==== 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 18-JAN-07 2OLC . COMPND 2 MOLECULE: METHYLTHIORIBOSE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.Y.KU,G.D.SMITH,P.L.HOWELL . 752 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 555 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 24 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 2 0 1 1 2 0 6 1 1 1 0 3 2 2 0 0 0 2 0 0 0 2 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 5 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 5 A K 0 0 161 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-148.2 44.4 15.5 10.7 2 6 A T - 0 0 131 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.287 360.0 -82.0 -80.1 162.3 45.9 18.6 9.0 3 7 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 88,-0.0 -0.455 39.3-161.5 -62.7 134.2 49.6 19.7 8.9 4 8 A L + 0 0 66 -2,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.559 48.4 111.9-103.7 -9.1 50.3 21.6 12.2 5 9 A Y + 0 0 58 85,-0.0 2,-0.3 88,-0.0 87,-0.1 -0.499 35.0 166.4 -69.3 129.1 53.5 23.6 11.4 6 10 A E - 0 0 56 -2,-0.3 2,-0.1 86,-0.1 -2,-0.0 -0.981 39.2-112.8-141.1 131.3 53.1 27.4 11.3 7 11 A T - 0 0 72 -2,-0.3 2,-0.1 1,-0.1 46,-0.1 -0.385 37.3-131.8 -57.4 131.4 55.9 30.0 11.3 8 12 A L - 0 0 19 84,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.456 19.9-166.8 -81.7 157.6 55.9 32.0 14.5 9 13 A N > - 0 0 81 -2,-0.1 4,-2.4 28,-0.0 5,-0.2 -0.777 45.3 -85.8-126.2-178.5 56.0 35.8 14.8 10 14 A E H > S+ 0 0 90 -2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.838 127.8 46.2 -57.2 -34.8 56.7 38.0 17.9 11 15 A S H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.961 114.5 42.9 -72.6 -55.0 52.9 38.0 18.8 12 16 A S H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.787 111.4 57.7 -64.9 -27.7 52.3 34.2 18.4 13 17 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.920 109.2 44.5 -64.9 -45.7 55.6 33.5 20.2 14 18 A V H X S+ 0 0 32 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.927 111.3 54.3 -61.8 -45.0 54.3 35.6 23.2 15 19 A A H X S+ 0 0 62 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.882 109.2 48.2 -56.5 -41.7 50.9 33.8 22.9 16 20 A L H X S+ 0 0 37 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.905 107.8 54.5 -66.2 -42.9 52.6 30.4 23.1 17 21 A A H <>S+ 0 0 5 -4,-2.0 5,-2.1 1,-0.2 -2,-0.2 0.903 113.6 41.8 -59.2 -42.1 54.7 31.4 26.1 18 22 A V H ><5S+ 0 0 92 -4,-2.2 3,-2.0 3,-0.2 -2,-0.2 0.907 110.4 55.9 -70.4 -43.4 51.6 32.4 28.1 19 23 A K H 3<5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.807 106.0 53.8 -56.3 -31.3 49.6 29.3 26.9 20 24 A L T 3<5S- 0 0 56 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.524 114.4-123.5 -78.4 -10.1 52.5 27.3 28.3 21 25 A G T < 5 0 0 68 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.683 360.0 360.0 75.3 21.6 52.0 29.1 31.6 22 26 A L < 0 0 109 -5,-2.1 -1,-0.2 25,-0.0 25,-0.1 -0.142 360.0 360.0 -94.3 360.0 55.6 30.3 31.7 23 ! 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 24 32 A T 0 0 160 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.1 52.9 42.4 30.1 25 33 A L - 0 0 57 18,-0.1 2,-0.4 16,-0.0 18,-0.2 -0.767 360.0-153.8-116.5 151.5 55.6 41.0 27.8 26 34 A T E -A 42 0A 95 16,-1.5 16,-2.3 -2,-0.3 2,-0.4 -0.964 13.7-161.5-120.4 142.2 57.9 42.3 25.0 27 35 A C E +A 41 0A 30 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.985 12.3 174.6-128.7 132.6 59.3 40.2 22.2 28 36 A Q E -A 40 0A 50 12,-2.0 12,-3.0 -2,-0.4 2,-0.6 -1.000 28.8-132.7-130.9 133.1 62.2 40.6 19.8 29 37 A E E +A 39 0A 66 -2,-0.4 10,-0.2 10,-0.2 -19,-0.0 -0.779 30.9 171.0 -82.4 122.1 63.5 38.1 17.2 30 38 A I + 0 0 89 8,-3.1 9,-0.1 -2,-0.6 -1,-0.1 0.207 19.4 139.5-123.5 10.8 67.2 38.1 17.7 31 39 A G - 0 0 26 7,-0.6 6,-0.0 1,-0.1 -2,-0.0 -0.225 38.3-158.4 -61.3 148.4 68.4 35.1 15.6 32 40 A D S S+ 0 0 170 5,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.448 71.2 64.8-108.3 -7.3 71.6 35.5 13.5 33 41 A G S S- 0 0 48 3,-0.3 3,-0.0 1,-0.0 -2,-0.0 -0.596 75.6-131.8-104.3 172.0 71.0 32.7 10.9 34 42 A N S S+ 0 0 142 -2,-0.2 3,-0.1 1,-0.1 21,-0.1 0.384 99.2 63.6-104.2 7.5 68.3 32.5 8.3 35 43 A L S S+ 0 0 41 1,-0.1 18,-2.8 17,-0.1 2,-0.3 0.459 105.8 39.1-106.1 -5.8 67.2 28.9 9.1 36 44 A N E - B 0 52A 21 16,-0.3 2,-0.4 2,-0.0 -3,-0.3 -0.995 65.2-144.2-139.6 146.0 65.9 29.6 12.6 37 45 A Y E - B 0 51A 79 14,-2.8 14,-2.4 -2,-0.3 2,-0.5 -0.884 13.5-161.8 -99.1 143.8 64.0 32.3 14.4 38 46 A V E - B 0 50A 31 -2,-0.4 -8,-3.1 12,-0.2 -7,-0.6 -0.960 6.9-161.7-126.7 111.3 65.1 33.0 18.0 39 47 A F E -AB 29 49A 4 10,-3.3 10,-2.4 -2,-0.5 2,-0.5 -0.843 3.1-157.8 -98.3 120.8 62.4 34.9 20.0 40 48 A H E -AB 28 48A 36 -12,-3.0 -12,-2.0 -2,-0.5 2,-0.4 -0.869 11.0-169.5 -97.5 125.4 63.5 36.7 23.2 41 49 A I E -AB 27 47A 6 6,-2.7 6,-2.1 -2,-0.5 2,-0.4 -0.974 5.2-165.5-122.7 127.0 60.5 37.3 25.6 42 50 A Y E AB 26 46A 116 -16,-2.3 -16,-1.5 -2,-0.4 4,-0.2 -0.937 360.0 360.0-127.5 137.5 60.9 39.6 28.6 43 51 A D 0 0 105 2,-3.0 -18,-0.1 -2,-0.4 3,-0.1 0.060 360.0 360.0 73.1 360.0 59.0 40.3 31.8 44 ! 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 45 56 A R 0 0 111 0, 0.0 -2,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.9 62.2 37.0 34.1 46 57 A A E -B 42 0A 33 -4,-0.2 53,-0.5 -3,-0.1 2,-0.3 -0.876 360.0-161.2-138.6 170.4 62.9 36.1 30.4 47 58 A L E -B 41 0A 17 -6,-2.1 -6,-2.7 -2,-0.3 2,-0.4 -0.989 10.6-141.3-153.7 150.2 62.5 33.3 27.9 48 59 A I E -BC 40 97A 14 49,-2.3 49,-2.8 -2,-0.3 2,-0.5 -0.974 10.5-170.9-119.5 132.3 63.8 32.1 24.6 49 60 A I E -BC 39 96A 2 -10,-2.4 -10,-3.3 -2,-0.4 2,-0.4 -0.975 7.8-169.3-120.0 115.2 61.7 30.4 21.9 50 61 A K E -BC 38 95A 19 45,-2.8 45,-2.2 -2,-0.5 2,-0.4 -0.837 5.2-176.7-101.1 139.7 63.7 28.9 18.9 51 62 A Q E -BC 37 94A 0 -14,-2.4 -14,-2.8 -2,-0.4 2,-0.2 -0.990 23.4-127.3-137.4 133.1 61.9 27.7 15.8 52 63 A A E -B 36 0A 1 41,-1.8 -16,-0.3 -2,-0.4 9,-0.1 -0.529 21.3-144.8 -73.8 139.6 63.2 26.0 12.7 53 64 A V - 0 0 14 -18,-2.8 6,-0.2 -2,-0.2 -19,-0.0 -0.890 5.4-150.1-104.1 134.2 62.2 27.7 9.3 54 65 A P 0 0 62 0, 0.0 5,-0.6 0, 0.0 -1,-0.1 0.821 360.0 360.0 -70.0 -28.1 61.6 25.4 6.3 55 66 A Y 0 0 105 3,-0.1 -20,-0.0 -21,-0.1 -21,-0.0 0.916 360.0 360.0 75.1 360.0 62.7 28.1 3.9 56 ! 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 57 74 A W 0 0 125 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.6 70.7 25.2 1.7 58 75 A P - 0 0 101 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.524 360.0-177.8 -72.2 135.5 67.1 24.0 2.2 59 76 A L - 0 0 10 -5,-0.6 -6,-0.0 -6,-0.2 97,-0.0 -0.987 25.6-115.3-142.6 128.9 66.8 21.9 5.5 60 77 A T > - 0 0 67 -2,-0.4 3,-0.8 1,-0.1 -7,-0.1 -0.064 24.8-120.2 -58.9 160.3 63.9 20.1 7.0 61 78 A I T > S+ 0 0 43 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.432 94.2 97.3 -82.0 1.6 62.5 21.3 10.3 62 79 A D T >> + 0 0 67 1,-0.3 4,-1.4 2,-0.2 3,-1.0 0.742 65.3 74.9 -60.2 -27.8 63.3 17.8 11.7 63 80 A R H <> S+ 0 0 2 -3,-0.8 4,-3.0 1,-0.3 -1,-0.3 0.756 85.5 63.5 -58.3 -27.9 66.5 19.3 13.2 64 81 A A H <> S+ 0 0 4 -3,-1.6 4,-2.5 2,-0.2 -1,-0.3 0.847 100.6 51.7 -65.6 -36.7 64.4 21.0 15.9 65 82 A R H <> S+ 0 0 61 -3,-1.0 4,-2.0 -4,-0.4 -2,-0.2 0.907 112.8 45.5 -61.8 -48.4 63.5 17.5 17.1 66 83 A I H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.940 113.7 49.0 -57.3 -51.7 67.2 16.6 17.3 67 84 A E H X S+ 0 0 4 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.913 111.9 47.3 -60.9 -49.5 68.2 19.8 18.9 68 85 A S H X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.942 117.3 42.8 -55.1 -50.9 65.5 19.7 21.7 69 86 A S H X S+ 0 0 23 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.843 113.8 51.7 -70.3 -33.1 66.3 16.0 22.5 70 87 A A H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.909 110.2 49.4 -65.4 -44.1 70.1 16.6 22.3 71 88 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.895 111.8 48.3 -59.7 -44.4 69.8 19.6 24.7 72 89 A I H X S+ 0 0 75 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.910 112.2 48.9 -64.8 -43.7 67.7 17.5 27.2 73 90 A R H < S+ 0 0 38 -4,-2.0 4,-0.5 2,-0.2 3,-0.4 0.856 111.4 49.0 -62.8 -40.8 70.2 14.6 27.0 74 91 A Q H >X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 3,-1.5 0.930 107.0 58.1 -63.9 -44.4 73.1 16.9 27.6 75 92 A G H 3< S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.679 92.4 67.7 -59.0 -23.4 71.3 18.5 30.5 76 93 A E T 3< S+ 0 0 118 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.794 118.1 21.2 -67.3 -26.9 71.0 15.1 32.3 77 94 A H T <4 S+ 0 0 59 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.1 0.738 140.2 24.5-113.8 -36.7 74.7 15.0 32.9 78 95 A V >< + 0 0 0 -4,-2.6 3,-1.8 -5,-0.1 4,-0.2 -0.524 65.2 156.8-127.5 64.7 75.9 18.6 32.6 79 96 A P G > S+ 0 0 76 0, 0.0 3,-0.7 0, 0.0 -4,-0.1 0.787 75.6 57.9 -62.1 -25.0 72.7 20.8 33.4 80 97 A H G 3 S+ 0 0 88 1,-0.2 149,-0.3 -3,-0.1 -5,-0.1 0.524 105.0 51.3 -80.1 -6.7 74.9 23.7 34.4 81 98 A L G < S+ 0 0 4 -3,-1.8 150,-3.0 -7,-0.1 -1,-0.2 0.255 108.1 49.0-116.0 8.6 76.6 23.8 31.0 82 99 A V S < S- 0 0 3 -3,-0.7 2,-0.2 148,-0.3 150,-0.1 -0.973 92.2 -93.6-143.0 152.3 73.5 23.8 28.7 83 100 A P - 0 0 1 0, 0.0 -8,-0.1 0, 0.0 2,-0.1 -0.492 45.0-110.7 -68.3 137.9 70.4 25.9 28.7 84 101 A R - 0 0 152 -2,-0.2 14,-2.5 15,-0.1 2,-0.5 -0.440 27.5-138.6 -61.5 140.0 67.4 24.4 30.5 85 102 A V E +D 97 0A 37 12,-0.2 12,-0.3 1,-0.1 3,-0.1 -0.911 23.0 177.2-105.8 128.8 64.6 23.3 28.2 86 103 A F E - 0 0 74 10,-3.1 2,-0.3 -2,-0.5 11,-0.2 0.706 67.5 -5.0-101.3 -25.6 61.0 24.1 29.4 87 104 A Y E -D 96 0A 94 9,-1.4 9,-3.2 2,-0.0 -1,-0.4 -0.962 58.0-174.5-166.0 144.9 59.0 22.8 26.4 88 105 A S E -D 95 0A 46 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.984 3.6-172.4-144.5 156.8 59.5 21.4 23.0 89 106 A D E >> -D 94 0A 54 5,-2.1 5,-2.1 -2,-0.3 4,-0.8 -0.891 12.4-162.0-150.2 119.8 57.3 20.4 20.1 90 107 A T T 45S+ 0 0 89 -2,-0.3 -25,-0.2 3,-0.2 -26,-0.1 0.889 91.3 55.5 -71.1 -40.5 58.5 18.6 17.0 91 108 A E T 45S+ 0 0 48 1,-0.2 -1,-0.2 2,-0.1 -30,-0.1 0.911 117.7 34.4 -56.9 -48.5 55.4 19.5 14.8 92 109 A M T 45S- 0 0 45 -87,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.594 107.2-130.9 -80.5 -10.9 55.8 23.2 15.4 93 110 A A T <5 + 0 0 0 -4,-0.8 -41,-1.8 1,-0.2 2,-0.4 0.895 55.7 147.2 61.3 44.5 59.6 22.7 15.4 94 111 A V E < -CD 51 89A 11 -5,-2.1 -5,-2.1 -43,-0.2 2,-0.4 -0.878 36.9-170.9-117.9 141.7 60.0 24.7 18.6 95 112 A T E -CD 50 88A 2 -45,-2.2 -45,-2.8 -2,-0.4 2,-0.6 -0.990 11.1-159.4-124.7 121.5 62.4 24.6 21.6 96 113 A V E +CD 49 87A 3 -9,-3.2 -10,-3.1 -2,-0.4 -9,-1.4 -0.913 31.0 161.7-100.6 121.4 61.5 26.8 24.6 97 114 A M E -CD 48 85A 15 -49,-2.8 -49,-2.3 -2,-0.6 -12,-0.2 -0.814 40.2 -65.8-140.1 169.5 64.6 27.4 26.7 98 115 A E - 0 0 56 -14,-2.5 2,-0.4 -2,-0.3 -51,-0.2 -0.308 50.3-117.4 -56.8 134.5 66.5 29.4 29.3 99 116 A D + 0 0 34 -53,-0.5 3,-0.1 1,-0.1 -1,-0.1 -0.622 33.1 174.7 -72.6 130.0 67.4 32.9 28.4 100 117 A L > + 0 0 7 -2,-0.4 3,-1.9 1,-0.1 -1,-0.1 -0.035 34.6 127.3-126.6 33.3 71.2 33.4 28.4 101 118 A S T 3 + 0 0 62 1,-0.3 -1,-0.1 122,-0.0 -2,-0.0 0.615 63.7 70.7 -67.6 -13.1 71.3 37.0 27.1 102 119 A H T 3 S+ 0 0 115 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.442 95.3 71.6 -79.2 -1.6 73.6 38.0 30.1 103 120 A L S < S- 0 0 15 -3,-1.9 2,-0.4 122,-0.1 122,-0.2 -0.701 77.7-131.6-111.4 165.0 76.3 36.0 28.3 104 121 A K E -E 224 0B 79 120,-2.3 120,-3.2 -2,-0.2 2,-0.1 -0.921 30.5-100.7-118.0 142.4 78.3 36.6 25.2 105 122 A I E > -E 223 0B 51 -2,-0.4 4,-2.4 118,-0.2 3,-0.3 -0.451 36.6-129.7 -58.0 130.3 79.0 34.3 22.3 106 123 A A H > S+ 0 0 0 116,-3.2 4,-2.7 113,-0.4 114,-0.2 0.827 103.4 53.8 -59.1 -38.8 82.5 33.0 22.9 107 124 A R H > S+ 0 0 25 112,-1.7 4,-2.2 115,-0.3 -1,-0.2 0.920 111.1 46.7 -60.8 -46.5 83.9 33.7 19.5 108 125 A K H > S+ 0 0 124 -3,-0.3 4,-1.7 111,-0.2 -2,-0.2 0.951 114.4 46.7 -59.5 -52.7 82.8 37.4 19.7 109 126 A G H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 4,-0.3 0.870 111.4 51.6 -57.8 -41.0 84.2 37.8 23.2 110 127 A L H ><5S+ 0 0 1 -4,-2.7 3,-1.0 3,-0.2 -1,-0.2 0.896 109.3 49.4 -64.6 -41.9 87.5 36.1 22.2 111 128 A I H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.7 55.2 -66.4 -32.2 88.0 38.4 19.2 112 129 A E T 3<5S- 0 0 103 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.543 128.3-102.1 -73.9 -10.5 87.2 41.4 21.5 113 130 A G T < 5S+ 0 0 37 -3,-1.0 -3,-0.2 1,-0.3 2,-0.2 0.554 70.0 149.5 96.8 8.9 90.1 40.1 23.7 114 131 A E < - 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