==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-JAN-11 3QHX . COMPND 2 MOLECULE: CYSTATHIONINE GAMMA-SYNTHASE METB (CGS); . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ULCERANS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1493 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1035 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 85 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 464 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.4 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 0 0 1 11 0 4 7 5 8 4 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 8 0 8 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 . 15 0 4 4 12 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 0 4 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 12 A A 0 0 98 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -65.4 13.5 -4.6 -26.3 2 13 A G > - 0 0 20 1106,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.272 360.0-114.1 -68.7 157.5 14.7 -8.3 -25.9 3 14 A L H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 113.9 52.0 -64.6 -40.8 12.5 -11.0 -27.2 4 15 A A H > S+ 0 0 8 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.912 111.2 49.6 -60.0 -36.8 11.7 -12.6 -23.8 5 16 A T H >> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.936 111.0 48.1 -68.3 -40.3 10.8 -9.2 -22.5 6 17 A R H 3X S+ 0 0 51 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.898 105.3 58.0 -67.4 -38.1 8.5 -8.5 -25.5 7 18 A A H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.775 116.1 37.1 -58.8 -27.8 6.8 -11.9 -25.2 8 19 A I H << S+ 0 0 9 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.801 131.2 23.8 -91.5 -37.3 5.8 -10.9 -21.6 9 20 A H H < S+ 0 0 38 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.688 95.2 92.1-113.5 -23.5 5.1 -7.3 -22.0 10 21 A S S < S+ 0 0 37 -4,-2.8 2,-1.1 -5,-0.3 49,-0.1 -0.350 89.5 15.9 -79.7 156.9 4.1 -6.4 -25.6 11 22 A G S S+ 0 0 38 47,-0.2 2,-0.1 -2,-0.1 45,-0.1 -0.822 113.3 62.2 81.6-110.4 0.6 -6.4 -26.7 12 23 A Y - 0 0 51 -2,-1.1 11,-0.1 43,-0.3 3,-0.0 -0.315 61.5-169.7 -78.8 124.1 -1.3 -6.4 -23.4 13 24 A R - 0 0 68 -2,-0.1 6,-0.1 1,-0.1 -1,-0.1 -0.855 44.4 -88.8 -91.8 137.3 -0.8 -3.3 -21.2 14 25 A P - 0 0 28 0, 0.0 7,-0.2 0, 0.0 6,-0.1 -0.143 59.7 -92.9 -51.4 136.6 -2.3 -3.7 -17.7 15 26 A D > - 0 0 18 5,-1.1 4,-1.8 7,-0.2 3,-0.1 -0.067 22.9-140.8 -57.0 134.6 -5.9 -2.5 -17.9 16 27 A P T 4 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 1147,-0.1 0.904 100.0 46.7 -64.5 -35.2 -6.7 1.1 -17.1 17 28 A A T 4 S+ 0 0 59 1,-0.1 -2,-0.1 1145,-0.1 0, 0.0 0.835 136.5 4.3 -74.4 -34.5 -9.8 0.3 -15.2 18 29 A T T 4 S- 0 0 9 2,-0.1 1144,-0.3 1146,-0.1 3,-0.1 0.557 83.6-128.9-125.8 -18.4 -8.6 -2.6 -13.0 19 30 A G < + 0 0 0 -4,-1.8 1135,-3.1 1,-0.2 1133,-0.1 0.478 39.1 176.6 73.4 8.5 -4.9 -2.9 -13.6 20 31 A A B -A 1153 0A 0 1133,-0.3 -5,-1.1 1,-0.2 1133,-0.2 -0.154 25.6-145.5 -47.2 128.2 -5.3 -6.7 -14.3 21 32 A V S S+ 0 0 4 1131,-1.6 2,-0.3 -7,-0.2 -1,-0.2 0.745 78.2 55.2 -75.9 -23.7 -1.7 -7.9 -15.3 22 33 A N S S- 0 0 1 1130,-0.3 -7,-0.2 929,-0.2 -9,-0.1 -0.808 99.2 -95.2-109.0 152.2 -3.0 -10.4 -17.7 23 34 A A - 0 0 7 -2,-0.3 1126,-0.2 215,-0.1 -2,-0.1 -0.459 49.1-121.5 -59.9 122.6 -5.3 -10.1 -20.7 24 35 A P - 0 0 1 0, 0.0 2,-0.9 0, 0.0 1124,-0.2 -0.280 18.9-113.1 -63.8 157.0 -8.8 -10.9 -19.4 25 36 A I B -B 1147 0B 1 1122,-2.7 1122,-2.8 2,-0.1 2,-1.4 -0.820 30.4-156.7 -91.2 105.1 -10.7 -13.8 -21.1 26 37 A Y - 0 0 16 -2,-0.9 2,-1.9 1120,-0.2 26,-0.2 -0.667 13.8-178.3 -89.9 87.8 -13.6 -12.0 -22.8 27 38 A A + 0 0 2 -2,-1.4 2,-0.3 1118,-0.2 556,-0.1 -0.606 44.6 114.5 -89.0 73.2 -16.3 -14.7 -23.1 28 39 A S - 0 0 5 -2,-1.9 554,-0.3 1115,-0.1 553,-0.1 -0.970 50.7-164.0-139.9 131.7 -18.7 -12.3 -24.9 29 40 A S S S+ 0 0 0 552,-2.1 17,-2.4 -2,-0.3 18,-0.3 0.572 78.1 32.6 -88.9 -13.1 -19.8 -12.6 -28.5 30 41 A T B -C 45 0C 0 551,-0.6 1113,-1.6 15,-0.2 2,-0.4 -0.897 67.1-142.0-147.1 163.4 -21.0 -9.1 -28.7 31 42 A F B -D 1142 0D 0 13,-0.8 671,-0.5 -2,-0.3 1111,-0.3 -1.000 24.6-114.3-138.5 127.2 -20.3 -5.6 -27.3 32 43 A A - 0 0 5 1109,-3.1 8,-0.4 -2,-0.4 2,-0.3 -0.366 31.8-153.5 -61.6 142.8 -22.6 -2.8 -26.3 33 44 A Q - 0 0 20 667,-2.4 2,-0.7 6,-0.1 667,-0.3 -0.805 15.8-123.3-115.8 160.5 -22.5 0.4 -28.5 34 45 A D S S- 0 0 87 4,-2.9 4,-0.3 -2,-0.3 659,-0.1 -0.899 86.6 -22.1-107.0 113.0 -23.3 4.0 -27.5 35 46 A G S > S- 0 0 32 -2,-0.7 3,-2.3 658,-0.1 -1,-0.1 0.209 118.6 -47.4 52.1 159.3 -25.9 5.3 -29.9 36 47 A V T 3 S+ 0 0 41 1,-0.3 3,-0.1 653,-0.2 676,-0.0 -0.302 135.1 6.7 -71.0 123.9 -25.9 3.1 -33.1 37 48 A G T 3 S+ 0 0 54 1,-0.2 2,-1.9 -2,-0.1 -1,-0.3 0.501 86.4 128.6 83.0 1.9 -22.2 2.8 -34.4 38 49 A G < - 0 0 29 -3,-2.3 -4,-2.9 -4,-0.3 -1,-0.2 -0.635 49.4-164.2 -83.8 81.2 -20.6 4.5 -31.3 39 50 A L - 0 0 60 -2,-1.9 2,-0.7 -6,-0.2 -6,-0.1 -0.404 17.0-132.0 -69.0 147.8 -18.2 1.5 -30.8 40 51 A R B > S-E 43 0E 47 3,-0.6 3,-2.1 -8,-0.4 1099,-0.1 -0.876 88.6 -17.8 -96.7 113.5 -16.4 1.1 -27.6 41 52 A G T 3 S- 0 0 58 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.691 119.0 -69.4 63.0 17.2 -12.7 0.4 -28.3 42 53 A G T 3 S+ 0 0 54 1,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.461 98.1 140.7 80.5 4.7 -13.6 -0.5 -31.8 43 54 A Y B < +E 40 0E 35 -3,-2.1 -3,-0.6 1,-0.1 -1,-0.3 -0.597 7.3 141.3 -91.5 139.5 -15.4 -3.7 -30.7 44 55 A E + 0 0 67 5,-0.4 -13,-0.8 -2,-0.3 658,-0.5 0.565 68.6 6.9-142.2 -38.8 -18.6 -4.9 -32.3 45 56 A Y B >> -C 30 0C 8 4,-0.4 4,-1.9 -15,-0.2 3,-0.8 -0.933 65.0-127.7-158.5 132.9 -18.8 -8.7 -32.7 46 57 A A T 34 S+ 0 0 6 -17,-2.4 -16,-0.1 -2,-0.3 -1,-0.1 0.805 105.6 55.8 -64.4 -36.9 -16.3 -11.3 -31.5 47 58 A R T 34 S+ 0 0 3 -18,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.941 112.7 45.4 -54.9 -43.7 -15.7 -13.1 -34.7 48 59 A T T <4 S- 0 0 55 -3,-0.8 2,-0.3 1,-0.3 -2,-0.2 0.894 137.4 -32.5 -64.2 -42.9 -14.7 -9.7 -36.3 49 60 A G < - 0 0 18 -4,-1.9 -5,-0.4 177,-0.1 -4,-0.4 -0.861 57.6-177.5-176.0 144.6 -12.5 -8.8 -33.3 50 61 A N > - 0 0 10 -2,-0.3 4,-2.6 -3,-0.2 5,-0.2 -0.984 38.1-111.7-148.3 158.2 -12.4 -9.3 -29.5 51 62 A P H > S+ 0 0 15 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.826 113.9 51.0 -66.0 -32.8 -10.0 -8.0 -26.8 52 63 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.943 113.7 45.9 -71.3 -41.4 -8.4 -11.4 -25.9 53 64 A R H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.901 110.1 54.8 -65.3 -36.1 -7.7 -12.1 -29.6 54 65 A T H X S+ 0 0 57 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.896 107.5 49.1 -58.7 -48.0 -6.3 -8.6 -30.0 55 66 A A H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -43,-0.3 0.923 112.9 47.5 -59.3 -41.8 -3.9 -9.1 -27.2 56 67 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.920 111.3 50.4 -65.0 -44.9 -2.8 -12.4 -28.7 57 68 A E H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.877 110.5 50.3 -60.6 -40.8 -2.4 -10.9 -32.1 58 69 A A H X S+ 0 0 37 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.875 111.7 47.6 -65.8 -38.8 -0.3 -8.0 -30.7 59 70 A A H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.880 112.6 48.6 -68.4 -45.3 2.0 -10.4 -28.8 60 71 A L H X S+ 0 0 4 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.918 112.8 47.3 -60.5 -42.1 2.5 -12.6 -31.8 61 72 A A H ><>S+ 0 0 7 -4,-2.4 5,-3.1 1,-0.2 3,-0.6 0.920 110.3 54.2 -68.0 -45.1 3.3 -9.7 -34.1 62 73 A A H ><5S+ 0 0 19 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.888 105.6 51.4 -55.7 -45.7 5.7 -8.3 -31.4 63 74 A V H 3<5S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.713 113.6 43.8 -71.8 -17.7 7.8 -11.5 -31.2 64 75 A E T <<5S- 0 0 2 -4,-1.1 -1,-0.3 -3,-0.6 120,-0.2 0.226 113.2-118.4 -99.7 12.1 8.2 -11.6 -35.0 65 76 A D T < 5 + 0 0 119 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.877 67.2 149.2 47.4 42.1 9.0 -7.8 -35.1 66 77 A A < - 0 0 14 -5,-3.1 -1,-0.2 -6,-0.2 147,-0.2 -0.739 55.3-142.3-105.4 149.5 5.9 -7.6 -37.3 67 78 A A S S+ 0 0 61 -2,-0.3 2,-0.4 145,-0.3 146,-0.2 0.806 86.3 38.5 -77.7 -24.0 3.5 -4.7 -37.7 68 79 A F E -F 212 0F 47 144,-2.3 144,-1.9 -7,-0.1 2,-0.3 -0.974 60.0-177.3-136.7 139.3 0.4 -7.0 -38.0 69 80 A G E -F 211 0F 10 -2,-0.4 2,-0.3 142,-0.2 142,-0.2 -0.980 3.6-171.5-134.2 150.5 -0.8 -10.3 -36.5 70 81 A R E -F 210 0F 41 140,-2.1 140,-2.3 -2,-0.3 2,-0.3 -0.994 11.8-150.5-142.0 131.5 -3.8 -12.5 -37.0 71 82 A A E -F 209 0F 1 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.829 14.5-173.3-108.9 143.5 -4.9 -15.5 -34.9 72 83 A F E -F 208 0F 3 136,-2.5 136,-2.0 -2,-0.3 159,-0.3 -0.805 39.7-103.6-131.3 164.8 -6.8 -18.6 -36.1 73 84 A S S S- 0 0 4 157,-1.8 2,-0.3 -2,-0.3 158,-0.1 0.608 100.6 -6.3 -64.6 -17.6 -8.4 -21.7 -34.8 74 85 A S S > S- 0 0 0 156,-0.3 4,-1.9 532,-0.1 134,-0.5 -0.972 73.8 -99.5-164.8 162.3 -5.5 -23.9 -35.9 75 86 A G H > S+ 0 0 1 132,-0.7 4,-2.2 -2,-0.3 5,-0.2 0.905 123.6 54.9 -53.3 -43.5 -2.2 -23.8 -37.9 76 87 A M H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.868 103.9 52.6 -64.5 -32.3 -4.2 -25.2 -40.8 77 88 A A H > S+ 0 0 3 530,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.880 108.9 50.4 -69.2 -36.7 -6.7 -22.5 -40.7 78 89 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.915 112.1 47.9 -60.4 -42.4 -3.9 -19.9 -40.9 79 90 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.916 111.5 50.0 -62.0 -48.1 -2.5 -21.8 -43.9 80 91 A D H X S+ 0 0 10 -4,-2.8 4,-2.4 526,-0.2 5,-0.2 0.903 111.0 49.1 -56.0 -48.6 -6.0 -21.9 -45.5 81 92 A C H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.927 111.8 49.1 -61.1 -49.0 -6.4 -18.2 -45.0 82 93 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.938 113.5 46.2 -56.1 -49.4 -2.9 -17.5 -46.5 83 94 A L H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.947 115.1 45.6 -60.5 -46.0 -3.6 -19.6 -49.5 84 95 A R H < S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 114.3 50.0 -69.6 -29.3 -7.1 -18.1 -50.1 85 96 A A H < S+ 0 0 15 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.823 120.3 32.2 -72.3 -36.7 -5.8 -14.6 -49.6 86 97 A M H < S+ 0 0 21 -4,-1.8 2,-0.3 -3,-0.2 -2,-0.2 0.468 115.1 56.1-105.6 -7.9 -2.9 -14.8 -52.0 87 98 A L < + 0 0 0 -4,-1.6 29,-0.1 -5,-0.2 50,-0.0 -0.915 50.0 178.3-126.6 153.5 -4.1 -17.3 -54.7 88 99 A R > - 0 0 110 -2,-0.3 3,-2.3 27,-0.1 404,-0.1 -0.917 52.5 -61.6-140.3 167.6 -7.1 -17.5 -57.1 89 100 A P T 3 S+ 0 0 28 0, 0.0 27,-0.2 0, 0.0 26,-0.2 -0.187 125.0 30.7 -51.0 135.0 -8.0 -20.1 -59.8 90 101 A G T 3 S+ 0 0 48 25,-2.5 26,-0.1 1,-0.4 2,-0.1 0.186 97.1 114.0 98.3 -15.0 -5.4 -20.2 -62.5 91 102 A D < - 0 0 35 -3,-2.3 26,-2.3 46,-0.0 -1,-0.4 -0.372 53.2-140.9 -88.9 170.2 -2.6 -19.3 -60.1 92 103 A H E -gh 117 137F 0 44,-2.3 46,-2.3 24,-0.2 47,-1.1 -0.944 7.4-158.6-135.0 145.4 0.4 -21.4 -59.0 93 104 A V E -gh 118 139F 0 24,-2.2 26,-1.8 -2,-0.3 2,-0.5 -0.988 13.2-142.2-127.3 134.8 2.3 -22.1 -55.8 94 105 A V E -gh 119 140F 0 45,-2.1 47,-3.3 -2,-0.4 39,-0.0 -0.835 32.0-178.6 -91.3 132.9 5.9 -23.5 -55.4 95 106 A I E -g 120 0F 1 24,-2.3 26,-2.1 -2,-0.5 47,-0.1 -0.817 31.5 -87.2-129.1 163.5 6.0 -25.8 -52.4 96 107 A P E > -g 121 0F 0 0, 0.0 3,-0.7 0, 0.0 26,-0.2 -0.432 26.1-135.2 -68.2 149.2 8.5 -27.8 -50.5 97 108 A D T 3 S+ 0 0 31 24,-2.0 252,-2.7 1,-0.2 25,-0.1 0.598 108.3 36.7 -78.0 -6.8 9.1 -31.4 -51.7 98 109 A D T 3 S+ 0 0 13 23,-0.3 -1,-0.2 250,-0.2 51,-0.2 -0.369 88.4 159.1-140.2 55.7 9.0 -32.5 -48.1 99 110 A A < - 0 0 9 -3,-0.7 47,-0.1 1,-0.2 -4,-0.0 -0.294 56.7 -75.0 -74.2 159.8 6.3 -30.2 -46.6 100 111 A Y >> - 0 0 37 1,-0.1 4,-2.3 2,-0.1 3,-0.6 -0.292 49.3-123.0 -47.6 131.1 4.4 -30.8 -43.4 101 112 A G H 3> S+ 0 0 41 1,-0.3 4,-2.6 46,-0.3 5,-0.2 0.850 108.6 54.6 -58.2 -32.9 1.9 -33.5 -44.4 102 113 A G H 3> S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.848 108.9 48.1 -67.6 -41.5 -1.2 -31.3 -43.5 103 114 A T H <> S+ 0 0 2 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.949 113.7 47.0 -66.1 -45.4 -0.1 -28.4 -45.7 104 115 A F H X S+ 0 0 4 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.918 110.5 52.3 -62.5 -41.4 0.5 -30.7 -48.6 105 116 A R H X>S+ 0 0 64 -4,-2.6 4,-2.6 -5,-0.2 5,-0.6 0.926 109.4 49.7 -64.6 -38.8 -2.8 -32.5 -48.1 106 117 A L H X>S+ 0 0 2 -4,-2.1 5,-2.2 2,-0.2 4,-1.6 0.934 116.3 41.4 -64.3 -43.2 -4.7 -29.2 -48.2 107 118 A I H <>S+ 0 0 1 -4,-2.0 5,-1.3 3,-0.2 -2,-0.2 0.953 122.9 38.2 -71.9 -49.0 -3.0 -28.0 -51.3 108 119 A D H <5S+ 0 0 31 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.815 126.1 32.0 -75.1 -40.2 -3.1 -31.3 -53.2 109 120 A K H <5S+ 0 0 93 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.702 133.9 21.3 -92.3 -24.9 -6.5 -32.6 -52.2 110 121 A V T >< XS+ 0 0 6 -5,-2.2 5,-2.0 1,-0.3 3,-1.4 0.801 104.9 61.9 -62.5 -30.8 -6.8 -26.5 -53.7 112 123 A T G > - 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