==== 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 02-MAR-09 3GH2 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG,L.M.GIBSON,B.J.BELL,L.L.LOVELACE,L.LEBIODA . 276 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 15.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 1 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 0 2 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 7 X E 0 0 53 0, 0.0 189,-0.0 0, 0.0 193,-0.0 0.000 360.0 360.0 360.0 23.5 49.5 -14.5 35.4 2 8 X L + 0 0 0 2,-0.1 163,-0.1 1,-0.1 147,-0.0 0.706 360.0 1.4 -66.0 -27.9 50.5 -11.0 36.8 3 9 X P 0 0 1 0, 0.0 146,-0.1 0, 0.0 -1,-0.1 0.576 360.0 360.0-113.1 -60.1 53.8 -10.8 34.6 4 10 X R 0 0 44 147,-0.1 147,-0.1 160,-0.1 -2,-0.1 0.862 360.0 360.0 -61.8 360.0 53.8 -14.1 32.5 5 ! 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 6 26 X P 0 0 171 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 137.4 23.7 0.3 40.4 7 27 X P - 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.304 360.0-101.9 -62.5 135.3 24.5 -2.9 38.5 8 28 X H > - 0 0 45 1,-0.1 3,-1.5 233,-0.1 4,-0.3 -0.284 28.1-129.2 -44.2 129.0 27.1 -5.3 40.2 9 29 X G T >> S+ 0 0 15 1,-0.3 3,-1.7 2,-0.2 4,-0.6 0.777 102.7 71.2 -61.4 -26.3 30.5 -4.8 38.4 10 30 X E H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.746 80.4 75.5 -62.8 -24.7 30.9 -8.6 37.9 11 31 X L H <> S+ 0 0 88 -3,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.787 88.7 60.1 -54.7 -27.7 28.2 -8.3 35.3 12 32 X Q H <> S+ 0 0 66 -3,-1.7 4,-1.9 -4,-0.3 -1,-0.2 0.950 105.6 46.2 -62.2 -52.7 30.8 -6.8 33.0 13 33 X Y H X S+ 0 0 0 -4,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.932 113.5 47.6 -54.3 -50.0 32.9 -9.9 33.2 14 34 X L H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.923 111.3 52.2 -64.1 -37.5 30.0 -12.2 32.6 15 35 X G H X S+ 0 0 38 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.851 108.5 50.8 -66.4 -32.3 28.9 -10.1 29.7 16 36 X Q H X S+ 0 0 23 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.923 109.3 50.4 -70.9 -45.3 32.4 -10.3 28.2 17 37 X I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.959 112.1 48.5 -51.0 -49.9 32.3 -14.1 28.5 18 38 X Q H X S+ 0 0 65 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.909 109.7 51.6 -63.0 -39.2 29.0 -14.2 26.8 19 39 X H H X>S+ 0 0 87 -4,-2.1 4,-3.2 2,-0.2 5,-0.6 0.910 110.3 47.8 -63.8 -43.0 30.2 -11.9 24.0 20 40 X I H X5S+ 0 0 0 -4,-2.4 4,-2.5 3,-0.2 -2,-0.2 0.953 111.3 52.4 -66.3 -43.6 33.3 -14.1 23.3 21 41 X L H <5S+ 0 0 31 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.911 121.4 30.3 -55.3 -46.9 31.1 -17.2 23.3 22 42 X R H <5S+ 0 0 184 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.802 138.1 21.5 -83.3 -31.0 28.6 -15.8 20.7 23 43 X C H <5S+ 0 0 74 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.612 89.2 112.8-120.5 -18.8 30.9 -13.5 18.8 24 44 X G << - 0 0 17 -4,-2.5 2,-0.4 -5,-0.6 14,-0.2 -0.118 55.5-137.2 -52.3 154.1 34.5 -14.7 19.3 25 45 X V E -A 37 0A 103 12,-2.3 12,-2.6 2,-0.0 2,-0.3 -0.879 26.5 -96.7-115.8 146.8 36.4 -16.1 16.3 26 46 X R E +A 36 0A 153 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.488 52.7 161.9 -61.8 128.2 38.6 -19.2 16.3 27 47 X K E -A 35 0A 110 8,-1.6 8,-0.8 -2,-0.3 2,-0.2 -0.971 32.1-124.7-153.4 131.0 42.3 -18.3 16.7 28 48 X D E -A 34 0A 97 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.452 17.8-140.7 -78.2 142.5 45.3 -20.4 17.8 29 49 X D > - 0 0 44 4,-2.4 3,-1.6 -2,-0.2 -1,-0.1 -0.236 44.8 -76.3 -84.0-173.2 47.7 -19.5 20.6 30 50 X R T 3 S+ 0 0 132 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.764 133.5 46.7 -49.4 -38.4 51.6 -20.0 20.6 31 51 X T T 3 S- 0 0 87 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.447 121.3-105.4 -92.2 -4.7 51.3 -23.7 21.1 32 52 X G S < S+ 0 0 48 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.600 72.2 147.0 88.3 11.5 48.6 -24.2 18.4 33 53 X T - 0 0 67 1,-0.1 -4,-2.4 -6,-0.0 -1,-0.3 -0.698 49.8-111.7 -80.6 133.8 45.9 -24.6 21.0 34 54 X G E +A 28 0A 10 -2,-0.4 193,-1.7 -6,-0.2 2,-0.3 -0.276 38.5 171.9 -77.2 145.2 42.4 -23.3 20.0 35 55 X T E -AB 27 226A 3 -8,-0.8 -8,-1.6 191,-0.2 2,-0.5 -0.940 35.6-123.0-136.9 156.3 40.7 -20.3 21.5 36 56 X L E -AB 26 225A 26 189,-3.4 189,-3.1 -2,-0.3 2,-0.4 -0.980 44.8-167.4 -99.2 131.2 37.6 -18.2 20.9 37 57 X S E -AB 25 224A 15 -12,-2.6 -12,-2.3 -2,-0.5 2,-0.4 -0.942 27.0-177.2-128.6 138.3 38.9 -14.6 20.6 38 58 X V E - B 0 223A 22 185,-2.6 185,-2.7 -2,-0.4 2,-0.7 -0.999 26.3-133.1-124.8 136.5 37.7 -11.0 20.5 39 59 X F E S+ B 0 222A 166 -2,-0.4 183,-0.2 183,-0.2 182,-0.1 -0.746 73.8 12.4 -91.8 109.7 40.1 -8.0 19.9 40 60 X G E + 0 0 45 181,-2.8 2,-0.3 -2,-0.7 181,-0.2 0.758 64.7 161.4 104.6 104.9 39.7 -5.0 22.3 41 61 X M E - B 0 220A 20 179,-1.6 179,-2.0 -3,-0.1 2,-0.3 -0.962 12.2-170.5-151.8 153.3 37.6 -5.0 25.6 42 62 X Q E + B 0 219A 109 -2,-0.3 2,-0.3 177,-0.2 177,-0.2 -0.958 4.1 179.6-147.8 149.8 37.4 -2.9 28.8 43 63 X A E - B 0 218A 3 175,-1.7 175,-2.6 -2,-0.3 2,-0.4 -0.968 15.2-145.8-144.7 149.7 35.6 -3.1 32.2 44 64 X R E - B 0 217A 126 -2,-0.3 2,-0.4 173,-0.2 173,-0.2 -0.986 11.5-172.4-119.4 136.9 35.6 -0.8 35.2 45 65 X Y E - B 0 216A 3 171,-3.1 171,-2.8 -2,-0.4 2,-0.2 -0.976 21.0-131.1-127.7 128.2 35.4 -2.0 38.8 46 66 X S E - B 0 215A 33 -2,-0.4 169,-0.3 169,-0.2 168,-0.1 -0.558 14.1-169.3 -75.9 145.6 34.9 0.4 41.7 47 67 X L + 0 0 0 167,-3.1 2,-0.8 -2,-0.2 168,-0.2 0.175 47.6 123.6-107.9 9.4 37.3 -0.0 44.7 48 68 X R S S- 0 0 89 166,-0.3 166,-0.1 1,-0.3 -2,-0.1 -0.672 97.2 -26.9 -85.0 113.2 35.3 2.3 46.9 49 69 X D S S+ 0 0 136 -2,-0.8 2,-0.3 164,-0.1 -1,-0.3 0.565 132.3 66.3 60.4 12.1 34.3 0.5 50.0 50 70 X E - 0 0 62 -3,-0.2 196,-0.2 196,-0.1 -1,-0.1 -0.970 69.7-136.0-151.2 169.2 34.4 -2.9 48.2 51 71 X F - 0 0 0 194,-2.5 2,-2.8 -2,-0.3 -4,-0.1 -0.989 22.3-126.2-135.1 122.7 37.0 -5.2 46.5 52 72 X P + 0 0 0 0, 0.0 2,-0.7 0, 0.0 147,-0.1 -0.291 48.6 150.1 -76.7 58.4 36.4 -6.9 43.2 53 73 X L - 0 0 0 -2,-2.8 -2,-0.1 192,-0.1 140,-0.1 -0.869 56.5-113.7 -81.1 109.7 37.1 -10.6 44.2 54 74 X L - 0 0 0 -2,-0.7 5,-0.5 138,-0.3 3,-0.1 -0.098 28.6-165.0 -53.7 142.8 34.8 -12.4 41.7 55 75 X T S S+ 0 0 0 187,-0.1 217,-2.8 1,-0.1 -1,-0.1 0.552 72.4 80.3-109.7 -15.2 31.8 -14.2 43.3 56 76 X T S S+ 0 0 0 215,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.579 112.7 13.5 -72.3 -11.8 30.5 -16.4 40.5 57 77 X K S S- 0 0 15 215,-0.1 2,-0.4 -3,-0.1 217,-0.2 -0.928 96.9 -95.3-150.5 149.5 33.4 -18.9 41.3 58 78 X R - 0 0 133 214,-0.4 2,-0.3 -2,-0.3 217,-0.3 -0.547 42.2-148.5 -66.9 119.5 35.7 -19.0 44.4 59 79 X V - 0 0 10 -5,-0.5 2,-2.1 -2,-0.4 3,-0.2 -0.749 23.2-112.3 -91.7 140.1 38.9 -17.1 43.4 60 80 X F > + 0 0 144 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 -0.492 47.0 169.3 -75.0 78.4 42.2 -18.2 45.0 61 81 X W H > S+ 0 0 18 -2,-2.1 4,-2.6 1,-0.2 5,-0.2 0.896 71.6 54.7 -62.7 -49.2 42.7 -15.0 47.1 62 82 X K H > S+ 0 0 132 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.867 110.4 48.5 -59.6 -29.8 45.5 -16.4 49.3 63 83 X G H > S+ 0 0 14 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.885 108.7 52.2 -75.5 -41.7 47.4 -17.2 46.0 64 84 X V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.955 113.4 45.8 -51.5 -52.0 46.7 -13.7 44.6 65 85 X L H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.930 113.8 46.5 -60.1 -51.6 48.1 -12.2 47.7 66 86 X E H X S+ 0 0 90 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.848 112.4 49.8 -67.2 -35.0 51.3 -14.4 48.0 67 87 X E H X S+ 0 0 35 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.897 111.1 49.3 -70.5 -39.2 52.3 -14.1 44.4 68 88 X L H X S+ 0 0 1 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.920 109.4 51.5 -65.4 -44.2 52.0 -10.2 44.5 69 89 X L H X S+ 0 0 26 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.868 109.9 50.3 -61.2 -34.5 54.1 -10.0 47.6 70 90 X W H <>S+ 0 0 15 -4,-1.4 5,-1.8 2,-0.2 4,-0.4 0.896 111.7 47.9 -66.9 -41.8 56.7 -12.2 45.9 71 91 X F H ><5S+ 0 0 3 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.935 109.5 53.1 -62.2 -46.7 56.7 -9.8 42.8 72 92 X I H 3<5S+ 0 0 5 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 104.7 54.9 -56.2 -40.0 56.9 -6.8 45.1 73 93 X K T 3<5S- 0 0 131 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.598 111.6-124.5 -70.2 -13.4 60.1 -8.3 46.8 74 94 X G T < 5 + 0 0 8 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.824 45.7 179.3 75.4 32.0 61.6 -8.6 43.3 75 95 X S < + 0 0 8 -5,-1.8 29,-0.4 1,-0.1 30,-0.4 -0.345 34.8 173.5 -80.9 147.3 62.3 -12.3 43.6 76 96 X T + 0 0 5 41,-0.3 23,-2.9 28,-0.1 2,-0.8 0.150 59.3 101.1-124.8 4.2 63.9 -14.7 41.0 77 97 X N B > -F 98 0B 15 40,-0.2 3,-1.9 21,-0.2 21,-0.2 -0.835 54.7-166.9 -91.5 98.7 64.0 -17.6 43.4 78 98 X A G > S+ 0 0 38 19,-2.6 3,-1.5 -2,-0.8 -1,-0.1 0.806 85.2 68.3 -56.2 -31.2 61.0 -19.9 42.5 79 99 X K G 3 S+ 0 0 186 1,-0.3 -1,-0.3 17,-0.2 18,-0.1 0.699 86.2 68.2 -60.5 -25.1 61.5 -21.7 45.9 80 100 X E G < 0 0 98 -3,-1.9 -1,-0.3 17,-0.2 -2,-0.2 0.324 360.0 360.0 -76.5 11.3 60.4 -18.5 47.7 81 101 X L < 0 0 116 -3,-1.5 -2,-0.1 -11,-0.0 -3,-0.1 0.158 360.0 360.0-140.0 360.0 56.8 -19.1 46.3 82 ! 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 83 115 X R 0 0 203 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 45.4 57.4 -22.8 30.5 84 116 X D > + 0 0 85 2,-0.1 3,-1.1 1,-0.1 4,-0.1 0.618 360.0 67.4-101.4 -30.2 59.5 -22.4 27.3 85 117 X F G > S+ 0 0 19 1,-0.2 3,-1.7 2,-0.2 4,-0.2 0.704 85.1 73.1 -62.5 -21.1 61.8 -19.8 28.8 86 118 X L G > S+ 0 0 21 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.823 82.8 71.8 -63.6 -31.6 63.1 -22.6 31.1 87 119 X D G < S+ 0 0 126 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.555 93.0 54.3 -52.2 -18.7 64.9 -23.8 27.8 88 120 X S G < S+ 0 0 88 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.3 0.414 90.3 96.0-103.9 -1.4 67.3 -20.9 28.1 89 121 X L S < S- 0 0 34 -3,-1.8 10,-0.0 -4,-0.2 11,-0.0 -0.682 76.4-116.7 -87.6 142.3 68.4 -21.7 31.6 90 122 X G > - 0 0 42 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.226 27.7-109.7 -64.6 166.2 71.6 -23.7 32.5 91 123 X F H > S+ 0 0 168 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.916 112.5 45.9 -66.4 -51.6 71.4 -27.1 34.3 92 124 X S H >> S+ 0 0 85 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.913 113.2 49.0 -60.0 -49.0 72.8 -26.0 37.7 93 125 X T H 34>S+ 0 0 54 1,-0.2 5,-2.2 2,-0.2 4,-0.3 0.839 106.7 51.4 -70.1 -39.2 70.8 -22.9 38.0 94 126 X R H 3<5S+ 0 0 101 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.586 104.4 62.2 -78.9 -6.7 67.2 -24.2 37.3 95 127 X E H <<5S+ 0 0 138 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.964 104.6 44.4 -61.0 -64.5 67.8 -26.9 39.9 96 128 X E T <5S- 0 0 94 -4,-1.2 -17,-0.2 1,-0.1 -2,-0.2 0.347 125.1-101.4 -69.8 -2.0 68.2 -24.5 42.7 97 129 X G T 5 + 0 0 13 -4,-0.3 -19,-2.6 1,-0.2 2,-0.6 0.568 66.2 155.6 90.9 13.5 65.2 -22.5 41.5 98 130 X D B < -F 77 0B 6 -5,-2.2 -1,-0.2 -21,-0.2 -21,-0.2 -0.629 18.7-177.6 -77.6 114.2 67.0 -19.6 39.8 99 131 X L - 0 0 10 -23,-2.9 -1,-0.1 -2,-0.6 -22,-0.1 0.570 34.4-128.9 -89.3 -9.5 64.7 -18.1 37.1 100 132 X G - 0 0 8 -24,-0.3 2,-1.7 -7,-0.1 -1,-0.3 -0.336 62.7 -23.3 81.9-173.6 67.1 -15.5 35.8 101 133 X P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.512 101.7 123.4 -75.1 84.6 66.2 -11.8 35.4 102 134 X V > - 0 0 7 -2,-1.7 3,-1.3 -28,-0.1 2,-0.1 -0.906 52.8 -0.0-142.7 159.3 62.4 -12.3 35.2 103 135 X Y T >> S+ 0 0 31 47,-0.4 3,-2.0 -2,-0.3 4,-0.8 -0.339 127.5 10.0 63.1-127.4 59.0 -11.2 36.9 104 136 X G H 3> S+ 0 0 0 -29,-0.4 4,-2.4 1,-0.3 5,-0.3 0.629 115.3 79.4 -60.1 -14.9 59.3 -8.7 39.9 105 137 X F H <> S+ 0 0 3 -3,-1.3 4,-2.9 -30,-0.4 -1,-0.3 0.901 95.5 47.0 -59.2 -37.6 62.9 -8.3 38.9 106 138 X Q H <> S+ 0 0 9 -3,-2.0 4,-0.5 2,-0.2 22,-0.4 0.837 109.8 51.9 -72.8 -32.9 61.5 -6.0 36.2 107 139 X W H < S+ 0 0 2 -4,-0.8 22,-2.1 2,-0.1 21,-0.7 0.872 126.9 22.4 -64.7 -39.0 59.3 -4.2 38.7 108 140 X R H < S+ 0 0 18 -4,-2.4 -2,-0.2 19,-0.2 -3,-0.2 0.661 137.9 21.7-105.3 -22.9 62.2 -3.5 41.1 109 141 X H H >< S- 0 0 34 -4,-2.9 3,-1.6 -5,-0.3 2,-0.2 -0.249 71.6-178.2-142.4 49.8 65.5 -3.7 39.1 110 142 X F B 3< S+G 126 0C 78 16,-2.4 16,-2.2 -4,-0.5 -4,-0.1 -0.346 74.4 2.2 -60.6 118.1 64.6 -3.1 35.4 111 143 X G T 3 S+ 0 0 59 1,-0.3 -1,-0.2 -2,-0.2 14,-0.2 0.288 88.4 144.2 94.6 -10.5 67.7 -3.4 33.3 112 144 X A < - 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