==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-MAY-07 2PU0 . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR M.V.A.S.NAVARRO,D.J.RIGDEN,R.C.GARRATT,S.M.G.DIAS . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 1 1 0 0 0 4 1 1 1 1 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 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 PARALLEL BRIDGES PER LADDER . 2 2 0 1 1 1 0 1 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 . 1 2 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 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 -1 A S > 0 0 125 0, 0.0 3,-1.0 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 -20.6 5.4 69.4 42.5 2 0 A H T 3 + 0 0 129 1,-0.2 27,-0.4 26,-0.1 4,-0.0 0.774 360.0 49.0 -65.9 -23.5 3.2 69.2 39.4 3 1 A M T 3 S+ 0 0 91 25,-0.1 81,-0.2 26,-0.1 -1,-0.2 0.447 95.5 98.3 -94.6 -2.2 5.6 66.6 37.9 4 2 A T S < S- 0 0 22 -3,-1.0 25,-0.4 1,-0.2 2,-0.3 -0.055 90.1 -62.4 -82.3-179.4 5.8 64.3 41.0 5 3 A I + 0 0 2 77,-2.4 76,-3.2 74,-0.3 23,-0.2 -0.502 49.2 176.8 -63.5 125.0 4.0 61.1 41.9 6 4 A Q + 0 0 93 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.777 62.0 7.4-102.3 -37.9 0.2 61.8 42.1 7 5 A K E -A 27 0A 132 20,-1.4 20,-3.0 72,-0.1 -1,-0.4 -0.988 51.6-168.1-148.0 146.6 -1.3 58.4 42.8 8 6 A V E +A 26 0A 17 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.985 18.4 170.8-135.9 127.4 -0.1 54.9 43.6 9 7 A H E -A 25 0A 80 16,-2.3 16,-3.2 -2,-0.4 2,-0.3 -0.986 14.1-162.6-143.9 129.6 -2.5 52.0 43.5 10 8 A G E +A 24 0A 1 -2,-0.4 2,-0.3 58,-0.3 14,-0.2 -0.763 10.8 177.4-104.5 154.7 -2.0 48.2 43.7 11 9 A R E -A 23 0A 79 12,-2.2 12,-2.4 -2,-0.3 2,-0.4 -0.985 33.0-109.2-151.9 154.5 -4.4 45.5 42.7 12 10 A E E +A 22 0A 40 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.725 43.8 168.3 -84.4 126.0 -4.5 41.7 42.6 13 11 A V E -A 21 0A 28 8,-2.2 8,-3.0 -2,-0.4 2,-0.3 -0.845 34.2 -96.1-129.7 170.0 -4.4 40.3 39.0 14 12 A L E -A 20 0A 84 -2,-0.3 2,-0.1 6,-0.2 8,-0.0 -0.697 26.9-145.4 -95.2 143.5 -3.8 36.8 37.6 15 13 A D > - 0 0 9 4,-2.9 3,-2.4 -2,-0.3 363,-0.2 -0.339 43.1 -84.2 -92.8-179.2 -0.6 35.4 36.3 16 14 A S T 3 S+ 0 0 31 361,-2.6 362,-0.1 1,-0.3 360,-0.1 0.534 130.5 50.6 -73.0 -5.7 -0.3 32.9 33.4 17 15 A R T 3 S- 0 0 65 360,-0.2 -1,-0.3 2,-0.2 359,-0.1 0.293 122.0-105.5-104.5 1.7 -1.0 29.9 35.6 18 16 A G S < S+ 0 0 32 -3,-2.4 -2,-0.1 1,-0.3 358,-0.0 0.609 78.5 134.2 80.0 11.8 -4.1 31.6 37.0 19 17 A N - 0 0 40 1,-0.1 -4,-2.9 20,-0.1 -1,-0.3 -0.723 60.8-103.8 -90.8 143.8 -2.5 32.4 40.4 20 18 A P E +A 14 0A 0 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.316 44.9 167.8 -64.8 148.1 -2.9 35.9 41.9 21 19 A T E -A 13 0A 2 -8,-3.0 -8,-2.2 -6,-0.0 2,-0.4 -0.866 33.5 -92.1-144.4-173.8 -0.1 38.4 41.7 22 20 A V E -A 12 0A 0 -2,-0.3 15,-2.6 -10,-0.2 2,-0.4 -0.840 29.9-177.3-109.1 133.2 0.4 42.1 42.3 23 21 A E E -AB 11 36A 14 -12,-2.4 -12,-2.2 -2,-0.4 2,-0.4 -0.989 9.6-159.4-126.0 147.1 0.2 44.9 39.8 24 22 A V E -AB 10 35A 0 11,-2.9 11,-2.3 -2,-0.4 2,-0.5 -0.972 6.3-158.8-128.6 134.1 1.0 48.5 40.6 25 23 A E E -AB 9 34A 23 -16,-3.2 -16,-2.3 -2,-0.4 2,-0.5 -0.962 3.2-166.4-110.4 127.1 -0.0 51.8 38.9 26 24 A V E -AB 8 33A 0 7,-2.8 7,-2.7 -2,-0.5 2,-0.5 -0.956 13.7-157.4-105.1 123.1 2.0 55.0 39.5 27 25 A T E +AB 7 32A 20 -20,-3.0 -21,-3.2 -2,-0.5 -20,-1.4 -0.880 20.5 159.6-104.3 131.9 0.1 58.0 38.2 28 26 A T E > - B 0 31A 3 3,-2.6 3,-1.9 -2,-0.5 -23,-0.1 -0.811 60.7 -88.6-130.6 178.6 1.8 61.3 37.2 29 27 A E T 3 S+ 0 0 91 -25,-0.4 3,-0.1 -27,-0.4 -26,-0.1 0.751 127.0 62.1 -59.8 -19.7 0.8 64.2 35.1 30 28 A K T 3 S- 0 0 128 1,-0.3 2,-0.3 -27,-0.1 -1,-0.3 0.538 118.6 -94.8 -87.6 -7.3 2.4 62.2 32.2 31 29 A G E < -B 28 0A 27 -3,-1.9 -3,-2.6 2,-0.1 2,-0.5 -0.882 54.2 -36.3 136.9-159.6 -0.1 59.3 32.6 32 30 A V E -B 27 0A 82 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.903 45.5-162.9-109.4 124.2 -0.6 55.9 34.3 33 31 A F E -B 26 0A 30 -7,-2.7 -7,-2.8 -2,-0.5 2,-0.4 -0.936 9.8-168.1-118.3 115.0 2.4 53.6 34.5 34 32 A R E +B 25 0A 141 -2,-0.6 2,-0.4 -9,-0.2 -9,-0.2 -0.887 11.2 172.6-116.2 131.1 1.6 50.0 35.2 35 33 A S E -B 24 0A 0 -11,-2.3 -11,-2.9 -2,-0.4 2,-0.3 -0.994 13.4-156.2-137.6 137.6 3.9 47.1 36.3 36 34 A A E -B 23 0A 4 -2,-0.4 -13,-0.2 -13,-0.2 346,-0.1 -0.875 16.0-126.0-118.1 151.7 3.1 43.6 37.3 37 35 A V - 0 0 1 -15,-2.6 -15,-0.2 -2,-0.3 2,-0.1 -0.787 20.1-143.4-100.2 127.8 5.1 41.2 39.4 38 36 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 339,-0.2 -0.327 11.4-142.5 -82.8 178.9 6.0 37.7 38.2 39 37 A S B -C 376 0B 5 337,-2.7 337,-1.8 -2,-0.1 2,-0.1 -0.971 5.0-138.7-149.0 126.3 6.1 34.5 40.3 40 38 A G - 0 0 9 -2,-0.3 3,-0.2 335,-0.2 334,-0.1 -0.383 9.4-165.8 -77.7 157.7 8.4 31.5 40.3 41 39 A A S S+ 0 0 21 1,-0.2 2,-1.7 -2,-0.1 -1,-0.1 0.748 93.5 46.6-102.5 -50.1 7.5 27.8 40.8 42 40 A S S S- 0 0 4 2,-0.0 2,-0.3 207,-0.0 -1,-0.2 -0.557 88.6-179.8 -89.4 72.8 11.0 26.5 41.4 43 41 A T - 0 0 62 -2,-1.7 2,-0.1 -3,-0.2 278,-0.0 -0.606 26.3-121.7 -84.9 131.6 11.9 29.3 43.9 44 42 A G > - 0 0 6 -2,-0.3 3,-1.4 1,-0.1 -1,-0.1 -0.395 17.6-124.0 -65.1 147.3 15.3 29.4 45.5 45 43 A V T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.709 111.1 54.4 -63.7 -22.5 15.4 29.3 49.3 46 44 A Y T 3 S+ 0 0 95 275,-0.3 -1,-0.3 2,-0.0 283,-0.1 0.363 81.4 120.1 -96.1 5.1 17.4 32.6 49.3 47 45 A E S < S- 0 0 24 -3,-1.4 302,-0.2 1,-0.1 3,-0.1 -0.338 74.9 -95.3 -66.9 147.3 14.9 34.6 47.2 48 46 A A - 0 0 13 300,-2.3 2,-0.3 276,-0.2 55,-0.2 -0.245 60.2 -76.2 -56.6 153.1 13.3 37.7 48.7 49 47 A C - 0 0 30 53,-2.9 59,-2.5 300,-0.1 2,-0.8 -0.344 35.0-157.8 -65.0 118.9 9.9 37.1 50.3 50 48 A E - 0 0 63 -2,-0.3 2,-0.6 58,-0.2 -1,-0.1 -0.875 24.4-143.3 -89.3 110.1 6.9 36.7 48.0 51 49 A L + 0 0 34 -2,-0.8 16,-0.3 52,-0.1 2,-0.3 -0.677 25.1 175.2 -85.6 116.8 4.1 37.6 50.4 52 50 A R - 0 0 55 -2,-0.6 12,-0.2 14,-0.1 10,-0.1 -0.865 33.8-126.2-119.3 160.7 0.8 35.6 50.1 53 51 A D - 0 0 50 10,-2.2 9,-0.2 -2,-0.3 3,-0.1 0.797 22.1-147.1 -76.9 -33.4 -2.3 35.7 52.3 54 52 A G + 0 0 55 7,-2.2 2,-0.9 9,-0.2 8,-0.1 0.767 42.1 150.0 64.1 29.6 -2.7 32.0 53.3 55 53 A D > - 0 0 74 3,-0.2 3,-2.3 1,-0.2 6,-2.0 -0.844 37.1-156.7 -92.8 106.5 -6.5 32.3 53.3 56 54 A K T 3> S+ 0 0 185 -2,-0.9 4,-0.5 4,-0.3 -1,-0.2 0.741 89.8 63.8 -56.4 -22.5 -7.6 28.7 52.4 57 55 A K T 34 S+ 0 0 194 1,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.490 99.8 55.3 -82.0 -6.7 -10.9 30.3 51.2 58 56 A R T X4>S- 0 0 75 -3,-2.3 3,-1.6 1,-0.1 5,-0.7 -0.968 133.7 -27.9-127.1 120.4 -9.3 32.4 48.4 59 57 A Y G >45S- 0 0 100 -2,-0.4 3,-1.8 1,-0.3 -2,-0.1 0.837 111.3 -71.2 49.2 39.9 -7.2 30.7 45.8 60 58 A V G 3<5S- 0 0 125 -4,-0.5 -4,-0.3 1,-0.3 -1,-0.3 0.867 102.1 -43.9 36.3 51.1 -6.3 27.9 48.3 61 59 A G G < 5S+ 0 0 13 -6,-2.0 -7,-2.2 -3,-1.6 -1,-0.3 0.462 115.2 109.8 84.2 3.3 -4.2 30.5 50.2 62 60 A K T < 5 + 0 0 97 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.332 40.9 132.7 -96.9 10.9 -2.4 32.2 47.3 63 61 A G < - 0 0 1 -5,-0.7 -10,-2.2 -8,-0.3 -9,-0.2 -0.099 45.9-154.4 -53.6 152.5 -4.2 35.6 47.5 64 62 A C > + 0 0 0 -12,-0.2 4,-2.5 -43,-0.2 5,-0.2 0.019 57.3 118.9-118.1 28.7 -2.0 38.7 47.3 65 63 A L H > S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.863 74.9 52.0 -60.3 -39.6 -4.4 41.0 49.2 66 64 A Q H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.950 111.2 45.7 -64.7 -44.9 -1.9 41.7 52.0 67 65 A A H > S+ 0 0 0 -16,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.927 114.4 50.0 -62.5 -41.5 0.9 42.7 49.5 68 66 A V H X S+ 0 0 15 -4,-2.5 4,-3.0 2,-0.2 -58,-0.3 0.920 109.9 50.1 -60.4 -45.0 -1.7 44.9 47.7 69 67 A K H X S+ 0 0 99 -4,-2.9 4,-3.5 2,-0.2 5,-0.5 0.910 107.7 54.4 -59.0 -42.9 -2.8 46.5 51.0 70 68 A N H X>S+ 0 0 15 -4,-2.6 5,-2.7 2,-0.2 4,-1.5 0.900 110.7 45.5 -60.5 -41.2 0.9 47.2 51.8 71 69 A V H <>S+ 0 0 0 -4,-2.1 5,-3.2 3,-0.2 -2,-0.2 0.965 119.9 41.0 -59.6 -56.4 1.2 49.0 48.4 72 70 A N H <5S+ 0 0 52 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.826 128.4 26.0 -65.4 -35.2 -2.1 50.9 49.0 73 71 A E H <5S+ 0 0 126 -4,-3.5 -3,-0.2 -5,-0.2 -1,-0.2 0.621 133.5 20.2-108.7 -15.6 -1.8 51.8 52.7 74 72 A V T X5S+ 0 0 55 -4,-1.5 4,-0.9 -5,-0.5 -3,-0.2 0.767 126.6 29.9-122.0 -59.7 2.0 51.9 53.3 75 73 A I H >> - 0 0 65 -79,-0.2 3,-1.8 -2,-0.2 7,-0.2 -0.671 24.7-159.3 -79.8 107.4 10.2 62.9 42.5 84 82 A E T 3 S+ 0 0 4 -2,-0.8 38,-0.3 1,-0.3 -1,-0.1 0.663 84.8 72.4 -62.9 -19.4 10.0 59.6 40.5 85 83 A L T 3 S+ 0 0 53 1,-0.2 2,-1.9 37,-0.1 -1,-0.3 0.701 77.1 83.3 -66.2 -22.8 13.4 60.4 38.8 86 84 A K <> + 0 0 102 -3,-1.8 4,-2.7 1,-0.2 5,-0.3 -0.493 55.0 161.4 -85.1 68.3 15.2 59.6 42.1 87 85 A Q H > S+ 0 0 4 -2,-1.9 4,-2.7 1,-0.2 5,-0.2 0.925 71.8 43.5 -59.1 -53.3 15.2 55.8 41.5 88 86 A E H > S+ 0 0 147 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 115.2 50.6 -58.9 -46.3 17.9 54.9 44.1 89 87 A E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.921 114.4 42.6 -55.6 -49.6 16.4 57.2 46.7 90 88 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.884 114.5 50.1 -71.4 -39.2 12.9 55.8 46.3 91 89 A D H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.921 112.6 48.0 -60.0 -44.7 14.1 52.2 46.2 92 90 A T H X S+ 0 0 51 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.890 108.6 54.6 -64.4 -39.0 16.2 52.8 49.4 93 91 A L H X S+ 0 0 50 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.938 109.6 46.8 -57.3 -46.4 13.1 54.4 51.0 94 92 A M H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.905 109.4 54.2 -66.7 -39.8 11.1 51.3 50.3 95 93 A L H X S+ 0 0 35 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.931 113.0 43.1 -53.4 -48.2 13.9 49.1 51.6 96 94 A R H < S+ 0 0 177 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.821 107.9 58.9 -72.1 -32.6 13.9 51.1 54.9 97 95 A L H < S+ 0 0 59 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.876 113.6 40.1 -60.2 -39.5 10.0 51.1 55.0 98 96 A D H < S- 0 0 4 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.927 88.0-169.3 -74.0 -50.0 10.3 47.3 55.1 99 97 A G < + 0 0 64 -4,-3.1 -3,-0.1 1,-0.2 -4,-0.1 0.557 46.5 104.7 77.2 7.0 13.3 47.2 57.4 100 98 A T S > S- 0 0 48 -5,-0.4 3,-1.1 1,-0.1 -1,-0.2 -0.904 74.6-125.7-121.0 152.5 14.1 43.5 57.0 101 99 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.815 110.4 39.2 -64.9 -28.9 16.8 41.8 55.0 102 100 A N T 3 S- 0 0 81 -54,-0.1 -53,-2.9 -3,-0.0 6,-0.3 0.160 108.9-112.9-104.0 13.5 14.4 39.6 53.0 103 101 A K <> + 0 0 6 -3,-1.1 4,-1.3 -55,-0.2 5,-0.3 0.849 69.2 145.7 53.4 35.5 11.5 42.2 52.4 104 102 A G T 4 + 0 0 29 3,-0.2 -1,-0.1 2,-0.2 -5,-0.0 0.552 59.1 55.4 -81.9 -9.4 9.4 39.9 54.7 105 103 A K T 4 S+ 0 0 133 -5,-0.1 -1,-0.1 -54,-0.0 -7,-0.1 0.942 126.4 13.2 -84.9 -57.8 7.4 42.8 56.2 106 104 A L T 4 S- 0 0 1 -12,-0.1 -36,-0.2 -36,-0.0 -2,-0.2 0.744 111.4-112.5 -87.7 -27.3 5.9 44.5 53.1 107 105 A G X - 0 0 0 -4,-1.3 4,-2.3 3,-0.1 3,-0.4 0.337 6.8-115.5 97.0 128.5 6.7 41.8 50.6 108 106 A A H > S+ 0 0 5 -59,-2.5 4,-2.5 -6,-0.3 5,-0.2 0.790 119.8 60.0 -58.6 -30.5 9.1 41.9 47.7 109 107 A N H > S+ 0 0 5 -60,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.797 107.3 43.9 -73.2 -24.0 6.0 41.5 45.6 110 108 A A H > S+ 0 0 0 -3,-0.4 4,-1.2 -4,-0.2 -2,-0.2 0.923 117.9 44.3 -77.2 -45.6 4.6 44.8 47.0 111 109 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.920 108.6 55.1 -66.5 -46.5 7.9 46.7 46.7 112 110 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.858 102.6 54.2 -61.6 -45.6 8.9 45.5 43.2 113 111 A G H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.926 112.6 46.9 -51.2 -46.5 5.7 46.7 41.4 114 112 A C H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.943 111.5 49.6 -58.7 -51.6 6.3 50.1 42.9 115 113 A S H X S+ 0 0 0 -4,-2.4 4,-1.8 235,-0.3 -2,-0.2 0.907 114.6 45.4 -54.3 -48.9 10.1 50.1 41.9 116 114 A M H X S+ 0 0 1 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.923 114.3 46.4 -58.9 -52.6 9.2 49.1 38.3 117 115 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.853 109.0 55.6 -65.6 -37.7 6.3 51.6 37.9 118 116 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.939 107.1 51.0 -56.9 -46.8 8.4 54.5 39.3 119 117 A S H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.852 110.8 48.1 -64.4 -34.9 11.1 53.8 36.7 120 118 A K H X S+ 0 0 60 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.877 111.1 49.8 -70.9 -40.3 8.4 53.9 33.9 121 119 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.884 112.6 49.4 -59.1 -42.2 7.0 57.2 35.3 122 120 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -38,-0.3 -2,-0.2 0.894 107.4 52.1 -65.4 -46.0 10.5 58.5 35.3 123 121 A A H X>S+ 0 0 3 -4,-2.2 5,-2.3 2,-0.2 4,-1.2 0.922 111.5 48.6 -55.0 -44.6 11.3 57.4 31.7 124 122 A A H <5S+ 0 0 26 -4,-2.0 -2,-0.2 1,-0.2 3,-0.2 0.903 108.5 53.5 -63.3 -43.1 8.1 59.3 30.7 125 123 A A H <5S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 111.6 44.9 -57.5 -41.0 9.2 62.4 32.7 126 124 A K H <5S- 0 0 131 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.691 112.2-125.7 -74.2 -18.7 12.6 62.3 30.8 127 125 A G T <5S+ 0 0 64 -4,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.864 71.0 114.4 72.3 39.4 10.6 61.8 27.5 128 126 A V S > - 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