==== 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 2PTZ . 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) . 16806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.2 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 . 31 7.2 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 . 141 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.8 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 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 2 3 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 0 121 0, 0.0 3,-1.3 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 177.0 4.2 68.9 42.3 2 0 A H T 3 + 0 0 126 1,-0.3 27,-0.5 26,-0.1 4,-0.1 0.738 360.0 41.9 -62.3 -33.5 3.1 68.4 38.6 3 1 A M T 3 S+ 0 0 80 25,-0.1 -1,-0.3 26,-0.1 81,-0.2 0.594 96.9 96.2 -91.9 -9.4 5.7 65.9 37.4 4 2 A T S < S- 0 0 17 -3,-1.3 25,-0.4 1,-0.2 2,-0.2 -0.004 89.4 -66.0 -78.8 176.5 5.7 63.6 40.5 5 3 A I + 0 0 1 77,-2.5 76,-3.2 74,-0.3 23,-0.2 -0.474 46.5 179.3 -67.3 126.4 3.8 60.3 41.3 6 4 A Q + 0 0 103 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.782 62.2 6.7 -96.9 -36.3 0.1 61.0 41.6 7 5 A K E -A 27 0A 128 20,-1.4 20,-2.8 72,-0.1 2,-0.4 -0.987 52.4-165.8-151.2 143.3 -1.4 57.6 42.4 8 6 A V E +A 26 0A 14 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.977 19.1 172.2-134.0 129.5 -0.1 54.2 43.1 9 7 A H E -A 25 0A 71 16,-2.5 16,-3.2 -2,-0.4 2,-0.3 -0.998 13.8-162.7-143.3 132.0 -2.5 51.3 43.0 10 8 A G E +A 24 0A 1 -2,-0.4 2,-0.3 58,-0.3 14,-0.2 -0.774 10.2 178.0-109.4 153.8 -2.1 47.6 43.2 11 9 A R E -A 23 0A 76 12,-2.6 12,-2.5 -2,-0.3 2,-0.5 -0.991 32.8-111.1-151.3 153.5 -4.4 44.8 42.2 12 10 A E E +A 22 0A 40 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.754 43.6 169.0 -82.1 126.7 -4.5 41.1 42.1 13 11 A V E -A 21 0A 28 8,-2.3 8,-2.8 -2,-0.5 2,-0.4 -0.810 34.2 -97.2-127.2 173.8 -4.4 39.7 38.5 14 12 A L E -A 20 0A 84 -2,-0.3 2,-0.1 6,-0.2 8,-0.0 -0.771 27.4-144.4 -98.1 146.0 -3.8 36.3 37.1 15 13 A D > - 0 0 9 4,-2.9 3,-2.3 -2,-0.4 363,-0.2 -0.318 43.2 -83.6 -92.4-178.3 -0.6 34.9 35.9 16 14 A S T 3 S+ 0 0 30 361,-2.7 362,-0.1 1,-0.3 360,-0.1 0.539 130.7 52.0 -72.8 -10.4 -0.2 32.5 33.0 17 15 A R T 3 S- 0 0 62 360,-0.2 -1,-0.3 2,-0.2 359,-0.1 0.354 122.3-105.3 -97.4 0.2 -1.0 29.4 35.2 18 16 A G S < S+ 0 0 31 -3,-2.3 -2,-0.2 1,-0.3 358,-0.0 0.643 79.3 133.4 81.3 21.3 -4.2 31.1 36.5 19 17 A N - 0 0 34 1,-0.1 -4,-2.9 20,-0.1 -1,-0.3 -0.797 61.5-101.0-101.2 147.1 -2.6 32.0 39.8 20 18 A P E +A 14 0A 0 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.220 45.8 167.0 -63.3 147.7 -2.9 35.4 41.4 21 19 A T E -A 13 0A 2 -8,-2.8 -8,-2.3 -6,-0.1 2,-0.4 -0.894 35.5 -89.7-144.7-176.1 -0.1 37.8 41.2 22 20 A V E -A 12 0A 0 -2,-0.3 15,-2.7 -10,-0.2 2,-0.4 -0.819 31.3-178.1-102.5 134.4 0.5 41.5 41.9 23 21 A E E -AB 11 36A 14 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.4 -0.990 9.0-164.0-123.3 144.3 0.1 44.3 39.3 24 22 A V E -AB 10 35A 0 11,-3.1 11,-2.7 -2,-0.4 2,-0.5 -0.981 6.5-160.9-129.2 139.2 0.9 47.9 40.2 25 23 A E E -AB 9 34A 22 -16,-3.2 -16,-2.5 -2,-0.4 2,-0.5 -0.962 2.2-165.3-118.2 126.8 -0.0 51.1 38.3 26 24 A V E -AB 8 33A 0 7,-2.6 7,-2.9 -2,-0.5 2,-0.5 -0.983 13.9-156.2-107.3 124.1 1.9 54.3 39.0 27 25 A T E +AB 7 32A 25 -20,-2.8 -21,-3.3 -2,-0.5 -20,-1.4 -0.883 21.0 160.6-103.5 134.1 0.0 57.3 37.7 28 26 A T E > - B 0 31A 3 3,-2.8 3,-1.6 -2,-0.5 -23,-0.1 -0.776 60.5 -88.8-131.3-179.5 1.7 60.5 36.7 29 27 A E T 3 S+ 0 0 90 -27,-0.5 3,-0.1 -25,-0.4 -26,-0.1 0.771 127.5 61.6 -62.3 -20.9 0.6 63.4 34.5 30 28 A K T 3 S- 0 0 125 1,-0.3 2,-0.3 -27,-0.2 -1,-0.3 0.578 119.3 -93.2 -84.9 -11.0 2.3 61.4 31.7 31 29 A G E < -B 28 0A 27 -3,-1.6 -3,-2.8 2,-0.1 2,-0.5 -0.879 52.9 -39.9 137.4-163.9 -0.1 58.5 32.2 32 30 A V E -B 27 0A 79 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.914 44.7-161.8-111.2 121.9 -0.6 55.2 33.9 33 31 A F E -B 26 0A 29 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.5 -0.910 10.6-166.6-114.9 114.3 2.4 52.9 34.1 34 32 A R E +B 25 0A 139 -2,-0.6 2,-0.4 -9,-0.2 -9,-0.2 -0.896 11.6 173.7-116.4 133.2 1.5 49.3 34.8 35 33 A S E -B 24 0A 0 -11,-2.7 -11,-3.1 -2,-0.5 2,-0.3 -0.986 11.9-158.3-138.2 136.0 3.8 46.5 35.9 36 34 A A E -B 23 0A 4 -2,-0.4 -13,-0.3 -13,-0.3 346,-0.1 -0.897 17.1-126.3-117.2 153.6 3.0 42.9 36.9 37 35 A V - 0 0 0 -15,-2.7 -15,-0.2 -2,-0.3 2,-0.1 -0.796 19.4-140.3-103.0 132.0 5.1 40.6 39.0 38 36 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 339,-0.2 -0.319 12.9-141.8 -81.3 174.4 5.9 37.1 37.7 39 37 A S B -C 376 0B 5 337,-3.0 337,-1.7 -2,-0.1 2,-0.1 -0.981 5.9-141.4-142.8 129.7 6.0 34.0 39.9 40 38 A G - 0 0 9 -2,-0.4 3,-0.2 335,-0.2 334,-0.1 -0.404 10.1-166.7 -80.2 158.2 8.3 31.0 39.9 41 39 A A S S+ 0 0 20 -2,-0.1 2,-1.6 1,-0.1 -1,-0.1 0.694 93.2 46.6-101.4 -51.6 7.4 27.4 40.5 42 40 A S S S+ 0 0 7 115,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.506 87.8 177.9 -87.9 67.7 10.9 26.1 41.0 43 41 A T - 0 0 57 -2,-1.6 2,-0.1 -3,-0.2 278,-0.0 -0.549 29.0-120.9 -80.7 130.9 11.7 28.9 43.4 44 42 A G > - 0 0 6 -2,-0.3 3,-1.8 1,-0.1 -1,-0.1 -0.379 20.2-121.2 -65.4 148.5 15.2 28.9 45.0 45 43 A V T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.757 112.4 56.0 -65.7 -19.3 15.2 28.8 48.8 46 44 A Y T 3 S+ 0 0 92 275,-0.3 -1,-0.3 3,-0.0 283,-0.1 0.367 79.2 121.6 -95.1 9.4 17.1 32.1 48.7 47 45 A E S < S- 0 0 23 -3,-1.8 302,-0.2 1,-0.1 3,-0.1 -0.328 74.9 -94.7 -69.7 147.1 14.7 34.1 46.6 48 46 A A - 0 0 12 300,-2.7 2,-0.2 276,-0.2 55,-0.2 -0.232 62.2 -74.9 -53.4 150.8 13.2 37.2 48.1 49 47 A C - 0 0 28 53,-3.5 59,-2.8 300,-0.1 60,-0.8 -0.319 36.9-158.1 -61.3 121.7 9.8 36.7 49.7 50 48 A E - 0 0 59 -2,-0.2 2,-0.6 58,-0.2 -1,-0.1 -0.863 22.3-143.7 -94.5 110.6 6.8 36.1 47.5 51 49 A L + 0 0 33 -2,-0.8 16,-0.3 52,-0.1 2,-0.3 -0.670 23.7 177.0 -89.8 118.2 4.0 37.0 49.9 52 50 A R - 0 0 55 -2,-0.6 12,-0.2 14,-0.1 10,-0.1 -0.839 33.7-127.9-115.2 155.8 0.8 34.9 49.5 53 51 A D - 0 0 48 10,-2.5 9,-0.2 -2,-0.3 3,-0.1 0.822 23.7-147.7 -75.4 -36.1 -2.3 35.2 51.6 54 52 A G + 0 0 56 7,-2.4 2,-0.9 9,-0.2 8,-0.2 0.720 43.1 148.8 71.9 21.5 -2.6 31.5 52.6 55 53 A D > - 0 0 70 3,-0.2 6,-2.5 1,-0.2 3,-2.3 -0.784 37.7-158.2 -88.9 108.3 -6.4 31.7 52.6 56 54 A K T 3> S+ 0 0 178 -2,-0.9 4,-0.5 4,-0.3 -1,-0.2 0.739 88.6 64.6 -60.1 -19.5 -7.6 28.3 51.6 57 55 A K T 34 S+ 0 0 192 1,-0.2 2,-0.4 3,-0.1 -1,-0.3 0.563 102.0 53.7 -81.4 -8.6 -11.0 29.8 50.5 58 56 A R T X4>S- 0 0 72 -3,-2.3 3,-1.1 1,-0.1 5,-0.8 -0.975 134.1 -26.8-128.0 121.0 -9.3 31.9 47.8 59 57 A Y G >45S- 0 0 101 -2,-0.4 3,-2.1 1,-0.3 -2,-0.1 0.829 111.7 -74.1 51.8 38.2 -7.1 30.4 45.1 60 58 A V G 3<5S- 0 0 115 -4,-0.5 -4,-0.3 1,-0.3 -1,-0.3 0.890 99.8 -42.7 23.6 68.0 -6.4 27.6 47.7 61 59 A G G < 5S+ 0 0 12 -6,-2.5 -7,-2.4 -3,-1.1 -1,-0.3 0.380 117.3 107.2 75.9 1.3 -4.2 30.0 49.6 62 60 A K T < 5 + 0 0 95 -3,-2.1 -3,-0.2 -4,-0.4 -2,-0.1 0.287 43.2 132.1 -97.0 11.3 -2.3 31.7 46.6 63 61 A G < - 0 0 1 -5,-0.8 -10,-2.5 -8,-0.3 -9,-0.2 -0.177 47.0-154.6 -55.6 154.2 -4.2 35.0 46.9 64 62 A C > + 0 0 0 -12,-0.2 4,-2.8 -43,-0.2 5,-0.2 0.017 57.1 120.1-120.6 26.7 -2.0 38.2 46.8 65 63 A L H > S+ 0 0 78 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.880 76.1 50.8 -55.2 -41.9 -4.5 40.4 48.6 66 64 A Q H > S+ 0 0 79 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.959 111.9 45.0 -67.0 -43.1 -1.9 41.1 51.4 67 65 A A H > S+ 0 0 0 -16,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.928 115.2 49.3 -64.4 -41.9 0.8 42.1 48.9 68 66 A V H X S+ 0 0 14 -4,-2.8 4,-3.1 1,-0.2 -58,-0.3 0.923 110.3 50.3 -61.6 -45.1 -1.7 44.2 47.1 69 67 A K H X>S+ 0 0 96 -4,-3.2 4,-3.6 2,-0.2 5,-0.5 0.899 108.1 54.5 -58.5 -42.3 -2.8 45.8 50.4 70 68 A N H X>S+ 0 0 13 -4,-2.8 5,-2.9 1,-0.2 4,-1.7 0.923 111.2 44.0 -58.4 -46.5 0.9 46.5 51.1 71 69 A V H <>S+ 0 0 0 -4,-2.4 5,-3.3 3,-0.2 -2,-0.2 0.963 120.4 41.3 -56.3 -53.7 1.2 48.3 47.8 72 70 A N H <5S+ 0 0 50 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.829 128.0 26.8 -68.4 -36.2 -2.1 50.2 48.4 73 71 A E H <5S+ 0 0 124 -4,-3.6 -3,-0.2 -5,-0.2 -1,-0.2 0.632 134.0 18.3-107.4 -19.3 -1.8 51.1 52.0 74 72 A V T X> - 0 0 53 -2,-0.2 3,-2.1 -79,-0.2 7,-0.2 -0.692 23.9-159.1 -80.6 107.8 10.1 62.0 42.0 84 82 A E T 3 S+ 0 0 2 -2,-0.9 38,-0.3 1,-0.3 -1,-0.2 0.653 85.6 73.1 -62.4 -20.9 9.9 58.8 40.0 85 83 A L T 3 S+ 0 0 41 1,-0.2 2,-2.0 37,-0.1 -1,-0.3 0.740 77.2 82.1 -62.2 -22.1 13.2 59.7 38.4 86 84 A K <> + 0 0 94 -3,-2.1 4,-3.0 1,-0.2 5,-0.3 -0.461 55.2 160.9 -88.6 67.9 14.9 58.8 41.6 87 85 A Q H > S+ 0 0 3 -2,-2.0 4,-3.1 1,-0.2 5,-0.3 0.917 72.9 43.0 -59.4 -53.2 15.0 55.1 41.1 88 86 A E H > S+ 0 0 144 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.931 115.6 50.8 -60.7 -44.7 17.7 54.2 43.6 89 87 A E H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.934 114.8 42.2 -58.1 -45.8 16.2 56.6 46.2 90 88 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.907 114.6 49.6 -72.7 -40.6 12.7 55.1 45.8 91 89 A D H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.3 -1,-0.2 0.939 112.4 48.7 -59.8 -43.6 13.9 51.5 45.7 92 90 A T H X S+ 0 0 46 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.904 108.8 53.4 -64.4 -39.0 15.9 52.1 48.8 93 91 A L H X S+ 0 0 47 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.941 110.3 48.3 -57.0 -46.8 12.9 53.7 50.5 94 92 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.923 109.6 51.5 -64.4 -38.9 10.9 50.6 49.6 95 93 A L H X S+ 0 0 32 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.933 113.1 45.6 -61.0 -43.8 13.7 48.4 51.0 96 94 A R H < S+ 0 0 175 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.857 107.3 57.7 -70.5 -35.5 13.7 50.5 54.2 97 95 A L H < S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.6 40.3 -57.2 -41.3 9.8 50.4 54.4 98 96 A D H < S- 0 0 4 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.921 88.3-167.8 -72.1 -49.2 10.1 46.6 54.4 99 97 A G < + 0 0 62 -4,-3.0 -3,-0.1 -5,-0.2 -4,-0.1 0.513 48.4 103.6 76.3 7.7 13.1 46.6 56.8 100 98 A T S > S- 0 0 49 -5,-0.3 3,-1.3 1,-0.1 -1,-0.2 -0.918 74.5-127.4-123.9 149.2 13.9 42.9 56.2 101 99 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.876 110.3 40.7 -60.2 -35.6 16.7 41.3 54.1 102 100 A N T 3 S- 0 0 83 -54,-0.1 -53,-3.5 -4,-0.1 6,-0.3 0.243 109.9-114.0-101.3 10.4 14.3 39.0 52.2 103 101 A K <> + 0 0 4 -3,-1.3 4,-1.5 -55,-0.2 5,-0.2 0.853 67.9 147.3 59.1 33.9 11.4 41.6 51.8 104 102 A G T 4 + 0 0 28 3,-0.2 -1,-0.1 2,-0.2 -5,-0.0 0.581 59.2 55.7 -78.2 -14.5 9.4 39.3 54.0 105 103 A K T 4 S+ 0 0 132 -5,-0.1 -1,-0.1 1,-0.0 -7,-0.1 0.951 126.5 12.9 -83.2 -58.1 7.4 42.1 55.6 106 104 A L T 4 S- 0 0 2 -12,-0.1 -36,-0.2 -6,-0.1 -2,-0.2 0.735 111.7-113.8 -89.2 -24.2 5.8 43.8 52.6 107 105 A G >X - 0 0 0 -4,-1.5 4,-2.3 3,-0.1 3,-1.1 0.375 8.8-113.3 94.3 131.8 6.7 41.1 50.1 108 106 A A H 3> S+ 0 0 4 -59,-2.8 4,-3.1 -6,-0.3 5,-0.3 0.839 120.1 61.7 -61.6 -31.1 9.1 41.3 47.1 109 107 A N H 34 S+ 0 0 4 -60,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.693 106.3 43.5 -70.6 -18.0 5.9 40.9 45.0 110 108 A A H <> S+ 0 0 0 -3,-1.1 4,-1.1 2,-0.1 -2,-0.2 0.856 119.1 42.9 -82.2 -46.8 4.5 44.2 46.5 111 109 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.3 0.936 108.4 55.6 -65.4 -48.5 7.8 46.0 46.1 112 110 A L H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.882 103.0 53.9 -60.9 -41.3 8.9 44.9 42.7 113 111 A G H > S+ 0 0 0 -4,-0.4 4,-2.6 -5,-0.3 -1,-0.2 0.908 112.5 46.7 -58.8 -39.9 5.7 46.0 40.9 114 112 A C H X S+ 0 0 0 -4,-1.1 4,-3.0 -3,-0.3 -2,-0.2 0.945 111.6 50.1 -64.4 -47.3 6.2 49.4 42.4 115 113 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 235,-0.3 -2,-0.2 0.902 114.7 45.0 -57.3 -48.2 9.9 49.4 41.4 116 114 A M H X S+ 0 0 0 -4,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.941 114.3 46.2 -59.5 -52.7 9.0 48.4 37.9 117 115 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.885 109.6 55.4 -67.0 -37.5 6.2 50.9 37.4 118 116 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.953 107.3 50.3 -54.3 -45.9 8.3 53.7 38.9 119 117 A S H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.872 111.8 47.8 -66.3 -34.8 11.0 53.0 36.3 120 118 A K H X S+ 0 0 57 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.921 112.0 48.7 -71.1 -40.6 8.3 53.1 33.5 121 119 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.892 112.4 50.4 -63.1 -40.0 6.9 56.4 34.8 122 120 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -38,-0.3 5,-0.2 0.922 107.2 52.0 -67.1 -46.0 10.4 57.7 35.0 123 121 A A H X>S+ 0 0 3 -4,-2.6 5,-2.3 1,-0.2 4,-1.4 0.931 110.7 49.1 -52.4 -45.6 11.1 56.7 31.4 124 122 A A H <5S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 109.7 52.3 -62.7 -41.5 8.0 58.5 30.3 125 123 A A H <5S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 112.0 44.8 -59.5 -41.9 9.1 61.6 32.3 126 124 A K H <5S- 0 0 138 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.683 112.5-126.8 -74.6 -18.0 12.5 61.5 30.5 127 125 A G T <5S+ 0 0 64 -4,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.850 70.7 114.3 72.8 34.3 10.5 61.0 27.2 128 126 A V S > - 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