==== 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 2PTW . 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 . 406 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 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 . 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 . 22 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 5 1 0 2 1 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 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 0 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 . 0 1 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 0 A H 0 0 168 0, 0.0 27,-0.4 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 -29.8 3.0 -13.7 15.1 2 1 A M + 0 0 104 25,-0.1 81,-0.2 26,-0.1 27,-0.1 0.421 360.0 98.9 -78.6 -1.1 5.3 -11.3 16.9 3 2 A T S S- 0 0 46 1,-0.2 25,-0.4 79,-0.1 2,-0.3 -0.033 87.1 -60.4 -87.6-176.0 5.2 -8.9 13.9 4 3 A I + 0 0 2 77,-2.1 76,-3.0 74,-0.3 23,-0.2 -0.484 46.4 173.9 -73.7 122.3 3.3 -5.7 12.8 5 4 A Q + 0 0 95 21,-3.2 2,-0.3 1,-0.3 22,-0.2 0.817 62.9 6.3 -95.2 -37.3 -0.5 -6.3 12.6 6 5 A K E -A 26 0A 104 20,-1.3 20,-2.9 72,-0.1 2,-0.4 -0.987 50.3-168.3-151.0 145.0 -1.9 -2.8 11.9 7 6 A V E +A 25 0A 14 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.988 20.0 171.8-135.3 124.4 -0.6 0.7 11.1 8 7 A H E -A 24 0A 62 16,-2.4 16,-2.8 -2,-0.4 2,-0.3 -0.992 14.2-160.6-142.3 133.6 -3.1 3.5 11.3 9 8 A G E +A 23 0A 2 -2,-0.4 2,-0.3 58,-0.3 14,-0.2 -0.762 12.4 173.3-107.4 153.3 -2.7 7.3 11.0 10 9 A R E -A 22 0A 79 12,-2.3 12,-2.5 -2,-0.3 2,-0.4 -0.981 34.2-106.1-149.9 159.5 -5.0 10.1 12.1 11 10 A E E +A 21 0A 40 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.731 41.1 171.6 -80.3 135.8 -5.0 13.9 12.5 12 11 A V E -A 20 0A 27 8,-2.7 8,-2.7 -2,-0.4 2,-0.4 -0.793 33.0 -99.9-130.6 174.3 -4.7 15.3 16.0 13 12 A L E -A 19 0A 85 -2,-0.2 2,-0.1 6,-0.2 8,-0.0 -0.816 26.9-142.4 -99.1 140.5 -4.3 18.8 17.3 14 13 A D > - 0 0 9 4,-3.2 3,-2.2 -2,-0.4 340,-0.2 -0.298 40.6 -87.7 -87.2 177.4 -1.0 20.2 18.4 15 14 A S T 3 S+ 0 0 31 338,-2.7 339,-0.1 1,-0.3 337,-0.1 0.521 129.1 52.7 -68.8 -4.1 -0.6 22.6 21.4 16 15 A R T 3 S- 0 0 72 2,-0.2 -1,-0.3 337,-0.2 336,-0.1 0.413 122.2-105.7-102.8 -5.5 -1.3 25.6 19.2 17 16 A G S < S+ 0 0 33 -3,-2.2 -2,-0.1 1,-0.3 335,-0.0 0.575 79.2 129.8 91.4 14.8 -4.5 24.1 17.9 18 17 A N - 0 0 36 1,-0.1 -4,-3.2 44,-0.0 -1,-0.3 -0.785 62.3-102.9-100.7 144.5 -3.1 23.1 14.5 19 18 A P E +A 13 0A 1 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.271 43.8 167.0 -62.7 145.3 -3.5 19.6 13.0 20 19 A T E -A 12 0A 2 -8,-2.7 -8,-2.7 -6,-0.0 2,-0.4 -0.866 35.9 -90.2-141.9-178.1 -0.7 17.2 13.0 21 20 A V E -A 11 0A 0 -2,-0.3 15,-2.4 -10,-0.2 2,-0.4 -0.808 29.7-175.0-101.9 133.1 -0.2 13.4 12.4 22 21 A E E -AB 10 35A 14 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.4 -0.984 10.7-160.6-122.5 142.3 -0.3 10.7 15.0 23 22 A V E -AB 9 34A 0 11,-3.2 11,-2.7 -2,-0.4 2,-0.5 -0.955 5.4-161.0-126.7 136.4 0.5 7.0 14.1 24 23 A E E -AB 8 33A 20 -16,-2.8 -16,-2.4 -2,-0.4 2,-0.5 -0.993 2.1-166.1-115.5 127.9 -0.5 3.8 15.9 25 24 A V E -AB 7 32A 0 7,-2.5 7,-2.9 -2,-0.5 2,-0.5 -0.961 12.0-156.5-108.7 127.8 1.4 0.6 15.2 26 25 A T E +AB 6 31A 27 -20,-2.9 -21,-3.2 -2,-0.5 -20,-1.3 -0.893 22.3 156.9-111.2 128.9 -0.3 -2.5 16.6 27 26 A T E > - B 0 30A 3 3,-2.5 3,-1.7 -2,-0.5 -23,-0.1 -0.800 62.5 -86.0-130.7-177.5 1.5 -5.8 17.4 28 27 A E T 3 S+ 0 0 88 -25,-0.4 3,-0.1 -27,-0.4 -26,-0.1 0.654 126.3 64.9 -70.4 -8.0 0.6 -8.6 19.8 29 28 A K T 3 S- 0 0 113 1,-0.3 2,-0.3 -27,-0.1 -1,-0.3 0.543 118.4 -94.6 -88.0 -10.2 2.3 -6.6 22.5 30 29 A G E < -B 27 0A 30 -3,-1.7 -3,-2.5 2,-0.1 2,-0.5 -0.888 54.7 -39.7 135.4-156.3 -0.3 -3.8 22.2 31 30 A V E -B 26 0A 84 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.931 46.3-160.3-115.5 121.4 -0.9 -0.4 20.4 32 31 A F E -B 25 0A 29 -7,-2.9 -7,-2.5 -2,-0.5 2,-0.4 -0.915 9.9-166.1-114.6 117.8 2.0 1.9 20.2 33 32 A R E +B 24 0A 137 -2,-0.6 2,-0.4 -9,-0.2 -9,-0.2 -0.877 11.8 171.7-117.1 130.1 1.1 5.6 19.5 34 33 A S E -B 23 0A 0 -11,-2.7 -11,-3.2 -2,-0.4 2,-0.3 -0.998 13.3-157.1-136.4 137.0 3.4 8.4 18.4 35 34 A A E -B 22 0A 4 -2,-0.4 -13,-0.2 -13,-0.3 323,-0.2 -0.879 16.8-127.3-118.0 151.0 2.6 12.0 17.3 36 35 A V - 0 0 1 -15,-2.4 -15,-0.2 -2,-0.3 2,-0.1 -0.786 19.3-139.0 -98.4 131.5 4.7 14.4 15.1 37 36 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 316,-0.2 -0.305 16.9-152.4 -84.5 173.4 5.6 17.9 16.3 38 37 A S B -C 352 0B 4 314,-2.9 314,-2.3 -2,-0.1 2,-0.2 -0.990 7.8-156.6-152.1 136.6 5.6 21.0 14.0 39 38 A G - 0 0 8 -2,-0.3 311,-0.0 312,-0.2 0, 0.0 -0.649 29.5-124.1-103.0 168.7 7.3 24.4 13.7 40 39 A A S S+ 0 0 82 -2,-0.2 2,-0.1 2,-0.0 -1,-0.0 0.347 80.6 112.3 -84.0 6.1 6.2 27.6 12.0 41 40 A S - 0 0 55 2,-0.0 -2,-0.2 0, 0.0 2,-0.2 -0.438 53.4-154.2 -96.6 151.1 9.5 27.4 10.1 42 41 A T - 0 0 135 -2,-0.1 2,-0.1 3,-0.0 -2,-0.0 -0.671 13.2-179.9-162.7 112.0 10.5 26.7 6.5 43 42 A G - 0 0 36 -2,-0.2 254,-0.0 4,-0.1 -2,-0.0 -0.370 30.8-156.8 98.0 66.2 13.1 25.6 5.8 44 43 A V S S+ 0 0 127 -2,-0.1 4,-0.1 1,-0.1 0, 0.0 0.633 106.2 45.3 -86.6 -20.7 14.6 24.8 2.4 45 44 A Y S S+ 0 0 93 2,-0.1 2,-0.2 257,-0.0 -1,-0.1 0.447 94.9 97.6-100.0 -6.2 16.9 22.3 4.1 46 45 A E S S- 0 0 23 1,-0.1 279,-0.2 256,-0.1 278,-0.1 -0.537 86.1 -97.9 -80.6 150.2 14.3 20.7 6.3 47 46 A A - 0 0 14 277,-2.5 2,-0.3 -2,-0.2 55,-0.2 -0.371 58.2 -86.4 -58.9 149.8 12.5 17.4 5.5 48 47 A C - 0 0 32 53,-3.3 59,-3.4 277,-0.1 60,-0.7 -0.452 33.1-156.7 -72.6 121.4 9.1 18.2 4.0 49 48 A E - 0 0 61 -2,-0.3 2,-0.6 57,-0.2 57,-0.1 -0.880 21.7-140.9 -93.5 119.2 6.1 18.7 6.2 50 49 A L + 0 0 31 -2,-0.7 16,-0.4 55,-0.1 2,-0.3 -0.748 24.1 178.4 -90.9 118.5 3.1 17.9 4.1 51 50 A R - 0 0 60 -2,-0.6 12,-0.2 14,-0.1 10,-0.1 -0.822 31.6-129.1-114.7 157.2 0.0 20.1 4.5 52 51 A D - 0 0 48 10,-2.5 9,-0.2 -2,-0.3 3,-0.1 0.860 20.6-150.2 -75.1 -35.6 -3.3 19.9 2.6 53 52 A G + 0 0 42 7,-2.4 2,-0.9 1,-0.2 8,-0.1 0.748 43.4 146.8 65.5 21.3 -3.6 23.5 1.6 54 53 A D > - 0 0 65 3,-0.2 6,-2.0 1,-0.1 3,-1.8 -0.836 38.1-158.8 -84.6 106.9 -7.4 23.2 1.7 55 54 A K T 3> S+ 0 0 144 -2,-0.9 4,-0.6 4,-0.3 -1,-0.1 0.761 87.3 63.9 -64.0 -21.0 -8.4 26.7 2.8 56 55 A K T 34 S+ 0 0 192 3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.592 100.5 54.8 -75.1 -17.1 -11.8 25.3 4.0 57 56 A R T X4>S- 0 0 79 -3,-1.8 5,-0.8 1,-0.1 3,-0.7 -0.991 134.8 -28.1-119.9 123.8 -10.2 23.1 6.7 58 57 A Y G >45S- 0 0 99 -2,-0.5 3,-1.1 1,-0.2 -2,-0.1 0.711 110.8 -72.6 47.7 38.6 -7.8 24.7 9.2 59 58 A V G 3<5S- 0 0 102 -4,-0.6 -4,-0.3 1,-0.2 -1,-0.2 0.950 100.6 -41.2 29.6 73.7 -6.9 27.4 6.7 60 59 A G G < 5S+ 0 0 5 -6,-2.0 -7,-2.4 -3,-0.7 -1,-0.2 0.410 118.5 107.4 71.3 3.7 -4.8 25.1 4.5 61 60 A K T < 5 + 0 0 88 -3,-1.1 -3,-0.2 -4,-0.4 -1,-0.1 0.345 39.9 131.8 -99.9 7.8 -3.2 23.3 7.5 62 61 A G < - 0 0 0 -5,-0.8 -10,-2.5 -8,-0.3 -9,-0.2 -0.118 45.0-155.2 -52.6 152.8 -4.9 19.9 7.3 63 62 A C > + 0 0 0 -12,-0.2 4,-2.4 -43,-0.2 5,-0.2 0.003 57.9 118.0-120.0 25.9 -2.8 16.8 7.5 64 63 A L H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.846 74.9 51.9 -63.8 -37.0 -5.2 14.5 5.7 65 64 A Q H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.957 110.5 46.7 -63.2 -52.9 -2.7 13.8 2.8 66 65 A A H > S+ 0 0 0 -16,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.933 114.9 48.7 -50.6 -48.7 0.2 12.9 5.2 67 66 A V H X S+ 0 0 14 -4,-2.4 4,-2.8 2,-0.2 -58,-0.3 0.897 109.1 52.0 -59.2 -43.9 -2.4 10.6 7.1 68 67 A K H X S+ 0 0 99 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.896 107.0 53.5 -59.6 -43.6 -3.5 9.1 3.8 69 68 A N H X>S+ 0 0 15 -4,-2.5 5,-2.7 2,-0.2 4,-1.6 0.907 111.5 45.9 -58.0 -42.0 0.2 8.3 3.0 70 69 A V H <>S+ 0 0 0 -4,-2.2 5,-2.8 3,-0.2 -2,-0.2 0.957 118.7 41.8 -59.4 -54.6 0.4 6.5 6.3 71 70 A N H <5S+ 0 0 52 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.818 128.2 24.9 -66.4 -33.1 -2.9 4.6 5.8 72 71 A E H <5S+ 0 0 125 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.595 132.6 21.6-116.4 -17.4 -2.6 3.7 2.1 73 72 A V T X5S+ 0 0 60 -4,-1.6 4,-0.9 -5,-0.4 -3,-0.2 0.729 126.6 30.7-117.5 -56.3 1.1 3.6 1.3 74 73 A I H >> - 0 0 42 -2,-0.2 3,-1.5 -79,-0.2 7,-0.1 -0.660 24.8-156.6 -75.4 110.9 9.5 -7.5 12.1 83 82 A E T 3 S+ 0 0 2 -2,-0.7 38,-0.3 1,-0.3 -1,-0.1 0.585 84.7 73.4 -66.3 -11.6 9.4 -4.2 14.1 84 83 A L T 3 S+ 0 0 55 1,-0.2 2,-1.8 37,-0.1 -1,-0.3 0.684 75.5 83.0 -75.6 -17.8 12.8 -5.0 15.7 85 84 A K <> + 0 0 98 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 -0.540 55.0 163.6 -92.2 71.1 14.6 -4.1 12.4 86 85 A Q H > S+ 0 0 4 -2,-1.8 4,-3.1 1,-0.2 5,-0.3 0.936 72.2 44.4 -54.7 -58.8 14.7 -0.3 12.9 87 86 A E H > S+ 0 0 136 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 114.9 50.7 -52.5 -43.7 17.4 0.6 10.3 88 87 A E H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 114.0 43.2 -66.1 -45.9 15.8 -1.7 7.8 89 88 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.868 114.7 48.3 -71.5 -39.9 12.3 -0.3 8.2 90 89 A D H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.928 113.7 48.5 -62.4 -44.3 13.4 3.4 8.3 91 90 A T H X S+ 0 0 45 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.921 108.4 55.4 -62.2 -44.4 15.5 2.6 5.1 92 91 A L H X S+ 0 0 47 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.930 109.6 45.3 -44.8 -53.1 12.4 1.0 3.6 93 92 A M H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.827 110.2 54.3 -68.7 -35.4 10.4 4.2 4.2 94 93 A L H X S+ 0 0 30 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.919 112.4 44.1 -58.6 -44.7 13.2 6.3 2.8 95 94 A R H < S+ 0 0 178 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.826 109.3 56.5 -72.9 -33.0 13.2 4.2 -0.4 96 95 A L H < S+ 0 0 57 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.885 113.5 41.2 -60.9 -44.0 9.3 4.2 -0.5 97 96 A D H < S- 0 0 5 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.1 0.966 87.2-170.6 -67.8 -55.9 9.5 8.0 -0.5 98 97 A G < + 0 0 61 -4,-2.9 -3,-0.1 1,-0.2 -4,-0.1 0.478 44.5 105.9 83.7 3.6 12.4 8.1 -2.9 99 98 A T S > S- 0 0 49 -5,-0.3 3,-1.2 1,-0.1 -1,-0.2 -0.867 74.8-124.4-120.4 151.6 13.2 11.9 -2.6 100 99 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.810 111.5 38.5 -65.7 -25.8 16.0 13.6 -0.8 101 100 A N T 3 S- 0 0 80 -54,-0.1 -53,-3.3 -4,-0.1 6,-0.3 0.245 110.3-111.6-110.2 13.4 13.7 15.7 1.3 102 101 A K <> + 0 0 8 -3,-1.2 4,-1.4 -55,-0.2 5,-0.2 0.855 68.0 147.8 59.3 35.6 10.9 13.2 1.9 103 102 A G T 4 + 0 0 28 3,-0.2 -1,-0.1 2,-0.2 -5,-0.0 0.558 59.4 54.2 -78.4 -14.7 8.7 15.4 -0.3 104 103 A K T 4 S+ 0 0 134 -5,-0.1 -1,-0.1 2,-0.0 -7,-0.1 0.942 124.3 17.3 -84.3 -58.8 6.6 12.5 -1.7 105 104 A L T 4 S- 0 0 4 -12,-0.1 -36,-0.2 -6,-0.1 -2,-0.2 0.745 111.2-115.7 -84.9 -28.0 5.2 10.8 1.4 106 105 A G >X - 0 0 0 -4,-1.4 4,-2.2 3,-0.1 3,-1.6 0.347 8.5-114.4 94.0 131.3 5.9 13.7 3.8 107 106 A A H 3> S+ 0 0 2 -59,-3.4 4,-2.7 -6,-0.3 5,-0.2 0.820 119.9 60.7 -64.1 -27.9 8.4 13.6 6.8 108 107 A N H 34 S+ 0 0 3 -60,-0.7 -1,-0.3 2,-0.2 4,-0.2 0.515 106.5 44.8 -80.1 -5.3 5.3 14.0 8.9 109 108 A A H <> S+ 0 0 0 -3,-1.6 4,-1.1 2,-0.1 -2,-0.2 0.785 118.6 41.9 -90.6 -46.6 3.9 10.7 7.5 110 109 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.898 108.1 57.8 -67.1 -44.5 7.3 8.8 7.9 111 110 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.913 103.5 51.3 -60.7 -44.9 8.4 10.1 11.3 112 111 A G H > S+ 0 0 0 -5,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 113.1 47.4 -58.0 -39.8 5.2 8.9 13.2 113 112 A C H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.939 111.0 51.2 -64.3 -47.7 5.8 5.4 11.7 114 113 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 212,-0.3 -2,-0.2 0.921 114.9 42.5 -55.5 -50.1 9.5 5.5 12.6 115 114 A M H X S+ 0 0 1 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.925 114.6 48.9 -64.3 -49.8 8.8 6.4 16.3 116 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.899 108.6 54.6 -63.9 -38.7 5.9 4.0 16.8 117 116 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.938 107.1 51.0 -50.8 -52.6 7.9 1.1 15.3 118 117 A S H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.870 110.2 49.6 -61.9 -33.6 10.7 1.8 17.8 119 118 A K H X S+ 0 0 63 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.902 110.7 48.4 -70.2 -43.0 8.1 1.7 20.6 120 119 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.878 113.4 49.5 -61.0 -42.4 6.6 -1.6 19.4 121 120 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 -38,-0.3 -2,-0.2 0.924 107.9 52.3 -60.8 -47.7 10.2 -3.0 19.2 122 121 A A H X>S+ 0 0 3 -4,-2.7 5,-2.0 1,-0.2 4,-0.7 0.943 111.2 48.2 -56.4 -44.0 11.1 -1.8 22.7 123 122 A A H ><5S+ 0 0 34 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.910 108.6 53.1 -62.0 -40.9 8.0 -3.6 24.0 124 123 A A H 3<5S+ 0 0 21 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 111.7 46.5 -62.7 -33.3 8.9 -6.8 22.0 125 124 A K H 3<5S- 0 0 136 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.500 112.6-122.3 -83.3 -9.3 12.4 -6.8 23.7 126 125 A G T <<5S+ 0 0 65 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.823 73.5 109.2 66.8 36.0 10.9 -6.1 27.1 127 126 A V S > - 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