==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-JUL-04 1TXT . COMPND 2 MOLECULE: 3-HYDROXY-3-METHYLGLUTARYL-COA SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR N.CAMPOBASSO,M.PATEL,I.E.WILDING,H.KALLENDER,M.ROSENBERG, . 1548 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1146 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 240 15.5 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 . 4 0.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 82 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 187 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 453 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.0 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 4 4 1 7 5 4 0 11 4 3 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 4 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 PARALLEL BRIDGES PER LADDER . 4 8 6 9 3 0 0 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 2 A T 0 0 38 0, 0.0 163,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.9 23.0 0.8 45.3 2 3 A I E +A 163 0A 21 168,-0.3 168,-2.0 161,-0.2 2,-0.3 -0.997 360.0 104.1-137.7 128.6 19.4 1.4 44.1 3 4 A G E -AB 162 169A 0 159,-2.1 159,-2.6 -2,-0.4 2,-0.6 -0.902 67.4 -21.5-170.2-157.6 16.1 0.6 45.7 4 5 A I E +AB 161 168A 2 164,-1.0 164,-2.1 -2,-0.3 163,-1.4 -0.599 46.1 173.0 -75.6 116.1 13.0 1.7 47.6 5 6 A D E + 0 0 15 155,-3.3 2,-0.3 -2,-0.6 -1,-0.2 0.811 67.8 4.7 -89.9 -34.8 13.8 5.0 49.3 6 7 A K E -A 160 0A 43 154,-1.2 154,-2.1 160,-0.1 -1,-0.3 -0.979 63.5-179.6-153.9 149.4 10.3 5.8 50.6 7 8 A I E +A 159 0A 4 317,-0.3 2,-0.3 -2,-0.3 152,-0.2 -0.984 8.1 157.5-160.8 142.7 7.0 4.0 50.7 8 9 A N E -A 158 0A 11 150,-1.8 150,-4.1 -2,-0.3 2,-0.3 -0.971 19.0-149.0-164.2 156.4 3.5 4.8 51.9 9 10 A F E -A 157 0A 2 -2,-0.3 2,-0.4 148,-0.3 148,-0.3 -0.903 1.1-156.0-132.0 161.1 0.0 3.7 51.3 10 11 A Y E -A 156 0A 22 146,-2.8 146,-2.6 -2,-0.3 47,-0.1 -0.999 8.3-178.5-136.7 138.7 -3.4 5.2 51.4 11 12 A V - 0 0 2 -2,-0.4 144,-0.2 144,-0.2 33,-0.0 -0.882 38.9 -92.0-122.9 157.4 -6.8 3.5 51.8 12 13 A P - 0 0 0 0, 0.0 32,-0.1 0, 0.0 31,-0.1 -0.182 37.7-109.3 -63.7 167.5 -10.3 5.2 51.9 13 14 A K S S+ 0 0 27 324,-0.1 325,-2.6 29,-0.1 2,-0.4 0.357 92.7 74.4 -89.0 7.4 -11.8 6.3 55.2 14 15 A Y E +Tu 43 338B 14 29,-0.7 29,-3.4 323,-0.2 2,-0.3 -0.963 50.5 170.5-122.7 138.8 -14.6 3.7 55.2 15 16 A Y E -Tu 42 339B 35 323,-1.4 325,-2.5 -2,-0.4 2,-0.4 -0.947 23.0-138.2-128.1 158.4 -14.5 0.0 56.0 16 17 A V E -Tu 41 340B 1 25,-2.7 25,-2.4 -2,-0.3 2,-0.4 -0.925 30.2-110.6-108.3 144.9 -17.1 -2.6 56.5 17 18 A D E > -T 40 0B 31 323,-0.6 4,-1.9 -2,-0.4 23,-0.2 -0.601 18.3-145.1 -78.4 129.3 -16.8 -5.3 59.2 18 19 A M H > S+ 0 0 0 21,-2.7 4,-2.7 -2,-0.4 -1,-0.1 0.783 98.6 56.1 -68.3 -31.3 -16.2 -8.7 57.7 19 20 A A H > S+ 0 0 22 20,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.922 109.8 47.4 -61.9 -45.5 -18.3 -10.5 60.4 20 21 A K H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.861 109.3 52.7 -66.0 -33.4 -21.2 -8.3 59.5 21 22 A L H X S+ 0 0 1 -4,-1.9 4,-1.4 2,-0.2 3,-0.5 0.997 106.9 53.4 -64.4 -56.0 -20.7 -8.9 55.8 22 23 A A H >X>S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 4,-1.5 0.897 108.5 49.3 -36.4 -59.6 -20.8 -12.7 56.5 23 24 A E H 3<5S+ 0 0 125 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.894 110.1 50.7 -52.5 -40.5 -24.2 -12.3 58.3 24 25 A A H 3<5S+ 0 0 47 -4,-1.9 -1,-0.3 -3,-0.5 -2,-0.2 0.695 116.8 41.7 -70.1 -15.3 -25.6 -10.3 55.5 25 26 A R H <<5S- 0 0 42 -3,-1.5 -2,-0.2 -4,-1.4 -1,-0.2 0.438 113.6-118.0-109.5 -4.8 -24.4 -13.1 53.1 26 27 A Q T <5S+ 0 0 184 -4,-1.5 2,-0.3 -3,-0.4 -3,-0.2 0.839 71.8 119.1 70.8 36.0 -25.5 -16.0 55.4 27 28 A V S > - 0 0 98 -2,-0.3 3,-4.1 1,-0.2 4,-0.5 -0.562 36.2-127.0 -68.3 122.9 -20.5 -18.1 59.4 29 30 A P H >> S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 3,-1.3 0.779 107.6 67.8 -35.7 -36.9 -18.3 -15.1 60.1 30 31 A N H 3>>S+ 0 0 80 1,-0.3 5,-2.1 2,-0.2 4,-2.0 0.651 83.9 69.7 -70.8 -13.5 -15.4 -17.4 60.7 31 32 A K H <4>S+ 0 0 124 -3,-4.1 5,-1.4 3,-0.2 -1,-0.3 0.846 112.9 31.2 -67.2 -33.7 -15.4 -18.4 57.0 32 33 A F H <<>S+ 0 0 9 -3,-1.3 6,-2.5 -4,-0.5 5,-1.1 0.811 121.3 49.7 -85.3 -38.1 -14.2 -14.8 56.4 33 34 A L H <5S+ 0 0 44 -4,-2.4 -3,-0.2 4,-0.2 -2,-0.2 0.884 135.7 3.9 -76.9 -36.4 -12.2 -14.3 59.5 34 35 A I T <5S+ 0 0 105 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.707 129.9 54.1-112.2 -45.8 -10.2 -17.5 59.5 35 36 A G T - 0 0 0 0, 0.0 3,-1.5 0, 0.0 317,-0.0 -0.408 33.0-106.9 -71.7 163.1 -16.6 6.6 48.6 46 47 A V T 3 S+ 0 0 4 1,-0.2 311,-0.1 310,-0.2 327,-0.1 0.901 117.6 65.9 -58.9 -32.0 -17.3 8.2 45.2 47 48 A N T 3 S+ 0 0 1 311,-0.2 326,-2.7 1,-0.1 2,-0.5 0.400 89.3 72.4 -73.2 -0.7 -14.9 11.0 46.1 48 49 A Q < + 0 0 1 -3,-1.5 2,-0.1 324,-0.2 -1,-0.1 -0.889 61.5 163.9-118.1 98.5 -11.9 8.6 46.1 49 50 A D > - 0 0 4 -2,-0.5 4,-2.3 1,-0.0 5,-0.3 -0.441 56.5 -88.9-104.1-178.9 -10.8 7.4 42.6 50 51 A I H > S+ 0 0 5 29,-0.2 4,-1.1 1,-0.2 5,-0.1 0.818 126.6 51.0 -65.1 -21.7 -7.5 5.8 41.6 51 52 A V H > S+ 0 0 0 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.963 111.5 43.8 -78.6 -51.8 -6.0 9.2 40.9 52 53 A S H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 319,-0.3 0.944 115.6 48.8 -58.0 -47.8 -6.9 10.8 44.3 53 54 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.886 112.6 50.7 -54.7 -37.3 -5.9 7.6 46.3 54 55 A G H X S+ 0 0 0 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.2 0.932 110.8 46.4 -69.6 -43.8 -2.7 7.7 44.3 55 56 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.903 111.4 53.3 -71.7 -35.6 -1.9 11.3 45.0 56 57 A N H X S+ 0 0 2 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.912 105.8 51.6 -62.1 -45.6 -2.7 10.7 48.7 57 58 A A H < S+ 0 0 0 -4,-2.6 101,-0.2 1,-0.2 -1,-0.2 0.839 119.4 38.5 -58.9 -29.0 -0.3 7.8 49.1 58 59 A A H >X S+ 0 0 0 -4,-1.3 3,-2.0 -5,-0.2 4,-1.0 0.811 95.7 76.2 -95.4 -33.1 2.4 10.0 47.5 59 60 A K H 3< S+ 0 0 60 -4,-3.0 3,-0.4 1,-0.3 -1,-0.1 0.818 94.3 52.7 -56.4 -36.3 1.9 13.5 49.0 60 61 A D T 3< S+ 0 0 110 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.691 113.1 44.6 -73.2 -13.7 3.3 12.6 52.4 61 62 A I T <4 S+ 0 0 15 -3,-2.0 2,-0.5 -4,-0.1 -1,-0.2 0.558 90.9 81.4-114.5 -6.9 6.5 11.3 51.0 62 63 A I < - 0 0 16 -4,-1.0 2,-0.1 -3,-0.4 -1,-0.0 -0.875 59.2-159.9-101.2 129.1 7.8 13.7 48.2 63 64 A T > - 0 0 72 -2,-0.5 4,-1.7 1,-0.1 -2,-0.0 -0.441 39.6 -96.5 -92.1 172.9 9.7 16.8 49.3 64 65 A D H > S+ 0 0 126 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.793 128.0 54.2 -55.2 -32.3 10.1 19.9 47.2 65 66 A E H >> S+ 0 0 109 2,-0.2 4,-1.4 1,-0.2 3,-0.8 0.903 101.3 55.0 -72.6 -44.3 13.4 18.4 46.2 66 67 A D H >> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 3,-1.0 0.939 101.0 62.0 -48.0 -47.1 12.0 15.2 45.0 67 68 A K H 3< S+ 0 0 58 -4,-1.7 31,-2.6 1,-0.3 -1,-0.2 0.811 107.9 42.6 -53.5 -33.8 9.7 17.2 42.7 68 69 A K H << S+ 0 0 150 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.746 118.0 46.2 -79.7 -27.2 12.8 18.5 40.9 69 70 A K H << S+ 0 0 64 -4,-1.4 62,-2.1 -3,-1.0 2,-0.4 0.574 80.3 106.5 -97.0 -16.7 14.5 15.1 40.8 70 71 A I E < +c 131 0A 0 -4,-2.1 62,-0.2 60,-0.2 3,-0.1 -0.575 37.4 175.9 -77.6 124.5 11.7 12.7 39.7 71 72 A G E + 0 0 3 60,-2.6 31,-1.7 -2,-0.4 2,-0.3 0.497 65.0 28.3-111.4 -14.8 12.4 11.7 36.1 72 73 A M E -cd 132 102A 0 59,-0.6 61,-2.3 29,-0.3 2,-0.6 -0.972 55.1-162.2-145.1 142.5 9.5 9.3 35.6 73 74 A V E -cd 133 103A 0 29,-2.9 31,-1.5 -2,-0.3 2,-0.5 -0.935 19.8-175.8-119.8 109.6 6.1 8.8 37.1 74 75 A I E -cd 134 104A 0 59,-2.4 61,-2.4 -2,-0.6 2,-0.5 -0.904 10.4-159.6-107.5 124.6 4.7 5.3 36.5 75 76 A V E -cd 135 105A 0 29,-2.0 31,-2.6 -2,-0.5 2,-0.5 -0.900 1.6-161.5-107.7 122.2 1.2 4.1 37.5 76 77 A A E +cd 136 106A 0 59,-2.5 61,-2.4 -2,-0.5 2,-0.3 -0.923 34.6 136.3 -97.4 121.8 0.5 0.4 37.9 77 78 A T - 0 0 1 29,-1.6 61,-0.1 -2,-0.5 32,-0.1 -0.967 46.8-169.4-163.2 148.4 -3.3 -0.3 37.8 78 79 A E S S+ 0 0 0 -2,-0.3 60,-0.1 59,-0.2 32,-0.1 0.099 90.9 72.0-120.1 19.2 -6.0 -2.6 36.4 79 80 A S S S+ 0 0 13 58,-0.5 -29,-0.2 393,-0.1 393,-0.1 -0.187 72.0 165.4-120.9 30.6 -8.7 -0.2 37.5 80 81 A A - 0 0 22 391,-0.3 3,-0.1 1,-0.1 6,-0.1 -0.129 32.7-156.6 -58.1 143.4 -7.9 2.5 34.9 81 82 A V S S+ 0 0 18 4,-0.1 495,-2.1 1,-0.1 2,-0.3 0.462 78.3 44.4 -94.9 -5.5 -10.4 5.4 34.3 82 83 A D B -V 575 0C 13 493,-0.3 5,-0.2 3,-0.1 -1,-0.1 -1.000 62.3-149.5-143.9 137.4 -9.2 6.1 30.8 83 84 A A S S+ 0 0 22 491,-2.8 385,-0.3 -2,-0.3 413,-0.1 0.606 99.7 14.6 -74.4 -13.2 -8.2 3.9 27.7 84 85 A A S S+ 0 0 0 1,-0.2 413,-2.9 490,-0.2 2,-0.5 0.729 107.1 71.6-129.3 -55.2 -5.7 6.5 26.5 85 86 A K S S- 0 0 2 411,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.541 78.5-127.2 -73.9 114.7 -4.6 9.2 28.9 86 87 A A >> - 0 0 0 -2,-0.5 3,-1.1 17,-0.2 4,-1.0 -0.440 5.4-135.3 -62.7 131.9 -2.4 7.8 31.7 87 88 A A H 3> S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.765 103.1 74.0 -49.6 -27.5 -3.4 8.5 35.3 88 89 A A H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.911 92.2 51.6 -58.2 -43.8 0.4 9.2 35.7 89 90 A V H <> S+ 0 0 0 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.950 111.3 47.9 -56.3 -48.0 -0.0 12.5 33.9 90 91 A Q H X S+ 0 0 11 -4,-1.0 4,-2.6 1,-0.2 3,-0.3 0.954 115.0 44.4 -61.5 -48.6 -2.9 13.5 36.2 91 92 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.897 108.2 57.6 -60.8 -42.0 -0.9 12.5 39.3 92 93 A H H <>S+ 0 0 11 -4,-3.0 5,-2.1 -5,-0.2 4,-0.3 0.871 111.5 45.3 -52.0 -41.4 2.2 14.3 38.0 93 94 A N H ><5S+ 0 0 62 -4,-1.8 3,-1.8 -3,-0.3 -2,-0.2 0.966 109.5 51.4 -70.6 -57.1 0.1 17.4 37.8 94 95 A L H 3<5S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.882 116.2 42.9 -47.0 -39.5 -1.6 17.1 41.2 95 96 A L T 3<5S- 0 0 3 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.460 105.5-128.9 -92.3 -1.1 1.8 16.7 42.9 96 97 A G T < 5 + 0 0 49 -3,-1.8 2,-0.2 -4,-0.3 -3,-0.2 0.890 40.3 174.4 55.9 47.0 3.6 19.5 40.9 97 98 A I < - 0 0 8 -5,-2.1 -29,-0.2 -6,-0.1 -1,-0.2 -0.605 44.6 -86.0 -82.9 144.5 6.6 17.3 39.8 98 99 A Q - 0 0 40 -31,-2.6 -1,-0.1 -2,-0.2 468,-0.1 -0.131 39.9-119.6 -50.2 147.7 8.9 19.0 37.3 99 100 A P S S+ 0 0 50 0, 0.0 467,-2.8 0, 0.0 2,-1.8 0.662 93.4 85.1 -79.7 -15.7 7.8 18.6 33.7 100 101 A F S S+ 0 0 39 465,-0.2 2,-0.3 -30,-0.1 465,-0.2 -0.529 71.6 109.5 -87.9 77.9 10.8 16.8 32.1 101 102 A A S S- 0 0 0 -2,-1.8 2,-0.4 462,-0.1 -29,-0.3 -0.979 70.5-118.2-152.9 142.2 9.5 13.3 33.2 102 103 A R E -d 72 0A 5 -31,-1.7 -29,-2.9 -2,-0.3 2,-0.4 -0.790 32.4-169.2 -87.6 129.7 8.1 10.2 31.4 103 104 A C E +d 73 0A 0 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.999 22.9 134.6-120.7 133.7 4.5 9.6 32.6 104 105 A F E -d 74 0A 0 -31,-1.5 -29,-2.0 -2,-0.4 2,-0.3 -0.967 44.3-118.6-167.2 150.4 2.8 6.4 31.7 105 106 A E E -dE 75 495A 1 390,-3.1 390,-2.4 -2,-0.3 2,-0.3 -0.710 18.6-153.3 -88.8 151.7 0.7 3.5 33.1 106 107 A M E -dE 76 494A 0 -31,-2.6 -29,-1.6 -2,-0.3 2,-0.4 -0.976 12.1-163.3-122.2 149.2 1.6 -0.2 33.1 107 108 A K E + E 0 493A 10 386,-2.2 386,-3.3 -2,-0.3 -29,-0.1 -0.993 37.1 124.0-140.1 127.4 -0.9 -3.1 33.1 108 109 A E S >> S- 0 0 0 1,-0.6 3,-2.5 -2,-0.4 4,-0.6 -0.183 75.6 -93.3-176.1 75.2 -0.9 -6.8 33.9 109 110 A A G >4 S- 0 0 0 363,-2.9 3,-0.7 1,-0.3 -1,-0.6 -0.055 98.6 -16.9 42.6-131.3 -3.5 -7.5 36.5 110 111 A X G 34 S+ 0 0 9 1,-0.2 3,-0.3 166,-0.1 -1,-0.3 0.410 128.7 73.8 -84.1 5.8 -2.0 -7.3 40.0 111 112 A Y G X4 + 0 0 0 -3,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.732 63.2 93.1 -90.5 -24.4 1.6 -7.6 38.8 112 113 A A T S+ 0 0 0 -3,-0.3 4,-1.9 164,-0.2 -1,-0.3 0.769 98.2 58.9 -77.9 -24.6 4.0 -2.4 40.2 114 115 A T H <> S+ 0 0 0 -3,-1.9 4,-2.9 2,-0.2 3,-0.3 0.971 108.6 39.6 -66.6 -58.5 6.9 -4.9 40.1 115 116 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.897 112.2 62.0 -62.7 -35.3 8.1 -4.2 36.5 116 117 A A H X S+ 0 0 0 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.925 113.7 31.9 -50.2 -47.3 7.3 -0.6 37.4 117 118 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.3 -1,-0.2 0.806 117.7 53.5 -86.6 -31.5 10.1 -0.6 40.2 118 119 A Q H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.916 113.2 43.7 -67.3 -43.5 12.4 -3.0 38.6 119 120 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.793 110.2 56.6 -72.7 -28.5 12.6 -0.9 35.4 120 121 A A H X S+ 0 0 0 -4,-1.1 4,-2.4 -5,-0.3 -2,-0.2 0.934 106.6 50.2 -61.4 -48.9 12.9 2.3 37.4 121 122 A K H X S+ 0 0 23 -4,-2.2 4,-0.6 2,-0.2 3,-0.4 0.963 112.6 45.9 -50.4 -54.2 16.0 0.7 39.1 122 123 A D H >< S+ 0 0 13 -4,-2.1 3,-1.0 1,-0.3 4,-0.3 0.877 111.1 54.2 -61.3 -41.3 17.4 -0.1 35.5 123 124 A Y H 3< S+ 0 0 15 -4,-2.9 3,-0.5 1,-0.2 -1,-0.3 0.874 107.3 50.8 -53.7 -43.0 16.5 3.4 34.4 124 125 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 -3,-0.4 -1,-0.2 0.573 80.1 97.1 -77.7 -4.9 18.4 4.9 37.3 125 126 A A T << S+ 0 0 52 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.872 99.8 24.9 -55.4 -45.3 21.7 3.0 36.7 126 127 A T T 3 S+ 0 0 82 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.159 112.9 74.2-102.7 13.9 23.4 5.8 34.8 127 128 A R X + 0 0 34 -3,-1.8 3,-2.0 1,-0.1 -1,-0.2 -0.594 52.9 170.8-127.8 69.6 21.3 8.7 36.4 128 129 A P T 3 S+ 0 0 50 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 0.616 75.6 48.2 -63.2 -16.2 22.6 9.1 39.9 129 130 A N T 3 S+ 0 0 85 33,-0.1 2,-0.2 2,-0.0 -5,-0.0 0.255 95.4 87.7-107.0 11.1 20.7 12.4 40.6 130 131 A E < - 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