==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JAN-10 3LEH . COMPND 2 MOLECULE: PUTATIVE HYDROXYMETHYLGLUTARYL-COA SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR X.-D.SU,Y.H.LIU,X.LIU . 356 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 16.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 3 1 1 0 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 1 1 2 0 1 0 1 2 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 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 M 0 0 136 0, 0.0 2,-0.5 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 130.4 9.6 -24.1 -0.8 2 2 A R + 0 0 69 2,-0.0 161,-2.4 166,-0.0 2,-0.4 -0.978 360.0 172.0-111.8 124.4 12.4 -21.5 0.0 3 3 A I E +A 162 0A 9 -2,-0.5 166,-2.5 166,-0.4 2,-0.3 -0.995 20.1 98.2-127.8 141.4 11.2 -17.9 -0.8 4 4 A G E -AB 161 168A 0 157,-2.6 157,-1.9 -2,-0.4 2,-0.7 -0.965 68.3 -20.2 176.7-155.4 13.1 -14.7 0.0 5 5 A I E +AB 160 167A 1 162,-1.9 162,-3.0 -2,-0.3 161,-1.4 -0.706 45.8 172.6 -87.1 112.3 15.4 -11.8 -0.8 6 6 A D E + 0 0 0 153,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.804 66.9 7.0 -84.4 -42.9 17.5 -12.9 -3.9 7 7 A K E -A 159 0A 15 152,-1.1 152,-2.3 158,-0.1 2,-0.4 -0.995 59.2-156.3-145.6 148.0 19.2 -9.5 -4.5 8 8 A I E -A 158 0A 6 300,-0.4 2,-0.3 -2,-0.3 150,-0.2 -0.992 12.1-176.0-126.8 125.5 19.5 -6.2 -2.9 9 9 A G E -A 157 0A 1 148,-2.7 148,-2.6 -2,-0.4 2,-0.4 -0.842 3.7-167.8-111.2 159.8 20.3 -2.9 -4.7 10 10 A F E +A 156 0A 9 -2,-0.3 2,-0.4 146,-0.2 146,-0.2 -0.995 8.3 179.4-149.7 139.9 20.8 0.5 -3.2 11 11 A T E -A 155 0A 15 144,-2.2 144,-2.1 -2,-0.4 2,-0.2 -0.996 3.2-175.3-136.2 128.8 21.1 4.0 -4.5 12 12 A S E -A 154 0A 11 -2,-0.4 142,-0.2 142,-0.2 2,-0.0 -0.616 37.6 -88.2-107.3-177.9 21.6 7.2 -2.7 13 13 A S - 0 0 2 140,-0.6 -1,-0.2 -2,-0.2 31,-0.1 -0.274 38.1-111.8 -83.3-176.5 21.6 10.8 -4.1 14 14 A Q S S+ 0 0 56 331,-0.5 307,-3.3 29,-0.1 2,-0.3 0.296 87.7 69.5-104.4 3.8 24.8 12.4 -5.5 15 15 A Y E -Kl 43 321B 18 28,-1.0 28,-1.9 305,-0.3 2,-0.4 -0.891 59.0-159.4-125.2 153.3 25.5 15.1 -2.9 16 16 A V E -Kl 42 322B 9 305,-2.0 307,-1.8 -2,-0.3 2,-0.5 -1.000 6.7-158.3-135.6 137.2 26.5 14.9 0.7 17 17 A L E -K 41 0B 0 24,-2.9 24,-2.1 -2,-0.4 2,-0.2 -0.961 23.0-136.5-114.0 122.5 26.2 17.5 3.6 18 18 A N E >> -K 40 0B 50 -2,-0.5 4,-1.7 305,-0.5 3,-0.5 -0.608 8.7-133.9 -81.2 142.5 28.7 16.9 6.4 19 19 A M H 3> S+ 0 0 2 20,-2.7 4,-2.8 1,-0.3 21,-0.1 0.831 104.7 57.7 -65.2 -34.1 27.3 17.1 9.9 20 20 A K H 3> S+ 0 0 144 19,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.832 106.2 50.9 -67.4 -29.9 30.2 19.3 11.2 21 21 A D H <> S+ 0 0 61 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.916 111.2 46.1 -70.9 -43.8 29.4 21.8 8.5 22 22 A L H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.873 113.3 51.9 -60.7 -42.6 25.7 21.9 9.5 23 23 A A H X>S+ 0 0 7 -4,-2.8 5,-1.9 2,-0.2 4,-0.5 0.961 109.6 46.9 -62.5 -50.4 26.8 22.2 13.1 24 24 A E H ><5S+ 0 0 84 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.867 114.5 49.7 -58.6 -39.0 29.2 25.1 12.4 25 25 A A H 3<5S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 116.9 38.0 -71.9 -35.7 26.5 26.9 10.4 26 26 A R H 3<5S- 0 0 82 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.363 106.4-122.8 -96.0 8.7 23.7 26.6 12.9 27 27 A G T <<5 0 0 66 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.939 360.0 360.0 42.5 59.1 26.0 27.2 15.9 28 28 A E < 0 0 66 -5,-1.9 3,-0.4 -6,-0.1 -1,-0.2 -0.397 360.0 360.0 -77.3 360.0 25.1 23.8 17.6 29 ! 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 30 31 A Q 0 0 99 0, 0.0 4,-0.5 0, 0.0 -10,-0.1 0.000 360.0 360.0 360.0 45.9 29.8 18.5 17.1 31 32 A K > + 0 0 121 -3,-0.4 4,-1.1 2,-0.2 5,-0.4 0.299 360.0 67.5 -93.2 4.2 26.8 17.1 19.1 32 33 A F T 4>S+ 0 0 12 3,-0.2 6,-1.6 2,-0.2 5,-1.4 0.782 97.4 53.0 -84.3 -32.5 25.5 15.3 16.0 33 34 A S T 45S+ 0 0 58 4,-0.2 -2,-0.2 3,-0.2 -1,-0.1 0.816 123.4 27.8 -70.4 -33.4 28.5 13.0 16.1 34 35 A K T 45S+ 0 0 67 -4,-0.5 -2,-0.2 3,-0.1 -3,-0.1 0.874 127.5 42.9 -88.3 -52.2 27.8 12.1 19.8 35 36 A G T <5S+ 0 0 28 -4,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.989 133.1 13.6 -58.2 -75.3 24.0 12.6 19.9 36 37 A L T 5S- 0 0 26 -5,-0.4 183,-2.1 -4,-0.3 184,-0.2 0.704 92.8-130.1 -74.6 -22.7 22.6 11.1 16.7 37 38 A L < + 0 0 40 -5,-1.4 2,-0.4 1,-0.2 -4,-0.2 0.952 61.8 140.4 58.8 56.8 25.9 9.2 15.8 38 39 A L + 0 0 0 -6,-1.6 -1,-0.2 1,-0.1 216,-0.1 -0.996 34.1 176.5-132.5 127.0 25.7 10.7 12.3 39 40 A N - 0 0 66 214,-2.2 -20,-2.7 -2,-0.4 -19,-0.5 0.792 66.9 -4.6 -95.6 -33.9 28.6 12.0 10.2 40 41 A A E -K 18 0B 1 213,-1.6 2,-0.4 -22,-0.3 -1,-0.3 -0.972 57.4-142.6-159.7 155.5 27.0 13.0 6.9 41 42 A L E -K 17 0B 0 -24,-2.1 -24,-2.9 -2,-0.3 2,-0.4 -0.975 21.8-117.2-134.1 147.6 23.7 12.9 5.0 42 43 A S E -K 16 0B 0 213,-2.3 2,-0.4 -2,-0.4 -26,-0.3 -0.674 29.5-159.0 -78.0 132.1 22.7 12.4 1.4 43 44 A I E -K 15 0B 0 -28,-1.9 -28,-1.0 -2,-0.4 -29,-0.1 -0.937 4.1-149.6-121.4 139.3 21.1 15.5 -0.2 44 45 A A - 0 0 1 -2,-0.4 302,-0.1 -31,-0.1 2,-0.0 -0.886 6.3-139.3-111.3 135.6 18.9 15.1 -3.2 45 46 A P > - 0 0 4 0, 0.0 3,-1.2 0, 0.0 287,-0.1 -0.283 38.3 -99.2 -83.2 177.1 18.5 17.8 -5.9 46 47 A I T 3 S+ 0 0 23 1,-0.2 290,-0.1 285,-0.2 286,-0.0 0.756 121.3 61.6 -74.5 -18.4 14.9 18.3 -7.2 47 48 A T T 3 S+ 0 0 8 1,-0.2 304,-3.3 295,-0.1 2,-0.5 0.471 97.6 62.8 -84.2 -0.9 15.7 16.2 -10.3 48 49 A D S < S+ 0 0 4 -3,-1.2 -1,-0.2 302,-0.2 2,-0.1 -0.905 73.0 153.2-125.1 99.7 16.4 13.1 -8.2 49 50 A D > - 0 0 24 -2,-0.5 4,-2.7 -3,-0.0 5,-0.3 -0.398 61.0 -71.7-118.2-169.0 13.3 12.2 -6.3 50 51 A V H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 128.9 49.8 -55.7 -41.4 11.7 9.0 -4.9 51 52 A V H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.867 113.5 42.5 -59.7 -47.1 10.9 7.6 -8.3 52 53 A T H > S+ 0 0 3 -3,-0.3 4,-2.8 2,-0.2 297,-0.2 0.905 115.4 49.9 -77.5 -37.7 14.4 8.1 -9.8 53 54 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 102,-0.2 0.920 112.6 49.3 -62.1 -42.6 16.1 6.9 -6.6 54 55 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.939 112.4 45.4 -54.8 -56.4 13.8 3.9 -6.7 55 56 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.917 111.4 54.9 -54.7 -46.5 14.5 3.1 -10.3 56 57 A G H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.936 106.9 49.3 -43.5 -56.2 18.3 3.6 -9.7 57 58 A S H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 100,-0.3 0.899 113.5 46.4 -67.9 -33.8 18.3 1.1 -6.9 58 59 A A H >X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-1.3 0.871 104.4 60.5 -69.0 -40.1 16.5 -1.5 -9.1 59 60 A N H 3< S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.853 96.4 65.8 -56.3 -29.4 18.8 -0.8 -12.1 60 61 A E T 3< S+ 0 0 74 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.834 119.2 15.6 -57.6 -34.6 21.6 -2.0 -9.7 61 62 A I T <4 S+ 0 0 23 -3,-1.3 2,-0.2 -4,-0.4 -2,-0.2 0.605 93.8 106.0-124.2 -14.1 20.3 -5.5 -9.6 62 63 A L < - 0 0 21 -4,-2.1 2,-0.3 4,-0.1 3,-0.0 -0.526 42.8-162.8 -86.7 141.7 17.8 -6.4 -12.2 63 64 A T > - 0 0 61 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.721 37.7-103.9-105.4 167.8 18.5 -8.6 -15.3 64 65 A A H > S+ 0 0 87 -2,-0.3 4,-1.2 1,-0.2 5,-0.2 0.904 124.6 52.0 -51.1 -44.4 16.5 -8.9 -18.5 65 66 A E H >> S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 3,-0.9 0.950 107.5 52.2 -61.4 -49.7 15.2 -12.3 -17.1 66 67 A D H 3> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.915 106.9 53.4 -46.5 -50.0 14.0 -10.6 -13.9 67 68 A K H 3< S+ 0 0 56 -4,-2.5 30,-2.5 1,-0.2 -1,-0.3 0.778 109.4 47.2 -62.9 -26.0 12.2 -8.0 -15.9 68 69 A E H << S+ 0 0 69 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.765 118.4 41.6 -83.9 -26.3 10.3 -10.7 -17.9 69 70 A K H < S+ 0 0 64 -4,-1.8 61,-1.6 -3,-0.3 2,-0.4 0.648 88.0 98.7 -99.5 -17.5 9.4 -12.6 -14.6 70 71 A I E < +c 130 0A 0 -4,-2.4 61,-0.2 -5,-0.2 27,-0.2 -0.549 36.2 164.8 -69.2 124.0 8.5 -9.7 -12.3 71 72 A D E + 0 0 33 59,-2.0 30,-2.0 -2,-0.4 2,-0.3 0.261 62.6 53.1-125.0 13.0 4.7 -9.3 -12.2 72 73 A M E -cd 131 101A 0 58,-0.6 60,-2.5 28,-0.3 2,-0.5 -0.951 56.3-177.5-148.1 128.1 4.4 -7.1 -9.0 73 74 A V E -cd 132 102A 0 28,-2.2 30,-1.8 -2,-0.3 2,-0.5 -0.994 11.5-172.5-126.8 110.9 6.3 -3.7 -8.3 74 75 A I E -cd 133 103A 0 58,-2.6 60,-3.2 -2,-0.5 2,-0.7 -0.962 11.6-158.2-114.5 135.4 5.7 -2.2 -5.0 75 76 A L E -cd 134 104A 0 28,-2.5 30,-2.6 -2,-0.5 2,-0.6 -0.893 4.4-166.2-110.6 107.4 6.9 1.2 -3.9 76 77 A A E +cd 135 105A 0 58,-3.7 60,-1.8 -2,-0.7 2,-0.3 -0.875 35.2 133.8 -89.6 121.8 7.1 1.6 -0.1 77 78 A T - 0 0 2 28,-1.6 30,-0.2 -2,-0.6 60,-0.2 -0.988 51.0-160.3-161.2 151.5 7.5 5.4 0.6 78 79 A E 0 0 71 -2,-0.3 59,-0.1 58,-0.3 -1,-0.1 0.292 360.0 360.0-113.0 15.8 6.2 8.2 2.7 79 80 A S 0 0 72 57,-0.4 -2,-0.1 60,-0.0 58,-0.1 0.239 360.0 360.0-121.6 360.0 7.5 10.8 0.2 80 ! 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 81 83 A D 0 0 165 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 1.3 12.7 -7.0 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 85 A S 0 0 144 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.4 -3.3 9.7 -6.5 84 86 A K - 0 0 83 1,-0.1 2,-0.2 2,-0.1 19,-0.1 -0.437 360.0-122.2 -72.1 127.8 -0.8 7.9 -9.0 85 87 A A >> - 0 0 18 -2,-0.3 3,-2.4 17,-0.2 4,-0.7 -0.446 8.2-134.8 -68.7 127.9 1.6 5.4 -7.4 86 88 A G H 3> S+ 0 0 4 1,-0.3 4,-2.3 -2,-0.2 3,-0.2 0.805 101.9 75.7 -44.7 -28.8 5.4 6.1 -8.0 87 89 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.749 85.4 59.6 -62.7 -24.4 5.5 2.4 -8.8 88 90 A V H <> S+ 0 0 63 -3,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.933 107.2 45.2 -74.7 -40.9 3.9 3.0 -12.3 89 91 A Y H X S+ 0 0 34 -4,-0.7 4,-2.6 -3,-0.2 5,-0.2 0.925 113.5 50.3 -64.3 -45.1 6.8 5.3 -13.3 90 92 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.948 105.9 56.3 -57.4 -47.9 9.3 2.9 -12.0 91 93 A H H <>S+ 0 0 30 -4,-2.5 5,-1.8 2,-0.2 4,-0.4 0.907 113.2 40.8 -45.8 -48.8 7.7 -0.0 -13.9 92 94 A S H ><5S+ 0 0 88 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.979 111.8 53.6 -72.1 -46.3 8.1 1.9 -17.2 93 95 A L H 3<5S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.806 113.6 44.9 -52.7 -33.5 11.6 3.2 -16.5 94 96 A L T 3<5S- 0 0 3 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.495 107.2-126.8 -92.9 -8.0 12.8 -0.3 -15.8 95 97 A G T < 5 + 0 0 53 -3,-2.0 -3,-0.2 -4,-0.4 2,-0.1 0.875 41.4 176.2 66.6 30.5 11.1 -1.9 -18.7 96 98 A I < - 0 0 9 -5,-1.8 -28,-0.2 -6,-0.2 -1,-0.2 -0.471 43.2 -87.9 -66.6 146.9 9.3 -4.5 -16.7 97 99 A Q - 0 0 45 -30,-2.5 -1,-0.1 -27,-0.2 -29,-0.0 -0.235 40.8-119.1 -59.7 149.2 6.9 -6.8 -18.6 98 100 A P S S+ 0 0 94 0, 0.0 2,-2.5 0, 0.0 -1,-0.1 0.786 94.9 80.1 -71.2 -33.7 3.4 -5.2 -18.8 99 101 A F S S+ 0 0 177 -27,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.377 74.3 110.3 -75.9 63.6 1.2 -7.8 -17.0 100 102 A A - 0 0 28 -2,-2.5 2,-0.4 -4,-0.1 -28,-0.3 -0.964 68.2-120.6-132.7 153.5 2.1 -6.7 -13.5 101 103 A R E -d 72 0A 136 -30,-2.0 -28,-2.2 -2,-0.3 2,-0.3 -0.798 30.8-173.6 -86.9 135.3 0.5 -5.0 -10.6 102 104 A S E +d 73 0A 32 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.997 20.0 132.3-131.7 128.0 2.2 -1.7 -9.5 103 105 A F E -d 74 0A 55 -30,-1.8 -28,-2.5 -2,-0.3 2,-0.3 -0.975 45.0-105.3-165.8 171.2 1.2 0.3 -6.5 104 106 A E E -d 75 0A 74 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.773 18.0-152.5-101.0 149.9 2.4 2.0 -3.4 105 107 A M E -d 76 0A 45 -30,-2.6 -28,-1.6 -2,-0.3 2,-0.4 -0.986 16.3-167.5-121.8 138.8 2.3 1.0 0.2 106 108 A K + 0 0 174 -2,-0.4 -28,-0.1 -30,-0.2 3,-0.1 -0.977 35.7 119.4-135.8 127.6 2.2 3.6 3.0 107 109 A E S >> S- 0 0 52 1,-0.6 3,-1.7 -2,-0.4 4,-0.5 -0.215 75.8 -91.2-175.1 77.6 2.6 3.6 6.8 108 110 A A T 34 S- 0 0 14 1,-0.3 -1,-0.6 2,-0.2 3,-0.5 -0.165 97.2 -19.9 43.1-130.9 5.5 5.9 7.8 109 111 A C T 34 S+ 0 0 13 1,-0.2 3,-0.3 150,-0.1 -1,-0.3 0.552 130.8 71.6 -83.5 -10.6 8.8 3.9 8.0 110 112 A Y T X> + 0 0 27 -3,-1.7 3,-2.0 180,-0.2 4,-0.7 0.764 68.2 88.9 -71.5 -32.1 7.0 0.6 8.3 111 113 A S H 3X S+ 0 0 3 -4,-0.5 4,-2.2 -3,-0.5 3,-0.4 0.673 75.8 63.4 -55.2 -30.6 5.6 -0.1 4.8 112 114 A A H 3> S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.789 98.9 58.6 -65.4 -29.6 8.4 -1.9 3.1 113 115 A T H <> S+ 0 0 2 -3,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.915 108.6 44.4 -59.6 -39.3 8.0 -4.7 5.7 114 116 A A H X S+ 0 0 23 -4,-0.7 4,-2.4 -3,-0.4 5,-0.2 0.912 111.2 53.6 -69.4 -40.6 4.4 -5.2 4.5 115 117 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.876 109.3 49.8 -58.8 -41.9 5.5 -5.0 0.9 116 118 A L H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.917 111.1 48.9 -66.2 -42.8 8.1 -7.8 1.6 117 119 A N H X S+ 0 0 53 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.923 113.1 45.0 -62.9 -48.6 5.4 -10.0 3.2 118 120 A Y H X S+ 0 0 81 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.905 112.7 53.5 -57.6 -47.9 2.9 -9.6 0.4 119 121 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.935 110.0 48.0 -54.4 -44.6 5.8 -10.2 -2.1 120 122 A K H X S+ 0 0 10 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.896 112.6 45.7 -61.6 -46.2 6.7 -13.4 -0.3 121 123 A L H X S+ 0 0 81 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.838 111.4 54.9 -70.7 -37.0 3.1 -14.8 -0.2 122 124 A H H X S+ 0 0 11 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.908 109.2 45.0 -63.8 -46.1 2.6 -13.9 -3.7 123 125 A V H < S+ 0 0 0 -4,-2.3 6,-0.2 2,-0.2 -2,-0.2 0.917 111.0 55.7 -66.8 -39.0 5.8 -15.9 -4.9 124 126 A E H < S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.926 112.5 42.0 -49.5 -46.7 4.7 -18.8 -2.6 125 127 A K H < S+ 0 0 155 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.873 130.5 26.1 -75.4 -34.0 1.4 -18.9 -4.4 126 128 A H S >< S- 0 0 90 -4,-2.5 3,-2.2 -5,-0.1 -1,-0.3 -0.763 74.3-178.4-129.5 82.0 2.9 -18.3 -7.9 127 129 A P T 3 S+ 0 0 50 0, 0.0 35,-0.3 0, 0.0 -4,-0.1 0.497 73.5 64.2 -76.1 2.4 6.3 -19.7 -7.6 128 130 A D T 3 S+ 0 0 107 33,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.472 92.7 80.0 -93.4 -0.6 7.4 -18.9 -11.1 129 131 A T < - 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