==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-OCT-04 1XPK . COMPND 2 MOLECULE: 3-HYDROXY-3-METHYLGLUTARYL COA SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR M.J.THEISEN,I.MISRA,D.SAADAT,N.CAMPOBASSO,H.M.MIZIORKO,D.H.T . 1548 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1131 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 5.7 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 . 81 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 181 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 445 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.1 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 4 4 4 3 5 4 0 16 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 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 8 4 0 0 8 4 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 . 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 0 113 0, 0.0 163,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.3 0.8 25.1 6.2 2 3 A I E +A 163 0A 19 168,-0.4 168,-2.1 161,-0.3 2,-0.3 -0.993 360.0 95.1-140.5 132.0 1.5 21.7 4.6 3 4 A G E S-AB 162 169A 0 159,-2.7 159,-2.5 -2,-0.4 2,-0.7 -0.942 70.1 -14.4-178.5-157.8 0.8 20.6 1.1 4 5 A I E +AB 161 168A 2 164,-0.7 164,-2.0 -2,-0.3 163,-1.3 -0.589 47.8 169.9 -74.1 108.9 1.9 20.1 -2.5 5 6 A D E + 0 0 16 155,-3.4 2,-0.3 -2,-0.7 -1,-0.2 0.834 69.6 10.1 -88.1 -37.8 5.2 22.0 -2.9 6 7 A K E -A 160 0A 47 154,-1.2 154,-2.5 160,-0.1 2,-0.3 -0.985 66.6-179.0-141.4 149.4 6.1 20.7 -6.3 7 8 A I E +A 159 0A 6 -2,-0.3 2,-0.3 317,-0.3 152,-0.2 -0.995 8.9 154.4-150.8 146.7 4.2 18.6 -8.8 8 9 A N E -A 158 0A 9 150,-2.0 150,-2.9 -2,-0.3 2,-0.3 -0.980 19.3-149.6-164.2 161.5 5.0 17.1 -12.2 9 10 A F E -A 157 0A 2 -2,-0.3 2,-0.3 148,-0.2 148,-0.2 -0.916 1.6-158.6-136.6 165.7 4.0 14.3 -14.6 10 11 A Y E -A 156 0A 23 146,-2.2 146,-2.1 -2,-0.3 47,-0.1 -0.993 7.3-178.1-143.8 143.1 5.5 12.1 -17.3 11 12 A V - 0 0 2 -2,-0.3 144,-0.2 144,-0.2 -2,-0.0 -0.944 39.7 -88.1-136.4 154.6 3.9 10.2 -20.1 12 13 A P - 0 0 0 0, 0.0 31,-0.2 0, 0.0 142,-0.1 -0.272 38.0-110.5 -64.8 152.7 5.6 7.9 -22.7 13 14 A K S S+ 0 0 29 324,-0.1 325,-3.0 29,-0.1 2,-0.3 0.388 93.6 71.1 -65.3 2.1 7.0 9.4 -25.9 14 15 A Y E +Tu 43 338B 15 29,-0.7 29,-2.9 323,-0.2 2,-0.3 -0.877 51.7 167.5-123.4 155.7 4.3 7.6 -28.1 15 16 A Y E -Tu 42 339B 30 323,-1.4 325,-1.9 -2,-0.3 2,-0.4 -0.975 25.4-133.1-160.9 150.2 0.5 8.0 -28.6 16 17 A V E -T 41 0B 0 25,-2.4 25,-2.6 -2,-0.3 2,-0.4 -0.890 30.6-113.3-109.6 139.3 -2.1 6.8 -31.0 17 18 A D E > -T 40 0B 38 323,-0.4 4,-2.0 -2,-0.4 23,-0.2 -0.574 18.5-144.5 -72.4 125.4 -4.7 9.2 -32.5 18 19 A M H > S+ 0 0 1 21,-2.3 4,-2.3 -2,-0.4 -1,-0.1 0.803 99.9 56.5 -61.1 -32.3 -8.2 8.3 -31.2 19 20 A A H > S+ 0 0 29 20,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.932 108.7 48.3 -65.1 -42.5 -9.8 9.2 -34.5 20 21 A K H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.892 111.3 49.3 -63.3 -41.0 -7.5 6.6 -36.1 21 22 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.886 108.0 54.4 -65.9 -39.8 -8.3 4.0 -33.5 22 23 A A H <>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 4,-0.3 0.948 111.9 43.5 -58.9 -50.3 -12.1 4.6 -33.9 23 24 A E H ><5S+ 0 0 101 -4,-2.1 3,-2.6 1,-0.2 -2,-0.2 0.971 114.1 49.4 -59.1 -54.8 -11.8 3.9 -37.6 24 25 A A H 3<5S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 114.7 47.2 -53.7 -32.1 -9.6 0.9 -37.1 25 26 A R T 3<5S- 0 0 41 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.464 116.0-119.7 -89.3 -1.4 -12.1 -0.2 -34.6 26 27 A Q T < 5S+ 0 0 90 -3,-2.6 2,-0.3 -4,-0.3 -3,-0.2 0.966 71.2 120.7 62.0 54.9 -15.0 0.5 -37.0 27 28 A V S > - 0 0 95 -2,-0.3 3,-2.5 1,-0.2 4,-0.6 -0.487 34.9-139.7 -64.7 122.9 -17.7 6.7 -35.2 29 30 A P H >> S+ 0 0 34 0, 0.0 4,-2.9 0, 0.0 3,-1.7 0.871 102.0 64.4 -52.0 -37.4 -14.7 8.7 -34.1 30 31 A N H 3>>S+ 0 0 87 1,-0.3 5,-3.0 2,-0.2 4,-2.2 0.712 88.0 69.0 -61.3 -18.3 -17.0 11.2 -32.4 31 32 A K H <4>S+ 0 0 79 -3,-2.5 5,-1.2 3,-0.2 -1,-0.3 0.877 114.1 29.0 -65.9 -35.0 -17.9 8.3 -30.1 32 33 A F H <<>S+ 0 0 12 -3,-1.7 6,-2.5 -4,-0.6 5,-1.1 0.930 124.4 46.2 -86.1 -55.3 -14.3 8.7 -28.8 33 34 A L H <5S+ 0 0 49 -4,-2.9 -3,-0.2 4,-0.2 -2,-0.2 0.811 138.8 5.6 -58.2 -36.7 -13.7 12.4 -29.4 34 35 A I T <5S+ 0 0 119 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.1 0.743 124.4 61.1-114.5 -51.7 -17.0 13.4 -27.9 35 36 A G T - 0 0 1 0, 0.0 3,-1.9 0, 0.0 317,-0.0 -0.650 33.0-112.8 -85.9 147.1 7.1 1.3 -25.2 46 47 A V T 3 S+ 0 0 4 1,-0.3 327,-0.1 -2,-0.3 311,-0.1 0.783 112.2 69.5 -51.2 -30.3 8.6 -1.6 -23.3 47 48 A N T 3 S+ 0 0 2 311,-0.1 326,-2.1 1,-0.1 2,-0.5 0.335 90.5 71.6 -75.4 11.6 11.5 0.6 -22.0 48 49 A Q < + 0 0 2 -3,-1.9 2,-0.2 324,-0.2 -1,-0.1 -0.940 59.3 160.2-129.3 106.8 9.0 2.5 -19.8 49 50 A D > - 0 0 5 -2,-0.5 4,-2.5 -5,-0.0 5,-0.3 -0.625 60.6 -85.0-113.3 179.5 7.6 0.6 -16.8 50 51 A I H > S+ 0 0 3 29,-0.3 4,-1.8 -2,-0.2 5,-0.1 0.817 128.0 53.4 -57.1 -28.7 6.0 2.1 -13.7 51 52 A V H > S+ 0 0 0 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.963 111.2 41.1 -71.3 -52.9 9.4 2.6 -12.1 52 53 A S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 319,-0.3 0.903 117.5 49.1 -62.5 -41.2 11.1 4.5 -15.0 53 54 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.918 112.6 49.0 -62.9 -42.3 7.9 6.6 -15.5 54 55 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.943 111.9 47.1 -62.3 -49.0 7.8 7.2 -11.8 55 56 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.895 112.0 52.3 -60.5 -40.2 11.5 8.3 -11.7 56 57 A N H X S+ 0 0 1 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.893 106.3 51.4 -65.2 -39.8 10.9 10.5 -14.7 57 58 A A H < S+ 0 0 0 -4,-2.3 3,-0.2 1,-0.2 4,-0.2 0.936 118.5 38.8 -62.4 -43.3 8.0 12.3 -13.2 58 59 A A H >X S+ 0 0 0 -4,-2.0 3,-1.7 -5,-0.2 4,-1.5 0.811 97.1 77.5 -77.7 -32.6 10.0 13.1 -10.1 59 60 A K H 3< S+ 0 0 57 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.838 91.7 52.2 -51.0 -41.3 13.4 13.8 -11.5 60 61 A D T 3< S+ 0 0 107 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.1 0.657 116.3 39.2 -73.1 -14.3 12.7 17.3 -12.8 61 62 A I T <4 S+ 0 0 13 -3,-1.7 2,-0.6 -4,-0.2 -1,-0.2 0.581 91.9 94.3-111.0 -11.0 11.3 18.5 -9.4 62 63 A I < - 0 0 19 -4,-1.5 2,-0.1 -3,-0.2 71,-0.0 -0.724 53.6-174.1 -87.0 121.8 13.7 16.8 -6.9 63 64 A T > - 0 0 61 -2,-0.6 4,-2.1 1,-0.1 5,-0.1 -0.436 40.5 -98.7-102.7-179.7 16.6 19.0 -5.8 64 65 A D H > S+ 0 0 129 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.900 124.7 51.2 -68.1 -40.3 19.6 18.2 -3.6 65 66 A E H > S+ 0 0 69 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.842 109.7 52.8 -65.2 -30.9 18.0 19.7 -0.5 66 67 A D H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.931 102.9 55.9 -68.4 -44.9 15.0 17.6 -1.3 67 68 A K H < S+ 0 0 45 -4,-2.1 31,-3.4 1,-0.2 -1,-0.2 0.781 112.3 44.7 -57.6 -27.4 17.0 14.4 -1.5 68 69 A K H < S+ 0 0 87 -4,-1.2 -1,-0.2 29,-0.2 -2,-0.2 0.773 117.4 41.9 -87.9 -29.3 18.3 15.2 2.0 69 70 A K H < S+ 0 0 57 -4,-1.5 62,-2.4 -3,-0.3 2,-0.6 0.525 82.3 107.4 -99.0 -6.2 14.9 16.1 3.5 70 71 A I E < +c 131 0A 0 -4,-1.9 62,-0.2 60,-0.2 3,-0.1 -0.633 37.5 175.7 -78.0 118.9 12.6 13.5 2.1 71 72 A G E + 0 0 2 60,-2.7 31,-2.1 -2,-0.6 2,-0.3 0.493 64.7 31.1-100.2 -7.8 11.7 11.0 4.9 72 73 A M E -cd 132 102A 0 59,-0.6 61,-2.7 29,-0.3 2,-0.5 -0.978 54.8-164.1-151.9 137.9 9.2 8.9 2.9 73 74 A V E -cd 133 103A 0 29,-3.0 31,-1.5 -2,-0.3 2,-0.5 -0.975 19.1-173.8-121.8 112.8 8.8 7.8 -0.7 74 75 A I E -cd 134 104A 0 59,-2.7 61,-3.0 -2,-0.5 2,-0.5 -0.928 8.0-161.2-113.1 131.0 5.3 6.4 -1.3 75 76 A V E -cd 135 105A 0 29,-2.3 31,-2.3 -2,-0.5 2,-0.5 -0.943 1.3-161.4-113.8 124.7 4.2 4.8 -4.6 76 77 A A E +cd 136 106A 0 59,-3.0 61,-2.2 -2,-0.5 2,-0.3 -0.896 32.4 135.1-102.5 127.8 0.5 4.5 -5.5 77 78 A T - 0 0 1 29,-1.6 31,-0.2 -2,-0.5 61,-0.1 -0.988 47.4-164.1-166.1 159.9 -0.2 2.0 -8.2 78 79 A E S S+ 0 0 2 -2,-0.3 60,-0.1 59,-0.3 29,-0.1 -0.022 90.6 73.8-133.4 20.5 -2.4 -0.9 -9.4 79 80 A S S S+ 0 0 11 58,-0.4 -29,-0.3 393,-0.1 393,-0.1 -0.263 70.5 170.6-127.2 40.3 0.2 -1.9 -12.0 80 81 A A - 0 0 30 391,-0.3 3,-0.1 1,-0.1 6,-0.1 -0.174 28.3-160.5 -56.4 144.3 2.7 -3.4 -9.6 81 82 A V S S+ 0 0 23 4,-0.2 495,-2.3 1,-0.2 2,-0.4 0.553 79.3 43.8-102.2 -11.6 5.7 -5.3 -11.1 82 83 A D B -V 575 0C 9 493,-0.3 -1,-0.2 3,-0.3 5,-0.2 -0.990 65.9-148.2-134.8 142.1 6.4 -7.1 -7.9 83 84 A A S S+ 0 0 29 491,-3.0 385,-0.3 -2,-0.4 413,-0.1 0.638 100.4 14.7 -81.0 -14.9 4.1 -8.8 -5.5 84 85 A A S S+ 0 0 0 490,-0.2 413,-2.4 1,-0.2 2,-0.3 0.703 106.9 77.9-123.3 -54.3 6.4 -8.0 -2.5 85 86 A K S S- 0 0 1 411,-0.2 2,-0.3 1,-0.1 -3,-0.3 -0.488 76.9-128.4 -69.6 124.9 9.0 -5.4 -3.3 86 87 A A >> - 0 0 0 -2,-0.3 3,-2.5 17,-0.2 4,-0.6 -0.581 7.1-137.2 -74.4 129.4 7.6 -1.9 -3.4 87 88 A A H 3> S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.3 3,-0.3 0.755 100.8 76.4 -58.1 -20.4 8.5 0.0 -6.6 88 89 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.769 85.5 61.1 -61.8 -25.1 9.2 2.9 -4.2 89 90 A V H <> S+ 0 0 0 -3,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.934 106.6 42.9 -69.0 -44.9 12.5 1.2 -3.3 90 91 A Q H X S+ 0 0 7 -4,-0.6 4,-3.3 -3,-0.3 5,-0.2 0.916 115.5 48.8 -67.2 -43.4 13.9 1.3 -6.8 91 92 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.930 108.4 53.5 -61.2 -46.5 12.7 4.9 -7.4 92 93 A H H <>S+ 0 0 11 -4,-2.3 5,-1.9 1,-0.2 4,-0.4 0.894 113.9 45.1 -54.4 -39.7 14.2 6.0 -4.0 93 94 A N H ><5S+ 0 0 61 -4,-1.6 3,-1.4 2,-0.2 -2,-0.2 0.957 111.4 49.2 -69.6 -53.3 17.5 4.5 -5.3 94 95 A L H 3<5S+ 0 0 17 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.862 113.2 48.6 -56.0 -37.1 17.4 5.9 -8.8 95 96 A L T 3<5S- 0 0 11 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.533 106.7-126.9 -83.0 -6.6 16.6 9.4 -7.4 96 97 A G T < 5 + 0 0 48 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.1 0.840 43.1 172.9 65.9 34.6 19.4 9.3 -4.9 97 98 A I < - 0 0 8 -5,-1.9 -29,-0.2 -6,-0.2 -1,-0.2 -0.442 44.2 -85.3 -75.3 148.7 17.3 10.1 -1.9 98 99 A Q - 0 0 39 -31,-3.4 -1,-0.1 1,-0.1 468,-0.1 -0.212 40.3-120.4 -53.9 143.9 18.8 9.9 1.6 99 100 A P S S+ 0 0 51 0, 0.0 467,-2.9 0, 0.0 2,-2.1 0.709 93.8 79.4 -57.7 -34.2 18.7 6.4 3.1 100 101 A F S S+ 0 0 46 465,-0.2 2,-0.3 2,-0.0 464,-0.3 -0.385 73.7 109.0 -83.2 65.3 16.7 6.9 6.3 101 102 A A - 0 0 0 -2,-2.1 2,-0.4 462,-0.1 -29,-0.3 -0.967 69.7-114.5-138.9 152.3 13.3 7.0 4.7 102 103 A R E -d 72 0A 11 -31,-2.1 -29,-3.0 -2,-0.3 2,-0.4 -0.702 30.4-169.9 -85.6 136.9 10.3 4.7 4.5 103 104 A C E +d 73 0A 0 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.993 23.8 127.9-130.8 124.1 9.6 3.3 1.1 104 105 A F E -d 74 0A 0 -31,-1.5 -29,-2.3 -2,-0.4 2,-0.3 -0.979 45.9-111.1-162.1 170.8 6.3 1.4 0.3 105 106 A E E -dE 75 495A 3 390,-2.6 390,-2.0 -2,-0.3 2,-0.4 -0.735 16.5-152.0-108.3 158.7 3.4 1.1 -2.0 106 107 A M E -dE 76 494A 0 -31,-2.3 -29,-1.6 -2,-0.3 2,-0.4 -0.991 16.1-167.2-127.9 138.1 -0.3 1.9 -1.4 107 108 A K E + E 0 493A 19 386,-2.5 386,-3.0 -2,-0.4 -29,-0.1 -0.994 36.0 122.3-137.1 133.0 -3.0 0.1 -3.4 108 109 A E S >> S- 0 0 0 1,-0.5 3,-2.1 -2,-0.4 4,-0.6 -0.186 75.9 -92.0-179.8 67.2 -6.7 0.6 -3.9 109 110 A A T 34 S- 0 0 1 363,-2.2 -1,-0.5 1,-0.3 3,-0.4 -0.191 97.3 -17.7 52.7-133.4 -7.4 1.0 -7.6 110 111 A X T 34 S+ 0 0 9 1,-0.2 3,-0.3 166,-0.1 194,-0.3 0.449 130.2 72.5 -82.9 -0.6 -7.3 4.7 -8.7 111 112 A Y T X4 + 0 0 0 -3,-2.1 3,-2.4 195,-0.2 -1,-0.2 0.853 66.9 91.9 -81.6 -38.5 -7.7 5.9 -5.2 112 113 A A T 3X S+ 0 0 0 -4,-0.6 4,-1.0 -3,-0.4 -1,-0.2 0.525 74.6 62.2 -35.7 -32.1 -4.2 5.2 -3.7 113 114 A A H 3> S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.784 99.0 59.8 -72.4 -22.7 -2.4 8.5 -4.3 114 115 A T H <> S+ 0 0 0 -3,-2.4 4,-2.5 2,-0.2 5,-0.3 0.967 104.7 43.4 -70.8 -53.3 -4.9 10.4 -2.2 115 116 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.825 111.8 61.3 -63.1 -22.2 -4.3 8.6 1.1 116 117 A A H X S+ 0 0 0 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.944 110.3 34.7 -68.3 -47.8 -0.6 8.8 0.2 117 118 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.858 119.3 52.3 -75.1 -32.5 -0.4 12.6 0.2 118 119 A Q H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.926 114.4 40.8 -67.7 -46.0 -3.0 13.0 3.0 119 120 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.770 110.9 59.9 -72.9 -24.1 -1.1 10.6 5.3 120 121 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 -5,-0.2 -2,-0.2 0.934 106.4 46.9 -65.6 -44.7 2.1 12.3 4.1 121 122 A K H X S+ 0 0 27 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.928 111.2 50.8 -61.5 -46.5 0.7 15.6 5.5 122 123 A D H >< S+ 0 0 17 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.924 109.8 51.3 -57.5 -43.5 -0.2 13.8 8.7 123 124 A Y H >< S+ 0 0 18 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.913 109.7 49.1 -59.8 -43.4 3.3 12.5 8.9 124 125 A L H >< S+ 0 0 0 -4,-2.3 3,-2.8 1,-0.2 -1,-0.2 0.595 80.0 106.0 -73.4 -11.0 4.8 15.9 8.4 125 126 A A T << S+ 0 0 52 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.1 0.810 97.7 18.6 -36.0 -50.9 2.6 17.5 11.1 126 127 A T T < S+ 0 0 100 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.099 112.5 81.7-112.6 21.9 5.4 17.8 13.6 127 128 A R X + 0 0 39 -3,-2.8 3,-1.8 1,-0.1 36,-0.2 -0.579 44.2 162.2-126.4 69.0 8.3 17.5 11.0 128 129 A P T 3 S+ 0 0 92 0, 0.0 35,-0.3 0, 0.0 -1,-0.1 0.729 77.6 53.3 -59.6 -23.2 8.7 21.0 9.5 129 130 A N T 3 S+ 0 0 89 -3,-0.1 2,-0.2 33,-0.1 -2,-0.0 0.455 99.7 78.8 -93.2 -1.2 12.1 20.1 8.2 130 131 A E < - 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0 0 40 -3,-1.2 2,-1.0 -4,-0.3 -3,-0.2 0.935 45.6-177.3 48.8 54.3 68.5 39.1 59.2 1132 357 C E < - 0 0 92 -5,-2.2 -1,-0.2 -6,-0.1 -310,-0.2 -0.746 16.5-142.0 -88.4 103.2 70.0 39.9 62.6 1133 358 C F + 0 0 70 -2,-1.0 2,-0.1 -3,-0.2 17,-0.1 -0.212 31.2 161.4 -64.0 153.3 73.1 37.6 63.0 1134 359 C D > - 0 0 62 2,-0.0 4,-2.6 1,-0.0 5,-0.2 -0.469 20.5-167.4-175.3 92.1 74.0 36.0 66.3 1135 360 C E T 4>S+ 0 0 88 1,-0.2 5,-2.2 2,-0.2 6,-0.4 0.804 91.0 51.6 -57.7 -31.1 76.3 33.0 66.2 1136 361 C E T >45S+ 0 0 86 3,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.977 113.7 38.9 -71.3 -57.0 75.5 32.2 69.8 1137 362 C Q T 345S+ 0 0 63 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.820 119.9 48.0 -64.2 -30.8 71.7 32.2 69.6 1138 363 C D T 3<5S- 0 0 1 -4,-2.6 -1,-0.3 -317,-0.1 -2,-0.2 0.441 103.6-137.2 -87.6 0.9 71.8 30.5 66.2 1139 364 C A T X 5 + 0 0 18 -3,-1.3 3,-1.8 -5,-0.2 4,-0.4 0.886 33.7 175.8 42.5 49.6 74.3 28.0 67.8 1140 365 C V G > < + 0 0 16 -5,-2.2 3,-1.1 1,-0.3 -1,-0.1 0.730 65.7 71.6 -55.0 -27.7 76.3 28.2 64.6 1141 366 C H G 3 S+ 0 0 142 -6,-0.4 3,-0.4 1,-0.2 -1,-0.3 0.761 91.0 59.8 -63.8 -24.2 79.1 26.0 66.1 1142 367 C E G < S+ 0 0 116 -3,-1.8 2,-0.7 1,-0.2 3,-0.4 0.739 91.8 70.8 -75.8 -22.6 76.8 23.0 65.8 1143 368 C D X + 0 0 9 -3,-1.1 3,-0.8 -4,-0.4 -1,-0.2 -0.245 54.7 125.3 -92.1 47.7 76.4 23.4 62.0 1144 369 C R T 3 S+ 0 0 128 -2,-0.7 19,-3.1 -3,-0.4 -1,-0.2 0.777 74.5 48.3 -75.7 -26.1 79.9 22.4 60.9 1145 370 C H T 3 S+ 0 0 123 -3,-0.4 2,-0.3 17,-0.2 -1,-0.2 0.242 108.7 59.9 -98.8 13.3 78.7 19.7 58.5 1146 371 C I S < S- 0 0 27 -3,-0.8 2,-0.3 15,-0.2 17,-0.1 -0.830 83.5 -97.5-135.1 173.7 76.1 21.9 56.7 1147 372 C F + 0 0 10 -319,-0.3 2,-0.3 -2,-0.3 14,-0.2 -0.663 47.2 163.4 -87.9 145.5 75.7 25.0 54.6 1148 373 C Y E -B 1160 0O 27 12,-1.4 12,-2.5 -2,-0.3 2,-0.7 -0.973 46.8 -98.3-164.1 149.9 74.5 28.2 56.3 1149 374 C L E +B 1159 0O 2 -326,-1.8 10,-0.2 -2,-0.3 3,-0.1 -0.607 41.4 173.3 -70.2 111.2 74.3 32.0 56.0 1150 375 C S E - 0 0 47 8,-1.8 2,-0.3 -2,-0.7 9,-0.2 0.647 56.0 -28.7 -96.5 -20.3 77.3 33.2 57.9 1151 376 C N E -B 1158 0O 59 7,-1.3 7,-3.3 2,-0.0 2,-0.4 -0.943 45.1-127.2 175.9 164.5 77.2 36.9 57.1 1152 377 C I E +B 1157 0O 51 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.963 26.8 177.1-132.8 112.8 76.2 39.6 54.7 1153 378 C E E > S-B 1156 0O 117 3,-2.3 3,-1.2 -2,-0.4 -2,-0.0 -0.975 71.0 -8.0-121.3 126.4 78.8 42.2 53.7 1154 379 C N T 3 S- 0 0 136 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.930 129.3 -56.4 57.5 46.9 78.1 44.9 51.2 1155 380 C N T 3 S+ 0 0 74 -3,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.656 114.1 121.4 61.4 16.2 74.7 43.4 50.4 1156 381 C V E < -B 1153 0O 36 -3,-1.2 -3,-2.3 195,-0.0 2,-0.3 -0.951 58.9-136.0-114.8 126.1 76.4 40.2 49.5 1157 382 C R E -B 1152 0O 56 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.623 17.4-161.5 -82.0 133.5 75.5 37.0 51.3 1158 383 C E E -B 1151 0O 62 -7,-3.3 -8,-1.8 -2,-0.3 -7,-1.3 -0.873 5.6-158.4-112.7 146.4 78.4 34.7 52.4 1159 384 C Y E -B 1149 0O 33 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.932 16.3-131.8-128.6 151.8 77.9 31.0 53.3 1160 385 C H E -B 1148 0O 49 -12,-2.5 -12,-1.4 -2,-0.3 3,-0.1 -0.834 28.8-146.7 -95.7 133.6 79.8 28.5 55.4 1161 386 C R - 0 0 94 -2,-0.4 -15,-0.2 -14,-0.2 -14,-0.1 -0.661 36.0 -74.7-100.4 159.5 80.2 25.2 53.5 1162 387 C P 0 0 43 0, 0.0 -17,-0.2 0, 0.0 -1,-0.1 -0.287 360.0 360.0 -52.8 129.1 80.3 21.8 55.1 1163 388 C E 0 0 125 -19,-3.1 -18,-0.2 -17,-0.1 -2,-0.0 0.858 360.0 360.0 -55.4 360.0 83.7 21.3 56.7 1164 !* 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 1165 2 D T 0 0 118 0, 0.0 163,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 168.5 60.0 22.0 13.7 1166 3 D I E +N 1327 0J 25 168,-0.4 168,-2.2 161,-0.3 2,-0.3 -0.999 360.0 100.5-140.8 135.1 59.2 24.2 16.7 1167 4 D G E -NO13261333J 0 159,-2.4 159,-2.0 -2,-0.4 2,-0.7 -0.873 68.2 -18.5-175.4-151.4 59.9 27.9 17.2 1168 5 D I E +NO13251332J 2 164,-1.8 164,-2.3 -2,-0.3 163,-1.5 -0.756 46.6 166.9 -86.9 114.0 58.7 31.5 17.2 1169 6 D D E S+ 0 0 25 155,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.808 70.6 14.3 -92.2 -40.2 55.5 31.7 15.2 1170 7 D K E +N 1324 0J 29 154,-1.2 154,-2.7 160,-0.1 -1,-0.3 -0.992 66.1 176.9-138.6 145.5 54.4 35.2 16.4 1171 8 D I E +N 1323 0J 8 317,-0.4 2,-0.3 -2,-0.3 152,-0.2 -0.997 7.4 154.5-150.9 144.3 56.3 38.0 18.1 1172 9 D N E -N 1322 0J 11 150,-2.2 150,-3.4 -2,-0.3 2,-0.3 -0.984 19.4-149.3-163.7 159.0 55.5 41.5 19.2 1173 10 D F E -N 1321 0J 2 -2,-0.3 2,-0.3 148,-0.3 148,-0.2 -0.886 1.5-159.6-133.7 167.2 56.6 44.2 21.7 1174 11 D Y E -N 1320 0J 23 146,-2.4 146,-2.8 -2,-0.3 47,-0.1 -0.992 7.5-179.9-147.0 140.6 55.1 47.1 23.6 1175 12 D V - 0 0 2 -2,-0.3 144,-0.2 144,-0.2 -2,-0.0 -0.945 41.4 -86.8-135.7 153.4 56.7 50.1 25.2 1176 13 D P - 0 0 0 0, 0.0 31,-0.1 0, 0.0 32,-0.1 -0.109 37.5-111.6 -59.2 163.7 54.9 52.9 27.1 1177 14 D K S S+ 0 0 28 324,-0.1 325,-3.1 29,-0.1 2,-0.3 0.471 92.8 74.1 -76.7 -2.7 53.6 56.0 25.2 1178 15 D Y E +Cd12071502P 16 29,-0.7 29,-3.6 323,-0.2 2,-0.3 -0.880 52.6 172.7-117.6 146.7 56.1 58.4 26.7 1179 16 D Y E -Cd12061503P 28 323,-1.8 325,-1.8 -2,-0.3 2,-0.4 -0.994 21.5-140.5-148.5 149.2 59.8 58.9 26.1 1180 17 D V E -C 1205 0P 0 25,-2.3 25,-2.9 -2,-0.3 2,-0.4 -0.906 30.1-113.7-111.0 137.3 62.5 61.4 27.2 1181 18 D D E > -C 1204 0P 34 -2,-0.4 4,-1.8 323,-0.4 3,-0.2 -0.566 15.8-145.7 -73.9 125.8 65.1 62.6 24.8 1182 19 D M H > S+ 0 0 1 21,-2.5 4,-2.1 -2,-0.4 -1,-0.1 0.777 99.6 56.7 -62.2 -29.8 68.6 61.5 25.8 1183 20 D A H > S+ 0 0 28 20,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.919 109.0 48.2 -66.7 -41.0 70.2 64.7 24.6 1184 21 D K H > S+ 0 0 88 -3,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.866 110.5 51.6 -64.9 -37.4 67.9 66.5 26.9 1185 22 D L H X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.867 103.9 56.5 -69.4 -37.0 68.8 64.2 29.8 1186 23 D A H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 -1,-0.2 0.891 107.9 49.4 -61.7 -40.1 72.6 64.7 29.3 1187 24 D E H ><5S+ 0 0 99 -4,-1.5 3,-3.3 1,-0.2 -2,-0.2 0.982 109.1 48.9 -62.1 -58.8 72.1 68.4 29.7 1188 25 D A H 3<5S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.706 115.6 47.9 -55.0 -19.2 70.1 68.2 32.9 1189 26 D R T 3<5S- 0 0 41 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.346 113.7-121.7-103.7 4.9 72.8 65.8 34.1 1190 27 D Q T < 5S+ 0 0 90 -3,-3.3 2,-0.3 1,-0.2 -3,-0.2 0.945 70.1 118.8 53.8 55.8 75.6 68.1 33.0 1191 28 D V S > - 0 0 93 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 -0.411 34.1-138.5 -61.5 124.5 78.1 65.6 26.9 1193 30 D P H >> S+ 0 0 42 0, 0.0 4,-2.7 0, 0.0 3,-1.8 0.868 103.2 62.5 -52.1 -38.4 75.0 64.4 25.0 1194 31 D N H 3>>S+ 0 0 84 1,-0.3 4,-3.0 2,-0.2 5,-2.7 0.754 86.9 71.4 -61.0 -23.8 77.3 62.3 22.8 1195 32 D K H <4>S+ 0 0 118 -3,-2.0 5,-1.2 3,-0.2 -1,-0.3 0.863 113.6 28.7 -59.0 -33.0 78.3 60.4 25.9 1196 33 D F H <<>S+ 0 0 7 -3,-1.8 6,-2.7 -4,-0.6 5,-1.2 0.894 124.1 46.3 -90.6 -51.6 74.7 59.0 25.6 1197 34 D L H <5S+ 0 0 42 -4,-2.7 -3,-0.2 4,-0.2 -2,-0.2 0.859 138.1 6.8 -60.5 -39.4 74.1 59.3 21.9 1198 35 D I T <5S+ 0 0 118 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.787 127.6 53.7-111.4 -51.2 77.5 57.7 21.0 1199 36 D G T - 0 0 0 0, 0.0 3,-1.9 0, 0.0 317,-0.1 -0.686 33.1-113.6 -89.7 147.4 53.3 56.2 33.4 1210 47 D V T 3 S+ 0 0 3 -2,-0.3 327,-0.1 1,-0.3 311,-0.1 0.784 112.5 68.3 -52.6 -28.3 51.8 54.7 36.5 1211 48 D N T 3 S+ 0 0 2 311,-0.1 326,-1.9 1,-0.1 2,-0.4 0.307 90.9 71.2 -78.9 13.6 49.0 53.1 34.4 1212 49 D Q < + 0 0 2 -3,-1.9 2,-0.2 324,-0.2 -1,-0.1 -0.919 59.8 160.2-131.0 103.7 51.5 50.7 32.8 1213 50 D D > - 0 0 4 -2,-0.4 4,-2.5 -5,-0.0 5,-0.3 -0.567 60.4 -85.4-110.4-179.4 52.8 48.0 35.0 1214 51 D I H > S+ 0 0 3 29,-0.3 4,-1.8 1,-0.2 5,-0.1 0.819 127.8 53.3 -58.6 -29.1 54.5 44.8 33.9 1215 52 D V H > S+ 0 0 0 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.953 111.2 42.1 -70.7 -50.6 51.0 43.1 33.6 1216 53 D S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 319,-0.3 0.920 116.8 48.5 -63.3 -44.1 49.4 45.7 31.3 1217 54 D M H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.915 112.9 49.6 -62.2 -40.8 52.6 46.0 29.2 1218 55 D G H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.947 111.7 46.6 -62.3 -50.1 52.7 42.2 29.0 1219 56 D A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.891 112.2 52.2 -59.4 -40.7 49.0 42.0 28.0 1220 57 D N H X S+ 0 0 2 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.857 106.8 51.6 -66.9 -34.2 49.5 44.7 25.4 1221 58 D A H < S+ 0 0 0 -4,-2.0 101,-0.3 -5,-0.2 -1,-0.2 0.845 119.7 36.3 -70.8 -32.1 52.5 43.1 23.8 1222 59 D A H >X S+ 0 0 0 -4,-1.7 3,-1.7 -5,-0.2 4,-1.0 0.787 97.0 79.4 -90.8 -30.4 50.5 39.8 23.4 1223 60 D K H 3< S+ 0 0 56 -4,-2.9 3,-0.4 1,-0.3 -1,-0.1 0.823 93.6 50.0 -50.0 -37.7 47.0 41.1 22.7 1224 61 D D T 3< S+ 0 0 108 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.637 111.9 45.4 -80.8 -12.3 47.8 41.8 19.0 1225 62 D I T <4 S+ 0 0 20 -3,-1.7 2,-0.5 -4,-0.2 -1,-0.2 0.498 92.9 83.3-109.6 -2.1 49.3 38.4 18.1 1226 63 D I < - 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0 0 20 -6,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.204 34.6-114.0 -55.4 144.2 67.7 38.3 5.7 1458 295 D Q > - 0 0 141 1,-0.1 3,-1.6 25,-0.0 23,-0.3 -0.511 32.0 -99.6 -81.2 150.9 66.7 35.5 3.5 1459 296 D A T 3 S+ 0 0 31 1,-0.2 23,-0.2 -2,-0.2 -1,-0.1 -0.326 110.6 38.0 -61.5 152.1 64.6 32.6 4.8 1460 297 D G T 3 S+ 0 0 46 21,-2.8 -1,-0.2 1,-0.3 2,-0.1 0.253 87.7 122.0 88.8 -15.4 66.8 29.6 5.6 1461 298 D E < - 0 0 82 -3,-1.6 20,-2.1 1,-0.1 2,-0.4 -0.472 61.6-118.5 -80.3 155.8 69.7 31.7 7.0 1462 299 D T E - V 01480J 27 -73,-0.3 -71,-2.7 18,-0.2 -70,-0.9 -0.824 19.7-161.2-104.0 134.0 70.9 31.2 10.5 1463 300 D I E -uV13921479J 0 16,-3.0 16,-1.8 -2,-0.4 2,-0.5 -0.899 8.9-148.8-110.1 135.3 70.8 33.7 13.3 1464 301 D G E -uV13931478J 0 -72,-2.7 -70,-3.0 -2,-0.4 2,-0.4 -0.913 15.5-165.1-106.2 128.1 72.9 33.3 16.5 1465 302 D L E -uV13941477J 2 12,-3.0 12,-1.7 -2,-0.5 2,-0.5 -0.922 11.3-163.0-118.8 137.7 71.6 34.7 19.7 1466 303 D F E -uV13951476J 1 -72,-2.6 -70,-0.9 -2,-0.4 2,-0.4 -0.964 8.7-166.6-118.3 120.9 73.3 35.4 23.1 1467 304 D S E - 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V 01465J 2 -12,-1.7 -12,-3.0 -2,-0.4 2,-0.3 -0.932 30.8-130.8-151.0 170.2 71.8 29.2 20.6 1478 315 D S E - V 01464J 1 -2,-0.3 -143,-1.6 -14,-0.2 2,-0.3 -0.803 13.6-170.8-127.2 170.2 70.8 29.5 17.0 1479 316 D A E -SV13341463J 1 -16,-1.8 -16,-3.0 -2,-0.3 2,-0.4 -0.979 16.3-132.3-155.6 153.8 67.6 29.6 14.9 1480 317 D T E -SV13331462J 34 -147,-2.3 -147,-2.8 -2,-0.3 -18,-0.2 -0.928 22.9-115.4-118.8 140.3 66.7 29.6 11.3 1481 318 D L E -S 1332 0J 3 -20,-2.1 -21,-2.8 -2,-0.4 2,-0.3 -0.446 28.8-135.1 -72.5 141.9 64.3 31.9 9.3 1482 319 D V > - 0 0 28 -151,-2.0 3,-1.8 -23,-0.2 -1,-0.1 -0.689 32.8 -86.0 -97.7 148.6 61.3 30.3 7.8 1483 320 D E T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 -0.287 112.8 10.0 -57.0 125.7 60.0 30.9 4.3 1484 321 D G T > S+ 0 0 35 -2,-0.0 3,-1.7 -3,-0.0 4,-0.3 0.642 77.7 142.9 81.5 15.9 57.7 34.0 4.1 1485 322 D Y G X + 0 0 5 -3,-1.8 3,-2.4 1,-0.3 -2,-0.1 0.819 63.7 69.3 -57.9 -31.2 58.5 35.1 7.7 1486 323 D K G > S+ 0 0 66 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.812 90.9 61.8 -57.9 -28.9 58.3 38.7 6.5 1487 324 D D G < S+ 0 0 135 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.609 103.0 51.2 -73.2 -9.9 54.6 38.2 6.0 1488 325 D H G < S+ 0 0 84 -3,-2.4 -317,-0.4 -4,-0.3 -1,-0.2 0.172 92.4 88.6-113.3 18.7 54.3 37.6 9.7 1489 326 D L < - 0 0 24 -3,-1.2 3,-0.1 -319,-0.1 -317,-0.1 -0.668 63.9-145.8-107.1 167.0 56.1 40.6 11.1 1490 327 D D > + 0 0 58 -2,-0.2 4,-2.3 -319,-0.2 5,-0.2 -0.446 36.5 150.9-132.9 60.2 54.5 44.0 11.8 1491 328 D Q H > S+ 0 0 82 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.881 73.4 54.4 -57.5 -44.3 57.2 46.6 11.0 1492 329 D A H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 111.0 44.7 -56.7 -52.3 54.7 49.3 10.0 1493 330 D A H > S+ 0 0 61 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.900 114.9 50.1 -59.3 -41.9 52.9 49.0 13.4 1494 331 D H H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.891 109.5 48.6 -66.2 -42.1 56.2 48.9 15.2 1495 332 D K H X S+ 0 0 57 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.924 116.0 46.3 -63.1 -40.6 57.6 52.0 13.4 1496 333 D A H X S+ 0 0 36 -4,-2.4 4,-3.2 -5,-0.3 -2,-0.2 0.917 106.2 57.8 -65.5 -46.6 54.3 53.7 14.3 1497 334 D L H < S+ 0 0 49 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.3 37.0 -52.0 -43.9 54.4 52.5 17.9 1498 335 D L H >< S+ 0 0 17 -4,-1.9 3,-1.1 2,-0.1 -2,-0.2 0.928 119.2 46.6 -76.5 -47.0 57.7 54.2 18.4 1499 336 D N H 3< S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.880 106.7 56.8 -64.4 -41.3 57.2 57.3 16.3 1500 337 D N T 3< S+ 0 0 127 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.1 0.327 82.8 114.9 -77.0 10.1 53.7 58.1 17.7 1501 338 D R < - 0 0 17 -3,-1.1 2,-0.5 -5,-0.1 -323,-0.2 -0.286 68.9-114.7 -73.8 165.8 55.0 58.3 21.2 1502 339 D T E -d 1178 0P 70 -325,-3.1 -323,-1.8 -2,-0.0 2,-0.2 -0.898 21.2-131.8-109.4 131.2 54.9 61.6 23.1 1503 340 D E E -d 1179 0P 93 -2,-0.5 2,-0.4 -325,-0.2 -323,-0.2 -0.485 21.6-165.9 -77.7 147.4 58.0 63.4 24.2 1504 341 D V - 0 0 15 -325,-1.8 -323,-0.4 -2,-0.2 5,-0.0 -1.000 22.5-110.1-137.7 137.2 58.3 64.6 27.8 1505 342 D S > - 0 0 68 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.026 36.2-103.7 -57.4 166.5 60.8 67.0 29.4 1506 343 D V H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.756 125.9 52.4 -63.9 -23.2 63.4 65.8 31.8 1507 344 D D H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.922 107.8 45.7 -78.1 -48.7 61.1 67.4 34.4 1508 345 D A H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.880 113.1 54.7 -61.6 -36.4 57.9 65.7 33.4 1509 346 D Y H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.922 106.4 49.2 -61.9 -47.2 60.0 62.5 33.3 1510 347 D E H X S+ 0 0 49 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.800 109.9 51.2 -65.3 -30.5 61.2 62.9 36.8 1511 348 D T H X S+ 0 0 72 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.962 111.1 48.5 -69.2 -50.6 57.7 63.5 38.1 1512 349 D F H X S+ 0 0 9 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.923 112.3 49.9 -50.4 -50.1 56.5 60.4 36.4 1513 350 D F H X S+ 0 0 11 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.920 109.6 49.1 -58.0 -49.3 59.5 58.5 37.8 1514 351 D K H X S+ 0 0 31 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.874 113.1 48.8 -59.8 -39.0 58.8 59.6 41.4 1515 352 D R H ><>S+ 0 0 12 -4,-2.4 5,-1.9 1,-0.2 3,-0.8 0.914 105.3 56.9 -66.7 -45.5 55.1 58.7 41.1 1516 353 D F H ><5S+ 0 0 33 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.886 96.8 63.7 -54.7 -43.0 55.8 55.2 39.7 1517 354 D D H 3<5S+ 0 0 54 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.878 117.5 27.7 -49.4 -43.1 57.9 54.3 42.7 1518 355 D D T <<5S- 0 0 116 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.149 107.3-119.3-107.8 17.9 54.8 54.7 44.9 1519 356 D V T < 5 - 0 0 41 -3,-1.7 2,-1.0 -4,-0.2 -3,-0.2 0.903 43.7-179.3 44.6 51.6 52.2 53.8 42.3 1520 357 D E < - 0 0 94 -5,-1.9 -1,-0.2 -6,-0.1 -310,-0.2 -0.741 19.8-138.3 -86.6 104.8 50.6 57.3 42.7 1521 358 D F + 0 0 73 -2,-1.0 2,-0.1 -3,-0.2 17,-0.1 -0.232 32.4 163.0 -63.5 150.3 47.6 57.3 40.4 1522 359 D D > - 0 0 60 2,-0.0 4,-2.1 1,-0.0 6,-0.2 -0.516 20.2-168.0-170.7 91.3 46.8 60.4 38.2 1523 360 D E T 4>S+ 0 0 106 1,-0.2 5,-1.2 2,-0.2 6,-0.5 0.677 92.2 49.4 -60.8 -17.6 44.5 59.9 35.3 1524 361 D E T >45S+ 0 0 170 3,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.904 112.1 42.9 -87.1 -48.3 45.5 63.4 34.0 1525 362 D Q T 345S+ 0 0 59 1,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.738 120.5 44.0 -70.1 -22.7 49.2 63.1 34.2 1526 363 D D T 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -317,-0.1 -2,-0.2 0.349 102.8-136.9-100.3 3.9 49.1 59.6 32.7 1527 364 D A T X 5 + 0 0 16 -3,-0.9 3,-2.0 -5,-0.2 4,-0.4 0.832 33.4 176.0 41.6 43.8 46.6 60.8 30.2 1528 365 D V G > < + 0 0 14 -5,-1.2 3,-0.9 1,-0.3 -1,-0.1 0.695 65.9 72.0 -48.7 -26.1 44.6 57.6 30.8 1529 366 D H G > S+ 0 0 142 -6,-0.5 3,-0.5 1,-0.2 -1,-0.3 0.839 90.4 58.3 -63.1 -33.4 41.8 58.8 28.4 1530 367 D E G < S+ 0 0 118 -3,-2.0 2,-0.4 1,-0.2 3,-0.4 0.726 93.6 71.5 -69.0 -21.1 44.0 58.3 25.4 1531 368 D D G X + 0 0 11 -3,-0.9 3,-1.0 -4,-0.4 -1,-0.2 -0.162 54.3 125.6 -91.9 42.1 44.4 54.6 26.3 1532 369 D R T < S+ 0 0 131 -3,-0.5 19,-2.5 -2,-0.4 -1,-0.2 0.798 74.6 47.3 -70.3 -28.8 40.9 53.3 25.5 1533 370 D H T 3 S+ 0 0 119 -3,-0.4 2,-0.3 17,-0.3 -1,-0.2 0.267 108.0 61.7 -98.1 13.0 42.1 50.5 23.1 1534 371 D I S < S- 0 0 29 -3,-1.0 2,-0.3 15,-0.1 17,-0.1 -0.802 85.5 -97.8-130.7 172.2 44.8 49.1 25.3 1535 372 D F + 0 0 13 -319,-0.3 2,-0.3 -2,-0.3 14,-0.2 -0.644 47.1 164.7 -87.5 147.9 45.3 47.4 28.7 1536 373 D Y E -F 1548 0R 32 12,-1.2 12,-2.5 -2,-0.3 2,-0.9 -0.970 46.4 -99.5-164.0 149.0 46.3 49.6 31.7 1537 374 D L E +F 1547 0R 2 -326,-1.9 10,-0.2 -2,-0.3 3,-0.1 -0.625 40.7 174.9 -71.6 107.0 46.5 49.6 35.5 1538 375 D S E - 0 0 44 8,-1.6 2,-0.3 -2,-0.9 9,-0.2 0.674 56.3 -25.6 -90.3 -20.0 43.4 51.6 36.4 1539 376 D N E -F 1546 0R 50 7,-1.3 7,-3.6 2,-0.0 2,-0.4 -0.958 44.4-129.3 178.2 163.3 43.6 51.3 40.2 1540 377 D I E +F 1545 0R 53 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.964 29.1 175.8-131.4 113.0 44.7 49.3 43.2 1541 378 D E E > -F 1544 0R 106 3,-2.4 3,-2.0 -2,-0.4 -2,-0.0 -0.975 68.6 -8.6-123.5 133.1 42.0 48.6 45.9 1542 379 D N T 3 S- 0 0 133 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.886 129.5 -56.4 50.7 43.9 42.5 46.5 49.0 1543 380 D N T 3 S+ 0 0 69 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.603 114.7 118.0 66.3 14.7 46.0 45.5 47.7 1544 381 D V E < -F 1541 0R 36 -3,-2.0 -3,-2.4 -581,-0.0 2,-0.3 -0.957 61.3-133.3-116.8 125.7 44.4 44.1 44.5 1545 382 D R E -F 1540 0R 55 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.573 18.6-157.0 -78.4 134.1 45.4 45.6 41.1 1546 383 D E E -F 1539 0R 79 -7,-3.6 -8,-1.6 -2,-0.3 -7,-1.3 -0.875 7.5-154.8-111.4 145.2 42.5 46.4 38.7 1547 384 D Y E -F 1537 0R 36 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.932 14.3-134.6-127.6 146.9 42.8 46.7 34.9 1548 385 D H E -F 1536 0R 48 -12,-2.5 -12,-1.2 -2,-0.4 3,-0.0 -0.786 27.0-145.4 -92.0 133.8 41.1 48.4 32.1 1549 386 D R - 0 0 98 -2,-0.4 -14,-0.1 -14,-0.2 -15,-0.1 -0.816 32.4 -86.0-104.0 142.2 40.6 46.2 29.1 1550 387 D P 0 0 38 0, 0.0 -17,-0.3 0, 0.0 -1,-0.1 -0.131 360.0 360.0 -43.6 129.0 40.7 47.4 25.5 1551 388 D E 0 0 118 -19,-2.5 -18,-0.2 -17,-0.1 -19,-0.0 0.884 360.0 360.0 -59.5 360.0 37.2 48.7 24.5