==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-07 2P8U . COMPND 2 MOLECULE: HYDROXYMETHYLGLUTARYL-COA SYNTHASE, CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TURNBULL,N.SHAFQAT,E.SALAH,F.H.NIESEN,N.BURGESS,G.BUNKOCZI . 924 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 12.6 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.2 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 . 57 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 2 3 5 4 2 0 2 0 2 1 3 2 0 0 2 0 0 0 0 0 0 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 2 4 0 2 0 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 PARALLEL BRIDGES PER LADDER . 2 4 5 2 2 0 2 2 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 . 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 9 A N > 0 0 120 0, 0.0 4,-1.3 0, 0.0 600,-0.0 0.000 360.0 360.0 360.0 -18.1 47.3 29.3 49.5 2 10 A L H > + 0 0 79 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.665 360.0 64.3 -73.4 -19.2 47.0 26.5 46.9 3 11 A Y H > S+ 0 0 50 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.961 107.7 38.9 -66.3 -50.8 46.7 24.0 49.8 4 12 A F H > S+ 0 0 34 1,-0.2 4,-0.8 2,-0.2 5,-0.4 0.781 111.0 60.6 -68.8 -30.9 43.4 25.5 51.0 5 13 A Q H < S+ 0 0 46 -4,-1.3 3,-0.4 1,-0.2 -1,-0.2 0.908 103.0 50.4 -63.4 -43.8 42.2 26.1 47.4 6 14 A S H < S+ 0 0 79 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 101.3 66.4 -63.4 -29.0 42.3 22.4 46.6 7 15 A M H < S- 0 0 29 -4,-0.8 169,-3.7 -3,-0.1 -1,-0.2 0.849 70.7-164.9 -72.3 -38.6 40.4 21.4 49.7 8 16 A D < - 0 0 58 -4,-0.8 169,-2.3 -3,-0.4 2,-0.2 0.951 22.3-159.5 48.8 51.3 36.9 22.9 49.1 9 17 A V + 0 0 2 -5,-0.4 172,-2.1 166,-0.2 2,-0.3 -0.444 32.2 117.0 -66.2 135.2 36.1 22.4 52.7 10 18 A G E -AB 174 180A 0 164,-2.3 164,-2.3 170,-0.3 2,-0.6 -0.925 64.4 -44.0-171.9-169.2 32.4 22.4 53.4 11 19 A I E +AB 173 179A 0 168,-2.3 168,-0.9 -2,-0.3 162,-0.2 -0.732 40.2 173.3 -85.7 118.9 29.3 20.6 54.6 12 20 A V E + 0 0 33 160,-2.9 2,-0.3 -2,-0.6 161,-0.2 0.653 69.0 12.9-101.7 -24.2 29.1 17.1 53.2 13 21 A A E -A 172 0A 5 159,-1.3 159,-2.2 2,-0.0 2,-0.4 -0.984 58.7-162.3-150.3 151.8 26.0 16.0 55.2 14 22 A L E -A 171 0A 2 -2,-0.3 2,-0.4 157,-0.2 157,-0.2 -0.968 8.2-176.4-141.0 118.2 23.3 17.7 57.3 15 23 A E E -A 170 0A 6 155,-2.5 155,-2.5 -2,-0.4 2,-0.4 -0.933 5.5-166.2-113.7 137.4 21.0 15.8 59.7 16 24 A I E -A 169 0A 0 -2,-0.4 2,-0.4 153,-0.2 153,-0.2 -0.960 3.0-171.1-125.5 143.7 18.2 17.5 61.7 17 25 A Y E +A 168 0A 4 151,-2.8 151,-2.3 -2,-0.4 47,-0.1 -1.000 10.2 164.9-132.5 134.5 16.3 16.1 64.7 18 26 A F - 0 0 0 -2,-0.4 149,-0.1 149,-0.2 423,-0.1 -0.975 40.1 -96.6-140.6 154.0 13.1 17.5 66.4 19 27 A P - 0 0 0 0, 0.0 32,-0.1 0, 0.0 388,-0.1 -0.109 31.9-113.9 -67.5 168.3 10.7 16.0 68.8 20 28 A S S S+ 0 0 6 387,-0.1 388,-2.7 419,-0.1 2,-0.3 0.287 90.0 61.6 -94.2 7.3 7.4 14.4 67.8 21 29 A Q E +v 408 0B 13 29,-0.5 29,-1.7 386,-0.2 2,-0.3 -0.974 53.1 170.9-133.0 152.1 5.0 16.9 69.5 22 30 A Y E -vW 409 49B 39 386,-1.6 388,-2.4 -2,-0.3 2,-0.4 -0.921 30.4-120.8-142.6 164.6 4.3 20.6 69.2 23 31 A V E - W 0 48B 0 25,-2.4 25,-2.6 -2,-0.3 2,-0.3 -0.952 33.2-120.4-107.0 136.9 1.8 23.1 70.5 24 32 A D E > - W 0 47B 39 386,-0.5 4,-2.5 -2,-0.4 23,-0.2 -0.615 12.6-143.0 -78.4 130.0 -0.2 25.1 67.8 25 33 A Q H > S+ 0 0 0 21,-2.9 4,-2.4 -2,-0.3 14,-0.2 0.860 99.3 54.0 -66.7 -39.1 0.3 28.8 68.0 26 34 A A H > S+ 0 0 38 20,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.895 112.9 45.1 -59.0 -39.9 -3.3 29.7 67.0 27 35 A E H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.911 110.2 54.4 -70.8 -39.5 -4.5 27.5 69.9 28 36 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.863 103.7 56.1 -60.3 -38.0 -1.8 29.0 72.2 29 37 A E H X>S+ 0 0 10 -4,-2.4 5,-2.4 2,-0.2 4,-0.7 0.939 110.5 44.3 -55.3 -49.7 -3.2 32.5 71.4 30 38 A K H ><5S+ 0 0 160 -4,-1.5 3,-0.9 3,-0.2 -2,-0.2 0.938 113.6 50.7 -62.9 -45.5 -6.7 31.4 72.6 31 39 A Y H 3<5S+ 0 0 119 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.914 113.2 44.3 -58.2 -46.5 -5.1 29.7 75.7 32 40 A D H 3<5S- 0 0 66 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.547 110.9-124.2 -76.0 -8.8 -3.1 32.8 76.7 33 41 A G T <<5 + 0 0 65 -3,-0.9 -3,-0.2 -4,-0.7 2,-0.2 0.802 60.3 144.7 67.3 33.7 -6.2 34.9 76.0 34 42 A V < - 0 0 38 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.547 58.1 -79.5 -96.9 166.0 -4.4 37.2 73.5 35 43 A D > - 0 0 139 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.385 58.3 -91.9 -63.2 140.1 -5.8 38.8 70.3 36 44 A A T 3 S+ 0 0 98 1,-0.2 -1,-0.1 2,-0.1 -10,-0.1 -0.214 112.1 24.0 -52.3 136.5 -6.1 36.5 67.3 37 45 A G T 3>>S+ 0 0 15 -3,-0.1 5,-2.8 4,-0.1 4,-2.3 0.199 81.4 118.2 90.0 -15.3 -2.9 36.8 65.2 38 46 A K I <4>S+ 0 0 92 -3,-2.0 5,-1.0 3,-0.2 6,-0.1 0.894 92.7 20.5 -48.2 -47.2 -0.5 38.0 67.9 39 47 A Y I 4>S+ 0 0 6 -4,-0.3 6,-2.4 3,-0.2 5,-1.0 0.896 127.2 47.4 -89.6 -47.7 1.6 34.9 67.5 40 48 A T I 45S+ 0 0 54 4,-0.2 -2,-0.2 3,-0.2 -1,-0.1 0.822 134.6 13.1 -70.7 -30.4 0.8 33.6 64.0 41 49 A I I <5S+ 0 0 121 -4,-2.3 -3,-0.2 3,-0.2 -1,-0.1 0.789 128.5 50.8-107.5 -53.7 1.1 37.0 62.3 42 50 A G I - 0 0 24 -2,-0.3 3,-1.5 384,-0.1 -1,-0.0 -0.334 50.3 -84.9 -79.6 179.5 8.5 15.5 77.3 53 61 A D T 3 S+ 0 0 54 1,-0.2 394,-0.1 -2,-0.1 -2,-0.0 0.540 120.5 76.3 -65.3 -6.0 10.6 14.4 80.3 54 62 A R T 3 S+ 0 0 31 382,-0.1 393,-3.0 392,-0.1 2,-0.4 0.550 88.4 64.0 -82.1 -11.7 12.2 11.6 78.1 55 63 A E < + 0 0 4 -3,-1.5 2,-0.2 391,-0.2 391,-0.1 -0.949 53.5 160.4-123.4 138.9 14.5 14.0 76.3 56 64 A D > - 0 0 8 -2,-0.4 4,-2.7 32,-0.0 5,-0.2 -0.801 57.7 -81.3-139.5-179.2 17.4 16.2 77.4 57 65 A I H > S+ 0 0 1 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.878 128.1 49.6 -58.2 -37.2 20.4 17.9 75.7 58 66 A N H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.938 111.6 46.7 -66.2 -47.2 22.4 14.7 75.8 59 67 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 386,-0.5 0.897 110.7 53.0 -64.7 -39.3 19.6 12.5 74.2 60 68 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.922 113.3 43.7 -59.1 -45.1 18.9 15.1 71.5 61 69 A C H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.880 112.4 50.9 -72.7 -40.2 22.6 15.2 70.5 62 70 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.904 110.9 51.9 -60.5 -41.9 23.0 11.4 70.6 63 71 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.936 111.1 43.5 -60.8 -51.5 19.9 11.1 68.4 64 72 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.889 114.5 51.2 -69.2 -36.4 21.0 13.4 65.7 65 73 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.957 113.0 43.3 -64.1 -50.2 24.6 12.0 65.6 66 74 A Q H X S+ 0 0 19 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.870 112.2 53.8 -69.2 -34.5 23.5 8.4 65.3 67 75 A N H X S+ 0 0 30 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.899 110.5 47.4 -61.5 -41.5 20.9 9.3 62.7 68 76 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 111.8 49.9 -63.1 -45.2 23.6 11.0 60.6 69 77 A M H <>S+ 0 0 2 -4,-2.3 5,-2.7 1,-0.2 4,-0.3 0.890 115.0 43.8 -65.1 -39.8 26.0 8.1 60.9 70 78 A E H ><5S+ 0 0 103 -4,-2.3 3,-1.4 3,-0.2 -1,-0.2 0.950 112.1 50.6 -71.5 -48.4 23.4 5.6 59.9 71 79 A R H 3<5S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.913 117.3 41.9 -52.9 -42.7 21.9 7.6 57.0 72 80 A N T 3<5S- 0 0 39 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.370 106.3-124.3 -93.5 4.0 25.4 8.1 55.7 73 81 A N T < 5 + 0 0 154 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.918 52.2 168.5 55.9 48.1 26.7 4.5 56.3 74 82 A L < - 0 0 31 -5,-2.7 2,-0.2 -6,-0.1 -1,-0.2 -0.803 35.3-133.2-102.7 133.6 29.6 5.9 58.3 75 83 A S > - 0 0 65 -2,-0.4 3,-1.8 1,-0.1 4,-0.1 -0.552 20.6-128.2 -71.3 141.5 32.1 4.0 60.5 76 84 A Y G > S+ 0 0 39 1,-0.3 3,-0.8 -2,-0.2 -1,-0.1 0.681 108.4 68.6 -65.5 -15.5 32.6 5.6 63.9 77 85 A D G 3 S+ 0 0 87 1,-0.2 -1,-0.3 33,-0.0 33,-0.0 0.580 86.2 68.1 -74.4 -11.6 36.4 5.3 63.0 78 86 A C G < S+ 0 0 31 -3,-1.8 66,-2.4 65,-0.1 2,-0.5 0.374 78.8 91.4 -94.9 5.9 36.0 8.0 60.3 79 87 A I E < +c 144 0A 0 -3,-0.8 66,-0.2 64,-0.2 3,-0.1 -0.891 40.4 167.2-102.8 123.5 35.3 10.9 62.7 80 88 A G E + 0 0 2 64,-3.3 33,-1.5 -2,-0.5 2,-0.3 0.514 69.5 33.2-112.2 -11.1 38.4 12.8 63.9 81 89 A R E +cd 145 113A 2 63,-1.2 65,-2.4 31,-0.2 2,-0.4 -0.983 60.0 174.1-146.8 134.3 36.7 15.8 65.5 82 90 A L E +c 146 0A 0 31,-2.7 2,-0.3 -2,-0.3 65,-0.2 -0.970 11.1 163.2-144.2 126.5 33.4 16.0 67.3 83 91 A E E -c 147 0A 0 63,-1.7 65,-2.4 -2,-0.4 2,-0.5 -0.997 24.4-140.5-149.9 146.2 32.2 19.1 69.1 84 92 A V E -ce 148 116A 0 31,-2.2 33,-2.4 -2,-0.3 2,-0.5 -0.930 4.3-162.4-113.6 128.2 28.9 20.4 70.5 85 93 A G E +ce 149 117A 0 63,-3.0 65,-1.9 -2,-0.5 2,-0.3 -0.932 36.9 130.2 -99.9 128.5 27.5 23.9 70.4 86 94 A T - 0 0 0 31,-1.2 33,-0.2 -2,-0.5 65,-0.1 -0.975 49.8-155.0-162.6 165.0 24.8 24.5 72.9 87 95 A E S S+ 0 0 0 63,-0.4 2,-1.0 -2,-0.3 64,-0.1 0.109 70.7 104.4-128.9 14.6 23.4 26.8 75.6 88 96 A T - 0 0 9 62,-0.4 2,-0.6 32,-0.1 468,-0.1 -0.820 55.4-175.8 -97.3 95.9 21.4 24.1 77.4 89 97 A I + 0 0 37 -2,-1.0 3,-0.1 1,-0.1 6,-0.1 -0.854 27.6 156.8-107.4 111.7 23.7 23.4 80.3 90 98 A I S S+ 0 0 44 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.324 77.0 38.4-111.6 3.4 22.8 20.6 82.8 91 99 A D - 0 0 26 3,-0.1 -1,-0.3 1,-0.1 5,-0.1 -0.944 64.1-154.6-151.9 128.8 26.4 20.2 84.0 92 100 A K S S+ 0 0 10 569,-2.5 491,-0.1 -2,-0.3 3,-0.1 0.648 96.5 21.5 -78.7 -15.1 28.9 23.0 84.6 93 101 A S S S+ 0 0 0 1,-0.1 490,-1.4 489,-0.1 2,-0.6 0.683 105.2 77.5-116.2 -44.0 32.0 20.7 84.1 94 102 A K S S- 0 0 12 488,-0.2 -4,-0.2 456,-0.1 -1,-0.1 -0.672 72.1-138.6 -88.5 116.4 31.0 17.6 82.0 95 103 A S > - 0 0 2 -2,-0.6 4,-1.3 1,-0.1 3,-0.2 -0.285 16.2-127.5 -71.9 152.0 30.6 18.3 78.3 96 104 A V H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.899 111.4 66.0 -59.0 -38.4 27.9 16.8 76.1 97 105 A K H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.896 97.2 51.2 -50.9 -46.9 30.8 15.7 73.9 98 106 A T H >4 S+ 0 0 0 1,-0.2 3,-0.7 -3,-0.2 4,-0.3 0.899 108.5 52.2 -61.8 -39.6 32.0 13.3 76.7 99 107 A N H >< S+ 0 0 5 -4,-1.3 3,-1.6 1,-0.2 -1,-0.2 0.891 103.5 59.0 -58.0 -40.2 28.4 11.8 76.9 100 108 A L H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.3 4,-0.4 0.729 84.5 79.2 -62.9 -22.0 28.5 11.3 73.1 101 109 A M G XX S+ 0 0 2 -4,-0.9 3,-1.4 -3,-0.7 4,-1.3 0.757 73.8 78.5 -63.4 -22.9 31.5 9.1 73.5 102 110 A Q G <4 S+ 0 0 40 -3,-1.6 4,-0.4 -4,-0.3 -1,-0.3 0.838 92.7 52.0 -42.6 -40.0 29.0 6.3 74.5 103 111 A L G <4 S+ 0 0 4 -3,-2.0 -1,-0.3 -4,-0.2 4,-0.2 0.679 110.5 47.0 -76.5 -20.9 28.3 5.9 70.8 104 112 A F T <>>S+ 0 0 0 -3,-1.4 4,-1.1 -4,-0.4 5,-0.8 0.555 84.9 90.3-100.8 -12.1 32.1 5.6 69.9 105 113 A E T ><5S+ 0 0 109 -4,-1.3 3,-0.6 1,-0.2 -1,-0.1 0.867 82.9 56.1 -48.9 -48.0 33.1 3.0 72.6 106 114 A E T 345S+ 0 0 147 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.882 109.7 45.3 -56.1 -44.2 32.3 -0.0 70.4 107 115 A S T 345S- 0 0 39 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.718 101.6-132.4 -72.0 -25.2 34.6 1.2 67.6 108 116 A G T <<5 + 0 0 41 -4,-1.1 2,-1.2 -3,-0.6 3,-0.2 0.526 59.3 140.0 76.8 6.3 37.5 2.1 70.0 109 117 A N < + 0 0 13 -5,-0.8 -1,-0.2 1,-0.2 -2,-0.1 -0.720 6.9 141.6 -83.1 98.0 37.9 5.4 68.3 110 118 A T + 0 0 19 -2,-1.2 2,-1.7 541,-0.1 543,-1.3 0.436 40.7 96.9-115.3 -4.1 38.5 7.7 71.3 111 119 A D + 0 0 23 541,-0.2 2,-0.5 -3,-0.2 541,-0.1 -0.583 53.9 136.9 -83.7 72.1 41.2 10.0 69.7 112 120 A I - 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0 0 38 -3,-1.9 2,-0.4 1,-0.1 3,-0.1 -0.348 55.2-132.9 -76.0 152.6 51.5 -7.1 85.2 760 305 B K > - 0 0 28 1,-0.1 3,-1.4 -2,-0.0 4,-0.5 -0.847 11.6-131.4-103.4 140.0 48.7 -5.4 83.2 761 306 B L G > S+ 0 0 39 -2,-0.4 3,-1.8 1,-0.3 4,-0.2 0.924 107.9 53.9 -51.6 -49.0 48.1 -1.6 83.2 762 307 B E G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.628 108.0 50.7 -65.5 -15.6 44.4 -2.1 83.9 763 308 B D G < S+ 0 0 122 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.456 106.5 55.5 -96.8 -4.3 45.1 -4.3 87.0 764 309 B T X + 0 0 6 -3,-1.8 3,-0.9 -4,-0.5 -2,-0.2 0.207 59.1 114.3-121.8 16.1 47.5 -1.9 88.6 765 310 B Y T 3 S+ 0 0 42 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.829 101.8 18.0 -59.0 -32.1 45.8 1.5 89.1 766 311 B F T 3 S+ 0 0 84 -3,-0.2 2,-0.7 -88,-0.0 -1,-0.3 0.092 87.2 133.2-126.5 20.7 46.0 1.1 92.9 767 312 B D <> - 0 0 53 -3,-0.9 4,-2.0 1,-0.2 5,-0.1 -0.653 38.8-164.3 -74.5 111.9 48.6 -1.7 93.2 768 313 B R H > S+ 0 0 76 -2,-0.7 4,-2.5 2,-0.2 5,-0.2 0.757 83.8 55.6 -74.1 -27.0 50.9 -0.3 96.0 769 314 B D H > S+ 0 0 117 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.913 111.3 43.6 -68.7 -47.3 53.8 -2.6 95.3 770 315 B V H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.936 116.0 49.9 -60.9 -45.9 54.0 -1.5 91.6 771 316 B E H X S+ 0 0 50 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.937 111.1 46.5 -59.4 -51.3 53.6 2.1 92.7 772 317 B K H X S+ 0 0 77 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.917 115.3 47.2 -59.6 -46.8 56.3 2.0 95.4 773 318 B A H X S+ 0 0 26 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.911 116.3 42.6 -61.2 -46.2 58.8 0.2 93.0 774 319 B F H X S+ 0 0 2 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.779 110.9 54.3 -80.2 -24.9 58.1 2.6 90.1 775 320 B M H < S+ 0 0 26 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.932 113.3 44.2 -67.4 -43.3 58.1 5.8 92.2 776 321 B K H >< S+ 0 0 92 -4,-2.0 3,-1.2 -5,-0.3 4,-0.3 0.937 114.2 49.4 -62.6 -46.5 61.5 4.7 93.5 777 322 B A H 3< S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.743 115.9 43.2 -66.7 -25.0 62.7 3.8 90.0 778 323 B S T 3X S+ 0 0 1 -4,-1.4 4,-3.0 1,-0.1 -1,-0.2 0.296 80.7 106.8-101.7 8.8 61.5 7.1 88.5 779 324 B S H <> S+ 0 0 58 -3,-1.2 4,-2.5 -4,-0.4 -1,-0.1 0.871 84.1 42.8 -57.0 -42.1 62.8 9.4 91.3 780 325 B E H > S+ 0 0 117 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.883 114.8 49.7 -74.4 -38.4 65.7 10.8 89.3 781 326 B L H > S+ 0 0 26 -4,-0.2 4,-2.4 2,-0.2 5,-0.4 0.882 112.1 50.4 -62.8 -39.8 63.5 11.2 86.2 782 327 B F H X>S+ 0 0 19 -4,-3.0 5,-2.6 2,-0.2 4,-2.2 0.951 110.7 47.7 -62.7 -51.3 60.9 12.9 88.3 783 328 B S H <5S+ 0 0 62 -4,-2.5 5,-0.5 3,-0.2 -2,-0.2 0.905 119.4 39.5 -54.0 -46.4 63.5 15.3 89.8 784 329 B Q H <5S+ 0 0 103 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.873 129.6 23.9 -73.8 -38.8 65.0 16.2 86.3 785 330 B K H <5S+ 0 0 20 -4,-2.4 -69,-1.9 -5,-0.2 -3,-0.2 0.780 133.1 13.5-103.1 -28.1 61.8 16.4 84.2 786 331 B T T X5S+ 0 0 1 -4,-2.2 4,-0.6 -5,-0.4 -3,-0.2 0.672 97.5 79.1-130.5 -31.5 58.8 17.1 86.5 787 332 B K T >44 S+ 0 0 18 -5,-0.5 3,-1.9 1,-0.3 -1,-0.2 0.882 102.2 63.3 -60.6 -39.6 60.4 22.0 89.1 789 334 B S G 34 S+ 0 0 1 1,-0.3 3,-0.4 -3,-0.1 4,-0.4 0.669 91.3 68.7 -56.5 -19.3 57.1 22.2 87.1 790 335 B L G S+ 0 0 23 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.927 86.2 39.3 -48.2 -54.1 56.2 25.1 91.9 792 337 B V H >>S+ 0 0 1 -3,-0.4 4,-1.8 14,-0.4 5,-0.6 0.923 116.0 50.6 -69.0 -44.3 52.8 26.7 91.3 793 338 B S H >5S+ 0 0 3 -4,-0.4 4,-2.3 3,-0.2 3,-0.3 0.941 113.7 45.0 -55.8 -49.8 50.8 23.6 92.2 794 339 B N H <5S+ 0 0 44 -4,-3.0 -285,-2.3 1,-0.2 -284,-1.9 0.860 122.2 37.3 -64.2 -36.8 52.6 23.1 95.5 795 340 B Q H <5S+ 0 0 28 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.534 135.3 17.3 -94.2 -9.6 52.4 26.8 96.4 796 341 B N H <5S- 0 0 0 -4,-1.8 -284,-2.2 -3,-0.3 -167,-0.4 0.550 94.1-135.2-135.9 -21.8 48.9 27.6 95.1 797 342 B G << - 0 0 1 -4,-2.3 2,-0.5 -5,-0.6 -169,-0.3 -0.498 54.8 -12.2 91.5-163.5 47.0 24.4 94.5 798 343 B N - 0 0 2 -171,-1.6 -182,-0.3 -77,-0.3 3,-0.1 -0.666 45.8-178.2 -83.9 116.7 44.8 23.2 91.7 799 344 B M > - 0 0 1 -2,-0.5 3,-1.7 1,-0.3 -169,-0.2 0.124 30.3-145.5 -98.7 17.1 43.9 25.9 89.2 800 345 B Y G > S+ 0 0 2 1,-0.3 3,-1.7 2,-0.2 4,-0.5 -0.324 80.8 16.1 54.3-114.1 41.7 23.6 87.1 801 346 B T G 3 S+ 0 0 0 1,-0.3 4,-0.3 -218,-0.2 -1,-0.3 0.802 134.6 46.3 -57.9 -32.0 42.0 24.5 83.4 802 347 B S G <> S+ 0 0 0 -3,-1.7 4,-2.1 -172,-0.2 -1,-0.3 0.531 86.5 94.4 -88.2 -4.2 45.1 26.6 84.0 803 348 B S H <> S+ 0 0 3 -3,-1.7 4,-1.6 1,-0.2 3,-0.2 0.914 86.5 44.1 -54.5 -53.4 46.9 24.0 86.2 804 349 B V H > S+ 0 0 1 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.846 113.5 52.8 -63.3 -32.0 49.0 22.4 83.5 805 350 B Y H > S+ 0 0 1 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.781 105.1 55.2 -74.3 -27.0 49.8 25.9 82.1 806 351 B G H X S+ 0 0 1 -4,-2.1 4,-1.9 -3,-0.2 -14,-0.4 0.802 106.9 51.1 -67.1 -33.2 51.0 26.9 85.7 807 352 B S H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.899 109.4 49.0 -70.6 -41.2 53.3 23.9 85.5 808 353 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 3,-0.3 0.941 111.0 50.5 -57.2 -48.2 54.6 25.1 82.1 809 354 B A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.873 106.4 56.4 -58.0 -40.5 55.1 28.6 83.7 810 355 B S H X S+ 0 0 0 -4,-1.9 4,-0.8 -21,-0.3 -1,-0.2 0.855 107.3 47.3 -61.6 -40.4 57.0 26.9 86.6 811 356 B V H >X S+ 0 0 1 -4,-1.6 4,-1.2 -3,-0.3 3,-0.9 0.941 112.9 48.7 -64.3 -48.5 59.5 25.3 84.2 812 357 B L H 3< S+ 0 0 1 -4,-2.2 48,-0.2 1,-0.2 -2,-0.2 0.820 109.3 55.4 -62.2 -30.4 60.0 28.6 82.3 813 358 B A H 3< S+ 0 0 15 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.696 114.9 35.2 -71.9 -24.8 60.5 30.4 85.7 814 359 B Q H << S+ 0 0 86 -3,-0.9 2,-0.4 -4,-0.8 -2,-0.2 0.453 105.4 67.5-119.3 -4.5 63.3 28.2 86.9 815 360 B Y S < S- 0 0 51 -4,-1.2 -1,-0.0 -3,-0.1 5,-0.0 -0.945 73.4-125.1-120.7 143.8 65.4 27.2 83.9 816 361 B S > - 0 0 38 -2,-0.4 4,-1.2 1,-0.1 5,-0.2 -0.287 32.3-104.9 -71.9 163.0 67.6 29.5 81.7 817 362 B P H > S+ 0 0 11 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.888 123.3 54.0 -52.5 -38.5 67.1 29.7 77.9 818 363 B Q H 4 S+ 0 0 121 1,-0.2 30,-0.0 2,-0.2 29,-0.0 0.869 106.8 50.1 -67.5 -37.3 70.3 27.5 77.6 819 364 B Q H 4 S+ 0 0 100 1,-0.2 -1,-0.2 -3,-0.1 28,-0.0 0.722 118.8 39.6 -70.7 -22.2 68.9 24.8 79.8 820 365 B L H >< S+ 0 0 0 -4,-1.2 3,-2.1 -3,-0.4 23,-0.3 0.693 84.1 121.4 -97.5 -22.6 65.6 24.8 77.7 821 366 B A T 3< S- 0 0 22 -4,-1.9 24,-0.2 1,-0.3 23,-0.1 -0.139 87.5 -3.5 -57.3 126.6 67.0 25.2 74.2 822 367 B G T 3 S+ 0 0 17 22,-1.3 -1,-0.3 21,-0.6 23,-0.1 0.368 98.5 139.9 81.3 -5.2 66.0 22.4 71.8 823 368 B K < - 0 0 75 -3,-2.1 20,-2.7 21,-0.2 2,-0.5 -0.368 51.8-127.4 -76.4 150.7 64.2 20.4 74.5 824 369 B R E - U 0 842A 32 18,-0.2 -110,-2.1 -112,-0.1 -109,-2.0 -0.845 18.7-159.0 -92.7 127.4 61.0 18.5 74.1 825 370 B I E -tU 715 841A 0 16,-3.0 16,-2.8 -2,-0.5 2,-0.3 -0.946 7.9-150.8-105.6 114.6 58.3 19.4 76.7 826 371 B G E -tU 716 840A 0 -111,-2.8 -109,-3.3 -2,-0.6 2,-0.5 -0.671 11.2-161.9 -80.2 137.2 55.7 16.7 77.1 827 372 B V E -tU 717 839A 1 12,-3.1 12,-2.4 -2,-0.3 2,-0.6 -0.965 10.4-170.7-127.7 114.3 52.3 18.0 78.2 828 373 B F E -tU 718 838A 0 -111,-2.6 -109,-1.9 -2,-0.5 2,-0.5 -0.925 10.3-174.9-105.4 114.6 49.5 15.9 79.7 829 374 B S E - 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0 0 35 -388,-2.7 -386,-0.5 -2,-0.3 5,-0.1 -0.952 24.8-104.0-116.7 139.0 45.5 33.8 106.2 874 419 B A > - 0 0 49 -2,-0.4 4,-2.5 -388,-0.1 3,-0.4 -0.244 29.8-116.6 -60.5 145.1 44.5 31.6 109.2 875 420 B P H > S+ 0 0 11 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.828 114.1 54.9 -51.9 -39.1 42.4 28.5 108.5 876 421 B D H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.915 110.3 46.0 -62.6 -41.4 39.4 29.8 110.6 877 422 B V H > S+ 0 0 80 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.919 114.3 48.9 -65.0 -44.8 39.4 33.0 108.5 878 423 B F H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 109.7 52.5 -58.0 -45.8 39.7 30.9 105.3 879 424 B A H X S+ 0 0 16 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.876 109.4 48.3 -59.3 -41.4 36.9 28.6 106.5 880 425 B E H X S+ 0 0 97 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.870 107.9 55.0 -69.5 -39.6 34.5 31.6 107.1 881 426 B N H X S+ 0 0 33 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.922 109.8 47.8 -52.2 -48.0 35.4 33.0 103.6 882 427 B M H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 111.6 49.5 -62.2 -44.5 34.3 29.6 102.1 883 428 B K H X S+ 0 0 61 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.909 112.2 47.2 -61.8 -45.9 31.1 29.6 104.2 884 429 B L H X S+ 0 0 88 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.844 107.5 56.9 -64.5 -36.8 30.1 33.1 103.1 885 430 B R H X S+ 0 0 48 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.931 107.8 47.9 -59.2 -49.4 30.9 32.3 99.5 886 431 B E H >< S+ 0 0 78 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.900 114.1 47.5 -48.1 -49.2 28.4 29.4 99.6 887 432 B D H 3< S+ 0 0 105 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.831 115.4 44.2 -71.7 -32.2 25.8 31.7 101.2 888 433 B T H >< S+ 0 0 40 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.473 84.6 104.7 -84.0 -5.3 26.5 34.5 98.6 889 434 B H T << S+ 0 0 50 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.1 0.830 93.1 23.0 -56.4 -42.7 26.5 32.0 95.6 890 435 B H T 3 S+ 0 0 70 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.457 95.9 127.9 -99.7 -2.9 23.0 33.0 94.3 891 436 B L < - 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