==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-MAY-99 1QHA . COMPND 2 MOLECULE: PROTEIN (HEXOKINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ROSANO,E.SABINI,D.DERIU,M.MAGNANI,M.BOLOGNESI . 1802 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 71859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1330 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 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 . 117 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 200 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 655 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.0 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 9 4 1 4 6 1 3 4 9 1 1 0 0 3 4 4 0 0 0 0 0 2 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 4 0 1 0 11 0 4 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 . 5 8 2 1 8 0 4 0 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 5 1 3 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 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 12 A T 0 0 189 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-128.6 55.4 3.9 -43.6 2 13 A E - 0 0 127 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.945 360.0-142.0-112.8 95.5 57.3 4.4 -40.4 3 14 A L - 0 0 118 -2,-0.5 2,-0.4 1,-0.0 0, 0.0 -0.576 10.7-145.9 -65.4 128.8 54.8 6.8 -38.6 4 15 A K - 0 0 138 -2,-0.4 2,-0.1 1,-0.1 5,-0.1 -0.754 21.8-105.4-103.2 138.3 56.5 9.6 -36.6 5 16 A D - 0 0 64 -2,-0.4 2,-0.2 4,-0.1 -1,-0.1 -0.407 32.4-166.4 -58.2 137.3 55.0 10.9 -33.3 6 17 A D > - 0 0 87 -2,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.395 46.9 -78.3-109.8-177.0 53.3 14.3 -33.2 7 18 A Q H > S+ 0 0 64 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.944 130.3 50.6 -49.8 -55.0 52.3 16.3 -30.1 8 19 A V H > S+ 0 0 45 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.952 110.6 46.7 -49.0 -51.3 49.2 14.2 -29.6 9 20 A K H > S+ 0 0 94 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.855 113.1 51.2 -63.3 -39.6 51.0 10.9 -29.7 10 21 A K H X S+ 0 0 112 -4,-2.1 4,-3.0 2,-0.2 3,-0.4 0.904 109.0 49.8 -64.4 -43.7 53.7 12.2 -27.4 11 22 A I H X S+ 0 0 11 -4,-3.1 4,-3.0 1,-0.3 -2,-0.2 0.936 106.6 54.6 -63.9 -39.9 51.2 13.4 -24.8 12 23 A D H < S+ 0 0 35 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.795 112.6 45.5 -59.7 -33.3 49.4 10.0 -24.9 13 24 A K H >< S+ 0 0 140 -4,-0.9 3,-1.4 -3,-0.4 -2,-0.2 0.900 113.0 48.6 -71.5 -53.1 52.9 8.6 -24.1 14 25 A Y H 3< S+ 0 0 76 -4,-3.0 3,-0.3 1,-0.3 -2,-0.2 0.860 122.6 34.1 -49.7 -47.5 53.6 11.2 -21.4 15 26 A L T >< S+ 0 0 4 -4,-3.0 3,-1.7 -5,-0.2 4,-0.3 -0.135 78.0 131.3-104.3 28.8 50.2 10.6 -19.7 16 27 A Y G X + 0 0 174 -3,-1.4 3,-2.7 1,-0.3 -1,-0.2 0.916 64.6 64.0 -47.0 -45.0 50.0 6.9 -20.5 17 28 A A G 3 S+ 0 0 58 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.723 101.6 50.4 -61.9 -15.9 49.0 6.1 -16.9 18 29 A M G < S+ 0 0 5 -3,-1.7 2,-0.9 -6,-0.1 -1,-0.3 0.383 87.8 88.8 -96.9 -7.7 45.8 8.1 -17.2 19 30 A R < - 0 0 132 -3,-2.7 2,-0.6 -4,-0.3 -1,-0.1 -0.894 66.8-168.6 -95.0 98.0 44.8 6.3 -20.4 20 31 A L - 0 0 21 -2,-0.9 -3,-0.1 4,-0.0 -2,-0.0 -0.876 5.2-149.9 -98.9 119.0 42.8 3.4 -19.0 21 32 A S >> - 0 0 49 -2,-0.6 4,-2.2 1,-0.1 3,-1.0 -0.176 34.1 -95.3 -77.6 165.1 41.8 0.5 -21.3 22 33 A D H 3> S+ 0 0 45 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.931 124.6 55.1 -51.0 -42.1 38.7 -1.9 -21.1 23 34 A E H 3> S+ 0 0 139 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.868 108.9 46.5 -58.7 -37.8 40.9 -4.4 -19.2 24 35 A T H <> S+ 0 0 47 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.874 112.9 48.8 -78.1 -26.4 41.9 -1.9 -16.5 25 36 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.861 107.1 54.5 -80.7 -34.9 38.4 -0.6 -16.0 26 37 A I H X S+ 0 0 82 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.849 108.3 51.7 -61.5 -36.0 37.0 -4.1 -15.7 27 38 A D H X S+ 0 0 76 -4,-1.2 4,-2.4 -5,-0.3 -2,-0.2 0.941 111.2 46.4 -64.8 -44.1 39.6 -4.7 -12.9 28 39 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.923 110.0 53.9 -62.4 -47.5 38.4 -1.5 -11.1 29 40 A M H X S+ 0 0 11 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.868 110.4 45.9 -52.3 -48.6 34.8 -2.4 -11.5 30 41 A T H X S+ 0 0 88 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.878 111.7 52.3 -65.6 -42.2 35.4 -5.9 -9.9 31 42 A R H X S+ 0 0 51 -4,-2.4 4,-1.7 2,-0.2 3,-0.3 0.907 111.2 47.1 -59.3 -43.2 37.4 -4.2 -7.1 32 43 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.875 107.5 57.6 -66.1 -36.8 34.5 -1.9 -6.6 33 44 A R H X S+ 0 0 75 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.862 108.0 46.0 -58.5 -37.3 32.1 -4.8 -6.6 34 45 A K H X S+ 0 0 88 -4,-1.6 4,-3.9 -3,-0.3 -1,-0.2 0.820 109.5 55.3 -81.4 -29.5 34.0 -6.5 -3.7 35 46 A E H X S+ 0 0 19 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.845 107.0 49.3 -69.6 -36.9 34.1 -3.2 -1.7 36 47 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.904 114.7 44.6 -64.3 -46.7 30.3 -2.8 -1.9 37 48 A K H >X S+ 0 0 115 -4,-1.3 4,-2.0 1,-0.3 3,-1.1 0.995 112.5 53.1 -63.1 -49.8 29.9 -6.4 -0.7 38 49 A N H 3< S+ 0 0 36 -4,-3.9 6,-0.3 1,-0.3 -1,-0.3 0.843 109.9 49.3 -46.7 -50.4 32.6 -5.6 1.8 39 50 A G H 3< S+ 0 0 2 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.728 109.3 49.1 -67.6 -27.5 30.5 -2.6 2.9 40 51 A L H << S+ 0 0 10 -4,-1.6 195,-1.1 -3,-1.1 196,-0.4 0.822 94.2 86.9 -83.3 -24.1 27.2 -4.4 3.3 41 52 A S S >X S- 0 0 23 -4,-2.0 3,-1.5 -5,-0.2 4,-1.0 -0.485 71.4-139.9 -85.3 140.8 28.5 -7.3 5.5 42 53 A R T 34 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.659 100.0 64.0 -65.9 -15.8 28.8 -7.1 9.2 43 54 A D T 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.486 118.4 18.9 -82.8 -13.4 32.1 -9.0 9.0 44 55 A F T <4 S+ 0 0 83 -3,-1.5 3,-0.5 -6,-0.3 4,-0.5 0.419 94.8 95.3-136.8 11.9 34.0 -6.3 7.0 45 56 A N S < S+ 0 0 39 -4,-1.0 3,-0.3 1,-0.2 -3,-0.1 0.771 73.2 66.0 -78.2 -35.9 32.2 -3.0 7.4 46 57 A P S S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 1640,-0.1 0.818 116.4 29.5 -63.4 -21.3 34.1 -1.4 10.3 47 58 A T S S+ 0 0 46 -3,-0.5 -2,-0.2 -9,-0.1 -8,-0.1 0.399 93.3 119.7-114.7 -3.0 37.2 -1.2 8.1 48 59 A A - 0 0 19 -4,-0.5 3,-0.1 -3,-0.3 -3,-0.1 -0.297 52.2-153.3 -57.5 145.0 35.5 -0.8 4.7 49 60 A T S S+ 0 0 23 1,-0.2 2,-1.0 2,-0.0 203,-0.2 0.795 88.0 65.1 -94.0 -22.9 36.3 2.4 2.7 50 61 A V S S- 0 0 0 -15,-0.2 -1,-0.2 1,-0.1 199,-0.1 -0.708 75.3-163.3 -97.8 92.5 33.0 2.2 0.8 51 62 A K - 0 0 41 -2,-1.0 198,-0.2 198,-0.3 -1,-0.1 0.554 6.5-156.4 -61.4 -17.1 30.5 2.8 3.7 52 63 A M - 0 0 4 196,-1.3 196,-0.3 1,-0.2 -1,-0.1 0.895 26.5-155.7 43.4 63.7 27.5 1.5 1.8 53 64 A L E -A 247 0A 18 194,-3.1 194,-2.7 1,-0.1 -1,-0.2 -0.557 14.0-121.9 -91.1 139.5 25.2 3.5 4.1 54 65 A P E -A 246 0A 21 0, 0.0 95,-0.3 0, 0.0 192,-0.2 -0.376 23.7-177.8 -69.1 136.8 21.5 3.0 5.0 55 66 A T - 0 0 5 190,-0.9 3,-0.1 2,-0.2 191,-0.1 0.475 36.1-126.1-117.4 -7.8 19.2 5.9 4.2 56 67 A F + 0 0 49 1,-0.2 2,-0.6 189,-0.2 96,-0.1 0.674 68.1 130.6 68.7 13.6 15.8 4.7 5.4 57 68 A V - 0 0 9 188,-0.4 188,-2.3 1,-0.1 -1,-0.2 -0.913 35.5-174.9 -98.7 111.3 14.2 5.4 2.0 58 69 A R - 0 0 102 -2,-0.6 185,-0.4 1,-0.3 2,-0.3 0.686 56.7 -11.5 -93.2 -11.3 12.4 2.2 1.1 59 70 A S S S- 0 0 72 183,-0.1 -1,-0.3 186,-0.1 3,-0.1 -0.990 73.3 -79.9-174.4 168.2 11.2 3.0 -2.4 60 71 A I S S- 0 0 21 -2,-0.3 144,-0.1 153,-0.2 145,-0.1 -0.195 70.9 -74.8 -72.1 149.5 10.7 5.5 -5.2 61 72 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 384,-0.1 -0.286 38.9-162.8 -46.7 142.7 7.6 7.8 -5.0 62 73 A D - 0 0 110 -3,-0.1 -2,-0.0 149,-0.0 149,-0.0 0.267 46.5-103.4-113.1 4.1 4.4 5.9 -5.8 63 74 A G S S+ 0 0 37 1,-0.0 25,-0.2 25,-0.0 145,-0.0 0.380 97.8 103.4 95.1 0.1 2.3 9.0 -6.4 64 75 A S + 0 0 64 24,-0.1 2,-0.1 23,-0.1 -1,-0.0 0.555 50.4 119.7 -85.2 -6.7 0.3 9.1 -3.2 65 76 A E + 0 0 14 22,-0.0 23,-0.4 2,-0.0 2,-0.3 -0.374 36.2 159.0 -62.4 133.3 2.5 11.9 -1.9 66 77 A K + 0 0 74 21,-0.1 2,-0.3 -2,-0.1 21,-0.3 -0.983 22.2 58.8-154.0 144.7 0.5 15.1 -1.3 67 78 A G E S-F 86 0B 25 19,-3.6 19,-1.7 -2,-0.3 2,-0.4 -0.925 71.5 -74.4 134.0-164.5 1.0 18.2 0.8 68 79 A D E +F 85 0B 31 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.999 46.5 154.5-149.3 128.7 3.4 21.1 1.1 69 80 A F E -F 84 0B 5 15,-1.2 15,-2.2 -2,-0.4 70,-0.2 -0.980 35.1-120.8-156.2 152.4 6.9 21.3 2.6 70 81 A I - 0 0 0 68,-2.4 14,-0.1 -2,-0.3 2,-0.1 0.300 25.1-160.2 -77.5-143.5 10.2 23.2 2.5 71 82 A A - 0 0 2 68,-0.1 11,-1.9 11,-0.1 2,-0.4 -0.312 7.2-144.3 156.2 108.1 13.4 21.5 1.6 72 83 A L E -Hi 81 141C 0 68,-4.6 70,-3.6 9,-0.2 2,-0.6 -0.846 6.2-160.7 -98.4 139.0 17.0 22.6 2.3 73 84 A D E +Hi 80 142C 26 7,-2.2 7,-1.6 -2,-0.4 2,-0.5 -0.852 21.3 168.0-121.7 94.0 19.9 21.9 -0.2 74 85 A L E + i 0 143C 2 68,-3.4 70,-2.4 -2,-0.6 5,-0.1 -0.930 47.8 28.7-120.1 128.1 23.3 22.1 1.5 75 86 A G S S+ 0 0 4 -2,-0.5 88,-0.3 1,-0.3 -1,-0.1 0.337 87.0 89.7 116.8 -2.0 26.7 21.1 0.2 76 87 A G S S- 0 0 34 2,-0.4 -1,-0.3 -3,-0.1 3,-0.1 -0.057 101.8 -68.2 -93.6-158.1 26.8 21.4 -3.6 77 88 A S S S+ 0 0 84 1,-0.2 2,-0.4 -3,-0.1 -3,-0.0 0.745 120.9 39.2 -71.3 -25.5 27.8 24.5 -5.5 78 89 A S S S- 0 0 45 24,-0.1 2,-1.0 2,-0.0 -2,-0.4 -0.989 72.0-138.5-130.8 131.9 24.7 26.4 -4.4 79 90 A F B -K 101 0D 10 22,-0.6 22,-2.8 -2,-0.4 2,-0.3 -0.729 40.5-177.3 -75.4 105.4 22.9 26.5 -1.1 80 91 A R E -H 73 0C 82 -7,-1.6 -7,-2.2 -2,-1.0 2,-0.4 -0.738 22.2-158.2-109.2 155.1 19.3 26.4 -2.3 81 92 A I E -H 72 0C 0 -2,-0.3 18,-1.4 -9,-0.2 2,-0.2 -0.971 19.6-174.1-133.3 120.7 15.9 26.6 -0.5 82 93 A L E - G 0 98B 6 -11,-1.9 2,-0.4 -2,-0.4 16,-0.3 -0.617 22.9-147.6-107.5 169.1 12.7 25.3 -2.2 83 94 A R E - G 0 97B 51 14,-2.7 14,-2.3 -2,-0.2 2,-0.5 -1.000 21.1-166.1-133.0 126.5 9.0 25.1 -1.8 84 95 A V E -FG 69 96B 0 -15,-2.2 -15,-1.2 -2,-0.4 2,-0.4 -0.973 5.9-174.5-122.3 123.3 7.3 22.0 -3.1 85 96 A Q E +FG 68 95B 80 10,-1.9 10,-1.8 -2,-0.5 2,-0.2 -0.895 14.2 149.3-116.6 136.7 3.5 21.5 -3.7 86 97 A V E +F 67 0B 1 -19,-1.7 -19,-3.6 -2,-0.4 7,-0.2 -0.837 10.1 143.8-154.9 144.9 1.6 18.4 -4.8 87 98 A N >> + 0 0 48 5,-1.7 4,-0.7 4,-0.3 3,-0.6 -0.364 11.4 171.1-175.7 75.9 -1.8 16.8 -4.2 88 99 A H G >4 + 0 0 65 -23,-0.4 2,-9.9 1,-0.3 3,-1.5 0.946 63.5 79.7 -68.2 -39.5 -3.2 15.0 -7.3 89 100 A E G 34 S+ 0 0 146 1,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.668 112.4 25.2 -54.2 39.1 -6.2 13.3 -5.8 90 101 A K G <4 S- 0 0 171 -2,-9.9 2,-0.4 -3,-0.6 -1,-0.4 0.448 126.0 -84.4 178.8 -46.4 -7.7 16.4 -6.0 91 102 A N S << S+ 0 0 127 -3,-1.5 -4,-0.3 -4,-0.7 -1,-0.3 -0.993 82.6 95.8-165.0 -98.6 -6.0 18.4 -8.9 92 103 A Q - 0 0 148 -2,-0.4 -5,-1.7 -6,-0.1 -1,-0.2 0.544 56.9-142.6 -2.3 103.8 -2.9 20.5 -8.8 93 104 A N - 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0 0 22 -2,-1.3 -3,-0.1 4,-0.1 -2,-0.1 -0.653 4.3-140.9 -78.4 132.6 7.7 -46.9 17.3 921 32 B S > - 0 0 44 -2,-0.4 4,-2.7 1,-0.1 5,-0.1 -0.252 26.1-108.5 -83.9 170.5 8.3 -47.7 13.7 922 33 B D H > S+ 0 0 45 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.896 121.3 54.2 -62.0 -33.3 11.4 -47.0 11.7 923 34 B E H > S+ 0 0 142 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.938 109.2 46.0 -68.4 -46.6 9.5 -44.3 9.8 924 35 B T H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.968 113.9 50.2 -60.9 -35.7 8.4 -42.6 13.1 925 36 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.930 108.0 51.6 -73.5 -36.6 12.0 -42.9 14.3 926 37 B I H X S+ 0 0 68 -4,-3.6 4,-1.8 1,-0.2 -1,-0.3 0.845 111.4 50.0 -62.9 -31.1 13.3 -41.3 11.1 927 38 B D H X S+ 0 0 69 -4,-1.5 4,-2.0 -3,-0.4 -2,-0.3 0.954 108.4 50.5 -73.3 -44.0 10.8 -38.6 11.8 928 39 B I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.918 110.1 52.8 -55.5 -43.0 12.0 -38.2 15.4 929 40 B M H X S+ 0 0 15 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.937 105.6 51.3 -63.6 -41.7 15.6 -37.9 14.1 930 41 B T H X S+ 0 0 63 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.928 110.9 49.2 -63.1 -50.1 14.9 -35.2 11.6 931 42 B R H X S+ 0 0 47 -4,-2.0 4,-2.8 2,-0.2 3,-0.4 0.950 111.1 49.1 -55.0 -43.9 13.2 -33.1 14.4 932 43 B F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.918 107.4 57.7 -64.7 -33.0 16.2 -33.6 16.6 933 44 B R H X S+ 0 0 68 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.3 0.884 109.1 43.8 -62.5 -36.5 18.3 -32.6 13.7 934 45 B K H X S+ 0 0 132 -4,-1.7 4,-3.3 -3,-0.4 -2,-0.2 0.861 108.7 56.9 -78.1 -37.8 16.4 -29.2 13.5 935 46 B E H X S+ 0 0 17 -4,-2.8 4,-2.8 2,-0.2 15,-0.2 0.893 106.0 50.7 -59.0 -38.1 16.6 -28.7 17.3 936 47 B M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.969 111.1 48.7 -63.0 -48.3 20.4 -28.9 17.2 937 48 B K H X S+ 0 0 104 -4,-1.4 4,-1.2 1,-0.2 3,-0.4 0.962 112.3 49.5 -53.8 -51.2 20.4 -26.4 14.5 938 49 B N H < S+ 0 0 38 -4,-3.3 3,-0.3 1,-0.2 -1,-0.2 0.877 111.2 49.0 -57.5 -43.5 18.1 -24.2 16.5 939 50 B G H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.795 110.6 48.4 -74.3 -25.3 20.3 -24.5 19.6 940 51 B L H < S+ 0 0 9 -4,-2.2 197,-1.6 -3,-0.4 198,-0.4 0.647 94.3 95.7 -80.3 -18.7 23.6 -23.6 17.9 941 52 B S X - 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0 0 19 -4,-2.3 2,-0.1 4,-0.1 19,-0.0 -0.402 66.2-152.0 -64.7 136.0 4.2 -39.1 24.3 1166 275 B T > - 0 0 18 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.466 33.1 -93.9-100.4 179.3 1.4 -41.3 25.7 1167 276 B E H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.807 126.1 58.0 -58.7 -33.8 -1.0 -40.9 28.7 1168 277 B F H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 106.8 48.3 -67.5 -35.4 1.5 -42.9 30.8 1169 278 B D H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.911 110.8 49.6 -69.6 -38.3 4.1 -40.3 30.0 1170 279 B R H X S+ 0 0 87 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.862 111.6 50.3 -66.2 -32.5 1.8 -37.5 30.9 1171 280 B E H X S+ 0 0 61 -4,-2.0 4,-0.8 2,-0.2 3,-0.3 0.919 109.5 49.4 -74.8 -34.6 0.9 -39.2 34.2 1172 281 B I H >< S+ 0 0 11 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.958 106.6 56.8 -68.1 -44.3 4.6 -39.7 35.1 1173 282 B D H >< S+ 0 0 20 -4,-2.4 3,-0.8 1,-0.3 5,-0.3 0.809 103.3 54.5 -52.3 -37.8 5.4 -36.1 34.4 1174 283 B R H 3< S+ 0 0 76 -4,-1.1 -626,-2.1 -3,-0.3 -1,-0.3 0.665 107.7 47.6 -71.9 -26.7 2.7 -35.0 36.9 1175 284 B G T << S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-0.8 -629,-0.2 0.292 97.5 110.9 -90.0 0.8 4.2 -37.0 39.7 1176 285 B S S < S- 0 0 10 -3,-0.8 -628,-0.1 -4,-0.4 -3,-0.1 -0.298 76.4-126.8 -85.0 165.5 7.6 -35.7 38.9 1177 286 B L S S+ 0 0 65 1,-0.3 -1,-0.1 -113,-0.2 -3,-0.1 -0.117 110.9 33.9 -88.9 8.0 9.9 -33.3 40.7 1178 287 B N S > S- 0 0 18 -5,-0.3 3,-2.1 3,-0.1 -1,-0.3 -0.126 84.5-164.6-156.5 54.9 10.2 -31.2 37.5 1179 288 B P T 3 S+ 0 0 46 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.262 74.5 19.3 -62.4 142.0 6.8 -31.3 35.7 1180 289 B G T 3 S+ 0 0 33 1,-0.2 3,-0.3 2,-0.0 2,-0.2 0.176 108.6 97.1 85.6 -21.4 6.9 -30.1 32.2 1181 290 B K S < S+ 0 0 94 -3,-2.1 -1,-0.2 1,-0.2 5,-0.1 -0.597 75.2 15.3-112.1 157.5 10.7 -30.5 31.8 1182 291 B Q > + 0 0 7 -2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.838 68.1 162.9 59.0 42.8 13.0 -33.1 30.4 1183 292 B L T 4 + 0 0 9 -3,-0.3 4,-0.2 -29,-0.3 -29,-0.2 0.756 68.8 51.0 -70.4 -30.2 10.3 -34.9 28.6 1184 293 B F T >> S+ 0 0 0 -31,-1.6 3,-1.9 -29,-0.7 4,-0.5 0.926 109.5 53.8 -69.0 -37.5 12.4 -37.0 26.2 1185 294 B E H >> S+ 0 0 5 -32,-1.3 4,-2.4 1,-0.3 3,-1.1 0.850 100.2 61.3 -60.4 -36.5 14.4 -38.2 29.2 1186 295 B K H 3< S+ 0 0 2 -4,-1.5 -1,-0.3 -33,-0.3 -2,-0.2 0.538 105.5 46.2 -72.7 -12.8 11.2 -39.3 30.8 1187 296 B M H <4 S+ 0 0 1 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.473 125.2 29.6-101.2 -8.3 10.6 -41.8 28.0 1188 297 B V H << S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.2 0.771 92.5 87.1-114.7 -52.9 14.2 -43.1 28.0 1189 298 B S S >X S- 0 0 0 -4,-2.4 4,-1.7 -5,-0.1 3,-1.6 0.022 73.1-113.0 -82.1 160.9 16.1 -43.1 31.3 1190 299 B G H 3> S+ 0 0 15 -68,-3.0 4,-0.6 1,-0.3 37,-0.4 0.782 109.3 63.2 -59.1 -31.5 16.5 -45.5 34.2 1191 300 B M H 34 S+ 0 0 38 -68,-1.1 -1,-0.3 -69,-0.5 4,-0.2 0.733 115.7 31.7 -67.1 -18.4 14.8 -43.3 36.8 1192 301 B Y H <> S+ 0 0 9 -3,-1.6 4,-2.3 -7,-0.2 3,-0.2 0.698 96.4 76.1-109.7 -33.3 11.6 -43.5 34.8 1193 302 B L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 5,-0.3 0.923 95.0 52.8 -59.6 -41.5 11.2 -46.8 33.0 1194 303 B G H X S+ 0 0 3 -4,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.934 112.4 44.8 -54.6 -45.5 10.3 -48.8 36.0 1195 304 B E H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.846 107.8 59.7 -72.7 -32.9 7.4 -46.4 37.0 1196 305 B L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.945 109.3 41.9 -60.1 -52.9 6.3 -46.3 33.4 1197 306 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.884 112.5 55.4 -66.4 -32.8 5.7 -50.0 33.4 1198 307 B R H X S+ 0 0 9 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.922 105.9 51.2 -62.0 -46.5 4.1 -49.8 36.9 1199 308 B L H X S+ 0 0 12 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.893 111.2 47.7 -60.9 -37.2 1.7 -47.2 35.6 1200 309 B I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.787 109.3 53.5 -69.5 -35.5 0.7 -49.5 32.8 1201 310 B L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.895 107.1 51.2 -69.5 -39.3 0.3 -52.5 35.1 1202 311 B V H X S+ 0 0 11 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.971 112.7 47.4 -61.2 -44.5 -2.1 -50.6 37.4 1203 312 B K H X S+ 0 0 64 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.827 113.9 44.0 -64.2 -45.4 -4.2 -49.6 34.4 1204 313 B M H <>S+ 0 0 5 -4,-1.9 5,-3.6 2,-0.2 6,-0.8 0.795 114.9 52.6 -65.6 -35.5 -4.3 -53.1 32.9 1205 314 B A H ><5S+ 0 0 0 -4,-2.5 3,-1.9 4,-0.2 -2,-0.2 0.957 106.7 50.7 -64.4 -49.9 -5.0 -54.3 36.5 1206 315 B K H 3<5S+ 0 0 122 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.841 111.2 50.0 -58.2 -29.9 -7.9 -51.9 36.9 1207 316 B E T 3<5S- 0 0 96 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.051 118.2-111.2 -94.3 15.6 -9.4 -53.1 33.6 1208 317 B G T < 5S+ 0 0 46 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.678 85.0 119.9 63.6 25.6 -9.1 -56.8 34.6 1209 318 B L S S+ 0 0 2 -6,-0.8 3,-2.0 -5,-0.2 4,-0.2 -0.991 120.8 5.5-139.8 150.9 -3.8 -58.6 34.7 1211 320 B F G > S- 0 0 0 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.813 118.0 -76.9 53.7 29.3 -4.0 -60.6 37.9 1212 321 B E G 3 S- 0 0 174 1,-0.3 -1,-0.3 -4,-0.1 -3,-0.1 0.866 93.8 -54.3 38.8 41.4 -7.6 -61.2 37.1 1213 322 B G G < S+ 0 0 29 -3,-2.0 2,-0.6 1,-0.2 -1,-0.3 0.574 92.6 150.3 77.0 22.8 -8.1 -57.7 38.3 1214 323 B R < - 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0 0 85 -2,-0.5 4,-1.5 -32,-0.2 3,-1.3 -0.456 33.1-116.2 -82.8 157.8 12.3 -50.3 39.6 1227 336 B T H 3> S+ 0 0 20 -37,-0.4 4,-2.8 1,-0.3 5,-0.2 0.880 118.0 63.2 -60.3 -27.0 14.2 -50.3 36.3 1228 337 B S H 3> S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.845 101.0 50.5 -72.2 -19.4 16.3 -53.1 37.9 1229 338 B D H <> S+ 0 0 34 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.888 107.6 53.2 -83.0 -31.2 13.1 -55.2 38.0 1230 339 B V H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.951 112.6 45.4 -70.5 -38.3 12.5 -54.4 34.3 1231 340 B S H < S+ 0 0 7 -4,-2.8 3,-0.4 1,-0.2 4,-0.3 0.939 112.4 48.7 -64.2 -53.0 16.0 -55.6 33.6 1232 341 B A H >< S+ 0 0 20 -4,-2.1 3,-1.1 1,-0.2 10,-0.3 0.875 109.4 55.2 -55.5 -41.4 15.7 -58.7 35.7 1233 342 B I H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 104.6 53.5 -66.5 -23.2 12.4 -59.5 34.0 1234 343 B E T 3< S+ 0 0 5 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.287 77.0 123.2 -96.2 10.7 13.9 -59.4 30.5 1235 344 B K <> - 0 0 79 -3,-1.1 4,-1.3 -4,-0.3 5,-0.2 -0.483 65.5-124.8 -71.7 146.3 16.7 -61.9 31.2 1236 345 B N T 4 S+ 0 0 127 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.875 96.6 17.0 -61.7 -54.3 16.6 -64.8 28.8 1237 346 B K T 4 S+ 0 0 182 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.758 136.5 33.2 -89.3 -37.6 16.5 -67.9 31.0 1238 347 B E T > S+ 0 0 88 1,-0.1 4,-3.0 2,-0.1 5,-0.2 0.595 85.4 101.2 -97.3 -8.0 15.4 -66.4 34.3 1239 348 B G H X S+ 0 0 1 -4,-1.3 4,-2.9 1,-0.3 5,-0.2 0.880 86.4 43.5 -48.9 -47.7 13.2 -63.6 33.3 1240 349 B L H > S+ 0 0 70 -5,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.905 113.3 52.1 -70.0 -34.5 9.9 -65.3 33.9 1241 350 B H H > S+ 0 0 147 -4,-0.3 4,-1.9 -3,-0.2 -2,-0.2 0.959 111.3 48.5 -67.6 -38.3 11.1 -66.7 37.2 1242 351 B N H X S+ 0 0 37 -4,-3.0 4,-2.1 -10,-0.3 -2,-0.2 0.912 108.0 54.5 -66.4 -45.0 12.1 -63.2 38.2 1243 352 B A H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 5,-0.4 0.888 107.5 49.9 -55.9 -39.6 8.7 -61.8 37.2 1244 353 B K H X S+ 0 0 77 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.964 111.1 48.4 -66.0 -49.3 6.8 -64.3 39.4 1245 354 B E H X S+ 0 0 136 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.912 116.6 42.6 -54.6 -45.7 9.0 -63.6 42.5 1246 355 B I H X S+ 0 0 26 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.892 116.6 44.1 -74.1 -38.3 8.7 -59.8 42.2 1247 356 B L H <>S+ 0 0 1 -4,-2.5 5,-1.5 2,-0.2 4,-0.3 0.816 112.8 54.9 -74.2 -35.3 5.0 -59.7 41.3 1248 357 B T H ><5S+ 0 0 75 -4,-2.4 3,-1.4 -5,-0.4 5,-0.3 0.941 106.0 51.6 -59.9 -42.4 4.4 -62.2 44.1 1249 358 B R H 3<5S+ 0 0 208 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.723 103.9 57.8 -64.3 -23.0 6.2 -59.8 46.4 1250 359 B L T 3<5S- 0 0 14 -4,-0.8 -31,-0.5 -5,-0.1 -32,-0.3 0.469 116.1-118.2 -88.1 -4.8 3.8 -57.0 45.2 1251 360 B G T < 5S+ 0 0 30 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.474 78.0 120.1 92.7 1.6 0.9 -59.2 46.3 1252 361 B V S - 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0 0 24 -3,-0.4 -1,-0.3 1,-0.2 3,-0.2 -0.265 48.3 -60.9 78.5-178.9 45.9 22.4 13.0 1788 897 B S T 3> S+ 0 0 4 1,-0.1 4,-1.9 2,-0.1 -1,-0.2 0.138 105.1 97.0 -83.9 1.4 48.2 24.9 14.8 1789 898 B G H <> S+ 0 0 1 -3,-0.7 4,-2.9 2,-0.2 5,-0.1 0.862 73.8 55.0 -75.1 -42.8 48.2 27.6 12.1 1790 899 B K H > S+ 0 0 17 -4,-0.3 4,-2.9 -3,-0.2 -1,-0.2 0.953 113.6 47.5 -50.5 -46.3 45.6 30.1 13.1 1791 900 B G H > S+ 0 0 0 2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.889 110.3 47.0 -67.6 -50.0 47.4 30.3 16.4 1792 901 B A H X S+ 0 0 0 -4,-1.9 4,-3.9 2,-0.2 -1,-0.2 0.925 114.1 53.1 -59.2 -38.9 50.9 30.7 15.1 1793 902 B A H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.3 0.949 107.9 47.9 -57.8 -47.0 49.3 33.3 12.8 1794 903 B L H < S+ 0 0 1 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.852 116.4 44.2 -60.5 -36.6 47.7 35.1 15.8 1795 904 B I H >X S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.2 4,-1.5 0.939 108.4 57.9 -77.9 -44.7 51.1 35.1 17.6 1796 905 B T H 3< S+ 0 0 0 -4,-3.9 -2,-0.2 1,-0.3 -1,-0.2 0.859 100.1 58.4 -55.2 -37.8 52.9 36.1 14.4 1797 906 B A T 3X S+ 0 0 10 -4,-2.1 4,-1.3 1,-0.2 -1,-0.3 0.752 101.3 57.3 -60.3 -27.5 50.6 39.2 14.3 1798 907 B V H <> S+ 0 0 32 -3,-1.6 4,-1.8 -4,-0.5 -2,-0.2 0.958 105.3 48.7 -75.8 -41.4 52.0 40.1 17.8 1799 908 B G H >< S+ 0 0 8 -4,-1.5 3,-2.0 2,-0.2 2,-1.1 0.437 106.4 53.6 -54.2-115.6 55.7 40.1 16.6 1800 909 B V H 3> S+ 0 0 34 1,-0.3 4,-1.9 2,-0.2 5,-0.2 -0.027 111.0 49.5 20.4 -76.2 55.1 42.3 13.5 1801 910 B R H 3< S+ 0 0 98 -4,-1.3 4,-0.4 -2,-1.1 -1,-0.3 0.883 119.9 36.5 -47.4 -43.2 53.5 44.8 15.9 1802 911 B L T << S+ 0 0 106 -3,-2.0 3,-0.5 -4,-1.8 -1,-0.2 0.880 114.5 51.7 -88.2 -26.3 56.4 44.6 18.2 1803 912 B R T 4 S+ 0 0 119 1,-0.3 -2,-0.2 -5,-0.2 -1,-0.2 0.763 116.4 48.1 -76.3 -10.0 59.2 44.2 15.6 1804 913 B T < 0 0 79 -4,-1.9 -2,-0.3 1,-0.2 -1,-0.3 0.645 360.0 360.0-101.1 -14.4 57.3 47.3 14.4 1805 914 B E 0 0 189 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 -0.110 360.0 360.0 40.5 360.0 57.3 49.0 17.8