==== 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 05-AUG-09 3IKH . COMPND 2 MOLECULE: CARBOHYDRATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR L.SATYANARAYANA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEAR . 1140 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 816 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 162 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 8.9 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 . 4 0.4 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 . 0 0.0 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 . 100 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 5 2 1 4 4 2 0 7 0 3 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 7 13 4 3 1 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 . 0 0 0 7 4 1 4 0 0 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 0 0 4 0 0 0 4 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 -2 A S 0 0 162 0, 0.0 2,-0.2 0, 0.0 244,-0.0 0.000 360.0 360.0 360.0 -8.4 -4.1 18.5 120.3 2 -1 A L - 0 0 87 242,-0.1 52,-0.4 129,-0.1 2,-0.3 -0.621 360.0-145.6 -76.5 146.9 -2.5 20.8 123.0 3 2 A R - 0 0 41 -2,-0.2 130,-2.7 126,-0.2 2,-0.5 -0.822 3.8-134.2-118.4 159.3 -1.6 24.0 121.2 4 3 A V E -ab 55 133A 1 50,-2.3 52,-2.6 -2,-0.3 2,-0.5 -0.944 9.7-165.2-118.7 130.7 1.3 26.5 121.6 5 4 A Y E -ab 56 134A 2 128,-3.3 130,-2.9 -2,-0.5 2,-0.6 -0.957 8.4-165.2-111.9 119.1 1.0 30.2 121.8 6 5 A V E -ab 57 135A 0 50,-3.2 52,-3.5 -2,-0.5 2,-0.8 -0.912 5.1-172.0-110.1 113.4 4.3 32.1 121.4 7 6 A T E +ab 58 136A 0 128,-1.7 130,-0.5 -2,-0.6 2,-0.2 -0.893 46.5 89.9-104.4 105.2 4.3 35.8 122.3 8 7 A G - 0 0 1 50,-1.6 52,-0.4 -2,-0.8 2,-0.2 -0.688 69.7 -54.4-160.9-144.3 7.7 37.2 121.2 9 8 A N - 0 0 24 -2,-0.2 33,-1.5 50,-0.2 2,-0.3 -0.602 24.8-160.0-115.5 173.5 9.5 38.9 118.4 10 9 A I + 0 0 2 50,-0.4 29,-0.3 -2,-0.2 2,-0.2 -0.962 21.9 170.3-150.6 135.3 10.2 38.3 114.7 11 10 A T E -I 38 0B 6 27,-2.3 27,-2.2 -2,-0.3 2,-0.5 -0.751 36.7-116.1-136.6-178.2 13.0 40.0 112.7 12 11 A V E -Ij 37 92B 0 79,-0.6 81,-1.7 25,-0.3 2,-0.7 -0.998 27.9-155.0-122.5 118.4 15.0 40.2 109.5 13 12 A D E -Ij 36 93B 19 23,-3.5 23,-1.8 -2,-0.5 2,-0.6 -0.892 10.8-160.4 -98.9 115.7 18.7 39.3 110.2 14 13 A E E -Ij 35 94B 2 79,-3.3 81,-3.9 -2,-0.7 2,-0.7 -0.862 5.6-152.0-101.1 123.0 20.8 40.9 107.5 15 14 A T E -Ij 34 95B 27 19,-2.9 19,-1.4 -2,-0.6 18,-1.4 -0.836 16.4-171.6 -96.3 114.5 24.3 39.6 106.8 16 15 A W E -Ij 32 96B 2 79,-3.0 81,-3.7 -2,-0.7 2,-0.6 -0.910 12.0-150.1-110.3 132.1 26.6 42.3 105.5 17 16 A S E +Ij 31 97B 50 14,-3.4 14,-2.7 -2,-0.5 81,-0.2 -0.869 27.0 160.1-101.7 123.7 30.1 41.7 104.2 18 17 A I - 0 0 4 79,-2.5 81,-0.3 -2,-0.6 3,-0.1 -0.959 49.4-118.4-139.1 156.2 32.6 44.5 104.6 19 18 A P S S- 0 0 87 0, 0.0 80,-1.7 0, 0.0 82,-0.6 0.918 93.1 -27.9 -59.4 -42.8 36.4 44.7 104.6 20 19 A D S S- 0 0 71 78,-0.2 77,-0.1 79,-0.1 -3,-0.0 -0.967 81.1 -74.2-167.7 158.6 36.4 46.0 108.1 21 20 A I - 0 0 23 -2,-0.3 2,-0.1 -3,-0.1 574,-0.1 -0.472 56.6-121.6 -64.4 122.2 34.1 47.9 110.5 22 21 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.354 20.8-126.5 -67.4 142.0 34.2 51.6 109.5 23 22 A K > - 0 0 159 1,-0.2 3,-2.4 -2,-0.1 2,-0.0 -0.390 45.0 -71.6 -81.4 166.4 35.4 54.2 111.9 24 23 A K T 3 S+ 0 0 66 1,-0.3 651,-0.2 652,-0.1 652,-0.2 -0.342 125.3 21.3 -58.8 134.9 33.3 57.3 112.8 25 24 A G T 3 S+ 0 0 46 650,-1.3 -1,-0.3 1,-0.3 651,-0.2 0.259 100.8 119.2 89.0 -10.4 33.4 59.7 109.8 26 25 A A < - 0 0 33 -3,-2.4 651,-2.3 648,-0.2 2,-0.4 -0.484 45.9-162.2 -88.9 158.6 34.3 56.9 107.4 27 26 A S E +m 677 0C 31 649,-0.2 710,-0.4 -2,-0.2 2,-0.2 -0.971 18.9 166.9-141.8 122.0 32.3 55.7 104.4 28 27 A I E -m 678 0C 40 649,-3.0 651,-2.2 -2,-0.4 2,-0.3 -0.767 34.7-105.2-130.7 175.4 32.9 52.4 102.8 29 28 A H E +m 679 0C 61 -2,-0.2 2,-0.3 649,-0.2 651,-0.2 -0.797 40.4 172.3-102.3 144.9 31.4 49.9 100.3 30 29 A G - 0 0 5 649,-2.3 2,-0.5 -2,-0.3 651,-0.4 -0.908 28.7-119.1-144.5 173.2 29.8 46.7 101.5 31 30 A V E -I 17 0B 82 -14,-2.7 -14,-3.4 -2,-0.3 2,-1.4 -0.976 7.8-149.8-123.3 124.2 27.8 43.8 100.3 32 31 A K E +I 16 0B 76 -2,-0.5 -16,-0.2 -16,-0.2 3,-0.1 -0.775 30.0 172.1 -88.1 92.2 24.4 42.9 101.6 33 32 A V E - 0 0 84 -2,-1.4 2,-0.3 -18,-1.4 -1,-0.2 0.881 50.5 -7.3 -75.6 -39.4 24.9 39.2 101.0 34 33 A S E -I 15 0B 34 -19,-1.4 -19,-2.9 -3,-0.2 2,-0.3 -0.995 45.8-152.6-158.8 161.8 21.8 37.7 102.7 35 34 A Q E +I 14 0B 25 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.993 16.9 178.9-136.0 140.6 18.6 38.1 104.7 36 35 A D E -I 13 0B 31 -23,-1.8 -23,-3.5 -2,-0.3 2,-0.3 -0.986 36.8-105.8-141.1 147.9 16.9 35.6 106.9 37 36 A I E +I 12 0B 3 -2,-0.3 235,-0.5 -25,-0.2 -25,-0.3 -0.607 55.5 165.6 -71.7 131.7 13.8 35.7 109.2 38 37 A G E +I 11 0B 0 -27,-2.2 -27,-2.3 -2,-0.3 4,-0.2 -0.561 18.9 114.2-132.6-162.5 15.1 35.8 112.7 39 38 A G > - 0 0 10 -29,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.290 63.2-109.2 101.4 130.0 14.1 36.4 116.3 40 39 A K H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.880 118.2 53.0 -58.9 -39.0 13.9 33.9 119.2 41 40 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.964 113.7 40.7 -60.8 -52.6 10.2 34.0 119.2 42 41 A A H > S+ 0 0 0 -33,-1.5 4,-3.0 -4,-0.2 5,-0.3 0.916 114.4 52.2 -63.6 -45.1 9.8 33.3 115.5 43 42 A N H X S+ 0 0 6 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.944 113.9 43.4 -57.6 -49.3 12.6 30.6 115.4 44 43 A Q H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.927 115.9 47.3 -63.9 -44.0 11.0 28.7 118.3 45 44 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.907 112.9 49.3 -63.9 -42.9 7.5 29.0 117.0 46 45 A I H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.921 111.7 46.7 -63.8 -45.7 8.5 28.0 113.4 47 46 A I H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.903 111.2 53.1 -65.7 -37.4 10.4 24.9 114.5 48 47 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.0 -5,-0.2 3,-0.5 0.916 109.4 48.8 -61.8 -42.3 7.6 23.9 116.8 49 48 A S H ><5S+ 0 0 6 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.848 106.5 56.6 -67.2 -33.3 5.2 24.1 113.9 50 49 A R H 3<5S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.765 100.8 58.4 -68.5 -24.3 7.5 22.0 111.8 51 50 A C T <<5S- 0 0 14 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.459 127.0-101.7 -81.6 -3.4 7.3 19.3 114.4 52 51 A G T < 5S+ 0 0 61 -3,-1.3 2,-0.5 1,-0.3 -3,-0.2 0.620 77.1 139.5 93.3 13.0 3.6 19.2 113.8 53 52 A I < - 0 0 10 -5,-2.0 2,-0.7 -50,-0.0 -1,-0.3 -0.800 61.3-118.1 -91.1 127.7 2.6 21.2 116.9 54 53 A E - 0 0 114 -2,-0.5 -50,-2.3 -52,-0.4 2,-0.4 -0.554 48.1-177.5 -67.2 112.1 -0.3 23.6 116.1 55 54 A T E -a 4 0A 8 -2,-0.7 25,-1.4 23,-0.4 2,-0.5 -0.929 25.6-160.6-123.5 140.5 1.5 26.9 116.9 56 55 A R E -ac 5 80A 31 -52,-2.6 -50,-3.2 -2,-0.4 2,-0.6 -0.971 10.3-155.0-118.2 122.8 0.5 30.5 116.9 57 56 A L E -ac 6 81A 0 23,-3.0 25,-3.3 -2,-0.5 2,-0.8 -0.890 5.5-166.4-100.7 118.6 3.2 33.2 116.7 58 57 A I E +ac 7 82A 0 -52,-3.5 -50,-1.6 -2,-0.6 2,-0.3 -0.891 35.1 131.1-106.6 100.2 2.1 36.5 118.2 59 58 A A - 0 0 1 23,-1.8 2,-0.3 -2,-0.8 -50,-0.2 -0.987 50.4-113.7-150.2 154.1 4.6 39.0 117.1 60 59 A A - 0 0 6 -52,-0.4 -50,-0.4 -2,-0.3 2,-0.3 -0.709 22.7-174.3 -98.7 143.4 4.7 42.5 115.6 61 60 A T - 0 0 5 -2,-0.3 26,-2.7 22,-0.1 2,-0.1 -0.876 18.3-131.7-125.1 158.4 5.9 43.6 112.1 62 61 A G - 0 0 0 -2,-0.3 26,-0.3 24,-0.2 2,-0.3 -0.387 25.9 -97.9-105.7-175.1 6.2 47.1 110.8 63 62 A N S S+ 0 0 87 -2,-0.1 2,-0.2 4,-0.1 25,-0.1 -0.215 86.3 95.1 -98.4 44.3 5.3 49.0 107.6 64 63 A D S > S- 0 0 22 -2,-0.3 4,-1.9 1,-0.0 5,-0.2 -0.592 92.5 -86.4-120.5-176.3 8.7 48.9 105.9 65 64 A S H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.890 126.7 52.5 -61.0 -41.4 10.4 46.6 103.3 66 65 A N H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.849 107.3 55.8 -63.9 -31.2 11.6 44.2 106.0 67 66 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.937 107.6 44.9 -65.7 -48.5 8.0 44.0 107.3 68 67 A A H X S+ 0 0 52 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.903 113.2 53.1 -62.2 -40.2 6.5 42.9 103.9 69 68 A W H X S+ 0 0 40 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.913 109.1 48.5 -61.3 -45.2 9.4 40.5 103.5 70 69 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.969 111.7 48.6 -58.9 -54.4 8.7 38.9 106.9 71 70 A R H < S+ 0 0 58 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.796 116.0 45.6 -58.1 -28.8 5.0 38.6 106.2 72 71 A Q H >< S+ 0 0 72 -4,-1.8 3,-0.9 -5,-0.2 4,-0.2 0.949 114.5 44.5 -79.3 -50.8 5.7 37.0 102.8 73 72 A Q H >< S+ 0 0 8 -4,-3.2 3,-1.4 1,-0.2 -2,-0.2 0.793 104.7 62.9 -64.4 -31.2 8.4 34.6 103.9 74 73 A I G >< S+ 0 0 10 -4,-2.7 3,-2.0 1,-0.3 5,-0.4 0.765 87.3 73.5 -67.7 -23.3 6.5 33.4 107.0 75 74 A K G < S+ 0 0 172 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.684 85.3 66.3 -63.5 -18.1 3.8 32.1 104.7 76 75 A N G < S+ 0 0 62 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.604 91.7 77.5 -78.7 -11.0 6.2 29.2 103.7 77 76 A E S < S- 0 0 18 -3,-2.0 2,-1.6 -4,-0.2 -31,-0.0 -0.783 88.4-120.3-103.8 146.2 6.0 27.9 107.3 78 77 A P S S+ 0 0 83 0, 0.0 -23,-0.4 0, 0.0 2,-0.3 -0.061 82.2 104.9 -72.9 38.5 3.1 25.8 108.8 79 78 A L - 0 0 21 -2,-1.6 2,-0.5 -5,-0.4 -23,-0.2 -0.806 69.4-128.4-120.3 158.2 2.6 28.5 111.4 80 79 A X E -c 56 0A 101 -25,-1.4 -23,-3.0 -2,-0.3 2,-0.6 -0.930 19.7-153.2-108.9 127.8 0.0 31.2 111.9 81 80 A L E -c 57 0A 19 -2,-0.5 -23,-0.2 -25,-0.2 -25,-0.0 -0.909 23.6-126.0-105.5 118.6 1.4 34.8 112.4 82 81 A L E S+c 58 0A 20 -25,-3.3 -23,-1.8 -2,-0.6 2,-0.1 -0.918 75.1 27.4-121.9 146.2 -0.8 37.1 114.4 83 82 A P S S- 0 0 24 0, 0.0 -22,-0.1 0, 0.0 -24,-0.1 0.615 77.9-139.9 -86.0 168.0 -1.9 39.7 114.1 84 83 A D S S+ 0 0 135 -2,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.284 73.4 29.6 -76.4 171.8 -2.3 40.2 110.3 85 84 A G S S- 0 0 38 -2,-0.0 2,-0.3 -3,-0.0 -24,-0.1 -0.539 91.1-112.9 76.9-143.5 -1.4 43.5 108.8 86 85 A H - 0 0 92 -2,-0.2 -24,-0.2 -26,-0.1 2,-0.1 -0.986 9.0-127.2-174.0 179.6 1.2 45.5 110.7 87 86 A F - 0 0 56 -26,-2.7 2,-0.3 -2,-0.3 -25,-0.1 0.022 48.7 -81.2-115.7-134.9 2.3 48.4 112.8 88 87 A N S S+ 0 0 101 -26,-0.3 2,-0.6 -2,-0.1 -26,-0.0 -0.989 85.3 25.4-143.2 147.7 5.2 50.7 111.9 89 88 A Q S S- 0 0 104 -2,-0.3 -27,-0.1 1,-0.1 -22,-0.1 -0.616 77.2-128.3 107.9 -80.4 9.0 50.7 112.3 90 89 A H - 0 0 2 -2,-0.6 -1,-0.1 20,-0.1 -78,-0.1 0.973 3.4-117.1 99.0 95.0 10.5 47.2 112.5 91 90 A S + 0 0 3 -31,-0.2 -79,-0.6 -81,-0.2 2,-0.3 -0.171 49.1 127.5 -59.5 134.1 12.9 44.7 114.3 92 91 A D E -jK 12 109B 0 17,-0.5 17,-2.4 -81,-0.3 2,-0.4 -0.953 43.4-125.5-177.1 161.4 16.0 43.3 112.7 93 92 A T E -jK 13 108B 11 -81,-1.7 -79,-3.3 -2,-0.3 2,-0.7 -0.973 9.5-143.9-127.1 136.9 19.7 42.9 113.1 94 93 A S E -jK 14 107B 6 13,-2.7 13,-1.9 -2,-0.4 2,-0.9 -0.899 16.6-156.8 -98.7 114.9 22.6 43.9 110.9 95 94 A I E -jK 15 106B 27 -81,-3.9 -79,-3.0 -2,-0.7 2,-0.9 -0.835 6.6-153.8 -97.8 100.5 25.3 41.3 111.1 96 95 A I E -jK 16 105B 10 9,-2.9 9,-1.8 -2,-0.9 2,-0.8 -0.663 9.4-167.8 -79.7 102.6 28.5 43.0 110.1 97 96 A L E -j 17 0B 68 -81,-3.7 -79,-2.5 -2,-0.9 7,-0.1 -0.827 10.5-162.6 -97.0 108.4 30.8 40.3 108.7 98 97 A N - 0 0 10 -2,-0.8 -78,-0.2 5,-0.2 6,-0.0 -0.256 14.1-126.8 -84.7 172.4 34.4 41.6 108.4 99 98 A S S S- 0 0 83 -80,-1.7 -1,-0.1 -81,-0.3 -79,-0.1 0.738 92.9 -0.9 -84.0-111.8 37.4 40.3 106.4 100 99 A A S S+ 0 0 102 -81,-0.3 -80,-0.1 -80,-0.0 -2,-0.1 0.824 114.0 104.3 -50.2 -31.3 40.7 39.7 108.1 101 100 A D S S- 0 0 46 -82,-0.6 -3,-0.0 1,-0.1 3,-0.0 -0.166 72.7-134.3 -52.2 143.9 38.8 40.9 111.2 102 101 A G + 0 0 45 493,-0.0 -4,-0.2 -5,-0.0 494,-0.1 0.834 67.1 19.4 -67.8-110.4 37.8 38.2 113.5 103 102 A D S S- 0 0 105 492,-0.2 -5,-0.2 1,-0.1 493,-0.2 -0.031 80.6-103.4 -63.0 162.2 34.2 38.1 114.9 104 103 A N - 0 0 61 491,-0.2 492,-0.9 492,-0.2 2,-0.4 -0.439 24.5-132.2 -83.5 160.8 31.2 39.8 113.5 105 104 A A E -K 96 0B 0 -9,-1.8 -9,-2.9 491,-0.2 2,-0.4 -0.927 22.0-154.8-112.7 138.0 29.7 42.9 115.0 106 105 A I E -Kl 95 598B 43 491,-3.2 493,-3.8 -2,-0.4 2,-0.5 -0.957 13.8-173.5-122.6 134.8 25.9 43.0 115.5 107 106 A I E -Kl 94 599B 0 -13,-1.9 -13,-2.7 -2,-0.4 2,-0.4 -0.994 15.4-171.8-122.9 126.6 23.5 45.9 115.7 108 107 A T E -Kl 93 600B 44 491,-2.6 493,-2.7 -2,-0.5 2,-0.3 -0.961 12.6-157.4-127.7 140.3 19.9 45.1 116.7 109 108 A T E +K 92 0B 4 -17,-2.4 -17,-0.5 -2,-0.4 493,-0.2 -0.824 10.3 178.1-110.0 152.6 16.6 47.1 116.7 110 109 A T > + 0 0 40 491,-0.5 4,-2.8 -2,-0.3 5,-0.3 0.192 38.3 123.1-139.6 16.4 13.6 46.2 118.9 111 110 A A H > S+ 0 0 22 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.835 76.3 51.4 -51.1 -42.9 11.1 49.0 118.2 112 111 A A H > S+ 0 0 7 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.926 115.1 41.4 -64.0 -44.6 8.3 46.6 117.1 113 112 A A H 4 S+ 0 0 6 -3,-0.2 3,-0.4 1,-0.2 -2,-0.2 0.922 111.8 54.6 -69.0 -44.6 8.5 44.4 120.1 114 113 A D H < S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 115.8 40.0 -59.7 -27.9 9.0 47.2 122.6 115 114 A T H < S+ 0 0 113 -4,-1.3 2,-0.4 -5,-0.3 -1,-0.2 0.617 83.2 111.3 -97.3 -17.4 5.7 48.8 121.3 116 115 A F < - 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0 0 13 -5,-2.0 2,-0.6 -6,-0.2 -1,-0.3 -0.741 59.9-116.7 -88.6 129.5 21.3 73.8 86.2 625 53 C E + 0 0 97 -52,-0.5 -50,-2.6 -2,-0.5 2,-0.4 -0.521 50.5 178.3 -66.0 113.2 20.4 71.5 83.3 626 54 C T E -h 575 0H 5 -2,-0.6 25,-1.7 23,-0.4 2,-0.5 -0.944 28.5-166.0-129.0 143.2 21.4 68.2 84.8 627 55 C R E -hj 576 651H 40 -52,-2.5 -50,-3.1 -2,-0.4 2,-0.6 -0.987 11.6-156.3-125.6 122.1 21.3 64.5 83.8 628 56 C L E -hj 577 652H 0 23,-2.9 25,-3.0 -2,-0.5 2,-0.7 -0.883 2.7-163.9 -99.6 124.8 21.9 61.8 86.3 629 57 C I E +hj 578 653H 0 -52,-3.5 -50,-1.6 -2,-0.6 2,-0.3 -0.926 37.3 129.7-109.7 104.5 23.1 58.5 84.9 630 58 C A - 0 0 2 23,-2.0 2,-0.4 -2,-0.7 -50,-0.2 -0.988 51.7-111.7-154.7 156.7 22.6 55.9 87.6 631 59 C A - 0 0 2 -52,-0.4 32,-0.4 -2,-0.3 -50,-0.4 -0.761 22.3-170.3-101.3 137.8 21.1 52.5 88.1 632 60 C T - 0 0 4 -2,-0.4 26,-2.6 24,-0.3 2,-0.1 -0.844 20.3-125.3-117.0 156.8 17.9 51.5 90.1 633 61 C G B -p 658 0I 0 -2,-0.3 28,-0.2 24,-0.2 26,-0.2 -0.328 21.6-107.6 -96.2-179.5 16.8 48.0 90.9 634 62 C N S S+ 0 0 63 26,-1.9 2,-0.2 24,-0.5 27,-0.1 -0.134 84.8 97.3-101.6 39.3 13.6 46.0 90.3 635 63 C D S > S- 0 0 33 25,-0.2 4,-1.9 1,-0.0 5,-0.2 -0.544 93.9 -89.7-113.6-179.6 12.5 46.1 94.0 636 64 C S H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.864 127.3 55.2 -61.3 -35.6 10.1 48.3 96.0 637 65 C N H > S+ 0 0 23 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.925 106.0 52.6 -63.0 -41.8 13.0 50.6 96.8 638 66 C G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.910 109.4 47.3 -59.4 -45.6 13.7 51.0 93.1 639 67 C A H X S+ 0 0 49 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.884 113.2 49.9 -63.7 -38.4 10.0 51.9 92.3 640 68 C W H X S+ 0 0 73 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.948 110.3 49.7 -65.4 -47.8 10.1 54.4 95.2 641 69 C I H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.944 112.2 47.2 -55.2 -52.2 13.4 56.0 94.0 642 70 C R H X S+ 0 0 61 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.846 111.7 51.6 -61.0 -34.1 12.0 56.4 90.5 643 71 C Q H X S+ 0 0 130 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.940 112.3 45.2 -68.0 -47.6 8.8 57.9 91.8 644 72 C Q H >< S+ 0 0 55 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.940 110.0 53.6 -60.4 -50.9 10.6 60.4 94.0 645 73 C I H >< S+ 0 0 6 -4,-2.8 3,-2.3 1,-0.3 5,-0.4 0.818 96.2 69.0 -55.7 -31.7 13.0 61.5 91.2 646 74 C K H 3< S+ 0 0 179 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.794 93.4 58.0 -59.9 -26.4 10.1 62.1 88.9 647 75 C N T << S+ 0 0 122 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.428 95.0 85.0 -83.4 1.1 9.2 65.1 91.1 648 76 C E S < S- 0 0 29 -3,-2.3 2,-0.5 -4,-0.2 -31,-0.0 -0.789 85.6-121.9-106.1 149.9 12.6 66.7 90.5 649 77 C P S S+ 0 0 83 0, 0.0 -23,-0.4 0, 0.0 2,-0.3 0.037 82.8 104.6 -75.8 29.6 13.7 68.9 87.6 650 78 C L S S- 0 0 17 -2,-0.5 2,-0.6 -5,-0.4 -23,-0.2 -0.792 71.1-128.9-111.1 152.6 16.4 66.3 86.8 651 79 C X E -j 627 0H 88 -25,-1.7 -23,-2.9 -2,-0.3 2,-0.5 -0.914 21.3-156.7-102.7 122.2 16.5 63.7 84.0 652 80 C L E -j 628 0H 27 -2,-0.6 -23,-0.2 -25,-0.2 -25,-0.0 -0.874 20.8-125.6-100.5 127.8 17.3 60.2 85.3 653 81 C L E S+j 629 0H 21 -25,-3.0 -23,-2.0 -2,-0.5 2,-0.1 -0.971 77.0 31.7-128.1 142.6 18.8 57.8 82.8 654 82 C P - 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0 0 90 1,-0.1 -649,-0.3 -5,-0.1 -4,-0.3 -0.248 63.6 -90.9 -73.4 161.9 30.4 61.7 112.9 675 103 C N - 0 0 11 -651,-0.2 -650,-1.3 -650,-0.1 2,-0.4 -0.313 30.6-142.3 -70.8 153.5 28.3 59.1 111.1 676 104 C A E - P 0 668C 0 -8,-2.1 -8,-3.4 -652,-0.2 2,-0.4 -0.947 19.5-156.2-115.8 139.3 29.8 56.0 109.6 677 105 C I E -mP 27 667C 47 -651,-2.3 -649,-3.0 -2,-0.4 2,-0.4 -0.964 17.4-173.4-127.4 139.6 28.4 54.8 106.2 678 106 C I E -mP 28 666C 2 -12,-2.1 -12,-2.8 -2,-0.4 2,-0.4 -0.997 16.3-173.9-126.2 122.6 28.2 51.4 104.4 679 107 C T E -mP 29 665C 10 -651,-2.2 -649,-2.3 -2,-0.4 -14,-0.2 -0.961 16.8-137.3-124.3 136.8 26.9 51.5 100.9 680 108 C T - 0 0 11 -16,-2.5 -649,-0.1 -2,-0.4 4,-0.1 -0.461 11.4-171.1 -83.5 163.0 26.1 48.6 98.5 681 109 C T > + 0 0 22 -651,-0.4 4,-3.3 -2,-0.1 5,-0.2 0.276 49.1 113.6-138.0 7.5 27.1 48.8 94.8 682 110 C A H > S+ 0 0 37 1,-0.2 4,-0.8 2,-0.2 -20,-0.1 0.841 84.9 44.1 -53.3 -38.5 25.4 45.8 93.1 683 111 C A H >> S+ 0 0 0 2,-0.2 4,-1.0 -22,-0.2 3,-0.8 0.953 115.9 45.3 -72.7 -50.2 23.1 48.0 91.1 684 112 C A H >4 S+ 0 0 3 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.903 109.7 57.2 -58.5 -42.1 25.8 50.5 90.0 685 113 C D H 3< S+ 0 0 96 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.764 102.4 55.0 -60.8 -27.8 28.1 47.6 89.2 686 114 C T H << S+ 0 0 56 -4,-0.8 2,-1.6 -3,-0.8 -1,-0.2 0.764 87.2 84.8 -76.9 -27.0 25.6 46.1 86.8 687 115 C F S << S- 0 0 3 -4,-1.0 -1,-0.1 -3,-0.8 5,-0.1 -0.615 79.8-152.4 -80.0 88.2 25.4 49.4 84.8 688 116 C S >> - 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0 0 43 -12,-0.2 4,-1.6 -3,-0.1 3,-0.8 -0.796 49.4 -79.1-136.2 179.4 -9.4 68.6 53.8 1110 251 D A H 3> S+ 0 0 46 1,-0.3 4,-1.5 -2,-0.2 5,-0.1 0.834 125.4 51.1 -50.2 -42.7 -6.0 70.1 54.7 1111 252 D L H 3> S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.835 104.9 56.7 -68.0 -32.3 -7.1 71.1 58.2 1112 253 D A H <> S+ 0 0 0 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.908 107.5 48.9 -65.4 -39.7 -8.4 67.6 58.9 1113 254 D L H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.861 108.9 53.7 -67.0 -34.9 -4.9 66.2 58.1 1114 255 D A H X S+ 0 0 19 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.911 110.3 46.3 -65.1 -43.6 -3.4 68.8 60.4 1115 256 D H H X S+ 0 0 15 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.916 111.1 52.4 -64.0 -45.4 -5.6 67.7 63.3 1116 257 D A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.876 106.1 54.7 -59.4 -38.5 -4.8 64.1 62.6 1117 258 D S H X S+ 0 0 7 -4,-2.1 4,-2.1 2,-0.2 -38,-0.3 0.921 106.4 50.8 -62.7 -43.8 -1.1 64.8 62.7 1118 259 D R H X S+ 0 0 124 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.927 114.0 44.3 -59.0 -47.0 -1.3 66.4 66.1 1119 260 D A H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.6 0.925 110.6 52.9 -65.6 -46.1 -3.2 63.4 67.5 1120 261 D A H 3X S+ 0 0 14 -4,-2.8 4,-2.5 1,-0.3 5,-0.2 0.877 103.8 59.4 -57.5 -37.2 -0.9 60.8 65.9 1121 262 D A H 3X S+ 0 0 13 -4,-2.1 4,-1.3 1,-0.2 -1,-0.3 0.863 103.2 51.5 -59.7 -37.3 2.0 62.6 67.5 1122 263 D I H << S+ 0 0 31 -4,-1.1 4,-0.4 -3,-0.6 3,-0.2 0.936 109.9 49.4 -65.6 -44.8 0.5 61.9 70.9 1123 264 D T H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.909 109.3 50.5 -61.2 -44.6 0.1 58.2 70.1 1124 265 D V H 3< S+ 0 0 22 -4,-2.5 -40,-2.8 1,-0.3 -39,-2.1 0.789 106.1 57.6 -66.1 -25.8 3.7 57.8 68.9 1125 266 D S T 3< S+ 0 0 44 -4,-1.3 2,-0.3 -42,-0.3 -1,-0.3 0.531 104.4 62.6 -82.5 -4.7 5.0 59.5 72.1 1126 267 D R S < S- 0 0 87 -3,-1.4 -41,-0.3 -4,-0.4 2,-0.2 -0.840 81.0-115.1-122.3 158.9 3.3 56.9 74.3 1127 268 D R S S+ 0 0 148 -2,-0.3 2,-0.2 4,-0.1 -42,-0.1 -0.621 70.9 19.1 -92.9 149.9 3.6 53.2 74.8 1128 269 D G S S- 0 0 2 -2,-0.2 -2,-0.1 3,-0.1 -41,-0.1 -0.523 79.9 -92.9 96.2-165.3 1.0 50.5 74.1 1129 270 D T S >> S+ 0 0 1 -2,-0.2 3,-1.7 -258,-0.1 4,-0.9 0.547 110.1 16.5-114.7 -90.6 -2.1 50.6 71.9 1130 271 D L G >4 S+ 0 0 11 -235,-1.7 3,-1.2 1,-0.3 -234,-0.1 0.917 129.3 53.1 -52.5 -46.2 -5.3 51.6 73.6 1131 272 D S G 34 S+ 0 0 81 1,-0.3 -1,-0.3 -236,-0.2 -4,-0.1 0.643 106.3 55.6 -66.8 -13.3 -3.3 53.0 76.6 1132 273 D A G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 -6,-0.1 -2,-0.2 0.644 84.7 102.9 -93.8 -15.0 -1.3 55.1 74.1 1133 274 D F S << S- 0 0 5 -3,-1.2 -13,-0.1 -4,-0.9 -4,-0.0 -0.325 77.9-104.7 -71.8 149.2 -4.2 56.9 72.5 1134 275 D P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.355 38.2-115.4 -69.6 152.4 -5.1 60.5 73.3 1135 276 D G > - 0 0 13 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.420 26.2-102.1 -87.7 165.1 -8.2 61.2 75.5 1136 277 D S H > S+ 0 0 67 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.883 122.6 60.3 -46.1 -43.4 -11.4 63.0 74.6 1137 278 D R H > S+ 0 0 196 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.957 107.4 37.6 -46.3 -71.8 -9.9 65.8 76.5 1138 279 D E H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.847 116.1 57.2 -56.4 -36.1 -6.8 66.3 74.4 1139 280 D L H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 -1,-0.2 0.923 103.8 49.9 -63.7 -47.1 -8.8 65.6 71.2 1140 281 D A H X S+ 0 0 60 -4,-3.0 4,-0.7 2,-0.2 -2,-0.2 0.944 115.1 43.4 -57.8 -50.3 -11.4 68.3 71.8 1141 282 D A H >< S+ 0 0 72 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.938 116.0 50.1 -59.4 -46.5 -8.8 71.0 72.4 1142 283 D L H 3< S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.898 106.5 54.2 -57.2 -46.8 -6.9 69.6 69.4 1143 284 D L H 3< 0 0 22 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.579 360.0 360.0 -69.0 -10.0 -9.9 69.6 67.2 1144 285 D T << 0 0 150 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.990 360.0 360.0 -70.6 360.0 -10.5 73.3 67.9