==== 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 01-JUL-09 3I3Y . 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 . 1137 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 816 71.8 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 . 99 8.7 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 . 1 0.1 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 . 108 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 1 1 4 3 1 3 5 1 2 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 8 11 7 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 9 3 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 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 -1 A L 0 0 139 0, 0.0 52,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 124.4 -2.1 21.4 122.3 2 2 A R - 0 0 74 126,-0.1 130,-3.0 50,-0.1 2,-0.5 -0.747 360.0-140.9-107.0 154.9 -1.2 24.7 120.6 3 3 A V E -ab 54 132A 1 50,-2.7 52,-2.7 -2,-0.3 2,-0.6 -0.957 8.7-166.6-119.3 126.7 1.9 26.9 121.0 4 4 A Y E -ab 55 133A 0 128,-2.9 130,-2.5 -2,-0.5 2,-0.8 -0.956 8.6-161.3-109.4 117.9 1.7 30.7 121.0 5 5 A V E -ab 56 134A 0 50,-3.3 52,-2.7 -2,-0.6 2,-0.9 -0.868 2.4-166.6-108.5 104.1 5.1 32.3 120.6 6 6 A T E +ab 57 135A 0 128,-1.7 130,-0.7 -2,-0.8 2,-0.2 -0.776 47.4 86.2 -89.0 102.2 5.1 35.9 121.8 7 7 A G - 0 0 1 50,-1.6 52,-0.4 -2,-0.9 2,-0.2 -0.716 69.6 -56.1-162.8-146.3 8.3 37.4 120.5 8 8 A N - 0 0 20 -2,-0.2 33,-1.5 50,-0.2 2,-0.4 -0.690 23.5-152.8-117.5 169.8 10.1 39.1 117.6 9 9 A I - 0 0 0 50,-0.4 29,-0.3 -2,-0.2 2,-0.2 -0.992 23.9-175.2-140.6 136.2 10.9 38.5 113.9 10 10 A T E -I 37 0B 6 27,-2.6 27,-2.2 -2,-0.4 2,-0.5 -0.796 29.9-135.1-133.2 168.9 14.0 39.9 112.3 11 11 A V E -I 36 0B 0 79,-0.3 81,-2.1 25,-0.3 2,-0.7 -0.993 24.7-161.2-122.1 115.5 15.9 40.4 109.0 12 12 A D E -Ij 35 92B 24 23,-3.6 23,-2.4 -2,-0.5 2,-0.5 -0.898 7.5-165.6-104.0 115.1 19.6 39.7 109.5 13 13 A E E -Ij 34 93B 5 79,-2.7 81,-3.5 -2,-0.7 2,-0.6 -0.858 8.4-150.7-104.0 129.7 21.7 41.2 106.8 14 14 A T E -Ij 33 94B 20 19,-2.7 19,-1.4 -2,-0.5 18,-0.9 -0.874 13.9-170.2-101.1 122.6 25.3 40.2 106.3 15 15 A W E -Ij 31 95B 3 79,-2.0 81,-2.0 -2,-0.6 2,-0.6 -0.945 11.9-147.8-114.2 131.9 27.5 42.9 104.7 16 16 A S E +Ij 30 96B 52 14,-3.6 14,-2.4 -2,-0.5 81,-0.2 -0.875 26.0 166.8-101.3 117.6 31.0 42.3 103.6 17 17 A I - 0 0 4 79,-1.5 3,-0.1 -2,-0.6 12,-0.1 -0.912 47.1-119.1-127.2 156.1 33.4 45.2 103.9 18 18 A P S S- 0 0 90 0, 0.0 80,-0.7 0, 0.0 82,-0.3 0.844 93.4 -31.1 -60.7 -30.4 37.2 45.4 103.7 19 19 A D S S- 0 0 72 78,-0.2 77,-0.1 79,-0.1 8,-0.0 -0.901 81.0 -72.7 178.5 153.5 37.2 46.6 107.3 20 20 A I - 0 0 27 -2,-0.3 574,-0.1 -3,-0.1 571,-0.0 -0.429 56.8-120.5 -62.5 121.3 35.0 48.6 109.7 21 21 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.211 19.6-122.3 -62.4 150.3 35.2 52.3 108.7 22 22 A K > - 0 0 177 652,-0.0 3,-1.1 1,-0.0 0, 0.0 -0.417 46.2 -81.9 -83.2 171.6 36.4 54.8 111.3 23 23 A K T 3 S+ 0 0 54 1,-0.2 644,-0.1 -2,-0.1 646,-0.1 0.866 126.0 32.7 -42.5 -58.7 34.1 57.6 112.1 24 24 A G T 3 S+ 0 0 52 651,-0.1 -1,-0.2 2,-0.0 650,-0.1 0.578 97.3 107.6 -81.9 -5.7 34.7 60.0 109.2 25 25 A A < - 0 0 40 -3,-1.1 651,-1.4 648,-0.1 2,-0.3 -0.120 52.0-154.5 -69.7 165.1 35.4 57.3 106.5 26 26 A S E +m 676 0C 27 649,-0.2 710,-0.3 710,-0.1 2,-0.2 -0.907 23.9 173.6-142.8 109.6 33.2 56.3 103.6 27 27 A I E -m 677 0C 36 649,-2.4 651,-2.4 -2,-0.3 2,-0.3 -0.726 31.3-111.4-120.8 167.4 33.7 52.8 102.2 28 28 A H E +m 678 0C 64 -2,-0.2 2,-0.3 649,-0.2 651,-0.2 -0.669 36.6 178.7 -92.6 149.0 32.2 50.3 99.7 29 29 A G - 0 0 4 649,-1.9 2,-0.5 -2,-0.3 651,-0.4 -0.935 24.0-129.8-144.8 166.6 30.6 47.2 101.0 30 30 A V E -I 16 0B 86 -14,-2.4 -14,-3.6 -2,-0.3 2,-1.5 -0.984 10.9-144.3-126.0 123.2 28.8 44.1 99.6 31 31 A K E +I 15 0B 82 -2,-0.5 -16,-0.2 -16,-0.2 3,-0.1 -0.693 33.1 165.5 -85.6 89.7 25.4 43.0 100.8 32 32 A V E + 0 0 93 -2,-1.5 2,-0.3 -18,-0.9 -1,-0.2 0.889 51.8 15.1 -75.3 -47.2 26.0 39.2 100.5 33 33 A S E -I 14 0B 18 -19,-1.4 -19,-2.7 2,-0.0 2,-0.3 -0.923 46.8-171.6-137.0 164.3 23.2 37.6 102.6 34 34 A Q E +I 13 0B 35 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.945 16.0 171.9-152.3 121.8 19.9 38.2 104.2 35 35 A D E -I 12 0B 24 -23,-2.4 -23,-3.6 -2,-0.3 2,-0.4 -0.930 38.9-104.2-132.5 158.6 18.0 35.8 106.5 36 36 A I E +I 11 0B 2 -2,-0.3 235,-0.4 -25,-0.2 -25,-0.3 -0.687 52.1 172.5 -79.3 130.0 14.9 35.8 108.7 37 37 A G E +I 10 0B 0 -27,-2.2 -27,-2.6 -2,-0.4 4,-0.3 -0.506 22.5 110.2-125.3-164.6 16.1 36.1 112.3 38 38 A G > - 0 0 12 -29,-0.3 4,-3.0 -2,-0.2 5,-0.3 0.450 61.6-117.1 99.6 119.8 14.8 36.5 115.9 39 39 A K H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.833 115.6 56.0 -57.0 -30.1 14.7 33.8 118.5 40 40 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.970 112.6 36.9 -65.8 -54.9 10.9 34.2 118.5 41 41 A A H > S+ 0 0 0 -33,-1.5 4,-3.1 -4,-0.3 5,-0.2 0.893 116.4 54.4 -65.8 -40.4 10.4 33.5 114.8 42 42 A N H X S+ 0 0 8 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.966 113.7 41.1 -58.1 -52.4 13.2 30.9 114.7 43 43 A Q H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.937 116.6 47.9 -62.0 -49.0 11.6 28.9 117.5 44 44 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.908 112.1 51.4 -59.2 -43.0 8.1 29.3 116.3 45 45 A I H X S+ 0 0 0 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.897 111.2 45.5 -60.2 -45.3 9.1 28.3 112.8 46 46 A I H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.894 110.1 55.1 -68.9 -38.7 10.9 25.1 113.9 47 47 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-0.6 0.912 108.2 48.7 -59.3 -43.8 8.0 24.1 116.1 48 48 A S H ><5S+ 0 0 10 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.852 105.9 56.7 -68.0 -32.6 5.6 24.4 113.2 49 49 A R H 3<5S+ 0 0 11 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.761 100.5 60.0 -67.5 -23.5 7.9 22.3 111.0 50 50 A C T <<5S- 0 0 14 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.521 127.2-101.4 -79.2 -6.6 7.7 19.6 113.7 51 51 A G T < 5S+ 0 0 64 -3,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.632 75.6 143.7 95.5 15.4 4.0 19.5 113.2 52 52 A I < - 0 0 14 -5,-1.9 2,-0.6 -6,-0.2 -1,-0.3 -0.784 61.1-113.7 -92.5 126.8 3.0 21.6 116.2 53 53 A E - 0 0 100 -2,-0.5 -50,-2.7 -52,-0.4 2,-0.4 -0.442 53.1-177.1 -55.7 108.2 0.0 24.0 115.8 54 54 A T E -a 3 0A 8 -2,-0.6 25,-1.2 23,-0.3 2,-0.5 -0.937 26.5-172.1-124.9 138.5 2.0 27.2 116.1 55 55 A R E -ac 4 79A 25 -52,-2.7 -50,-3.3 -2,-0.4 2,-0.6 -0.972 10.2-157.8-128.0 117.4 1.2 30.8 116.2 56 56 A L E -ac 5 80A 0 23,-2.8 25,-3.3 -2,-0.5 2,-0.8 -0.841 3.8-163.7 -93.5 120.3 3.9 33.5 116.1 57 57 A I E +ac 6 81A 0 -52,-2.7 -50,-1.6 -2,-0.6 2,-0.3 -0.869 36.2 132.9-107.2 98.2 2.8 36.8 117.5 58 58 A A - 0 0 1 23,-2.4 2,-0.4 -2,-0.8 -50,-0.2 -0.979 49.7-116.8-144.8 155.2 5.4 39.3 116.4 59 59 A A - 0 0 5 -52,-0.4 -50,-0.4 -2,-0.3 2,-0.3 -0.759 21.9-174.7-101.7 141.3 5.4 42.8 114.8 60 60 A T - 0 0 5 -2,-0.4 26,-3.1 24,-0.2 2,-0.1 -0.955 19.6-133.3-126.7 146.5 6.7 43.8 111.4 61 61 A G - 0 0 1 -2,-0.3 2,-0.8 24,-0.2 26,-0.3 -0.216 27.3 -92.7 -93.6-174.6 6.9 47.4 110.1 62 62 A N S S+ 0 0 112 24,-0.2 2,-0.2 4,-0.1 25,-0.1 -0.424 87.6 93.0 -98.0 57.8 6.0 49.2 106.9 63 63 A D S > S- 0 0 26 -2,-0.8 4,-1.9 1,-0.0 5,-0.2 -0.681 92.2 -83.1-133.8-173.4 9.3 49.0 105.1 64 64 A S H > S+ 0 0 43 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.942 127.1 50.8 -61.2 -48.4 11.3 46.8 102.6 65 65 A N H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.779 108.2 55.5 -61.6 -25.3 12.4 44.4 105.3 66 66 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.936 107.3 45.1 -73.7 -46.9 8.8 44.1 106.5 67 67 A A H X S+ 0 0 42 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.867 113.5 52.9 -64.0 -36.9 7.3 43.1 103.2 68 68 A W H X S+ 0 0 31 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.920 109.8 46.8 -64.8 -45.5 10.2 40.6 102.8 69 69 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.963 112.4 49.6 -61.2 -51.3 9.5 39.0 106.2 70 70 A R H X S+ 0 0 108 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.881 115.0 47.3 -54.0 -36.5 5.8 38.8 105.5 71 71 A Q H < S+ 0 0 82 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.899 110.9 47.2 -73.9 -43.1 6.8 37.2 102.2 72 72 A Q H >< S+ 0 0 10 -4,-3.0 3,-1.4 1,-0.2 -2,-0.2 0.849 106.8 59.1 -68.2 -35.8 9.3 34.7 103.5 73 73 A I H >< S+ 0 0 9 -4,-2.5 3,-2.8 1,-0.3 5,-0.3 0.834 87.8 73.1 -63.6 -33.3 7.0 33.5 106.3 74 74 A K T 3< S+ 0 0 176 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.740 91.8 60.7 -53.7 -21.0 4.3 32.5 103.7 75 75 A N T < S+ 0 0 61 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.555 93.6 76.3 -83.4 -10.9 6.7 29.6 102.9 76 76 A E S < S- 0 0 19 -3,-2.8 -31,-0.0 -4,-0.2 -27,-0.0 -0.746 84.9-125.5-102.1 151.5 6.6 28.1 106.5 77 77 A P S S+ 0 0 86 0, 0.0 -23,-0.3 0, 0.0 2,-0.1 0.460 81.1 115.4 -71.4 3.4 3.6 26.2 108.0 78 78 A L - 0 0 11 -5,-0.3 2,-0.6 -25,-0.1 -2,-0.2 -0.400 64.7-137.9 -74.6 147.4 3.9 28.8 110.6 79 79 A X E -c 55 0A 96 -25,-1.2 -23,-2.8 -2,-0.1 2,-0.4 -0.945 18.1-155.0-110.5 121.7 1.1 31.3 111.2 80 80 A L E -c 56 0A 27 -2,-0.6 -23,-0.2 -25,-0.2 -25,-0.0 -0.830 15.9-126.5-102.4 133.7 2.2 34.9 111.9 81 81 A L E S+c 57 0A 21 -25,-3.3 -23,-2.4 -2,-0.4 2,-0.1 -0.970 73.4 35.9-134.5 149.1 0.1 37.4 113.8 82 82 A P S S- 0 0 24 0, 0.0 2,-0.2 0, 0.0 -22,-0.1 0.567 77.5-132.8 -80.5 170.7 -1.0 40.1 113.6 83 83 A D S S+ 0 0 143 -2,-0.1 2,-0.1 2,-0.1 -2,-0.1 -0.533 78.6 19.9 -77.8 147.8 -2.0 40.3 110.0 84 84 A G S S- 0 0 44 -2,-0.2 2,-0.3 -23,-0.0 -24,-0.2 -0.500 90.2-111.0 84.6-163.3 -0.9 43.6 108.4 85 85 A H - 0 0 70 -2,-0.1 -24,-0.2 1,-0.1 -23,-0.1 -0.865 10.3-132.0-156.9-173.8 1.9 45.5 109.9 86 86 A F - 0 0 49 -26,-3.1 2,-0.4 -2,-0.3 -24,-0.2 0.195 52.0 -54.3-119.3-121.7 3.2 48.6 111.8 87 87 A N S S- 0 0 130 -26,-0.3 -26,-0.1 1,-0.2 -28,-0.0 -0.935 89.0 -24.8-142.9 118.4 6.2 50.9 111.1 88 88 A Q S S- 0 0 50 -2,-0.4 -1,-0.2 1,-0.1 2,-0.2 0.941 75.7-152.0 48.2 103.0 9.9 50.2 110.6 89 89 A H - 0 0 0 1,-0.2 21,-0.1 21,-0.1 -78,-0.1 -0.555 16.0 -68.9-112.7 171.1 11.0 47.0 112.3 90 90 A S + 0 0 1 19,-0.3 -79,-0.3 -31,-0.2 2,-0.3 0.051 58.4 131.4 -47.9 140.1 13.6 44.9 114.0 91 91 A D E - K 0 108B 0 17,-1.0 17,-2.2 -81,-0.2 2,-0.4 -0.898 39.5-127.4 178.1 162.2 16.6 43.6 111.9 92 92 A T E -jK 12 107B 11 -81,-2.1 -79,-2.7 -2,-0.3 2,-0.6 -0.986 5.5-137.3-136.9 142.9 20.3 43.5 112.3 93 93 A S E -jK 13 106B 5 13,-2.5 13,-2.2 -2,-0.4 2,-0.8 -0.833 17.7-160.0 -93.6 122.5 23.4 44.5 110.3 94 94 A I E -jK 14 105B 27 -81,-3.5 -79,-2.0 -2,-0.6 2,-1.4 -0.854 7.5-154.2-106.8 96.3 26.1 41.8 110.6 95 95 A I E -jK 15 104B 13 9,-2.1 9,-1.6 -2,-0.8 2,-0.9 -0.541 10.6-169.7 -74.9 89.9 29.3 43.5 109.6 96 96 A L E -j 16 0B 68 -81,-2.0 -79,-1.5 -2,-1.4 7,-0.1 -0.705 11.8-166.4 -84.5 108.1 31.6 40.7 108.3 97 97 A N - 0 0 10 -2,-0.9 -78,-0.2 4,-0.3 6,-0.1 0.019 14.9-120.9 -81.4-169.3 35.1 42.1 107.9 98 98 A S S S- 0 0 83 -80,-0.7 -1,-0.1 4,-0.1 -79,-0.1 0.389 87.0 -6.7-102.0-129.0 38.2 40.7 106.1 99 99 A A S S+ 0 0 97 -81,-0.2 -80,-0.1 -80,-0.0 -2,-0.1 0.899 116.1 94.0 -31.1 -55.8 41.6 40.0 107.6 100 100 A D S S- 0 0 48 -82,-0.3 -3,-0.2 1,-0.1 -80,-0.0 -0.196 81.6-133.6 -46.9 113.8 40.0 41.5 110.7 101 101 A G + 0 0 53 493,-0.1 -4,-0.3 -5,-0.1 494,-0.1 0.883 61.2 29.4 -37.6-115.2 38.5 38.7 112.7 102 102 A D S S- 0 0 117 492,-0.2 2,-0.2 1,-0.1 -5,-0.2 -0.005 78.2 -98.9 -61.3 158.3 35.1 38.6 114.2 103 103 A N - 0 0 62 491,-0.2 492,-0.8 492,-0.2 2,-0.3 -0.521 24.0-142.9 -79.7 139.4 31.9 40.3 113.0 104 104 A A E -K 95 0B 1 -9,-1.6 -9,-2.1 490,-0.2 2,-0.4 -0.735 23.1-156.5 -95.4 149.7 30.6 43.5 114.5 105 105 A I E -Kl 94 597B 39 491,-2.2 493,-3.2 -2,-0.3 2,-0.4 -0.993 18.8-172.1-138.9 137.7 26.8 43.7 114.9 106 106 A I E -Kl 93 598B 5 -13,-2.2 -13,-2.5 -2,-0.4 2,-0.4 -0.992 16.4-174.5-123.3 129.2 24.2 46.4 115.1 107 107 A T E -Kl 92 599B 48 491,-2.4 493,-3.1 -2,-0.4 2,-0.3 -0.963 8.8-163.0-129.2 146.8 20.6 45.5 115.9 108 108 A T E +K 91 0B 2 -17,-2.2 -17,-1.0 -2,-0.4 493,-0.1 -0.861 12.0 172.1-122.9 158.7 17.4 47.4 116.1 109 109 A T + 0 0 29 491,-0.4 2,-3.7 -2,-0.3 -19,-0.3 0.339 30.8 129.2-125.2 -96.3 14.1 46.5 117.7 110 110 A A S > S+ 0 0 36 1,-0.2 4,-1.4 -21,-0.1 -21,-0.1 -0.151 76.5 63.9 67.3 -51.1 11.5 49.3 117.8 111 111 A A H > S+ 0 0 8 -2,-3.7 4,-0.7 2,-0.2 -1,-0.2 0.959 111.4 35.6 -66.6 -48.8 8.9 46.9 116.3 112 112 A A H >4 S+ 0 0 5 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.930 114.0 57.2 -68.9 -46.7 9.1 44.7 119.4 113 113 A D H 34 S+ 0 0 106 1,-0.3 -1,-0.2 26,-0.1 -2,-0.2 0.798 115.9 38.2 -53.8 -30.6 9.6 47.7 121.8 114 114 A T H 3< S+ 0 0 96 -4,-1.4 2,-1.9 -3,-0.1 -1,-0.3 0.504 83.1 107.1-101.4 -7.0 6.3 49.1 120.5 115 115 A F << - 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0 0 52 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.242 41.7-109.9 -65.7 161.5 23.2 32.4 85.4 426 141 B L H > S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.906 119.7 54.4 -59.4 -42.7 26.4 30.6 86.5 427 142 B D H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 113.5 39.9 -59.2 -44.7 26.1 32.3 89.9 428 143 B K H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.911 115.4 51.2 -72.0 -42.4 22.5 31.1 90.5 429 144 B T H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.917 113.2 45.1 -59.4 -47.8 23.2 27.6 89.0 430 145 B R H X S+ 0 0 82 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.914 112.9 50.0 -65.0 -44.9 26.3 27.1 91.2 431 146 B A H X S+ 0 0 23 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.846 110.0 52.1 -62.8 -34.9 24.6 28.4 94.3 432 147 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.919 111.4 45.8 -68.9 -40.4 21.6 26.0 93.7 433 148 B F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.859 111.0 53.9 -69.9 -33.2 24.0 23.1 93.4 434 149 B Q H X S+ 0 0 99 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.909 108.0 49.0 -67.3 -41.5 25.9 24.1 96.5 435 150 B Y H X S+ 0 0 19 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.943 110.4 51.3 -63.4 -45.1 22.7 24.2 98.6 436 151 B A H ><>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 3,-1.1 0.941 109.5 51.1 -53.2 -48.4 21.8 20.8 97.2 437 152 B R H ><5S+ 0 0 91 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.877 107.2 52.5 -56.9 -41.9 25.2 19.6 98.3 438 153 B S H 3<5S+ 0 0 59 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.683 107.7 53.2 -70.5 -17.5 24.7 21.0 101.8 439 154 B R T <<5S- 0 0 3 -4,-1.1 -1,-0.3 -3,-1.1 -23,-0.2 0.301 118.6-110.7 -97.9 6.1 21.4 19.1 102.0 440 155 B G T < 5 + 0 0 41 -3,-1.4 -25,-2.2 1,-0.2 -3,-0.2 0.756 66.3 156.3 70.6 25.0 23.1 15.8 101.1 441 156 B X < - 0 0 2 -5,-2.6 2,-0.4 -27,-0.2 -1,-0.2 -0.519 47.1-120.0 -86.3 151.1 21.3 15.8 97.8 442 157 B T E -t 417 0D 48 -26,-2.9 -24,-2.2 -2,-0.2 2,-0.4 -0.756 33.6-141.5 -86.3 133.9 22.4 14.0 94.6 443 158 B T E -t 418 0D 0 -2,-0.4 20,-2.1 -26,-0.2 19,-1.5 -0.825 17.1-170.7-106.3 136.9 23.0 16.5 91.8 444 159 B V E -tu 419 463D 0 -26,-2.6 -24,-2.4 -2,-0.4 2,-0.4 -0.989 8.0-166.5-126.1 129.3 22.1 16.0 88.1 445 160 B F E +tu 420 464D 0 18,-2.9 20,-2.6 -2,-0.4 -24,-0.2 -0.967 20.6 172.2-127.6 130.4 23.2 18.5 85.5 446 161 B N - 0 0 9 -26,-2.0 2,-2.3 -2,-0.4 -24,-0.3 -0.874 24.6-152.5-130.7 90.7 22.2 19.0 81.9 447 162 B P + 0 0 0 0, 0.0 4,-0.1 0, 0.0 -26,-0.1 -0.380 33.8 160.7 -68.2 67.5 23.9 22.2 80.7 448 163 B S + 0 0 25 -2,-2.3 -26,-1.6 1,-0.2 -25,-0.2 -0.961 65.0 39.9-143.2 121.0 21.4 23.3 78.0 449 164 B P S S- 0 0 70 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 0.381 110.9-130.1 -56.8 137.1 21.3 26.2 77.0 450 165 B V - 0 0 61 -2,-0.2 -2,-0.1 -27,-0.0 3,-0.1 -0.338 24.3-167.6 -70.4 147.5 25.0 25.8 77.3 451 166 B N > - 0 0 46 -4,-0.1 3,-2.9 1,-0.1 4,-0.2 -0.980 22.6-138.5-133.9 117.5 27.1 28.4 79.0 452 167 B P G > S+ 0 0 83 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.839 102.2 62.9 -47.8 -32.0 30.8 28.0 78.4 453 168 B D G > S+ 0 0 77 1,-0.3 3,-1.4 2,-0.1 4,-0.2 0.561 76.7 82.3 -72.6 -9.3 31.3 28.8 82.1 454 169 B F G X + 0 0 0 -3,-2.9 3,-0.9 1,-0.3 4,-0.3 0.519 69.4 89.7 -70.8 -1.7 29.5 25.7 83.3 455 170 B C G < S+ 0 0 39 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.576 83.0 53.6 -71.2 -7.8 32.8 24.0 82.7 456 171 B H G < S+ 0 0 118 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.567 92.0 71.8-100.1 -15.1 33.8 24.8 86.3 457 172 B L X + 0 0 1 -3,-0.9 3,-2.4 1,-0.2 4,-0.4 0.551 64.2 100.9 -80.5 -7.2 30.8 23.3 88.0 458 173 B W G > S+ 0 0 1 -4,-0.3 3,-2.0 1,-0.3 -1,-0.2 0.817 71.5 64.4 -50.1 -37.7 31.7 19.7 87.4 459 174 B P G 3 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.745 102.7 51.7 -58.1 -21.8 33.1 19.2 91.0 460 175 B L G < S+ 0 0 36 -3,-2.4 2,-0.3 -4,-0.1 -2,-0.2 0.466 96.8 90.1 -92.7 -3.2 29.5 19.8 92.2 461 176 B I < + 0 0 5 -3,-2.0 19,-0.4 -4,-0.4 3,-0.1 -0.764 40.6 176.2-105.0 141.2 27.9 17.2 89.9 462 177 B D S S+ 0 0 17 -19,-1.5 19,-2.1 -2,-0.3 2,-0.5 0.785 82.1 32.0-102.1 -42.9 27.2 13.5 90.4 463 178 B I E -uv 444 481D 13 -20,-2.1 -18,-2.9 17,-0.2 2,-0.4 -0.971 69.7-170.3-122.4 117.7 25.3 12.8 87.1 464 179 B A E -uv 445 482D 0 17,-3.1 19,-2.8 -2,-0.5 2,-0.4 -0.886 3.4-176.3-107.4 136.4 26.2 14.7 84.0 465 180 B V E + v 0 483D 4 -20,-2.6 2,-0.3 -2,-0.4 19,-0.2 -0.970 18.8 152.4-134.3 115.4 24.0 14.5 80.9 466 181 B V E - v 0 484D 0 17,-2.6 19,-3.1 -2,-0.4 2,-0.2 -0.946 39.7-120.6-140.9 158.8 25.3 16.4 77.8 467 182 B N E > - v 0 485D 47 -2,-0.3 4,-3.0 17,-0.2 5,-0.2 -0.497 47.9 -92.0 -91.5 171.0 25.0 16.1 74.0 468 183 B E H > S+ 0 0 95 17,-1.1 4,-1.4 1,-0.2 5,-0.2 0.872 127.4 50.2 -52.7 -40.8 28.2 15.8 71.9 469 184 B S H >> S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 3,-0.8 0.977 113.9 44.1 -61.8 -53.7 28.5 19.5 71.4 470 185 B E H 3> S+ 0 0 12 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.871 109.2 58.7 -57.2 -38.5 28.1 20.2 75.2 471 186 B A H 3X S+ 0 0 16 -4,-3.0 4,-0.6 1,-0.2 -1,-0.3 0.814 113.0 38.4 -63.1 -30.3 30.5 17.3 75.9 472 187 B E H << S+ 0 0 151 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.866 117.0 48.3 -88.3 -39.2 33.2 19.0 73.9 473 188 B L H < S+ 0 0 93 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.834 125.3 28.0 -69.9 -33.7 32.6 22.6 74.9 474 189 B L H < S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.561 89.4-147.6-104.8 -13.6 32.4 21.9 78.7 475 190 B Q < - 0 0 121 -4,-0.6 -3,-0.1 -5,-0.4 -4,-0.1 0.919 16.8-144.6 42.7 69.2 34.7 18.8 78.9 476 191 B P + 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 -0.257 34.2 152.4 -58.7 144.6 32.9 17.0 81.8 477 192 B Y + 0 0 149 0, 0.0 2,-1.9 0, 0.0 -2,-0.0 0.305 48.7 43.8-136.1 -93.0 35.3 15.1 84.1 478 193 B G S S+ 0 0 63 2,-0.0 2,-0.2 3,-0.0 3,-0.0 0.253 80.4 130.3 -53.3 19.4 35.3 14.1 87.7 479 194 B V - 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0 0 45 -12,-0.2 4,-1.5 -3,-0.1 5,-0.1 -0.606 51.0 -83.2-125.6-173.9 -9.1 68.7 53.7 1108 251 D A H > S+ 0 0 46 1,-0.2 4,-1.5 -2,-0.2 5,-0.1 0.774 126.5 54.1 -65.7 -26.9 -5.7 70.0 54.7 1109 252 D L H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 102.5 55.2 -76.3 -36.6 -7.0 70.7 58.2 1110 253 D A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.905 110.8 47.1 -61.8 -39.3 -8.2 67.2 58.8 1111 254 D L H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.877 108.5 54.0 -68.4 -38.8 -4.7 66.0 58.0 1112 255 D A H X S+ 0 0 14 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.924 111.7 45.7 -60.0 -46.3 -3.2 68.6 60.3 1113 256 D H H X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.907 111.0 52.9 -62.0 -46.1 -5.4 67.3 63.1 1114 257 D A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.902 105.8 52.5 -58.4 -43.9 -4.6 63.7 62.2 1115 258 D S H X S+ 0 0 10 -4,-2.6 4,-1.5 1,-0.2 -38,-0.2 0.857 110.1 50.2 -62.3 -34.0 -0.8 64.3 62.4 1116 259 D R H X S+ 0 0 129 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.951 111.4 47.1 -66.8 -50.5 -1.3 65.8 65.8 1117 260 D A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.857 110.5 52.0 -59.9 -39.3 -3.3 62.9 67.1 1118 261 D A H X S+ 0 0 14 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.855 102.5 60.4 -67.5 -35.9 -0.8 60.3 65.7 1119 262 D A H X S+ 0 0 26 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.921 102.6 51.4 -58.8 -43.6 2.0 62.1 67.4 1120 263 D I H >< S+ 0 0 33 -4,-1.5 3,-0.9 1,-0.2 4,-0.4 0.945 108.1 53.2 -59.7 -45.6 0.4 61.5 70.8 1121 264 D T H >< S+ 0 0 0 -4,-1.5 3,-0.9 1,-0.2 -1,-0.2 0.861 107.9 48.9 -58.6 -38.2 0.0 57.8 70.0 1122 265 D V H 3< S+ 0 0 22 -4,-1.9 -40,-3.3 1,-0.2 -39,-2.0 0.675 102.7 62.1 -78.3 -14.2 3.7 57.4 69.1 1123 266 D S T << S+ 0 0 61 -4,-1.1 -1,-0.2 -3,-0.9 2,-0.2 0.482 102.9 61.6 -87.0 -2.3 4.8 59.1 72.3 1124 267 D R S < S- 0 0 79 -3,-0.9 -41,-0.5 -4,-0.4 2,-0.3 -0.643 84.2-113.0-115.4 175.3 3.1 56.3 74.4 1125 268 D R S S+ 0 0 168 4,-0.2 2,-0.1 -2,-0.2 -2,-0.1 -0.835 72.0 15.7-111.1 148.7 3.6 52.6 74.7 1126 269 D G S S- 0 0 1 -2,-0.3 -2,-0.1 4,-0.1 -256,-0.1 -0.385 82.0 -88.3 90.1-172.1 1.1 49.9 73.7 1127 270 D T S >> S+ 0 0 0 -258,-0.1 3,-2.6 -234,-0.1 4,-0.6 0.660 109.7 14.8-103.6 -96.6 -1.9 50.1 71.4 1128 271 D L G >4 S+ 0 0 8 -235,-1.9 3,-1.7 1,-0.3 -234,-0.1 0.896 125.1 59.1 -47.1 -49.3 -5.3 51.1 73.0 1129 272 D S G 34 S+ 0 0 80 1,-0.3 -1,-0.3 -236,-0.2 -4,-0.2 0.465 106.1 50.9 -63.7 0.5 -3.5 52.3 76.2 1130 273 D A G <4 S+ 0 0 0 -3,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 0.519 83.8 109.5-114.1 -9.5 -1.6 54.8 74.0 1131 274 D F S << S- 0 0 6 -3,-1.7 -13,-0.1 -4,-0.6 -44,-0.0 -0.369 76.7-102.5 -71.4 145.1 -4.5 56.4 72.1 1132 275 D P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.218 38.7-124.8 -60.0 155.9 -5.5 60.0 72.9 1133 276 D G > - 0 0 15 1,-0.1 4,-2.8 -226,-0.0 5,-0.3 -0.692 27.7-101.3-102.9 160.3 -8.6 60.3 75.1 1134 277 D S H > S+ 0 0 65 -2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.877 126.8 64.9 -40.3 -39.4 -11.8 62.3 74.3 1135 278 D R H > S+ 0 0 207 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.960 109.4 29.1 -42.9 -76.6 -9.9 64.6 76.6 1136 279 D E H > S+ 0 0 65 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.898 121.3 54.1 -57.4 -47.0 -6.9 65.3 74.4 1137 280 D L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 3,-0.4 0.922 102.9 54.5 -57.3 -51.1 -8.8 64.9 71.1 1138 281 D A H X S+ 0 0 61 -4,-3.2 4,-1.0 -5,-0.3 -1,-0.2 0.901 111.6 44.4 -51.2 -48.2 -11.6 67.4 71.9 1139 282 D A H < S+ 0 0 74 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.768 116.2 50.3 -68.3 -25.6 -9.1 70.2 72.6 1140 283 D L H < S+ 0 0 37 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.858 107.9 49.6 -79.9 -40.6 -7.1 69.1 69.5 1141 284 D L H < 0 0 19 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.626 360.0 360.0 -76.5 -16.3 -10.0 69.0 67.0 1142 285 D T < 0 0 143 -4,-1.0 -1,-0.1 -5,-0.3 -4,-0.0 -0.225 360.0 360.0 -53.6 360.0 -11.3 72.5 67.9