==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-APR-13 4K8T . COMPND 2 MOLECULE: SUGAR KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM ETLI; . AUTHOR V.N.MALASHKEVICH,R.BHOSLE,R.TORO,B.HILLERICH,A.GIZZI,S.GARFO . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 495 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 7.4 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 51 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.4 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 2 2 4 0 0 2 2 4 0 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 6 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 PARALLEL BRIDGES PER LADDER . 0 1 0 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 1 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 X 0 0 247 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 144.5 75.0 36.1 51.8 2 0 A T - 0 0 34 1,-0.1 148,-0.1 2,-0.0 149,-0.1 -0.842 360.0-124.2-121.0 153.6 75.8 33.8 48.9 3 1 A R S S+ 0 0 115 -2,-0.3 2,-0.4 1,-0.1 147,-0.1 0.787 91.3 42.2 -59.9 -34.0 75.3 33.9 45.2 4 2 A F E -a 150 0A 17 145,-1.7 147,-2.1 1,-0.2 71,-0.2 -0.950 42.3-176.1-131.7 137.5 73.4 30.6 45.0 5 3 A D E S+ 0 0 11 69,-2.8 147,-2.4 -2,-0.4 2,-0.5 0.877 88.1 20.8 -82.4 -55.8 70.7 28.7 46.9 6 4 A V E -ab 152 75A 0 68,-1.8 70,-1.9 145,-0.2 2,-0.5 -0.965 57.6-175.6-124.8 121.8 71.0 25.6 44.7 7 5 A L E -ab 153 76A 0 145,-3.3 147,-3.7 -2,-0.5 2,-0.3 -0.945 16.8-168.1 -99.7 130.3 73.7 24.4 42.4 8 6 A T E -ab 154 77A 0 68,-2.4 70,-2.0 -2,-0.5 2,-0.4 -0.876 7.1-160.0-116.4 154.8 72.8 21.3 40.4 9 7 A V E +ab 155 78A 1 145,-1.9 147,-1.4 -2,-0.3 2,-0.3 -0.997 30.6 122.6-136.1 127.9 75.1 19.0 38.4 10 8 A G - 0 0 1 68,-2.2 2,-0.5 -2,-0.4 70,-0.3 -0.948 61.6 -56.0-165.2 179.7 73.9 16.6 35.7 11 9 A N - 0 0 7 -2,-0.3 2,-0.7 68,-0.1 51,-0.3 -0.702 52.1-133.5 -71.5 117.6 73.8 15.2 32.1 12 10 A A + 0 0 0 -2,-0.5 101,-0.6 68,-0.4 2,-0.3 -0.716 41.6 167.1 -79.9 115.3 73.0 18.1 29.9 13 11 A I E -i 113 0B 16 -2,-0.7 45,-3.1 45,-0.3 2,-0.5 -0.964 36.0-145.6-136.0 143.1 70.3 16.7 27.6 14 12 A V E -iJ 114 57B 0 99,-1.8 101,-1.7 -2,-0.3 2,-0.3 -0.956 28.5-133.7-105.7 130.7 67.7 17.9 25.1 15 13 A D E -iJ 115 56B 7 41,-3.2 41,-2.1 -2,-0.5 2,-0.5 -0.620 11.6-160.7 -86.3 140.4 64.4 15.8 25.0 16 14 A I E -iJ 116 55B 12 99,-2.8 101,-2.8 -2,-0.3 2,-0.4 -0.987 25.2-161.3-118.0 109.9 62.8 14.6 21.8 17 15 A I E +iJ 117 54B 11 37,-3.2 37,-1.7 -2,-0.5 2,-0.3 -0.836 20.2 159.2-111.4 131.7 59.2 13.9 22.9 18 16 A S E -i 118 0B 15 99,-2.5 101,-2.8 -2,-0.4 2,-0.3 -0.991 34.6-123.7-144.4 149.7 56.5 11.7 21.2 19 17 A R E +i 119 0B 116 -2,-0.3 2,-0.3 33,-0.3 101,-0.2 -0.740 36.9 174.4 -86.6 139.6 53.3 10.0 22.3 20 18 A C - 0 0 20 99,-2.2 101,-0.4 -2,-0.3 2,-0.2 -0.917 31.9-108.9-136.9 167.2 53.1 6.2 21.6 21 19 A N >> - 0 0 92 -2,-0.3 3,-0.8 99,-0.1 4,-0.7 -0.502 40.4-107.3 -84.1 167.8 50.8 3.2 22.2 22 20 A D H 3> S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.792 116.8 65.4 -72.9 -22.4 52.0 0.5 24.6 23 21 A Q H 3> S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.812 92.1 64.3 -65.3 -30.1 52.7 -1.9 21.8 24 22 A F H <> S+ 0 0 30 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.922 101.9 48.7 -57.9 -43.0 55.5 0.4 20.6 25 23 A L H <>S+ 0 0 4 -4,-0.7 5,-2.1 -3,-0.4 4,-0.4 0.941 113.7 46.0 -63.2 -47.3 57.4 -0.2 23.9 26 24 A I H ><5S+ 0 0 105 -4,-1.5 3,-1.3 1,-0.2 -2,-0.2 0.932 111.5 50.5 -60.6 -50.8 57.1 -3.9 23.6 27 25 A D H 3<5S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.811 117.0 41.5 -59.9 -29.2 58.0 -4.1 19.9 28 26 A N T 3<5S- 0 0 8 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.347 106.6-122.3-104.7 6.3 61.1 -2.0 20.5 29 27 A Q T < 5 + 0 0 172 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.807 53.6 160.7 55.2 36.9 62.2 -3.6 23.8 30 28 A I < - 0 0 10 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.768 43.5-124.7 -86.0 124.6 62.0 -0.3 25.6 31 29 A T > - 0 0 66 -2,-0.5 3,-1.5 96,-0.1 96,-0.2 -0.613 33.0-119.4 -76.6 118.2 61.8 -0.7 29.4 32 30 A K T 3 S+ 0 0 76 -2,-0.5 94,-0.1 1,-0.2 3,-0.1 -0.281 87.8 4.7 -64.6 140.4 58.6 1.2 30.4 33 31 A A T 3 S+ 0 0 37 1,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.494 111.5 108.9 68.4 9.1 59.0 4.1 32.9 34 32 A A S < S- 0 0 3 -3,-1.5 93,-2.3 155,-0.1 2,-0.7 -0.648 76.7-111.0-116.0 163.7 62.8 3.7 32.9 35 33 A X E -k 127 0B 15 -2,-0.2 2,-0.7 91,-0.2 93,-0.2 -0.886 36.0-163.5 -92.5 112.0 65.9 5.5 31.6 36 34 A N E -k 128 0B 24 91,-3.3 93,-1.9 -2,-0.7 2,-0.1 -0.881 9.5-142.6-102.1 108.9 67.2 3.3 28.8 37 35 A L E -k 129 0B 72 -2,-0.7 2,-0.3 91,-0.2 93,-0.2 -0.468 25.8-177.9 -68.2 141.8 70.8 4.1 27.8 38 36 A I - 0 0 18 91,-2.3 93,-0.4 -2,-0.1 2,-0.1 -0.982 21.5-126.7-141.6 150.5 71.5 3.7 24.0 39 37 A D > - 0 0 100 -2,-0.3 4,-1.9 91,-0.1 5,-0.1 -0.318 41.5 -93.5 -86.9 178.0 74.4 4.0 21.6 40 38 A A H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.841 124.1 51.3 -63.3 -37.2 74.5 6.2 18.4 41 39 A E H > S+ 0 0 163 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 111.7 46.0 -69.0 -42.9 73.3 3.3 16.2 42 40 A R H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.804 108.7 57.2 -67.2 -32.1 70.3 2.5 18.4 43 41 A A H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.936 108.5 45.8 -66.2 -43.9 69.5 6.3 18.6 44 42 A E H X S+ 0 0 136 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.944 113.9 50.3 -61.2 -46.8 69.3 6.5 14.8 45 43 A L H X S+ 0 0 79 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.967 112.8 44.3 -58.8 -54.3 67.2 3.3 14.7 46 44 A L H >X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 3,-0.6 0.841 111.9 52.5 -60.5 -36.1 64.7 4.5 17.4 47 45 A Y H >< S+ 0 0 36 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.906 103.3 58.8 -66.6 -37.6 64.4 7.9 15.8 48 46 A S H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.702 113.0 39.4 -64.1 -21.9 63.6 6.3 12.5 49 47 A R H << S+ 0 0 135 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.521 96.1 102.9-102.9 -12.7 60.6 4.6 14.1 50 48 A X << - 0 0 2 -4,-0.9 3,-0.1 -3,-0.7 -30,-0.1 -0.448 69.4-123.5 -74.7 145.1 59.6 7.6 16.3 51 49 A G - 0 0 26 1,-0.2 377,-0.1 -32,-0.2 -1,-0.1 -0.043 54.6 -51.4 -72.2 179.6 56.6 9.7 15.3 52 50 A P S S- 0 0 51 0, 0.0 -33,-0.3 0, 0.0 2,-0.2 -0.379 74.5-160.8 -53.8 135.3 56.6 13.5 14.7 53 51 A A - 0 0 7 367,-0.2 335,-0.5 -3,-0.1 2,-0.4 -0.671 22.6-136.7-124.2 168.3 58.2 15.0 17.9 54 52 A L E -JL 17 387B 27 -37,-1.7 -37,-3.2 -2,-0.2 2,-0.4 -0.965 22.1-139.6-121.6 145.6 58.7 18.1 19.9 55 53 A E E +JL 16 386B 1 331,-2.6 331,-2.4 -2,-0.4 2,-0.3 -0.858 25.5 165.0-108.6 142.8 62.0 19.2 21.4 56 54 A A E -J 15 0B 4 -41,-2.1 -41,-3.2 -2,-0.4 329,-0.1 -0.974 43.4-100.0-152.9 140.4 62.5 20.7 24.8 57 55 A S E +J 14 0B 6 327,-0.5 -43,-0.3 -2,-0.3 2,-0.1 -0.370 55.4 159.7 -61.5 133.3 65.6 21.2 27.0 58 56 A G + 0 0 0 -45,-3.1 -45,-0.3 255,-0.1 -1,-0.1 -0.191 20.9 139.8-128.9-136.0 65.8 18.4 29.6 59 57 A G > - 0 0 5 -47,-0.2 4,-2.8 3,-0.2 5,-0.3 0.448 57.7-112.5 83.2 126.0 68.3 16.7 31.9 60 58 A S H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.967 117.9 39.2 -53.3 -60.1 67.1 15.8 35.4 61 59 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.800 113.8 56.9 -56.5 -38.2 69.4 18.3 37.2 62 60 A G H > S+ 0 0 0 -51,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.959 107.7 46.0 -57.0 -53.6 68.8 20.9 34.5 63 61 A N H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.897 112.3 53.3 -57.3 -42.1 65.1 20.7 35.1 64 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.927 109.5 45.9 -62.9 -46.5 65.7 21.0 38.8 65 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.965 112.9 50.4 -59.2 -51.9 67.8 24.1 38.5 66 64 A A H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.856 109.0 53.3 -53.8 -37.7 65.3 25.7 36.2 67 65 A G H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.869 107.8 49.5 -67.1 -40.5 62.5 24.9 38.7 68 66 A V H X>S+ 0 0 0 -4,-2.0 5,-2.4 -3,-0.3 4,-0.7 0.929 112.3 48.5 -61.3 -45.2 64.4 26.6 41.5 69 67 A A H ><5S+ 0 0 16 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.940 109.0 53.0 -60.8 -47.9 64.9 29.7 39.3 70 68 A N H 3<5S+ 0 0 22 -4,-2.7 251,-0.8 1,-0.2 -1,-0.2 0.914 106.9 52.5 -50.5 -46.9 61.2 29.7 38.3 71 69 A L H 3<5S- 0 0 4 -4,-2.0 -1,-0.2 249,-0.2 -2,-0.2 0.656 127.8 -97.2 -68.8 -14.3 60.1 29.6 42.0 72 70 A G T <<5S+ 0 0 57 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.400 80.9 130.3 111.7 2.1 62.4 32.7 42.8 73 71 A G < - 0 0 8 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.3 -0.372 65.0-104.5 -85.3 163.9 65.5 31.0 44.1 74 72 A K - 0 0 128 -2,-0.1 -69,-2.8 212,-0.1 -68,-1.8 -0.818 47.9-174.1 -95.7 109.4 69.1 31.6 43.0 75 73 A A E -b 6 0A 3 -2,-0.8 25,-2.1 23,-0.4 2,-0.3 -0.703 18.2-177.7-110.8 154.8 70.3 28.7 40.8 76 74 A A E -bc 7 100A 0 -70,-1.9 -68,-2.4 -2,-0.2 2,-0.3 -0.963 10.4-157.5-142.1 154.6 73.4 27.4 39.1 77 75 A Y E -bc 8 101A 0 23,-2.4 25,-0.6 -2,-0.3 2,-0.5 -0.998 11.2-164.1-142.4 135.5 74.1 24.4 36.8 78 76 A F E +b 9 0A 4 -70,-2.0 -68,-2.2 -2,-0.3 2,-0.3 -0.981 37.7 127.4-114.0 122.0 77.1 22.3 35.7 79 77 A G - 0 0 0 -2,-0.5 2,-0.5 -70,-0.2 -68,-0.1 -0.866 48.5-122.2-173.8 144.9 76.6 20.1 32.6 80 78 A N + 0 0 1 -70,-0.3 -68,-0.4 -2,-0.3 33,-0.3 -0.856 28.5 170.4-107.0 122.5 78.4 19.6 29.3 81 79 A V - 0 0 1 -2,-0.5 25,-0.5 22,-0.2 26,-0.2 -0.609 32.7-107.4-108.0 174.6 76.9 20.1 25.9 82 80 A A - 0 0 2 -2,-0.2 2,-2.1 23,-0.2 26,-0.2 -0.645 35.9 -99.1 -95.5 163.5 78.6 20.1 22.4 83 81 A A S S+ 0 0 54 24,-3.3 2,-0.2 -2,-0.2 25,-0.0 -0.522 89.3 100.2 -78.6 70.9 79.2 23.1 20.2 84 82 A D S > S- 0 0 21 -2,-2.1 4,-2.2 23,-0.1 5,-0.2 -0.822 90.3 -84.8-143.2-178.4 76.2 22.4 18.1 85 83 A Q H > S+ 0 0 35 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.881 125.4 50.2 -63.5 -39.9 72.5 23.5 17.6 86 84 A L H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 112.0 50.0 -64.4 -40.1 71.1 21.2 20.3 87 85 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.880 108.9 51.0 -63.5 -39.8 73.8 22.5 22.7 88 86 A D H X S+ 0 0 94 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.864 110.1 50.3 -65.4 -37.2 72.9 26.1 21.8 89 87 A I H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.928 112.1 47.1 -63.3 -46.9 69.2 25.3 22.5 90 88 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.943 112.9 48.8 -61.0 -48.0 70.2 23.8 25.9 91 89 A T H X S+ 0 0 38 -4,-2.8 4,-1.9 1,-0.2 5,-0.3 0.921 113.3 48.1 -61.0 -44.1 72.4 26.7 26.7 92 90 A H H X S+ 0 0 20 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.933 110.6 48.2 -58.8 -53.1 69.7 29.2 25.8 93 91 A D H X S+ 0 0 2 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.880 114.7 43.8 -63.1 -41.2 66.8 27.6 27.7 94 92 A I H ><>S+ 0 0 0 -4,-2.0 5,-1.6 -5,-0.2 3,-0.6 0.946 117.6 44.7 -72.2 -44.6 68.6 27.2 31.0 95 93 A R H ><5S+ 0 0 156 -4,-1.9 3,-2.2 -5,-0.3 -2,-0.2 0.910 108.4 57.4 -62.7 -43.1 70.2 30.7 30.9 96 94 A A H 3<5S+ 0 0 42 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.711 99.7 59.5 -64.0 -19.0 67.0 32.3 29.9 97 95 A Q T <<5S- 0 0 44 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.541 125.8-105.1 -81.5 -7.7 65.4 30.9 33.0 98 96 A G T < 5S+ 0 0 59 -3,-2.2 2,-0.4 1,-0.3 -23,-0.4 0.648 72.7 144.4 91.3 19.2 68.0 32.9 35.0 99 97 A V < - 0 0 6 -5,-1.6 2,-0.5 -25,-0.1 -1,-0.3 -0.732 55.5-118.7 -85.6 129.9 70.2 29.9 35.9 100 98 A H E +c 76 0A 35 -25,-2.1 -23,-2.4 -2,-0.4 2,-0.3 -0.640 43.7 167.7 -67.4 121.0 74.0 30.5 36.0 101 99 A Y E +c 77 0A 8 -2,-0.5 -23,-0.1 -25,-0.2 -6,-0.1 -0.895 15.1 148.5-145.4 110.6 75.4 28.2 33.4 102 100 A Q + 0 0 92 -25,-0.6 2,-0.1 -2,-0.3 -24,-0.1 0.344 20.7 138.2-126.2 0.5 79.0 28.6 32.3 103 101 A T - 0 0 9 -26,-0.4 -22,-0.2 -24,-0.1 38,-0.1 -0.358 49.6-134.4 -57.9 123.8 80.2 25.0 31.4 104 102 A K - 0 0 138 -2,-0.1 -1,-0.1 -24,-0.1 -21,-0.1 -0.649 11.5-120.4 -89.8 127.5 82.2 25.4 28.2 105 103 A P - 0 0 61 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.390 12.8-149.1 -63.2 147.3 81.7 23.0 25.2 106 104 A K - 0 0 77 -25,-0.5 2,-0.3 1,-0.3 -24,-0.1 0.582 63.2 -55.0 -94.6 -13.3 84.8 21.0 24.3 107 105 A G - 0 0 30 -26,-0.2 -24,-3.3 3,-0.1 -1,-0.3 -0.963 62.8 -73.1 163.8-167.1 84.0 20.7 20.6 108 106 A A S S+ 0 0 40 -2,-0.3 4,-0.1 -26,-0.2 -26,-0.1 0.682 93.1 99.4 -90.5 -21.6 81.2 19.5 18.2 109 107 A F S S+ 0 0 171 2,-0.1 -1,-0.2 -3,-0.1 3,-0.0 -0.979 72.6 32.2-131.8 135.5 81.8 15.8 18.7 110 108 A P S S- 0 0 41 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 0.538 104.3-126.1 -62.3 153.1 80.5 13.7 20.4 111 109 A P - 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0 0 61 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.448 53.4-109.7 -98.5 176.9 77.4 23.8 52.7 182 180 A E E -d 152 0A 63 -31,-2.1 -29,-2.2 -32,-0.2 2,-0.4 -0.799 16.2-143.9-113.5 151.1 75.3 20.7 52.0 183 181 A X E -d 153 0A 0 -2,-0.3 27,-2.4 -31,-0.2 28,-1.8 -0.892 18.4-175.7-110.5 140.4 75.3 18.1 49.3 184 182 A S E -de 154 211A 0 -31,-2.8 -29,-2.0 -2,-0.4 2,-0.3 -0.960 2.3-175.0-135.2 150.1 72.2 16.4 47.9 185 183 A X E -de 155 212A 0 26,-2.1 28,-2.8 -2,-0.3 2,-0.4 -0.985 18.0-140.2-141.4 154.8 71.6 13.6 45.4 186 184 A T E -de 156 213A 13 -31,-2.1 -29,-1.9 -2,-0.3 28,-0.2 -0.937 17.3-138.8-109.5 144.1 68.8 11.9 43.6 187 185 A L - 0 0 0 26,-2.3 2,-2.4 -2,-0.4 6,-0.2 0.590 35.2-164.8 -72.9 -15.4 68.8 8.2 43.1 188 186 A S + 0 0 11 25,-0.2 2,-0.3 4,-0.1 -1,-0.2 -0.261 54.6 5.5 75.3 -55.4 67.5 9.0 39.5 189 187 A D > - 0 0 7 -2,-2.4 4,-2.5 -3,-0.1 5,-0.1 -0.966 67.5-118.7-166.3 140.9 66.1 5.7 38.3 190 188 A S H > S+ 0 0 31 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.817 116.6 45.3 -60.5 -33.6 65.7 2.1 39.8 191 189 A F H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.851 107.5 56.6 -79.4 -35.1 68.1 0.5 37.3 192 190 A C H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.956 110.1 47.4 -54.0 -48.2 70.6 3.3 37.7 193 191 A V H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.905 107.1 55.2 -58.1 -46.3 70.4 2.2 41.5 194 192 A D H < S+ 0 0 81 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.900 111.4 47.1 -48.6 -46.1 70.8 -1.4 40.5 195 193 A R H < S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 127.6 21.9 -70.0 -33.0 74.0 -0.4 38.6 196 194 A Y H X S+ 0 0 38 -4,-1.6 4,-2.7 -3,-0.2 5,-0.2 0.064 76.6 130.7-131.2 25.7 75.6 1.7 41.4 197 195 A R H X S+ 0 0 38 -4,-1.0 4,-2.4 -3,-0.4 5,-0.2 0.873 78.0 46.5 -47.8 -55.5 74.0 0.5 44.6 198 196 A G H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 114.6 47.7 -55.7 -43.0 77.3 0.1 46.5 199 197 A E H > S+ 0 0 77 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.886 111.4 49.2 -71.3 -40.5 78.6 3.5 45.4 200 198 A F H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.940 111.8 48.7 -62.1 -49.8 75.4 5.4 46.2 201 199 A L H X S+ 0 0 19 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.854 110.0 52.9 -58.1 -38.7 75.2 3.9 49.8 202 200 A D H X S+ 0 0 96 -4,-1.7 4,-2.4 1,-0.2 6,-0.3 0.889 105.8 53.3 -66.4 -41.9 78.9 4.7 50.3 203 201 A L H X>S+ 0 0 4 -4,-2.0 6,-1.7 2,-0.2 5,-1.0 0.889 114.5 43.1 -54.3 -40.7 78.2 8.4 49.3 204 202 A X H ><5S+ 0 0 5 -4,-1.7 3,-0.6 4,-0.2 -2,-0.2 0.939 116.2 44.5 -76.1 -47.8 75.4 8.4 52.0 205 203 A R H 3<5S+ 0 0 141 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.797 110.5 54.6 -71.0 -28.8 77.3 6.6 54.8 206 204 A S H 3<5S- 0 0 55 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.681 113.1-114.6 -78.3 -16.3 80.6 8.6 54.3 207 205 A G T <<5S+ 0 0 23 -4,-0.6 -3,-0.2 -3,-0.6 -24,-0.1 0.495 85.3 118.2 93.0 6.9 78.8 11.9 54.7 208 206 A K S - f 0 245A 39 -2,-0.3 4,-2.3 29,-0.2 31,-0.2 -0.540 47.0 -91.2 -95.6 178.3 60.8 7.7 44.6 216 214 A R H > S+ 0 0 106 29,-0.8 4,-2.6 1,-0.2 5,-0.2 0.930 126.1 49.5 -56.5 -49.1 59.2 4.4 45.8 217 215 A Q H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 112.0 48.0 -57.3 -41.3 60.9 2.3 43.1 218 216 A E H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.871 111.2 50.6 -70.9 -37.8 64.3 3.7 43.8 219 217 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.937 111.3 47.6 -66.9 -46.4 64.0 3.2 47.5 220 218 A L H <>S+ 0 0 36 -4,-2.6 5,-2.4 1,-0.2 4,-0.2 0.866 115.1 46.8 -60.2 -38.9 62.9 -0.4 47.1 221 219 A S H ><5S+ 0 0 13 -4,-1.9 3,-0.8 3,-0.2 -2,-0.2 0.873 101.6 63.0 -71.9 -38.8 65.8 -1.0 44.7 222 220 A L H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.884 120.5 26.3 -54.1 -36.7 68.4 0.7 46.9 223 221 A Y T 3<5S- 0 0 10 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.267 104.3-126.1-111.8 8.8 67.7 -2.0 49.5 224 222 A Q T < 5 + 0 0 143 -3,-0.8 2,-0.3 -4,-0.2 -3,-0.2 0.897 67.6 126.9 47.8 50.4 66.5 -4.8 47.1 225 223 A T < - 0 0 22 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.912 61.5-150.9-131.9 153.4 63.3 -5.2 49.1 226 224 A D S S+ 0 0 154 -2,-0.3 2,-0.8 -3,-0.1 -6,-0.1 0.275 78.3 97.1-101.9 8.1 59.6 -5.2 48.3 227 225 A D > - 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0 0 145 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.445 22.1-119.6 -76.4 151.8 30.8 27.8 10.7 595 262 B A - 0 0 33 -16,-0.4 39,-0.1 -2,-0.1 -1,-0.1 -0.696 35.8-103.1 -85.7 145.5 33.9 27.6 12.9 596 263 B I - 0 0 65 37,-0.3 2,-0.6 -2,-0.3 -15,-0.1 -0.339 40.4-103.3 -64.7 150.5 33.9 25.0 15.6 597 264 B R - 0 0 250 -3,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.705 41.6-141.1 -83.3 122.5 33.2 26.3 19.1 598 265 B I - 0 0 51 -2,-0.6 3,-0.2 1,-0.1 40,-0.0 -0.605 18.4-154.5 -93.1 139.3 36.4 26.5 21.1 599 266 B R S S- 0 0 235 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.966 84.7 -20.9 -64.4 -57.3 37.1 25.7 24.7 600 267 B E - 0 0 127 -146,-0.0 2,-0.8 0, 0.0 -1,-0.3 -0.965 62.8-119.3-156.5 136.0 40.1 28.0 24.8 601 268 B V + 0 0 51 -2,-0.3 40,-0.2 1,-0.2 3,-0.1 -0.724 36.1 170.7 -78.8 110.3 42.4 29.5 22.2 602 269 B V - 0 0 27 38,-2.1 2,-0.3 -2,-0.8 39,-0.2 0.932 67.1 -16.6 -83.9 -54.7 45.9 28.2 23.1 603 270 B D - 0 0 1 37,-1.5 39,-0.4 39,-0.2 -1,-0.3 -0.882 49.2-153.3-161.9 114.7 48.0 29.2 20.2 604 271 B T > + 0 0 30 -150,-3.0 3,-2.1 -2,-0.3 4,-0.3 0.524 53.5 131.4 -72.0 -7.3 46.7 30.3 16.7 605 272 B T T 3 S+ 0 0 4 -151,-0.3 -2,-0.1 1,-0.3 -148,-0.0 -0.276 76.3 11.7 -52.3 121.8 49.9 29.1 15.0 606 273 B G T 3> S+ 0 0 6 34,-0.0 4,-2.7 40,-0.0 -1,-0.3 0.477 84.3 126.3 90.8 2.8 49.0 26.9 12.0 607 274 B A H <> S+ 0 0 30 -3,-2.1 4,-1.8 2,-0.2 -2,-0.1 0.949 80.8 39.9 -60.1 -49.9 45.3 27.7 11.8 608 275 B G H > S+ 0 0 42 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.923 114.4 54.5 -65.0 -44.3 45.4 28.8 8.2 609 276 B D H > S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.909 111.7 43.3 -54.7 -47.3 47.9 26.0 7.3 610 277 B L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 26,-0.3 0.757 105.8 61.1 -77.1 -29.7 45.6 23.3 8.7 611 278 B F H X S+ 0 0 4 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.940 107.6 47.6 -52.3 -47.7 42.4 24.9 7.2 612 279 B A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.870 107.5 56.8 -62.8 -38.0 44.2 24.2 3.8 613 280 B S H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.936 112.5 39.2 -56.6 -49.5 45.0 20.7 5.0 614 281 B G H X S+ 0 0 0 -4,-2.1 4,-2.9 18,-0.2 18,-0.3 0.921 117.9 49.0 -69.0 -44.8 41.3 19.9 5.6 615 282 B F H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.930 114.8 43.6 -59.3 -50.0 40.1 21.7 2.5 616 283 B L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.856 112.6 52.8 -69.9 -33.2 42.7 20.1 0.2 617 284 B Y H X S+ 0 0 28 -4,-2.1 4,-0.8 -5,-0.3 -2,-0.2 0.980 114.3 42.5 -61.5 -54.0 42.1 16.6 1.7 618 285 B G H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 3,-1.0 0.923 113.5 53.9 -57.0 -44.7 38.3 17.0 1.1 619 286 B Y H ><5S+ 0 0 50 -4,-3.2 3,-1.0 1,-0.3 -1,-0.2 0.883 109.3 45.7 -59.4 -41.3 39.0 18.5 -2.4 620 287 B T H 3<5S+ 0 0 10 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.540 107.7 58.5 -84.2 -4.7 41.1 15.6 -3.6 621 288 B Q T <<5S- 0 0 94 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.395 119.7-108.8 -99.4 -3.4 38.7 13.1 -2.2 622 289 B G T < 5 + 0 0 70 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.667 64.5 156.0 85.9 20.1 35.9 14.6 -4.4 623 290 B R < - 0 0 77 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.0 -0.331 49.5 -89.5 -76.6 159.7 34.0 16.2 -1.6 624 291 B S > - 0 0 59 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.246 36.8-111.7 -61.5 152.2 31.6 19.2 -2.0 625 292 B L H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.847 121.2 52.5 -58.5 -30.6 33.1 22.7 -1.6 626 293 B E H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 108.5 48.8 -67.8 -45.7 31.1 23.0 1.6 627 294 B D H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.815 108.8 53.1 -65.4 -32.7 32.5 19.7 3.0 628 295 B C H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.930 109.5 49.8 -63.9 -46.5 36.0 20.8 2.1 629 296 B G H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.917 110.2 50.4 -54.1 -46.9 35.2 24.0 4.1 630 297 B K H X S+ 0 0 84 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.903 110.6 47.9 -60.4 -45.0 33.9 21.9 7.0 631 298 B L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.893 111.5 52.2 -64.5 -40.0 37.0 19.7 7.0 632 299 B G H X S+ 0 0 0 -4,-2.5 4,-3.0 -18,-0.3 5,-0.2 0.948 110.4 46.4 -57.8 -51.3 39.2 22.8 6.9 633 300 B C H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 -37,-0.3 0.840 111.7 53.0 -63.4 -34.1 37.4 24.4 9.9 634 301 B L H X S+ 0 0 25 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.970 112.8 41.9 -65.9 -52.0 37.7 21.1 11.8 635 302 B A H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -24,-0.2 0.942 116.7 48.7 -62.5 -47.4 41.5 20.8 11.3 636 303 B A H X S+ 0 0 16 -4,-3.0 4,-1.6 -26,-0.3 -1,-0.2 0.929 109.3 53.3 -53.7 -48.0 42.0 24.5 12.0 637 304 B G H < S+ 0 0 6 -4,-2.6 4,-0.2 -5,-0.2 -1,-0.2 0.875 110.6 47.5 -56.5 -40.9 39.9 24.3 15.2 638 305 B I H >< S+ 0 0 29 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.932 108.0 53.2 -67.2 -49.5 42.0 21.4 16.5 639 306 B V H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.812 102.8 58.1 -61.5 -30.6 45.4 22.9 15.9 640 307 B I T 3< S+ 0 0 24 -4,-1.6 -38,-2.1 1,-0.2 -37,-1.5 0.538 96.0 64.4 -79.8 -4.7 44.5 26.2 17.8 641 308 B Q T < S+ 0 0 63 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.162 103.3 53.3-100.8 14.7 43.8 24.2 21.0 642 309 B Q S < S- 0 0 22 -3,-1.1 2,-0.4 -39,-0.4 -39,-0.2 -0.948 86.9-104.5-140.7 161.9 47.4 23.0 21.3 643 310 B I S S+ 0 0 53 -2,-0.3 3,-0.1 -41,-0.1 -2,-0.1 -0.749 87.1 44.5 -81.7 133.4 51.0 24.4 21.4 644 311 B G S S- 0 0 2 -2,-0.4 -2,-0.2 1,-0.1 4,-0.1 0.026 85.6-102.9 104.0 146.1 52.8 23.7 18.1 645 312 B P S S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.513 99.1 66.0 -83.1 -8.3 51.7 24.1 14.5 646 313 B R S S- 0 0 32 -3,-0.1 -251,-0.0 -258,-0.1 -258,-0.0 -0.972 91.2-110.4-123.6 120.7 51.0 20.4 13.7 647 314 B P - 0 0 9 0, 0.0 4,-0.1 0, 0.0 -8,-0.1 -0.168 19.2-161.3 -48.7 128.6 48.2 18.5 15.4 648 315 B X S S+ 0 0 90 -4,-0.1 2,-0.2 2,-0.1 -629,-0.1 0.473 72.5 70.1 -92.4 -5.2 49.5 15.9 17.8 649 316 B T S S- 0 0 86 1,-0.0 2,-0.7 2,-0.0 -11,-0.0 -0.566 100.7 -81.5-104.9 171.9 46.2 14.1 17.7 650 317 B S > - 0 0 48 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 -0.642 33.5-174.1 -82.1 112.3 44.5 12.1 14.9 651 318 B L H > S+ 0 0 3 -2,-0.7 4,-2.9 2,-0.2 5,-0.2 0.903 86.6 55.0 -66.9 -41.1 42.8 14.3 12.4 652 319 B S H > S+ 0 0 29 -251,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.906 109.8 47.3 -61.4 -39.8 41.3 11.3 10.6 653 320 B E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 111.4 50.4 -66.5 -44.5 39.7 10.1 13.8 654 321 B A H X S+ 0 0 18 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.909 111.2 49.7 -56.9 -43.9 38.4 13.6 14.6 655 322 B A H <>S+ 0 0 0 -4,-2.9 6,-2.0 2,-0.2 5,-2.0 0.800 109.9 50.7 -66.1 -32.7 36.9 13.7 11.1 656 323 B K H ><5S+ 0 0 113 -4,-1.8 3,-1.2 4,-0.2 -2,-0.2 0.895 110.2 48.9 -71.3 -42.2 35.2 10.3 11.6 657 324 B Q H 3<5S+ 0 0 174 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.833 109.7 53.2 -62.9 -32.1 33.7 11.4 14.9 658 325 B A T 3<5S- 0 0 53 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.399 113.9-118.1 -87.0 1.4 32.5 14.6 13.1 659 326 B G T < 5S+ 0 0 50 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.565 90.0 110.6 70.2 10.8 30.8 12.5 10.4 660 327 B L < 0 0 21 -5,-2.0 -4,-0.2 -6,-0.2 -5,-0.1 0.707 360.0 360.0 -85.4 -23.3 33.0 14.1 7.7 661 328 B I 0 0 113 -6,-2.0 -5,-0.2 -9,-0.1 -1,-0.1 -0.265 360.0 360.0 70.0 360.0 34.7 10.8 7.3