==== 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-MAY-06 2GUP . COMPND 2 MOLECULE: ROK FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR K.TAN,H.LI,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCT . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 0 0 1 0 0 3 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 3 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 PARALLEL BRIDGES PER LADDER . 2 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 0 115 0, 0.0 2,-0.4 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 123.5 10.6 9.0 5.5 2 2 A T - 0 0 25 49,-0.3 51,-3.3 17,-0.1 52,-0.6 -0.993 360.0-147.4-125.3 135.5 10.3 12.4 3.8 3 3 A I E -Ab 18 54A 0 15,-2.8 15,-2.5 -2,-0.4 2,-0.6 -0.929 12.9-137.0-104.8 122.4 7.8 15.1 4.6 4 4 A A E -Ab 17 55A 0 50,-2.5 52,-2.7 -2,-0.6 2,-0.5 -0.618 31.4-165.2 -74.1 112.3 6.4 17.3 1.9 5 5 A T E -Ab 16 56A 0 11,-3.2 11,-3.3 -2,-0.6 2,-0.4 -0.944 7.4-170.2-114.6 132.0 6.6 20.6 3.8 6 6 A I E -Ab 15 57A 0 50,-2.5 52,-2.9 -2,-0.5 2,-0.6 -0.953 13.1-167.4-128.2 129.4 4.8 23.7 2.5 7 7 A D E -Ab 14 58A 18 7,-2.5 7,-2.3 -2,-0.4 2,-0.5 -0.964 12.2-168.3-115.8 117.8 5.0 27.4 3.6 8 8 A I E +A 13 0A 0 50,-2.5 2,-0.3 -2,-0.6 5,-0.2 -0.935 23.3 141.6-105.3 127.2 2.1 29.6 2.1 9 9 A G E > -A 12 0A 14 3,-1.5 3,-1.1 -2,-0.5 -2,-0.0 -0.935 63.6 -99.5-150.0 172.7 2.5 33.3 2.5 10 10 A G T 3 S+ 0 0 47 -2,-0.3 22,-0.4 1,-0.2 3,-0.1 0.835 119.5 60.3 -63.5 -30.0 1.8 36.6 0.5 11 11 A T T 3 S- 0 0 154 1,-0.2 2,-0.2 20,-0.1 -1,-0.2 0.517 124.7 -65.0 -81.1 -2.1 5.4 36.7 -0.5 12 12 A G E < -A 9 0A 11 -3,-1.1 -3,-1.5 19,-0.2 2,-0.4 -0.813 50.4 -87.4 144.2 176.8 5.4 33.3 -2.3 13 13 A I E -AC 8 30A 0 17,-2.7 17,-2.5 -2,-0.2 2,-0.4 -0.982 35.8-161.2-122.6 134.1 4.8 29.6 -1.7 14 14 A K E -AC 7 29A 33 -7,-2.3 -7,-2.5 -2,-0.4 2,-0.4 -0.930 5.4-169.7-114.7 144.6 7.8 27.3 -0.7 15 15 A F E +AC 6 28A 2 13,-2.7 13,-2.2 -2,-0.4 2,-0.3 -0.988 13.5 168.0-132.7 130.5 7.9 23.6 -1.0 16 16 A A E -AC 5 27A 0 -11,-3.3 -11,-3.2 -2,-0.4 2,-0.7 -0.933 33.3-130.3-143.2 146.7 10.6 21.6 0.6 17 17 A S E -AC 4 26A 0 9,-2.5 8,-3.2 -2,-0.3 9,-0.9 -0.938 34.9-172.9 -97.4 117.7 11.3 17.9 1.3 18 18 A L E -AC 3 24A 0 -15,-2.5 -15,-2.8 -2,-0.7 6,-0.2 -0.900 19.8-135.0-111.4 145.7 12.4 17.5 5.0 19 19 A T > - 0 0 20 4,-1.6 3,-2.3 -2,-0.4 -17,-0.1 -0.532 37.7-103.8 -81.3 160.5 13.7 14.6 6.9 20 20 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.684 122.3 60.5 -59.2 -19.0 12.2 13.9 10.4 21 21 A D T 3 S- 0 0 136 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.457 124.0-103.7 -80.5 -4.9 15.5 15.4 11.9 22 22 A G < + 0 0 8 -3,-2.3 2,-0.6 1,-0.3 254,-0.1 0.734 68.4 150.7 89.7 25.3 14.8 18.7 10.1 23 23 A K - 0 0 132 -4,-0.1 -4,-1.6 253,-0.0 2,-0.5 -0.813 45.2-132.6 -87.4 124.9 17.2 18.5 7.2 24 24 A I E +C 18 0A 42 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.633 25.6 179.9 -69.7 119.6 16.0 20.3 4.0 25 25 A L E S- 0 0 81 -8,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.716 70.2 -5.5 -91.9 -34.6 16.7 17.8 1.3 26 26 A D E -C 17 0A 61 -9,-0.9 -9,-2.5 2,-0.0 -1,-0.4 -0.918 65.1-164.1-157.2 160.4 15.4 20.1 -1.5 27 27 A K E +C 16 0A 112 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.995 13.3 164.6-147.7 125.7 13.7 23.5 -1.5 28 28 A T E -C 15 0A 63 -13,-2.2 -13,-2.7 -2,-0.3 2,-0.3 -0.959 10.0-168.6-141.3 165.6 11.7 25.3 -4.3 29 29 A S E -C 14 0A 77 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.991 7.2-165.8-149.1 153.5 9.4 28.3 -4.5 30 30 A I E -C 13 0A 49 -17,-2.5 -17,-2.7 -2,-0.3 -2,-0.0 -0.976 38.8 -92.3-130.8 165.2 6.9 30.2 -6.7 31 31 A S - 0 0 105 -2,-0.3 -19,-0.2 -19,-0.2 -20,-0.1 -0.323 64.2 -82.4 -60.6 143.7 5.3 33.5 -6.7 32 32 A T - 0 0 34 -22,-0.4 -1,-0.1 1,-0.1 -22,-0.0 -0.385 54.6-121.7 -55.4 121.2 1.8 33.3 -4.9 33 33 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 -0.247 10.6-122.6 -58.3 159.7 -0.7 32.0 -7.6 34 34 A E S S+ 0 0 171 1,-0.1 2,-0.3 44,-0.0 3,-0.1 0.630 89.3 25.7 -80.5 -12.9 -3.7 34.1 -8.5 35 35 A N S > S- 0 0 56 1,-0.1 4,-1.6 43,-0.0 5,-0.2 -0.979 75.2-115.6-156.3 158.0 -6.1 31.3 -7.6 36 36 A L H >> S+ 0 0 31 -2,-0.3 4,-2.5 1,-0.2 3,-0.7 0.956 113.9 59.1 -58.6 -42.2 -6.6 28.3 -5.5 37 37 A E H 3> S+ 0 0 139 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.852 105.5 47.3 -58.5 -45.1 -6.8 26.1 -8.6 38 38 A D H 3> S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.796 113.2 50.7 -62.7 -32.5 -3.3 27.1 -9.8 39 39 A L H < S+ 0 0 46 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.876 114.3 49.8 -71.0 -44.0 5.6 18.8 -6.4 47 47 A L H >< S+ 0 0 11 -4,-2.5 3,-0.7 1,-0.2 5,-0.3 0.745 104.0 61.5 -63.8 -27.4 3.9 16.0 -4.5 48 48 A S T 3< S+ 0 0 89 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.529 93.5 65.3 -79.9 -8.6 3.9 13.7 -7.5 49 49 A E T < S+ 0 0 110 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.2 0.430 103.0 28.4-111.2 3.8 7.6 13.6 -7.8 50 50 A Q S < S- 0 0 65 -3,-0.7 2,-1.1 -4,-0.1 -46,-0.0 -0.934 84.5-101.0-142.4 166.1 8.8 11.9 -4.6 51 51 A D - 0 0 157 -2,-0.3 -49,-0.3 2,-0.0 2,-0.2 -0.794 48.0-169.7 -90.4 97.9 7.4 9.3 -2.3 52 52 A Y - 0 0 19 -2,-1.1 -49,-0.2 -5,-0.3 3,-0.1 -0.597 23.9-160.6 -87.3 146.6 6.3 11.4 0.7 53 53 A S S S- 0 0 43 -51,-3.3 2,-0.3 1,-0.2 -50,-0.2 0.392 74.3 -2.6 -97.7 -2.6 5.1 10.1 4.0 54 54 A G E -b 3 0A 0 -52,-0.6 -50,-2.5 39,-0.2 2,-0.5 -0.972 59.0-126.4-177.0 166.1 3.2 13.2 5.2 55 55 A I E -bd 4 95A 0 39,-2.5 41,-2.0 -2,-0.3 2,-0.4 -0.993 25.2-176.6-133.7 117.7 2.3 16.8 4.3 56 56 A A E -bd 5 96A 0 -52,-2.7 -50,-2.5 -2,-0.5 2,-0.4 -0.973 8.4-167.8-117.3 138.2 3.1 19.5 6.8 57 57 A X E -bd 6 97A 1 39,-1.7 41,-2.1 -2,-0.4 2,-0.5 -0.965 22.0-156.9-136.8 141.8 2.0 23.2 6.2 58 58 A S E +bd 7 98A 0 -52,-2.9 -50,-2.5 -2,-0.4 41,-0.2 -0.945 31.7 171.4-108.1 126.1 2.6 26.7 7.6 59 59 A V E - d 0 99A 0 39,-2.6 41,-1.9 -2,-0.5 44,-0.1 -0.964 35.7-114.2-135.2 155.4 -0.2 29.0 6.7 60 60 A P S S+ 0 0 15 0, 0.0 14,-0.1 0, 0.0 -51,-0.0 -0.461 80.3 38.6 -79.3 159.1 -1.3 32.5 7.6 61 61 A G S S- 0 0 18 -2,-0.1 2,-0.5 12,-0.1 11,-0.2 -0.072 100.6 -49.1 85.3 174.8 -4.6 32.6 9.6 62 62 A A E -E 71 0B 47 9,-0.9 9,-3.1 37,-0.1 2,-0.3 -0.696 51.3-148.9 -93.5 117.1 -6.3 30.5 12.3 63 63 A V E -E 70 0B 21 -2,-0.5 2,-0.8 7,-0.2 7,-0.2 -0.696 5.9-146.3 -89.1 139.8 -6.3 26.7 11.7 64 64 A N > - 0 0 61 5,-2.5 4,-2.8 -2,-0.3 5,-0.4 -0.923 11.2-158.4 -97.1 106.7 -9.2 24.5 13.0 65 65 A Q T 4 S+ 0 0 46 -2,-0.8 -1,-0.1 1,-0.2 32,-0.1 0.842 87.9 51.6 -59.6 -30.8 -7.3 21.3 13.8 66 66 A E T 4 S+ 0 0 175 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.924 121.9 27.6 -73.9 -42.9 -10.5 19.3 13.7 67 67 A T T 4 S- 0 0 53 2,-0.2 18,-0.4 18,-0.0 -2,-0.2 0.813 91.8-128.2 -94.8 -20.9 -11.7 20.5 10.3 68 68 A G < + 0 0 0 -4,-2.8 16,-2.1 1,-0.3 2,-0.3 0.532 64.3 138.4 86.0 2.8 -8.6 21.5 8.4 69 69 A V B -F 83 0C 26 -5,-0.4 -5,-2.5 14,-0.2 2,-0.5 -0.706 48.7-144.7 -88.1 142.0 -10.2 24.9 7.7 70 70 A I E -E 63 0B 0 12,-0.6 11,-1.1 9,-0.4 -7,-0.2 -0.904 24.4-169.9-106.9 120.2 -8.2 28.1 7.9 71 71 A D E +E 62 0B 82 -9,-3.1 -9,-0.9 -2,-0.5 2,-0.0 -0.320 41.9 38.4-104.8-172.4 -10.4 30.9 9.3 72 72 A G S S- 0 0 52 -11,-0.2 2,-0.3 -2,-0.1 9,-0.1 -0.355 90.6 -62.9 71.6-154.8 -9.9 34.5 9.5 73 73 A F + 0 0 186 7,-0.1 2,-0.3 -2,-0.0 -12,-0.1 -0.818 50.4 157.3-135.2 157.9 -8.2 36.6 6.9 74 74 A S - 0 0 26 -2,-0.3 6,-0.1 -14,-0.1 -65,-0.0 -0.961 56.1 -80.1-165.3-178.9 -4.8 36.8 5.3 75 75 A A S S+ 0 0 75 -2,-0.3 -66,-0.1 1,-0.2 -2,-0.0 0.530 122.4 54.7 -70.1 -15.3 -2.8 37.9 2.3 76 76 A V S > S+ 0 0 2 1,-0.1 3,-1.8 -68,-0.1 -1,-0.2 -0.664 70.3 177.2-119.2 78.0 -3.8 34.8 0.4 77 77 A P G > + 0 0 95 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.783 69.8 64.3 -56.9 -33.6 -7.7 35.0 0.7 78 78 A Y G 3 S+ 0 0 51 1,-0.3 -44,-0.0 -44,-0.1 -43,-0.0 0.550 87.1 70.5 -71.6 -10.7 -8.5 31.8 -1.5 79 79 A I G < S+ 0 0 0 -3,-1.8 -9,-0.4 2,-0.0 3,-0.4 0.550 89.1 83.8 -74.5 -8.6 -6.9 29.5 1.0 80 80 A H S < S+ 0 0 32 -3,-1.8 -9,-0.2 -4,-0.2 3,-0.1 -0.469 71.5 39.7 -98.4 160.1 -9.8 30.1 3.5 81 81 A G S S+ 0 0 67 -11,-1.1 2,-0.3 -2,-0.1 -1,-0.2 0.541 96.2 72.6 85.1 10.9 -13.2 28.5 3.8 82 82 A F S S- 0 0 49 -3,-0.4 2,-0.6 -12,-0.2 -12,-0.6 -0.981 81.9 -95.6-150.6 164.0 -12.5 24.8 3.1 83 83 A S B > -F 69 0C 16 -2,-0.3 4,-2.5 -14,-0.2 -14,-0.2 -0.680 18.7-164.3 -79.9 116.9 -10.9 21.7 4.6 84 84 A W H > S+ 0 0 0 -16,-2.1 4,-1.7 -2,-0.6 -1,-0.2 0.698 92.4 66.2 -70.2 -21.5 -7.4 21.2 3.4 85 85 A Y H 4 S+ 0 0 63 -18,-0.4 -1,-0.2 2,-0.2 -17,-0.1 0.972 109.4 37.8 -62.5 -43.2 -7.9 17.6 4.8 86 86 A E H >4 S+ 0 0 150 1,-0.2 3,-2.2 2,-0.2 4,-0.3 0.947 112.2 56.8 -66.4 -52.5 -10.4 17.2 2.0 87 87 A A H 3< S+ 0 0 38 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.815 118.9 33.4 -51.6 -31.4 -8.4 19.2 -0.7 88 88 A L T >< S+ 0 0 3 -4,-1.7 3,-1.7 1,-0.2 4,-0.4 0.241 84.5 113.0-109.8 15.5 -5.4 16.9 -0.2 89 89 A S G X + 0 0 73 -3,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.788 63.8 69.2 -65.3 -27.4 -7.2 13.6 0.5 90 90 A S G 3 S+ 0 0 80 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.651 89.7 61.3 -69.6 -17.7 -6.2 11.9 -2.7 91 91 A Y G < S- 0 0 57 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.649 95.2-144.2 -78.7 -18.2 -2.5 11.6 -1.6 92 92 A Q < + 0 0 170 -3,-1.6 -2,-0.1 -4,-0.4 -3,-0.1 0.897 53.2 132.0 57.7 42.6 -3.7 9.6 1.3 93 93 A L - 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0 0 43 -3,-1.8 12,-2.6 -4,-0.2 2,-0.7 -0.461 60.9-142.2 -66.2 122.4 -1.4 43.2 24.6 152 152 A T B +K 162 0E 65 -2,-0.3 10,-0.2 10,-0.3 9,-0.1 -0.764 23.9 174.1 -90.4 117.9 -2.1 46.9 25.5 153 153 A T S S+ 0 0 14 8,-1.1 2,-0.3 -2,-0.7 -1,-0.1 0.289 71.5 42.0-105.8 3.7 0.9 48.4 27.4 154 154 A L S S- 0 0 84 7,-0.7 3,-0.1 6,-0.2 9,-0.0 -0.938 105.8 -84.0-133.9 164.2 -0.7 51.9 27.4 155 155 A A - 0 0 79 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.418 52.0-109.9 -61.2 128.7 -4.2 52.9 28.1 156 156 A P + 0 0 77 0, 0.0 4,-0.2 0, 0.0 2,-0.1 -0.409 56.7 144.2 -56.6 144.9 -6.3 52.5 24.9 157 157 A A S S- 0 0 76 2,-3.0 4,-0.0 -3,-0.1 -3,-0.0 -0.330 73.8 -16.7-146.5-124.7 -7.4 55.9 23.5 158 158 A E S S+ 0 0 198 -2,-0.1 2,-0.2 2,-0.0 3,-0.0 0.934 141.3 35.4 -58.9 -41.1 -7.8 57.1 20.0 159 159 A K S S- 0 0 138 1,-0.1 -2,-3.0 2,-0.0 0, 0.0 -0.703 90.5-118.4-110.8 159.1 -5.8 54.0 19.1 160 160 A L - 0 0 79 -2,-0.2 -6,-0.2 -4,-0.2 -1,-0.1 0.886 33.0-148.5 -65.2 -30.7 -5.8 50.7 20.8 161 161 A N + 0 0 25 1,-0.2 -8,-1.1 -5,-0.1 -7,-0.7 0.859 33.7 167.0 58.4 34.7 -2.2 51.1 21.8 162 162 A N B >> -K 152 0E 21 -10,-0.2 4,-1.2 -9,-0.1 3,-0.9 -0.401 51.7-102.5 -70.6 155.4 -1.6 47.3 21.5 163 163 A W H >> S+ 0 0 0 -12,-2.6 4,-3.1 -15,-0.3 3,-0.7 0.860 119.9 60.3 -48.4 -44.5 2.0 46.0 21.6 164 164 A S H 3> S+ 0 0 22 -15,-1.9 4,-0.9 1,-0.3 7,-0.3 0.877 107.4 48.6 -52.2 -42.6 2.0 45.3 17.7 165 165 A Q H <4 S+ 0 0 67 -3,-0.9 -1,-0.3 -16,-0.4 -2,-0.2 0.775 121.5 31.7 -66.1 -31.8 1.4 49.1 17.3 166 166 A L H << S+ 0 0 29 -4,-1.2 -2,-0.2 -3,-0.7 45,-0.2 0.712 126.5 31.9-104.1 -22.1 4.1 50.2 19.7 167 167 A A H < S+ 0 0 0 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.365 85.6 111.3-122.7 4.6 6.8 47.7 19.5 168 168 A S S X S- 0 0 1 -4,-0.9 4,-1.5 -5,-0.3 -43,-0.2 -0.277 70.6-121.5 -85.8 164.6 7.0 46.2 15.9 169 169 A T H > S+ 0 0 21 -45,-1.5 4,-2.8 -43,-0.3 -44,-0.2 0.917 114.5 55.3 -62.6 -40.9 9.6 46.6 13.2 170 170 A G H > S+ 0 0 3 -46,-1.9 4,-3.0 1,-0.2 -45,-0.2 0.859 108.5 46.8 -61.3 -35.8 6.8 48.0 10.9 171 171 A N H > S+ 0 0 65 -7,-0.3 4,-1.5 -46,-0.2 -1,-0.2 0.850 109.8 51.5 -84.2 -24.6 5.9 50.7 13.4 172 172 A X H X S+ 0 0 10 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.922 114.5 45.5 -66.2 -46.9 9.6 51.7 13.9 173 173 A V H X S+ 0 0 10 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.953 110.3 53.9 -57.9 -49.8 9.9 52.0 10.1 174 174 A R H X S+ 0 0 111 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.854 109.8 49.3 -58.8 -34.3 6.5 53.9 9.9 175 175 A Y H X S+ 0 0 44 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.890 111.9 44.5 -74.8 -43.8 7.9 56.4 12.5 176 176 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.894 112.4 54.7 -67.2 -37.6 11.2 57.1 10.8 177 177 A I H X S+ 0 0 39 -4,-2.9 4,-1.6 1,-0.2 5,-0.4 0.977 109.0 48.7 -57.5 -50.4 9.3 57.4 7.5 178 178 A E H < S+ 0 0 159 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.815 120.6 33.8 -59.4 -36.8 7.0 60.1 9.0 179 179 A K H < S+ 0 0 118 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.864 115.8 52.7 -92.8 -36.7 9.8 62.2 10.5 180 180 A S H < S- 0 0 39 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.787 103.3-132.7 -64.8 -22.2 12.5 61.7 7.8 181 181 A G S < S+ 0 0 66 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.1 0.428 73.4 77.3 80.1 2.4 9.8 62.7 5.2 182 182 A H S S- 0 0 86 -5,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 -0.965 71.9-132.9-144.9 165.8 10.6 59.8 2.9 183 183 A T + 0 0 112 -2,-0.3 2,-1.7 1,-0.1 -6,-0.1 0.194 68.5 109.6-103.8 10.6 9.9 56.1 2.5 184 184 A D + 0 0 115 -7,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.617 59.6 106.5 -90.9 76.1 13.3 54.6 1.6 185 185 A W + 0 0 29 -2,-1.7 2,-0.3 4,-0.0 3,-0.1 -0.989 35.9 168.5-145.4 149.7 13.8 52.9 5.0 186 186 A D > - 0 0 87 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.923 51.4 -92.9-146.5-179.1 13.8 49.5 6.5 187 187 A G H > S+ 0 0 11 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.927 123.8 51.8 -61.0 -41.3 14.8 48.1 9.9 188 188 A R H > S+ 0 0 149 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.881 111.2 46.6 -68.4 -33.5 18.2 47.2 8.7 189 189 A K H > S+ 0 0 47 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.834 105.7 59.4 -71.4 -36.8 18.9 50.7 7.3 190 190 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.929 105.8 50.1 -55.6 -43.2 17.6 52.3 10.4 191 191 A Y H X S+ 0 0 26 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.881 110.7 47.9 -60.9 -42.1 20.3 50.4 12.2 192 192 A Q H X S+ 0 0 108 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.956 113.4 47.2 -67.2 -46.6 23.1 51.5 9.8 193 193 A E H <>S+ 0 0 67 -4,-3.0 5,-2.2 2,-0.2 3,-0.4 0.872 110.6 51.3 -64.2 -37.5 22.1 55.2 10.0 194 194 A A H ><5S+ 0 0 10 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.879 109.1 51.9 -65.2 -39.2 21.9 55.2 13.8 195 195 A A H 3<5S+ 0 0 93 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.809 106.2 56.4 -63.4 -26.8 25.3 53.7 13.9 196 196 A A T 3<5S- 0 0 76 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.361 130.9 -88.5 -88.4 0.4 26.5 56.6 11.6 197 197 A G T < 5S+ 0 0 40 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.114 74.1 152.8 116.0 -22.3 25.3 59.3 13.9 198 198 A N >< - 0 0 55 -5,-2.2 4,-1.8 1,-0.1 3,-0.4 -0.216 28.5-161.9 -57.7 107.9 21.7 59.7 12.7 199 199 A I H > S+ 0 0 103 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.810 82.8 53.8 -61.8 -41.8 19.7 60.9 15.7 200 200 A L H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.856 110.3 48.0 -68.2 -34.7 16.2 60.1 14.6 201 201 A C H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.899 107.6 56.3 -65.6 -47.7 17.1 56.4 13.9 202 202 A Q H X S+ 0 0 78 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.908 112.4 43.2 -48.3 -45.6 18.8 56.2 17.4 203 203 A E H X S+ 0 0 101 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.819 108.5 54.9 -73.1 -40.3 15.6 57.3 18.9 204 204 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.929 112.0 47.6 -54.3 -45.3 13.3 55.1 16.8 205 205 A I H X S+ 0 0 26 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.879 110.2 51.1 -64.6 -38.7 15.5 52.2 18.0 206 206 A E H X S+ 0 0 99 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.869 111.9 46.3 -72.7 -36.7 15.4 53.3 21.7 207 207 A R H X S+ 0 0 86 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.845 113.3 50.9 -70.1 -37.9 11.6 53.5 21.7 208 208 A X H X S+ 0 0 4 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.981 113.4 42.7 -65.4 -53.9 11.4 50.2 20.0 209 209 A N H X S+ 0 0 11 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.837 113.8 51.8 -61.7 -37.7 13.6 48.4 22.4 210 210 A R H X S+ 0 0 98 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.873 111.7 46.2 -70.4 -37.4 12.0 50.0 25.5 211 211 A N H X S+ 0 0 18 -4,-2.0 4,-1.7 -3,-0.2 -2,-0.2 0.876 113.6 49.5 -71.5 -39.3 8.5 49.1 24.4 212 212 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.939 109.5 52.0 -59.9 -49.2 9.6 45.5 23.6 213 213 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.890 109.4 50.0 -59.1 -32.3 11.3 45.3 27.1 214 214 A Q H X S+ 0 0 58 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.928 114.3 43.2 -74.0 -43.9 8.1 46.4 28.8 215 215 A G H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.873 110.2 56.7 -72.7 -35.3 6.0 43.9 27.0 216 216 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.850 105.1 51.9 -65.3 -38.4 8.7 41.0 27.5 217 217 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.795 106.5 55.5 -62.4 -32.4 8.6 41.4 31.3 218 218 A N H X S+ 0 0 46 -4,-1.1 4,-1.7 -3,-0.2 5,-0.2 0.928 108.1 46.9 -64.0 -42.5 4.9 41.1 31.1 219 219 A I H X>S+ 0 0 5 -4,-1.6 4,-2.7 2,-0.2 5,-0.9 0.949 111.9 51.8 -65.7 -48.9 5.2 37.8 29.3 220 220 A Q H X5S+ 0 0 10 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.901 115.6 40.3 -54.7 -48.7 7.8 36.6 31.9 221 221 A Y H <5S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.683 118.9 46.4 -80.8 -13.7 5.6 37.5 34.8 222 222 A L H <5S+ 0 0 137 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.876 134.2 8.0 -92.5 -40.9 2.4 36.3 33.2 223 223 A I H <5S- 0 0 51 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.562 85.9-143.9-113.4 -14.1 3.3 32.8 31.8 224 224 A D << - 0 0 106 -5,-0.9 -4,-0.2 -4,-0.9 -3,-0.1 0.912 24.1-169.5 49.4 66.3 6.8 32.5 33.3 225 225 A P - 0 0 5 0, 0.0 -107,-0.2 0, 0.0 38,-0.2 -0.356 31.2-124.8 -75.2 153.3 8.6 30.7 30.3 226 226 A G S S+ 0 0 51 -109,-2.9 2,-0.3 1,-0.2 37,-0.3 0.859 95.0 3.4 -62.2 -35.8 12.1 29.2 30.7 227 227 A V E -h 118 0D 11 -110,-0.8 -108,-1.8 35,-0.1 2,-0.5 -0.991 62.1-142.6-146.3 147.8 13.2 31.3 27.7 228 228 A I E -hj 119 264D 0 35,-3.6 37,-1.9 -2,-0.3 2,-0.4 -0.987 21.9-159.8-110.5 119.2 11.7 34.0 25.3 229 229 A S E -hj 120 265D 2 -110,-2.5 -108,-2.8 -2,-0.5 2,-0.5 -0.814 6.0-147.1 -92.3 136.4 12.9 33.6 21.7 230 230 A L E +hj 121 266D 0 35,-2.5 37,-3.9 -2,-0.4 -108,-0.2 -0.909 23.6 174.9-105.5 130.1 12.6 36.6 19.4 231 231 A G E +h 122 0D 0 -110,-2.8 -108,-2.8 -2,-0.5 4,-0.2 -0.613 28.7 79.8-123.8-174.0 11.9 35.8 15.7 232 232 A G S >> S- 0 0 9 -110,-0.3 3,-0.9 37,-0.2 4,-0.6 -0.127 94.5 -62.8 88.9 165.3 11.2 37.8 12.5 233 233 A S G >4 S+ 0 0 83 1,-0.2 3,-1.2 -110,-0.2 -1,-0.1 0.869 130.6 55.0 -51.2 -44.5 13.9 39.5 10.4 234 234 A I G >4 S+ 0 0 11 -111,-0.6 3,-2.1 1,-0.3 6,-0.3 0.871 96.5 64.9 -67.6 -26.2 15.1 42.0 13.0 235 235 A S G <4 S+ 0 0 2 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.734 87.9 72.0 -70.5 -19.7 15.9 39.3 15.5 236 236 A Q G << S+ 0 0 86 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.447 82.3 84.2 -66.6 -3.3 18.5 38.0 13.1 237 237 A N X> - 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