==== 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 LIGASE 18-NOV-09 3KRE . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE S . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS STR. ARKANSAS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 19 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.4 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 1 0 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 3 2 3 0 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 1 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 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 5 A E 0 0 166 0, 0.0 12,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 110.9 35.0 -4.6 -4.7 2 6 A K E +A 12 0A 120 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.582 360.0 173.9 -80.4 132.5 33.5 -5.4 -1.3 3 7 A I E S- 0 0 72 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.657 72.3 -1.4-100.2 -33.2 34.5 -3.1 1.6 4 8 A Y E -A 11 0A 126 7,-1.3 7,-3.0 2,-0.0 -1,-0.4 -0.974 54.1-164.8-157.9 146.1 32.2 -4.7 4.3 5 9 A E E +A 10 0A 81 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.964 15.6 175.3-138.5 122.5 29.6 -7.4 4.5 6 10 A G - 0 0 18 3,-2.4 -2,-0.0 -2,-0.4 5,-0.0 -0.215 53.7 -72.0-106.0-158.2 27.2 -7.6 7.4 7 11 A K S S+ 0 0 80 1,-0.2 20,-0.1 -2,-0.1 3,-0.1 0.878 125.6 9.1 -72.4 -31.7 24.4 -9.9 8.1 8 12 A A S S+ 0 0 13 18,-0.1 17,-2.7 1,-0.1 2,-0.3 0.433 122.3 48.4-126.7 -8.7 22.0 -8.4 5.4 9 13 A K E - B 0 24A 22 15,-0.2 -3,-2.4 17,-0.1 2,-0.4 -0.923 55.8-149.5-138.2 156.5 23.9 -5.9 3.4 10 14 A I E -AB 5 23A 14 13,-2.4 13,-3.1 -2,-0.3 2,-0.6 -0.987 13.6-146.6-121.5 135.8 27.2 -5.6 1.4 11 15 A I E -AB 4 22A 30 -7,-3.0 -8,-3.0 -2,-0.4 -7,-1.3 -0.941 20.0-165.2-100.8 123.0 29.0 -2.2 1.1 12 16 A F E -AB 2 21A 47 9,-2.6 9,-2.8 -2,-0.6 -10,-0.2 -0.852 16.9-120.5-106.6 144.2 30.8 -1.9 -2.3 13 17 A A E - B 0 20A 26 -12,-3.2 2,-0.3 -2,-0.4 7,-0.2 -0.340 24.1-160.8 -67.5 160.1 33.5 0.5 -3.3 14 18 A T - 0 0 41 5,-0.6 5,-0.1 2,-0.4 -1,-0.0 -0.820 39.7 -96.3-126.0 175.4 33.0 2.9 -6.2 15 19 A L S S+ 0 0 184 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 0.748 112.2 77.6 -64.3 -22.3 35.6 4.9 -8.3 16 20 A N S > S- 0 0 64 3,-0.2 3,-2.0 1,-0.1 -2,-0.4 -0.829 77.4-151.6 -85.7 114.4 34.8 7.8 -6.0 17 21 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.672 93.8 51.4 -62.0 -15.9 36.6 7.1 -2.6 18 22 A L T 3 S+ 0 0 100 60,-0.1 61,-2.6 1,-0.0 2,-0.4 0.387 103.0 65.6-104.5 2.7 34.0 9.1 -0.7 19 23 A E E < - C 0 78A 56 -3,-2.0 -5,-0.6 59,-0.2 2,-0.3 -0.991 59.9-179.4-125.3 137.8 30.9 7.3 -2.1 20 24 A V E -BC 13 77A 10 57,-3.0 57,-3.0 -2,-0.4 2,-0.5 -0.844 26.9-116.8-129.8 163.0 30.0 3.6 -1.6 21 25 A I E -BC 12 76A 31 -9,-2.8 -9,-2.6 -2,-0.3 2,-0.7 -0.908 16.6-151.4-103.8 125.4 27.1 1.4 -2.7 22 26 A Q E -BC 11 75A 4 53,-3.1 53,-1.9 -2,-0.5 2,-0.5 -0.900 18.4-166.7 -94.8 115.8 24.9 -0.1 -0.1 23 27 A H E -BC 10 74A 37 -13,-3.1 -13,-2.4 -2,-0.7 2,-0.6 -0.927 11.0-142.1-112.7 121.8 23.6 -3.4 -1.5 24 28 A F E -B 9 0A 2 49,-3.1 -15,-0.2 -2,-0.5 2,-0.1 -0.781 16.0-159.7 -89.0 118.5 20.7 -5.2 0.1 25 29 A K - 0 0 16 -17,-2.7 -17,-0.0 -2,-0.6 -18,-0.0 -0.340 24.9-124.3 -83.1 172.3 20.9 -9.0 0.3 26 30 A D S S+ 0 0 20 16,-0.2 13,-2.9 17,-0.1 16,-0.2 0.389 73.6 117.8 -99.9 6.2 18.0 -11.4 0.7 27 31 A E E -E 38 0B 73 11,-0.2 2,-0.3 -19,-0.1 11,-0.2 -0.432 42.0-174.3 -68.8 141.0 19.7 -13.0 3.8 28 32 A I E -E 37 0B 2 9,-2.4 9,-2.1 -2,-0.1 2,-0.3 -0.985 2.6-177.9-132.1 143.6 17.9 -12.8 7.1 29 33 A T E -E 36 0B 11 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.983 1.1-176.6-137.5 153.8 19.3 -13.9 10.4 30 34 A A E >> +E 35 0B 5 5,-2.3 5,-1.8 -2,-0.3 4,-1.1 -0.963 55.3 29.5-143.1 162.6 18.0 -14.0 14.0 31 35 A F T >45S- 0 0 104 -2,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.941 131.5 -48.0 58.8 57.3 19.1 -14.9 17.6 32 36 A N T 345S- 0 0 112 1,-0.3 -1,-0.2 -3,-0.1 92,-0.0 0.856 111.9 -52.2 49.7 43.3 22.8 -14.2 17.2 33 37 A N T 345S+ 0 0 86 2,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.697 105.2 124.9 66.2 25.0 22.8 -16.2 13.9 34 38 A K T <<5S+ 0 0 90 -3,-1.4 2,-0.4 -4,-1.1 -3,-0.2 0.735 79.9 39.2 -72.7 -21.4 21.3 -19.3 15.4 35 39 A K E - 0 0 27 -13,-2.9 3,-2.5 -2,-0.6 4,-0.4 -0.894 26.9-129.4-112.7 98.0 13.8 -14.5 1.8 40 44 A H T 3 S+ 0 0 139 -2,-0.6 -15,-0.0 1,-0.3 182,-0.0 -0.187 87.3 8.0 -55.4 133.3 13.6 -13.8 -1.9 41 45 A E T 3> S+ 0 0 50 1,-0.1 4,-2.4 3,-0.0 3,-0.3 0.229 90.3 117.3 80.8 -7.4 13.1 -10.1 -2.6 42 46 A K H <> S+ 0 0 2 -3,-2.5 4,-2.6 1,-0.2 5,-0.2 0.902 77.3 49.8 -59.8 -39.7 13.5 -8.9 1.1 43 47 A G H > S+ 0 0 0 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.847 107.6 52.7 -66.8 -36.2 16.5 -6.9 0.1 44 48 A I H > S+ 0 0 16 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.945 112.6 44.5 -62.4 -49.0 14.8 -5.2 -2.7 45 49 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.923 113.5 50.4 -64.5 -38.9 11.9 -4.1 -0.5 46 50 A N H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.2 5,-0.3 0.916 109.4 52.2 -65.3 -39.6 14.3 -3.0 2.3 47 51 A N H X S+ 0 0 0 -4,-2.5 4,-2.5 25,-0.2 5,-0.2 0.950 114.0 42.4 -57.7 -52.1 16.3 -1.0 -0.3 48 52 A Y H X S+ 0 0 24 -4,-2.4 4,-2.2 24,-0.3 -2,-0.2 0.925 117.0 46.8 -62.8 -45.5 13.1 0.8 -1.4 49 53 A I H X S+ 0 0 1 -4,-3.1 4,-2.8 -5,-0.2 5,-0.2 0.937 115.1 46.0 -64.1 -46.1 11.7 1.3 2.1 50 54 A S H X S+ 0 0 0 -4,-3.2 4,-3.3 -5,-0.2 5,-0.2 0.936 113.0 47.8 -65.0 -47.7 15.0 2.6 3.5 51 55 A S H X S+ 0 0 9 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.925 114.2 50.0 -56.5 -43.6 15.7 5.0 0.6 52 56 A F H X S+ 0 0 52 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.922 114.6 41.9 -58.9 -52.8 12.1 6.2 0.9 53 57 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 140,-0.3 -2,-0.2 0.872 110.7 56.4 -67.7 -36.3 12.3 6.8 4.7 54 58 A M H X S+ 0 0 0 -4,-3.3 4,-3.1 -5,-0.2 -2,-0.2 0.954 109.2 47.7 -57.0 -48.4 15.8 8.3 4.5 55 59 A K H X S+ 0 0 102 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.884 108.7 53.4 -62.7 -39.9 14.4 10.9 2.1 56 60 A K H X S+ 0 0 85 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.889 112.2 45.8 -58.4 -38.6 11.4 11.6 4.4 57 61 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 3,-1.0 0.919 110.0 52.9 -72.8 -42.1 13.9 12.2 7.2 58 62 A I H ><5S+ 0 0 60 -4,-3.1 3,-2.2 1,-0.2 -2,-0.2 0.903 102.3 60.5 -55.9 -41.8 16.1 14.4 4.9 59 63 A D H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.748 105.7 48.0 -58.1 -27.1 13.0 16.5 4.1 60 64 A K T <<5S- 0 0 128 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.248 129.3 -95.3 -97.9 10.8 12.7 17.3 7.8 61 65 A G T < 5S+ 0 0 52 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.536 73.2 146.7 92.4 10.3 16.4 18.2 8.1 62 66 A I < - 0 0 6 -5,-2.2 2,-0.4 -8,-0.1 -1,-0.3 -0.654 47.3-129.2 -77.7 130.8 17.9 15.0 9.4 63 67 A K + 0 0 99 -2,-0.4 126,-2.8 124,-0.3 2,-0.3 -0.708 39.0 169.1 -80.3 132.1 21.4 14.5 8.1 64 68 A T B -f 189 0C 10 -2,-0.4 126,-0.2 124,-0.3 14,-0.1 -0.879 48.1-116.8-139.4 168.7 21.9 11.0 6.5 65 69 A H S S+ 0 0 8 124,-2.7 13,-2.5 -2,-0.3 2,-0.2 0.514 74.1 121.4 -82.0 -1.4 24.3 9.0 4.4 66 70 A F E +D 77 0A 37 123,-0.3 11,-0.2 11,-0.2 -2,-0.2 -0.391 23.3 157.1 -76.2 128.3 21.8 8.7 1.6 67 71 A I E - 0 0 66 9,-2.6 2,-0.3 1,-0.3 10,-0.2 0.761 61.7 -23.7-107.0 -56.3 22.8 10.1 -1.8 68 72 A S E -D 76 0A 52 8,-1.8 8,-3.1 0, 0.0 2,-0.5 -0.990 52.4-111.8-159.2 150.2 20.7 8.3 -4.5 69 73 A L E +D 75 0A 59 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.760 34.3 178.8 -81.5 125.9 18.7 5.2 -5.2 70 74 A L - 0 0 81 4,-2.0 2,-0.2 -2,-0.5 5,-0.2 0.855 52.5 -35.8 -97.1 -45.3 20.6 3.3 -7.9 71 75 A N S S- 0 0 74 3,-1.7 3,-0.4 -27,-0.0 -1,-0.3 -0.890 81.8 -56.4-164.5-170.9 18.6 0.1 -8.7 72 76 A Q S S+ 0 0 118 -2,-0.2 -24,-0.3 1,-0.2 -25,-0.2 0.796 132.7 20.5 -56.3 -32.4 16.4 -2.6 -7.1 73 77 A R S S+ 0 0 53 -26,-0.1 -49,-3.1 -27,-0.1 2,-0.4 0.509 116.0 67.8-113.4 -8.4 19.0 -3.6 -4.5 74 78 A E E -C 23 0A 38 -3,-0.4 -4,-2.0 -51,-0.2 -3,-1.7 -0.897 43.0-179.3-131.9 145.3 21.4 -0.7 -4.3 75 79 A Q E -CD 22 69A 0 -53,-1.9 -53,-3.1 -2,-0.4 2,-0.5 -0.977 30.6-120.9-134.8 150.3 21.7 2.9 -3.1 76 80 A L E +CD 21 68A 24 -8,-3.1 -9,-2.6 -2,-0.3 -8,-1.8 -0.790 40.5 174.2 -87.7 128.7 24.6 5.3 -3.3 77 81 A V E -CD 20 66A 3 -57,-3.0 -57,-3.0 -2,-0.5 -11,-0.2 -0.930 35.6 -90.6-137.4 160.2 25.6 6.5 0.1 78 82 A K E -C 19 0A 74 -13,-2.5 2,-0.8 -2,-0.3 -59,-0.2 -0.425 39.8-119.6 -64.4 139.9 28.3 8.7 1.7 79 83 A K + 0 0 96 -61,-2.6 101,-0.6 -2,-0.1 2,-0.3 -0.744 52.2 158.5 -81.1 115.3 31.4 6.8 2.9 80 84 A I E -G 179 0C 24 -2,-0.8 2,-0.6 99,-0.2 99,-0.2 -0.873 47.2-105.1-133.8 162.1 31.4 7.5 6.7 81 85 A T E -G 178 0C 101 97,-2.7 97,-2.4 -2,-0.3 2,-0.3 -0.846 39.0-134.7 -90.0 122.2 32.9 6.0 9.8 82 86 A I E -G 177 0C 71 -2,-0.6 95,-0.3 95,-0.3 93,-0.0 -0.603 10.4-128.8 -82.3 132.6 30.2 4.3 11.8 83 87 A I - 0 0 14 93,-2.6 2,-2.0 -2,-0.3 93,-0.3 -0.659 26.3-122.3 -74.1 133.3 30.0 4.9 15.5 84 88 A P S S+ 0 0 45 0, 0.0 35,-2.4 0, 0.0 2,-0.4 -0.090 77.4 103.3 -85.8 48.8 29.9 1.5 17.1 85 89 A I E -I 118 0D 3 -2,-2.0 2,-0.5 91,-0.3 91,-0.4 -0.965 57.1-151.1-122.2 138.6 26.6 2.1 19.0 86 90 A E E -I 117 0D 25 31,-2.6 31,-2.3 -2,-0.4 2,-0.6 -0.950 15.0-152.0-103.3 127.6 23.1 0.9 18.1 87 91 A V E -IJ 116 174D 0 87,-2.8 87,-2.8 -2,-0.5 2,-0.5 -0.918 9.9-163.9-101.2 120.5 20.4 3.3 19.4 88 92 A V E -IJ 115 173D 16 27,-3.4 27,-2.8 -2,-0.6 2,-0.5 -0.937 2.5-166.3-109.2 126.8 17.2 1.5 20.1 89 93 A I E -IJ 114 172D 0 83,-2.7 83,-1.9 -2,-0.5 2,-0.5 -0.962 7.6-163.8-113.9 124.1 14.0 3.7 20.5 90 94 A R E +IJ 113 171D 13 23,-2.3 23,-2.6 -2,-0.5 81,-0.3 -0.946 25.8 166.6-119.2 127.1 11.0 2.0 22.0 91 95 A N E S+ 0 0 19 79,-3.1 18,-2.1 -2,-0.5 2,-0.3 0.743 81.3 18.2 -98.5 -39.9 7.4 3.2 21.9 92 96 A L E S-I 108 0D 20 78,-1.7 -1,-0.3 16,-0.2 2,-0.3 -0.908 95.0 -93.5-123.2 159.9 5.8 -0.1 23.1 93 97 A A + 0 0 0 14,-2.6 13,-3.4 -2,-0.3 2,-0.3 -0.554 60.8 140.7 -70.3 133.5 7.4 -3.0 24.9 94 98 A A >> + 0 0 0 -2,-0.3 4,-1.4 11,-0.2 3,-1.2 -0.957 42.6 7.9-158.6 172.7 8.6 -5.8 22.6 95 99 A G H 3> S- 0 0 8 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 -0.116 123.7 -9.9 58.5-136.4 11.4 -8.3 22.0 96 100 A N H 3> S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.705 131.6 64.4 -74.4 -21.6 14.0 -8.7 24.7 97 101 A F H <> S+ 0 0 13 -3,-1.2 4,-1.9 2,-0.2 6,-0.2 0.966 105.2 44.8 -62.2 -53.8 12.7 -5.6 26.6 98 102 A S H X>S+ 0 0 7 -4,-1.4 5,-1.8 1,-0.2 4,-0.7 0.904 115.5 48.9 -54.2 -44.2 9.4 -7.4 27.2 99 103 A K H ><5S+ 0 0 113 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.933 112.5 44.2 -66.5 -48.0 11.2 -10.6 28.2 100 104 A R H 3<5S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.743 123.3 35.3 -76.5 -21.2 13.7 -9.1 30.7 101 105 A F H 3<5S- 0 0 99 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.390 104.0-127.6-103.9 -0.4 11.2 -6.8 32.5 102 106 A Q T <<5 + 0 0 167 -4,-0.7 2,-0.4 -3,-0.5 -3,-0.2 0.933 58.7 146.7 46.8 54.2 8.4 -9.3 32.2 103 107 A I < - 0 0 61 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.957 55.3-102.1-116.3 134.4 6.1 -6.7 30.6 104 108 A A > - 0 0 73 -2,-0.4 3,-2.0 1,-0.1 -11,-0.3 -0.300 40.3 -98.6 -62.4 135.4 3.6 -7.8 28.0 105 109 A D T 3 S+ 0 0 74 1,-0.2 -11,-0.2 -13,-0.1 -1,-0.1 -0.304 111.4 29.5 -45.6 130.7 4.4 -7.2 24.3 106 110 A G T 3 S+ 0 0 22 -13,-3.4 -1,-0.2 1,-0.3 -12,-0.1 0.343 76.8 147.1 93.2 -4.1 2.6 -4.0 23.2 107 111 A T < - 0 0 53 -3,-2.0 -14,-2.6 -14,-0.2 -1,-0.3 -0.513 46.6-130.9 -62.2 122.0 2.5 -2.3 26.6 108 112 A P E -I 92 0D 93 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.488 12.9-136.5 -78.3 145.3 2.7 1.4 25.7 109 113 A F E - 0 0 42 -18,-2.1 4,-0.0 -2,-0.2 0, 0.0 -0.719 14.1-129.2 -96.8 153.7 5.2 3.7 27.4 110 114 A K E S+ 0 0 219 -2,-0.3 -1,-0.1 1,-0.2 -19,-0.0 0.843 97.8 6.5 -68.5 -34.9 4.3 7.1 28.7 111 115 A S E S- 0 0 80 -21,-0.1 -1,-0.2 -3,-0.0 -21,-0.1 -0.983 99.6 -83.2-143.3 152.9 7.3 8.4 26.8 112 116 A P E - 0 0 49 0, 0.0 2,-0.6 0, 0.0 -21,-0.2 -0.243 39.2-137.5 -60.4 147.3 9.7 6.7 24.4 113 117 A I E -I 90 0D 53 -23,-2.6 -23,-2.3 -21,-0.1 2,-0.5 -0.917 12.4-160.2-110.1 119.9 12.6 4.7 25.8 114 118 A I E -I 89 0D 37 -2,-0.6 2,-0.4 -25,-0.2 -25,-0.2 -0.821 10.8-178.9 -96.4 130.8 16.1 5.0 24.3 115 119 A E E -I 88 0D 12 -27,-2.8 -27,-3.4 -2,-0.5 2,-0.4 -0.984 14.6-143.9-126.9 144.2 18.6 2.2 25.0 116 120 A F E -IK 87 128D 11 12,-0.5 12,-2.2 -2,-0.4 2,-0.4 -0.867 14.3-172.9-109.3 140.2 22.2 2.1 23.8 117 121 A Y E -IK 86 127D 34 -31,-2.3 -31,-2.6 -2,-0.4 2,-0.5 -0.981 27.0-123.6-130.9 142.7 24.1 -1.0 22.7 118 122 A Y E -I 85 0D 60 8,-3.0 2,-0.9 -2,-0.4 -33,-0.2 -0.747 32.9-126.4 -78.0 124.4 27.7 -1.6 21.8 119 123 A K + 0 0 65 -35,-2.4 2,-0.3 -2,-0.5 -1,-0.0 -0.650 57.8 131.8 -81.5 106.9 27.7 -3.1 18.2 120 124 A N > - 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0 0 4 -19,-0.1 2,-0.5 2,-0.1 -19,-0.1 -0.948 25.7-144.9-140.3 160.3 19.0 1.2 7.0 193 197 A I + 0 0 0 -2,-0.3 -140,-0.3 -147,-0.2 -139,-0.2 -0.935 57.7 112.4-122.9 103.7 15.5 2.1 8.1 194 198 A S S >> S- 0 0 0 -2,-0.5 3,-2.0 -145,-0.1 4,-1.2 -0.898 85.2 -73.4-155.9-179.6 13.4 -0.9 7.2 195 199 A P T 34 S+ 0 0 1 0, 0.0 16,-2.5 0, 0.0 17,-0.2 0.639 126.2 63.6 -65.6 -9.3 11.3 -3.9 8.5 196 200 A D T 34 S+ 0 0 18 14,-0.2 3,-0.1 1,-0.1 14,-0.0 0.680 116.8 27.2 -77.4 -20.8 14.7 -5.4 9.4 197 201 A T T <4 S+ 0 0 19 -3,-2.0 -24,-2.2 1,-0.1 2,-0.4 0.396 116.9 59.8-123.8 -1.2 15.3 -2.6 11.9 198 202 A C E < S-L 172 0D 3 -4,-1.2 2,-0.5 -26,-0.2 13,-0.3 -0.997 70.6-134.8-129.8 133.9 11.8 -1.4 12.9 199 203 A R E -L 171 0D 31 -28,-2.5 -29,-2.3 -2,-0.4 -28,-0.9 -0.811 32.9-175.5 -84.7 130.2 9.0 -3.3 14.6 200 204 A L E -L 169 0D 1 -2,-0.5 9,-2.9 -31,-0.2 10,-0.5 -0.988 7.5-173.6-137.1 115.5 5.9 -2.4 12.7 201 205 A W E -LM 168 208D 17 -33,-2.3 -33,-3.3 -2,-0.4 7,-0.2 -0.944 31.6-115.0-117.4 137.2 2.4 -3.5 13.6 202 206 A D E > -L 167 0D 16 5,-2.8 4,-2.1 -2,-0.4 -35,-0.2 -0.448 28.7-138.9 -61.2 130.6 -0.8 -3.0 11.6 203 207 A I T 4 S+ 0 0 74 -37,-2.4 -1,-0.1 1,-0.2 -36,-0.1 0.923 94.8 46.3 -66.6 -42.5 -2.9 -0.7 13.9 204 208 A S T 4 S+ 0 0 105 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.840 130.0 18.6 -70.5 -34.0 -6.3 -2.4 13.4 205 209 A T T 4 S- 0 0 86 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.545 90.8-125.9-114.1 -14.2 -5.2 -6.0 13.9 206 210 A N < + 0 0 106 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.662 51.1 163.5 61.5 19.9 -1.8 -5.8 15.6 207 211 A K - 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0 0 76 -5,-2.5 -4,-0.2 -6,-0.3 -1,-0.1 0.530 45.7-137.5 -87.0 -9.1 4.8 -16.6 11.6 219 223 A G S S+ 0 0 31 -6,-0.8 -1,-0.2 -5,-0.1 -3,-0.1 -0.038 76.9 78.7 71.3 175.1 5.1 -17.1 7.8 220 224 A N > + 0 0 93 3,-0.1 4,-1.6 1,-0.1 5,-0.1 0.877 53.2 153.4 54.6 41.1 4.3 -14.5 5.2 221 225 A V H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.973 71.1 43.2 -63.8 -51.0 7.5 -12.7 5.8 222 226 A I H > S+ 0 0 23 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.891 109.8 58.4 -67.3 -35.6 7.8 -11.2 2.4 223 227 A E H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.865 105.4 50.1 -59.4 -38.2 4.1 -10.3 2.4 224 228 A G H X S+ 0 0 4 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.961 112.4 45.7 -66.1 -46.1 4.6 -8.2 5.6 225 229 A Y H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.899 113.6 50.7 -63.9 -38.5 7.6 -6.3 4.1 226 230 A R H X S+ 0 0 68 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.883 106.2 54.7 -67.8 -38.0 5.6 -5.8 0.9 227 231 A E H X S+ 0 0 61 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.925 108.5 48.8 -57.8 -43.5 2.6 -4.5 2.8 228 232 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 -19,-0.2 -2,-0.2 0.957 113.3 47.9 -61.7 -47.5 4.9 -1.9 4.4 229 233 A A H X>S+ 0 0 1 -4,-2.3 5,-2.3 1,-0.2 4,-1.0 0.907 113.3 47.4 -59.6 -43.0 6.3 -1.0 1.0 230 234 A H H ><5S+ 0 0 118 -4,-3.0 3,-0.6 2,-0.2 -1,-0.2 0.925 111.8 48.2 -64.4 -47.9 2.8 -0.7 -0.5 231 235 A K H 3<5S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 115.3 46.1 -63.5 -34.0 1.4 1.4 2.2 232 236 A L H 3<5S- 0 0 12 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.660 103.4-132.0 -75.9 -17.1 4.4 3.7 2.1 233 237 A N T <<5 + 0 0 133 -4,-1.0 -3,-0.2 -3,-0.6 -4,-0.1 0.891 57.7 147.0 58.3 43.9 4.2 3.9 -1.8 234 238 A A < + 0 0 8 -5,-2.3 -4,-0.1 -6,-0.2 -182,-0.1 0.560 33.4 91.2 -86.7 -14.1 8.0 3.2 -1.6 235 239 A I S S- 0 0 58 -6,-0.4 -190,-0.0 -5,-0.1 2,-0.0 -0.772 72.9-134.8 -90.6 121.1 8.4 1.2 -4.8 236 240 A P 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -188,-0.0 -0.307 360.0 360.0 -69.6 158.5 9.2 3.3 -7.9 237 241 A N 0 0 218 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.316 360.0 360.0 -70.0 360.0 7.6 2.9 -11.3