==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 29-JUN-07 2QGM . COMPND 2 MOLECULE: SUCCINOGLYCAN BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 14579; . AUTHOR A.P.KUZIN,M.ABASHIDZE,S.JAYARAMAN,H.WANG,Y.FANG,M.MAGLAQUI, . 392 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 3 0 0 2 1 2 0 0 1 1 1 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 1 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 PARALLEL BRIDGES PER LADDER . 2 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 33 A S 0 0 115 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.2 -19.9 37.6 31.9 2 34 A G - 0 0 36 1,-0.2 2,-0.7 2,-0.1 3,-0.3 0.471 360.0 -40.6 -59.6-153.2 -18.5 36.1 28.7 3 35 A Q S S- 0 0 152 1,-0.2 -1,-0.2 2,-0.1 5,-0.1 -0.708 113.8 -36.7 -85.1 113.8 -19.8 33.2 26.6 4 36 A S S > S- 0 0 96 -2,-0.7 4,-0.9 -3,-0.2 3,-0.3 0.789 92.5-168.1 40.9 33.5 -21.0 30.2 28.8 5 37 A V H >> + 0 0 34 -3,-0.3 3,-1.5 1,-0.2 4,-1.4 0.694 52.6 45.5 -10.0-121.4 -18.0 31.2 31.0 6 38 A Q H 3> S+ 0 0 90 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.468 112.2 44.1 -1.7 -76.6 -16.9 28.9 33.8 7 39 A K H 3> S+ 0 0 170 -3,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.924 120.9 40.5 -49.8 -53.2 -16.7 25.5 32.2 8 40 A N H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 3,-0.6 0.933 111.7 52.9 -70.5 -47.2 -6.6 27.5 31.7 14 46 A Q H 3< S+ 0 0 54 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.898 108.7 50.6 -53.3 -45.1 -6.3 23.7 32.3 15 47 A S H 3< S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.767 117.1 39.5 -67.1 -26.7 -5.0 23.2 28.7 16 48 A Q H << S+ 0 0 57 -4,-1.0 327,-0.4 -3,-0.6 -1,-0.2 0.479 97.0 97.9-103.6 -2.3 -2.4 25.9 29.0 17 49 A A < - 0 0 9 -4,-1.3 325,-0.2 -3,-0.5 323,-0.0 -0.458 64.6-140.0 -85.6 156.8 -1.3 25.3 32.6 18 50 A N E -A 341 0A 54 323,-2.4 323,-2.8 -2,-0.1 -3,-0.1 -0.945 26.6-135.7-116.9 105.3 1.8 23.3 33.6 19 51 A P E -A 340 0A 52 0, 0.0 2,-0.4 0, 0.0 321,-0.3 -0.275 7.4-138.9 -65.1 145.8 1.0 21.1 36.6 20 52 A L - 0 0 11 319,-2.6 319,-0.3 1,-0.1 318,-0.1 -0.841 5.4-158.4-103.7 140.6 3.3 20.8 39.6 21 53 A K - 0 0 109 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.757 66.5 -6.0 -90.7 -28.2 3.8 17.4 41.2 22 54 A T - 0 0 29 2,-0.1 -1,-0.2 1,-0.1 9,-0.0 -0.952 44.1-137.3-158.0 171.4 5.1 18.2 44.7 23 55 A I + 0 0 28 -2,-0.3 40,-0.3 -3,-0.1 41,-0.1 0.420 66.9 120.4-111.9 -8.7 6.2 21.1 46.9 24 56 A E > - 0 0 85 1,-0.2 3,-1.2 39,-0.1 -2,-0.1 -0.416 53.9-154.5 -64.6 116.5 9.1 19.1 48.3 25 57 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 35,-0.0 0.795 91.0 60.6 -62.0 -27.1 12.4 20.8 47.7 26 58 A S T 3 S+ 0 0 94 2,-0.0 3,-0.1 3,-0.0 -2,-0.1 0.671 87.1 94.0 -75.6 -17.4 14.3 17.6 47.8 27 59 A K S < S- 0 0 111 -3,-1.2 -5,-0.0 1,-0.1 0, 0.0 -0.366 90.9 -80.2 -77.1 156.2 12.4 16.0 44.9 28 60 A P - 0 0 79 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.087 34.5-133.2 -50.1 152.0 13.6 16.0 41.2 29 61 A F > + 0 0 36 1,-0.2 3,-1.7 2,-0.1 4,-0.3 0.054 66.9 119.8-100.8 24.7 12.9 19.3 39.3 30 62 A E G > S+ 0 0 128 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.862 73.8 55.1 -57.2 -37.3 11.4 17.8 36.1 31 63 A D G 3 S+ 0 0 23 -3,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.535 101.3 60.3 -76.4 -3.6 8.1 19.6 36.6 32 64 A L G X> S+ 0 0 0 -3,-1.7 4,-1.1 1,-0.2 3,-0.9 0.399 73.4 96.3-101.7 1.5 9.8 23.0 36.8 33 65 A K H <> S+ 0 0 118 -3,-1.3 4,-1.3 -4,-0.3 3,-0.5 0.869 79.7 57.6 -59.1 -36.6 11.4 22.8 33.3 34 66 A P H 3> S+ 0 0 26 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.840 101.1 59.9 -63.5 -26.2 8.5 24.8 31.9 35 67 A L H <> S+ 0 0 1 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.850 98.3 54.8 -68.3 -36.0 9.5 27.5 34.5 36 68 A K H X S+ 0 0 106 -4,-1.1 4,-2.0 -3,-0.5 -1,-0.2 0.882 109.0 49.6 -64.4 -37.3 13.0 27.9 33.0 37 69 A K H < S+ 0 0 167 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.826 111.3 49.2 -70.6 -33.4 11.5 28.6 29.7 38 70 A X H < S+ 0 0 18 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.929 113.3 44.7 -71.1 -47.7 9.1 31.2 31.1 39 71 A I H >< S+ 0 0 5 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.865 83.7 172.4 -66.1 -38.9 11.8 33.1 33.0 40 72 A G T 3< - 0 0 36 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.387 66.0 -28.2 64.8-137.5 14.3 33.1 30.2 41 73 A N T 3 S+ 0 0 140 -4,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.110 89.6 144.6-101.1 22.1 17.3 35.2 30.8 42 74 A A < - 0 0 2 -3,-1.6 251,-0.1 1,-0.1 252,-0.1 -0.360 39.3-155.4 -60.2 136.5 15.6 37.6 33.2 43 75 A Q S S+ 0 0 79 250,-0.4 216,-3.3 1,-0.1 2,-0.4 0.583 76.3 53.7 -91.1 -12.0 18.1 38.7 36.0 44 76 A Y E -bc 259 294A 11 249,-1.7 251,-2.9 214,-0.2 2,-0.5 -0.987 61.4-177.9-127.1 127.7 15.3 39.6 38.5 45 77 A V E -bc 260 295A 0 214,-2.7 216,-3.1 -2,-0.4 2,-0.5 -0.980 14.0-151.8-127.1 123.4 12.5 37.3 39.7 46 78 A G E -bc 261 296A 0 249,-2.9 251,-2.6 -2,-0.5 2,-0.6 -0.810 9.6-165.3 -93.2 129.0 9.8 38.4 42.1 47 79 A L E -bc 262 297A 1 214,-3.7 216,-1.6 -2,-0.5 251,-0.2 -0.890 13.5-170.5-118.1 100.4 8.4 35.5 44.2 48 80 A G - 0 0 0 249,-2.5 2,-0.3 -2,-0.6 216,-0.2 -0.177 14.8-146.9 -85.6 177.1 5.2 36.4 45.9 49 81 A E - 0 0 0 250,-0.1 216,-1.9 214,-0.1 217,-0.3 -0.981 14.1-141.1-144.9 131.1 3.0 34.7 48.5 50 82 A N S S+ 0 0 0 -2,-0.3 314,-1.9 214,-0.2 2,-0.3 0.808 89.1 6.0 -62.6 -33.0 -0.8 35.0 48.8 51 83 A T S S- 0 0 1 312,-0.2 3,-0.2 3,-0.1 314,-0.1 -0.828 71.2-119.6-138.4 177.2 -0.7 35.1 52.6 52 84 A H S S+ 0 0 31 313,-0.5 313,-0.1 -2,-0.3 314,-0.0 0.033 106.6 46.7-107.1 21.9 2.0 35.4 55.2 53 85 A G + 0 0 0 312,-0.0 254,-2.0 338,-0.0 339,-1.6 0.164 69.2 120.1-154.0 31.9 1.0 32.1 56.8 54 86 A S B > -H 391 0B 0 -3,-0.2 4,-2.1 337,-0.2 3,-0.4 -0.894 45.5-154.7-103.9 115.1 0.4 29.3 54.3 55 87 A S H > S+ 0 0 14 335,-2.9 4,-2.5 -2,-0.6 5,-0.2 0.931 92.6 46.1 -51.3 -57.5 2.6 26.3 54.9 56 88 A E H > S+ 0 0 39 334,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.765 109.8 55.6 -60.9 -28.6 2.6 24.9 51.4 57 89 A I H > S+ 0 0 1 -3,-0.4 4,-2.2 333,-0.2 -1,-0.2 0.952 109.9 44.7 -70.4 -47.1 3.2 28.3 49.9 58 90 A F H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.930 117.3 45.6 -60.0 -45.6 6.4 28.9 52.0 59 91 A T H X S+ 0 0 20 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.897 112.1 50.3 -66.5 -39.9 7.6 25.3 51.2 60 92 A X H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.866 109.1 52.7 -66.6 -34.3 6.8 25.6 47.5 61 93 A K H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.870 106.7 52.8 -67.3 -35.2 8.7 28.9 47.4 62 94 A F H X S+ 0 0 20 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.925 108.9 49.7 -64.1 -43.6 11.7 27.2 48.9 63 95 A R H X S+ 0 0 0 -4,-2.2 4,-2.2 -40,-0.3 -2,-0.2 0.943 112.1 48.3 -60.4 -45.0 11.4 24.5 46.2 64 96 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.913 111.1 49.9 -60.4 -45.4 11.3 27.3 43.6 65 97 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.945 109.7 51.3 -59.3 -47.9 14.3 29.1 45.2 66 98 A K H X S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.899 110.9 48.6 -58.1 -40.7 16.3 25.9 45.2 67 99 A Y H X>S+ 0 0 9 -4,-2.2 4,-2.9 -5,-0.2 5,-0.8 0.940 111.1 49.4 -65.2 -46.7 15.5 25.4 41.5 68 100 A L H X5S+ 0 0 1 -4,-2.6 6,-2.2 3,-0.2 4,-1.0 0.894 116.1 43.4 -59.9 -40.4 16.5 29.0 40.6 69 101 A V H X5S+ 0 0 7 -4,-2.6 4,-0.6 4,-0.2 -2,-0.2 0.963 122.7 34.8 -70.9 -50.7 19.8 28.7 42.5 70 102 A T H <5S+ 0 0 54 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.781 132.9 23.8 -76.7 -30.8 20.8 25.2 41.3 71 103 A E H <5S+ 0 0 100 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.625 129.1 35.0-111.8 -17.5 19.5 25.2 37.7 72 104 A X H <> -d 139 0A 14 -2,-0.3 4,-2.4 56,-0.2 3,-0.5 -0.201 37.7-118.9 -59.3 142.4 14.8 44.2 57.9 83 115 A W H 3> S+ 0 0 2 56,-2.7 4,-1.8 1,-0.3 54,-0.4 0.888 113.3 50.4 -42.9 -54.0 18.2 45.1 56.7 84 116 A G H 3> S+ 0 0 2 58,-0.5 4,-1.4 1,-0.2 -1,-0.3 0.864 109.4 49.3 -56.9 -42.3 19.8 44.3 60.1 85 117 A N H <> S+ 0 0 14 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.864 107.7 57.9 -65.7 -34.6 18.2 40.9 60.3 86 118 A G H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.903 100.8 54.5 -61.2 -42.9 19.5 40.4 56.8 87 119 A L H X S+ 0 0 22 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.890 112.5 44.0 -57.7 -41.9 23.1 41.0 57.9 88 120 A K H X S+ 0 0 67 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.858 113.3 49.6 -73.5 -37.5 22.7 38.3 60.6 89 121 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.876 110.8 50.8 -69.7 -35.3 21.0 35.8 58.3 90 122 A N H X S+ 0 0 13 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.927 109.2 50.2 -68.0 -40.8 23.7 36.4 55.7 91 123 A E H X>S+ 0 0 79 -4,-1.9 4,-2.8 -5,-0.2 6,-0.7 0.904 110.0 53.0 -62.0 -38.3 26.3 35.7 58.3 92 124 A Y H X5S+ 0 0 15 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.933 110.5 44.4 -61.4 -48.8 24.4 32.5 59.2 93 125 A I H <5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.611 118.3 45.6 -74.9 -9.4 24.4 31.2 55.7 94 126 A Q H <5S+ 0 0 71 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.820 135.5 6.8 -97.1 -39.2 28.0 32.1 55.1 95 127 A T H <5S- 0 0 98 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.552 90.4-118.2-121.5 -13.8 29.5 30.8 58.4 96 128 A G << + 0 0 33 -4,-2.1 2,-0.4 -5,-0.6 -4,-0.2 0.650 65.5 141.7 81.6 14.5 26.8 28.9 60.3 97 129 A K + 0 0 140 -6,-0.7 -1,-0.3 -9,-0.1 -2,-0.2 -0.761 45.4 20.0 -93.2 133.6 27.0 31.3 63.2 98 130 A G S S- 0 0 30 -2,-0.4 3,-0.1 -3,-0.1 -9,-0.0 -0.334 84.5 -79.7 105.0 173.4 23.7 32.3 64.9 99 131 A N > - 0 0 89 1,-0.1 3,-2.3 -2,-0.1 4,-0.5 -0.938 27.2-157.0-120.1 104.5 20.2 31.2 65.3 100 132 A P G >> S+ 0 0 11 0, 0.0 3,-2.1 0, 0.0 4,-0.9 0.836 90.8 69.7 -48.6 -37.4 18.0 32.0 62.3 101 133 A R G 34 S+ 0 0 132 1,-0.3 3,-0.3 2,-0.2 7,-0.1 0.801 98.6 50.9 -51.4 -31.9 14.9 31.8 64.5 102 134 A E G <4 S+ 0 0 112 -3,-2.3 -1,-0.3 1,-0.2 -4,-0.0 0.603 107.5 52.3 -83.5 -13.4 16.1 35.0 66.2 103 135 A F T <4 S+ 0 0 24 -3,-2.1 2,-0.6 -4,-0.5 -2,-0.2 0.503 91.7 81.7-102.1 -5.3 16.6 36.9 63.0 104 136 A L S < S- 0 0 4 -4,-0.9 3,-0.1 -3,-0.3 2,-0.1 -0.896 78.3-130.2-104.4 120.8 13.2 36.4 61.4 105 137 A K > - 0 0 83 -2,-0.6 3,-2.0 1,-0.2 -2,-0.1 -0.390 51.6 -58.7 -70.3 147.1 10.4 38.7 62.6 106 138 A L T 3 S+ 0 0 87 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.296 124.6 25.5 -29.7 139.9 7.1 37.1 63.7 107 139 A L T 3 S+ 0 0 6 -3,-0.1 -1,-0.3 2,-0.1 3,-0.1 -0.171 116.7 68.7 90.7 -31.8 5.1 34.9 61.3 108 140 A Y S < S+ 0 0 14 -3,-2.0 2,-2.7 1,-0.2 -2,-0.2 0.733 70.5 83.9 -88.4 -22.1 8.4 34.3 59.5 109 141 A P + 0 0 9 0, 0.0 286,-1.7 0, 0.0 2,-0.2 -0.316 69.2 141.4 -78.2 62.3 10.3 32.1 62.1 110 142 A T B > -I 394 0C 0 -2,-2.7 4,-2.6 284,-0.3 284,-0.3 -0.610 67.6-116.5-101.3 162.2 8.5 29.0 60.7 111 143 A D H > S+ 0 0 80 282,-2.9 4,-1.9 -2,-0.2 5,-0.1 0.897 115.5 56.1 -61.8 -38.8 9.8 25.5 60.2 112 144 A E H > S+ 0 0 13 281,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.925 113.5 36.5 -59.4 -50.5 9.1 26.0 56.5 113 145 A I H >> S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.904 114.4 54.5 -73.0 -41.5 11.3 29.1 56.1 114 146 A I H 3X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.863 102.9 58.9 -61.3 -32.5 14.0 28.0 58.5 115 147 A A H 3X S+ 0 0 38 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.3 0.879 106.7 48.0 -63.2 -36.3 14.4 24.8 56.5 116 148 A X H < S+ 0 0 47 -4,-3.2 3,-1.2 1,-0.2 6,-0.3 0.942 112.7 46.3 -58.4 -47.8 24.7 25.2 49.6 124 156 A N H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.712 105.5 62.2 -67.5 -20.9 27.2 27.8 50.7 125 157 A A H 3< S+ 0 0 73 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.647 79.4 95.9 -80.1 -15.8 29.1 25.1 52.7 126 158 A D X< - 0 0 72 -3,-1.2 3,-2.6 -4,-0.7 -4,-0.0 -0.670 67.2-153.6 -78.2 109.9 29.8 23.1 49.6 127 159 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.682 91.1 71.6 -58.1 -16.5 33.4 24.2 48.5 128 160 A S T 3 S+ 0 0 93 1,-0.2 2,-1.1 2,-0.1 -4,-0.1 0.735 83.3 77.4 -70.3 -22.9 32.4 23.2 45.0 129 161 A N < + 0 0 29 -3,-2.6 -1,-0.2 -6,-0.3 -3,-0.0 -0.758 55.5 172.0 -92.5 96.4 30.1 26.3 44.9 130 162 A K + 0 0 177 -2,-1.1 2,-0.8 1,-0.1 -1,-0.2 0.804 67.6 65.2 -73.6 -31.4 32.5 29.3 44.4 131 163 A K S S- 0 0 137 126,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.853 83.4-153.3 -96.6 107.4 29.7 31.8 43.9 132 164 A K - 0 0 66 -2,-0.8 2,-0.2 1,-0.1 -38,-0.1 -0.473 18.5-106.8 -83.6 150.6 27.9 31.9 47.2 133 165 A I - 0 0 0 -13,-0.2 2,-0.4 -2,-0.2 -57,-0.2 -0.560 33.8-147.6 -72.9 136.2 24.2 32.8 47.9 134 166 A Q E -d 76 0A 32 -59,-2.5 -57,-3.4 -2,-0.2 2,-0.5 -0.906 2.0-147.3-107.9 134.0 24.0 36.3 49.4 135 167 A F E -d 77 0A 0 -2,-0.4 2,-0.4 -59,-0.2 -57,-0.2 -0.903 18.0-173.8-102.3 126.2 21.1 37.0 51.8 136 168 A I E -d 78 0A 0 -59,-2.9 -57,-2.7 -2,-0.5 2,-0.9 -0.983 19.8-146.6-123.6 129.0 19.9 40.6 51.7 137 169 A G E -d 79 0A 1 -2,-0.4 -57,-0.2 -54,-0.4 -55,-0.1 -0.841 16.4-174.7 -93.9 107.6 17.3 42.1 54.1 138 170 A L E + 0 0 3 -59,-2.6 109,-0.2 -2,-0.9 -56,-0.2 0.790 48.8 92.4 -72.1 -32.7 15.4 44.6 51.9 139 171 A D E -d 82 0A 2 -58,-2.0 -56,-2.7 -60,-0.6 -55,-0.2 -0.124 50.8-163.8 -72.7 162.1 13.2 46.2 54.6 140 172 A L + 0 0 2 -58,-0.2 3,-0.1 -57,-0.1 -1,-0.1 -0.280 47.8 124.0-135.8 44.8 13.5 49.2 56.9 141 173 A K S S+ 0 0 102 1,-0.2 39,-0.8 38,-0.1 2,-0.3 0.560 87.9 0.3 -84.6 -4.7 10.9 48.7 59.6 142 174 A A - 0 0 19 37,-0.2 2,-0.5 -3,-0.1 -58,-0.5 -0.947 61.5-136.3-173.0 154.1 13.7 49.0 62.2 143 175 A L - 0 0 4 34,-2.7 34,-0.2 -2,-0.3 2,-0.1 -0.968 27.2-152.8-124.0 112.2 17.5 49.5 62.5 144 176 A D >> - 0 0 39 -2,-0.5 4,-1.2 1,-0.1 3,-1.0 -0.313 29.5-107.3 -79.8 165.7 19.2 47.2 65.0 145 177 A Q H 3> S+ 0 0 108 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.833 117.9 67.1 -61.1 -32.4 22.3 48.0 66.9 146 178 A G H 3> S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.845 97.6 53.4 -57.6 -34.5 24.1 45.5 64.6 147 179 A S H <> S+ 0 0 0 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.941 109.8 44.8 -67.2 -49.1 23.6 47.8 61.7 148 180 A F H X S+ 0 0 3 -4,-1.2 4,-2.9 1,-0.2 -2,-0.2 0.900 114.9 50.2 -61.7 -39.6 25.1 50.8 63.4 149 181 A N H X S+ 0 0 65 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.822 101.1 62.2 -68.0 -32.0 28.0 48.6 64.6 150 182 A K H X S+ 0 0 81 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.942 113.6 36.3 -58.0 -45.2 28.5 47.2 61.1 151 183 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.950 118.5 48.6 -71.2 -53.5 29.3 50.8 60.0 152 184 A I H X S+ 0 0 12 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.900 109.4 52.8 -55.1 -47.4 31.2 51.9 63.1 153 185 A D H X S+ 0 0 63 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.909 109.3 49.7 -57.2 -44.4 33.4 48.8 63.2 154 186 A Y H X>S+ 0 0 27 -4,-1.3 4,-3.2 -5,-0.3 5,-0.6 0.935 112.7 46.7 -60.8 -47.2 34.4 49.4 59.6 155 187 A V H X5S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 8,-0.3 0.899 109.1 54.1 -61.9 -43.3 35.3 53.0 60.3 156 188 A R H <5S+ 0 0 129 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.832 119.0 35.4 -61.5 -32.1 37.2 52.2 63.5 157 189 A L H <5S+ 0 0 116 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.893 134.4 18.5 -88.9 -46.1 39.4 49.7 61.6 158 190 A H H <5S+ 0 0 92 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.776 132.0 32.6-101.0 -31.0 39.8 51.3 58.2 159 191 A R ><< + 0 0 77 -4,-1.2 3,-1.9 -5,-0.6 4,-0.5 -0.495 64.0 162.0-128.0 65.0 39.0 55.0 58.5 160 192 A P T 3 + 0 0 78 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.685 68.6 66.5 -54.7 -26.5 40.1 55.9 62.1 161 193 A D T 3 S+ 0 0 151 1,-0.2 4,-0.2 2,-0.1 -5,-0.1 0.616 104.8 44.4 -75.1 -10.7 40.2 59.6 61.5 162 194 A L S <> S+ 0 0 38 -3,-1.9 4,-3.0 -7,-0.3 5,-0.2 0.506 83.6 96.0-108.7 -8.2 36.4 59.7 61.0 163 195 A L H > S+ 0 0 34 -4,-0.5 4,-2.8 -3,-0.4 5,-0.3 0.894 84.2 51.0 -48.9 -49.4 35.5 57.5 64.0 164 196 A A H > S+ 0 0 79 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.938 114.6 42.9 -55.2 -50.7 34.8 60.5 66.3 165 197 A E H > S+ 0 0 82 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 114.6 49.5 -65.2 -42.5 32.5 62.1 63.7 166 198 A V H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.949 111.7 47.2 -63.8 -49.0 30.7 58.9 62.8 167 199 A E H X S+ 0 0 91 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.869 111.2 53.1 -60.5 -36.7 29.9 57.9 66.4 168 200 A E H X S+ 0 0 135 -4,-1.8 4,-0.5 -5,-0.3 -1,-0.2 0.922 108.4 49.5 -64.6 -44.3 28.8 61.4 67.1 169 201 A N H < S+ 0 0 10 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.769 119.0 37.9 -67.3 -25.8 26.3 61.4 64.2 170 202 A Y H X S+ 0 0 4 -4,-1.5 4,-2.7 -5,-0.1 -1,-0.2 0.628 90.8 89.9 -99.8 -17.7 24.9 58.0 65.2 171 203 A K H < S+ 0 0 141 -4,-1.9 4,-0.1 1,-0.2 -2,-0.1 0.900 99.4 26.7 -47.4 -59.9 24.8 58.2 69.0 172 204 A E T >< S+ 0 0 105 -4,-0.5 3,-2.0 1,-0.2 4,-0.4 0.934 119.5 56.9 -73.0 -46.1 21.3 59.7 69.6 173 205 A L G >4 S+ 0 0 0 -4,-0.3 3,-2.3 1,-0.3 4,-0.3 0.897 97.3 63.3 -49.9 -48.1 19.8 58.4 66.4 174 206 A S G 3< S+ 0 0 30 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.538 95.8 60.4 -58.8 -8.9 20.6 54.8 67.3 175 207 A S G < S+ 0 0 85 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.568 106.7 45.0 -95.0 -9.8 18.3 54.9 70.3 176 208 A F S < S+ 0 0 65 -3,-2.3 3,-0.4 -4,-0.4 -2,-0.2 0.266 89.0 81.8-116.3 9.6 15.2 55.7 68.3 177 209 A T + 0 0 2 -4,-0.3 -34,-2.7 1,-0.2 -1,-0.1 0.296 53.1 108.9-100.6 12.4 15.3 53.2 65.4 178 210 A G S S- 0 0 46 -36,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.729 94.6 -13.4 -58.5 -24.9 13.9 50.2 67.2 179 211 A S > - 0 0 37 -3,-0.4 4,-1.6 1,-0.1 -37,-0.2 -0.961 66.8-106.1-169.3 162.1 10.7 50.5 65.2 180 212 A I H > S+ 0 0 42 -39,-0.8 4,-2.6 -2,-0.3 5,-0.2 0.914 116.2 59.8 -61.9 -43.2 8.8 52.8 62.9 181 213 A Q H 4 S+ 0 0 157 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.884 108.0 41.2 -53.5 -48.4 6.4 53.6 65.7 182 214 A E H >4 S+ 0 0 68 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.828 113.8 53.0 -74.1 -30.4 9.0 54.9 68.2 183 215 A Y H >< S+ 0 0 0 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.898 103.2 57.1 -71.9 -37.2 10.8 56.9 65.5 184 216 A X T 3< S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.607 92.7 71.3 -69.1 -8.4 7.7 58.6 64.3 185 217 A K T < S+ 0 0 172 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.566 78.2 103.6 -81.6 -9.7 7.2 59.9 67.9 186 218 A L S < S- 0 0 15 -3,-1.7 -3,-0.0 -4,-0.2 -10,-0.0 -0.372 80.6-107.3 -71.4 152.4 10.2 62.3 67.4 187 219 A T > - 0 0 73 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.325 31.1-106.1 -74.5 162.4 9.5 66.0 66.7 188 220 A P H > S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.900 120.8 57.8 -56.1 -39.1 10.1 67.4 63.2 189 221 A K H > S+ 0 0 146 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.919 107.0 44.2 -58.5 -48.0 13.2 69.0 64.6 190 222 A L H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.856 112.2 54.1 -68.1 -33.2 14.9 65.8 65.7 191 223 A K H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.933 108.9 46.8 -65.8 -46.5 13.9 64.0 62.5 192 224 A E H X S+ 0 0 113 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.920 114.7 49.1 -59.3 -44.6 15.5 66.7 60.3 193 225 A K H X S+ 0 0 102 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.928 111.9 46.5 -61.4 -49.6 18.6 66.5 62.5 194 226 A F H X S+ 0 0 4 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.850 110.9 52.1 -65.1 -35.7 18.8 62.7 62.4 195 227 A K H X S+ 0 0 44 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.919 111.1 48.7 -65.1 -42.1 18.3 62.6 58.6 196 228 A A H X S+ 0 0 37 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.926 111.3 48.9 -61.9 -47.3 21.2 65.1 58.2 197 229 A N H X S+ 0 0 25 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.903 113.3 47.4 -59.8 -42.3 23.4 63.1 60.5 198 230 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 24,-0.3 0.888 111.6 49.2 -67.2 -41.7 22.7 59.9 58.6 199 231 A E H X S+ 0 0 54 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.881 107.7 57.7 -64.7 -36.3 23.3 61.6 55.2 200 232 A R H X S+ 0 0 97 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.930 108.5 43.4 -59.5 -50.7 26.5 62.9 56.6 201 233 A V H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.882 111.2 54.0 -65.5 -39.3 27.9 59.5 57.4 202 234 A A H >< S+ 0 0 10 -4,-2.0 3,-0.6 16,-0.3 4,-0.3 0.913 108.8 50.5 -61.8 -40.8 26.8 57.9 54.2 203 235 A R H >< S+ 0 0 136 -4,-2.2 3,-1.8 1,-0.2 4,-0.4 0.935 105.3 56.4 -60.0 -47.2 28.6 60.7 52.3 204 236 A L H 3< S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.727 113.8 40.4 -57.9 -24.1 31.8 60.1 54.3 205 237 A L T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.282 84.7 94.7-110.6 10.6 31.7 56.4 53.2 206 238 A K S < S- 0 0 90 -3,-1.8 -1,-0.1 -4,-0.3 -2,-0.1 0.713 90.4-126.8 -74.3 -15.7 30.7 56.9 49.5 207 239 A D 0 0 94 -4,-0.4 -2,-0.1 -3,-0.2 -3,-0.1 0.991 360.0 360.0 63.1 64.0 34.4 56.8 48.6 208 240 A E 0 0 181 -5,-0.3 -1,-0.1 -4,-0.1 -5,-0.0 -0.509 360.0 360.0-144.1 360.0 34.1 60.1 46.7 209 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 210 252 A E > 0 0 152 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.8 33.8 44.7 54.5 211 253 A Y H > + 0 0 46 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.892 360.0 58.9 -58.8 -45.2 33.5 48.1 52.9 212 254 A I H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 110.9 40.7 -52.3 -50.7 30.7 47.2 50.6 213 255 A W H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.804 113.5 53.7 -72.3 -28.3 28.4 46.2 53.4 214 256 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.938 111.7 45.0 -69.7 -46.3 29.4 49.1 55.6 215 257 A K H X S+ 0 0 71 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.927 114.2 50.0 -60.8 -44.9 28.6 51.6 52.8 216 258 A A H X S+ 0 0 6 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.878 111.0 48.7 -62.2 -40.6 25.3 49.8 52.1 217 259 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.906 108.4 52.7 -67.2 -43.0 24.3 49.8 55.8 218 260 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -16,-0.3 0.888 110.8 49.5 -59.8 -36.6 25.1 53.5 56.1 219 261 A S H X S+ 0 0 34 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.847 107.2 53.9 -69.6 -34.5 22.9 54.1 53.1 220 262 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.861 107.8 51.0 -68.1 -33.6 20.1 52.0 54.7 221 263 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.901 110.6 48.2 -69.5 -39.9 20.3 54.2 57.8 222 264 A E H X S+ 0 0 50 -4,-1.8 4,-1.7 -24,-0.3 -2,-0.2 0.946 110.9 51.6 -64.3 -46.5 20.0 57.3 55.6 223 265 A K H X S+ 0 0 38 -4,-2.8 4,-2.9 1,-0.2 3,-0.2 0.917 107.9 52.4 -55.3 -45.9 17.0 55.7 53.8 224 266 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.925 111.9 44.3 -57.8 -46.9 15.3 55.0 57.1 225 267 A T H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.727 116.2 48.4 -71.4 -21.8 15.6 58.6 58.3 226 268 A T H >< S+ 0 0 25 -4,-1.7 3,-1.1 -3,-0.2 -2,-0.2 0.860 107.9 53.3 -84.0 -40.1 14.5 59.9 54.9 227 269 A X H 3< S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.2 13,-0.2 0.845 113.1 43.8 -62.5 -36.5 11.5 57.6 54.6 228 270 A L T 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.205 87.1 92.3 -98.5 15.7 10.2 58.7 58.0 229 271 A L S < S+ 0 0 44 -3,-1.1 -1,-0.2 -38,-0.1 -2,-0.1 0.933 73.0 74.7 -73.4 -47.3 10.8 62.4 57.5 230 272 A P S S- 0 0 38 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.079 70.8-147.3 -60.2 168.1 7.3 63.1 56.1 231 273 A N S S+ 0 0 130 5,-0.0 -3,-0.0 0, 0.0 2,-0.0 0.352 72.0 75.9-118.9 2.6 4.3 63.1 58.4 232 274 A D S S- 0 0 69 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.027 77.6-122.3 -95.8-157.5 1.6 61.8 56.0 233 275 A Y S > S+ 0 0 106 3,-0.1 4,-2.5 2,-0.1 5,-0.2 0.747 96.1 52.7-118.0 -50.9 1.0 58.2 54.8 234 276 A P H > S+ 0 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