==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAR-11 3QXQ . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.ZIMMER . 1352 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 951 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 20 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 47 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 543 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.8 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 0 0 5 3 4 12 0 0 7 9 4 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 12 14 6 12 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 ANTIPARALLEL BRIDGES PER LADDER . 8 9 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 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 23 A C 0 0 166 0, 0.0 2,-0.3 0, 0.0 337,-0.0 0.000 360.0 360.0 360.0 25.9 -14.3 30.7 -16.4 2 24 A T - 0 0 80 638,-0.0 3,-0.1 45,-0.0 44,-0.1 -0.940 360.0-129.3-132.7 158.7 -15.8 27.4 -17.2 3 25 A W >> - 0 0 7 -2,-0.3 4,-2.4 1,-0.2 3,-0.8 -0.900 22.8-161.8-106.9 97.7 -16.5 24.1 -15.4 4 26 A P H 3> S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.859 87.6 51.9 -50.8 -48.4 -14.9 21.5 -17.6 5 27 A A H 3> S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 311,-0.1 0.867 113.1 47.4 -57.8 -36.2 -16.8 18.5 -16.2 6 28 A W H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.894 108.2 54.1 -71.4 -41.0 -20.0 20.5 -16.7 7 29 A E H X S+ 0 0 58 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.915 111.0 46.5 -58.6 -43.2 -19.1 21.4 -20.3 8 30 A Q H X S+ 0 0 72 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.851 109.0 55.7 -67.3 -34.5 -18.5 17.7 -21.0 9 31 A F H X>S+ 0 0 2 -4,-1.5 4,-2.5 -5,-0.2 5,-0.6 0.932 105.8 51.1 -64.2 -46.7 -21.8 16.8 -19.4 10 32 A K H X5S+ 0 0 53 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.938 111.0 48.6 -51.0 -52.6 -23.7 19.2 -21.6 11 33 A K H <5S+ 0 0 134 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.912 120.9 34.4 -56.8 -45.0 -22.2 17.7 -24.8 12 34 A D H <5S+ 0 0 62 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.748 133.2 19.3 -86.9 -24.6 -22.9 14.1 -23.8 13 35 A Y H <5S+ 0 0 3 -4,-2.5 8,-3.2 -5,-0.2 2,-0.5 0.549 102.2 79.8-128.3 -15.4 -26.2 14.3 -21.9 14 36 A I B << -A 20 0A 26 -4,-1.8 6,-0.2 -5,-0.6 -1,-0.1 -0.894 65.6-139.2-112.3 125.1 -28.0 17.5 -22.8 15 37 A S > - 0 0 18 4,-2.4 3,-1.3 -2,-0.5 -2,-0.1 -0.204 28.7-106.0 -73.1 165.9 -30.0 18.0 -25.9 16 38 A Q T 3 S+ 0 0 73 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.811 123.3 54.6 -58.3 -33.3 -30.1 21.1 -28.1 17 39 A E T 3 S- 0 0 15 2,-0.1 40,-0.3 39,-0.0 -1,-0.3 0.563 125.3-102.4 -80.8 -9.6 -33.6 21.7 -26.7 18 40 A G S < S+ 0 0 0 -3,-1.3 2,-0.4 1,-0.3 40,-0.2 0.665 71.6 140.2 100.7 20.2 -32.3 21.6 -23.1 19 41 A R - 0 0 0 38,-0.1 -4,-2.4 39,-0.0 2,-0.5 -0.825 47.8-132.9-101.0 133.9 -33.4 18.1 -21.9 20 42 A V B -A 14 0A 3 -2,-0.4 2,-0.4 -6,-0.2 11,-0.3 -0.706 28.6-152.7 -84.8 126.6 -31.0 16.0 -19.7 21 43 A I - 0 0 10 -8,-3.2 9,-0.2 -2,-0.5 8,-0.1 -0.855 20.4-154.8-115.4 130.8 -30.9 12.4 -21.1 22 44 A D B > -B 29 0B 38 7,-2.7 3,-1.0 -2,-0.4 7,-0.6 -0.866 14.8-172.1 -96.5 103.1 -30.2 9.1 -19.4 23 45 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.504 72.5 75.2 -77.3 -4.3 -28.9 7.0 -22.3 24 46 A S T 3 S+ 0 0 86 5,-0.1 2,-0.4 3,-0.1 283,-0.0 0.722 82.4 78.4 -80.7 -20.6 -28.9 3.7 -20.4 25 47 A D S X S- 0 0 38 -3,-1.0 3,-2.7 1,-0.1 4,-0.1 -0.753 82.3-134.7 -91.4 131.6 -32.7 3.5 -20.6 26 48 A A T 3 S+ 0 0 94 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.748 107.8 56.4 -57.7 -25.1 -34.1 2.2 -23.9 27 49 A R T 3 S- 0 0 96 -5,-0.1 51,-1.7 50,-0.0 -1,-0.3 0.409 106.2-131.1 -87.5 3.6 -36.7 5.0 -23.8 28 50 A K < - 0 0 56 -3,-2.7 -2,-0.1 49,-0.2 666,-0.0 0.939 40.4-159.6 46.6 61.7 -33.9 7.6 -23.5 29 51 A I B -B 22 0B 12 -7,-0.6 -7,-2.7 -8,-0.1 2,-0.4 -0.202 25.0-152.8 -78.2 158.3 -35.6 9.2 -20.6 30 52 A T E -C 76 0C 1 46,-2.7 46,-2.3 -9,-0.2 2,-0.3 -0.981 18.0-161.2-119.7 138.8 -35.5 12.6 -19.0 31 53 A T E > -C 75 0C 19 -2,-0.4 4,-2.2 -11,-0.3 44,-0.2 -0.812 31.3-119.5-115.0 160.8 -36.4 12.9 -15.3 32 54 A S H > S+ 0 0 1 42,-1.3 4,-1.9 -2,-0.3 5,-0.1 0.820 119.2 55.2 -66.6 -28.3 -37.4 15.9 -13.2 33 55 A Q H > S+ 0 0 31 41,-0.3 4,-2.6 2,-0.2 5,-0.2 0.927 105.9 51.1 -62.9 -48.6 -34.3 15.0 -11.1 34 56 A G H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.910 110.8 48.0 -54.5 -46.5 -32.2 15.2 -14.3 35 57 A Q H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.903 112.1 49.2 -63.3 -41.7 -33.6 18.6 -15.2 36 58 A S H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.891 110.1 50.2 -68.0 -38.5 -33.0 20.0 -11.6 37 59 A Y H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.843 110.4 51.2 -67.0 -33.9 -29.4 18.7 -11.5 38 60 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.885 111.3 47.7 -68.5 -39.6 -28.9 20.4 -14.9 39 61 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.948 112.8 48.1 -65.7 -48.7 -30.3 23.6 -13.5 40 62 A F H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.936 114.6 46.0 -54.1 -48.9 -28.2 23.4 -10.3 41 63 A S H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.914 110.6 51.8 -67.7 -44.1 -25.1 22.7 -12.3 42 64 A A H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 4,-0.4 0.927 112.2 48.0 -53.0 -48.3 -25.8 25.5 -14.9 43 65 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.941 110.9 49.4 -59.5 -48.2 -26.2 27.9 -12.0 44 66 A A H 3<5S+ 0 0 2 -4,-2.7 293,-0.4 1,-0.3 -1,-0.2 0.839 113.0 48.1 -60.6 -33.5 -23.0 26.8 -10.2 45 67 A A T 3<5S- 0 0 18 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.454 111.5-120.7 -84.1 -1.5 -21.1 27.2 -13.5 46 68 A N T < 5 + 0 0 75 -3,-1.5 2,-0.7 -4,-0.4 -3,-0.2 0.934 63.0 149.5 55.5 47.4 -22.6 30.7 -14.1 47 69 A D >< + 0 0 26 -5,-3.0 4,-2.2 1,-0.2 3,-0.3 -0.688 14.1 166.3-112.2 76.5 -24.0 29.3 -17.3 48 70 A R H > S+ 0 0 91 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.876 71.4 58.8 -65.6 -38.9 -27.2 31.3 -17.8 49 71 A A H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 111.9 41.5 -55.5 -42.5 -27.8 30.3 -21.4 50 72 A A H > S+ 0 0 13 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.884 111.8 55.2 -74.3 -37.4 -27.9 26.6 -20.4 51 73 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.958 111.7 44.8 -55.9 -51.0 -30.0 27.4 -17.3 52 74 A D H X S+ 0 0 39 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.866 113.5 49.3 -60.9 -42.2 -32.5 29.1 -19.5 53 75 A N H X S+ 0 0 39 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.926 114.1 44.9 -65.4 -45.0 -32.6 26.4 -22.1 54 76 A I H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.896 113.0 51.3 -67.1 -41.3 -33.0 23.6 -19.5 55 77 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.944 108.0 52.7 -59.3 -49.2 -35.7 25.6 -17.7 56 78 A D H X S+ 0 0 32 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.936 110.9 45.9 -51.9 -52.8 -37.6 26.1 -21.0 57 79 A W H X>S+ 0 0 13 -4,-2.0 4,-3.0 -40,-0.3 5,-0.5 0.922 112.2 52.1 -58.9 -45.4 -37.7 22.4 -21.8 58 80 A T H X>S+ 0 0 0 -4,-2.2 4,-2.5 -40,-0.2 5,-1.1 0.953 112.7 43.9 -54.9 -54.0 -38.7 21.6 -18.2 59 81 A Q H X5S+ 0 0 20 -4,-2.8 6,-3.2 1,-0.2 4,-0.7 0.937 119.2 42.7 -60.2 -47.3 -41.6 24.0 -18.2 60 82 A N H <5S+ 0 0 43 -4,-2.7 -1,-0.2 5,-0.3 -2,-0.2 0.858 127.8 25.7 -68.4 -38.3 -42.8 23.0 -21.7 61 83 A N H <5S+ 0 0 53 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.758 130.2 32.3-104.3 -28.7 -42.4 19.2 -21.4 62 84 A L H << - 0 0 23 -3,-2.5 3,-1.6 -7,-0.5 4,-0.8 -0.822 47.8-161.0-161.6 119.5 -45.6 26.3 -16.7 67 89 A L T 34 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.517 98.6 65.7 -71.1 -6.1 -44.0 25.4 -13.4 68 90 A K T 34 S+ 0 0 98 1,-0.1 -1,-0.3 -5,-0.1 3,-0.1 0.621 103.1 46.3 -84.4 -16.1 -46.4 27.9 -11.8 69 91 A E T <4 S- 0 0 110 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.643 124.1 -5.4-102.6 -17.9 -49.4 25.7 -12.7 70 92 A R S < S- 0 0 72 -4,-0.8 -1,-0.3 -7,-0.1 3,-0.1 -0.977 73.3 -91.0-170.1 155.3 -48.2 22.3 -11.7 71 93 A L - 0 0 12 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.494 59.7 -96.4 -69.9 146.4 -45.4 20.2 -10.3 72 94 A P - 0 0 0 0, 0.0 20,-0.4 0, 0.0 -9,-0.2 -0.400 35.0-108.7 -71.0 142.5 -43.2 18.7 -13.1 73 95 A A - 0 0 4 -11,-2.8 18,-0.2 1,-0.1 16,-0.2 -0.404 24.8-141.8 -60.7 143.6 -43.9 15.2 -14.3 74 96 A W S S+ 0 0 89 16,-2.3 -42,-1.3 14,-0.7 2,-0.4 0.784 78.3 47.1 -84.1 -25.6 -41.0 13.0 -13.1 75 97 A L E +CD 31 88C 11 13,-1.4 12,-2.9 15,-0.3 13,-1.5 -0.970 56.0 166.9-129.9 127.4 -40.6 10.8 -16.2 76 98 A W E +CD 30 86C 11 -46,-2.3 -46,-2.7 -2,-0.4 2,-0.3 -0.998 25.4 106.6-136.7 134.7 -40.5 11.7 -19.9 77 99 A G E - 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0 0 78 3,-0.3 53,-0.2 -3,-0.1 52,-0.1 -0.941 57.7 -93.2 169.1 168.9 11.7 -20.8 -54.2 1231 236 D K S S+ 0 0 181 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.843 117.5 33.6 -75.2 -38.2 11.2 -19.3 -50.7 1232 237 D T S S+ 0 0 51 1,-0.1 2,-1.8 -3,-0.1 -16,-1.2 0.499 93.7 91.8-100.5 -6.3 12.4 -15.8 -51.1 1233 238 D L + 0 0 3 -18,-0.1 49,-1.1 -19,-0.1 50,-0.5 -0.611 68.9 109.6 -84.4 75.0 11.3 -15.4 -54.7 1234 239 D I E S-P 1281 0b 31 -2,-1.8 -19,-3.4 47,-0.2 2,-0.8 -0.976 76.3-109.4-146.5 156.0 7.9 -13.9 -53.6 1235 240 D S E +P 1280 0b 5 45,-2.6 45,-1.2 -2,-0.3 2,-0.1 -0.826 66.5 122.0 -88.6 110.7 6.1 -10.6 -53.7 1236 241 D S S > S- 0 0 6 -2,-0.8 4,-2.4 43,-0.2 43,-0.1 -0.309 71.8 -25.5-137.9-135.8 6.0 -9.5 -50.0 1237 242 D Y T 4 S+ 0 0 81 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.716 134.5 39.3 -68.3 -26.6 7.0 -6.6 -47.8 1238 243 D D T >4 S+ 0 0 40 2,-0.1 3,-1.2 1,-0.1 4,-0.3 0.896 117.2 47.7 -83.4 -47.5 9.9 -5.5 -50.0 1239 244 D A T >> S+ 0 0 0 1,-0.3 3,-2.6 -5,-0.2 4,-0.8 0.805 91.2 77.7 -68.0 -31.8 8.3 -6.0 -53.3 1240 245 D I H 3X S+ 0 0 4 -4,-2.4 4,-1.1 1,-0.3 -1,-0.3 0.782 89.8 61.1 -50.2 -26.3 5.0 -4.2 -52.5 1241 246 D R H <> S+ 0 0 4 -3,-1.2 4,-2.9 1,-0.2 -1,-0.3 0.778 88.7 69.5 -74.8 -26.1 7.0 -1.0 -52.9 1242 247 D V H <> S+ 0 0 1 -3,-2.6 4,-2.2 -4,-0.3 -1,-0.2 0.953 100.3 46.7 -54.7 -52.8 7.7 -1.8 -56.6 1243 248 D Y H X S+ 0 0 0 -4,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.891 112.8 51.0 -57.1 -41.3 4.1 -1.3 -57.6 1244 249 D M H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.933 108.0 50.5 -62.9 -47.1 4.0 2.0 -55.6 1245 250 D W H < S+ 0 0 2 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.884 111.1 50.2 -58.8 -39.4 7.1 3.4 -57.2 1246 251 D V H >< S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.2 -1,-0.2 0.918 108.3 52.2 -65.4 -42.4 5.6 2.6 -60.6 1247 252 D G H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.7 56.4 -64.0 -29.3 2.4 4.3 -59.7 1248 253 D M T 3< S+ 0 0 2 -4,-1.7 97,-0.4 -5,-0.1 -1,-0.3 0.541 82.2 111.0 -83.6 -6.7 4.2 7.5 -58.6 1249 254 D M S < S- 0 0 2 -3,-1.2 2,-0.1 -4,-0.4 98,-0.1 -0.409 82.0-100.9 -64.7 142.3 5.9 7.9 -62.0 1250 255 D P > - 0 0 24 0, 0.0 3,-1.1 0, 0.0 6,-0.2 -0.419 22.2-126.8 -63.3 139.2 4.7 10.8 -64.0 1251 256 D D T 3 S+ 0 0 126 1,-0.3 6,-0.1 -2,-0.1 5,-0.1 0.790 110.1 66.5 -57.2 -27.1 2.2 9.9 -66.7 1252 257 D S T 3 S+ 0 0 95 4,-0.1 -1,-0.3 3,-0.0 94,-0.0 0.878 75.4 99.0 -58.8 -42.5 4.5 11.7 -69.1 1253 258 D D S X S- 0 0 15 -3,-1.1 3,-1.5 1,-0.2 4,-0.4 -0.323 70.1-146.1 -57.3 118.8 7.3 9.2 -68.5 1254 259 D P T 3 S+ 0 0 102 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.658 91.7 59.4 -60.2 -22.0 7.2 6.8 -71.6 1255 260 D Q T 3> S+ 0 0 37 1,-0.2 4,-1.2 2,-0.1 -2,-0.1 0.448 81.2 83.0 -94.2 -0.0 8.3 3.7 -69.6 1256 261 D K H <> S+ 0 0 11 -3,-1.5 4,-2.4 -6,-0.2 5,-0.2 0.886 84.0 59.7 -67.9 -39.9 5.4 3.7 -67.1 1257 262 D A H > S+ 0 0 70 -4,-0.4 4,-2.2 -3,-0.3 5,-0.2 0.891 102.9 50.2 -60.1 -44.8 3.0 1.9 -69.4 1258 263 D R H > S+ 0 0 123 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.915 111.9 48.3 -59.0 -45.9 5.2 -1.2 -69.8 1259 264 D M H X S+ 0 0 1 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.931 110.4 49.6 -64.9 -47.0 5.6 -1.6 -66.0 1260 265 D L H < S+ 0 0 33 -4,-2.4 4,-0.3 1,-0.2 7,-0.2 0.941 114.6 45.3 -55.2 -49.7 1.9 -1.2 -65.2 1261 266 D N H >< S+ 0 0 112 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.878 111.2 54.1 -63.3 -38.3 1.0 -3.8 -67.8 1262 267 D R H 3< S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.895 118.5 34.1 -59.9 -41.6 3.8 -6.0 -66.6 1263 268 D F T >X S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-1.0 0.235 83.0 117.3-101.6 13.2 2.5 -5.9 -63.0 1264 269 D K H X> + 0 0 118 -3,-0.7 4,-3.6 -4,-0.3 3,-0.5 0.846 66.1 65.5 -47.3 -43.6 -1.2 -5.7 -64.0 1265 270 D P H 3> S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.766 97.8 54.9 -58.3 -24.5 -2.0 -9.1 -62.3 1266 271 D M H <> S+ 0 0 4 -3,-2.1 4,-1.7 -55,-0.6 -2,-0.2 0.887 112.8 42.9 -70.7 -40.5 -1.2 -7.4 -59.0 1267 272 D A H -P 1234 0b 36 5,-3.2 4,-4.1 -2,-0.4 5,-0.4 -0.584 20.1-153.6 -70.5 110.1 4.8 -16.9 -55.5 1282 287 D V T 4 S+ 0 0 0 -49,-1.1 -72,-0.5 -2,-0.7 -70,-0.3 0.818 91.1 50.1 -55.5 -34.8 6.6 -15.0 -58.3 1283 288 D A T 4 S+ 0 0 24 -50,-0.5 -1,-0.2 -53,-0.2 -54,-0.1 0.889 127.9 19.6 -74.5 -40.8 7.0 -18.3 -60.3 1284 289 D T T 4 S- 0 0 78 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.667 92.9-129.5-102.4 -21.5 3.4 -19.5 -60.1 1285 290 D G < + 0 0 20 -4,-4.1 2,-0.2 1,-0.3 -3,-0.2 0.514 52.2 157.3 79.0 3.8 1.6 -16.3 -59.3 1286 291 D K - 0 0 151 -5,-0.4 -5,-3.2 -6,-0.1 2,-0.4 -0.452 26.7-155.5 -59.3 128.6 -0.1 -18.2 -56.4 1287 292 D A E -Q 1280 0b 31 -7,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.869 13.0-174.3-114.7 144.9 -1.2 -15.7 -53.8 1288 293 D Q E -Q 1279 0b 108 -9,-3.0 -9,-2.0 -2,-0.4 -10,-0.8 -0.983 42.2 -3.7-136.2 148.7 -1.9 -16.2 -50.1 1289 294 D G E S- 0 0 43 -2,-0.3 -11,-0.5 -12,-0.2 2,-0.5 0.192 78.3 -76.7 68.5 174.5 -3.2 -14.1 -47.2 1290 295 D K E -Q 1277 0b 118 -13,-0.3 -1,-0.1 -12,-0.1 0, 0.0 -0.965 45.5-123.2-116.0 122.0 -4.4 -10.5 -47.0 1291 296 D G - 0 0 0 -15,-2.9 -13,-0.1 -2,-0.5 5,-0.1 -0.168 31.6-101.3 -60.7 154.9 -1.7 -7.7 -46.9 1292 297 D P >> - 0 0 30 0, 0.0 3,-1.9 0, 0.0 4,-1.1 -0.199 43.7 -88.4 -74.1 171.2 -1.6 -5.2 -44.1 1293 298 D V H >> S+ 0 0 14 1,-0.3 4,-2.0 2,-0.2 3,-0.6 0.852 126.2 63.2 -50.0 -40.7 -3.0 -1.7 -44.4 1294 299 D G H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.843 98.6 55.7 -53.5 -37.0 0.4 -0.4 -45.6 1295 300 D F H <> S+ 0 0 3 -3,-1.9 4,-1.3 2,-0.2 -1,-0.3 0.884 106.6 49.7 -62.7 -40.3 -0.0 -2.7 -48.7 1296 301 D S H < S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.874 106.5 55.0 -66.1 -36.5 -1.7 2.4 -49.2 1298 303 D A H 3X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.828 102.2 57.3 -63.5 -34.2 0.9 1.2 -51.6 1299 304 D M H 3X S+ 0 0 0 -4,-1.3 4,-3.1 1,-0.2 -1,-0.2 0.649 86.7 83.3 -71.6 -15.6 -1.8 0.3 -54.1 1300 305 D L H << S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.939 98.1 32.8 -60.7 -54.0 -3.2 3.9 -54.1 1301 306 D P H 4 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.785 121.7 55.2 -69.1 -24.0 -0.8 5.4 -56.7 1302 307 D F H < S+ 0 0 3 -4,-0.6 -2,-0.2 -54,-0.0 2,-0.1 0.919 86.9 80.8 -78.5 -49.3 -0.6 2.1 -58.5 1303 308 D L < - 0 0 0 -4,-3.1 -43,-0.0 1,-0.1 -36,-0.0 -0.393 52.6-171.1 -65.7 132.0 -4.3 1.3 -59.2 1304 309 D Q + 0 0 110 -2,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.669 60.3 93.8 -96.8 -19.9 -5.6 3.1 -62.3 1305 310 D N > - 0 0 76 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.636 69.2-145.3 -77.7 122.6 -9.3 2.1 -61.7 1306 311 D R H > S+ 0 0 57 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.870 95.7 46.3 -53.0 -47.8 -11.2 4.7 -59.7 1307 312 D D H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 114.7 44.4 -66.8 -46.7 -13.4 2.2 -57.9 1308 313 D A H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 112.1 54.3 -66.8 -38.5 -10.7 -0.2 -56.8 1309 314 D Q H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.920 109.5 48.8 -57.0 -44.1 -8.6 2.8 -55.9 1310 315 D A H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.830 105.3 56.7 -68.6 -34.2 -11.5 3.9 -53.7 1311 316 D V H X S+ 0 0 36 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.942 111.6 43.5 -62.0 -44.0 -11.9 0.5 -52.1 1312 317 D Q H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.859 109.7 56.8 -67.7 -35.8 -8.2 0.7 -51.0 1313 318 D R H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.911 107.0 49.4 -61.5 -43.2 -8.7 4.4 -49.9 1314 319 D Q H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.930 108.8 52.1 -60.7 -46.8 -11.5 3.3 -47.6 1315 320 D R H X S+ 0 0 41 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.885 110.7 48.0 -60.2 -39.5 -9.4 0.5 -46.0 1316 321 D V H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.930 112.8 47.5 -66.8 -45.3 -6.5 2.9 -45.3 1317 322 D A H >< S+ 0 0 35 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.867 113.9 46.6 -63.4 -39.4 -8.7 5.5 -43.7 1318 323 D D H 3< S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.604 123.4 33.0 -84.4 -13.8 -10.6 3.0 -41.5 1319 324 D N T 3< S+ 0 0 97 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 -0.242 81.6 172.6-132.5 46.2 -7.5 1.2 -40.3 1320 325 D F < - 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