==== 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 ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)07-MAR-94 1XIG . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR H.L.CARRELL,J.P.GLUSKER . 385 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 1 0.3 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 . 1 0.3 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 . 21 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 2 1 0 1 1 1 1 0 2 0 0 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 3 A Y 0 0 108 0, 0.0 308,-0.1 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 53.0 39.5 38.7 84.0 2 4 A Q - 0 0 148 307,-0.1 2,-0.2 304,-0.0 43,-0.1 -0.816 360.0-136.1 -81.4 114.6 37.9 35.2 83.9 3 5 A P - 0 0 14 0, 0.0 303,-0.1 0, 0.0 43,-0.1 -0.538 17.7-168.6 -72.0 153.8 35.2 34.5 81.3 4 6 A T > - 0 0 58 -2,-0.2 3,-2.8 1,-0.1 5,-0.3 -0.927 40.9-103.5-131.2 169.6 32.1 32.7 82.2 5 7 A P G > S+ 0 0 61 0, 0.0 3,-2.3 0, 0.0 42,-0.1 0.879 117.8 71.2 -65.6 -19.7 29.5 31.3 79.7 6 8 A E G 3 S+ 0 0 151 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.751 85.2 70.0 -67.7 -22.2 27.2 34.4 80.6 7 9 A D G < S- 0 0 37 -3,-2.8 -1,-0.3 38,-0.2 275,-0.1 0.568 104.6-131.2 -66.5 -13.0 29.8 36.6 78.6 8 10 A R < + 0 0 65 -3,-2.3 274,-3.3 -4,-0.3 2,-0.5 0.783 42.7 168.0 71.1 33.7 28.5 34.9 75.4 9 11 A F E +a 282 0A 2 -5,-0.3 38,-3.3 36,-0.3 39,-1.3 -0.667 7.0 176.6 -84.6 127.8 31.9 34.0 74.0 10 12 A T E -ab 283 48A 0 272,-1.9 274,-2.8 -2,-0.5 2,-0.3 -0.882 13.4-162.0-130.6 160.0 31.9 31.6 71.0 11 13 A F E -ab 284 49A 0 37,-1.2 39,-1.8 -2,-0.3 2,-0.2 -0.988 22.5-118.0-140.9 144.0 34.4 30.0 68.6 12 14 A G E >> - b 0 50A 0 272,-1.2 3,-1.7 -2,-0.3 4,-0.7 -0.555 23.2-128.1 -78.5 143.0 34.2 28.3 65.3 13 15 A L H 3> S+ 0 0 12 37,-2.5 4,-1.1 1,-0.2 -1,-0.1 0.746 111.7 58.4 -49.0 -34.7 35.4 24.7 65.2 14 16 A W H 34 S+ 0 0 41 36,-0.2 -1,-0.2 2,-0.2 37,-0.1 0.479 97.7 62.7 -75.3 -10.0 37.6 25.8 62.3 15 17 A T H X4 S+ 0 0 0 -3,-1.7 3,-1.8 2,-0.2 -2,-0.2 0.962 115.9 23.3 -86.7 -71.0 39.4 28.4 64.4 16 18 A V H 3< S+ 0 0 0 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.744 124.4 59.9 -54.8 -28.4 41.1 26.3 67.2 17 19 A G T 3< S+ 0 0 21 -4,-1.1 2,-0.3 -5,-0.3 15,-0.3 0.387 73.2 126.5 -82.2 -0.4 40.9 23.4 64.7 18 20 A W < - 0 0 55 -3,-1.8 -3,-0.1 1,-0.2 -4,-0.0 -0.517 48.3-157.9 -64.7 122.4 43.1 25.3 62.0 19 21 A Q - 0 0 50 -2,-0.3 9,-1.9 9,-0.1 10,-1.7 0.466 39.4-110.8 -77.2 -7.4 45.9 22.9 61.1 20 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.2 270,-0.1 0.524 60.0 154.9 79.6 29.1 48.1 25.7 59.9 21 23 A R + 0 0 139 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.458 17.5 172.8 -77.1 121.9 48.2 25.0 56.3 22 24 A D B > -F 25 0B 63 3,-1.8 3,-1.4 -2,-0.3 5,-0.0 -0.792 51.5 -84.5-125.7 175.1 48.9 28.5 54.5 23 25 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.821 130.1 32.6 -56.0 -20.9 49.6 29.4 50.7 24 26 A F T 3 S+ 0 0 197 2,-0.1 2,-0.3 1,-0.0 -3,-0.0 0.232 116.3 49.0-114.0 11.9 53.3 28.5 51.4 25 27 A G B < -F 22 0B 15 -3,-1.4 -3,-1.8 0, 0.0 2,-0.1 -0.992 66.9-114.5-162.2 142.8 53.3 25.7 54.0 26 28 A D - 0 0 135 -2,-0.3 -2,-0.1 -5,-0.2 0, 0.0 -0.375 56.4 -70.6 -69.7 164.4 52.1 22.4 55.1 27 29 A A - 0 0 37 1,-0.1 -7,-0.2 -2,-0.1 -1,-0.2 -0.182 37.1-170.3 -48.5 143.2 50.0 21.7 58.3 28 30 A T S S+ 0 0 66 -9,-1.9 2,-0.3 1,-0.2 -8,-0.2 0.519 70.2 49.1-115.4 -4.7 52.0 22.1 61.5 29 31 A R S S- 0 0 17 -10,-1.7 -1,-0.2 264,-0.1 2,-0.1 -0.971 83.8-114.0-141.5 146.6 49.3 20.6 63.8 30 32 A R - 0 0 126 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.332 47.1 -84.3 -67.5 163.9 47.2 17.5 63.7 31 33 A A - 0 0 57 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.325 41.6-134.6 -71.6 135.5 43.4 17.6 63.2 32 34 A L - 0 0 21 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.0 -0.900 16.2-120.3 -86.2 140.6 41.4 18.1 66.3 33 35 A D >> - 0 0 55 -2,-0.5 4,-1.9 1,-0.1 3,-1.0 -0.515 22.8-127.6 -64.3 128.0 38.3 15.9 67.0 34 36 A P H 3> S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.836 112.1 60.1 -42.9 -38.7 35.2 18.5 67.3 35 37 A V H 3> S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.939 103.2 48.4 -53.7 -46.8 34.5 16.6 70.6 36 38 A E H <> S+ 0 0 65 -3,-1.0 4,-3.1 1,-0.2 5,-0.2 0.885 110.1 49.5 -57.5 -52.7 37.9 17.6 71.9 37 39 A S H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 5,-0.3 0.849 108.2 54.3 -61.5 -41.6 37.5 21.2 71.0 38 40 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.912 112.5 44.2 -55.7 -44.3 34.1 21.4 72.6 39 41 A Q H X S+ 0 0 86 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.923 115.4 47.0 -66.7 -42.2 35.5 20.0 75.9 40 42 A R H X S+ 0 0 66 -4,-3.1 4,-1.0 2,-0.2 -2,-0.2 0.903 113.0 47.7 -72.9 -35.1 38.6 22.2 75.8 41 43 A L H >X>S+ 0 0 0 -4,-2.0 5,-2.1 -5,-0.2 3,-0.8 0.949 108.5 55.6 -70.4 -38.4 36.7 25.5 75.0 42 44 A A H ><5S+ 0 0 29 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.916 106.1 52.7 -65.3 -41.8 34.1 24.7 77.8 43 45 A E H 3<5S+ 0 0 141 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.818 104.4 54.4 -60.6 -29.9 36.9 24.5 80.2 44 46 A L H <<5S- 0 0 35 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.527 125.9 -98.5 -81.0 -13.3 38.3 27.9 79.2 45 47 A G T <<5 + 0 0 8 -3,-1.2 -36,-0.3 -4,-0.8 -38,-0.2 0.579 67.9 154.2 110.7 12.2 34.9 29.6 79.9 46 48 A A < - 0 0 3 -5,-2.1 -1,-0.2 1,-0.1 -36,-0.2 -0.309 39.7-145.6 -77.8 158.3 33.4 29.7 76.4 47 49 A H - 0 0 32 -38,-3.3 36,-1.9 1,-0.3 2,-0.3 0.748 66.4 -34.8 -93.7 -27.8 29.6 29.8 75.9 48 50 A G E -bc 10 83A 0 -39,-1.3 -37,-1.2 34,-0.3 2,-0.3 -0.978 51.4-113.4-175.8-174.6 29.4 27.8 72.6 49 51 A V E -b 11 0A 0 34,-2.6 37,-0.5 -2,-0.3 2,-0.2 -0.887 15.0-150.7-131.0 172.6 30.7 26.9 69.4 50 52 A T E -b 12 0A 0 -39,-1.8 -37,-2.5 -2,-0.3 2,-0.3 -0.826 15.7-166.9-139.2 166.6 29.8 27.3 65.6 51 53 A F E -g 87 0C 0 35,-0.6 37,-2.3 -2,-0.2 2,-0.4 -0.998 25.2-128.9-148.3 154.6 30.5 25.2 62.6 52 54 A H E >> -g 88 0C 16 -2,-0.3 3,-2.1 35,-0.2 4,-1.2 -0.838 42.9-113.8 -81.1 154.1 30.6 24.8 58.8 53 55 A D H >> S+ 0 0 14 35,-1.6 4,-2.7 -2,-0.4 3,-0.9 0.875 119.0 51.7 -42.8 -54.3 28.8 21.7 57.7 54 56 A D H 34 S+ 0 0 41 1,-0.3 -1,-0.3 2,-0.2 5,-0.3 0.619 100.5 61.2 -70.7 -12.7 32.0 20.4 56.5 55 57 A D H <4 S+ 0 0 49 -3,-2.1 -1,-0.3 3,-0.1 -2,-0.2 0.786 116.6 31.3 -76.9 -32.4 33.8 21.0 59.9 56 58 A L H << S+ 0 0 6 -4,-1.2 -2,-0.2 -3,-0.9 -3,-0.1 0.884 127.6 34.9 -95.8 -40.2 31.4 18.6 61.6 57 59 A I S < S- 0 0 12 -4,-2.7 -1,-0.3 -5,-0.2 3,-0.1 -0.955 91.0-118.1-117.3 111.0 30.5 16.0 58.9 58 60 A P > - 0 0 65 0, 0.0 3,-2.5 0, 0.0 -3,-0.1 -0.175 43.0 -90.1 -42.2 127.5 33.4 15.1 56.4 59 61 A F T 3 S+ 0 0 96 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.246 114.5 18.5 -43.0 122.1 32.6 16.0 52.9 60 62 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.341 86.1 162.4 92.8 2.2 30.9 13.1 51.1 61 63 A S < - 0 0 18 -3,-2.5 -1,-0.3 -4,-0.1 2,-0.1 -0.210 40.9-116.7 -44.4 135.9 29.8 11.3 54.4 62 64 A S > - 0 0 52 1,-0.1 4,-3.4 4,-0.0 5,-0.2 -0.341 29.4-107.0 -70.6 169.1 27.1 8.7 54.1 63 65 A D H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.805 123.2 58.0 -71.1 -12.1 23.9 9.5 55.9 64 66 A S H > S+ 0 0 80 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.945 110.3 41.3 -82.8 -38.3 25.0 6.7 58.3 65 67 A E H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.855 110.5 59.1 -71.4 -47.2 28.2 8.5 59.0 66 68 A R H >X S+ 0 0 48 -4,-3.4 4,-2.4 1,-0.2 3,-0.5 0.964 106.8 47.5 -45.3 -57.6 26.4 12.0 59.2 67 69 A E H 3X S+ 0 0 141 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.778 109.8 52.1 -62.2 -34.0 24.2 10.8 61.9 68 70 A E H 3X S+ 0 0 106 -4,-0.8 4,-2.3 -3,-0.5 -1,-0.3 0.833 110.0 48.7 -58.9 -54.8 27.1 9.3 63.9 69 71 A H H S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 5,-0.7 0.950 112.4 48.8 -62.5 -42.0 27.3 19.6 74.0 78 80 A D H <5S+ 0 0 108 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 111.5 48.5 -63.3 -36.4 25.1 17.8 76.6 79 81 A D H <5S+ 0 0 104 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.813 122.3 33.7 -80.1 -21.2 28.1 16.9 78.7 80 82 A T H <5S- 0 0 45 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.732 96.6-124.5-113.7 -13.5 29.5 20.4 78.6 81 83 A G T <5 + 0 0 48 -4,-2.8 -3,-0.2 1,-0.3 2,-0.1 0.521 58.7 151.8 75.8 9.4 26.5 22.8 78.6 82 84 A M < - 0 0 7 -5,-0.7 -1,-0.3 -6,-0.3 -34,-0.3 -0.483 31.9-146.7 -76.0 147.3 27.9 24.4 75.3 83 85 A K B -c 48 0A 116 -36,-1.9 -34,-2.6 -2,-0.1 45,-0.1 -0.645 11.8-137.7-104.2 167.6 25.5 26.0 72.9 84 86 A V + 0 0 6 43,-0.4 -34,-0.1 -36,-0.2 3,-0.1 -0.858 29.8 164.7-123.3 86.1 25.4 26.3 69.1 85 87 A P + 0 0 7 0, 0.0 45,-1.9 0, 0.0 46,-1.2 0.654 64.2 19.1 -77.3 -18.4 24.2 29.8 68.3 86 88 A M E - h 0 131C 2 -37,-0.5 -35,-0.6 43,-0.2 2,-0.3 -0.988 57.9-178.9-155.5 145.0 25.3 30.0 64.6 87 89 A A E -gh 51 132C 0 44,-1.4 46,-2.5 -2,-0.3 2,-0.3 -0.930 6.5-173.0-141.7 167.5 26.1 27.7 61.8 88 90 A T E -gh 52 133C 5 -37,-2.3 -35,-1.6 -2,-0.3 2,-0.4 -0.886 24.0-104.4-155.5 172.1 27.2 28.2 58.2 89 91 A T - 0 0 11 44,-0.6 2,-1.1 -2,-0.3 46,-0.3 -0.932 22.1-130.6-101.6 134.3 27.9 26.3 54.9 90 92 A N + 0 0 10 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.691 43.7 153.2 -78.1 103.2 31.4 25.6 53.5 91 93 A L + 0 0 18 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.104 65.3 56.3-117.7 44.4 30.9 26.9 49.8 92 94 A F S S+ 0 0 37 45,-0.1 -1,-0.1 46,-0.1 8,-0.1 0.606 89.6 60.1-139.2 -33.1 34.6 27.7 49.3 93 95 A T S S+ 0 0 90 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.910 82.3 79.0 -69.4 -57.2 37.0 24.6 49.9 94 96 A H S > S- 0 0 67 -4,-0.2 3,-2.1 1,-0.2 4,-0.0 -0.466 85.3-122.1 -61.1 145.6 35.9 22.0 47.4 95 97 A P G > S+ 0 0 90 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.739 107.3 72.5 -52.6 -30.6 37.2 22.5 43.8 96 98 A V G 3 S+ 0 0 54 1,-0.3 3,-0.5 2,-0.1 13,-0.1 0.873 96.1 53.8 -56.1 -22.0 33.5 22.6 42.4 97 99 A F G X S+ 0 0 1 -3,-2.1 3,-2.2 1,-0.2 -1,-0.3 0.282 70.5 117.7 -98.4 16.5 33.2 26.0 44.1 98 100 A K T < S+ 0 0 153 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.764 86.9 34.4 -62.6 -20.5 36.4 27.5 42.3 99 101 A D T 3 S- 0 0 37 -3,-0.5 41,-0.4 1,-0.4 -1,-0.3 0.178 130.3 -83.5-109.4 9.6 34.1 30.2 40.6 100 102 A G < - 0 0 0 -3,-2.2 -1,-0.4 39,-0.1 39,-0.1 -0.512 28.4-110.9 115.2 173.9 31.7 30.6 43.5 101 103 A G S > S+ 0 0 0 -2,-0.2 3,-0.8 -3,-0.1 12,-0.3 0.711 107.2 20.6-109.0 -79.4 28.6 29.0 45.0 102 104 A F T 3 S+ 0 0 11 1,-0.2 57,-0.2 11,-0.1 8,-0.1 0.718 138.1 35.5 -69.7 -20.0 25.5 31.2 44.5 103 105 A T T 3 S+ 0 0 3 53,-0.1 -1,-0.2 6,-0.0 37,-0.1 0.089 80.4 137.6-119.7 12.9 27.2 33.2 41.7 104 106 A A < - 0 0 5 -3,-0.8 6,-0.2 2,-0.1 -4,-0.1 -0.425 61.5-125.2 -53.3 149.1 29.2 30.6 39.9 105 107 A N S S+ 0 0 96 -6,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.904 94.2 80.4 -69.5 -35.2 28.9 30.9 36.1 106 108 A D S > S- 0 0 100 1,-0.2 4,-1.8 2,-0.0 3,-0.4 -0.499 72.0-152.5 -69.5 123.2 27.7 27.2 35.9 107 109 A R H > S+ 0 0 150 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.884 92.9 60.2 -67.3 -31.9 24.0 27.1 36.7 108 110 A D H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 104.0 49.4 -63.0 -39.7 24.4 23.5 37.9 109 111 A V H > S+ 0 0 16 -3,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.905 107.6 54.7 -61.9 -45.9 26.9 24.5 40.5 110 112 A R H X S+ 0 0 51 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.888 109.1 46.2 -56.5 -41.8 24.6 27.2 41.7 111 113 A R H X S+ 0 0 151 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.927 113.1 50.7 -68.2 -36.7 21.7 24.8 42.3 112 114 A Y H X S+ 0 0 93 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.919 106.8 54.5 -60.0 -43.2 24.1 22.3 44.1 113 115 A A H X S+ 0 0 0 -4,-3.1 4,-1.8 -12,-0.3 -1,-0.2 0.882 110.6 46.8 -60.6 -35.2 25.4 25.3 46.4 114 116 A L H X S+ 0 0 27 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.939 112.5 48.7 -77.0 -34.8 21.6 26.0 47.4 115 117 A R H X S+ 0 0 184 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.877 111.7 49.3 -63.6 -44.3 20.9 22.3 48.1 116 118 A K H X S+ 0 0 18 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.927 113.9 47.0 -62.1 -42.6 24.1 21.9 50.2 117 119 A T H X S+ 0 0 3 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.935 110.0 51.7 -54.3 -59.1 23.1 25.1 52.1 118 120 A I H X S+ 0 0 37 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.957 106.5 54.4 -57.2 -37.5 19.4 24.0 52.7 119 121 A R H X S+ 0 0 108 -4,-1.9 4,-1.6 1,-0.3 -1,-0.2 0.904 110.1 46.4 -58.8 -39.5 20.5 20.7 54.1 120 122 A N H X S+ 0 0 2 -4,-1.3 4,-2.7 1,-0.2 -1,-0.3 0.816 104.5 60.7 -83.8 -20.8 22.7 22.4 56.7 121 123 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.3 5,-0.2 0.952 103.6 52.8 -63.8 -40.9 19.9 25.0 57.7 122 124 A D H X S+ 0 0 54 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.936 112.0 44.1 -53.2 -54.3 17.9 22.0 58.8 123 125 A L H X S+ 0 0 4 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.912 110.7 55.0 -57.5 -41.6 20.8 20.7 60.9 124 126 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 4,-0.4 0.942 108.9 46.4 -53.6 -49.5 21.4 24.2 62.3 125 127 A V H ><5S+ 0 0 45 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.919 110.4 54.6 -59.4 -45.6 17.8 24.5 63.5 126 128 A E H 3<5S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.879 109.2 48.1 -53.6 -42.6 18.0 21.0 65.0 127 129 A L T 3<5S- 0 0 12 -4,-2.1 -43,-0.4 -3,-0.2 -1,-0.3 0.464 122.0-110.1 -87.2 0.1 21.1 22.0 67.0 128 130 A G T < 5 + 0 0 43 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.484 57.0 162.2 91.2 14.5 19.3 25.2 68.1 129 131 A A < - 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0 0 101 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.209 22.2-140.5 -59.6 144.7 17.9 67.6 66.3 340 342 A T S S+ 0 0 145 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.875 93.3 9.5 -70.6 -36.1 19.3 70.3 64.0 341 343 A A > + 0 0 34 1,-0.1 3,-1.7 2,-0.0 -1,-0.2 -0.403 62.9 150.2-153.0 71.0 15.9 71.6 63.1 342 344 A A T 3 S+ 0 0 89 -3,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.822 76.6 72.0 -74.4 -15.9 13.0 70.2 65.2 343 345 A D T 3 S- 0 0 93 1,-0.2 4,-0.4 -3,-0.1 -1,-0.3 0.548 108.8-123.2 -65.2 -21.2 11.5 73.5 64.5 344 346 A G <> - 0 0 30 -3,-1.7 4,-2.4 2,-0.1 5,-0.2 0.060 27.3 -65.1 95.3 174.8 10.9 72.4 60.9 345 347 A L H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.890 126.1 50.6 -59.8 -48.8 11.9 73.6 57.4 346 348 A Q H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 111.2 47.4 -61.1 -41.2 9.9 76.9 57.4 347 349 A A H > S+ 0 0 39 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.925 111.0 52.6 -67.9 -38.4 11.2 78.0 60.7 348 350 A L H < S+ 0 0 74 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.859 108.6 51.3 -55.5 -43.1 14.7 77.2 59.6 349 351 A L H < S+ 0 0 102 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.884 112.7 44.4 -70.7 -22.9 14.2 79.3 56.6 350 352 A D H < S+ 0 0 110 -4,-1.8 2,-1.0 -5,-0.2 -1,-0.2 0.599 87.0 106.4 -95.4 -10.3 12.9 82.3 58.5 351 353 A D >< - 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0 0 56 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.1 -0.332 1.1-143.1 -71.8 148.2 38.0 74.8 69.6 368 370 A M - 0 0 76 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.740 22.7-143.7 -86.6 -11.9 36.5 71.3 69.5 369 371 A A > + 0 0 50 1,-0.1 4,-1.6 -38,-0.1 5,-0.1 0.771 51.8 141.4 55.6 29.0 38.7 70.1 72.4 370 372 A F H > + 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.811 60.7 57.3 -71.4 -36.7 39.0 66.7 70.8 371 373 A E H > S+ 0 0 156 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 105.7 48.8 -67.7 -37.9 42.7 66.1 71.7 372 374 A R H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.959 113.6 49.0 -63.8 -48.5 42.1 66.5 75.4 373 375 A L H X S+ 0 0 23 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.932 110.6 50.6 -49.0 -50.8 39.2 64.0 75.1 374 376 A D H X S+ 0 0 47 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.860 108.2 50.7 -61.8 -40.5 41.4 61.6 73.1 375 377 A Q H X S+ 0 0 97 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.888 106.9 55.1 -63.9 -38.8 44.2 61.6 75.7 376 378 A L H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.890 108.9 47.7 -52.8 -40.6 41.6 60.9 78.4 377 379 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.915 112.9 49.7 -69.0 -37.1 40.5 57.9 76.4 378 380 A M H X S+ 0 0 49 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.947 109.6 49.4 -63.2 -49.7 44.3 56.9 76.0 379 381 A D H X>S+ 0 0 42 -4,-3.0 5,-3.3 1,-0.2 4,-0.7 0.899 112.8 50.4 -57.1 -42.4 45.0 57.3 79.8 380 382 A H H ><5S+ 0 0 18 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.951 109.9 48.1 -57.0 -51.9 41.9 55.1 80.4 381 383 A L H 3<5S+ 0 0 17 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.873 116.4 42.8 -51.3 -47.2 42.9 52.3 78.0 382 384 A L H 3<5S- 0 0 114 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.474 110.4-121.4 -80.7 -12.0 46.5 52.2 79.4 383 385 A G T <<5S+ 0 0 52 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.854 71.3 133.3 77.5 34.8 45.2 52.4 83.1 384 386 A A < 0 0 59 -5,-3.3 -4,-0.2 -6,-0.2 -1,-0.1 -0.323 360.0 360.0-116.5 48.2 47.2 55.5 83.6 385 387 A R 0 0 130 -6,-0.2 -1,-0.1 -5,-0.1 -5,-0.1 0.764 360.0 360.0 -92.8 360.0 44.6 57.7 85.3