==== 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 1XIC . 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) . 19303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 69.6 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 . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 38.4 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 1 2 0 1 1 1 1 0 2 0 0 0 0 1 0 1 0 1 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 0 107 0, 0.0 308,-0.2 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 56.4 39.4 38.8 83.9 2 4 A Q - 0 0 147 307,-0.1 2,-0.2 304,-0.0 43,-0.1 -0.777 360.0-137.7 -97.4 125.7 37.8 35.3 83.9 3 5 A P - 0 0 15 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.517 19.4-172.2 -78.3 147.5 35.2 34.6 81.2 4 6 A T > - 0 0 58 -2,-0.2 3,-2.9 1,-0.0 5,-0.3 -0.936 43.7 -96.6-126.5 167.9 32.1 32.7 82.1 5 7 A P G > S+ 0 0 61 0, 0.0 3,-1.9 0, 0.0 42,-0.1 0.778 118.8 69.9 -51.3 -27.4 29.3 31.4 79.8 6 8 A E G 3 S+ 0 0 152 1,-0.3 40,-0.0 2,-0.1 41,-0.0 0.785 85.4 67.9 -69.5 -15.2 27.3 34.5 80.6 7 9 A D G < S- 0 0 35 -3,-2.9 -1,-0.3 38,-0.2 275,-0.2 0.635 102.8-134.1 -75.9 -10.1 29.8 36.6 78.6 8 10 A R < + 0 0 65 -3,-1.9 274,-3.0 -4,-0.3 2,-0.4 0.782 39.4 170.7 66.5 35.6 28.5 34.8 75.5 9 11 A F E -a 282 0A 1 -5,-0.3 38,-3.1 36,-0.3 39,-1.4 -0.669 7.4-178.6 -78.0 125.5 32.0 34.1 74.0 10 12 A T E -ab 283 48A 0 272,-2.2 274,-2.6 -2,-0.4 2,-0.3 -0.878 12.7-162.6-129.1 160.2 31.9 31.7 71.0 11 13 A F E -ab 284 49A 0 37,-1.2 39,-1.6 -2,-0.3 2,-0.2 -0.993 22.0-119.5-138.1 141.1 34.4 30.1 68.7 12 14 A G E >> - b 0 50A 0 272,-1.2 3,-1.8 -2,-0.3 4,-0.7 -0.481 23.4-127.6 -74.2 147.9 34.2 28.4 65.3 13 15 A L H 3> S+ 0 0 13 37,-2.4 4,-1.2 1,-0.3 -1,-0.1 0.832 111.7 58.3 -52.4 -35.5 35.4 24.7 65.1 14 16 A W H 34 S+ 0 0 42 2,-0.2 -1,-0.3 36,-0.2 37,-0.1 0.432 97.6 63.0 -79.2 -5.4 37.7 25.8 62.3 15 17 A T H X4 S+ 0 0 0 -3,-1.8 3,-2.2 2,-0.2 -2,-0.2 0.949 115.5 23.2 -87.2 -70.3 39.5 28.4 64.5 16 18 A V H 3< S+ 0 0 0 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.728 125.5 60.5 -60.1 -22.0 41.2 26.4 67.3 17 19 A G T 3< S+ 0 0 22 -4,-1.2 2,-0.4 -5,-0.3 15,-0.3 0.397 72.2 123.6 -82.6 -2.4 40.9 23.5 64.7 18 20 A W < - 0 0 53 -3,-2.2 -3,-0.1 1,-0.1 -4,-0.0 -0.491 50.0-156.3 -66.4 125.1 43.1 25.3 62.0 19 21 A Q - 0 0 50 -2,-0.4 9,-2.0 9,-0.1 10,-1.7 0.504 41.1-108.4 -79.3 -7.6 46.0 22.9 61.2 20 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 270,-0.1 0.495 60.9 154.9 90.6 13.8 48.2 25.7 59.9 21 23 A R + 0 0 140 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.508 17.0 174.2 -64.3 129.2 48.2 25.1 56.1 22 24 A D B > -F 25 0B 67 3,-1.8 3,-1.1 -2,-0.3 5,-0.0 -0.727 51.6 -87.7-129.8 174.5 48.9 28.5 54.4 23 25 A P T 3 S+ 0 0 117 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.703 129.6 35.2 -59.6 -21.0 49.5 29.3 50.7 24 26 A F T 3 S+ 0 0 199 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.282 116.0 46.7-116.8 10.3 53.3 28.5 51.3 25 27 A G B < -F 22 0B 17 -3,-1.1 -3,-1.8 -5,-0.0 3,-0.1 -0.998 68.0-111.2-157.8 155.7 53.3 25.7 53.9 26 28 A D - 0 0 132 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.246 56.9 -73.9 -73.2 165.1 52.1 22.3 55.1 27 29 A A - 0 0 35 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.290 36.1-167.1 -61.0 141.8 50.0 21.8 58.3 28 30 A T S S+ 0 0 65 -9,-2.0 2,-0.3 1,-0.1 -8,-0.2 0.432 70.2 48.4-106.5 -4.4 52.0 22.2 61.5 29 31 A R S S- 0 0 17 -10,-1.7 -1,-0.1 264,-0.1 -8,-0.1 -0.981 84.1-111.4-136.6 149.8 49.3 20.6 63.8 30 32 A R - 0 0 130 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.331 47.3 -89.3 -71.7 159.1 47.2 17.5 63.7 31 33 A A - 0 0 57 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.368 40.5-135.5 -70.0 144.6 43.4 17.7 63.2 32 34 A L - 0 0 22 -15,-0.3 -1,-0.1 -3,-0.1 -13,-0.0 -0.879 15.1-119.1 -98.2 142.7 41.3 18.1 66.3 33 35 A D >> - 0 0 56 -2,-0.4 4,-1.8 1,-0.1 3,-1.0 -0.653 22.7-128.1 -72.4 130.4 38.2 16.1 66.9 34 36 A P H 3> S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.779 109.4 60.4 -46.2 -35.1 35.2 18.5 67.3 35 37 A V H 3> S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.901 104.7 47.8 -64.5 -41.2 34.3 16.7 70.6 36 38 A E H <> S+ 0 0 66 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.893 110.5 50.9 -65.7 -40.0 37.7 17.6 72.1 37 39 A S H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.912 108.1 53.1 -66.7 -39.8 37.4 21.3 71.0 38 40 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.934 112.8 44.7 -55.6 -50.9 34.0 21.5 72.6 39 41 A Q H X S+ 0 0 83 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.919 114.6 47.0 -59.0 -48.5 35.4 20.1 75.9 40 42 A R H X S+ 0 0 63 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.922 113.7 47.6 -64.7 -38.7 38.6 22.4 75.9 41 43 A L H X>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.2 4,-0.6 0.905 109.3 53.5 -70.2 -38.0 36.6 25.5 75.0 42 44 A A H ><5S+ 0 0 30 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.912 107.3 52.9 -64.3 -40.8 34.0 24.8 77.7 43 45 A E H 3<5S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.806 105.6 53.9 -61.7 -28.7 36.9 24.5 80.2 44 46 A L H 3<5S- 0 0 35 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.634 125.0-100.0 -82.3 -7.0 38.2 27.9 79.2 45 47 A G T <<5 + 0 0 7 -3,-1.5 -36,-0.3 -4,-0.6 -38,-0.2 0.560 67.9 152.2 105.5 7.6 34.8 29.6 79.9 46 48 A A < - 0 0 2 -5,-2.3 -1,-0.2 1,-0.1 -36,-0.2 -0.393 39.9-145.7 -70.6 164.1 33.4 29.8 76.4 47 49 A H - 0 0 34 -38,-3.1 36,-1.9 1,-0.2 2,-0.3 0.738 66.7 -29.1 -96.8 -27.5 29.5 29.8 75.9 48 50 A G E -bc 10 83A 0 -39,-1.4 -37,-1.2 34,-0.3 2,-0.3 -0.977 51.5-116.1-176.8 178.3 29.3 27.9 72.6 49 51 A V E -b 11 0A 0 34,-2.4 37,-0.5 -2,-0.3 2,-0.3 -0.883 15.3-152.2-131.2 165.7 30.7 26.9 69.3 50 52 A T E -b 12 0A 0 -39,-1.6 -37,-2.4 -2,-0.3 2,-0.3 -0.841 14.7-166.7-134.0 170.3 29.8 27.3 65.6 51 53 A F E -g 87 0C 0 35,-0.7 37,-1.9 -2,-0.3 2,-0.4 -0.998 24.5-131.6-156.2 146.6 30.5 25.2 62.5 52 54 A H E >> -g 88 0C 15 -2,-0.3 3,-2.0 35,-0.2 4,-1.3 -0.822 44.5-109.7 -86.3 152.6 30.5 25.0 58.8 53 55 A D H >> S+ 0 0 14 35,-1.5 4,-2.6 -2,-0.4 3,-1.1 0.899 119.3 49.6 -37.7 -55.8 28.8 21.8 57.5 54 56 A D H 34 S+ 0 0 39 1,-0.3 -1,-0.3 2,-0.2 5,-0.3 0.586 101.5 62.2 -78.8 -9.4 32.1 20.3 56.4 55 57 A D H <4 S+ 0 0 49 -3,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.785 116.1 32.1 -73.2 -32.9 33.8 21.0 59.8 56 58 A L H << S+ 0 0 6 -4,-1.3 -2,-0.2 -3,-1.1 -3,-0.1 0.840 129.6 31.7 -92.2 -46.9 31.3 18.7 61.5 57 59 A I S < S- 0 0 13 -4,-2.6 -1,-0.3 -5,-0.3 3,-0.1 -0.958 90.2-119.6-119.8 114.8 30.6 16.1 58.8 58 60 A P > - 0 0 66 0, 0.0 3,-2.1 0, 0.0 -3,-0.1 -0.129 43.9 -91.9 -53.8 134.9 33.4 15.3 56.4 59 61 A F T 3 S+ 0 0 97 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.272 112.7 21.3 -52.1 135.3 32.4 16.1 52.8 60 62 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.341 83.9 155.9 79.9 -0.2 30.9 13.1 51.1 61 63 A S < - 0 0 18 -3,-2.1 -1,-0.3 1,-0.1 2,-0.1 -0.241 44.1-116.2 -47.3 137.7 29.9 11.2 54.4 62 64 A S > - 0 0 53 1,-0.1 4,-3.3 4,-0.0 5,-0.2 -0.370 30.9 -99.7 -74.5 163.9 27.1 8.8 53.9 63 65 A D H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.812 125.1 52.7 -52.2 -32.2 23.8 9.3 55.8 64 66 A S H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 110.3 44.0 -75.8 -44.1 25.0 6.8 58.4 65 67 A E H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.937 110.9 57.8 -65.3 -41.6 28.3 8.5 59.0 66 68 A R H X S+ 0 0 45 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.949 106.0 48.2 -50.5 -50.8 26.5 11.9 59.1 67 69 A E H X S+ 0 0 145 -4,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.867 111.6 51.0 -67.3 -33.9 24.1 10.7 61.9 68 70 A E H X S+ 0 0 108 -4,-1.6 4,-2.4 2,-0.2 -1,-0.3 0.873 108.5 49.4 -65.3 -43.2 27.1 9.4 63.9 69 71 A H H X S+ 0 0 55 -4,-2.2 4,-1.7 -3,-0.2 -2,-0.2 0.917 114.2 47.1 -67.5 -38.8 29.1 12.6 63.7 70 72 A V H X S+ 0 0 12 -4,-2.5 4,-3.1 -5,-0.2 5,-0.2 0.931 109.7 52.8 -68.5 -46.6 26.1 14.5 64.8 71 73 A K H X S+ 0 0 134 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.924 111.1 46.4 -55.1 -48.4 25.3 12.1 67.7 72 74 A R H X S+ 0 0 105 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.909 112.8 49.6 -60.2 -37.9 28.8 12.4 69.1 73 75 A F H X S+ 0 0 1 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.959 110.1 50.8 -64.9 -50.8 28.8 16.2 68.8 74 76 A R H X S+ 0 0 92 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.884 106.8 55.7 -56.2 -40.6 25.4 16.4 70.6 75 77 A Q H X S+ 0 0 103 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.923 107.1 48.9 -55.3 -46.8 26.8 14.3 73.4 76 78 A A H X S+ 0 0 3 -4,-2.0 4,-1.1 2,-0.2 6,-0.4 0.890 111.1 49.2 -64.8 -34.8 29.7 16.7 73.9 77 79 A L H X>S+ 0 0 11 -4,-2.1 4,-2.3 1,-0.2 5,-0.6 0.923 112.6 48.5 -68.8 -38.4 27.3 19.7 74.0 78 80 A D H <5S+ 0 0 106 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.855 111.1 51.3 -64.7 -40.0 25.1 17.9 76.5 79 81 A D H <5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.685 122.7 28.4 -65.4 -28.8 28.1 17.0 78.6 80 82 A T H <5S- 0 0 47 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.614 97.1-121.3-113.8 -13.9 29.4 20.6 78.8 81 83 A G T <5 + 0 0 45 -4,-2.3 -3,-0.2 1,-0.3 2,-0.1 0.583 58.5 154.6 76.5 9.9 26.3 22.8 78.5 82 84 A M < - 0 0 8 -5,-0.6 -1,-0.3 -6,-0.4 -34,-0.3 -0.475 29.6-149.7 -72.2 146.2 27.9 24.5 75.3 83 85 A K B -c 48 0A 113 -36,-1.9 -34,-2.4 -2,-0.1 45,-0.1 -0.636 11.6-138.2-109.1 169.1 25.4 26.0 72.8 84 86 A V + 0 0 5 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.860 28.5 166.7-128.4 91.7 25.5 26.4 69.0 85 87 A P + 0 0 6 0, 0.0 45,-1.7 0, 0.0 46,-1.5 0.647 63.8 26.7 -82.8 -16.0 24.2 29.9 68.3 86 88 A M E + h 0 131C 2 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.988 57.3 178.5-148.9 144.8 25.3 30.1 64.6 87 89 A A E -gh 51 132C 0 44,-1.6 46,-2.4 -2,-0.3 2,-0.3 -0.925 5.7-178.3-142.1 167.2 26.1 27.8 61.7 88 90 A T E -gh 52 133C 4 -37,-1.9 -35,-1.5 -2,-0.3 2,-0.4 -0.901 25.3-106.9-155.6 175.6 27.2 28.4 58.1 89 91 A T - 0 0 11 44,-0.6 2,-1.0 -2,-0.3 46,-0.3 -0.916 21.2-125.6-115.0 144.1 28.0 26.4 55.0 90 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 -38,-0.0 -0.822 44.1 153.3 -84.0 101.4 31.4 25.7 53.3 91 93 A L + 0 0 17 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.265 66.5 56.6-112.4 42.4 30.8 27.0 49.7 92 94 A F S S+ 0 0 35 45,-0.1 8,-0.1 46,-0.1 -1,-0.1 0.633 88.7 60.7-141.4 -28.9 34.6 27.7 49.2 93 95 A T S S+ 0 0 94 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.913 82.4 79.1 -78.6 -50.5 36.9 24.7 49.8 94 96 A H S > S- 0 0 70 -4,-0.2 3,-2.3 1,-0.1 4,-0.0 -0.375 84.6-121.5 -62.2 141.7 35.8 22.0 47.3 95 97 A P G > S+ 0 0 92 0, 0.0 3,-2.1 0, 0.0 4,-0.1 0.761 108.0 72.0 -52.5 -28.6 37.1 22.6 43.7 96 98 A V G 3 S+ 0 0 50 1,-0.3 3,-0.4 2,-0.1 13,-0.0 0.800 95.2 54.9 -60.0 -27.6 33.5 22.7 42.4 97 99 A F G X + 0 0 0 -3,-2.3 3,-1.9 1,-0.2 -1,-0.3 0.176 70.0 118.5 -90.7 18.3 33.2 26.1 44.1 98 100 A K T < S+ 0 0 153 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.763 85.8 32.5 -57.9 -28.8 36.3 27.5 42.3 99 101 A D T 3 S- 0 0 34 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.207 130.6 -76.9-108.8 13.4 34.1 30.3 40.6 100 102 A G < - 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0 0 0 -35,-2.2 29,-0.2 -2,-0.3 2,-0.1 -0.811 27.9-169.3-123.4 84.4 28.0 39.5 60.4 214 216 A P - 0 0 0 0, 0.0 29,-2.9 0, 0.0 2,-0.4 -0.421 9.4-145.7 -75.2 154.4 30.9 42.0 59.9 215 217 A E B > -d 243 0A 0 -35,-0.3 4,-1.7 27,-0.2 5,-0.3 -0.975 12.4-134.3-122.1 134.9 34.5 40.8 60.8 216 218 A V H > S+ 0 0 9 27,-2.0 4,-1.7 -2,-0.4 -1,-0.1 0.904 105.5 45.1 -49.0 -56.8 37.1 43.2 62.3 217 219 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.842 108.0 59.7 -66.1 -32.3 40.0 42.1 60.0 218 220 A H H 4 S+ 0 0 4 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.919 107.5 41.4 -65.1 -45.1 37.8 42.2 56.9 219 221 A E H ><>S+ 0 0 5 -4,-1.7 5,-2.0 1,-0.2 3,-1.4 0.886 112.9 55.8 -69.6 -33.9 36.9 45.8 57.0 220 222 A Q H ><5S+ 0 0 15 -4,-1.7 3,-1.9 -5,-0.3 -1,-0.2 0.767 93.6 69.0 -70.2 -20.4 40.5 46.7 58.0 221 223 A M T 3<5S+ 0 0 4 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.583 103.2 45.6 -63.5 -16.4 41.6 44.9 54.8 222 224 A A T < 5S- 0 0 43 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.202 121.2-111.8-105.1 10.8 40.0 47.9 53.0 223 225 A G T < 5S+ 0 0 51 -3,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.649 70.2 146.9 70.4 16.4 41.6 50.4 55.4 224 226 A L < - 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0 0 23 -4,-1.0 4,-2.3 -3,-0.8 3,-0.9 -0.550 63.7-148.2 -78.8 122.4 34.6 59.1 84.7 322 324 A P H 3> S+ 0 0 94 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.807 99.8 55.8 -55.7 -33.9 33.0 62.5 85.6 323 325 A E H 3> S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.865 107.7 47.8 -72.9 -30.6 36.0 64.2 84.0 324 326 A V H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.888 109.6 53.2 -69.8 -42.7 35.3 62.4 80.7 325 327 A Q H X S+ 0 0 78 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.914 110.5 48.5 -61.7 -37.5 31.6 63.3 80.9 326 328 A E H X S+ 0 0 117 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.900 111.0 49.2 -62.2 -45.0 32.7 67.0 81.3 327 329 A A H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.846 106.7 56.7 -66.6 -35.6 35.1 66.7 78.3 328 330 A L H <>S+ 0 0 29 -4,-2.6 5,-2.5 2,-0.2 6,-0.5 0.883 110.6 44.3 -61.8 -42.3 32.3 65.1 76.2 329 331 A R H ><5S+ 0 0 157 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.902 108.9 56.5 -67.9 -35.5 30.2 68.2 76.9 330 332 A A H 3<5S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.835 110.1 45.8 -62.3 -29.0 33.2 70.5 76.3 331 333 A S T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 38,-0.1 -2,-0.2 0.288 116.3-117.5 -95.1 6.1 33.4 68.8 72.8 332 334 A R T <>5 + 0 0 55 -3,-1.6 4,-1.7 -5,-0.1 3,-0.3 0.696 65.4 144.6 67.1 27.2 29.6 69.2 72.2 333 335 A L H >4 S+ 0 0 111 -3,-0.3 3,-1.3 1,-0.2 -2,-0.2 0.799 101.6 60.8 -69.5 -30.8 24.7 68.9 71.0 336 338 A L H 3< S+ 0 0 143 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 102.0 55.3 -61.5 -32.1 25.4 66.2 68.3 337 339 A A T 3< S+ 0 0 88 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.521 92.8 86.2 -79.0 -7.1 22.5 64.2 69.9 338 340 A R S < S- 0 0 137 -3,-1.3 -3,-0.0 -4,-0.2 0, 0.0 -0.767 91.2 -98.0 -96.1 146.2 20.0 67.0 69.6 339 341 A P - 0 0 102 0, 0.0 3,-0.4 0, 0.0 4,-0.1 -0.180 21.8-140.5 -56.7 141.7 17.9 67.6 66.4 340 342 A T S S+ 0 0 142 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.874 93.7 7.7 -70.3 -37.7 19.3 70.2 64.0 341 343 A A > + 0 0 34 1,-0.1 3,-1.7 2,-0.0 -1,-0.2 -0.440 63.5 149.6-149.6 65.0 15.8 71.5 63.1 342 344 A A T 3 S+ 0 0 90 -3,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.772 77.0 71.3 -69.0 -20.7 13.0 70.0 65.2 343 345 A D T 3 S- 0 0 94 1,-0.2 4,-0.4 -4,-0.1 -1,-0.3 0.540 109.7-125.4 -62.6 -23.4 11.4 73.5 64.6 344 346 A G <> - 0 0 30 -3,-1.7 4,-2.5 1,-0.1 -1,-0.2 -0.009 26.1 -63.1 95.1 170.3 11.0 72.3 60.9 345 347 A L H > S+ 0 0 128 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.885 126.4 49.3 -59.1 -51.9 11.9 73.6 57.5 346 348 A Q H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 112.1 49.2 -59.6 -44.7 9.9 76.8 57.4 347 349 A A H > S+ 0 0 36 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.920 110.4 50.7 -58.8 -44.9 11.2 77.9 60.8 348 350 A L H >< S+ 0 0 70 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.897 110.5 50.1 -59.4 -44.2 14.8 77.2 59.7 349 351 A L H 3< S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.4 45.8 -63.9 -31.0 14.3 79.2 56.6 350 352 A D H 3< S+ 0 0 112 -4,-2.2 2,-1.0 -5,-0.2 -1,-0.2 0.587 87.4 104.8 -87.1 -6.8 12.9 82.2 58.6 351 353 A D X< - 0 0 56 -4,-0.9 3,-1.5 -3,-0.6 4,-0.3 -0.588 48.9-170.9 -81.6 107.1 15.6 82.0 61.2 352 354 A R G > >S+ 0 0 132 -2,-1.0 5,-4.1 1,-0.3 3,-1.2 0.745 83.5 65.6 -65.3 -23.3 18.0 84.9 60.7 353 355 A S G 3 5S+ 0 0 71 1,-0.3 -1,-0.3 3,-0.2 6,-0.1 0.592 94.7 59.1 -74.0 -14.6 20.4 83.5 63.3 354 356 A A G < 5S- 0 0 42 -3,-1.5 -1,-0.3 -6,-0.2 -2,-0.2 0.520 133.1 -17.6 -88.4 -10.6 21.0 80.4 61.1 355 357 A F T X 5S+ 0 0 177 -3,-1.2 3,-1.4 -4,-0.3 -3,-0.1 0.208 127.6 50.5-150.3 -71.8 22.3 82.6 58.2 356 358 A E T 3 5S+ 0 0 101 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.896 129.4 22.6 -58.2 -39.2 21.8 86.3 57.7 357 359 A E T 3 + 0 0 98 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 -0.786 25.0 179.0 -87.8 95.4 28.6 85.0 63.2 360 362 A V H > S+ 0 0 88 -2,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.790 76.0 56.2 -70.2 -35.6 30.8 82.4 61.3 361 363 A D H > S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.858 108.1 47.0 -62.9 -43.3 34.1 83.8 62.6 362 364 A A H > S+ 0 0 47 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.903 114.8 45.9 -66.0 -41.4 33.0 83.3 66.2 363 365 A A H >< S+ 0 0 21 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.943 111.6 53.3 -68.0 -40.3 31.8 79.8 65.6 364 366 A A H 3< S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.805 104.4 57.2 -60.3 -29.6 35.0 79.0 63.6 365 367 A A H 3< S+ 0 0 83 -4,-1.7 2,-0.5 -5,-0.1 -1,-0.3 0.650 80.9 102.0 -81.7 -12.6 37.2 80.1 66.5 366 368 A R S << S- 0 0 147 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.0 -0.573 71.2-134.4 -77.6 127.8 35.7 77.7 69.0 367 369 A G - 0 0 59 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.1 -0.355 2.5-140.7 -70.5 151.7 38.0 74.7 69.6 368 370 A M - 0 0 77 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.667 23.6-143.2 -83.3 -15.2 36.5 71.2 69.6 369 371 A A > + 0 0 50 1,-0.1 4,-1.6 3,-0.1 5,-0.1 0.769 51.4 142.6 54.4 31.7 38.8 70.1 72.4 370 372 A F H > + 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.830 60.7 57.9 -70.0 -31.8 39.1 66.6 70.8 371 373 A E H > S+ 0 0 155 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 105.6 49.2 -74.6 -36.5 42.7 66.0 71.7 372 374 A R H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.937 113.4 48.2 -62.8 -43.7 42.1 66.4 75.5 373 375 A L H X S+ 0 0 23 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.943 111.6 49.9 -58.2 -44.3 39.2 64.0 75.2 374 376 A D H X S+ 0 0 44 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.849 108.2 52.2 -70.5 -29.8 41.3 61.5 73.2 375 377 A Q H X S+ 0 0 101 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.858 107.3 52.8 -72.0 -35.3 44.2 61.6 75.7 376 378 A L H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.903 109.6 49.5 -58.6 -39.5 41.7 60.8 78.5 377 379 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.926 112.2 48.2 -62.9 -42.9 40.6 57.8 76.4 378 380 A M H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.950 111.1 49.4 -61.2 -45.8 44.3 56.9 76.0 379 381 A D H X>S+ 0 0 41 -4,-3.0 5,-3.0 1,-0.2 4,-0.8 0.892 112.6 48.4 -62.2 -41.8 45.0 57.2 79.8 380 382 A H H ><5S+ 0 0 18 -4,-2.5 3,-0.9 3,-0.2 -1,-0.2 0.936 110.9 50.0 -66.2 -43.3 41.9 55.1 80.5 381 383 A L H 3<5S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.6 43.2 -55.5 -43.8 42.9 52.4 78.0 382 384 A L H 3<5S- 0 0 115 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.486 110.4-119.2 -84.7 -7.9 46.5 52.2 79.5 383 385 A G T <<5S+ 0 0 56 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.840 76.6 128.1 76.8 32.4 45.3 52.3 83.2 384 386 A A < 0 0 58 -5,-3.0 -4,-0.2 -6,-0.2 -5,-0.1 -0.139 360.0 360.0-115.1 30.9 47.3 55.5 83.6 385 387 A R 0 0 129 -6,-0.3 -9,-0.0 -5,-0.2 -5,-0.0 -0.361 360.0 360.0 -61.2 360.0 44.6 57.8 85.1