==== 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 1XIH . 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) . 19240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.8 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 . 41 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 38.2 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 0 2 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 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 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 0 106 0, 0.0 308,-0.2 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 54.6 39.3 38.9 83.6 2 4 A Q - 0 0 147 307,-0.1 2,-0.3 304,-0.0 43,-0.1 -0.686 360.0-133.7 -95.9 118.5 37.7 35.4 83.7 3 5 A P - 0 0 15 0, 0.0 303,-0.0 0, 0.0 302,-0.0 -0.521 16.0-164.5 -69.1 152.1 35.0 34.7 81.2 4 6 A T > - 0 0 59 -2,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.915 40.7-105.2-125.1 167.9 31.9 33.2 82.1 5 7 A P G > S+ 0 0 58 0, 0.0 3,-1.9 0, 0.0 42,-0.2 0.899 118.8 70.1 -69.7 -4.4 29.3 31.6 79.6 6 8 A E G 3 S+ 0 0 153 1,-0.3 41,-0.0 2,-0.1 0, 0.0 0.724 85.7 69.3 -69.1 -35.5 27.0 35.0 80.5 7 9 A D G < S- 0 0 31 -3,-2.4 -1,-0.3 38,-0.2 275,-0.2 0.633 106.0-133.9 -59.7 -18.2 29.8 37.0 78.4 8 10 A R < + 0 0 62 -3,-1.9 274,-2.9 -4,-0.4 2,-0.4 0.805 39.0 173.4 67.3 40.7 28.4 35.2 75.4 9 11 A F E +a 282 0A 1 -5,-0.4 38,-3.2 36,-0.3 39,-1.4 -0.562 3.5 176.9 -87.0 125.5 31.8 34.2 74.0 10 12 A T E -ab 283 48A 0 272,-2.4 274,-2.9 -2,-0.4 2,-0.3 -0.889 12.7-164.3-129.0 162.2 31.7 31.8 70.9 11 13 A F E -ab 284 49A 0 37,-1.1 39,-1.6 -2,-0.3 2,-0.2 -0.999 22.7-119.1-142.5 141.6 34.3 30.3 68.6 12 14 A G E >> - b 0 50A 0 272,-1.3 3,-1.7 -2,-0.3 4,-0.8 -0.499 23.1-126.6 -75.4 149.3 34.1 28.6 65.2 13 15 A L H 3> S+ 0 0 11 37,-2.2 4,-1.4 1,-0.3 -1,-0.1 0.842 112.3 56.9 -52.8 -32.6 35.3 24.9 65.0 14 16 A W H 34 S+ 0 0 41 2,-0.2 -1,-0.3 3,-0.2 4,-0.1 0.431 98.1 63.1 -81.2 -10.3 37.6 26.0 62.2 15 17 A T H X4 S+ 0 0 0 -3,-1.7 3,-1.8 2,-0.2 -2,-0.2 0.922 115.7 23.3 -83.2 -68.1 39.2 28.6 64.3 16 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.771 124.0 61.2 -66.4 -16.6 41.0 26.6 67.1 17 19 A G T 3< S+ 0 0 21 -4,-1.4 2,-0.4 -5,-0.3 15,-0.3 0.455 72.5 127.4 -88.6 3.9 40.8 23.7 64.5 18 20 A W < - 0 0 54 -3,-1.8 -3,-0.0 1,-0.2 12,-0.0 -0.477 47.7-158.5 -68.2 123.0 43.0 25.5 61.9 19 21 A Q - 0 0 48 -2,-0.4 9,-2.2 1,-0.1 10,-1.5 0.498 40.0-109.7 -79.2 -11.6 45.8 23.2 61.0 20 22 A G + 0 0 0 1,-0.3 2,-0.2 7,-0.3 270,-0.1 0.482 60.2 154.3 95.6 15.9 48.1 26.0 59.8 21 23 A R + 0 0 142 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.439 17.6 172.5 -68.0 132.3 48.1 25.4 56.0 22 24 A D B > -F 25 0B 66 3,-1.9 3,-1.5 -2,-0.2 5,-0.0 -0.794 52.1 -83.5-135.4 175.4 48.8 28.7 54.3 23 25 A P T 3 S+ 0 0 122 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 0.780 130.6 29.6 -58.0 -25.7 49.5 29.7 50.6 24 26 A F T 3 S+ 0 0 198 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.200 116.5 52.9-115.1 20.2 53.2 28.7 51.2 25 27 A G B < -F 22 0B 16 -3,-1.5 -3,-1.9 0, 0.0 3,-0.1 -0.998 67.0-115.3-159.3 153.8 53.2 26.0 53.8 26 28 A D - 0 0 133 -2,-0.3 -2,-0.1 -5,-0.2 2,-0.0 -0.269 55.6 -72.9 -86.5 164.4 52.0 22.6 55.0 27 29 A A - 0 0 35 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.262 37.4-169.7 -53.2 147.2 49.8 22.0 58.1 28 30 A T + 0 0 67 -9,-2.2 2,-0.3 1,-0.1 -8,-0.2 0.466 69.3 51.7-112.6 -5.0 51.9 22.3 61.4 29 31 A R S S- 0 0 15 -10,-1.5 -1,-0.1 264,-0.1 -8,-0.1 -0.956 84.0-112.7-140.9 142.8 49.1 20.9 63.6 30 32 A R - 0 0 129 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.363 47.2 -87.0 -70.0 158.2 47.1 17.7 63.6 31 33 A A - 0 0 57 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.434 41.9-134.2 -68.6 131.6 43.3 17.8 63.0 32 34 A L - 0 0 20 -15,-0.3 -1,-0.1 -19,-0.1 -13,-0.0 -0.858 15.2-119.6 -85.3 145.6 41.3 18.4 66.1 33 35 A D >> - 0 0 53 -2,-0.5 4,-1.9 1,-0.1 3,-0.8 -0.651 22.5-128.9 -66.0 127.3 38.1 16.2 66.8 34 36 A P H 3> S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.830 110.1 57.7 -42.8 -37.4 35.1 18.7 67.1 35 37 A V H 3> S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.960 104.9 49.5 -68.6 -30.2 34.3 16.9 70.5 36 38 A E H <> S+ 0 0 67 -3,-0.8 4,-2.6 1,-0.2 5,-0.2 0.868 110.4 49.4 -65.8 -43.2 37.7 17.7 71.8 37 39 A S H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.902 108.0 54.3 -64.3 -37.5 37.3 21.3 70.9 38 40 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.964 112.0 43.8 -58.7 -45.1 33.9 21.6 72.5 39 41 A Q H X S+ 0 0 81 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.935 116.1 46.7 -67.5 -35.9 35.3 20.3 75.8 40 42 A R H X S+ 0 0 66 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.880 113.1 47.9 -74.7 -38.9 38.4 22.5 75.7 41 43 A L H >X>S+ 0 0 0 -4,-2.7 5,-2.2 -5,-0.2 4,-0.8 0.955 109.7 54.7 -68.0 -35.0 36.5 25.6 74.8 42 44 A A H ><5S+ 0 0 28 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.909 106.5 51.3 -62.7 -44.7 33.9 24.9 77.6 43 45 A E H 3<5S+ 0 0 140 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.796 104.9 56.6 -61.7 -33.4 36.8 24.7 80.1 44 46 A L H <<5S- 0 0 37 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.609 125.3 -99.2 -74.6 -11.9 38.1 28.1 79.0 45 47 A G T <<5 + 0 0 7 -3,-1.0 -36,-0.3 -4,-0.8 -3,-0.2 0.614 68.9 151.7 113.4 5.5 34.8 29.8 79.7 46 48 A A < - 0 0 3 -5,-2.2 -1,-0.3 1,-0.1 -36,-0.2 -0.452 39.6-147.5 -77.2 161.6 33.2 29.9 76.2 47 49 A H - 0 0 41 -38,-3.2 36,-2.0 1,-0.3 2,-0.3 0.718 67.0 -30.0-106.2 -19.4 29.4 29.9 75.9 48 50 A G E -bc 10 83A 0 -39,-1.4 -37,-1.1 34,-0.2 2,-0.3 -0.982 52.5-116.6-174.2-170.4 29.2 28.0 72.5 49 51 A V E -b 11 0A 0 34,-2.2 37,-0.5 -2,-0.3 2,-0.2 -0.890 14.1-147.9-133.1 168.3 30.6 27.1 69.2 50 52 A T E -b 12 0A 0 -39,-1.6 -37,-2.2 -2,-0.3 2,-0.3 -0.780 17.1-166.1-134.4 167.0 29.7 27.5 65.4 51 53 A F E -g 87 0C 0 35,-0.6 37,-2.1 -2,-0.2 2,-0.4 -0.998 23.7-129.9-151.9 147.4 30.3 25.3 62.5 52 54 A H E >> -g 88 0C 15 -2,-0.3 3,-1.9 35,-0.2 4,-1.2 -0.852 41.7-113.1 -78.1 152.1 30.4 24.9 58.7 53 55 A D H >> S+ 0 0 13 35,-1.6 4,-2.7 -2,-0.4 3,-1.0 0.889 120.2 48.6 -40.3 -50.1 28.6 21.9 57.4 54 56 A D H 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.649 100.6 64.7 -88.8 1.2 31.9 20.5 56.4 55 57 A D H <4 S+ 0 0 48 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.777 116.4 28.4 -72.9 -35.3 33.6 21.2 59.7 56 58 A L H << S+ 0 0 4 -4,-1.2 -2,-0.2 -3,-1.0 -3,-0.1 0.822 127.7 37.5 -97.9 -42.7 31.3 18.8 61.4 57 59 A I S < S- 0 0 11 -4,-2.7 -1,-0.3 -5,-0.3 3,-0.1 -0.951 90.0-117.6-117.5 112.3 30.4 16.3 58.7 58 60 A P > - 0 0 65 0, 0.0 3,-2.2 0, 0.0 -3,-0.1 -0.180 42.1 -95.9 -50.8 127.2 33.2 15.3 56.1 59 61 A F T 3 S+ 0 0 93 1,-0.3 -5,-0.0 -5,-0.2 -6,-0.0 -0.397 112.6 24.5 -47.7 125.2 32.4 16.2 52.7 60 62 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.345 85.4 158.4 96.7 -3.2 30.9 13.2 51.0 61 63 A S < - 0 0 21 -3,-2.2 -1,-0.3 1,-0.1 2,-0.1 -0.284 39.9-118.1 -43.4 137.9 29.7 11.5 54.1 62 64 A S > - 0 0 53 1,-0.1 4,-4.0 4,-0.1 5,-0.2 -0.339 30.1-104.6 -67.5 174.6 26.9 8.9 53.9 63 65 A D H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.869 123.0 52.5 -78.1 -19.3 23.7 9.4 55.7 64 66 A S H > S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.943 113.7 42.5 -82.3 -37.5 24.8 6.8 58.3 65 67 A E H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.930 110.8 59.0 -68.2 -46.6 28.2 8.7 59.0 66 68 A R H >X S+ 0 0 45 -4,-4.0 4,-2.3 1,-0.2 3,-0.7 0.985 107.9 43.3 -44.9 -52.1 26.4 12.0 58.9 67 69 A E H 3X S+ 0 0 138 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.735 110.2 55.8 -68.9 -38.3 24.2 11.0 61.7 68 70 A E H 3X S+ 0 0 106 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.3 0.878 110.3 48.0 -54.6 -40.9 27.2 9.4 63.8 69 71 A H H S+ 0 0 11 -4,-1.8 4,-2.1 2,-0.2 5,-0.6 0.912 112.4 49.0 -65.4 -40.3 27.2 19.8 73.9 78 80 A D H <5S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.856 111.4 50.0 -66.6 -34.1 25.0 18.0 76.4 79 81 A D H <5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.783 122.9 29.6 -72.9 -22.2 28.0 17.1 78.5 80 82 A T H <5S- 0 0 46 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.628 98.2-122.8-118.7 -12.1 29.4 20.7 78.6 81 83 A G T <5 + 0 0 45 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.606 57.9 154.3 73.9 14.7 26.3 22.9 78.3 82 84 A M < - 0 0 8 -5,-0.6 2,-0.3 -6,-0.4 -34,-0.2 -0.484 30.2-146.4 -79.7 149.4 27.7 24.6 75.1 83 85 A K B -c 48 0A 111 -36,-2.0 -34,-2.2 -2,-0.2 45,-0.1 -0.752 11.1-137.0-101.6 171.8 25.3 26.1 72.7 84 86 A V + 0 0 6 43,-0.5 -34,-0.1 -2,-0.3 -36,-0.1 -0.860 30.0 164.0-128.8 92.3 25.3 26.5 68.9 85 87 A P + 0 0 6 0, 0.0 45,-1.8 0, 0.0 46,-1.3 0.637 63.1 29.3 -82.4 -20.0 24.1 30.0 68.2 86 88 A M E - h 0 131C 2 -37,-0.5 -35,-0.6 43,-0.2 2,-0.3 -0.981 57.1-178.9-148.9 138.5 25.2 30.1 64.5 87 89 A A E -gh 51 132C 0 44,-1.6 46,-2.7 -2,-0.3 2,-0.3 -0.948 6.0-177.7-135.5 163.6 25.8 27.9 61.7 88 90 A T E -gh 52 133C 6 -37,-2.1 -35,-1.6 -2,-0.3 2,-0.4 -0.910 24.1-108.0-156.2 164.8 27.0 28.3 58.1 89 91 A T - 0 0 11 44,-0.6 2,-1.0 -2,-0.3 46,-0.3 -0.916 21.4-131.1 -98.3 141.9 27.8 26.5 54.7 90 92 A N + 0 0 11 -2,-0.4 4,-0.1 1,-0.1 -38,-0.0 -0.741 44.6 150.8 -85.0 98.6 31.2 25.8 53.2 91 93 A L + 0 0 16 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.237 64.9 57.2-114.7 33.4 30.7 27.1 49.6 92 94 A F S S+ 0 0 37 45,-0.1 8,-0.1 46,-0.1 -2,-0.1 0.612 90.6 56.9-129.8 -30.0 34.4 27.9 49.2 93 95 A T S S+ 0 0 94 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.911 82.4 81.6 -80.0 -54.8 36.8 24.9 49.7 94 96 A H S > S- 0 0 70 -4,-0.1 3,-2.3 1,-0.1 4,-0.0 -0.427 83.7-123.9 -53.9 141.8 35.7 22.3 47.3 95 97 A P G > S+ 0 0 91 0, 0.0 3,-2.0 0, 0.0 4,-0.1 0.768 108.0 72.2 -55.1 -30.2 37.1 22.8 43.6 96 98 A V G 3 S+ 0 0 52 1,-0.3 3,-0.5 2,-0.1 13,-0.1 0.861 96.8 52.6 -56.3 -26.7 33.4 22.8 42.3 97 99 A F G X S+ 0 0 1 -3,-2.3 3,-1.9 1,-0.2 -1,-0.3 0.240 71.4 117.4 -94.2 20.6 33.1 26.3 44.0 98 100 A K T < S+ 0 0 150 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.759 86.4 33.7 -64.0 -23.0 36.2 27.8 42.3 99 101 A D T 3 S- 0 0 38 1,-0.5 41,-0.4 -3,-0.5 -1,-0.3 0.190 131.1 -80.9-109.7 14.9 34.0 30.4 40.5 100 102 A G < - 0 0 0 -3,-1.9 -1,-0.5 39,-0.1 39,-0.1 -0.574 28.3-112.2 114.8 170.8 31.6 30.9 43.3 101 103 A G S > S+ 0 0 0 -2,-0.2 3,-0.9 -3,-0.1 12,-0.3 0.663 107.4 18.3-106.8 -75.0 28.5 29.2 44.8 102 104 A F T 3 S+ 0 0 10 1,-0.2 57,-0.1 11,-0.1 8,-0.1 0.680 138.9 37.1 -77.4 -21.0 25.4 31.4 44.4 103 105 A T T 3 S+ 0 0 4 53,-0.1 -1,-0.2 -4,-0.0 37,-0.1 0.105 80.1 137.6-113.4 10.5 27.1 33.4 41.6 104 106 A A < - 0 0 4 -3,-0.9 6,-0.2 1,-0.1 -4,-0.1 -0.349 60.7-127.5 -57.9 136.6 29.1 30.7 39.8 105 107 A N S S+ 0 0 95 -6,-0.2 2,-0.4 41,-0.1 -1,-0.1 0.899 92.8 81.9 -54.0 -36.7 28.8 31.2 36.1 106 108 A D S > S- 0 0 100 1,-0.2 4,-1.7 2,-0.1 3,-0.3 -0.555 72.2-152.3 -70.4 123.6 27.7 27.4 35.7 107 109 A R H > S+ 0 0 151 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.890 93.7 58.8 -64.5 -35.3 24.0 27.3 36.5 108 110 A D H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.861 105.5 50.4 -63.8 -36.9 24.3 23.6 37.7 109 111 A V H > S+ 0 0 14 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.902 107.1 52.6 -60.9 -47.1 26.8 24.8 40.3 110 112 A R H X S+ 0 0 51 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.895 110.3 48.4 -63.3 -31.2 24.5 27.5 41.6 111 113 A R H X S+ 0 0 149 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.931 112.0 49.3 -70.3 -39.1 21.6 25.0 42.0 112 114 A Y H X S+ 0 0 92 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.921 107.7 55.2 -62.9 -39.6 24.0 22.6 43.9 113 115 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 -12,-0.3 -1,-0.2 0.865 109.2 47.0 -61.7 -41.0 25.2 25.5 46.2 114 116 A L H X S+ 0 0 27 -4,-1.5 4,-3.1 -5,-0.2 -1,-0.2 0.948 112.0 49.6 -70.6 -35.9 21.5 26.2 47.2 115 117 A R H X S+ 0 0 186 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.893 111.3 48.8 -66.7 -41.6 20.8 22.5 47.9 116 118 A K H X S+ 0 0 19 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.899 113.0 48.4 -63.5 -44.3 24.0 22.2 50.0 117 119 A T H X S+ 0 0 3 -4,-2.1 4,-2.0 -5,-0.2 3,-0.3 0.962 110.9 50.4 -57.9 -46.3 23.0 25.4 52.0 118 120 A I H X S+ 0 0 37 -4,-3.1 4,-2.0 1,-0.3 3,-0.2 0.940 106.4 53.9 -67.4 -35.7 19.3 24.2 52.6 119 121 A R H X S+ 0 0 108 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.918 111.4 46.1 -58.8 -40.0 20.4 20.8 53.9 120 122 A N H X S+ 0 0 2 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.785 103.9 61.8 -79.7 -28.6 22.6 22.6 56.5 121 123 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 -3,-0.2 5,-0.2 0.956 103.7 50.8 -54.4 -44.0 19.8 25.1 57.5 122 124 A D H X S+ 0 0 54 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.953 112.4 47.0 -58.9 -43.3 17.7 22.1 58.6 123 125 A L H X S+ 0 0 6 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.868 110.2 51.7 -58.4 -51.9 20.7 20.9 60.7 124 126 A A H X>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 4,-0.5 0.945 110.0 48.7 -50.8 -53.4 21.3 24.3 62.2 125 127 A V H ><5S+ 0 0 46 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.932 109.5 53.8 -56.1 -43.0 17.7 24.6 63.3 126 128 A E H 3<5S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.882 109.4 47.7 -55.2 -41.5 17.9 21.1 64.8 127 129 A L H 3<5S- 0 0 12 -4,-2.2 -43,-0.5 -5,-0.1 -1,-0.3 0.464 122.1-104.9 -92.7 9.5 20.9 22.2 66.9 128 130 A G T <<5 + 0 0 42 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.1 0.612 59.4 162.2 94.1 5.7 19.3 25.4 68.1 129 131 A A < - 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0 0 56 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.1 -0.377 1.0-143.5 -71.1 142.3 37.9 74.9 69.5 368 370 A M - 0 0 80 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.690 22.8-146.2 -81.4 -15.1 36.4 71.4 69.3 369 371 A A > + 0 0 51 1,-0.1 4,-1.6 3,-0.1 -38,-0.1 0.760 50.4 141.9 55.6 30.3 38.7 70.2 72.3 370 372 A F H > + 0 0 105 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.802 60.9 59.1 -67.3 -36.7 38.9 66.7 70.7 371 373 A E H > S+ 0 0 158 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 105.1 47.3 -68.7 -36.1 42.6 66.2 71.6 372 374 A R H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.956 114.0 49.1 -62.6 -49.1 42.0 66.6 75.3 373 375 A L H X S+ 0 0 24 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.928 111.2 49.1 -50.4 -53.6 39.1 64.2 75.0 374 376 A D H X S+ 0 0 47 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.879 108.4 52.6 -63.1 -31.0 41.2 61.7 73.0 375 377 A Q H X S+ 0 0 98 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.923 106.4 53.7 -71.3 -34.4 44.1 61.8 75.6 376 378 A L H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.891 109.9 48.4 -52.2 -50.5 41.5 61.0 78.4 377 379 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.893 112.5 49.6 -56.6 -48.3 40.5 57.9 76.2 378 380 A M H X S+ 0 0 49 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.976 110.5 48.0 -55.0 -50.9 44.2 57.1 75.9 379 381 A D H X>S+ 0 0 41 -4,-3.1 5,-3.5 1,-0.3 4,-1.1 0.887 114.2 48.1 -59.3 -41.1 44.9 57.4 79.7 380 382 A H H <5S+ 0 0 18 -4,-2.5 3,-0.4 3,-0.2 -1,-0.3 0.892 110.6 49.1 -62.3 -53.5 41.8 55.2 80.4 381 383 A L H <5S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.934 116.1 45.3 -53.3 -36.7 42.8 52.5 77.8 382 384 A L H <5S- 0 0 113 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.668 110.2-120.2 -88.5 -8.4 46.3 52.4 79.3 383 385 A G T <5S+ 0 0 53 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.841 77.5 127.3 80.6 16.8 45.1 52.3 82.9 384 386 A A < 0 0 57 -5,-3.5 -4,-0.2 -6,-0.2 -5,-0.1 -0.118 360.0 360.0-109.7 41.6 47.1 55.7 83.3 385 387 A R 0 0 126 -6,-0.4 -9,-0.0 -5,-0.1 -5,-0.0 -0.006 360.0 360.0 -73.0 360.0 44.4 57.6 84.8