==== 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 15-MAY-06 2H0I . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.HINIKER,B.HERAS,J.L.MARTIN,J.STUCKEY,J.C.A.BARDWELL . 458 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 0 0 3 1 4 2 0 2 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 6 0 2 2 2 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 . 0 0 2 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 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 2 A E 0 0 149 0, 0.0 448,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-147.7 72.5 55.7 34.1 2 3 A L - 0 0 23 1,-0.1 5,-0.1 2,-0.0 448,-0.0 -0.818 360.0 -98.8-106.4 140.3 69.3 54.4 35.9 3 4 A P >> - 0 0 39 0, 0.0 4,-2.3 0, 0.0 3,-1.0 -0.263 39.3-113.6 -55.3 137.1 67.5 56.0 38.9 4 5 A A H 3> S+ 0 0 76 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.841 112.6 48.5 -40.5 -56.6 68.5 54.4 42.2 5 6 A P H 3> S+ 0 0 25 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.850 114.6 46.1 -60.2 -31.8 65.2 52.8 43.1 6 7 A V H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.835 109.1 55.1 -77.5 -31.6 64.8 51.3 39.6 7 8 A K H X S+ 0 0 69 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.848 103.9 56.9 -67.7 -30.9 68.5 50.1 39.7 8 9 A A H < S+ 0 0 48 -4,-1.9 4,-0.2 -5,-0.3 -1,-0.2 0.911 109.7 43.1 -65.7 -41.7 67.5 48.3 43.0 9 10 A I H ><>S+ 0 0 24 -4,-1.2 3,-2.6 1,-0.2 5,-0.6 0.908 106.6 61.1 -69.8 -42.1 64.7 46.4 41.2 10 11 A E H >X5S+ 0 0 5 -4,-2.6 4,-1.2 1,-0.3 3,-1.0 0.860 101.0 55.5 -51.4 -36.8 67.0 45.7 38.2 11 12 A K T 3<5S+ 0 0 161 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.594 88.7 75.6 -74.5 -10.5 69.3 43.9 40.7 12 13 A Q T <45S- 0 0 145 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.278 132.4 -82.8 -82.8 13.2 66.3 41.6 41.7 13 14 A G T <45S+ 0 0 35 -3,-1.0 2,-0.4 1,-0.3 21,-0.3 0.736 89.1 137.6 93.9 26.0 66.9 39.9 38.4 14 15 A I << - 0 0 12 -4,-1.2 2,-0.5 -5,-0.6 -1,-0.3 -0.879 39.3-154.4-110.3 139.1 65.0 42.2 36.2 15 16 A T E -A 32 0A 31 17,-2.5 17,-2.1 -2,-0.4 2,-0.2 -0.947 16.7-136.1-112.7 122.1 66.1 43.4 32.7 16 17 A I E -A 31 0A 12 -2,-0.5 15,-0.3 15,-0.3 433,-0.1 -0.518 20.1-178.5 -79.7 141.2 64.7 46.8 31.5 17 18 A I E - 0 0 11 13,-3.8 428,-2.8 1,-0.4 2,-0.3 0.820 61.6 -31.1-102.1 -51.8 63.5 47.1 27.9 18 19 A K E -A 30 0A 22 12,-1.3 12,-2.5 426,-0.2 -1,-0.4 -0.963 55.2-109.8-161.5 170.2 62.5 50.7 27.6 19 20 A T E -A 29 0A 67 -2,-0.3 2,-0.3 426,-0.2 10,-0.3 -0.755 37.0-178.3-106.4 157.6 61.1 53.7 29.5 20 21 A F E -A 28 0A 33 8,-2.6 8,-3.2 -2,-0.3 2,-0.7 -0.961 33.5 -82.2-152.4 170.0 57.6 55.0 28.9 21 22 A D E -A 27 0A 158 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.663 41.7-174.0 -83.6 113.3 55.1 57.6 29.9 22 23 A A - 0 0 16 4,-1.4 3,-0.3 -2,-0.7 4,-0.3 -0.713 28.0-104.4-101.5 154.5 53.2 56.8 33.1 23 24 A P S > S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.190 93.7 36.6 -72.3 168.6 50.3 59.0 34.4 24 25 A G T 3 S- 0 0 69 1,-0.2 3,-0.1 19,-0.0 -2,-0.0 0.829 133.2 -57.6 58.2 39.8 50.5 61.4 37.3 25 26 A G T 3 S+ 0 0 70 -3,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.635 102.4 136.2 69.7 15.0 54.0 62.6 36.7 26 27 A M < - 0 0 38 -3,-1.2 -4,-1.4 -4,-0.3 2,-0.4 -0.639 49.0-138.2 -97.5 154.1 55.4 59.1 36.9 27 28 A K E -AB 21 42A 97 15,-1.2 15,-3.0 -2,-0.2 2,-0.3 -0.917 21.0-146.1-109.3 134.0 58.0 57.6 34.6 28 29 A G E -AB 20 41A 0 -8,-3.2 -8,-2.6 -2,-0.4 2,-0.4 -0.738 9.6-161.7-104.7 150.0 57.5 54.0 33.6 29 30 A Y E -AB 19 40A 8 11,-2.7 11,-2.5 -2,-0.3 2,-0.5 -0.984 7.2-155.5-130.9 120.1 60.0 51.2 32.9 30 31 A L E +AB 18 39A 2 -12,-2.5 -13,-3.8 -2,-0.4 -12,-1.3 -0.806 33.3 145.7 -92.4 131.0 59.0 48.1 30.9 31 32 A G E -AB 16 38A 0 7,-3.0 7,-2.9 -2,-0.5 2,-0.3 -0.817 36.7-117.3-150.1-169.6 61.1 45.1 31.7 32 33 A K E -AB 15 37A 28 -17,-2.1 -17,-2.5 5,-0.3 2,-0.4 -0.997 5.0-163.7-143.7 146.0 61.3 41.3 32.1 33 34 A Y E > S- B 0 36A 95 3,-2.8 3,-1.7 -2,-0.3 2,-0.4 -0.901 80.5 -47.6-130.8 101.5 62.0 38.7 34.8 34 35 A Q T 3 S- 0 0 102 -2,-0.4 -19,-0.1 -21,-0.3 -21,-0.0 -0.637 126.4 -22.7 66.4-122.2 62.7 35.4 33.0 35 36 A D T 3 S+ 0 0 14 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.597 118.7 99.3 -90.4 -12.7 59.8 35.2 30.5 36 37 A M E < -B 33 0A 55 -3,-1.7 -3,-2.8 230,-0.0 2,-0.2 -0.656 65.9-140.2 -86.7 120.8 57.5 37.5 32.4 37 38 A G E -B 32 0A 1 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.496 24.4-169.2 -74.5 144.5 57.2 41.2 31.4 38 39 A V E -B 31 0A 17 -7,-2.9 -7,-3.0 -2,-0.2 2,-0.4 -0.958 16.0-141.3-137.2 154.4 57.0 43.6 34.3 39 40 A T E -B 30 0A 3 13,-0.3 13,-1.8 -2,-0.3 2,-0.4 -0.956 13.6-169.2-118.4 134.8 56.2 47.3 34.7 40 41 A I E -BC 29 51A 1 -11,-2.5 -11,-2.7 -2,-0.4 2,-0.5 -0.964 6.6-155.6-122.9 139.7 58.0 49.7 37.2 41 42 A Y E -BC 28 50A 12 9,-2.1 9,-2.1 -2,-0.4 2,-0.4 -0.931 8.0-145.7-123.9 112.6 56.8 53.2 38.1 42 43 A L E -BC 27 49A 22 -15,-3.0 -15,-1.2 -2,-0.5 7,-0.2 -0.580 26.4-128.7 -74.1 125.2 59.2 55.9 39.3 43 44 A T > - 0 0 22 5,-2.5 3,-1.6 -2,-0.4 5,-0.2 -0.347 25.4-102.8 -72.1 156.1 57.3 58.0 41.8 44 45 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.846 120.2 59.4 -46.1 -44.8 57.3 61.9 41.4 45 46 A D T 3 S- 0 0 86 1,-0.1 -3,-0.0 2,-0.0 -2,-0.0 0.796 100.5-137.0 -58.5 -30.3 59.9 62.4 44.1 46 47 A G S < S+ 0 0 30 -3,-1.6 -1,-0.1 2,-0.3 -42,-0.1 0.321 82.9 92.7 89.7 -6.2 62.3 60.2 42.2 47 48 A K S S+ 0 0 152 -43,-0.1 2,-0.3 -42,-0.1 -5,-0.0 0.492 83.2 47.3 -97.8 -4.3 63.5 58.3 45.3 48 49 A H - 0 0 121 -5,-0.2 -5,-2.5 -44,-0.0 2,-0.3 -0.947 56.4-169.6-137.5 156.1 61.0 55.4 45.0 49 50 A A E -C 42 0A 26 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.989 14.2-143.4-146.9 137.1 59.7 53.0 42.4 50 51 A I E -C 41 0A 104 -9,-2.1 -9,-2.1 -2,-0.3 2,-0.8 -0.886 5.0-152.7-105.0 125.7 56.8 50.6 42.5 51 52 A S E +C 40 0A 71 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.849 58.7 72.5 -93.4 108.9 57.0 47.2 40.8 52 53 A G S S- 0 0 21 -13,-1.8 2,-0.5 -2,-0.8 -13,-0.3 -0.962 78.8 -45.6 179.2-159.8 53.4 46.3 40.0 53 54 A Y - 0 0 112 -2,-0.3 2,-0.4 -15,-0.1 -2,-0.0 -0.893 37.7-145.5-109.8 128.8 50.2 46.7 38.0 54 55 A M - 0 0 39 -2,-0.5 8,-1.5 7,-0.0 9,-1.0 -0.735 16.3-171.2 -91.8 132.8 48.6 50.0 37.1 55 56 A Y B -D 61 0B 143 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.948 8.1-149.9-121.2 144.7 44.8 50.2 37.0 56 57 A N > - 0 0 47 4,-1.3 3,-1.5 -2,-0.4 0, 0.0 -0.362 42.5 -82.3 -99.2-174.6 42.7 53.1 35.7 57 58 A E T 3 S+ 0 0 205 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.809 127.2 54.1 -60.0 -32.9 39.2 54.2 36.8 58 59 A K T 3 S- 0 0 186 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.492 118.5-107.6 -82.0 -4.9 37.4 51.6 34.6 59 60 A G < + 0 0 48 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.497 65.1 153.8 92.2 3.8 39.4 48.8 36.1 60 61 A E - 0 0 81 1,-0.1 2,-1.6 2,-0.0 -4,-1.3 -0.496 47.8-130.7 -69.2 130.7 41.6 48.2 33.0 61 62 A N B > -D 55 0B 20 -2,-0.2 4,-2.2 1,-0.2 3,-0.3 -0.676 28.1-176.6 -82.3 90.1 44.9 46.6 33.9 62 63 A L H > S+ 0 0 46 -2,-1.6 4,-2.6 -8,-1.5 5,-0.2 0.895 78.5 57.7 -56.3 -44.3 47.1 49.1 32.0 63 64 A S H > S+ 0 0 0 -9,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.898 108.7 46.6 -53.9 -43.3 50.3 47.3 32.8 64 65 A N H > S+ 0 0 19 -3,-0.3 4,-2.3 -10,-0.3 5,-0.3 0.920 110.4 52.3 -66.2 -44.2 48.8 44.1 31.2 65 66 A T H X S+ 0 0 35 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.887 113.8 43.7 -59.5 -40.5 47.6 46.0 28.1 66 67 A L H X S+ 0 0 36 -4,-2.6 4,-0.8 2,-0.2 5,-0.2 0.895 112.4 51.3 -73.0 -42.6 51.1 47.5 27.6 67 68 A I H >X>S+ 0 0 8 -4,-2.3 4,-3.6 -5,-0.2 3,-1.4 0.979 114.5 42.3 -59.0 -57.6 53.0 44.3 28.2 68 69 A E H 3<>S+ 0 0 14 -4,-2.3 5,-3.8 1,-0.3 4,-0.5 0.895 114.7 52.6 -55.7 -41.7 51.0 42.2 25.8 69 70 A K H 3<5S+ 0 0 122 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.582 124.9 24.6 -72.7 -10.0 51.0 45.1 23.3 70 71 A E H <<5S+ 0 0 11 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.577 132.9 28.3-128.5 -21.1 54.8 45.4 23.4 71 72 A I T <5S+ 0 0 20 -4,-3.6 4,-0.3 -5,-0.2 -3,-0.2 0.734 129.9 21.3-113.4 -36.8 56.2 42.0 24.5 72 73 A Y T > S+ 0 0 14 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.960 104.4 43.7 -55.4 -62.2 54.4 41.3 18.0 75 76 A A H > S+ 0 0 18 -4,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.847 113.1 54.0 -56.3 -37.8 55.8 37.9 17.6 76 77 A G H X S+ 0 0 3 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.876 103.1 54.1 -66.4 -39.7 52.4 36.3 17.4 77 78 A R H X S+ 0 0 97 -4,-1.8 4,-2.5 -3,-0.3 -1,-0.2 0.812 103.4 59.3 -65.6 -29.4 51.2 38.5 14.6 78 79 A E H X S+ 0 0 5 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.953 108.5 42.7 -62.4 -49.9 54.2 37.5 12.6 79 80 A M H X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.746 111.5 57.1 -68.4 -23.3 53.2 33.8 12.8 80 81 A W H X S+ 0 0 23 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.925 108.5 45.0 -72.5 -46.1 49.6 34.8 12.0 81 82 A Q H X S+ 0 0 49 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.949 112.1 51.8 -62.7 -48.3 50.6 36.6 8.8 82 83 A R H < S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 112.1 47.5 -57.2 -36.0 52.8 33.6 7.8 83 84 A M H >< S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.891 110.0 52.5 -69.9 -38.6 49.8 31.4 8.5 84 85 A E H 3< S+ 0 0 91 -4,-2.5 4,-0.2 1,-0.3 -2,-0.2 0.864 104.9 56.0 -63.9 -37.7 47.6 33.7 6.4 85 86 A Q T 3< S+ 0 0 140 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.372 91.8 97.4 -78.3 3.1 50.0 33.5 3.5 86 87 A S S < S- 0 0 24 -3,-1.3 2,-1.6 -5,-0.2 97,-0.0 -0.428 90.9 -99.6 -89.4 168.3 49.8 29.7 3.4 87 88 A H + 0 0 107 -2,-0.1 46,-0.3 96,-0.1 2,-0.2 -0.570 59.1 168.0 -88.8 72.8 47.6 27.6 1.1 88 89 A W - 0 0 63 -2,-1.6 2,-0.5 -4,-0.2 44,-0.2 -0.510 35.0-120.3 -85.8 154.7 44.9 26.9 3.6 89 90 A L E -E 131 0C 19 42,-2.8 42,-2.5 -2,-0.2 2,-0.2 -0.826 29.2-126.3 -97.9 132.9 41.5 25.4 2.9 90 91 A L E +E 130 0C 52 -2,-0.5 2,-0.3 40,-0.2 40,-0.2 -0.467 25.0 179.8 -80.5 147.5 38.4 27.4 3.7 91 92 A D E +E 129 0C 11 38,-1.0 38,-2.3 -2,-0.2 2,-0.2 -0.876 62.7 0.2-146.8 105.3 35.5 26.3 5.9 92 93 A G S S- 0 0 33 -2,-0.3 2,-0.2 36,-0.2 36,-0.1 -0.662 111.2 -16.3 110.9-168.2 32.8 28.9 6.3 93 94 A K > - 0 0 87 29,-0.4 3,-1.9 34,-0.3 -2,-0.1 -0.528 51.6-135.3 -76.1 136.5 32.4 32.4 5.1 94 95 A K T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.2 34,-0.1 0.665 109.0 49.3 -63.5 -14.5 35.6 34.1 3.7 95 96 A D T 3 S+ 0 0 109 32,-0.1 -1,-0.3 30,-0.0 -2,-0.1 0.054 74.4 139.4-114.2 23.8 34.4 37.1 5.7 96 97 A A < - 0 0 3 -3,-1.9 30,-0.2 1,-0.1 32,-0.2 -0.519 53.7-135.1 -66.6 133.4 33.7 35.4 9.1 97 98 A P S S+ 0 0 99 0, 0.0 2,-0.5 0, 0.0 30,-0.2 0.890 87.5 62.2 -59.4 -45.7 35.0 37.8 11.8 98 99 A V E S-f 127 0C 33 28,-2.4 30,-2.3 129,-0.1 2,-0.5 -0.747 72.5-160.0 -89.2 127.0 36.8 35.1 13.8 99 100 A I E -f 128 0C 38 -2,-0.5 106,-0.5 28,-0.2 2,-0.5 -0.919 8.6-175.8-110.7 127.8 39.6 33.3 12.1 100 101 A V E -f 129 0C 0 28,-2.5 30,-3.2 -2,-0.5 2,-0.4 -0.977 7.8-159.9-126.6 121.4 40.9 29.9 13.3 101 102 A Y E +fG 130 203C 0 102,-2.7 102,-3.4 -2,-0.5 2,-0.3 -0.792 12.8 179.2 -98.4 142.2 43.8 28.1 11.8 102 103 A V E -fG 131 202C 6 28,-1.9 30,-2.1 -2,-0.4 2,-0.6 -0.971 25.3-141.9-146.7 127.8 44.2 24.3 12.3 103 104 A F E +fG 132 201C 0 98,-2.5 98,-1.2 -2,-0.3 2,-0.3 -0.797 35.7 179.7 -86.9 122.8 46.9 21.9 11.1 104 105 A A E -f 133 0C 2 28,-1.1 30,-2.0 -2,-0.6 -2,-0.0 -0.910 20.2-152.5-127.0 154.8 45.0 18.7 10.2 105 106 A D - 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0 0 43 -2,-0.8 4,-1.4 -31,-0.2 5,-0.2 -0.125 11.2-125.0 -51.0 150.5 51.8 17.9 -8.4 178 179 A T H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.835 113.4 61.9 -67.9 -29.7 55.0 19.6 -7.1 179 180 A E H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 106.0 45.4 -60.6 -40.9 52.7 22.4 -6.2 180 181 A Q H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.771 110.6 51.5 -74.5 -28.4 50.9 20.1 -3.8 181 182 A M H X S+ 0 0 87 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.775 109.5 53.1 -78.4 -23.4 54.1 18.6 -2.4 182 183 A K H X S+ 0 0 104 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.905 107.0 49.8 -74.6 -42.6 55.2 22.2 -1.8 183 184 A V H X S+ 0 0 8 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.952 113.9 45.7 -60.1 -49.6 52.0 23.0 0.1 184 185 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.904 115.7 46.7 -60.4 -42.2 52.4 19.9 2.3 185 186 A S H X S+ 0 0 55 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.849 114.5 46.6 -69.2 -36.6 56.1 20.7 2.8 186 187 A D H X S+ 0 0 71 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.912 113.2 49.1 -71.1 -43.2 55.5 24.4 3.6 187 188 A N H X S+ 0 0 1 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.882 111.4 49.8 -62.9 -38.9 52.6 23.5 6.0 188 189 A E H X S+ 0 0 46 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.820 111.1 48.2 -71.4 -31.4 54.8 20.9 7.7 189 190 A K H X S+ 0 0 110 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.884 112.7 48.9 -74.2 -39.1 57.7 23.4 8.1 190 191 A L H < S+ 0 0 1 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.890 110.8 50.4 -66.1 -40.5 55.3 26.0 9.5 191 192 A M H ><>S+ 0 0 17 -4,-2.2 5,-2.1 1,-0.2 3,-0.7 0.886 112.9 47.0 -63.1 -40.8 53.8 23.5 11.9 192 193 A D H ><5S+ 0 0 114 -4,-1.6 3,-2.5 1,-0.2 -2,-0.2 0.907 105.4 58.2 -67.9 -43.0 57.4 22.6 13.1 193 194 A D T 3<5S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.587 105.6 52.8 -63.9 -9.7 58.3 26.2 13.4 194 195 A L T < 5S- 0 0 6 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.282 111.8-121.7-106.1 6.1 55.4 26.5 15.9 195 196 A G T < 5 + 0 0 24 -3,-2.5 2,-0.8 1,-0.2 -3,-0.2 0.755 58.1 156.7 59.2 21.8 56.7 23.6 18.0 196 197 A A < + 0 0 8 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.737 12.2 163.1 -83.5 109.7 53.3 21.9 17.2 197 198 A N + 0 0 104 -2,-0.8 2,-0.4 -3,-0.1 -1,-0.2 0.272 57.3 70.0-109.1 6.9 54.0 18.2 17.7 198 199 A V S S- 0 0 45 18,-0.0 -95,-0.1 -3,-0.0 18,-0.1 -0.959 79.4-116.3-127.3 142.6 50.3 17.3 17.9 199 200 A T S S+ 0 0 15 -2,-0.4 -89,-0.2 1,-0.2 -88,-0.2 -0.994 96.4 46.7-125.5 134.3 47.5 17.3 15.4 200 201 A P S S+ 0 0 0 0, 0.0 16,-2.3 0, 0.0 2,-0.6 0.375 73.9 177.7 -73.1 144.6 45.1 19.0 15.5 201 202 A A E -GH 103 215C 0 -98,-1.2 -98,-2.5 14,-0.2 2,-0.3 -0.973 12.8-166.2-114.6 111.8 47.2 22.1 16.2 202 203 A I E -GH 102 214C 0 12,-3.4 12,-1.5 -2,-0.6 2,-0.4 -0.805 7.1-167.8-105.7 145.0 44.8 25.1 16.4 203 204 A Y E +GH 101 213C 3 -102,-3.4 -102,-2.7 -2,-0.3 2,-0.3 -0.995 13.9 157.0-136.4 133.6 45.6 28.7 16.4 204 205 A Y E - H 0 212C 13 8,-1.5 8,-3.4 -2,-0.4 2,-0.4 -0.953 37.5-107.4-148.8 164.1 43.5 31.8 17.1 205 206 A M E - H 0 211C 39 -106,-0.5 6,-0.2 -2,-0.3 -106,-0.1 -0.806 29.4-135.2 -99.3 135.2 43.8 35.5 18.2 206 207 A S > - 0 0 32 4,-2.1 3,-1.9 -2,-0.4 -1,-0.0 -0.315 35.5 -97.5 -78.6 170.1 42.7 36.6 21.7 207 208 A K T 3 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.742 128.3 55.6 -61.2 -21.8 40.6 39.7 22.2 208 209 A E T 3 S- 0 0 87 2,-0.1 -1,-0.3 -140,-0.0 -135,-0.1 -0.012 121.9-108.4-100.0 27.8 43.9 41.5 23.0 209 210 A N S < S+ 0 0 86 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.800 72.0 137.1 49.9 44.3 45.3 40.4 19.6 210 211 A T - 0 0 2 -134,-0.1 -4,-2.1 -133,-0.0 2,-0.3 -0.939 59.6-103.7-118.9 142.3 47.8 37.8 20.9 211 212 A L E -H 205 0C 27 -2,-0.4 2,-0.3 -139,-0.3 -6,-0.2 -0.445 39.2-173.0 -68.1 123.4 48.4 34.4 19.3 212 213 A Q E -H 204 0C 20 -8,-3.4 -8,-1.5 -2,-0.3 2,-0.3 -0.770 2.3-162.5-112.8 159.1 46.9 31.5 21.1 213 214 A Q E -H 203 0C 15 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.899 9.1-170.5-137.5 165.9 47.3 27.8 20.4 214 215 A A E -H 202 0C 2 -12,-1.5 -12,-3.4 -2,-0.3 2,-0.4 -0.921 8.7-156.4-159.6 131.4 45.6 24.5 21.3 215 216 A M E -H 201 0C 17 32,-2.5 -14,-0.2 -2,-0.3 -16,-0.1 -0.918 58.4 -6.6-115.3 140.1 46.7 20.9 20.7 216 217 A G S S- 0 0 10 -16,-2.3 -14,-0.1 -2,-0.4 -18,-0.0 -0.408 115.4 -15.8 79.6-158.7 44.5 17.9 20.4 217 218 A L S S- 0 0 58 -18,-0.1 -2,-0.1 -2,-0.1 -106,-0.1 -0.736 73.7-129.6 -85.8 116.8 40.7 17.9 21.1 218 219 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 29,-0.1 -0.341 15.6-131.5 -65.4 142.6 39.7 21.1 23.0 219 220 A D > - 0 0 16 27,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.277 41.3 -85.0 -80.7 179.9 37.6 20.7 26.1 220 221 A Q H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.873 126.6 47.9 -57.1 -42.2 34.5 22.9 26.5 221 222 A K H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.993 116.0 42.1 -63.3 -60.8 36.3 25.9 27.9 222 223 A T H > S+ 0 0 5 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.896 112.9 54.9 -52.3 -44.3 39.0 26.0 25.4 223 224 A L H X S+ 0 0 5 -4,-3.0 4,-2.4 1,-0.2 6,-0.3 0.931 109.0 48.7 -56.2 -45.8 36.6 25.3 22.5 224 225 A N H <>S+ 0 0 42 -4,-2.3 5,-1.2 -5,-0.2 -1,-0.2 0.862 113.3 46.0 -63.8 -36.7 34.5 28.2 23.6 225 226 A I H ><5S+ 0 0 62 -4,-2.1 3,-2.0 4,-0.2 -2,-0.2 0.934 111.4 51.0 -72.5 -44.5 37.5 30.5 23.8 226 227 A I H 3<5S+ 0 0 1 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.910 108.1 54.5 -56.4 -42.9 38.9 29.3 20.4 227 228 A M T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.354 114.1-119.6 -74.8 6.4 35.4 30.0 18.9 228 229 A G T < 5 0 0 12 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.490 360.0 360.0 68.5 0.3 35.6 33.6 20.2 229 230 A N < 0 0 121 -5,-1.2 -4,-0.2 -6,-0.3 -5,-0.1 0.988 360.0 360.0 -60.5 360.0 32.5 32.6 22.1 230 !* 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 0.0 231 2 B E 0 0 145 0, 0.0 3,-0.1 0, 0.0 -12,-0.0 0.000 360.0 360.0 360.0-118.7 36.4 16.0 29.8 232 3 B L - 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