==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 08-AUG-08 2W04 . COMPND 2 MOLECULE: ACSD; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR S.SCHMELZ,S.A.MCMAHON,N.KADI,L.SONG,D.OVES-COSTALES,M.OKE, . 1150 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 57 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 371 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.4 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 2 2 2 3 8 1 2 2 0 2 0 0 2 2 0 0 2 2 1 1 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 10 12 8 2 4 4 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 . 3 6 2 0 4 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 6 A H > 0 0 121 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -28.6 -14.7 35.4 -9.3 2 7 A D H > + 0 0 113 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 360.0 48.3 -78.4 -45.0 -11.9 37.1 -11.1 3 8 A V H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 111.9 52.5 -57.1 -43.1 -9.9 34.0 -12.1 4 9 A L H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 108.3 50.0 -62.8 -40.1 -13.2 32.6 -13.4 5 10 A S H X S+ 0 0 2 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.881 109.1 51.3 -67.8 -37.6 -13.8 35.7 -15.4 6 11 A R H X S+ 0 0 113 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.890 111.6 49.3 -63.1 -37.2 -10.3 35.4 -16.9 7 12 A M H X S+ 0 0 11 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.892 109.4 49.9 -71.3 -39.2 -11.1 31.8 -17.8 8 13 A I H X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.956 111.0 49.4 -62.4 -51.8 -14.4 32.6 -19.4 9 14 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.802 108.7 52.9 -59.6 -37.8 -12.9 35.4 -21.6 10 15 A E H X S+ 0 0 43 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.889 109.2 48.2 -66.9 -41.2 -10.0 33.1 -22.8 11 16 A K H X S+ 0 0 37 -4,-1.8 4,-2.0 -3,-0.2 -2,-0.2 0.895 112.7 49.5 -65.7 -39.9 -12.4 30.4 -23.9 12 17 A A H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.959 113.0 46.6 -59.9 -52.5 -14.5 33.0 -25.7 13 18 A A H X S+ 0 0 24 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.889 112.3 47.7 -62.1 -44.9 -11.5 34.5 -27.4 14 19 A L H X S+ 0 0 20 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.900 110.2 54.9 -66.8 -36.5 -10.0 31.2 -28.5 15 20 A H H X S+ 0 0 17 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.936 107.1 48.7 -58.5 -49.6 -13.4 30.1 -29.8 16 21 A G H X S+ 0 0 8 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.826 112.0 50.8 -61.4 -30.1 -13.7 33.2 -32.0 17 22 A L H X S+ 0 0 7 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.879 107.3 51.9 -76.7 -39.0 -10.2 32.5 -33.3 18 23 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.933 105.2 56.5 -59.9 -46.9 -11.0 28.9 -34.1 19 24 A N H X S+ 0 0 11 -4,-2.7 4,-3.1 147,-0.2 5,-0.4 0.938 110.2 45.3 -46.1 -53.5 -14.0 30.1 -36.0 20 25 A C H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 5,-0.4 0.887 113.6 49.2 -55.9 -45.7 -11.6 32.3 -38.1 21 26 A L H X>S+ 0 0 1 -4,-2.6 5,-2.6 3,-0.2 4,-1.7 0.925 117.6 39.5 -63.8 -44.5 -9.1 29.5 -38.5 22 27 A I H <>S+ 0 0 0 -4,-3.3 5,-2.5 3,-0.2 -2,-0.2 0.939 121.2 40.2 -75.5 -51.4 -11.7 27.0 -39.6 23 28 A K H <5S+ 0 0 9 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.925 124.0 37.4 -61.7 -46.3 -13.9 29.2 -41.8 24 29 A E H <5S- 0 0 5 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.815 136.2 -0.4 -87.6 -30.6 -11.1 31.1 -43.5 25 30 A F T X5S+ 0 0 3 -4,-1.7 4,-2.2 -5,-0.4 6,-0.4 0.724 119.0 57.9-119.8 -53.0 -8.3 28.5 -44.0 26 31 A A T 4XS+ 0 0 0 -5,-2.6 5,-2.6 1,-0.2 6,-0.9 0.908 115.3 32.7 -60.8 -49.9 -9.0 25.0 -42.8 27 32 A I T >4 + 0 0 41 -2,-0.3 3,-2.2 -3,-0.1 -1,-0.1 0.358 31.0 138.8-121.5 -0.7 -2.8 10.6 -28.5 41 46 A K T 3 + 0 0 123 1,-0.3 56,-2.2 55,-0.0 55,-0.2 -0.260 65.9 39.7 -49.7 118.2 -0.1 11.0 -25.7 42 47 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 54,-0.2 57,-0.1 0.046 90.7 97.7 125.8 -23.2 -0.7 14.4 -24.2 43 48 A I S < S- 0 0 13 -3,-2.2 -1,-0.3 46,-0.1 -3,-0.0 -0.859 71.0-132.7 -97.5 123.5 -4.5 14.5 -24.1 44 49 A P > - 0 0 13 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.564 21.0-121.9 -74.6 142.5 -6.1 13.5 -20.8 45 50 A P G >> S+ 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-1.9 0.863 108.7 68.0 -52.5 -41.6 -9.0 11.0 -21.4 46 51 A G G 34 S+ 0 0 30 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 0.503 89.1 66.4 -53.7 -9.5 -11.4 13.5 -19.7 47 52 A A G <4 S+ 0 0 11 -3,-2.7 -1,-0.3 1,-0.1 25,-0.2 0.725 119.8 14.5 -88.6 -24.0 -11.1 15.8 -22.7 48 53 A Y T <4 S+ 0 0 22 -3,-2.0 7,-3.2 -4,-0.4 2,-0.4 0.419 121.8 64.9-128.3 -5.1 -12.7 13.6 -25.3 49 54 A F B < -F 54 0B 7 -4,-1.9 5,-0.2 5,-0.3 -1,-0.2 -0.970 53.4-170.3-132.0 119.7 -14.4 11.0 -23.2 50 55 A D - 0 0 84 3,-2.7 4,-0.1 -2,-0.4 -4,-0.1 0.280 59.0 -93.1 -94.0 10.1 -17.2 11.8 -20.8 51 56 A G S S+ 0 0 1 2,-0.3 538,-0.1 1,-0.1 3,-0.1 -0.229 123.2 41.2 104.8 -39.0 -17.4 8.5 -18.9 52 57 A A S S- 0 0 24 1,-0.3 2,-0.3 913,-0.1 913,-0.1 0.799 122.0 -6.7-107.4 -43.1 -20.1 7.2 -21.3 53 58 A D S S- 0 0 88 911,-0.1 -3,-2.7 532,-0.0 -1,-0.3 -0.894 81.6 -71.0-147.1 172.4 -19.1 8.3 -24.8 54 59 A W B -F 49 0B 59 -2,-0.3 2,-2.1 -5,-0.2 -5,-0.3 -0.469 56.3-110.7 -62.1 144.0 -16.7 10.3 -26.9 55 60 A K S S- 0 0 45 -7,-3.2 2,-0.3 -2,-0.1 30,-0.2 -0.447 70.9 -68.6 -82.1 68.6 -17.5 14.0 -26.4 56 61 A G S S- 0 0 36 -2,-2.1 18,-0.2 16,-0.1 -2,-0.1 -0.644 93.6 -21.0 81.1-139.5 -18.9 14.5 -29.9 57 62 A I E - B 0 73A 33 16,-3.3 16,-3.1 -2,-0.3 2,-0.4 -0.826 60.9-116.0-115.7 139.7 -16.6 14.3 -32.9 58 63 A P E - B 0 72A 10 0, 0.0 2,-0.5 0, 0.0 -23,-0.3 -0.625 25.6-155.7 -75.4 129.6 -12.7 14.8 -33.2 59 64 A M E - B 0 71A 0 12,-3.0 12,-1.7 -2,-0.4 2,-0.4 -0.932 8.7-169.4-108.8 123.6 -11.5 17.7 -35.3 60 65 A M E -AB 33 70A 16 -27,-3.4 -27,-2.5 -2,-0.5 2,-0.4 -0.920 8.6-178.8-110.8 133.1 -8.1 17.7 -36.8 61 66 A I E -AB 32 69A 1 8,-2.1 8,-2.0 -2,-0.4 2,-0.6 -0.903 5.0-170.8-128.6 106.3 -6.3 20.6 -38.5 62 67 A G E - B 0 68A 27 -31,-1.5 6,-0.2 -2,-0.4 -2,-0.0 -0.851 13.1-156.0 -89.9 125.0 -2.9 19.9 -39.9 63 68 A L E >> - B 0 67A 7 4,-3.2 3,-2.1 -2,-0.6 4,-0.7 -0.837 26.7-113.2-106.9 145.5 -1.2 23.2 -41.0 64 69 A P T 34 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.419 115.4 63.9 -66.5 2.2 1.5 23.3 -43.7 65 70 A D T 34 S- 0 0 62 2,-0.2 3,-0.1 47,-0.0 47,-0.0 0.124 124.3-103.8 -98.4 16.6 4.1 24.4 -41.1 66 71 A Q T <4 S+ 0 0 160 -3,-2.1 2,-0.4 1,-0.3 46,-0.0 0.658 76.8 140.3 66.3 22.6 3.5 20.9 -39.5 67 72 A L E < -B 63 0A 5 -4,-0.7 -4,-3.2 41,-0.1 2,-0.4 -0.777 35.2-158.7 -86.7 137.6 1.4 22.3 -36.6 68 73 A Q E -BC 62 91A 51 23,-1.9 23,-1.2 -2,-0.4 2,-0.4 -0.953 5.5-161.5-124.4 140.4 -1.6 20.2 -35.7 69 74 A L E -BC 61 90A 0 -8,-2.0 -8,-2.1 -2,-0.4 2,-0.4 -0.929 4.5-170.7-122.1 141.4 -4.7 21.2 -33.8 70 75 A F E +BC 60 89A 0 19,-1.8 19,-2.0 -2,-0.4 2,-0.3 -0.989 14.0 156.3-135.9 125.9 -7.2 18.9 -32.1 71 76 A V E -B 59 0A 0 -12,-1.7 -12,-3.0 -2,-0.4 2,-0.4 -0.989 38.2-121.5-146.7 147.4 -10.6 19.8 -30.6 72 77 A M E -B 58 0A 0 -2,-0.3 13,-3.9 15,-0.3 14,-0.7 -0.802 34.5-172.1 -87.6 131.8 -13.8 18.0 -29.8 73 78 A V E -BD 57 84A 0 -16,-3.1 -16,-3.3 -2,-0.4 11,-0.2 -0.868 30.1-134.3-124.4 154.5 -16.8 19.4 -31.6 74 79 A D S S+ 0 0 21 9,-1.6 2,-0.3 -2,-0.3 10,-0.1 0.664 83.0 11.2 -78.0 -16.5 -20.5 18.7 -31.4 75 80 A R - 0 0 12 8,-0.3 2,-0.6 -18,-0.1 -1,-0.1 -0.992 68.5-108.8-161.2 156.3 -21.1 18.6 -35.2 76 81 A R - 0 0 167 -2,-0.3 2,-0.5 -3,-0.1 6,-0.0 -0.863 46.8-179.4 -88.9 113.9 -19.8 18.4 -38.8 77 82 A D > - 0 0 13 -2,-0.6 3,-1.8 1,-0.1 5,-0.1 -0.953 31.6-157.3-133.2 124.9 -20.6 21.8 -40.3 78 83 A T T 3 S+ 0 0 49 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.683 102.4 46.0 -73.3 -19.9 -19.9 23.1 -43.7 79 84 A F T 3 S- 0 0 0 2,-0.1 -1,-0.3 494,-0.1 3,-0.1 0.271 119.5-112.8 -98.0 9.2 -19.9 26.7 -42.6 80 85 A G < + 0 0 0 -3,-1.8 2,-0.6 1,-0.2 -57,-0.2 0.930 65.6 148.1 65.4 44.3 -17.8 25.7 -39.7 81 86 A S + 0 0 2 -58,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.946 18.5 122.7-113.9 110.4 -20.3 26.4 -37.0 82 87 A Q - 0 0 3 -2,-0.6 2,-0.3 -3,-0.1 433,-0.0 -0.984 59.3-102.3-159.1 157.6 -20.0 24.1 -34.0 83 88 A H - 0 0 35 -2,-0.3 -9,-1.6 428,-0.1 2,-0.6 -0.630 32.6-129.6 -81.4 140.4 -19.6 24.1 -30.3 84 89 A Y B -D 73 0A 14 -2,-0.3 -11,-0.3 -11,-0.2 4,-0.1 -0.827 22.7-174.9 -91.9 122.6 -16.1 23.3 -29.0 85 90 A L + 0 0 70 -13,-3.9 2,-0.3 -2,-0.6 -12,-0.2 0.469 62.7 35.1-102.9 -2.4 -16.4 20.6 -26.4 86 91 A S S S- 0 0 8 -14,-0.7 2,-0.1 1,-0.1 -38,-0.1 -0.867 87.5 -94.3-136.8 169.1 -12.7 20.4 -25.2 87 92 A D - 0 0 21 -2,-0.3 2,-0.4 1,-0.1 -15,-0.3 -0.267 57.1 -90.1 -72.7 177.6 -9.8 22.7 -24.7 88 93 A V - 0 0 3 12,-0.2 2,-0.4 -17,-0.1 -17,-0.2 -0.816 36.8-160.2-104.8 129.1 -7.4 22.9 -27.6 89 94 A Y E -C 70 0A 5 -19,-2.0 -19,-1.8 -2,-0.4 2,-0.3 -0.867 4.4-164.1-109.7 140.9 -4.4 20.7 -28.1 90 95 A L E -CE 69 98A 1 8,-2.3 8,-2.0 -2,-0.4 2,-0.3 -0.900 6.6-178.7-122.4 154.1 -1.3 21.4 -30.2 91 96 A R E +C 68 0A 25 -23,-1.2 -23,-1.9 -2,-0.3 6,-0.1 -0.984 9.5 156.7-151.9 150.4 1.5 19.1 -31.5 92 97 A Q 0 0 105 3,-0.3 4,-0.1 4,-0.3 -1,-0.1 0.366 360.0 360.0-138.4 -93.2 4.7 19.5 -33.6 93 98 A A 0 0 126 2,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.880 360.0 360.0 -67.9 360.0 7.9 17.5 -34.0 94 ! 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 95 100 A G 0 0 56 0, 0.0 -3,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 148.4 4.9 14.1 -31.3 96 101 A D - 0 0 90 -55,-0.2 -4,-0.3 -5,-0.1 -54,-0.2 0.858 360.0-125.9 88.3 101.5 3.3 15.0 -27.9 97 102 A W - 0 0 9 -56,-2.2 2,-0.3 -6,-0.1 -6,-0.2 -0.398 27.8-171.9 -70.0 145.5 0.1 17.1 -27.4 98 103 A Q B -E 90 0A 106 -8,-2.0 -8,-2.3 -2,-0.1 -55,-0.1 -0.964 24.4-144.6-134.7 152.3 0.2 20.1 -25.2 99 104 A C - 0 0 40 -2,-0.3 520,-0.2 -10,-0.2 -10,-0.1 -0.873 30.4-162.5-115.4 93.9 -2.5 22.5 -23.9 100 105 A P - 0 0 18 0, 0.0 -12,-0.2 0, 0.0 -2,-0.0 -0.352 25.3 -96.9 -73.5 153.7 -0.7 25.9 -23.8 101 106 A D > - 0 0 124 4,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.184 48.0 -92.5 -59.2 165.1 -2.0 28.8 -21.8 102 107 A F H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.917 122.3 47.0 -44.9 -62.0 -4.1 31.4 -23.7 103 108 A E H > S+ 0 0 80 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.893 114.5 44.2 -57.8 -51.6 -1.2 33.7 -24.7 104 109 A P H > S+ 0 0 58 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.827 114.5 53.8 -58.2 -32.0 1.2 31.0 -26.0 105 110 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 -3,-0.4 5,-0.3 0.994 108.5 44.8 -67.5 -65.0 -1.8 29.4 -27.8 106 111 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.892 111.7 56.4 -35.4 -53.0 -2.9 32.5 -29.7 107 112 A A H X S+ 0 0 38 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.936 112.0 39.6 -53.5 -55.7 0.7 33.2 -30.6 108 113 A R H X S+ 0 0 65 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.860 113.2 54.1 -63.2 -41.2 1.3 29.8 -32.2 109 114 A L H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.867 111.6 46.8 -60.8 -35.5 -2.1 29.7 -33.9 110 115 A L H X S+ 0 0 10 -4,-2.3 4,-3.5 -5,-0.3 5,-0.3 0.929 106.0 57.2 -73.0 -44.2 -1.3 33.0 -35.4 111 116 A A H X S+ 0 0 29 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.763 105.0 55.7 -55.8 -25.7 2.1 31.9 -36.5 112 117 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 3,-0.4 0.965 111.1 39.6 -73.4 -52.3 0.3 29.2 -38.3 113 118 A C H X S+ 0 0 2 -4,-1.6 4,-3.0 1,-0.3 5,-0.4 0.942 111.3 58.4 -62.5 -47.9 -1.9 31.5 -40.3 114 119 A E H X>S+ 0 0 24 -4,-3.5 4,-0.9 1,-0.2 5,-0.8 0.813 107.1 51.0 -48.6 -33.7 1.0 33.9 -40.9 115 120 A H H <5S+ 0 0 111 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.922 111.2 43.4 -75.2 -44.9 2.7 31.0 -42.5 116 121 A I H <5S+ 0 0 34 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.977 119.2 44.8 -62.4 -51.8 -0.0 30.0 -44.9 117 122 A A H <5S- 0 0 43 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.703 102.7-136.7 -61.6 -23.0 -0.6 33.7 -45.8 118 123 A G T <5S+ 0 0 66 -4,-0.9 2,-0.3 -5,-0.4 -3,-0.2 0.600 71.5 94.9 74.1 12.3 3.2 34.2 -46.0 119 124 A R < - 0 0 126 -5,-0.8 2,-0.3 -6,-0.2 -1,-0.2 -0.989 62.6-137.4-145.5 145.5 2.8 37.5 -44.1 120 125 A K + 0 0 157 -2,-0.3 3,-0.1 -3,-0.1 -9,-0.0 -0.698 15.0 178.8-106.0 147.7 3.0 38.7 -40.5 121 126 A N > + 0 0 38 -2,-0.3 4,-1.2 444,-0.1 3,-0.2 -0.692 10.4 167.0-143.3 99.6 1.1 41.1 -38.3 122 127 A P H > S+ 0 0 93 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.648 83.7 67.3 -81.8 -16.1 2.3 41.5 -34.7 123 128 A E H > S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.888 99.7 51.4 -59.4 -41.1 -0.0 44.5 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-8.4 41.4 -21.6 134 139 A L H < S+ 0 0 15 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.283 90.4 104.6-101.7 7.7 -21.5 41.8 -15.5 143 148 A G T 3< S+ 0 0 25 -4,-0.8 -1,-0.2 1,-0.2 -3,-0.1 0.614 73.7 58.9 -71.0 -14.7 -20.7 38.3 -14.1 144 149 A R T 3 S+ 0 0 101 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 0.791 88.0 94.7 -82.2 -32.9 -23.1 38.6 -11.2 145 150 A Q S < S- 0 0 119 -3,-0.7 2,-0.2 1,-0.2 242,-0.1 -0.012 92.8 -83.3 -59.7 158.3 -26.3 39.2 -13.3 146 151 A R > - 0 0 159 1,-0.1 3,-2.0 2,-0.1 -1,-0.2 -0.468 47.2-120.8 -53.0 129.4 -28.8 36.6 -14.5 147 152 A A T 3 S+ 0 0 23 1,-0.3 240,-0.3 -2,-0.2 -1,-0.1 0.773 107.7 46.7 -50.5 -29.8 -27.1 35.2 -17.6 148 153 A D T > S+ 0 0 1 1,-0.2 3,-1.6 238,-0.1 -1,-0.3 0.182 72.6 111.0-109.4 17.9 -30.1 36.2 -19.9 149 154 A A G X + 0 0 10 -3,-2.0 3,-1.8 1,-0.3 4,-0.3 0.826 67.9 69.5 -58.3 -34.6 -30.6 39.8 -18.7 150 155 A P G 3 S+ 0 0 6 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.664 97.9 53.9 -59.6 -8.2 -29.3 41.1 -22.1 151 156 A L G < S+ 0 0 1 -3,-1.6 -2,-0.2 1,-0.2 3,-0.1 0.476 89.8 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215 A N S S- 0 0 17 127,-2.1 3,-0.1 -2,-0.3 -2,-0.0 -0.947 86.2 -13.6-131.8 111.5 -37.1 63.4 -45.4 211 216 A G S S+ 0 0 86 -2,-0.4 2,-0.3 1,-0.2 127,-0.1 0.642 123.4 86.9 67.8 17.6 -40.5 64.2 -44.0 212 217 A L S S- 0 0 39 125,-0.2 -1,-0.2 3,-0.0 3,-0.0 -0.960 79.1-113.8-139.7 157.8 -38.9 66.6 -41.6 213 218 A T > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.600 32.7-112.9 -83.5 149.9 -37.9 70.3 -41.6 214 219 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.955 122.5 54.5 -43.4 -51.7 -34.2 71.2 -41.3 215 220 A Q H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 106.3 50.3 -45.6 -49.9 -35.1 72.7 -37.9 216 221 A Q H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.853 106.8 54.6 -60.5 -37.4 -36.7 69.3 -36.8 217 222 A V H X S+ 0 0 0 -4,-2.2 4,-1.2 -3,-0.4 -2,-0.2 0.971 109.7 47.6 -60.8 -51.2 -33.5 67.5 -37.9 218 223 A L H >X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 3,-0.6 0.893 108.4 54.3 -52.8 -45.0 -31.5 69.8 -35.7 219 224 A D H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.902 101.1 61.3 -59.6 -36.5 -34.0 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