==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHATE TRANSPORT 01-AUG-96 1IXG . COMPND 2 MOLECULE: PHOSPHATE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Z.WANG,H.LUECKE,F.A.QUIOCHO . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 10.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 3 2 1 1 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 0 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 PARALLEL BRIDGES PER LADDER . 3 3 1 0 1 0 0 1 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 2 0 1 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 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 1 A E 0 0 171 0, 0.0 2,-0.3 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 120.3 20.9 3.8 32.6 2 2 A A - 0 0 12 270,-0.1 28,-3.1 267,-0.0 2,-0.5 -0.840 360.0-145.9-109.3 154.0 21.9 4.2 29.0 3 3 A S E -a 30 0A 76 -2,-0.3 2,-0.3 26,-0.2 28,-0.2 -0.981 26.7-177.1-119.4 114.2 25.2 5.2 27.5 4 4 A L E -a 31 0A 2 26,-3.1 28,-2.7 -2,-0.5 2,-0.4 -0.852 13.2-153.4-115.0 147.6 24.6 7.2 24.3 5 5 A T E +a 32 0A 48 -2,-0.3 46,-1.4 26,-0.2 47,-1.3 -0.976 15.5 171.4-123.4 136.6 27.1 8.7 21.8 6 6 A G E -ab 33 52A 1 26,-2.6 28,-2.3 -2,-0.4 2,-0.3 -0.954 5.1-177.2-132.1 159.8 26.6 11.7 19.5 7 7 A A E +ab 34 53A 4 45,-1.5 47,-1.5 -2,-0.3 2,-0.4 -0.994 31.8 57.7-156.0 149.9 29.0 13.6 17.3 8 8 A G E +ab 35 54A 0 26,-2.4 29,-2.1 -2,-0.3 28,-1.4 -0.992 63.9 57.0 146.9-133.1 29.0 16.7 15.0 9 9 A A - 0 0 0 45,-1.9 46,-0.1 -2,-0.4 4,-0.1 -0.001 40.8-161.7 -40.3 132.1 28.4 20.4 15.1 10 10 A T S > S+ 0 0 12 1,-0.2 3,-1.3 2,-0.1 -1,-0.1 0.696 78.0 86.2 -83.3 -19.4 30.3 22.5 17.6 11 11 A F T 3 S+ 0 0 0 1,-0.3 186,-0.2 2,-0.1 -1,-0.2 0.860 104.5 24.9 -49.2 -49.1 27.7 25.4 17.2 12 12 A P T >> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 3,-0.5 0.300 90.4 109.6 -99.0 6.4 25.4 23.8 20.0 13 13 A A H <> S+ 0 0 16 -3,-1.3 4,-2.6 1,-0.2 5,-0.2 0.854 73.8 56.9 -54.8 -39.1 28.1 21.9 21.9 14 14 A P H 3> S+ 0 0 32 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.928 113.9 38.8 -58.9 -43.1 28.0 24.2 24.9 15 15 A V H <> S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.911 114.8 51.9 -74.9 -40.4 24.3 23.6 25.4 16 16 A Y H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.899 111.0 49.8 -60.0 -39.8 24.4 19.9 24.5 17 17 A A H X S+ 0 0 57 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.907 112.4 46.7 -64.7 -43.3 27.2 19.4 27.1 18 18 A K H X S+ 0 0 94 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.945 113.1 48.9 -64.9 -45.9 25.2 21.3 29.8 19 19 A W H X S+ 0 0 7 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.927 111.2 50.4 -56.2 -47.6 22.1 19.3 29.1 20 20 A A H X S+ 0 0 10 -4,-2.5 4,-2.1 -5,-0.3 11,-0.2 0.906 110.3 49.5 -61.7 -41.6 24.0 16.0 29.2 21 21 A D H X S+ 0 0 70 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.954 114.3 44.2 -62.1 -47.0 25.6 16.9 32.6 22 22 A T H X S+ 0 0 22 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.894 111.4 54.0 -63.5 -44.0 22.2 17.8 34.1 23 23 A Y H X>S+ 0 0 11 -4,-2.8 4,-2.6 -5,-0.3 5,-0.6 0.903 108.5 49.1 -62.1 -39.9 20.6 14.7 32.6 24 24 A Q H X5S+ 0 0 88 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.905 110.9 50.7 -63.9 -42.2 23.2 12.4 34.1 25 25 A K H <5S+ 0 0 153 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.903 119.2 36.5 -59.5 -41.2 22.7 14.2 37.5 26 26 A E H <5S+ 0 0 117 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.805 137.6 11.7 -84.4 -33.9 18.9 13.7 37.4 27 27 A T H <5S- 0 0 65 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.510 87.9-121.2-124.1 -19.0 18.6 10.3 35.7 28 28 A G << + 0 0 25 -4,-1.6 -4,-0.2 -5,-0.6 -3,-0.1 0.180 65.3 137.0 88.5 -20.4 21.9 8.6 35.6 29 29 A N - 0 0 16 -6,-0.5 2,-0.5 -28,-0.1 -1,-0.3 -0.384 46.6-140.6 -62.7 139.7 21.9 8.3 31.8 30 30 A K E -a 3 0A 93 -28,-3.1 -26,-3.1 -3,-0.1 2,-0.5 -0.928 17.5-174.5-114.4 120.6 25.2 9.2 30.1 31 31 A V E -a 4 0A 19 -2,-0.5 2,-0.5 -11,-0.2 -26,-0.2 -0.963 6.0-165.0-116.8 116.8 25.4 11.2 26.8 32 32 A N E -a 5 0A 85 -28,-2.7 -26,-2.6 -2,-0.5 2,-0.5 -0.927 8.5-170.6 -99.0 125.5 28.9 11.6 25.3 33 33 A Y E -a 6 0A 36 -2,-0.5 2,-0.6 -28,-0.2 -26,-0.2 -0.978 7.5-159.5-126.7 121.6 29.0 14.3 22.6 34 34 A Q E -a 7 0A 102 -28,-2.3 -26,-2.4 -2,-0.5 2,-1.1 -0.896 11.4-145.0-104.3 116.8 32.1 14.8 20.4 35 35 A G E +a 8 0A 44 -2,-0.6 -26,-0.2 -28,-0.2 -25,-0.1 -0.721 45.2 139.7 -85.3 98.1 32.4 18.2 18.7 36 36 A I - 0 0 60 -28,-1.4 4,-0.4 -2,-1.1 -27,-0.2 0.288 66.3 -95.0-119.2 1.7 33.9 17.4 15.3 37 37 A G > - 0 0 0 -29,-2.1 4,-2.0 1,-0.1 -1,-0.2 0.051 41.2 -79.2 89.0 158.6 32.0 19.8 13.1 38 38 A S H > S+ 0 0 2 -30,-0.3 4,-2.1 1,-0.2 101,-0.2 0.842 124.9 55.6 -63.1 -41.0 28.8 19.3 11.1 39 39 A S H > S+ 0 0 50 99,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.924 110.4 46.7 -61.8 -44.6 30.4 17.5 8.1 40 40 A G H > S+ 0 0 18 98,-0.5 4,-2.7 -4,-0.4 -1,-0.2 0.868 107.6 57.8 -62.9 -35.2 32.0 14.9 10.4 41 41 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 13,-0.3 5,-0.2 0.933 108.2 46.0 -58.4 -45.7 28.6 14.5 12.2 42 42 A V H X S+ 0 0 25 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.931 112.8 50.3 -61.8 -48.1 26.9 13.6 8.9 43 43 A K H X S+ 0 0 149 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.931 111.8 48.2 -57.8 -44.4 29.7 11.2 8.0 44 44 A Q H <>S+ 0 0 52 -4,-2.7 5,-2.2 2,-0.2 6,-0.6 0.878 110.2 48.6 -70.1 -39.2 29.6 9.4 11.4 45 45 A I H ><5S+ 0 0 1 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.2 0.929 112.4 49.5 -67.4 -39.7 25.8 8.9 11.5 46 46 A I H 3<5S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.898 111.6 49.8 -63.7 -36.5 25.9 7.5 7.9 47 47 A A T 3<5S- 0 0 57 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.477 110.5-126.8 -77.8 -7.0 28.8 5.2 9.0 48 48 A N T < 5S+ 0 0 110 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.776 70.8 128.3 66.4 32.0 26.8 4.0 12.1 49 49 A T < + 0 0 82 -5,-2.2 2,-0.3 2,-0.0 -4,-0.2 0.493 68.6 36.3 -95.7 -7.5 29.6 4.9 14.5 50 50 A V S S- 0 0 24 -6,-0.6 -44,-0.2 -9,-0.1 3,-0.1 -0.930 77.7-121.9-135.0 162.4 27.4 7.0 16.8 51 51 A D S S+ 0 0 31 -46,-1.4 2,-0.3 -2,-0.3 210,-0.3 0.773 97.5 9.2 -73.2 -30.7 23.8 6.9 18.1 52 52 A F E -b 6 0A 2 -47,-1.3 -45,-1.5 208,-0.1 2,-0.2 -0.987 65.4-148.7-148.6 147.6 23.1 10.4 16.7 53 53 A G E -bC 7 259A 0 206,-2.5 206,-2.7 -2,-0.3 2,-0.4 -0.692 12.0-149.3-106.0 167.9 24.8 12.9 14.4 54 54 A A E +bC 8 258A 0 -47,-1.5 -45,-1.9 -2,-0.2 2,-0.3 -0.995 19.1 166.7-143.5 130.6 24.5 16.7 14.6 55 55 A S E - C 0 257A 4 202,-1.9 202,-2.4 -2,-0.4 4,-0.1 -0.993 30.4-155.1-143.7 135.1 24.7 19.3 11.7 56 56 A D S S+ 0 0 3 -2,-0.3 199,-0.2 200,-0.2 -1,-0.1 0.748 86.9 73.7 -78.0 -26.9 23.8 23.0 11.5 57 57 A A S S- 0 0 12 200,-0.1 2,-0.2 197,-0.1 200,-0.1 -0.777 89.1-129.0 -85.1 123.4 23.3 22.6 7.7 58 58 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.493 12.0-128.4 -73.4 147.1 20.1 20.7 7.0 59 59 A L - 0 0 20 -2,-0.2 12,-0.1 -4,-0.1 179,-0.1 -0.656 32.9-105.6 -81.9 148.1 20.0 17.7 4.6 60 60 A S > - 0 0 65 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.267 26.6-110.3 -67.3 158.8 17.4 17.9 1.9 61 61 A D H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.908 121.1 50.1 -55.0 -42.7 14.3 15.7 2.0 62 62 A E H > S+ 0 0 139 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 109.9 48.3 -64.4 -45.2 15.7 13.6 -0.8 63 63 A K H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 6,-0.2 0.919 110.1 52.7 -62.8 -42.4 19.1 13.1 0.8 64 64 A L H X>S+ 0 0 18 -4,-2.7 5,-2.4 1,-0.2 4,-0.7 0.922 111.5 46.9 -55.2 -46.5 17.4 12.1 4.1 65 65 A A H ><5S+ 0 0 62 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.902 109.4 52.5 -64.4 -41.2 15.3 9.5 2.2 66 66 A Q H 3<5S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 117.5 39.5 -62.5 -34.2 18.3 8.2 0.3 67 67 A E H 3<5S- 0 0 60 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.422 107.7-120.8 -93.2 -7.5 20.2 7.7 3.7 68 68 A G T <<5 + 0 0 27 -4,-0.7 194,-2.7 -3,-0.6 195,-0.5 0.830 65.8 143.5 64.6 33.7 17.2 6.4 5.7 69 69 A L E < -D 261 0A 3 -5,-2.4 2,-0.4 192,-0.2 192,-0.2 -0.706 42.4-153.6-105.5 158.2 17.7 9.4 8.1 70 70 A F E -D 260 0A 17 190,-2.5 190,-2.2 -2,-0.3 2,-0.4 -0.980 13.9-160.0-125.9 136.5 15.4 11.7 10.1 71 71 A Q E +D 259 0A 12 -2,-0.4 188,-0.2 188,-0.2 166,-0.1 -0.943 11.1 175.7-122.5 144.1 16.4 15.2 11.1 72 72 A F E -D 258 0A 0 186,-1.9 186,-2.6 -2,-0.4 2,-0.1 -1.000 26.7-119.7-145.7 142.9 15.0 17.5 13.8 73 73 A P E +D 257 0A 0 0, 0.0 184,-0.2 0, 0.0 3,-0.1 -0.477 23.1 179.3 -81.8 153.4 15.9 21.0 15.1 74 74 A T E - 0 0 5 182,-2.0 222,-0.6 1,-0.4 2,-0.3 0.794 57.0 -7.5-115.5 -55.4 17.0 21.7 18.8 75 75 A V E - E 0 295A 3 181,-0.4 181,-0.7 220,-0.1 2,-0.5 -0.897 57.0-120.1-140.9 171.3 17.8 25.4 19.5 76 76 A I E +DE 255 294A 4 218,-2.6 218,-2.6 -2,-0.3 179,-0.2 -0.962 38.2 161.7-120.6 127.9 18.4 28.7 17.7 77 77 A G E -D 254 0A 0 177,-2.7 177,-2.2 -2,-0.5 2,-0.4 -0.649 27.3-119.8-129.2-171.1 21.7 30.5 17.9 78 78 A G E -D 253 0A 0 175,-0.2 118,-2.7 -2,-0.2 2,-0.5 -0.996 8.8-134.2-139.0 143.3 23.7 33.2 16.2 79 79 A V E -F 195 0B 0 173,-2.9 2,-0.3 -2,-0.4 116,-0.2 -0.851 33.0-177.5 -91.9 129.4 27.0 33.5 14.4 80 80 A V E -F 194 0B 0 114,-3.0 114,-2.3 -2,-0.5 2,-0.8 -0.808 31.8-112.1-123.8 166.8 29.0 36.6 15.4 81 81 A L E -F 193 0B 0 -2,-0.3 126,-1.5 126,-0.3 2,-0.4 -0.868 29.4-158.4-102.8 102.2 32.2 38.2 14.4 82 82 A A E -FG 192 206B 0 110,-2.6 110,-2.3 -2,-0.8 2,-0.3 -0.704 19.8-173.3 -76.0 134.6 34.7 38.0 17.3 83 83 A V E -FG 191 205B 9 122,-2.3 122,-0.6 -2,-0.4 2,-0.4 -0.927 32.6-154.3-133.9 159.8 37.4 40.6 17.0 84 84 A N + 0 0 48 106,-2.2 105,-2.6 -2,-0.3 106,-0.1 -0.864 33.8 162.4-133.0 87.7 40.6 41.7 18.6 85 85 A I > - 0 0 12 -2,-0.4 3,-2.0 3,-0.2 -2,-0.1 -0.938 39.4-119.6-118.6 114.5 40.9 45.5 17.8 86 86 A P T 3 S+ 0 0 52 0, 0.0 42,-0.1 0, 0.0 3,-0.1 -0.212 94.4 10.7 -54.0 129.0 43.2 47.7 19.8 87 87 A G T 3 S+ 0 0 86 1,-0.2 2,-0.4 38,-0.1 37,-0.1 0.353 104.6 104.5 91.5 -10.2 41.5 50.5 21.7 88 88 A L < - 0 0 32 -3,-2.0 -3,-0.2 35,-0.1 -1,-0.2 -0.862 56.9-143.5-112.3 144.5 37.9 49.2 21.1 89 89 A K > - 0 0 143 -2,-0.4 3,-1.6 1,-0.1 4,-0.4 -0.539 42.1 -71.5 -96.9 166.1 35.6 47.5 23.6 90 90 A S T 3 S+ 0 0 55 1,-0.2 117,-0.1 -2,-0.2 -1,-0.1 -0.300 115.7 15.4 -58.9 141.0 33.1 44.8 22.9 91 91 A G T 3 S+ 0 0 17 115,-2.8 -1,-0.2 2,-0.1 116,-0.1 0.397 95.1 106.0 79.7 2.3 30.0 45.8 20.8 92 92 A E < + 0 0 57 -3,-1.6 2,-0.3 114,-0.2 -2,-0.1 0.916 59.7 74.0 -84.2 -39.5 31.4 49.1 19.6 93 93 A L - 0 0 4 -4,-0.4 115,-2.9 113,-0.3 2,-0.4 -0.562 62.9-159.2 -80.0 138.3 32.2 48.4 16.0 94 94 A V E -j 208 0C 19 -2,-0.3 2,-0.3 113,-0.2 115,-0.2 -0.939 10.7-178.2-108.9 133.5 29.4 48.1 13.4 95 95 A L E -j 209 0C 0 113,-1.7 115,-1.3 -2,-0.4 2,-0.2 -0.921 13.5-147.8-121.0 154.1 29.8 46.2 10.1 96 96 A D > - 0 0 42 -2,-0.3 4,-2.4 113,-0.2 5,-0.2 -0.671 32.0-104.4-109.0 171.2 27.4 45.7 7.2 97 97 A G H > S+ 0 0 7 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 116.0 51.8 -66.3 -44.7 27.3 42.7 5.0 98 98 A K H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 114.7 42.7 -57.2 -49.3 28.9 44.2 1.9 99 99 A T H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.898 111.3 54.4 -69.5 -39.6 31.9 45.4 3.9 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.927 109.4 49.5 -56.7 -44.6 32.2 42.2 5.9 101 101 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.914 107.7 53.3 -60.6 -40.6 32.4 40.4 2.6 102 102 A D H <>S+ 0 0 15 -4,-2.0 5,-2.1 2,-0.2 6,-1.1 0.854 107.9 51.5 -66.5 -28.5 35.1 42.8 1.3 103 103 A I H ><5S+ 0 0 1 -4,-2.1 3,-1.3 4,-0.2 -2,-0.2 0.944 111.5 46.3 -66.0 -50.1 37.1 42.0 4.5 104 104 A Y H 3<5S+ 0 0 0 -4,-2.4 66,-0.4 1,-0.3 -2,-0.2 0.750 109.0 56.1 -67.4 -21.3 36.8 38.2 3.8 105 105 A L T 3<5S- 0 0 25 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.589 115.0-118.6 -79.3 -12.7 37.7 38.8 0.1 106 106 A G T < 5S+ 0 0 13 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.612 82.8 118.6 83.6 10.3 40.9 40.4 1.3 107 107 A K < + 0 0 109 -5,-2.1 2,-0.6 -6,-0.2 -4,-0.2 0.755 67.9 56.3 -76.8 -36.4 40.1 43.8 -0.3 108 108 A I + 0 0 14 -6,-1.1 -2,-0.2 -9,-0.1 -1,-0.2 -0.950 62.2 171.2-100.5 120.2 40.1 45.7 3.1 109 109 A K + 0 0 138 -2,-0.6 21,-2.6 1,-0.1 2,-0.3 0.616 54.2 49.8-109.3 -19.7 43.4 45.2 4.9 110 110 A K B > S-L 129 0D 80 19,-0.3 3,-1.7 1,-0.1 19,-0.2 -0.945 72.3-127.5-128.6 147.4 43.4 47.7 7.9 111 111 A W T 3 S+ 0 0 0 17,-2.4 16,-0.2 -2,-0.3 18,-0.1 0.682 109.5 56.9 -69.1 -15.5 40.8 48.3 10.7 112 112 A D T 3 S+ 0 0 60 14,-0.2 -1,-0.3 16,-0.2 15,-0.1 0.233 75.8 142.4-102.6 20.3 40.9 52.1 9.9 113 113 A D X> - 0 0 45 -3,-1.7 4,-2.5 1,-0.1 3,-0.9 -0.213 63.7-115.9 -50.8 142.5 39.9 51.6 6.2 114 114 A E H 3> S+ 0 0 144 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.803 114.7 57.9 -54.0 -36.6 37.5 54.4 5.0 115 115 A A H 3> S+ 0 0 12 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.880 110.7 42.7 -67.1 -33.8 34.7 51.8 4.4 116 116 A I H <> S+ 0 0 0 -3,-0.9 4,-0.7 2,-0.2 3,-0.4 0.903 113.0 53.4 -74.4 -42.9 34.9 50.8 8.1 117 117 A A H >< S+ 0 0 38 -4,-2.5 3,-1.3 1,-0.2 6,-0.2 0.907 103.7 56.2 -59.1 -39.9 35.2 54.4 9.2 118 118 A K H 3< S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 107.9 47.9 -63.4 -32.6 32.1 55.4 7.3 119 119 A L H 3< S+ 0 0 37 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.589 120.5 39.5 -75.8 -16.3 30.1 52.8 9.2 120 120 A N S X< S+ 0 0 9 -3,-1.3 3,-1.6 -4,-0.7 -1,-0.2 -0.543 70.6 169.6-133.1 58.8 31.5 54.1 12.5 121 121 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.839 74.9 40.9 -61.6 -28.4 31.7 57.9 12.3 122 122 A G T 3 S+ 0 0 72 2,-0.0 2,-0.4 -5,-0.0 -5,-0.1 0.699 93.8 100.5-100.1 10.9 32.5 58.7 15.8 123 123 A L < - 0 0 38 -3,-1.6 2,-0.5 -6,-0.2 -3,-0.1 -0.638 66.4-134.4 -94.2 137.3 35.0 55.9 16.6 124 124 A K - 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0 0 3 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 -0.910 57.4-165.4-144.4 108.3 28.3 40.6 -1.5 154 154 A E H > S+ 0 0 158 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.854 90.9 56.2 -65.7 -39.0 28.0 39.8 -5.2 155 155 A E H > S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.926 110.0 45.8 -58.9 -43.6 31.7 39.2 -5.7 156 156 A W H >>S+ 0 0 0 -7,-0.2 5,-2.6 1,-0.2 4,-2.6 0.950 112.0 51.9 -61.8 -49.8 31.6 36.6 -2.9 157 157 A K H <5S+ 0 0 127 -4,-2.4 -2,-0.2 -8,-0.3 -1,-0.2 0.922 116.8 39.1 -50.9 -49.0 28.5 35.0 -4.4 158 158 A N H <5S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.714 127.4 29.0 -81.5 -23.1 30.1 34.7 -7.8 159 159 A N H <5S+ 0 0 123 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.2 0.671 135.0 16.4-109.7 -30.2 33.6 33.7 -7.0 160 160 A V T <5S- 0 0 27 -4,-2.6 7,-0.3 -5,-0.3 -3,-0.2 0.672 84.1-179.5-112.2 -48.0 33.5 31.8 -3.6 161 161 A G < - 0 0 17 -5,-2.6 2,-0.4 -6,-0.1 -11,-0.1 -0.303 34.8 -47.9 77.2-157.3 29.9 30.8 -3.2 162 162 A T + 0 0 76 -5,-0.1 2,-0.3 -13,-0.1 -19,-0.1 -0.906 67.0 119.0-119.4 143.4 28.3 28.9 -0.3 163 163 A G - 0 0 12 -21,-0.4 -17,-0.3 -2,-0.4 3,-0.1 -0.948 68.2-104.7 177.3 166.3 29.4 25.7 1.4 164 164 A S S S+ 0 0 29 -2,-0.3 -25,-2.2 1,-0.3 2,-0.3 0.703 120.7 25.4 -71.1 -22.1 30.5 23.8 4.5 165 165 A T S S+ 0 0 101 -27,-0.2 -1,-0.3 -23,-0.1 2,-0.3 -0.969 80.9 166.4-138.4 133.2 34.0 24.0 2.8 166 166 A V - 0 0 24 -2,-0.3 2,-1.2 -3,-0.1 -5,-0.1 -0.892 48.5 -94.1-137.7 173.1 34.9 26.7 0.3 167 167 A K - 0 0 193 -7,-0.3 -2,-0.0 -2,-0.3 3,-0.0 -0.732 48.7-147.6 -89.3 89.1 38.1 28.1 -1.4 168 168 A W - 0 0 34 -2,-1.2 3,-0.1 1,-0.2 -63,-0.1 -0.436 8.1-146.0 -62.7 129.2 38.7 30.9 1.1 169 169 A P S S- 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.832 79.8 -13.6 -60.0 -35.0 40.3 34.0 -0.6 170 170 A I S S+ 0 0 78 -66,-0.4 -64,-0.1 2,-0.0 -37,-0.0 -0.969 86.7 97.3-158.2 158.8 42.3 34.7 2.6 171 171 A G - 0 0 22 -2,-0.3 -38,-0.3 -3,-0.1 2,-0.2 0.049 59.9 -95.1 125.3 138.7 42.3 33.7 6.3 172 172 A L E -i 133 0B 86 -40,-2.5 -38,-2.9 1,-0.1 2,-0.6 -0.539 43.5-116.3 -75.4 146.8 44.0 31.3 8.7 173 173 A G E -i 134 0B 27 -2,-0.2 2,-0.4 -40,-0.2 -38,-0.2 -0.732 28.7-171.7 -95.8 121.4 42.2 28.0 9.4 174 174 A G E -i 135 0B 0 -40,-2.9 -38,-2.5 -2,-0.6 2,-0.6 -0.867 23.3-126.4-105.2 142.0 40.9 27.3 12.9 175 175 A K S > S- 0 0 148 -2,-0.4 4,-1.3 -40,-0.2 -138,-0.1 -0.792 72.1 -24.4 -93.0 115.2 39.6 23.8 13.9 176 176 A G H > S- 0 0 7 -2,-0.6 4,-1.9 2,-0.2 5,-0.2 0.106 92.4 -67.6 73.8 170.2 36.1 24.1 15.4 177 177 A N H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 137.0 58.0 -57.3 -40.6 34.5 27.1 17.1 178 178 A D H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 104.1 50.9 -58.8 -41.5 37.0 26.6 19.9 179 179 A G H X S+ 0 0 17 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.916 110.4 47.6 -68.1 -41.6 39.9 27.0 17.4 180 180 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.938 111.4 51.8 -62.0 -43.7 38.6 30.2 15.9 181 181 A A H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.902 110.0 49.1 -57.9 -41.2 38.1 31.6 19.5 182 182 A A H X S+ 0 0 56 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.894 110.4 50.6 -67.0 -38.1 41.7 30.7 20.4 183 183 A F H X S+ 0 0 40 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.925 109.5 50.3 -64.1 -45.5 43.0 32.4 17.2 184 184 A V H < S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 6,-0.3 0.909 110.5 50.3 -63.8 -40.9 41.1 35.6 17.9 185 185 A Q H < S+ 0 0 122 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.889 115.8 41.5 -59.0 -39.9 42.4 35.7 21.5 186 186 A R H < S+ 0 0 157 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.615 105.2 69.9 -86.4 -14.6 46.0 35.3 20.5 187 187 A L S >< S- 0 0 35 -4,-1.4 3,-2.4 -3,-0.3 -56,-0.2 -0.858 71.2-140.6-117.0 103.4 46.1 37.6 17.4 188 188 A P T 3 S+ 0 0 78 0, 0.0 -103,-0.2 0, 0.0 -59,-0.1 -0.337 95.2 23.6 -50.2 130.2 45.9 41.4 17.6 189 189 A G T 3 S+ 0 0 0 -105,-2.6 -58,-2.2 1,-0.2 -104,-0.1 0.342 92.0 151.1 86.0 2.5 43.7 42.5 14.7 190 190 A A E < - 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