==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 24-FEB-11 3QUJ . COMPND 2 MOLECULE: PHND, SUBUNIT OF ALKYLPHOSPHONATE ABC TRANSPORTER . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI UTI89; . AUTHOR I.ALICEA,E.R.SCHREITER . 1176 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 841 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 11.1 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 . 3 0.3 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 . 29 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 415 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 3.4 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 4 1 6 2 1 8 12 0 1 4 0 1 1 1 1 4 0 0 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 6 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 PARALLEL BRIDGES PER LADDER . 1 1 4 4 7 0 3 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 0 0 4 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 5 A K 0 0 237 0, 0.0 33,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 171.6 -10.7 3.8 -0.9 2 6 A A E -a 34 0A 47 31,-0.2 2,-0.4 33,-0.0 33,-0.2 -0.993 360.0-148.0-138.8 140.7 -14.1 5.3 0.0 3 7 A L E -a 35 0A 18 31,-2.5 33,-3.0 -2,-0.4 2,-0.5 -0.833 12.6-147.4-102.0 139.3 -15.9 7.0 3.0 4 8 A N E -a 36 0A 48 -2,-0.4 52,-3.3 31,-0.2 53,-1.8 -0.932 11.2-161.4-109.6 127.6 -19.6 6.6 3.6 5 9 A F E -ab 37 57A 0 31,-2.7 33,-2.7 -2,-0.5 2,-0.3 -0.946 13.3-138.1-118.1 111.0 -21.2 9.7 5.2 6 10 A G E -ab 38 58A 0 51,-3.6 53,-2.5 -2,-0.6 2,-0.5 -0.534 13.6-164.2 -77.1 131.4 -24.6 9.1 6.9 7 11 A I E - b 0 59A 1 31,-2.6 33,-0.4 -2,-0.3 2,-0.1 -0.974 19.2-130.0-115.7 118.7 -27.3 11.6 6.4 8 12 A I - 0 0 3 51,-0.9 2,-2.8 -2,-0.5 3,-0.5 -0.417 27.4-109.6 -64.1 142.9 -30.3 11.5 8.8 9 13 A S + 0 0 18 1,-0.2 144,-0.3 -2,-0.1 145,-0.2 -0.250 69.5 135.1 -74.9 54.4 -33.8 11.5 7.1 10 14 A T S S+ 0 0 13 -2,-2.8 144,-2.3 142,-0.2 -1,-0.2 0.937 80.4 4.9 -64.6 -43.2 -34.7 15.0 8.2 11 15 A E S S- 0 0 15 -3,-0.5 142,-0.1 142,-0.2 5,-0.1 -0.745 99.8 -71.0-129.3 172.4 -36.0 15.6 4.7 12 16 A S > - 0 0 38 -2,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.289 44.7-115.1 -59.0 150.9 -36.5 13.6 1.5 13 17 A Q H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.927 118.4 57.9 -53.2 -47.5 -33.3 12.7 -0.4 14 18 A Q H 4 S+ 0 0 162 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.844 112.3 40.9 -54.0 -37.0 -34.5 14.9 -3.3 15 19 A N H 4 S+ 0 0 38 -3,-0.4 4,-0.4 1,-0.1 -1,-0.2 0.692 115.6 48.9 -86.4 -19.5 -34.5 17.8 -0.8 16 20 A L H >X S+ 0 0 2 -4,-1.9 4,-2.8 -3,-0.4 3,-0.8 0.819 96.4 71.3 -81.6 -34.7 -31.3 17.0 1.1 17 21 A K H 3X S+ 0 0 81 -4,-2.6 4,-2.7 1,-0.3 -2,-0.1 0.858 91.5 55.3 -60.2 -42.6 -29.1 16.5 -2.0 18 22 A P H 34 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.880 116.4 39.0 -58.2 -34.8 -28.8 20.1 -3.1 19 23 A Q H <> S+ 0 0 4 -3,-0.8 4,-0.5 -4,-0.4 -2,-0.2 0.893 127.5 34.2 -76.2 -41.7 -27.6 21.0 0.4 20 24 A W H >X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 3,-0.6 0.898 101.8 66.5 -86.4 -44.6 -25.4 17.9 0.8 21 25 A T H 3X S+ 0 0 55 -4,-2.7 4,-2.1 1,-0.3 5,-0.2 0.897 104.6 47.7 -49.2 -44.8 -23.9 16.9 -2.6 22 26 A P H 3> S+ 0 0 45 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.865 112.6 49.3 -68.7 -30.5 -21.8 20.1 -2.8 23 27 A F H S+ 0 0 50 -4,-2.3 4,-2.0 2,-0.2 5,-0.6 0.926 110.9 51.2 -52.4 -52.2 -14.0 14.4 -1.8 29 33 A K H <5S+ 0 0 166 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.928 116.7 37.0 -55.7 -51.0 -11.8 17.3 -3.2 30 34 A K H <5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.883 120.1 44.2 -73.4 -43.4 -9.9 18.0 0.0 31 35 A L H <5S- 0 0 22 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.780 94.4-136.7 -76.0 -28.3 -9.5 14.5 1.4 32 36 A G T <5S+ 0 0 65 -4,-2.0 2,-0.3 1,-0.3 -3,-0.1 0.747 70.2 102.7 70.5 27.2 -8.5 12.8 -2.0 33 37 A V S > S- 0 0 67 1,-0.1 3,-0.8 109,-0.1 4,-0.8 -0.945 84.2-102.1-148.5 164.7 -35.3 6.5 9.5 43 47 A Y H >> S+ 0 0 7 -2,-0.3 4,-1.9 1,-0.2 3,-0.9 0.890 116.0 69.0 -60.3 -34.8 -32.5 7.5 11.9 44 48 A A H 3> S+ 0 0 29 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.862 91.4 60.6 -48.6 -43.8 -32.2 3.9 12.9 45 49 A G H <> S+ 0 0 23 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.856 106.5 44.9 -53.7 -43.6 -30.8 3.0 9.5 46 50 A I H S+ 0 0 6 -4,-1.9 5,-3.1 -5,-0.3 6,-1.3 0.882 109.5 42.9 -54.7 -43.4 -25.3 1.4 9.3 50 54 A X H ><5S+ 0 0 1 -4,-2.3 3,-1.6 4,-0.2 -2,-0.2 0.921 109.2 57.0 -72.7 -46.9 -22.5 2.7 11.6 51 55 A R H 3<5S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.934 113.0 41.3 -47.7 -48.5 -22.7 -0.2 13.9 52 56 A F T 3<5S- 0 0 131 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.415 117.5-114.3 -86.4 9.5 -22.0 -2.5 10.9 53 57 A N T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.754 84.9 119.1 70.3 24.3 -19.4 -0.2 9.5 54 58 A K S - 0 0 3 -2,-0.3 4,-2.7 61,-0.2 5,-0.2 -0.489 47.2 -98.2 -79.1 169.0 -29.2 14.6 16.1 62 66 A N H > S+ 0 0 0 137,-0.3 4,-2.0 1,-0.2 5,-0.1 0.872 123.6 48.9 -60.4 -35.6 -28.0 14.5 19.7 63 67 A L H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 112.6 44.5 -70.6 -50.8 -30.3 11.5 20.5 64 68 A S H > S+ 0 0 0 58,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.853 114.7 53.1 -63.7 -29.5 -29.3 9.4 17.5 65 69 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.899 106.3 51.0 -67.1 -41.2 -25.6 10.4 18.4 66 70 A X H X S+ 0 0 8 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.897 111.7 48.2 -62.4 -39.6 -26.0 9.2 21.9 67 71 A E H X S+ 0 0 30 -4,-2.0 4,-3.4 2,-0.2 5,-0.5 0.884 110.1 51.4 -65.0 -43.5 -27.3 5.9 20.6 68 72 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 6,-1.9 0.921 111.5 48.1 -60.6 -45.8 -24.4 5.7 18.2 69 73 A V H < S+ 0 0 30 -4,-3.0 4,-0.4 4,-0.2 -2,-0.2 0.970 119.8 38.4 -55.5 -50.6 -22.1 6.3 21.1 70 74 A D H < S+ 0 0 91 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.841 135.4 15.5 -75.8 -30.4 -23.8 3.7 23.2 71 75 A R H < S+ 0 0 151 -4,-3.4 -3,-0.2 -5,-0.1 -1,-0.2 0.631 124.9 45.0-118.4 -18.9 -24.6 1.1 20.5 72 76 A A S < S- 0 0 2 -4,-2.3 -3,-0.1 -5,-0.5 -2,-0.1 -0.106 100.2-107.3-133.5 28.8 -22.5 1.7 17.5 73 77 A N + 0 0 83 -4,-0.4 134,-2.4 1,-0.1 135,-0.3 0.771 68.6 154.9 51.5 34.0 -18.9 2.5 18.6 74 78 A G E -D 206 0A 3 -6,-1.9 2,-0.3 132,-0.2 132,-0.2 -0.376 27.8-167.4 -90.3 167.0 -19.5 6.2 17.7 75 79 A Q E -D 205 0A 36 130,-1.5 130,-2.2 -2,-0.1 2,-0.2 -0.939 21.4-123.5-156.1 130.0 -17.8 9.3 19.0 76 80 A V E +D 204 0A 5 -2,-0.3 171,-0.4 128,-0.2 128,-0.2 -0.522 35.2 160.2 -69.8 139.7 -18.6 13.0 18.7 77 81 A F E + 0 0 4 126,-2.4 168,-1.5 1,-0.5 2,-0.3 0.555 60.6 18.7-135.1 -16.0 -15.9 15.2 17.2 78 82 A A E -DE 203 244A 0 125,-1.3 125,-2.4 166,-0.3 -1,-0.5 -0.960 60.6-144.3-147.4 167.5 -17.5 18.4 15.9 79 83 A Q E -DE 202 243A 18 164,-2.7 164,-2.5 -2,-0.3 122,-0.1 -0.990 22.2-118.9-136.8 136.6 -20.7 20.3 16.4 80 84 A T E - 0 0 3 121,-2.9 2,-0.5 -2,-0.4 120,-0.2 -0.318 23.3-147.6 -68.4 154.0 -22.7 22.3 13.9 81 85 A V E - E 0 240A 27 159,-0.6 159,-2.9 119,-0.1 2,-0.1 -0.972 20.2-116.3-132.6 119.3 -23.2 26.0 14.6 82 86 A A E > - E 0 239A 18 -2,-0.5 3,-2.7 4,-0.5 157,-0.3 -0.343 22.1-129.5 -56.0 123.0 -26.4 27.7 13.5 83 87 A A T 3 S+ 0 0 23 155,-2.8 156,-0.2 1,-0.3 -1,-0.2 0.677 107.4 51.6 -40.5 -32.2 -25.5 30.4 10.9 84 88 A D T 3 S- 0 0 85 154,-0.3 -1,-0.3 156,-0.1 -2,-0.1 0.388 118.6-108.8 -92.3 6.7 -27.5 33.1 12.8 85 89 A G < + 0 0 59 -3,-2.7 -2,-0.1 1,-0.2 -3,-0.0 0.674 58.0 163.8 73.5 19.0 -25.7 32.3 16.1 86 90 A S - 0 0 32 1,-0.1 -4,-0.5 2,-0.1 -1,-0.2 -0.460 45.1-130.1 -57.0 141.1 -28.6 30.7 17.8 87 91 A P S S- 0 0 97 0, 0.0 113,-0.3 0, 0.0 2,-0.3 0.342 78.1 -40.3 -78.9 10.6 -27.1 28.8 20.7 88 92 A G S S- 0 0 7 111,-0.2 2,-0.2 109,-0.0 -2,-0.1 -0.959 72.6 -89.3 163.0-152.3 -29.1 25.8 19.5 89 93 A Y E -F 198 0B 8 109,-2.6 109,-2.8 -2,-0.3 2,-0.4 -0.838 30.5-119.3-146.5-179.2 -32.5 25.0 18.1 90 94 A W E -F 197 0B 62 -2,-0.2 82,-2.0 107,-0.2 83,-0.3 -0.968 9.3-127.3-136.4 146.7 -36.0 24.1 19.4 91 95 A S E - G 0 171B 0 105,-0.6 104,-2.3 -2,-0.4 2,-0.3 -0.550 35.1-174.0 -82.2 150.1 -38.7 21.4 19.2 92 96 A V E -FG 194 170B 1 78,-2.3 78,-1.9 33,-0.3 2,-0.4 -0.936 27.4-137.9-136.5 158.6 -42.3 22.4 18.2 93 97 A L E -FG 193 169B 0 100,-1.6 99,-3.1 -2,-0.3 100,-1.1 -0.985 31.3-171.2-106.5 136.4 -45.8 21.2 17.8 94 98 A I E +FG 191 168B 0 74,-2.4 74,-2.1 -2,-0.4 2,-0.3 -0.931 14.8 174.3-125.1 153.2 -47.5 22.4 14.7 95 99 A V E -F 190 0B 0 95,-1.7 95,-2.7 -2,-0.3 72,-0.1 -0.839 48.2 -77.0-142.5 169.1 -51.1 22.3 13.3 96 100 A N E > -F 189 0B 10 70,-0.5 3,-2.5 -2,-0.3 93,-0.3 -0.441 42.3-114.7 -70.4 147.9 -52.6 23.9 10.2 97 101 A K T 3 S+ 0 0 89 91,-2.7 -1,-0.1 1,-0.3 92,-0.1 0.774 117.8 57.7 -53.3 -26.8 -53.3 27.7 10.5 98 102 A D T 3 S+ 0 0 95 90,-0.3 -1,-0.3 2,-0.0 91,-0.1 0.415 83.1 113.2 -83.8 -4.1 -57.0 26.8 10.1 99 103 A S < - 0 0 16 -3,-2.5 -4,-0.1 1,-0.1 67,-0.0 -0.367 62.9-147.3 -66.7 146.4 -57.0 24.4 13.1 100 104 A P S S+ 0 0 84 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.652 75.6 103.0 -85.3 -9.5 -59.0 25.4 16.2 101 105 A I + 0 0 2 1,-0.2 -2,-0.1 -5,-0.1 3,-0.1 -0.609 42.4 162.9 -68.3 111.5 -56.2 23.6 18.2 102 106 A N - 0 0 34 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.621 53.6 -10.2-113.1 -11.5 -54.2 26.6 19.6 103 107 A N S > S- 0 0 4 845,-0.0 4,-2.1 846,-0.0 -1,-0.2 -0.944 83.0 -70.3-173.1 177.0 -52.1 25.2 22.4 104 108 A L H > S+ 0 0 14 88,-0.4 4,-3.4 -2,-0.3 5,-0.2 0.798 122.5 54.9 -57.4 -37.1 -51.4 22.3 24.7 105 109 A N H > S+ 0 0 89 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.950 110.3 48.0 -69.0 -43.6 -54.6 22.5 26.8 106 110 A D H > S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.919 115.3 46.1 -54.2 -47.8 -56.6 22.3 23.5 107 111 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.922 111.7 49.4 -67.4 -45.8 -54.5 19.3 22.4 108 112 A L H >< S+ 0 0 32 -4,-3.4 3,-0.6 1,-0.2 4,-0.3 0.950 113.4 47.6 -59.0 -45.0 -54.7 17.6 25.7 109 113 A A H 3< S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 121.7 33.7 -65.7 -26.6 -58.5 17.9 25.9 110 114 A K H >< S+ 0 0 82 -4,-1.6 3,-2.6 -3,-0.2 4,-0.2 0.435 81.6 112.8-110.6 0.5 -59.1 16.8 22.3 111 115 A R G X< S+ 0 0 56 -4,-1.2 3,-1.5 -3,-0.6 35,-0.8 0.738 70.7 58.7 -55.4 -36.2 -56.4 14.2 21.8 112 116 A K G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.707 112.1 44.1 -68.9 -17.2 -58.6 11.1 21.6 113 117 A D G < S+ 0 0 119 -3,-2.6 -1,-0.3 32,-0.1 2,-0.3 0.271 103.9 82.8-107.4 8.9 -60.3 12.8 18.6 114 118 A L S < S- 0 0 18 -3,-1.5 32,-2.1 -4,-0.2 33,-1.0 -0.771 71.8-126.2-114.1 159.2 -57.1 14.0 16.8 115 119 A T E -h 147 0B 13 -2,-0.3 52,-1.9 31,-0.2 51,-0.5 -0.881 29.4-156.4-104.5 132.5 -54.5 12.5 14.5 116 120 A F E -hi 148 167B 1 31,-3.3 33,-1.5 -2,-0.4 2,-0.8 -0.926 15.5-153.6-117.9 131.3 -51.0 12.9 15.7 117 121 A G E -hi 149 168B 2 50,-3.1 52,-2.3 -2,-0.4 33,-0.2 -0.845 23.4-170.2 -98.1 94.2 -47.7 12.8 13.7 118 122 A N E -h 150 0B 11 31,-2.0 33,-2.8 -2,-0.8 9,-0.2 -0.398 22.0-108.9 -79.3 160.7 -45.1 11.6 16.2 119 123 A G E -h 151 0B 0 7,-1.3 33,-0.2 31,-0.3 -1,-0.1 -0.227 44.3 -65.2 -83.8 177.2 -41.5 11.9 15.2 120 124 A D > - 0 0 7 31,-0.6 3,-3.2 30,-0.2 -1,-0.2 -0.412 52.4-122.5 -55.1 128.3 -38.8 9.3 14.3 121 125 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.671 112.5 49.2 -62.3 -9.7 -38.3 7.4 17.5 122 126 A N T 3 S+ 0 0 33 5,-0.1 -58,-0.5 4,-0.0 2,-0.4 0.160 87.9 117.6-104.3 16.7 -34.6 8.3 17.5 123 127 A S <>> - 0 0 2 -3,-3.2 5,-2.3 1,-0.2 4,-1.6 -0.752 51.9-158.1 -92.8 133.9 -35.3 12.0 17.0 124 128 A T T 4>S+ 0 0 1 -2,-0.4 5,-2.6 3,-0.2 -1,-0.2 0.975 97.5 24.3 -66.7 -61.6 -34.3 14.6 19.6 125 129 A S T 45S+ 0 0 1 1,-0.2 45,-0.4 3,-0.2 -33,-0.3 0.700 127.5 51.4 -74.8 -20.6 -36.7 17.3 18.6 126 130 A G T 45S- 0 0 0 -6,-0.1 -7,-1.3 43,-0.1 -2,-0.2 0.758 129.9 -2.4 -92.0 -25.0 -39.2 14.9 17.0 127 131 A F T X5S+ 0 0 56 -4,-1.6 4,-2.1 -9,-0.2 -3,-0.2 0.635 124.6 47.5-133.4 -61.3 -39.7 12.3 19.7 128 132 A L H >>S+ 0 0 0 0, 0.0 5,-2.5 0, 0.0 4,-1.6 0.888 111.5 65.5 -63.8 -35.8 -42.1 16.5 23.2 131 135 A G H <>S+ 0 0 10 -4,-2.1 5,-2.5 3,-0.2 -2,-0.2 0.819 112.0 33.1 -48.4 -37.6 -42.1 13.0 24.7 132 136 A Y H <>S+ 0 0 6 -4,-1.6 5,-2.6 -3,-0.5 6,-0.2 0.949 126.4 31.3 -87.4 -56.9 -41.0 14.5 27.9 133 137 A Y H <5S+ 0 0 27 -4,-2.2 -2,-0.1 3,-0.2 -4,-0.1 0.804 130.6 29.4 -77.7 -36.7 -42.5 18.0 28.3 134 138 A V T <5S+ 0 0 0 -4,-1.6 4,-0.3 -5,-0.3 -3,-0.2 0.854 134.7 21.8 -89.0 -50.3 -45.8 17.6 26.5 135 139 A F T XS+ 0 0 12 -5,-2.5 5,-2.1 2,-0.1 3,-0.4 0.960 126.3 37.8 -87.6 -64.4 -46.5 13.9 27.0 136 140 A A T > - 0 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X S+ 0 0 65 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.922 113.4 45.3 -62.8 -42.5 -24.0 12.8 47.5 519 220 B K H X S+ 0 0 82 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.858 114.0 48.1 -69.5 -41.1 -23.1 13.7 51.1 520 221 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.938 112.8 49.8 -59.7 -44.0 -19.4 13.8 50.5 521 222 B Y H X S+ 0 0 12 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.946 112.3 46.9 -65.6 -46.9 -20.0 16.1 47.4 522 223 B D H X S+ 0 0 79 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.883 110.0 55.2 -60.2 -41.2 -22.3 18.4 49.4 523 224 B F H X S+ 0 0 12 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.944 111.5 42.8 -53.8 -48.5 -19.6 18.5 52.2 524 225 B F H < S+ 0 0 1 -4,-2.5 21,-0.5 1,-0.2 3,-0.5 0.897 113.0 50.0 -72.9 -39.2 -16.9 19.6 49.8 525 226 B X H < S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.679 118.3 39.8 -70.9 -22.7 -18.9 22.2 47.8 526 227 B N H >< S+ 0 0 88 -4,-1.2 3,-0.7 -3,-0.3 -1,-0.2 0.463 85.0 118.0-107.8 -2.8 -20.1 23.9 51.0 527 228 B Y T 3< + 0 0 6 -4,-0.9 18,-0.2 -3,-0.5 -4,-0.0 -0.430 62.5 40.4 -70.3 138.3 -17.1 23.8 53.3 528 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-85.6 1.0 -61.5 54.7 51.4 1058 167 D K T < 5S+ 0 0 121 -3,-0.9 -3,-0.2 2,-0.2 -4,-0.1 0.778 79.3 123.4 59.1 29.5 -59.6 53.7 54.6 1059 168 D Q S -I 986 0I 8 -80,-0.3 4,-1.7 -2,-0.3 -80,-0.2 -0.973 28.2-105.7-160.1 158.0 -46.8 54.2 41.1 1067 176 D T H > S+ 0 0 31 -82,-1.8 4,-1.7 -2,-0.3 5,-0.1 0.758 114.5 56.6 -64.5 -26.1 -46.8 57.8 39.7 1068 177 D E H > S+ 0 0 48 -83,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.965 107.5 47.6 -72.1 -45.3 -48.6 56.8 36.4 1069 178 D N H > S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.877 108.0 54.8 -63.5 -39.5 -51.6 55.3 38.2 1070 179 D L H >X S+ 0 0 18 -4,-1.7 4,-0.8 2,-0.2 3,-0.6 0.940 109.6 47.0 -57.0 -46.6 -52.0 58.2 40.5 1071 180 D D H >X S+ 0 0 78 -4,-1.7 3,-0.7 1,-0.2 4,-0.6 0.873 106.1 59.2 -66.3 -32.2 -52.2 60.5 37.5 1072 181 D K H >X S+ 0 0 36 -4,-2.2 4,-2.0 1,-0.2 3,-1.0 0.840 98.3 61.2 -56.3 -30.5 -54.7 58.1 36.0 1073 182 D L H X + 0 0 21 -4,-2.5 4,-1.9 -5,-0.2 3,-1.7 -0.279 63.5 170.4-151.8 66.1 -61.6 59.4 40.5 1078 187 D P H 3> S+ 0 0 75 0, 0.0 4,-1.4 0, 0.0 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W E -H 988 0I 42 -100,-0.9 -100,-1.6 -90,-0.2 2,-0.3 -0.971 59.5-168.5-157.6 145.2 -41.9 56.9 50.0 1089 198 D K E -H 987 0I 108 -2,-0.3 -102,-0.2 -102,-0.2 3,-0.1 -0.995 15.8-135.6-139.7 145.5 -40.7 56.9 46.3 1090 199 D S E - 0 0 12 -104,-2.4 2,-0.1 -2,-0.3 3,-0.1 -0.060 35.2 -80.2 -85.8-178.2 -38.4 54.4 44.5 1091 200 D P E S- 0 0 66 0, 0.0 -105,-0.5 0, 0.0 -1,-0.2 -0.444 72.8 -69.8 -69.6 161.8 -35.5 54.9 42.0 1092 201 D L E -H 985 0I 82 -107,-0.1 -107,-0.2 -2,-0.1 -109,-0.0 -0.248 47.5-152.4 -55.3 142.1 -36.7 55.6 38.4 1093 202 D I E -H 984 0I 4 -109,-3.0 -109,-2.3 -3,-0.1 2,-0.1 -0.941 23.7-110.5-113.8 140.2 -38.2 52.6 36.5 1094 203 D P - 0 0 29 0, 0.0 -137,-0.2 0, 0.0 -111,-0.2 -0.483 45.8 -82.0 -72.0 148.7 -38.0 52.5 32.7 1095 204 D G - 0 0 7 -113,-0.4 -119,-0.1 -120,-0.2 -112,-0.0 0.053 56.4 -91.7 -42.6 147.4 -41.1 53.0 30.6 1096 205 D D - 0 0 6 -122,-0.1 -121,-3.4 -3,-0.1 -140,-0.2 -0.348 44.6-134.4 -63.8 144.7 -43.4 49.9 30.1 1097 206 D P E - F 0 974H 0 0, 0.0 -142,-1.6 0, 0.0 2,-0.4 -0.513 2.6-128.9 -93.0 169.8 -42.6 47.8 27.0 1098 207 D I E -EF 954 973H 0 -125,-2.5 -126,-2.0 -144,-0.2 -125,-1.1 -0.984 30.1-167.5-113.0 135.0 -44.8 46.2 24.3 1099 208 D V E -EF 953 971H 0 -146,-2.0 -146,-2.0 -2,-0.4 2,-0.3 -0.942 10.3-163.4-128.1 133.5 -44.3 42.5 23.7 1100 209 D W E -EF 952 970H 2 -130,-2.4 -130,-2.1 -2,-0.4 2,-0.4 -0.780 29.2-110.4-108.7 163.2 -45.3 40.0 21.0 1101 210 D R E > - F 0 969H 20 -150,-1.6 3,-1.0 -2,-0.3 -132,-0.2 -0.748 25.0-133.0 -87.3 142.5 -45.3 36.3 21.1 1102 211 D K T 3 S+ 0 0 79 -134,-2.7 -133,-0.1 -2,-0.4 -1,-0.1 0.636 95.4 67.1 -70.3 -16.0 -42.7 34.8 18.8 1103 212 D N T 3 S+ 0 0 25 -135,-0.2 -912,-0.4 -912,-0.0 -1,-0.2 0.191 72.1 106.8-104.2 15.8 -44.9 32.2 17.1 1104 213 D L S < S- 0 0 14 -3,-1.0 2,-0.0 1,-0.2 -4,-0.0 -0.489 88.6 -90.0 -56.6 155.0 -47.0 34.7 15.4 1105 214 D S > - 0 0 42 -2,-0.2 4,-1.6 1,-0.1 -1,-0.2 -0.268 29.7-118.2 -65.8 163.6 -46.1 34.7 11.8 1106 215 D E H > S+ 0 0 110 2,-0.2 4,-3.9 1,-0.2 5,-0.2 0.926 111.4 53.6 -71.8 -45.7 -43.3 36.9 10.5 1107 216 D T H > S+ 0 0 83 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.867 110.6 46.3 -65.7 -36.7 -45.5 39.0 8.2 1108 217 D T H > S+ 0 0 30 2,-0.2 4,-2.5 3,-0.2 -1,-0.3 0.877 114.1 49.8 -71.2 -34.7 -48.0 39.8 11.0 1109 218 D K H X S+ 0 0 29 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.985 108.6 51.4 -59.2 -59.5 -44.9 40.6 13.1 1110 219 D D H X S+ 0 0 87 -4,-3.9 4,-1.3 1,-0.2 -2,-0.2 0.893 113.5 47.7 -37.5 -52.3 -43.6 42.8 10.3 1111 220 D K H X S+ 0 0 93 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.861 107.4 52.5 -61.9 -46.5 -47.1 44.4 10.4 1112 221 D I H X S+ 0 0 2 -4,-2.5 4,-1.7 -3,-0.2 -1,-0.2 0.893 106.7 55.2 -61.6 -38.7 -47.4 45.0 14.2 1113 222 D Y H X S+ 0 0 23 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.920 105.3 49.7 -60.8 -48.7 -44.0 46.8 14.3 1114 223 D D H X S+ 0 0 62 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.839 106.7 55.5 -70.1 -34.6 -44.8 49.5 11.7 1115 224 D F H X S+ 0 0 8 -4,-1.6 4,-3.0 2,-0.2 3,-0.3 0.995 114.0 39.7 -54.4 -58.7 -48.0 50.4 13.3 1116 225 D F H < S+ 0 0 1 -4,-1.7 21,-0.5 1,-0.3 -2,-0.2 0.858 116.7 50.1 -61.1 -40.4 -46.3 51.1 16.7 1117 226 D X H < S+ 0 0 65 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.860 121.5 35.1 -63.5 -33.9 -43.3 52.7 15.0 1118 227 D N H >< S+ 0 0 106 -4,-2.1 3,-0.8 -3,-0.3 -2,-0.2 0.727 92.4 109.0 -93.2 -25.9 -45.7 55.0 13.0 1119 228 D Y T 3< S+ 0 0 5 -4,-3.0 18,-0.3 1,-0.2 -4,-0.0 -0.070 70.6 30.3 -61.1 152.6 -48.6 55.7 15.3 1120 229 D G T 3 S+ 0 0 0 16,-0.1 -1,-0.2 2,-0.1 -4,-0.0 0.597 82.0 114.1 77.8 12.8 -49.4 59.0 16.9 1121 230 D K < + 0 0 172 -3,-0.8 -2,-0.1 4,-0.1 5,-0.0 0.921 66.2 63.3 -72.8 -54.1 -47.9 60.9 14.0 1122 231 D T S > S- 0 0 51 1,-0.1 4,-1.4 4,-0.0 3,-0.4 -0.506 96.6-117.0 -69.6 141.0 -51.2 62.5 13.0 1123 232 D P H > S+ 0 0 112 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.754 115.6 57.2 -51.7 -28.4 -52.8 64.8 15.6 1124 233 D E H >> S+ 0 0 160 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.954 107.8 45.8 -66.8 -49.7 -55.8 62.3 15.9 1125 234 D E H 3> S+ 0 0 29 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.715 109.4 57.4 -63.3 -24.4 -53.4 59.5 16.8 1126 235 D K H 3X S+ 0 0 101 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.773 101.1 55.8 -76.9 -27.5 -51.7 61.8 19.3 1127 236 D A H S+ 0 0 0 -4,-1.3 5,-3.2 1,-0.2 4,-0.5 0.872 108.3 62.3 -69.0 -38.6 -51.9 58.4 23.3 1130 239 D E H ><5S+ 0 0 124 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.907 105.6 46.0 -49.9 -44.5 -52.4 61.6 25.2 1131 240 D R H 3<5S+ 0 0 150 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 112.5 49.8 -72.9 -29.1 -55.4 60.0 26.9 1132 241 D L H 3<5S- 0 0 2 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.420 120.6-114.4 -81.9 -1.4 -53.4 56.8 27.6 1133 242 D G T <<5S+ 0 0 33 -3,-1.0 -155,-1.8 -4,-0.5 -154,-0.3 0.646 75.8 118.7 78.6 18.6 -50.7 59.2 29.0 1134 243 D W E < -G 977 0H 14 -5,-3.2 -1,-0.3 -157,-0.2 -157,-0.2 -0.725 51.0-152.7-117.1 160.1 -48.2 58.4 26.3 1135 244 D A E -G 976 0H 28 -159,-3.2 -159,-0.6 1,-0.3 -157,-0.1 -0.536 62.3 -45.0-103.8-174.3 -46.2 60.1 23.5 1136 245 D P E - 0 0 47 0, 0.0 -1,-0.3 0, 0.0 -16,-0.1 -0.161 69.7-109.3 -49.9 146.7 -45.0 58.3 20.4 1137 246 D F E - 0 0 14 -21,-0.5 2,-0.3 -18,-0.3 -162,-0.2 -0.208 25.4-141.7 -72.0 166.5 -43.5 54.9 21.0 1138 247 D R E -G 974 0H 83 -164,-2.0 -164,-2.4 -245,-0.0 -166,-0.1 -0.971 25.3-100.8-127.9 149.6 -39.8 54.1 20.6 1139 248 D A E +G 973 0H 5 -2,-0.3 -166,-0.3 -166,-0.2 2,-0.3 -0.287 54.4 158.2 -57.6 152.4 -38.2 50.9 19.2 1140 249 D S - 0 0 4 -168,-1.2 2,-0.3 -42,-0.1 -250,-0.2 -0.866 21.1-163.0-162.3-173.7 -36.9 48.7 22.0 1141 250 D S > - 0 0 15 -2,-0.3 3,-2.1 -251,-0.1 4,-0.2 -0.922 52.2 -64.2-168.6 175.1 -36.0 45.1 22.7 1142 251 D D G > S+ 0 0 50 -171,-0.4 3,-1.7 1,-0.3 4,-0.3 0.655 115.8 80.0 -44.1 -24.8 -35.4 42.6 25.5 1143 252 D L G > S+ 0 0 31 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.688 76.8 68.9 -64.8 -19.7 -32.4 44.8 26.6 1144 253 D Q G < S+ 0 0 13 -3,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.729 92.0 63.7 -70.5 -15.9 -34.7 47.3 28.4 1145 254 D L G X> S+ 0 0 0 -3,-1.7 4,-3.0 -4,-0.2 3,-0.8 0.676 75.6 94.0 -77.9 -17.5 -35.3 44.5 30.9 1146 255 D V H <> S+ 0 0 7 -3,-1.0 4,-1.5 1,-0.3 -1,-0.2 0.810 82.9 46.9 -52.3 -51.8 -31.7 44.3 32.2 1147 256 D P H 3> S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 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