==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BINDING PROTEIN 13-JUN-97 1AMF . COMPND 2 MOLECULE: MOLYBDATE TRANSPORT PROTEIN MODA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.HU,S.RECH,R.P.GUNSALUS,D.C.REES . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 12.1 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 . 0 0.0 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 . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 1 0 0 3 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 3 A G 0 0 91 0, 0.0 28,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-155.2 58.3 21.6 26.6 2 4 A K E -a 29 0A 130 26,-0.2 2,-0.4 28,-0.0 28,-0.2 -0.996 360.0-148.6-137.8 134.5 54.8 22.4 27.7 3 5 A I E -a 30 0A 0 26,-2.7 28,-3.3 -2,-0.4 2,-0.5 -0.884 6.2-152.9-107.1 136.8 52.8 25.7 27.1 4 6 A T E -a 31 0A 42 -2,-0.4 47,-2.8 26,-0.2 48,-1.6 -0.950 11.5-168.9-111.5 119.5 50.2 27.0 29.6 5 7 A V E -ab 32 52A 0 26,-2.8 28,-2.5 -2,-0.5 2,-0.6 -0.921 11.4-160.1-111.1 130.2 47.4 29.1 28.2 6 8 A F E +ab 33 53A 15 46,-2.4 48,-2.1 -2,-0.4 2,-0.4 -0.973 28.8 174.9-106.3 114.0 45.0 31.1 30.4 7 9 A A E -ab 34 54A 0 26,-2.6 28,-1.2 -2,-0.6 48,-0.2 -0.958 36.9 -95.9-130.0 145.1 42.0 31.8 28.2 8 10 A A E > -a 35 0A 1 46,-1.9 3,-2.4 -2,-0.4 28,-0.2 -0.181 42.1-113.7 -48.9 144.8 38.5 33.4 28.6 9 11 A A G > S+ 0 0 5 26,-1.4 3,-2.0 1,-0.3 -1,-0.1 0.819 114.2 66.9 -55.6 -34.5 35.8 30.8 29.2 10 12 A S G 3 S+ 0 0 3 1,-0.3 -1,-0.3 25,-0.1 4,-0.3 0.663 94.5 60.4 -62.7 -14.0 34.2 31.5 25.9 11 13 A L G <> S+ 0 0 0 -3,-2.4 4,-2.9 1,-0.2 5,-0.4 0.418 71.9 111.1 -93.6 3.6 37.3 30.1 24.2 12 14 A T H <> S+ 0 0 28 -3,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.865 81.1 34.6 -44.8 -57.0 37.0 26.6 25.7 13 15 A N H > S+ 0 0 41 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 119.5 47.9 -70.5 -47.2 36.1 24.6 22.6 14 16 A A H > S+ 0 0 1 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.938 112.7 49.6 -60.1 -47.2 38.2 26.5 20.1 15 17 A M H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.861 108.9 51.8 -63.3 -36.8 41.3 26.4 22.3 16 18 A Q H X S+ 0 0 101 -4,-1.7 4,-2.0 -5,-0.4 -1,-0.2 0.938 111.9 46.4 -66.1 -41.5 41.0 22.7 23.0 17 19 A D H X S+ 0 0 50 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 113.0 49.6 -65.6 -41.1 40.8 22.0 19.2 18 20 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.938 110.3 50.4 -62.8 -43.6 43.7 24.3 18.5 19 21 A A H X S+ 0 0 12 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.863 109.9 50.9 -62.0 -39.1 45.8 22.6 21.2 20 22 A T H X S+ 0 0 73 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.943 112.8 45.6 -63.7 -47.1 45.0 19.2 19.8 21 23 A Q H X S+ 0 0 65 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.882 110.6 53.0 -63.5 -44.3 46.1 20.3 16.3 22 24 A F H X>S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 5,-0.6 0.880 109.0 49.7 -62.1 -39.6 49.2 22.0 17.5 23 25 A K H X5S+ 0 0 81 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.886 110.9 50.8 -67.7 -36.3 50.3 18.8 19.3 24 26 A K H <5S+ 0 0 147 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.970 121.8 30.5 -64.7 -52.0 49.7 16.8 16.2 25 27 A E H <5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.566 135.2 23.1 -88.5 -8.3 51.7 19.0 13.9 26 28 A K H <5S- 0 0 128 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.488 90.9-127.0-130.4 -13.1 54.4 20.4 16.2 27 29 A G << + 0 0 52 -4,-1.3 2,-0.4 -5,-0.6 -4,-0.2 0.437 63.1 129.4 81.4 0.4 54.7 17.9 19.1 28 30 A V - 0 0 27 -6,-0.6 2,-0.4 178,-0.1 -1,-0.2 -0.720 56.6-127.2 -96.9 138.2 54.2 20.4 21.9 29 31 A D E -a 2 0A 58 -28,-1.1 -26,-2.7 -2,-0.4 2,-0.5 -0.656 21.6-164.1 -80.5 127.6 51.8 19.9 24.8 30 32 A V E -a 3 0A 17 -2,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.967 1.6-166.6-117.6 120.9 49.4 22.9 25.3 31 33 A V E -a 4 0A 66 -28,-3.3 -26,-2.8 -2,-0.5 2,-0.4 -0.935 8.4-161.3-108.9 124.6 47.6 23.0 28.6 32 34 A S E -a 5 0A 32 -2,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.829 11.9-162.1-110.9 145.0 44.7 25.5 28.9 33 35 A S E -a 6 0A 45 -28,-2.5 -26,-2.6 -2,-0.4 2,-0.4 -0.990 15.5-161.2-122.0 123.8 43.0 26.9 32.0 34 36 A F E +a 7 0A 49 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.938 30.3 118.2-112.0 136.3 39.5 28.4 31.3 35 37 A A E -a 8 0A 17 -28,-1.2 -26,-1.4 -2,-0.4 -25,-0.1 -0.932 69.8 -45.4-171.5-178.7 37.7 30.9 33.6 36 38 A S > - 0 0 4 112,-0.3 4,-2.0 -2,-0.3 5,-0.2 -0.388 55.3-120.5 -60.4 144.2 36.3 34.4 33.5 37 39 A S H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.855 113.7 55.7 -57.2 -33.0 38.9 36.8 32.1 38 40 A S H > S+ 0 0 0 82,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.932 106.1 49.4 -66.2 -45.1 38.9 38.8 35.3 39 41 A T H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.921 112.6 47.8 -59.9 -45.0 39.7 35.7 37.4 40 42 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.894 108.9 52.8 -66.0 -40.6 42.6 34.8 35.1 41 43 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.921 110.7 47.8 -62.8 -41.4 44.1 38.3 35.1 42 44 A R H X S+ 0 0 106 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.878 110.1 51.9 -67.5 -35.3 44.1 38.3 38.9 43 45 A Q H X>S+ 0 0 75 -4,-2.0 5,-2.7 2,-0.2 4,-1.0 0.905 110.3 48.9 -66.8 -37.9 45.8 34.9 39.0 44 46 A I H <5S+ 0 0 9 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.913 110.0 52.0 -66.8 -39.3 48.5 36.1 36.6 45 47 A E H <5S+ 0 0 82 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.908 106.5 53.5 -61.9 -44.2 49.0 39.2 38.8 46 48 A A H <5S- 0 0 93 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.734 129.7 -94.5 -64.0 -25.0 49.4 37.0 41.9 47 49 A G T <5 + 0 0 57 -4,-1.0 -3,-0.2 -3,-0.5 -2,-0.1 0.541 63.7 162.0 121.4 10.7 52.1 35.1 40.1 48 50 A A < - 0 0 29 -5,-2.7 2,-1.9 -6,-0.1 -1,-0.2 -0.398 47.9-115.3 -60.5 135.7 50.4 32.0 38.5 49 51 A P + 0 0 96 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.290 55.1 152.1 -75.4 61.7 52.7 30.6 35.8 50 52 A A - 0 0 0 -2,-1.9 -45,-0.2 1,-0.1 3,-0.1 -0.577 32.1-161.0 -86.8 150.8 50.7 31.2 32.6 51 53 A D S S+ 0 0 16 -47,-2.8 148,-2.7 1,-0.3 2,-0.3 0.800 76.5 22.0 -95.2 -39.1 52.6 31.7 29.2 52 54 A L E -bC 5 198A 0 -48,-1.6 -46,-2.4 146,-0.3 2,-0.4 -0.945 63.7-160.1-128.2 153.4 49.8 33.3 27.2 53 55 A F E -bC 6 197A 0 144,-2.3 144,-1.7 -2,-0.3 2,-0.5 -0.999 4.4-173.5-135.8 128.6 46.7 35.1 28.2 54 56 A I E -bC 7 196A 1 -48,-2.1 -46,-1.9 -2,-0.4 2,-0.3 -0.981 13.7-163.8-125.0 116.1 43.7 35.7 26.0 55 57 A S - 0 0 0 140,-2.1 -19,-0.0 -2,-0.5 -2,-0.0 -0.682 25.8-137.2-100.9 151.8 41.0 38.0 27.4 56 58 A A S S+ 0 0 2 -2,-0.3 137,-0.3 138,-0.2 2,-0.3 0.395 91.7 27.0 -85.0 -0.8 37.3 38.4 26.3 57 59 A D S > S- 0 0 7 135,-0.1 4,-0.6 138,-0.1 -2,-0.1 -0.975 76.3-120.5-151.7 164.9 37.7 42.2 26.7 58 60 A Q H >> S+ 0 0 40 -2,-0.3 4,-2.9 1,-0.2 3,-0.7 0.868 103.4 71.4 -74.0 -37.4 40.4 44.9 26.5 59 61 A K H 3> S+ 0 0 113 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.873 99.4 43.0 -45.3 -54.4 39.7 45.9 30.1 60 62 A W H 3> S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.755 113.2 52.1 -72.1 -20.3 41.2 42.8 31.8 61 63 A M H S+ 0 0 0 -4,-1.7 5,-2.2 1,-0.2 6,-0.4 0.869 111.0 55.9 -62.5 -38.1 47.3 42.8 33.6 65 67 A V H ><5S+ 0 0 35 -4,-2.7 3,-1.8 1,-0.2 5,-0.3 0.927 105.3 52.6 -61.4 -42.0 49.4 45.3 31.6 66 68 A D H 3<5S+ 0 0 125 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.763 104.1 55.4 -64.6 -30.8 49.3 47.8 34.5 67 69 A K T 3<5S- 0 0 97 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.286 117.1-116.8 -85.1 11.3 50.5 45.3 37.0 68 70 A K T < 5S+ 0 0 184 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.745 80.6 124.0 61.1 31.4 53.5 44.8 34.7 69 71 A A < + 0 0 14 -5,-2.2 131,-2.6 130,-0.1 2,-0.4 0.459 52.6 75.8-101.7 2.9 52.6 41.2 34.0 70 72 A I B S-F 199 0B 6 -6,-0.4 2,-1.6 129,-0.3 129,-0.2 -0.893 75.9-130.0-122.8 139.7 52.4 41.4 30.2 71 73 A D > - 0 0 38 127,-2.9 3,-2.0 -2,-0.4 127,-0.5 -0.703 34.5-162.6 -79.1 93.2 55.1 41.5 27.5 72 74 A T G > S+ 0 0 89 -2,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.775 77.9 66.1 -56.0 -34.6 53.4 44.5 25.9 73 75 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.739 101.7 53.7 -61.1 -18.9 55.0 44.4 22.5 74 76 A T G < S+ 0 0 10 -3,-2.0 -1,-0.3 124,-0.2 -2,-0.2 0.596 79.3 116.6 -90.5 -11.5 53.2 41.1 22.0 75 77 A R < + 0 0 69 -3,-1.6 2,-0.3 -4,-0.4 122,-0.2 -0.380 36.2 156.9 -62.7 128.4 49.7 42.4 22.8 76 78 A Q E -D 196 0A 76 120,-2.2 120,-2.6 -2,-0.2 2,-0.5 -0.994 46.8-113.2-153.4 140.0 47.3 42.2 19.8 77 79 A T E +D 195 0A 42 -2,-0.3 3,-0.1 118,-0.2 -19,-0.0 -0.670 39.7 171.7 -74.6 122.9 43.5 42.1 19.3 78 80 A L E + 0 0 9 116,-3.1 153,-2.0 -2,-0.5 2,-0.3 0.847 49.1 20.4-101.8 -43.7 42.9 38.6 17.9 79 81 A L E -DE 194 230A 1 115,-1.2 115,-2.4 151,-0.2 2,-0.3 -0.845 50.9-154.6-130.7 165.3 39.1 38.0 17.7 80 82 A G E +DE 193 229A 0 149,-2.4 149,-1.9 -2,-0.3 2,-0.3 -0.797 17.0 179.1-127.6 169.9 35.8 39.6 17.6 81 83 A N E -D 192 0A 4 111,-1.1 111,-0.6 -2,-0.3 2,-0.3 -0.959 21.8-119.2-162.5 172.1 32.4 38.3 18.7 82 84 A S - 0 0 35 -2,-0.3 87,-2.3 145,-0.2 2,-0.5 -0.826 21.2-124.5-118.9 161.9 28.7 39.2 19.0 83 85 A L E +G 168 0C 0 -2,-0.3 101,-2.5 101,-0.3 2,-0.3 -0.933 39.3 170.3-109.6 124.5 26.5 39.5 22.1 84 86 A V E -GH 167 183C 4 83,-2.9 83,-1.9 -2,-0.5 2,-0.5 -0.810 34.7-122.5-131.1 170.0 23.2 37.4 21.9 85 87 A V E -GH 166 182C 0 97,-2.5 96,-2.7 -2,-0.3 97,-1.1 -0.966 32.2-168.1-112.7 127.9 20.3 36.1 23.9 86 88 A V E -GH 165 180C 0 79,-2.8 79,-1.6 -2,-0.5 94,-0.2 -0.810 8.0-167.5-115.8 158.5 19.8 32.3 24.0 87 89 A A E - H 0 179C 0 92,-2.0 92,-2.1 -2,-0.3 77,-0.2 -0.896 42.5 -75.2-136.5 162.0 16.9 30.1 25.2 88 90 A P E > - H 0 178C 11 0, 0.0 3,-2.1 0, 0.0 90,-0.3 -0.306 45.1-116.2 -59.5 147.6 16.8 26.3 25.8 89 91 A K T 3 S+ 0 0 122 88,-2.1 89,-0.1 1,-0.3 88,-0.1 0.933 115.3 43.8 -48.3 -52.7 16.7 24.2 22.6 90 92 A A T 3 S+ 0 0 101 87,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.131 88.1 121.1 -83.1 17.9 13.2 22.9 23.4 91 93 A S < - 0 0 35 -3,-2.1 -4,-0.1 1,-0.1 69,-0.0 -0.486 63.4-138.9 -80.2 156.5 11.8 26.3 24.5 92 94 A V + 0 0 136 -2,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.307 60.3 132.7 -94.8 4.7 8.8 27.7 22.7 93 95 A Q - 0 0 43 -5,-0.2 2,-0.2 70,-0.1 -2,-0.1 -0.339 46.2-147.1 -60.0 131.5 10.4 31.1 22.9 94 96 A K - 0 0 160 1,-0.1 -1,-0.1 -2,-0.1 87,-0.1 -0.637 26.8 -80.9-103.5 159.8 10.3 32.9 19.5 95 97 A D - 0 0 137 -2,-0.2 2,-0.3 85,-0.1 87,-0.2 -0.193 50.7-176.7 -53.6 149.3 12.7 35.3 17.9 96 98 A F - 0 0 35 85,-2.4 87,-0.3 -3,-0.1 2,-0.3 -0.979 23.8-120.9-150.7 155.6 12.6 38.9 19.0 97 99 A T - 0 0 108 -2,-0.3 2,-0.6 85,-0.1 87,-0.1 -0.681 22.9-134.7 -96.0 151.8 14.2 42.2 18.3 98 100 A I + 0 0 12 85,-0.4 2,-0.3 -2,-0.3 85,-0.0 -0.955 45.4 128.6-113.5 114.5 16.1 44.2 20.9 99 101 A D S > S- 0 0 74 -2,-0.6 3,-1.7 35,-0.1 35,-0.1 -0.882 73.6 -72.5-149.0-178.9 15.4 48.0 21.1 100 102 A S T 3 S+ 0 0 102 1,-0.3 -2,-0.0 -2,-0.3 34,-0.0 0.769 128.9 48.3 -53.4 -27.6 14.4 50.7 23.5 101 103 A K T 3 S+ 0 0 161 2,-0.1 2,-0.3 3,-0.0 -1,-0.3 -0.091 75.4 135.9-109.2 36.7 10.9 49.3 23.7 102 104 A T < - 0 0 23 -3,-1.7 2,-1.3 32,-0.2 3,-0.2 -0.645 53.4-134.0 -80.9 136.5 11.6 45.6 24.2 103 105 A N > + 0 0 80 -2,-0.3 4,-1.5 1,-0.2 3,-0.3 -0.638 33.6 167.9 -96.3 84.7 9.4 44.1 26.9 104 106 A W H > S+ 0 0 8 -2,-1.3 4,-2.4 1,-0.2 5,-0.2 0.849 70.2 61.7 -62.0 -38.3 11.8 42.1 29.0 105 107 A T H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.887 106.7 43.8 -57.7 -44.6 9.4 41.5 31.9 106 108 A S H 4 S+ 0 0 71 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.4 54.8 -66.9 -41.6 6.9 39.5 29.7 107 109 A L H < S+ 0 0 36 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.872 113.3 40.7 -58.8 -44.0 9.8 37.6 28.1 108 110 A L H >< S- 0 0 3 -4,-2.4 3,-1.3 3,-0.1 -2,-0.2 0.896 83.7-169.8 -74.2 -47.6 11.1 36.4 31.4 109 111 A N T 3< S- 0 0 141 -4,-2.3 -3,-0.1 1,-0.3 3,-0.1 0.930 76.3 -36.3 58.9 56.0 7.7 35.7 33.0 110 112 A G T 3 S+ 0 0 86 -5,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.403 119.8 110.5 80.0 -9.1 8.8 35.1 36.6 111 113 A G < - 0 0 21 -3,-1.3 -1,-0.3 1,-0.1 2,-0.2 -0.495 68.5-107.4 -93.0 168.6 12.1 33.5 35.4 112 114 A R - 0 0 134 49,-0.3 52,-0.9 -2,-0.2 2,-0.7 -0.648 17.0-122.3 -99.4 156.4 15.6 34.9 35.7 113 115 A L E -ij 144 164C 0 30,-2.6 32,-2.2 -2,-0.2 2,-0.3 -0.862 28.6-139.7 -97.5 109.5 18.0 36.3 33.1 114 116 A A E +ij 145 165C 0 50,-2.6 52,-2.7 -2,-0.7 2,-0.3 -0.535 35.9 157.1 -72.5 127.8 21.3 34.3 33.1 115 117 A V E -i 146 0C 5 30,-1.9 32,-1.0 -2,-0.3 2,-0.2 -0.969 49.3 -97.6-147.0 158.6 24.4 36.5 32.8 116 118 A G E S-i 147 0C 0 50,-0.4 32,-0.2 -2,-0.3 34,-0.1 -0.567 71.0 -77.0 -71.9 145.8 28.1 36.4 33.5 117 119 A D >> - 0 0 38 30,-2.8 4,-2.4 -2,-0.2 3,-1.9 -0.280 43.2-148.6 -47.2 112.7 28.5 38.3 36.8 118 120 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.634 90.2 73.0 -63.9 -10.3 28.2 42.0 35.6 119 121 A E T 34 S- 0 0 142 1,-0.1 -2,-0.1 6,-0.0 -3,-0.0 0.736 128.3 -21.3 -74.2 -26.6 30.6 43.0 38.4 120 122 A H T <4 S+ 0 0 49 -3,-1.9 -82,-0.3 1,-0.1 -1,-0.1 0.534 100.3 104.9-157.7 -23.0 33.6 41.4 36.6 121 123 A V >X - 0 0 4 -4,-2.4 4,-2.1 26,-0.2 3,-1.1 -0.617 66.1-133.4 -71.8 125.3 32.9 38.8 33.9 122 124 A P H 3> S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.889 105.7 54.6 -45.8 -46.5 33.5 40.4 30.5 123 125 A A H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.842 111.3 45.8 -58.5 -34.0 30.2 38.9 29.1 124 126 A G H <> S+ 0 0 0 -3,-1.1 4,-2.7 -7,-0.3 -1,-0.2 0.836 111.2 51.7 -76.2 -35.0 28.3 40.5 32.0 125 127 A I H X S+ 0 0 39 -4,-2.1 4,-2.1 -8,-0.2 -2,-0.2 0.900 111.1 46.9 -69.1 -41.3 30.1 43.8 31.6 126 128 A Y H X S+ 0 0 9 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.927 114.8 48.8 -64.5 -44.7 29.2 44.0 27.9 127 129 A A H X S+ 0 0 2 -4,-1.6 4,-3.0 -5,-0.3 5,-0.2 0.922 110.1 48.8 -61.6 -47.3 25.6 43.0 28.8 128 130 A K H X S+ 0 0 55 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.925 111.0 51.9 -60.8 -42.3 25.2 45.5 31.6 129 131 A E H X S+ 0 0 51 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.933 112.8 44.8 -59.5 -47.1 26.5 48.2 29.3 130 132 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.954 113.7 48.6 -62.3 -51.7 24.0 47.3 26.6 131 133 A L H <>S+ 0 0 1 -4,-3.0 6,-1.7 1,-0.2 5,-1.6 0.776 112.2 49.7 -61.2 -30.8 21.0 47.0 29.0 132 134 A Q H ><5S+ 0 0 105 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.2 0.895 110.3 49.6 -74.4 -39.6 21.9 50.4 30.5 133 135 A K H 3<5S+ 0 0 120 -4,-2.1 -2,-0.2 55,-0.3 -1,-0.2 0.830 112.7 47.7 -67.9 -30.2 22.1 52.0 27.1 134 136 A L T 3<5S- 0 0 19 -4,-2.0 -1,-0.3 -5,-0.2 -32,-0.2 0.309 114.0-119.4 -90.6 6.2 18.7 50.5 26.1 135 137 A G T < 5S+ 0 0 60 -3,-1.3 4,-0.2 -5,-0.2 -3,-0.2 0.519 85.4 111.0 68.3 9.9 17.2 51.7 29.4 136 138 A A >< + 0 0 8 -5,-1.6 4,-2.2 -6,-0.2 3,-0.5 0.577 47.7 89.8 -90.6 -9.7 16.3 48.1 30.6 137 139 A W H > S+ 0 0 38 -6,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.917 82.0 52.1 -54.7 -54.9 18.8 47.8 33.4 138 140 A D H 4 S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.836 115.4 44.8 -53.3 -32.1 16.7 49.2 36.3 139 141 A T H 4 S+ 0 0 67 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.846 118.3 42.0 -77.9 -42.2 14.0 46.7 35.3 140 142 A L H >< S+ 0 0 0 -4,-2.2 3,-2.5 1,-0.2 4,-0.3 0.781 90.4 82.1 -80.4 -32.3 16.4 43.7 34.9 141 143 A S G >< S+ 0 0 50 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.829 93.3 48.2 -47.1 -41.6 18.8 44.0 37.8 142 144 A P G 3 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.566 111.0 55.1 -79.3 -0.5 16.6 42.3 40.4 143 145 A K G < S+ 0 0 62 -3,-2.5 -30,-2.6 -4,-0.1 -2,-0.2 0.259 81.0 118.8-112.2 12.2 15.9 39.5 37.9 144 146 A L E < -i 113 0C 18 -3,-1.0 -30,-0.2 -4,-0.3 -3,-0.0 -0.339 48.3-158.1 -79.8 158.2 19.4 38.4 37.1 145 147 A A E -i 114 0C 17 -32,-2.2 -30,-1.9 -2,-0.1 11,-0.1 -0.853 27.2-158.2-130.0 83.9 20.9 34.9 37.7 146 148 A P E -i 115 0C 79 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.326 7.9-163.6 -67.3 155.1 24.7 35.8 37.7 147 149 A A E -i 116 0C 15 -32,-1.0 -30,-2.8 -26,-0.0 -26,-0.2 -0.953 33.0-108.8-137.9 159.3 27.4 33.2 37.0 148 150 A E S S- 0 0 161 -2,-0.3 -112,-0.3 -32,-0.2 2,-0.3 0.677 98.5 -11.6 -56.1 -34.0 31.2 32.8 37.5 149 151 A D S >> S- 0 0 30 -34,-0.1 4,-1.6 -114,-0.1 3,-0.8 -0.946 84.7 -83.2-157.4 176.3 31.9 33.1 33.8 150 152 A V H 3> S+ 0 0 3 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.812 125.7 55.0 -61.4 -29.5 30.0 33.1 30.4 151 153 A R H 3> S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.805 103.1 56.0 -74.0 -26.2 29.9 29.3 30.3 152 154 A G H <> S+ 0 0 23 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.896 108.9 47.4 -69.1 -39.3 28.3 29.2 33.7 153 155 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 3,-0.3 0.935 110.5 52.0 -65.6 -44.6 25.5 31.5 32.3 154 156 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 3,-0.4 0.907 106.1 54.5 -56.6 -45.0 25.2 29.2 29.3 155 157 A A H X S+ 0 0 17 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.854 101.0 59.5 -59.1 -37.4 24.8 26.1 31.5 156 158 A L H <>S+ 0 0 28 -4,-1.4 5,-3.1 -3,-0.3 6,-0.9 0.887 111.0 40.9 -60.1 -40.2 21.9 27.8 33.4 157 159 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.6 -3,-0.4 -2,-0.2 0.897 113.2 53.2 -75.4 -40.4 20.0 28.1 30.1 158 160 A E H 3<5S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.3 46.6 -61.1 -40.3 21.0 24.6 28.8 159 161 A R T 3<5S- 0 0 145 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.287 116.0-120.3 -83.9 8.6 19.8 23.0 32.0 160 162 A N T < 5S+ 0 0 113 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.824 76.4 129.4 54.0 37.0 16.6 25.1 31.7 161 163 A E S > -G 83 0C 2 -85,-0.2 4,-1.1 -2,-0.2 3,-1.0 -0.622 39.1-115.8 -88.0 156.5 28.4 35.4 23.0 169 171 A G H >> S+ 0 0 12 -87,-2.3 4,-1.3 1,-0.3 3,-0.7 0.912 117.3 58.9 -55.3 -41.4 27.4 34.3 19.6 170 172 A S H 3> S+ 0 0 2 -88,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.799 96.9 60.6 -58.5 -31.4 30.2 31.8 19.7 171 173 A D H <> S+ 0 0 0 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.878 101.4 53.3 -65.6 -36.5 28.7 30.1 22.8 172 174 A A H << S+ 0 0 15 -4,-1.1 6,-0.3 -3,-0.7 -1,-0.2 0.885 107.3 51.7 -64.9 -40.4 25.5 29.3 20.9 173 175 A V H < S+ 0 0 86 -4,-1.3 -1,-0.2 53,-0.2 -2,-0.2 0.869 112.8 45.2 -64.3 -37.5 27.6 27.6 18.2 174 176 A A H < S+ 0 0 30 -4,-1.7 2,-0.5 52,-0.3 -1,-0.2 0.723 99.5 87.3 -79.1 -23.4 29.4 25.5 20.8 175 177 A S < - 0 0 12 -4,-1.5 3,-0.4 -5,-0.2 -4,-0.0 -0.685 52.7-170.6 -87.3 132.4 26.2 24.6 22.6 176 178 A K S S+ 0 0 191 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.673 84.6 51.8 -88.5 -17.7 24.1 21.7 21.6 177 179 A G S S+ 0 0 24 -88,-0.1 -88,-2.1 -89,-0.0 2,-0.3 0.152 98.2 57.2-112.6 22.4 21.3 22.7 23.9 178 180 A V E -H 88 0C 6 -3,-0.4 2,-0.3 -90,-0.3 -89,-0.0 -0.889 57.6-147.4-140.5 172.1 20.3 26.3 23.2 179 181 A K E -H 87 0C 65 -92,-2.1 -92,-2.0 -2,-0.3 2,-0.5 -0.992 25.8-110.8-143.5 145.7 19.2 28.5 20.4 180 182 A V E +H 86 0C 61 -2,-0.3 -94,-0.2 -94,-0.2 3,-0.1 -0.669 35.3 169.2 -78.7 125.0 19.8 32.2 19.5 181 183 A V E + 0 0 1 -96,-2.7 -85,-2.4 -2,-0.5 2,-0.3 0.445 64.9 6.7-113.8 -5.3 16.5 34.2 19.9 182 184 A A E -H 85 0C 7 -97,-1.1 -97,-2.5 -87,-0.2 2,-0.4 -0.955 58.2-144.8-169.0 158.5 17.9 37.7 19.6 183 185 A T E -H 84 0C 80 -87,-0.3 -85,-0.4 -2,-0.3 -99,-0.2 -1.000 25.4-120.5-135.3 129.6 21.1 39.6 18.9 184 186 A F - 0 0 3 -101,-2.5 -101,-0.3 -2,-0.4 2,-0.1 -0.427 36.6-106.7 -68.9 140.7 22.2 42.9 20.5 185 187 A P > - 0 0 38 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.489 27.3-120.7 -67.3 141.1 22.7 45.7 18.1 186 188 A E G > S+ 0 0 89 1,-0.3 3,-1.0 2,-0.2 -2,-0.1 0.833 109.3 59.3 -51.7 -33.9 26.4 46.5 17.6 187 189 A D G 3 S+ 0 0 120 1,-0.2 -1,-0.3 4,-0.0 4,-0.0 0.528 86.9 75.7 -76.6 -5.6 26.0 50.0 18.8 188 190 A S G < S+ 0 0 1 -3,-2.3 -55,-0.3 2,-0.1 2,-0.3 0.658 104.7 17.2 -80.6 -13.6 24.6 49.1 22.2 189 191 A H S < S- 0 0 12 -3,-1.0 3,-0.1 -4,-0.3 -63,-0.1 -0.957 93.7 -74.4-150.8 165.4 28.0 48.1 23.7 190 192 A K - 0 0 140 -2,-0.3 -60,-0.1 1,-0.1 -2,-0.1 -0.310 69.2 -87.5 -57.8 148.4 31.7 48.3 23.2 191 193 A K - 0 0 76 1,-0.1 2,-0.7 -4,-0.0 -1,-0.1 -0.322 45.7-115.3 -59.6 129.6 32.9 46.1 20.4 192 194 A V E + D 0 81A 0 -111,-0.6 -111,-1.1 -3,-0.1 2,-0.4 -0.694 48.9 172.6 -73.8 115.2 33.5 42.6 21.8 193 195 A E E - D 0 80A 49 -2,-0.7 -113,-0.2 -137,-0.3 -116,-0.0 -0.989 28.8-150.2-131.6 142.6 37.3 42.1 21.3 194 196 A Y E - D 0 79A 0 -115,-2.4 -116,-3.1 -2,-0.4 -115,-1.2 -0.890 14.4-164.7-113.4 99.6 39.7 39.4 22.4 195 197 A P E - D 0 77A 0 0, 0.0 -140,-2.1 0, 0.0 2,-0.3 -0.591 4.2-160.2 -82.1 145.9 43.3 40.6 23.0 196 198 A V E +CD 54 76A 0 -120,-2.6 -120,-2.2 -2,-0.2 2,-0.3 -0.919 16.5 164.8-121.2 146.9 46.1 38.0 23.3 197 199 A A E -C 53 0A 0 -144,-1.7 -144,-2.3 -2,-0.3 2,-0.3 -0.972 38.2-110.7-160.3 150.9 49.6 38.6 24.8 198 200 A V E -C 52 0A 0 -127,-0.5 -127,-2.9 -2,-0.3 -146,-0.3 -0.689 43.2-112.5 -81.6 139.2 52.6 36.7 26.1 199 201 A V B > -F 70 0B 9 -148,-2.7 3,-2.5 -2,-0.3 -129,-0.3 -0.502 45.1 -85.9 -74.1 140.6 53.0 36.9 29.9 200 202 A E T 3 S+ 0 0 109 -131,-2.6 -1,-0.1 1,-0.3 -130,-0.0 -0.223 115.0 13.8 -50.0 126.4 56.0 38.8 31.1 201 203 A G T 3 S+ 0 0 68 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.461 106.1 89.3 86.7 0.8 59.1 36.6 31.2 202 204 A H < + 0 0 47 -3,-2.5 2,-1.5 -151,-0.2 5,-0.2 0.152 49.0 117.6-114.4 18.4 57.5 33.8 29.2 203 205 A N + 0 0 69 -4,-0.1 2,-0.2 -5,-0.1 -2,-0.1 -0.663 38.3 133.2 -91.3 85.2 58.5 35.0 25.8 204 206 A N S > S- 0 0 78 -2,-1.5 4,-2.6 1,-0.0 5,-0.2 -0.716 72.2 -91.0-121.9 174.7 60.8 32.2 24.6 205 207 A A H > S+ 0 0 87 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.809 122.5 52.1 -59.8 -36.6 60.9 30.4 21.3 206 208 A T H > S+ 0 0 60 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.957 114.1 41.8 -65.2 -50.9 58.4 27.6 22.3 207 209 A V H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.915 113.6 54.1 -62.4 -41.6 55.7 30.1 23.5 208 210 A K H X S+ 0 0 74 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.841 102.9 57.4 -62.5 -34.8 56.4 32.3 20.5 209 211 A A H X S+ 0 0 48 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.924 111.2 42.2 -62.5 -43.4 55.8 29.3 18.1 210 212 A F H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.891 111.3 54.5 -69.5 -42.5 52.3 28.8 19.6 211 213 A Y H X S+ 0 0 11 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.917 110.6 46.9 -57.5 -44.2 51.6 32.5 19.7 212 214 A D H >< S+ 0 0 74 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.866 107.5 57.3 -66.3 -36.7 52.4 32.7 15.9 213 215 A Y H >< S+ 0 0 14 -4,-1.7 3,-2.1 1,-0.2 6,-0.6 0.900 97.9 61.4 -60.7 -41.2 50.2 29.6 15.3 214 216 A L H 3< S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.761 106.4 46.1 -56.6 -29.2 47.2 31.4 16.8 215 217 A K T << S+ 0 0 87 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.357 100.0 96.7 -93.7 1.8 47.5 34.0 14.1 216 218 A G S <> S- 0 0 15 -3,-2.1 4,-2.2 -4,-0.2 5,-0.1 -0.252 88.5-100.3 -85.8 178.5 47.9 31.4 11.3 217 219 A P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.813 116.0 56.2 -68.2 -36.3 45.4 29.7 8.9 218 220 A Q H > S+ 0 0 72 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.892 114.1 41.1 -63.6 -42.9 44.9 26.4 10.8 219 221 A A H > S+ 0 0 0 -6,-0.6 4,-2.8 2,-0.2 5,-0.2 0.915 110.9 55.7 -71.6 -43.3 43.8 28.4 13.9 220 222 A A H X S+ 0 0 29 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.884 105.9 54.5 -57.5 -35.9 41.8 30.9 11.9 221 223 A E H X S+ 0 0 117 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.915 110.6 44.3 -62.0 -46.4 39.8 27.9 10.5 222 224 A I H X S+ 0 0 3 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.924 112.7 51.4 -66.8 -42.2 39.0 26.6 14.0 223 225 A F H <>S+ 0 0 2 -4,-2.8 5,-2.1 1,-0.2 3,-0.4 0.916 111.1 48.1 -61.1 -44.0 38.1 30.0 15.3 224 226 A K H ><5S+ 0 0 152 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.889 106.2 56.7 -62.6 -43.7 35.7 30.7 12.4 225 227 A R H 3<5S+ 0 0 121 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.771 106.8 51.7 -59.2 -29.5 34.0 27.3 12.8 226 228 A Y T 3<5S- 0 0 38 -4,-1.2 -1,-0.3 -3,-0.4 -52,-0.3 0.295 124.5 -99.1 -93.3 7.6 33.2 28.2 16.4 227 229 A G T < 5S+ 0 0 29 -3,-1.7 2,-0.2 1,-0.3 -57,-0.2 0.498 77.0 133.6 92.9 4.6 31.6 31.6 15.6 228 230 A F < - 0 0 7 -5,-2.1 2,-0.4 -58,-0.1 -1,-0.3 -0.592 52.3-129.9 -85.9 149.9 34.4 34.0 16.3 229 231 A T E -E 80 0A 70 -149,-1.9 -149,-2.4 -2,-0.2 2,-0.5 -0.808 21.8-128.7 -98.1 137.6 35.2 36.8 13.8 230 232 A I E E 79 0A 74 -2,-0.4 -151,-0.2 -151,-0.2 -152,-0.1 -0.832 360.0 360.0 -89.3 124.9 39.0 37.0 12.9 231 233 A K 0 0 131 -153,-2.0 -151,-0.0 -2,-0.5 -38,-0.0 -0.595 360.0 360.0 -82.5 360.0 40.5 40.5 13.3