==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEME BINDING PROTEIN, TRANSPORT PROTEIN 22-APR-10 3MOL . COMPND 2 MOLECULE: HEME ACQUISITION PROTEIN HASAP; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.LOVELL,K.P.BATTAILE,G.JEPKORIR,J.C.RODRIGUEZ,H.RUI,W.IM, . 357 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 28.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 0 2 0 0 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 3 1 0 2 1 1 0 2 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 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 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 S 0 0 115 0, 0.0 118,-0.1 0, 0.0 154,-0.1 0.000 360.0 360.0 360.0 143.6 -32.4 -0.1 24.1 2 3 A I - 0 0 7 152,-0.3 2,-0.4 116,-0.1 115,-0.2 -0.270 360.0-158.0 -55.3 144.1 -29.5 -0.8 26.4 3 4 A S E -A 116 0A 48 113,-2.4 113,-3.3 2,-0.0 2,-0.4 -0.978 7.7-159.3-126.8 137.9 -29.4 -4.2 28.1 4 5 A I E -Ab 115 177A 0 172,-2.5 174,-1.9 -2,-0.4 2,-0.4 -0.958 11.5-165.9-126.1 138.5 -27.5 -4.8 31.3 5 6 A S E -Ab 114 178A 17 109,-2.5 109,-2.4 -2,-0.4 2,-0.4 -0.955 15.9-178.3-113.8 141.0 -26.1 -7.8 33.0 6 7 A Y E -Ab 113 179A 13 172,-2.2 174,-2.2 -2,-0.4 107,-0.2 -0.999 29.4-112.3-141.8 141.7 -24.9 -7.6 36.6 7 8 A S E > - b 0 180A 0 105,-3.1 3,-2.3 -2,-0.4 4,-0.2 -0.399 31.4-118.2 -63.4 144.8 -23.3 -10.0 39.1 8 9 A T G > S+ 0 0 71 172,-2.2 3,-1.5 1,-0.3 4,-0.3 0.806 111.6 75.2 -51.2 -32.0 -25.6 -11.0 42.0 9 10 A T G 3 S+ 0 0 65 1,-0.2 -1,-0.3 172,-0.2 3,-0.2 0.825 102.1 37.6 -49.1 -34.0 -22.8 -9.4 44.1 10 11 A Y G X S+ 0 0 16 -3,-2.3 3,-2.2 102,-0.2 158,-0.5 0.223 75.9 120.0-111.3 14.5 -24.0 -5.9 43.0 11 12 A S T < S+ 0 0 30 -3,-1.5 158,-2.2 1,-0.3 159,-0.2 0.850 81.9 42.1 -47.4 -46.1 -27.8 -6.3 43.0 12 13 A G T 3 S+ 0 0 52 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.437 96.4 99.1 -85.9 0.8 -28.4 -3.6 45.6 13 14 A W S < S- 0 0 93 -3,-2.2 155,-2.0 1,-0.1 156,-0.2 -0.579 72.9-120.3 -89.4 151.1 -25.8 -1.1 44.2 14 15 A T B > -H 167 0B 25 153,-0.3 4,-2.4 -2,-0.2 153,-0.3 -0.509 27.7-116.1 -76.8 158.0 -26.6 1.9 42.1 15 16 A V H > S+ 0 0 0 151,-1.8 4,-2.7 149,-0.4 5,-0.2 0.935 116.5 50.9 -61.3 -44.4 -24.9 1.9 38.7 16 17 A A H > S+ 0 0 12 148,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.900 110.2 48.5 -60.2 -43.9 -22.9 5.1 39.7 17 18 A D H > S+ 0 0 99 147,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.899 111.9 49.8 -65.8 -39.0 -21.7 3.5 43.0 18 19 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.948 110.3 49.5 -62.7 -46.5 -20.7 0.3 41.1 19 20 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.902 109.3 52.4 -64.3 -38.0 -18.7 2.3 38.5 20 21 A A H X S+ 0 0 59 -4,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.881 110.6 48.9 -63.9 -33.7 -17.0 4.3 41.2 21 22 A D H X S+ 0 0 35 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.923 110.6 48.0 -72.3 -48.0 -15.9 1.1 42.9 22 23 A W H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.932 114.1 49.1 -56.0 -43.9 -14.6 -0.5 39.7 23 24 A S H X S+ 0 0 25 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.899 110.8 48.5 -65.4 -41.7 -12.7 2.7 39.0 24 25 A A H X S+ 0 0 50 -4,-2.3 4,-1.5 1,-0.2 7,-0.2 0.916 113.2 48.3 -61.9 -42.7 -11.2 2.8 42.5 25 26 A Y H < S+ 0 0 0 -4,-2.6 39,-0.3 2,-0.2 -2,-0.2 0.868 106.8 56.2 -66.0 -38.4 -10.2 -0.9 42.2 26 27 A F H < S+ 0 0 15 -4,-2.6 35,-0.5 1,-0.2 -1,-0.2 0.875 112.4 44.1 -58.4 -39.5 -8.7 -0.2 38.8 27 28 A G H < S+ 0 0 55 -4,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.754 131.4 10.0 -75.6 -27.2 -6.5 2.4 40.5 28 29 A D >< - 0 0 82 -4,-1.5 3,-2.2 -5,-0.1 -1,-0.3 -0.841 53.5-148.8-161.4 117.6 -5.7 0.3 43.6 29 30 A V G > S+ 0 0 35 32,-1.1 3,-2.2 -2,-0.3 6,-0.3 0.814 98.3 70.6 -52.7 -33.7 -6.1 -3.3 44.4 30 31 A N G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -6,-0.1 -5,-0.1 0.539 75.2 79.3 -72.3 -1.2 -6.5 -2.3 48.1 31 32 A A G < S+ 0 0 41 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.689 104.9 37.3 -70.9 -17.5 -9.9 -0.7 47.3 32 33 A R S X S- 0 0 34 -3,-2.2 3,-1.7 -4,-0.2 -1,-0.3 -0.657 92.8-155.4-129.9 73.6 -11.0 -4.4 47.6 33 34 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.193 77.7 43.9 -54.3 140.2 -8.9 -5.9 50.4 34 35 A G T 3 S+ 0 0 84 1,-0.4 2,-0.2 0, 0.0 -4,-0.1 0.154 88.5 117.3 107.1 -16.5 -8.5 -9.6 50.0 35 36 A Q < - 0 0 78 -3,-1.7 -1,-0.4 -6,-0.3 2,-0.3 -0.489 50.6-150.4 -83.7 154.3 -7.8 -9.4 46.3 36 37 A V - 0 0 82 -2,-0.2 2,-0.6 -3,-0.1 27,-0.4 -0.811 12.0-134.0-114.4 161.6 -4.6 -10.5 44.6 37 38 A V + 0 0 66 -2,-0.3 25,-0.0 1,-0.1 23,-0.0 -0.922 59.1 119.9-117.2 98.4 -3.1 -9.1 41.4 38 39 A D + 0 0 122 -2,-0.6 -1,-0.1 2,-0.1 3,-0.1 0.225 27.6 137.6-149.2 23.3 -2.0 -12.1 39.3 39 40 A G - 0 0 10 1,-0.1 59,-0.1 -3,-0.1 57,-0.0 -0.334 64.7 -93.1 -69.7 148.2 -3.9 -11.9 36.1 40 41 A S - 0 0 65 57,-0.4 2,-1.5 1,-0.1 57,-0.3 -0.276 37.6-114.7 -52.1 144.3 -2.0 -12.7 32.9 41 42 A N S S+ 0 0 99 -3,-0.1 2,-0.3 191,-0.1 -1,-0.1 -0.741 70.7 129.6 -87.6 88.4 -0.6 -9.6 31.3 42 43 A T + 0 0 35 -2,-1.5 16,-0.4 191,-0.1 2,-0.2 -0.832 15.0 105.2-136.8 169.3 -2.8 -9.8 28.2 43 44 A G + 0 0 12 -2,-0.3 2,-0.3 56,-0.1 14,-0.2 -0.719 20.4 113.2 136.9 171.7 -5.0 -7.5 26.2 44 45 A G E S-C 56 0A 19 12,-2.2 12,-2.5 -2,-0.2 2,-0.3 -0.887 70.3 -23.4 128.9-160.5 -5.3 -5.5 23.0 45 46 A F E -C 55 0A 27 4,-0.4 10,-0.2 -2,-0.3 56,-0.2 -0.659 64.1-113.9 -84.9 143.5 -7.3 -5.7 19.9 46 47 A N E S-C 54 0A 21 8,-2.4 7,-2.0 -2,-0.3 8,-1.2 -0.958 106.4 -3.0-118.0 108.9 -8.9 -9.0 18.8 47 48 A P E S+C 52 0A 96 0, 0.0 -1,-0.2 0, 0.0 5,-0.2 -0.983 120.9 131.8 -89.5 -14.8 -7.7 -9.8 16.3 48 49 A G + 0 0 22 3,-2.0 -2,-0.1 6,-0.1 5,-0.0 -0.151 52.8 166.1 78.2-176.7 -5.5 -6.7 16.1 49 50 A P S S- 0 0 65 0, 0.0 -4,-0.4 0, 0.0 177,-0.1 -0.940 112.9 -18.1 -77.0 -23.6 -3.1 -5.3 15.8 50 51 A F S S+ 0 0 23 175,-0.2 24,-2.8 1,-0.1 2,-0.3 0.221 127.8 45.6-132.6 11.2 -5.1 -2.0 15.4 51 52 A D E + D 0 73A 77 22,-0.2 -3,-2.0 3,-0.0 2,-0.3 -0.977 62.2 128.8-146.7 154.3 -8.6 -3.1 14.6 52 53 A G E -CD 47 72A 10 20,-2.4 20,-2.7 -2,-0.3 3,-0.1 -0.963 63.8 -94.1 175.1 176.9 -11.0 -5.7 16.0 53 54 A S E S+ 0 0 61 -7,-2.0 17,-2.5 -2,-0.3 2,-0.3 0.555 110.4 32.8 -80.9 -13.9 -14.3 -6.9 17.3 54 55 A Q E -CD 46 69A 33 -8,-1.2 -8,-2.4 15,-0.2 2,-0.4 -0.995 56.0-168.4-138.9 148.4 -12.9 -6.4 20.8 55 56 A Y E -CD 45 68A 24 13,-2.1 13,-3.0 -2,-0.3 2,-0.4 -0.985 22.9-179.1-126.0 125.1 -10.5 -4.1 22.6 56 57 A A E +CD 44 67A 1 -12,-2.5 -12,-2.2 -2,-0.4 2,-0.3 -0.958 7.5 176.7-128.8 142.7 -9.6 -5.3 26.1 57 58 A L E - D 0 66A 5 9,-2.0 9,-2.3 -2,-0.4 2,-0.4 -0.996 12.1-157.8-147.3 140.6 -7.3 -3.9 28.8 58 59 A K E - D 0 65A 14 -16,-0.4 7,-0.2 -2,-0.3 6,-0.1 -0.939 26.6-114.9-113.2 137.9 -6.4 -4.8 32.3 59 60 A S - 0 0 5 5,-2.9 -32,-0.1 -2,-0.4 82,-0.1 -0.186 9.7-146.7 -50.8 155.1 -5.0 -2.5 35.0 60 61 A T S S+ 0 0 83 -34,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.417 97.8 59.8-104.8 -2.2 -1.5 -3.1 36.2 61 62 A A S S- 0 0 43 -35,-0.5 -32,-1.1 1,-0.2 2,-0.3 0.626 126.5 -9.9 -90.1 -18.0 -2.4 -1.9 39.7 62 63 A S S S- 0 0 0 -36,-0.2 -1,-0.2 2,-0.2 -25,-0.1 -0.919 80.0 -91.7-160.2 179.0 -5.1 -4.6 40.1 63 64 A D S S+ 0 0 1 -27,-0.4 33,-3.1 -2,-0.3 -37,-0.1 0.341 74.4 134.4 -87.6 9.5 -6.8 -7.2 38.0 64 65 A A E + E 0 95A 0 -39,-0.3 -5,-2.9 31,-0.2 2,-0.3 -0.326 33.2 169.3 -56.0 137.8 -9.6 -4.8 37.2 65 66 A A E -DE 58 94A 0 29,-2.6 29,-2.3 -7,-0.2 2,-0.3 -0.960 25.8-153.1-151.2 158.0 -10.3 -5.0 33.4 66 67 A F E -DE 57 93A 0 -9,-2.3 -9,-2.0 -2,-0.3 2,-0.4 -0.976 3.7-156.0-132.1 158.5 -12.7 -4.0 30.7 67 68 A I E -DE 56 92A 12 25,-2.3 25,-2.5 -2,-0.3 2,-0.5 -0.982 7.2-160.1-133.4 119.0 -13.7 -5.5 27.3 68 69 A A E -DE 55 91A 0 -13,-3.0 -13,-2.1 -2,-0.4 2,-0.4 -0.874 14.5-164.8 -94.9 127.8 -15.1 -3.2 24.6 69 70 A G E +DE 54 90A 11 21,-2.5 20,-2.4 -2,-0.5 21,-1.9 -0.922 40.0 69.5-117.6 141.9 -17.1 -5.1 22.0 70 71 A G E S- E 0 88A 19 -17,-2.5 2,-0.3 -2,-0.4 18,-0.2 -0.885 95.4 -45.3 163.2-128.3 -18.2 -4.0 18.5 71 72 A D E S+ E 0 87A 84 16,-2.5 16,-2.2 -2,-0.3 2,-0.3 -0.830 71.5 178.7-141.8 93.0 -16.4 -3.1 15.3 72 73 A L E -DE 52 86A 0 -20,-2.7 -20,-2.4 -2,-0.3 2,-0.3 -0.728 17.3-174.3-115.3 152.2 -13.5 -1.0 16.4 73 74 A H E -DE 51 85A 38 12,-2.3 12,-2.6 -2,-0.3 2,-0.4 -0.999 10.0-158.4-146.4 135.0 -10.6 0.7 14.7 74 75 A Y E - E 0 84A 65 -24,-2.8 10,-0.2 -2,-0.3 7,-0.1 -0.985 4.3-160.7-119.8 129.3 -7.5 2.7 16.0 75 76 A T > - 0 0 11 8,-2.1 3,-2.4 -2,-0.4 2,-0.1 0.637 16.5-177.8 -82.9 -15.0 -5.8 5.1 13.7 76 77 A L T 3 S- 0 0 15 1,-0.3 6,-2.8 7,-0.2 -1,-0.2 -0.314 77.2 -8.0 45.1-113.5 -2.4 5.3 15.5 77 78 A F T 3 S+ 0 0 82 4,-0.2 -1,-0.3 -2,-0.1 4,-0.2 0.570 114.6 99.8 -90.5 -6.4 -0.4 7.9 13.4 78 79 A S S < S- 0 0 42 -3,-2.4 5,-0.2 2,-0.2 4,-0.2 -0.488 87.0 -56.1 -73.4 150.5 -2.9 8.1 10.5 79 80 A N S S+ 0 0 147 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.505 132.4 35.6 -75.1 135.8 -5.3 11.1 10.5 80 81 A P S > S- 0 0 44 0, 0.0 3,-0.6 0, 0.0 -5,-0.2 0.396 106.0-140.0 -76.8 127.5 -7.1 11.8 12.7 81 82 A S T 3 S+ 0 0 37 1,-0.2 -4,-0.2 -4,-0.2 47,-0.2 -0.126 70.8 7.2 -65.0 146.9 -4.2 10.5 14.8 82 83 A H T 3 S+ 0 0 57 -6,-2.8 2,-0.5 1,-0.2 -1,-0.2 0.854 88.7 147.0 55.9 45.7 -4.7 8.4 17.9 83 84 A T < - 0 0 0 -3,-0.6 -8,-2.1 -5,-0.2 2,-0.6 -0.953 38.3-157.6-112.8 127.7 -8.5 8.0 17.4 84 85 A L E +E 74 0A 11 -2,-0.5 2,-0.2 -10,-0.2 -10,-0.2 -0.932 34.0 157.7 -96.1 123.5 -10.4 4.9 18.4 85 86 A W E +E 73 0A 65 -12,-2.6 -12,-2.3 -2,-0.6 2,-0.3 -0.806 13.3 73.3-140.8 173.1 -13.6 4.8 16.3 86 87 A G E S-EF 72 122A 4 36,-2.2 36,-2.7 -2,-0.2 2,-0.5 -0.846 83.3 -20.5 122.2-155.5 -16.3 2.5 15.0 87 88 A K E -EF 71 121A 63 -16,-2.2 -16,-2.5 -2,-0.3 2,-0.6 -0.818 47.0-165.3 -98.1 128.8 -19.2 0.7 16.6 88 89 A L E +EF 70 120A 0 32,-2.5 32,-1.8 -2,-0.5 -18,-0.3 -0.951 18.7 162.3-116.2 103.9 -19.3 0.1 20.3 89 90 A D E + 0 0 68 -20,-2.4 29,-2.4 -2,-0.6 28,-0.3 0.723 62.5 14.3 -89.9 -29.9 -22.0 -2.5 21.2 90 91 A S E -E 69 0A 30 -21,-1.9 -21,-2.5 26,-0.2 2,-0.4 -0.999 44.8-162.9-151.8 150.0 -20.8 -3.4 24.7 91 92 A I E -EG 68 115A 0 24,-2.3 24,-2.9 -2,-0.3 2,-0.4 -0.977 17.7-171.1-129.1 120.6 -18.7 -2.6 27.6 92 93 A A E -EG 67 114A 8 -25,-2.5 -25,-2.3 -2,-0.4 2,-0.4 -0.943 3.5-166.2-114.1 131.1 -18.0 -5.4 30.1 93 94 A L E +EG 66 113A 0 20,-3.1 19,-2.2 -2,-0.4 20,-1.8 -0.938 31.0 100.4-117.1 140.2 -16.3 -4.6 33.4 94 95 A G E -EG 65 111A 0 -29,-2.3 -29,-2.6 -2,-0.4 2,-0.4 -0.872 63.1 -50.6-179.4-148.5 -14.8 -7.1 35.9 95 96 A D E S+EG 64 110A 9 15,-2.3 15,-2.1 -2,-0.3 14,-0.6 -0.987 88.1 1.1-127.6 127.9 -11.7 -8.8 37.2 96 97 A T E - 0 0 17 -33,-3.1 13,-2.6 -2,-0.4 2,-0.4 0.835 63.8-123.7 72.9 120.7 -8.9 -10.6 35.2 97 98 A L E + G 0 108A 0 -57,-0.3 -57,-0.4 11,-0.2 2,-0.3 -0.741 31.1 173.3 -86.9 141.7 -8.7 -11.0 31.4 98 99 A T E + G 0 107A 57 9,-2.7 9,-2.4 -2,-0.4 5,-0.1 -0.879 40.8 19.3-131.4 168.0 -8.4 -14.4 29.8 99 100 A G E - G 0 106A 33 -2,-0.3 7,-0.3 7,-0.2 2,-0.3 -0.309 50.2-169.7 80.4-153.3 -8.4 -15.5 26.3 100 101 A G E > > - G 0 105A 6 5,-1.2 5,-2.8 1,-0.1 3,-1.8 -0.894 57.8 -44.2 141.3-175.0 -7.8 -13.7 23.0 101 102 A A G > 5S+ 0 0 63 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.868 130.3 59.6 -56.5 -39.5 -8.3 -14.5 19.3 102 103 A S G 3 5S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.554 111.7 38.3 -71.9 -7.8 -6.8 -17.9 19.7 103 104 A S G < 5S- 0 0 80 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.168 129.6 -78.6-128.8 19.4 -9.4 -19.1 22.2 104 105 A G T < 5S- 0 0 79 -3,-1.2 -3,-0.2 -4,-0.2 2,-0.1 0.507 90.3 -48.3 100.8 5.9 -12.6 -17.5 21.0 105 106 A G E - 0 0 58 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.427 22.8-116.4 -76.8 157.1 -17.4 8.0 12.6 124 125 A I G > S+ 0 0 65 1,-0.3 3,-2.1 2,-0.2 6,-0.1 0.829 109.6 71.8 -60.3 -30.2 -13.8 8.5 11.9 125 126 A A G 3 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.752 89.0 61.4 -62.1 -24.7 -14.5 12.1 11.0 126 127 A Q G X S- 0 0 91 -3,-1.7 3,-1.9 1,-0.2 -1,-0.3 0.621 85.6-173.2 -77.2 -11.9 -15.2 13.0 14.6 127 128 A G G X - 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0 0 55 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.412 24.1-113.9 -81.7 160.5 16.1 1.8 34.3 305 125 B I G > S+ 0 0 62 1,-0.3 3,-2.2 2,-0.2 6,-0.1 0.863 110.6 70.1 -60.3 -32.8 12.5 2.8 34.9 306 126 B A G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.732 89.2 61.9 -59.4 -27.0 13.7 5.7 37.2 307 127 B Q G X S- 0 0 95 -3,-1.4 3,-1.8 1,-0.2 -1,-0.3 0.630 86.0-173.9 -74.5 -14.0 15.2 7.6 34.2 308 128 B G G X - 0 0 6 -3,-2.2 3,-2.1 -4,-0.3 6,-0.3 -0.154 63.8 -13.4 54.7-144.9 11.8 7.9 32.6 309 129 B R G 3 S+ 0 0 125 1,-0.3 -1,-0.3 -44,-0.2 -2,-0.1 0.561 130.5 70.8 -71.2 -4.9 11.7 9.4 29.2 310 130 B D G < S+ 0 0 119 -3,-1.8 -1,-0.3 4,-0.1 -2,-0.2 0.544 74.0 114.0 -82.8 -9.9 15.3 10.6 29.6 311 131 B G S <> S- 0 0 1 -3,-2.1 4,-2.3 -4,-0.2 5,-0.2 -0.317 74.4-128.3 -58.8 145.2 16.4 7.0 29.4 312 132 B T H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 108.4 55.4 -62.8 -39.9 18.5 6.1 26.3 313 133 B V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.934 108.8 47.2 -58.9 -48.2 16.3 3.2 25.4 314 134 B H H > S+ 0 0 15 -6,-0.3 4,-3.0 1,-0.2 5,-0.4 0.938 112.5 49.6 -57.9 -49.0 13.3 5.4 25.4 315 135 B K H X S+ 0 0 105 -4,-2.3 4,-1.7 1,-0.2 12,-0.3 0.903 112.5 47.2 -61.2 -40.8 15.0 8.0 23.3 316 136 B V H X S+ 0 0 1 -4,-2.6 4,-1.8 11,-0.2 12,-0.3 0.970 119.9 36.3 -65.6 -51.4 16.2 5.5 20.7 317 137 B V H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.900 116.4 51.5 -74.8 -43.6 13.0 3.7 20.3 318 138 B Y H X S+ 0 0 151 -4,-3.0 4,-0.6 -5,-0.3 3,-0.5 0.916 109.1 53.0 -58.4 -41.4 10.6 6.6 20.6 319 139 B G H ><>S+ 0 0 11 -4,-1.7 5,-2.6 -5,-0.4 3,-1.7 0.944 106.4 52.2 -59.4 -45.1 12.6 8.5 18.0 320 140 B L H ><5S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.743 92.8 73.8 -67.1 -23.3 12.3 5.6 15.5 321 141 B M H 3<5S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.770 108.6 33.2 -62.1 -24.3 8.6 5.5 15.9 322 142 B S T <<5S- 0 0 83 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.159 126.4 -98.4-111.5 15.7 8.5 8.7 13.8 323 143 B G T < 5S+ 0 0 6 -3,-1.5 2,-0.9 1,-0.2 -3,-0.3 0.610 76.6 142.7 83.3 12.6 11.5 7.8 11.7 324 144 B D < + 0 0 78 -5,-2.6 3,-0.3 -6,-0.2 4,-0.3 -0.789 20.4 173.6 -90.4 104.8 14.0 9.8 13.7 325 145 B S > + 0 0 10 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.285 48.3 103.4 -94.8 10.2 17.2 7.8 13.8 326 146 B S H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 81.7 46.3 -61.8 -45.7 19.3 10.5 15.5 327 147 B A H > S+ 0 0 28 -3,-0.3 4,-1.7 -12,-0.3 -1,-0.2 0.939 114.2 49.1 -63.6 -46.1 19.3 8.9 19.0 328 148 B L H > S+ 0 0 2 -12,-0.3 4,-2.5 -4,-0.3 3,-0.2 0.937 109.2 53.5 -53.3 -47.9 20.1 5.5 17.5 329 149 B Q H X S+ 0 0 51 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.896 106.1 51.8 -59.7 -42.1 23.0 7.0 15.4 330 150 B G H X S+ 0 0 40 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.857 110.6 48.3 -64.2 -36.1 24.6 8.6 18.5 331 151 B Q H X S+ 0 0 59 -4,-1.7 4,-2.2 -3,-0.2 -2,-0.2 0.903 110.6 50.6 -71.4 -39.6 24.6 5.3 20.3 332 152 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.915 108.4 53.4 -62.1 -42.5 26.0 3.4 17.3 333 153 B D H X S+ 0 0 32 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.935 109.2 47.8 -59.2 -46.8 28.8 6.0 17.1 334 154 B A H X S+ 0 0 54 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.905 112.1 49.7 -60.4 -45.8 29.8 5.6 20.7 335 155 B L H X S+ 0 0 38 -4,-2.2 4,-0.8 1,-0.2 -149,-0.2 0.879 110.2 50.6 -63.0 -35.3 29.8 1.8 20.4 336 156 B L H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-1.0 0.928 108.7 50.9 -68.8 -44.5 32.0 1.9 17.3 337 157 B K H 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.781 101.8 62.8 -64.6 -23.2 34.5 4.1 19.0 338 158 B A H 3< S+ 0 0 86 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.740 104.8 46.9 -74.2 -24.0 34.6 1.7 21.9 339 159 B V H << S- 0 0 59 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.935 141.9 -21.9 -75.6 -51.3 36.0 -0.9 19.5 340 160 B D >< - 0 0 71 -4,-2.1 3,-2.3 -5,-0.1 -1,-0.3 -0.922 55.7-129.0-159.5 135.4 38.4 1.6 18.1 341 161 B P T 3 S+ 0 0 103 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.687 105.3 65.6 -59.6 -20.3 38.5 5.4 18.1 342 162 B S T 3 S+ 0 0 95 -6,-0.1 2,-0.3 -5,-0.1 -5,-0.1 0.578 88.7 83.4 -77.9 -9.3 39.1 5.4 14.3 343 163 B L < + 0 0 14 -3,-2.3 2,-0.3 -7,-0.3 -3,-0.1 -0.692 55.3 146.0 -93.4 151.5 35.7 3.9 13.7 344 164 B S > - 0 0 20 -2,-0.3 3,-1.9 -8,-0.1 -145,-0.3 -0.957 65.0 -79.9-165.3 177.1 32.6 6.0 13.5 345 165 B I T 3 S+ 0 0 18 -2,-0.3 -145,-2.8 1,-0.3 -144,-0.3 0.564 125.1 62.9 -67.9 -7.3 29.2 6.5 11.9 346 166 B N T 3 S+ 0 0 111 -147,-0.2 -1,-0.3 -148,-0.2 2,-0.2 0.408 82.1 101.6 -96.3 0.7 31.1 8.0 9.0 347 167 B S S < S- 0 0 8 -3,-1.9 -148,-1.8 1,-0.1 -147,-0.2 -0.540 78.6-118.5 -71.3 147.0 32.8 4.7 8.4 348 168 B T B > -P 198 0D 24 -150,-0.2 4,-2.4 -2,-0.2 -150,-0.3 -0.490 21.7-112.1 -81.0 163.1 31.4 2.6 5.5 349 169 B F H > S+ 0 0 0 -152,-1.8 4,-2.3 -155,-0.6 9,-0.2 0.899 120.4 54.1 -62.3 -38.2 29.9 -0.8 6.2 350 170 B D H > S+ 0 0 77 -155,-2.1 4,-2.2 -153,-0.2 -1,-0.2 0.913 107.6 50.0 -61.9 -41.8 32.8 -2.3 4.2 351 171 B Q H > S+ 0 0 110 -156,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.918 110.7 49.8 -62.7 -39.7 35.3 -0.5 6.5 352 172 B L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 6,-1.3 0.864 108.4 53.0 -68.4 -32.5 33.4 -1.8 9.6 353 173 B A H ><5S+ 0 0 33 -4,-2.3 3,-1.6 4,-0.3 -1,-0.2 0.919 107.4 51.5 -64.0 -42.6 33.5 -5.3 8.1 354 174 B A H 3<5S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.843 107.2 54.0 -62.8 -31.9 37.3 -4.9 7.8 355 175 B A T 3<5S- 0 0 43 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.437 119.5-112.7 -82.8 -1.1 37.4 -3.9 11.4 356 176 B G T < 5S+ 0 0 58 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.615 94.8 98.0 83.6 13.7 35.6 -7.1 12.4 357 177 B V S