==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE,LYASE/DNA 26-NOV-09 3KTU . COMPND 2 MOLECULE: N-GLYCOSYLASE/DNA LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.L.VERDINE,S.M.LEE . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 1 0.3 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 1 0 2 1 1 1 3 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A S 0 0 105 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.9 28.6 -13.6 36.5 2 10 A E + 0 0 152 4,-0.0 2,-0.3 73,-0.0 4,-0.1 0.588 360.0 65.4 -79.4 -11.3 25.0 -13.5 37.7 3 11 A F S S+ 0 0 159 2,-0.1 160,-0.1 160,-0.1 2,-0.0 -0.739 80.7 21.6-118.1 163.6 25.6 -10.6 40.1 4 12 A G S S- 0 0 12 -2,-0.3 2,-0.2 158,-0.2 158,-0.0 -0.159 102.1 -32.0 79.8-178.7 26.6 -6.9 40.0 5 13 A H S S- 0 0 18 158,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.540 71.0-121.6 -73.3 138.2 26.2 -4.5 37.1 6 14 A R - 0 0 33 -2,-0.2 2,-0.3 -4,-0.1 37,-0.1 -0.340 21.4-160.8 -78.6 160.0 26.5 -6.2 33.7 7 15 A T > - 0 0 35 1,-0.1 4,-1.6 -2,-0.1 8,-0.0 -0.907 31.3-113.7-132.9 159.9 29.1 -5.2 31.1 8 16 A L T 4 S+ 0 0 53 -2,-0.3 7,-0.1 1,-0.2 6,-0.1 0.918 114.9 48.7 -61.9 -43.5 28.9 -6.1 27.4 9 17 A A T 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.940 112.5 44.7 -62.4 -51.3 32.0 -8.4 27.6 10 18 A S T 4 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.761 122.3 31.3 -69.8 -29.8 30.9 -10.4 30.7 11 19 A T >< + 0 0 16 -4,-1.6 3,-2.4 1,-0.1 4,-0.3 -0.336 68.9 166.0-130.0 56.8 27.3 -11.2 29.9 12 20 A P G > S+ 0 0 90 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.776 72.6 51.1 -34.2 -57.3 27.2 -11.4 26.0 13 21 A A G 3 S+ 0 0 65 1,-0.2 64,-0.3 64,-0.0 -5,-0.0 0.544 99.5 65.4 -69.6 -7.5 23.7 -13.0 25.6 14 22 A L G < S+ 0 0 35 -3,-2.4 55,-0.4 -6,-0.1 2,-0.3 0.455 88.2 81.2 -95.6 0.6 21.9 -10.5 27.9 15 23 A W < - 0 0 13 -3,-1.3 2,-0.3 -4,-0.3 53,-0.2 -0.797 52.8-171.9-108.5 150.2 22.4 -7.5 25.6 16 24 A A E -A 67 0A 17 51,-2.3 51,-3.0 -2,-0.3 2,-0.3 -0.954 17.7-136.9-132.9 150.0 20.5 -6.4 22.5 17 25 A S E -A 66 0A 52 -2,-0.3 49,-0.2 49,-0.2 43,-0.1 -0.708 8.6-152.6-114.9 164.9 21.5 -3.5 20.3 18 26 A I E -A 65 0A 6 47,-1.1 47,-1.9 -2,-0.3 2,-0.1 -0.998 35.6-111.2-131.5 123.8 19.9 -0.6 18.5 19 27 A P E +A 64 0A 105 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.392 62.1 139.2 -57.2 123.1 21.5 0.7 15.3 20 28 A C - 0 0 6 43,-2.6 41,-0.2 -2,-0.1 2,-0.1 -0.691 42.8-140.5-171.5 109.0 22.8 4.1 16.3 21 29 A P >> - 0 0 36 0, 0.0 3,-2.7 0, 0.0 4,-0.7 -0.455 28.0-115.1 -75.4 150.0 26.1 5.6 15.3 22 30 A R T 34 S+ 0 0 82 40,-2.0 3,-0.4 1,-0.3 41,-0.1 0.741 115.0 68.6 -55.0 -22.6 28.1 7.6 17.8 23 31 A S T 34 S+ 0 0 47 39,-0.3 96,-0.9 1,-0.2 -1,-0.3 0.692 102.5 44.5 -71.1 -17.3 27.5 10.7 15.6 24 32 A E T <4 S+ 0 0 25 -3,-2.7 2,-0.2 1,-0.3 -1,-0.2 0.562 128.4 14.3 -99.8 -11.4 23.8 10.5 16.5 25 33 A L < - 0 0 0 -4,-0.7 2,-0.6 -3,-0.4 -1,-0.3 -0.821 49.7-171.1-169.4 125.1 24.3 9.9 20.3 26 34 A R >> - 0 0 41 93,-2.3 3,-1.8 -2,-0.2 4,-1.2 -0.930 10.3-164.1-118.6 102.3 27.2 10.2 22.8 27 35 A L H >> S+ 0 0 2 -2,-0.6 4,-2.6 1,-0.3 3,-0.9 0.903 90.2 55.3 -51.1 -46.3 26.1 8.7 26.1 28 36 A D H 34 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.2 13,-0.0 0.624 111.7 44.0 -65.7 -14.1 29.0 10.4 27.9 29 37 A L H <4 S+ 0 0 7 -3,-1.8 -1,-0.3 90,-0.2 -2,-0.2 0.548 122.8 34.9-105.7 -12.2 27.8 13.8 26.6 30 38 A V H X< S+ 0 0 0 -4,-1.2 3,-0.8 -3,-0.9 5,-0.5 0.826 111.5 52.9-105.1 -50.6 24.1 13.4 27.3 31 39 A L T 3< S+ 0 0 2 -4,-2.6 8,-0.4 1,-0.2 3,-0.3 0.802 117.3 31.4 -62.3 -39.3 23.7 11.3 30.5 32 40 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.293 94.9 98.8-104.6 14.8 25.9 13.3 33.0 33 41 A S S < S- 0 0 5 -3,-0.8 -2,-0.1 1,-0.1 4,-0.1 0.249 103.3 -91.8 -85.8 10.5 25.2 16.7 31.4 34 42 A G S S+ 0 0 12 2,-0.6 3,-0.1 -3,-0.3 -3,-0.1 0.717 102.9 99.4 90.5 16.9 22.5 18.0 33.6 35 43 A Q S S+ 0 0 13 1,-0.5 2,-0.3 -5,-0.5 -4,-0.1 0.831 98.1 10.1 -94.4 -59.1 19.4 16.8 31.6 36 44 A S - 0 0 3 -6,-0.4 -2,-0.6 -5,-0.2 -1,-0.5 -0.886 63.1-160.4-116.3 149.4 18.7 13.8 33.8 37 45 A F S S+ 0 0 9 -2,-0.3 113,-0.1 -3,-0.1 112,-0.1 0.227 73.5 80.6-115.2 16.4 20.5 13.3 37.2 38 46 A R + 0 0 30 12,-0.1 2,-0.4 -7,-0.1 12,-0.4 0.117 65.0 94.5-113.0 22.0 19.8 9.5 37.5 39 47 A W - 0 0 13 -8,-0.4 2,-0.4 -3,-0.2 10,-0.2 -0.941 47.9-173.1-115.8 135.6 22.4 7.8 35.4 40 48 A R E -B 48 0A 111 8,-2.6 8,-3.0 -2,-0.4 2,-1.7 -0.990 27.9-134.4-132.9 137.9 25.8 6.5 36.6 41 49 A E E +B 47 0A 99 -2,-0.4 6,-0.2 6,-0.3 4,-0.1 -0.635 33.7 168.0 -86.5 79.7 28.8 5.1 34.9 42 50 A Q E S+ 0 0 79 -2,-1.7 -1,-0.2 4,-0.5 5,-0.1 0.792 72.3 25.9 -65.2 -31.3 29.3 2.2 37.2 43 51 A S E > S-B 46 0A 27 3,-1.2 3,-2.9 -3,-0.2 -1,-0.1 -0.956 112.8 -78.6-128.8 147.9 31.8 0.6 34.8 44 52 A P T 3 S- 0 0 114 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.239 118.6 -0.0 -51.2 129.1 33.8 2.5 32.3 45 53 A A T 3 S+ 0 0 52 1,-0.1 2,-0.6 -4,-0.1 15,-0.4 0.472 110.2 108.9 70.2 3.5 31.6 3.3 29.3 46 54 A H E < -B 43 0A 24 -3,-2.9 -3,-1.2 13,-0.1 -4,-0.5 -0.945 50.3-166.1-115.6 117.4 28.6 1.6 31.0 47 55 A W E -BC 41 58A 18 11,-2.8 11,-2.7 -2,-0.6 2,-0.3 -0.867 3.2-168.7-107.7 134.1 25.7 3.8 32.3 48 56 A S E +BC 40 57A 1 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.3 -0.910 24.7 113.9-122.3 147.4 23.0 2.6 34.6 49 57 A G E - C 0 56A 1 7,-1.6 7,-2.5 -2,-0.3 2,-0.4 -0.968 61.8 -61.8 177.3-174.9 19.7 4.1 35.8 50 58 A V E + C 0 55A 20 -12,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.799 45.3 171.3 -97.4 133.6 16.0 3.8 35.7 51 59 A L E > S- C 0 54A 7 3,-3.2 3,-0.7 -2,-0.4 35,-0.1 -0.968 70.3 -8.3-144.4 121.4 14.2 4.0 32.3 52 60 A A T 3 S- 0 0 61 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.947 130.4 -52.8 54.8 53.1 10.5 3.3 31.8 53 61 A D T 3 S+ 0 0 143 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.631 122.6 87.8 58.7 22.0 10.1 1.9 35.4 54 62 A Q E < S-C 51 0A 50 -3,-0.7 -3,-3.2 106,-0.1 2,-0.3 -0.953 79.2-105.6-142.4 161.5 13.0 -0.5 35.1 55 63 A V E +CD 50 70A 1 15,-1.0 15,-2.3 -2,-0.3 2,-0.3 -0.708 41.1 175.6 -90.1 139.2 16.8 -0.6 35.6 56 64 A W E -CD 49 69A 1 -7,-2.5 -7,-1.6 -2,-0.3 2,-0.4 -0.917 25.1-149.2-137.5 163.2 19.0 -0.6 32.6 57 65 A T E -CD 48 68A 0 11,-1.6 11,-1.6 -2,-0.3 2,-0.4 -0.993 21.9-168.3-132.6 133.4 22.7 -0.5 31.7 58 66 A L E +CD 47 67A 0 -11,-2.7 -11,-2.8 -2,-0.4 2,-0.3 -0.966 13.4 161.5-128.7 143.4 23.6 1.2 28.4 59 67 A T E - D 0 66A 8 7,-2.3 7,-2.9 -2,-0.4 2,-0.3 -0.980 20.2-140.5-154.7 154.5 26.9 1.2 26.4 60 68 A Q E - D 0 65A 36 -15,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.922 10.9-165.1-130.9 152.8 27.9 2.0 22.8 61 69 A T - 0 0 59 3,-2.4 -39,-0.1 -2,-0.3 -41,-0.1 -0.597 57.3 -81.4-111.3 177.8 30.2 0.8 20.1 62 70 A E S S+ 0 0 119 -2,-0.2 -40,-2.0 1,-0.2 -39,-0.3 0.817 127.6 16.9 -55.5 -32.3 30.9 3.0 17.0 63 71 A E S S+ 0 0 108 -42,-0.2 -43,-2.6 -41,-0.1 2,-0.3 0.555 119.2 60.4-118.5 -9.3 27.7 1.9 15.3 64 72 A Q E -A 19 0A 57 -45,-0.2 -3,-2.4 -47,-0.0 2,-0.6 -0.878 57.8-145.2-126.9 155.7 25.5 0.3 18.0 65 73 A L E -AD 18 60A 0 -47,-1.9 -47,-1.1 -2,-0.3 2,-0.4 -0.946 27.8-153.5-114.1 105.0 23.8 1.2 21.3 66 74 A H E -AD 17 59A 30 -7,-2.9 -7,-2.3 -2,-0.6 2,-0.3 -0.675 15.2-175.2 -86.2 133.6 23.9 -1.9 23.5 67 75 A C E -AD 16 58A 0 -51,-3.0 -51,-2.3 -2,-0.4 2,-0.3 -0.948 13.1-179.0-130.6 149.0 21.2 -2.3 26.1 68 76 A T E - D 0 57A 0 -11,-1.6 -11,-1.6 -2,-0.3 2,-0.3 -0.985 13.5-150.7-142.8 147.2 20.4 -4.7 28.9 69 77 A V E - D 0 56A 1 -55,-0.4 2,-0.6 7,-0.4 7,-0.3 -0.931 8.0-154.6-123.9 147.8 17.5 -4.8 31.4 70 78 A Y E D 0 55A 15 -15,-2.3 -15,-1.0 -2,-0.3 91,-0.2 -0.953 360.0 360.0-120.1 107.1 17.1 -6.0 34.9 71 79 A R 0 0 94 -2,-0.6 -1,-0.1 2,-0.1 3,-0.1 0.897 360.0 360.0 -90.5 360.0 13.5 -6.9 35.6 72 ! 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 73 83 A S 0 0 137 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.5 11.8 -13.9 36.2 74 84 A Q - 0 0 179 1,-0.1 2,-0.1 -3,-0.1 -3,-0.1 -0.250 360.0-101.5 -57.1 139.2 14.8 -15.5 34.5 75 85 A A + 0 0 52 -4,-0.0 2,-0.3 -5,-0.0 -1,-0.1 -0.401 56.5 153.9 -66.0 135.2 17.3 -13.0 33.1 76 86 A S - 0 0 49 -7,-0.3 -7,-0.4 -2,-0.1 -62,-0.1 -0.967 44.3 -72.0-155.9 169.6 17.1 -12.4 29.4 77 87 A R - 0 0 139 -64,-0.3 -62,-0.2 -2,-0.3 -9,-0.1 -0.152 61.3 -89.9 -60.9 155.7 17.8 -10.0 26.5 78 88 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 -0.415 45.7-123.8 -67.7 147.9 15.7 -6.8 26.2 79 89 A T > - 0 0 60 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.468 24.3-103.0 -88.6 165.2 12.6 -7.4 24.0 80 90 A P H > S+ 0 0 102 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.845 121.9 47.8 -55.2 -36.6 11.8 -5.4 20.8 81 91 A D H > S+ 0 0 134 2,-0.2 4,-0.9 1,-0.2 0, 0.0 0.887 111.9 46.8 -73.4 -41.6 9.1 -3.4 22.7 82 92 A E H >> S+ 0 0 33 1,-0.2 3,-1.0 2,-0.2 4,-1.0 0.922 110.7 55.2 -64.2 -42.2 11.3 -2.6 25.8 83 93 A L H 3X S+ 0 0 24 -4,-2.8 4,-1.9 1,-0.3 3,-0.3 0.817 100.5 58.7 -59.1 -33.3 14.0 -1.6 23.3 84 94 A E H 3X S+ 0 0 89 -4,-1.1 4,-2.4 1,-0.2 -1,-0.3 0.804 96.5 62.2 -67.4 -28.2 11.5 0.8 21.8 85 95 A A H S+ 0 0 63 -4,-1.9 5,-2.3 1,-0.2 6,-0.3 0.887 112.3 46.8 -56.4 -39.5 14.5 4.7 21.3 88 98 A K H ><5S+ 0 0 121 -4,-2.4 3,-1.2 3,-0.2 -1,-0.2 0.902 107.6 55.7 -70.1 -40.9 11.7 6.9 22.6 89 99 A Y H 3<5S+ 0 0 29 -4,-2.0 35,-3.0 1,-0.3 -2,-0.2 0.870 116.1 37.5 -60.1 -37.0 13.7 8.1 25.6 90 100 A F T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 33,-0.2 -2,-0.2 0.306 105.3-130.2 -96.6 7.0 16.5 9.2 23.3 91 101 A Q T X 5 + 0 0 33 -3,-1.2 3,-2.1 -5,-0.2 -3,-0.2 0.880 38.0 175.9 43.5 49.1 14.1 10.5 20.6 92 102 A L T 3 < + 0 0 21 -5,-2.3 -1,-0.1 1,-0.3 4,-0.1 0.580 65.8 71.6 -60.7 -14.2 16.1 8.5 18.1 93 103 A D T 3 S+ 0 0 132 -6,-0.3 2,-0.7 2,-0.1 -1,-0.3 0.705 80.4 86.7 -75.7 -18.2 13.6 9.4 15.2 94 104 A V S < S- 0 0 32 -3,-2.1 2,-0.8 -4,-0.1 -1,-0.0 -0.744 83.6-136.0 -82.9 115.9 15.0 12.9 15.4 95 105 A T > - 0 0 67 -2,-0.7 4,-1.6 1,-0.2 3,-0.5 -0.635 15.4-166.3 -79.1 111.7 18.1 13.0 13.1 96 106 A L H > S+ 0 0 1 -2,-0.8 4,-2.9 1,-0.2 5,-0.3 0.841 86.0 61.5 -65.5 -34.6 20.9 14.9 14.8 97 107 A A H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 105.4 49.0 -60.7 -35.7 22.9 15.1 11.6 98 108 A Q H > S+ 0 0 130 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.920 112.8 46.4 -69.1 -45.7 20.1 17.1 10.0 99 109 A L H X S+ 0 0 22 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.951 112.5 49.1 -62.0 -50.6 19.8 19.5 13.0 100 110 A Y H X S+ 0 0 21 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.883 109.9 53.2 -56.2 -41.6 23.6 20.1 13.3 101 111 A H H X S+ 0 0 128 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.959 112.7 43.3 -59.2 -52.3 23.7 20.8 9.6 102 112 A H H X S+ 0 0 84 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.929 115.5 46.8 -61.0 -48.5 21.0 23.4 9.8 103 113 A W H X S+ 0 0 1 -4,-2.9 4,-1.5 1,-0.2 8,-0.2 0.936 112.8 50.7 -60.9 -45.0 22.3 25.1 13.0 104 114 A G H < S+ 0 0 6 -4,-2.8 7,-0.3 -5,-0.3 -1,-0.2 0.840 107.0 56.0 -61.1 -31.9 25.8 25.2 11.5 105 115 A S H < S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 115.3 34.8 -69.0 -39.6 24.4 26.8 8.4 106 116 A V H < S+ 0 0 69 -4,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.554 123.4 45.6 -91.5 -8.3 22.8 29.7 10.1 107 117 A D X - 0 0 10 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 -0.837 57.4-168.8-143.4 102.9 25.5 30.0 12.8 108 118 A S H > S+ 0 0 87 -2,-0.4 4,-1.6 1,-0.2 5,-0.1 0.797 91.4 55.1 -58.1 -33.0 29.2 29.9 12.1 109 119 A H H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.925 105.6 51.3 -69.0 -42.2 30.1 29.7 15.8 110 120 A F H > S+ 0 0 0 1,-0.2 4,-3.2 -3,-0.2 5,-0.2 0.926 106.5 57.2 -58.3 -43.0 27.9 26.6 16.2 111 121 A Q H X S+ 0 0 121 -4,-1.9 4,-1.0 -7,-0.3 -1,-0.2 0.889 107.2 46.3 -54.9 -44.6 29.6 25.1 13.2 112 122 A E H < S+ 0 0 152 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.872 118.8 40.6 -67.7 -38.3 33.1 25.4 14.9 113 123 A V H >X S+ 0 0 37 -4,-2.0 4,-0.9 1,-0.2 3,-0.8 0.829 106.9 61.6 -79.6 -33.5 32.0 24.0 18.2 114 124 A A H 3< S+ 0 0 9 -4,-3.2 3,-0.3 -5,-0.2 -1,-0.2 0.797 87.5 76.4 -63.3 -29.3 29.7 21.2 16.8 115 125 A Q T 3< S+ 0 0 80 -4,-1.0 3,-0.3 1,-0.2 -1,-0.2 0.893 105.9 30.5 -48.2 -47.6 32.8 19.7 15.1 116 126 A K T <4 S+ 0 0 70 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 0.603 117.6 56.7 -91.9 -13.1 34.0 18.2 18.4 117 127 A F < + 0 0 49 -4,-0.9 3,-0.5 -3,-0.3 -1,-0.2 -0.488 66.7 154.9-122.3 66.4 30.7 17.7 20.2 118 128 A Q + 0 0 92 -3,-0.3 -94,-0.1 -2,-0.3 3,-0.1 -0.430 53.8 43.4 -83.7 161.7 28.6 15.4 18.1 119 129 A G + 0 0 0 -96,-0.9 -93,-2.3 1,-0.2 2,-0.7 0.652 69.5 141.0 79.1 17.0 25.8 13.3 19.5 120 130 A V + 0 0 0 -3,-0.5 2,-0.3 -95,-0.2 -1,-0.2 -0.843 22.3 146.4 -95.9 116.5 24.3 15.8 21.9 121 131 A R - 0 0 0 -2,-0.7 2,-0.4 -95,-0.1 -30,-0.1 -0.830 46.5 -91.1-138.6 176.2 20.6 15.5 21.9 122 132 A L - 0 0 2 -2,-0.3 2,-0.2 -31,-0.1 181,-0.1 -0.775 28.9-132.1-100.9 137.8 17.7 15.8 24.4 123 133 A L - 0 0 0 -2,-0.4 2,-1.0 -93,-0.1 -33,-0.2 -0.536 18.6-127.6 -78.8 148.0 16.2 13.1 26.5 124 134 A R - 0 0 88 -35,-3.0 124,-0.2 -2,-0.2 2,-0.1 -0.829 43.1-170.6 -98.9 94.6 12.4 12.7 26.5 125 135 A Q - 0 0 6 122,-2.6 -89,-0.0 -2,-1.0 -3,-0.0 -0.458 28.4 -99.5 -91.6 158.8 11.8 12.8 30.3 126 136 A D > - 0 0 78 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.526 32.2-132.0 -71.6 136.3 8.9 12.1 32.6 127 137 A P H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.865 101.4 51.2 -58.7 -42.7 7.3 15.4 33.7 128 138 A I H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.969 113.5 42.8 -62.6 -54.4 7.1 14.6 37.4 129 139 A E H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 116.9 49.5 -58.3 -41.2 10.8 13.6 37.7 130 140 A C H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.906 109.5 51.2 -65.7 -41.9 11.8 16.5 35.6 131 141 A L H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.927 117.6 36.5 -61.8 -48.8 9.7 19.0 37.6 132 142 A F H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.841 112.6 57.3 -78.5 -31.0 11.1 18.0 41.0 133 143 A S H < S+ 0 0 2 -4,-2.6 4,-0.4 -5,-0.3 3,-0.4 0.958 113.2 41.8 -63.1 -45.7 14.7 17.3 39.8 134 144 A F H X S+ 0 0 7 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.725 102.7 64.7 -76.2 -18.2 14.9 20.9 38.5 135 145 A I H >< S+ 0 0 2 -4,-1.1 3,-0.6 1,-0.2 -1,-0.2 0.882 106.9 48.4 -65.5 -32.0 13.1 22.4 41.5 136 146 A C T 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.622 94.0 74.9 -79.5 -14.4 16.3 21.1 43.2 137 147 A S T >4 + 0 0 18 -4,-0.4 3,-1.4 -3,-0.4 -1,-0.2 0.710 66.5 125.5 -72.3 -19.6 18.6 22.6 40.6 138 148 A S T << S- 0 0 43 -3,-0.6 3,-0.1 -4,-0.6 56,-0.1 -0.063 90.3 -15.8 -42.2 132.1 18.1 26.1 42.0 139 149 A C T 3 S+ 0 0 117 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.836 117.5 118.3 33.4 53.6 21.4 27.8 43.0 140 150 A N < - 0 0 35 -3,-1.4 2,-0.3 4,-0.0 -1,-0.1 -0.925 61.4-125.1-143.2 164.5 23.1 24.4 42.7 141 151 A N > - 0 0 89 -2,-0.3 4,-2.8 -3,-0.1 5,-0.2 -0.749 32.7-108.9-110.0 159.8 25.7 22.4 40.8 142 152 A I H > S+ 0 0 53 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.844 113.7 52.3 -56.5 -42.6 25.3 19.1 39.0 143 153 A A H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.916 115.2 41.6 -63.8 -41.8 27.2 16.9 41.4 144 154 A R H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 111.7 54.2 -70.9 -45.7 25.2 18.1 44.4 145 155 A I H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.919 106.1 55.8 -51.8 -44.4 21.9 18.1 42.6 146 156 A T H X S+ 0 0 18 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.909 108.2 46.5 -56.1 -46.2 22.6 14.5 41.7 147 157 A G H X S+ 0 0 16 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.956 111.5 50.3 -61.5 -51.8 23.1 13.6 45.4 148 158 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.926 111.2 49.5 -51.6 -50.4 19.9 15.4 46.5 149 159 A V H X S+ 0 0 3 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.852 111.7 47.8 -60.5 -37.8 17.9 13.6 43.8 150 160 A E H X S+ 0 0 57 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.949 112.7 47.7 -68.6 -48.9 19.2 10.2 44.8 151 161 A R H X S+ 0 0 91 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.903 112.7 51.1 -57.4 -42.2 18.6 10.7 48.5 152 162 A L H X S+ 0 0 3 -4,-2.6 4,-1.9 -5,-0.3 5,-0.2 0.896 112.4 44.2 -62.7 -44.5 15.1 11.9 47.6 153 163 A C H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.890 111.3 55.5 -69.3 -38.6 14.2 8.9 45.5 154 164 A Q H < S+ 0 0 127 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.908 113.4 40.1 -59.6 -44.3 15.7 6.6 48.0 155 165 A A H < S+ 0 0 45 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.793 134.0 16.9 -78.9 -29.7 13.5 7.9 50.8 156 166 A F H < S+ 0 0 44 -4,-1.9 17,-0.5 -5,-0.2 -2,-0.2 0.500 102.7 90.4-124.1 -2.8 10.2 8.3 48.9 157 167 A G S < S- 0 0 10 -4,-2.8 14,-0.1 -5,-0.2 -4,-0.0 -0.651 82.5 -93.0 -97.1 153.2 10.4 6.3 45.7 158 168 A P - 0 0 80 0, 0.0 12,-3.1 0, 0.0 2,-0.3 -0.310 44.8-110.6 -63.1 142.6 9.4 2.7 45.1 159 169 A R E +E 169 0B 184 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.583 38.7 178.0 -76.9 128.1 12.1 0.1 45.5 160 170 A L E - 0 0 50 8,-3.1 -1,-0.1 -2,-0.3 9,-0.1 0.031 44.0 -45.6-103.6-144.3 13.3 -1.6 42.4 161 171 A I E - 0 0 49 -91,-0.2 7,-2.4 6,-0.1 2,-0.4 -0.299 50.2-125.8 -86.8 174.4 16.1 -4.2 42.1 162 172 A Q E -E 167 0B 117 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.963 18.3-173.4-123.0 135.5 19.6 -4.1 43.7 163 173 A L E > -E 166 0B 15 3,-2.7 3,-2.7 -2,-0.4 -158,-0.1 -0.998 68.6 -37.1-128.7 127.2 22.9 -4.5 41.9 164 174 A D T 3 S- 0 0 99 -2,-0.4 -160,-0.1 1,-0.3 -2,-0.0 -0.391 127.0 -29.0 55.1-131.6 26.1 -4.8 44.0 165 175 A D T 3 S+ 0 0 142 -3,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.127 116.9 104.6 -99.9 20.6 25.4 -2.3 46.8 166 176 A V E < -E 163 0B 39 -3,-2.7 -3,-2.7 2,-0.0 2,-0.6 -0.905 51.0-165.3-108.0 121.6 23.2 -0.1 44.8 167 177 A T E -E 162 0B 46 -2,-0.6 2,-0.2 -5,-0.2 -5,-0.2 -0.921 17.6-143.7-103.6 114.8 19.4 -0.2 45.4 168 178 A Y E - 0 0 19 -7,-2.4 -8,-3.1 -2,-0.6 2,-0.4 -0.557 14.7-163.3 -81.5 142.0 17.6 1.5 42.5 169 179 A H E -E 159 0B 26 -2,-0.2 -10,-0.2 -10,-0.2 -119,-0.1 -0.948 18.0-124.4-124.8 145.3 14.4 3.4 43.2 170 180 A G - 0 0 5 -12,-3.1 -14,-0.1 -2,-0.4 3,-0.1 -0.399 49.1 -85.3 -76.3 165.2 11.7 4.7 40.9 171 181 A F - 0 0 31 -14,-0.1 -1,-0.1 1,-0.1 -42,-0.1 -0.512 55.2 -97.1 -72.8 141.4 11.0 8.4 41.1 172 182 A P - 0 0 1 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.203 36.8-121.7 -58.3 145.4 8.6 9.4 43.9 173 183 A S > - 0 0 58 -17,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.308 24.4-107.4 -81.0 170.1 4.9 9.9 43.1 174 184 A L H > S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.920 120.0 54.5 -62.5 -45.0 2.9 13.2 43.7 175 185 A Q H 4 S+ 0 0 123 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.884 109.1 47.3 -58.5 -41.0 1.1 11.6 46.6 176 186 A A H >4 S+ 0 0 32 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.938 113.2 46.4 -67.6 -47.0 4.4 10.6 48.3 177 187 A L H 3< S+ 0 0 0 -4,-2.2 26,-0.2 1,-0.3 -1,-0.2 0.724 111.0 54.2 -68.6 -20.2 6.0 14.0 47.9 178 188 A A T 3< S+ 0 0 16 -4,-1.7 -1,-0.3 24,-0.2 -2,-0.2 0.521 88.7 117.8 -89.5 -6.6 2.8 15.7 49.1 179 189 A G S X S- 0 0 15 -3,-1.2 3,-1.2 -4,-0.4 4,-0.3 0.047 75.4 -76.5 -59.6 165.8 2.8 13.7 52.3 180 190 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.390 110.7 4.7 -67.6 138.0 3.0 14.9 55.9 181 191 A E T 3> S+ 0 0 163 -2,-0.1 4,-1.9 -3,-0.1 5,-0.1 0.600 85.1 130.7 65.6 15.5 6.4 15.9 57.2 182 192 A V H <> + 0 0 4 -3,-1.2 4,-2.9 2,-0.2 5,-0.2 0.927 68.6 55.1 -63.4 -44.3 8.1 15.5 53.8 183 193 A E H > S+ 0 0 38 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.943 108.6 46.7 -54.6 -52.1 9.8 18.9 54.0 184 194 A A H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 112.8 50.4 -58.6 -39.7 11.4 18.1 57.3 185 195 A H H X S+ 0 0 83 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.908 110.4 49.9 -65.2 -39.9 12.6 14.8 56.0 186 196 A L H <>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 3,-0.3 0.831 106.2 55.8 -67.2 -33.1 14.0 16.4 52.9 187 197 A R H ><5S+ 0 0 106 -4,-2.3 3,-1.6 1,-0.2 5,-0.3 0.885 103.8 53.3 -67.1 -36.8 15.9 19.0 55.0 188 198 A K H 3<5S+ 0 0 188 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.695 105.9 55.8 -68.5 -18.5 17.6 16.2 57.0 189 199 A L T 3<5S- 0 0 33 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.406 124.0-108.8 -92.4 1.0 18.6 14.9 53.5 190 200 A G T < 5S+ 0 0 38 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.716 76.4 133.2 83.3 23.8 20.2 18.3 52.8 191 201 A L > < - 0 0 0 -5,-2.1 3,-1.2 1,-0.2 -4,-0.2 0.661 45.1-163.8 -80.4 -13.5 17.8 19.8 50.3 192 202 A G T > - 0 0 28 -5,-0.3 3,-2.0 1,-0.2 4,-0.4 -0.329 62.8 -14.2 67.5-148.9 17.7 23.1 52.1 193 203 A Y T >> S+ 0 0 97 1,-0.3 4,-1.0 2,-0.2 3,-0.9 0.719 127.4 75.1 -60.8 -20.5 15.0 25.6 51.2 194 204 A R H <> S+ 0 0 12 -3,-1.2 4,-2.0 1,-0.3 -1,-0.3 0.774 82.0 69.5 -63.0 -25.0 14.3 23.5 48.1 195 205 A A H <> S+ 0 0 0 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.907 95.5 53.5 -57.8 -43.8 12.7 21.0 50.5 196 206 A R H <> S+ 0 0 139 -3,-0.9 4,-2.9 -4,-0.4 -1,-0.2 0.902 108.4 49.4 -58.7 -44.0 9.9 23.5 51.0 197 207 A Y H X S+ 0 0 91 -4,-1.0 4,-2.8 2,-0.2 5,-0.3 0.828 107.2 53.3 -68.3 -34.1 9.3 23.8 47.3 198 208 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.974 114.3 42.2 -64.1 -53.1 9.1 20.1 46.7 199 209 A S H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.953 117.2 48.1 -56.5 -52.6 6.4 19.7 49.3 200 210 A A H X S+ 0 0 32 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.872 113.5 45.1 -59.7 -42.6 4.6 22.8 48.2 201 211 A S H X S+ 0 0 0 -4,-2.8 4,-2.4 33,-0.2 5,-0.2 0.882 109.8 55.2 -71.6 -35.3 4.5 22.0 44.5 202 212 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -24,-0.2 0.970 114.5 40.8 -59.6 -48.4 3.5 18.4 45.2 203 213 A R H X S+ 0 0 98 -4,-2.3 4,-3.4 -26,-0.2 5,-0.2 0.887 111.4 56.4 -66.5 -39.4 0.5 19.7 47.1 204 214 A A H X>S+ 0 0 8 -4,-2.5 5,-1.7 -5,-0.2 4,-1.4 0.921 108.6 47.6 -59.7 -44.1 -0.2 22.5 44.7 205 215 A I H <5S+ 0 0 0 -4,-2.4 6,-3.1 3,-0.2 5,-0.4 0.934 120.3 35.7 -64.6 -45.3 -0.5 20.1 41.8 206 216 A L H <5S+ 0 0 56 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.856 127.1 35.0 -78.1 -35.0 -2.8 17.6 43.6 207 217 A E H <5S+ 0 0 145 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.412 133.1 15.3-103.9 4.5 -4.9 20.1 45.7 208 218 A E T <5S+ 0 0 145 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.553 121.2 46.5-143.7 -32.0 -5.2 23.1 43.4 209 219 A Q S > S- 0 0 9 -6,-3.1 3,-1.5 -7,-0.2 4,-0.9 -0.086 71.6 -27.5 75.4-171.5 -3.5 16.5 39.6 212 222 A L H >> S+ 0 0 71 1,-0.3 4,-2.7 2,-0.2 3,-0.9 0.848 129.3 63.2 -47.6 -46.0 -1.1 14.6 37.4 213 223 A A H 3> S+ 0 0 64 -3,-0.3 4,-1.7 1,-0.3 -1,-0.3 0.832 98.4 57.2 -52.6 -35.6 -3.5 14.8 34.4 214 224 A W H <4 S+ 0 0 32 -3,-1.5 4,-0.3 -4,-0.4 -1,-0.3 0.881 111.2 42.1 -64.0 -38.1 -3.0 18.6 34.6 215 225 A L H X< S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.9 4,-0.3 0.965 114.4 49.0 -72.4 -54.0 0.7 18.2 34.2 216 226 A Q H >< S+ 0 0 89 -4,-2.7 3,-1.1 1,-0.3 4,-0.2 0.745 101.9 63.5 -58.3 -28.1 0.6 15.5 31.5 217 227 A Q G >< S+ 0 0 80 -4,-1.7 3,-1.3 -5,-0.3 4,-0.5 0.656 83.8 78.3 -74.4 -12.7 -1.9 17.5 29.4 218 228 A L G X S+ 0 0 3 -3,-1.8 3,-0.9 -4,-0.3 -1,-0.2 0.773 76.5 74.0 -66.2 -24.4 0.7 20.2 28.9 219 229 A R G < S+ 0 0 60 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.798 100.5 43.7 -58.2 -29.2 2.4 18.1 26.3 220 230 A E G < S+ 0 0 160 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.565 100.7 88.9 -92.3 -11.2 -0.5 18.9 24.0 221 231 A S S < S- 0 0 32 -3,-0.9 -3,-0.0 -4,-0.5 0, 0.0 -0.509 87.9 -96.2 -85.6 156.8 -0.5 22.6 24.9 222 232 A S > - 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0 0 22 -4,-2.5 3,-2.0 -5,-0.4 -1,-0.2 -0.525 55.9 -9.2 97.3-163.7 14.9 28.1 14.9 299 309 A P T 3 S+ 0 0 92 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.613 136.1 44.2 -49.2 -24.5 12.2 25.6 16.2 300 310 A Y T >> + 0 0 83 -3,-0.4 4,-1.8 1,-0.1 3,-1.2 -0.014 68.3 132.1-115.1 29.4 14.8 23.5 17.9 301 311 A A H <> S+ 0 0 0 -3,-2.0 4,-2.8 1,-0.3 -48,-0.2 0.861 70.3 61.4 -47.2 -39.9 16.8 26.2 19.6 302 312 A G H 3> S+ 0 0 0 -50,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.878 103.7 46.9 -56.6 -42.1 16.6 24.3 22.8 303 313 A W H <> S+ 0 0 7 -3,-1.2 4,-1.6 -51,-0.6 -1,-0.2 0.910 111.2 51.3 -67.0 -41.3 18.5 21.3 21.4 304 314 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 3,-0.2 0.921 106.8 55.6 -60.3 -42.4 21.1 23.6 19.9 305 315 A Q H X S+ 0 0 13 -4,-2.8 4,-3.5 1,-0.2 5,-0.3 0.905 102.9 55.9 -56.0 -42.5 21.4 25.1 23.4 306 316 A A H X S+ 0 0 8 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.891 103.1 55.1 -59.9 -39.6 22.1 21.7 24.7 307 317 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.931 117.5 33.6 -61.1 -46.7 25.0 21.2 22.3 308 318 A L H X S+ 0 0 6 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.931 118.0 52.9 -74.5 -46.0 26.8 24.4 23.5 309 319 A F H X S+ 0 0 40 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.901 114.6 44.3 -53.8 -42.9 25.6 24.1 27.1 310 320 A S H X S+ 0 0 3 -4,-2.8 4,-0.7 -5,-0.3 -1,-0.2 0.900 114.2 47.4 -68.9 -44.1 27.1 20.6 27.1 311 321 A A H < S+ 0 0 17 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.663 109.9 56.6 -72.4 -15.3 30.3 21.6 25.3 312 322 A D H >< S+ 0 0 18 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.870 99.3 56.2 -82.2 -39.5 30.6 24.5 27.8 313 323 A L H 3< S+ 0 0 46 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.723 91.2 76.9 -63.2 -20.8 30.5 22.3 30.9 314 324 A R T 3< 0 0 100 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.364 360.0 360.0 -72.6 7.3 33.5 20.5 29.3 315 325 A Q < 0 0 142 -3,-1.5 -1,-0.2 0, 0.0 -2,-0.2 0.845 360.0 360.0-101.7 360.0 35.6 23.4 30.5