==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-MAY-10 3MXU . COMPND 2 MOLECULE: GLYCINE CLEAVAGE SYSTEM H PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 64.9 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 . 42 31.3 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 0 0 2 1 0 0 0 0 0 0 0 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 2 0 4 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 . 0 1 0 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 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 -12 A M > 0 0 123 0, 0.0 4,-1.0 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 174.6 2.8 15.1 26.6 2 -11 A G H > + 0 0 24 2,-0.2 4,-1.7 1,-0.2 12,-0.2 0.669 360.0 65.8 -76.8 -20.7 -0.3 16.3 28.5 3 -10 A T H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 97.7 53.3 -66.3 -43.0 1.9 17.5 31.3 4 -9 A L H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.950 107.8 51.0 -53.9 -52.6 3.5 20.1 29.0 5 -8 A E H X S+ 0 0 60 -4,-1.0 4,-2.2 1,-0.2 5,-0.5 0.895 110.9 48.2 -49.5 -48.8 -0.0 21.4 28.1 6 -7 A A H < S+ 0 0 1 -4,-1.7 24,-2.6 1,-0.2 -1,-0.2 0.838 113.6 47.2 -65.6 -36.9 -1.0 21.7 31.8 7 -6 A Q H < S+ 0 0 42 -4,-2.1 -2,-0.2 22,-0.2 -1,-0.2 0.841 113.3 48.2 -71.0 -37.6 2.3 23.5 32.6 8 -5 A T H < S- 0 0 108 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.877 85.2-157.5 -72.1 -40.5 1.9 26.0 29.7 9 -4 A Q < + 0 0 98 -4,-2.2 -3,-0.1 -5,-0.2 3,-0.1 0.819 28.2 165.7 60.6 36.6 -1.7 26.9 30.3 10 -3 A G > - 0 0 29 -5,-0.5 3,-1.8 1,-0.2 -1,-0.1 -0.024 51.6 -51.9 -66.2 179.5 -2.3 28.0 26.7 11 -2 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.290 130.8 14.0 -59.7 141.0 -5.9 28.6 25.4 12 -1 A G T 3 S+ 0 0 80 1,-0.2 -2,-0.1 -3,-0.1 2,-0.0 0.599 93.7 155.4 69.7 12.3 -8.2 25.6 26.0 13 0 A S < - 0 0 41 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.2 -0.336 25.4-162.4 -70.5 153.5 -5.7 24.2 28.5 14 1 A M - 0 0 135 -12,-0.2 -5,-0.1 -2,-0.0 -4,-0.1 -0.999 21.3-115.2-138.8 136.0 -6.8 21.8 31.2 15 2 A S - 0 0 55 -2,-0.3 2,-0.4 14,-0.1 14,-0.2 -0.378 30.4-138.2 -65.6 149.4 -5.1 20.8 34.5 16 3 A K E -A 28 0A 44 12,-1.0 12,-2.1 -13,-0.1 2,-0.4 -0.945 11.6-156.5-114.0 134.6 -4.1 17.1 34.6 17 4 A T E -A 27 0A 30 -2,-0.4 116,-2.7 116,-0.4 2,-0.4 -0.913 9.0-170.4-111.9 139.7 -4.6 15.0 37.8 18 5 A Y E -AB 26 132A 10 8,-2.8 8,-2.3 -2,-0.4 2,-0.3 -0.956 11.9-143.3-127.2 145.4 -2.7 11.8 38.5 19 6 A F E -AB 25 131A 73 112,-2.9 112,-2.1 -2,-0.4 6,-0.2 -0.816 16.7-145.1-108.2 153.1 -3.1 9.2 41.2 20 7 A T - 0 0 12 4,-2.7 3,-0.4 -2,-0.3 110,-0.1 -0.138 33.0 -93.2-100.9-165.8 -0.2 7.4 42.9 21 8 A Q S S+ 0 0 142 1,-0.2 109,-0.1 2,-0.1 -2,-0.0 0.471 118.3 53.5 -84.4 -3.2 0.3 3.9 44.3 22 9 A D S S- 0 0 109 2,-0.1 -1,-0.2 57,-0.1 57,-0.1 -0.096 120.7 -89.7-130.1 35.7 -0.8 5.0 47.8 23 10 A H S S+ 0 0 74 -3,-0.4 15,-1.8 1,-0.2 2,-0.3 0.887 89.8 119.0 56.8 43.9 -4.2 6.6 47.4 24 11 A E E - C 0 37A 10 13,-0.3 -4,-2.7 17,-0.1 2,-0.3 -0.894 44.5-158.8-125.7 161.0 -2.8 10.1 46.8 25 12 A W E -AC 19 36A 7 11,-2.2 11,-1.9 -2,-0.3 2,-0.3 -0.954 5.0-162.9-134.9 158.7 -3.2 12.4 43.9 26 13 A L E -AC 18 35A 0 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.4 -0.993 5.9-158.0-138.2 145.2 -1.4 15.4 42.4 27 14 A S E -AC 17 34A 13 7,-2.5 7,-2.5 -2,-0.3 2,-0.5 -0.979 8.3-145.6-124.6 140.4 -2.6 17.9 39.9 28 15 A V E +AC 16 33A 7 -12,-2.1 -12,-1.0 -2,-0.4 2,-0.4 -0.908 25.3 161.0-108.2 122.5 -0.4 20.1 37.7 29 16 A E E > S- C 0 32A 104 3,-2.4 3,-2.1 -2,-0.5 -22,-0.2 -0.926 73.2 -44.4-138.2 112.9 -1.4 23.7 36.8 30 17 A G T 3 S- 0 0 9 -24,-2.6 -22,-0.1 -2,-0.4 -21,-0.1 -0.479 120.3 -31.3 61.3-132.6 1.5 25.8 35.6 31 18 A Q T 3 S+ 0 0 127 -2,-0.2 84,-1.2 -3,-0.1 2,-0.6 0.250 117.7 105.0 -97.2 11.9 4.4 25.2 38.0 32 19 A V E < -CD 29 114A 52 -3,-2.1 -3,-2.4 82,-0.2 2,-0.6 -0.830 52.2-165.6-100.1 123.0 1.9 24.6 40.9 33 20 A V E -CD 28 113A 6 80,-2.9 80,-2.7 -2,-0.6 2,-0.4 -0.942 6.2-159.2-106.4 120.0 1.4 21.0 42.0 34 21 A T E -CD 27 112A 15 -7,-2.5 -7,-2.5 -2,-0.6 2,-0.4 -0.822 9.3-162.6 -98.6 140.2 -1.6 20.5 44.2 35 22 A V E +CD 26 111A 0 76,-2.9 75,-2.7 -2,-0.4 76,-1.5 -0.954 19.5 145.1-127.5 139.6 -1.6 17.3 46.4 36 23 A G E -C 25 0A 0 -11,-1.9 -11,-2.2 -2,-0.4 2,-0.3 -0.902 47.1 -91.2-151.9-178.1 -4.4 15.5 48.3 37 24 A I E -C 24 0A 6 71,-0.3 -13,-0.3 -2,-0.3 -14,-0.1 -0.740 48.9-108.7 -96.8 156.1 -5.7 12.1 49.3 38 25 A T > - 0 0 7 -15,-1.8 4,-2.2 -2,-0.3 5,-0.2 -0.254 25.6-105.5 -79.3 168.2 -8.0 10.2 47.0 39 26 A D H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.865 123.8 57.2 -55.4 -38.4 -11.8 9.6 47.4 40 27 A Y H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 105.7 48.8 -58.8 -49.2 -10.7 6.0 48.2 41 28 A A H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.907 109.9 49.9 -60.2 -44.3 -8.4 7.1 51.0 42 29 A Q H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.912 110.7 51.5 -65.1 -36.1 -11.1 9.4 52.7 43 30 A E H < S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.894 106.9 53.3 -65.7 -39.9 -13.6 6.5 52.5 44 31 A Q H < S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 114.5 42.3 -59.3 -38.1 -11.0 4.1 54.2 45 32 A L H < S- 0 0 17 -4,-1.7 28,-0.4 1,-0.2 29,-0.2 0.810 96.0-150.9 -83.6 -29.9 -10.6 6.6 57.1 46 33 A G < + 0 0 32 -4,-2.1 -1,-0.2 -5,-0.2 2,-0.1 -0.404 58.6 3.7 81.7-168.2 -14.1 7.7 57.7 47 34 A D S S- 0 0 133 -2,-0.1 25,-0.6 1,-0.1 2,-0.3 -0.247 76.9-134.7 -57.7 120.0 -15.0 11.1 59.1 48 35 A L E +G 71 0B 7 23,-0.2 23,-0.3 1,-0.1 3,-0.1 -0.562 26.1 177.3 -81.0 136.0 -11.9 13.2 59.5 49 36 A V E + 0 0 78 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.563 67.2 18.7-111.6 -18.7 -11.5 15.2 62.8 50 37 A F E -G 70 0B 110 20,-1.6 20,-2.1 47,-0.1 2,-0.5 -0.959 53.9-162.8-157.6 138.0 -8.1 16.7 62.3 51 38 A I E -G 69 0B 14 -2,-0.3 2,-0.7 42,-0.2 18,-0.2 -0.984 9.2-159.3-122.1 120.3 -5.7 17.5 59.4 52 39 A D E -G 68 0B 85 16,-2.9 16,-2.1 -2,-0.5 -2,-0.0 -0.879 19.4-166.3-100.7 110.6 -2.1 18.3 60.2 53 40 A L - 0 0 27 -2,-0.7 14,-0.1 14,-0.2 36,-0.1 -0.595 21.7-102.1-100.3 156.1 -0.6 20.2 57.3 54 41 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.231 41.6 -99.7 -67.9 162.1 3.1 21.0 56.4 55 42 A Q > - 0 0 148 1,-0.1 3,-1.8 11,-0.0 31,-0.2 -0.646 41.9-102.3 -77.0 140.5 4.6 24.4 57.1 56 43 A N T 3 S+ 0 0 94 -2,-0.3 31,-0.2 1,-0.2 3,-0.1 -0.380 110.1 33.0 -57.8 138.5 4.9 26.8 54.1 57 44 A G T 3 S+ 0 0 35 29,-3.3 -1,-0.2 1,-0.3 2,-0.2 0.322 81.7 147.4 92.7 -6.6 8.4 26.8 52.8 58 45 A T < - 0 0 49 -3,-1.8 28,-2.8 28,-0.1 2,-0.6 -0.459 44.6-138.8 -63.7 126.4 9.1 23.2 53.7 59 46 A K E -E 85 0A 163 -2,-0.2 2,-0.4 26,-0.2 26,-0.2 -0.796 26.5-165.4 -87.4 120.2 11.4 21.6 51.2 60 47 A L E -E 84 0A 11 24,-3.5 24,-2.2 -2,-0.6 2,-0.4 -0.858 15.3-155.0-109.8 145.6 10.2 18.0 50.5 61 48 A S > - 0 0 60 -2,-0.4 3,-2.5 22,-0.2 19,-0.3 -0.900 46.8 -83.6-107.6 147.3 11.7 15.0 48.8 62 49 A K T 3 S+ 0 0 85 -2,-0.4 21,-0.1 1,-0.3 20,-0.0 -0.264 119.6 23.7 -45.1 124.9 9.6 12.4 47.1 63 50 A G T 3 S+ 0 0 43 17,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.212 86.3 138.4 98.7 -13.1 8.4 10.0 49.9 64 51 A D < - 0 0 70 -3,-2.5 16,-2.7 16,-0.2 2,-0.4 -0.448 63.4-112.6 -65.7 134.5 8.8 12.4 52.8 65 52 A A E + H 0 79B 65 14,-0.2 14,-0.2 1,-0.2 -1,-0.1 -0.542 49.6 162.7 -61.9 120.7 5.9 12.3 55.4 66 53 A A E + 0 0 16 12,-3.0 2,-0.3 -2,-0.4 13,-0.2 0.655 52.4 13.8-118.5 -27.3 4.4 15.7 54.8 67 54 A A E - H 0 78B 4 11,-1.7 11,-2.8 -14,-0.1 2,-0.4 -0.947 56.7-140.1-146.6 164.0 0.8 15.7 56.4 68 55 A V E -GH 52 77B 37 -16,-2.1 -16,-2.9 -2,-0.3 2,-0.4 -0.999 9.4-164.6-129.1 129.4 -1.3 13.6 58.7 69 56 A V E -GH 51 76B 0 7,-2.7 7,-1.8 -2,-0.4 2,-0.4 -0.970 18.1-169.2-112.8 134.6 -5.1 13.0 58.1 70 57 A E E +GH 50 75B 77 -20,-2.1 -21,-2.9 -2,-0.4 -20,-1.6 -0.977 19.7 171.8-136.7 126.1 -6.9 11.7 61.2 71 58 A S E -G 48 0B 7 3,-3.3 -23,-0.2 -2,-0.4 -25,-0.1 -0.587 52.2 -97.8-109.8-176.5 -10.3 10.2 62.0 72 59 A V S S+ 0 0 137 -25,-0.6 -26,-0.1 -2,-0.2 -24,-0.1 0.913 123.0 38.3 -67.7 -40.1 -11.3 8.7 65.4 73 60 A K S S+ 0 0 101 -28,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.671 125.4 14.3 -84.9 -18.3 -10.6 5.1 64.2 74 61 A A - 0 0 40 -29,-0.2 -3,-3.3 2,-0.0 2,-0.3 -0.985 51.5-158.0-158.7 151.6 -7.5 5.7 62.0 75 62 A A E -H 70 0B 61 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.918 13.0-168.0-131.5 163.4 -4.7 8.0 61.1 76 63 A S E -H 69 0B 52 -7,-1.8 -7,-2.7 -2,-0.3 2,-0.2 -0.953 18.2-132.8-155.3 129.7 -2.6 8.2 58.0 77 64 A D E -H 68 0B 71 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.602 19.7-144.9 -75.8 146.3 0.6 9.9 56.9 78 65 A V E -H 67 0B 1 -11,-2.8 -12,-3.0 -2,-0.2 -11,-1.7 -0.982 17.6-148.7-114.3 125.9 0.4 11.6 53.5 79 66 A Y E -H 65 0B 92 -2,-0.5 -14,-0.2 -14,-0.2 -15,-0.1 -0.677 22.3-101.1-101.9 149.0 3.8 11.5 51.7 80 67 A A - 0 0 2 -16,-2.7 -17,-3.2 -19,-0.3 -16,-0.2 -0.483 25.6-158.4 -65.7 125.1 5.3 13.9 49.2 81 68 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.730 74.0 13.6 -79.1 -16.4 4.7 12.6 45.7 82 69 A L S S- 0 0 2 -21,-0.1 2,-0.3 -20,-0.0 -19,-0.1 -0.948 87.5 -92.4-145.6 158.7 7.5 14.7 44.2 83 70 A D S S+ 0 0 73 -2,-0.3 2,-0.3 -22,-0.2 -22,-0.2 -0.578 72.7 100.2 -65.1 139.5 10.5 16.8 45.3 84 71 A G E -E 60 0A 20 -24,-2.2 -24,-3.5 -2,-0.3 2,-0.4 -0.980 67.1 -73.5 167.5-167.8 9.6 20.5 45.7 85 72 A E E -EF 59 114A 70 29,-1.9 29,-2.5 -2,-0.3 2,-0.3 -0.958 36.2-121.8-121.2 129.9 8.7 23.3 48.1 86 73 A V E + F 0 113A 0 -28,-2.8 -29,-3.3 -2,-0.4 27,-0.3 -0.500 36.5 166.0 -65.3 126.3 5.4 23.8 50.0 87 74 A V E + 0 0 62 25,-2.8 2,-0.3 1,-0.4 26,-0.2 0.569 60.7 14.5-118.8 -15.8 4.0 27.2 49.0 88 75 A E E - F 0 112A 107 24,-1.5 24,-2.8 -33,-0.1 -1,-0.4 -0.975 57.0-158.7-157.0 146.3 0.4 27.1 50.2 89 76 A I E - F 0 111A 46 -2,-0.3 2,-1.1 22,-0.2 22,-0.2 -0.861 38.4 -98.0-122.7 163.6 -1.8 24.9 52.5 90 77 A N > - 0 0 12 20,-2.0 3,-1.4 -2,-0.3 4,-0.2 -0.681 34.1-171.7 -87.0 100.3 -5.6 24.6 52.5 91 78 A A G > S+ 0 0 80 -2,-1.1 3,-0.8 1,-0.3 4,-0.4 0.675 76.7 70.9 -68.4 -17.0 -6.7 27.0 55.2 92 79 A A G >> S+ 0 0 44 1,-0.2 4,-2.2 2,-0.1 3,-0.5 0.766 83.7 72.7 -67.8 -24.0 -10.3 25.8 55.1 93 80 A L G <4 S+ 0 0 3 -3,-1.4 -1,-0.2 1,-0.2 -42,-0.2 0.681 81.9 67.5 -72.6 -20.7 -9.3 22.4 56.7 94 81 A A G <4 S+ 0 0 97 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.1 0.933 117.2 24.6 -60.4 -47.2 -8.7 23.8 60.2 95 82 A E T <4 S+ 0 0 88 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.2 0.771 135.6 36.0 -87.3 -28.1 -12.4 24.6 60.7 96 83 A S >< + 0 0 43 -4,-2.2 3,-1.8 1,-0.1 4,-0.3 -0.568 56.2 157.3-130.1 67.4 -13.7 22.0 58.2 97 84 A P T > S+ 0 0 15 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.816 74.4 70.7 -62.1 -24.9 -11.6 18.8 58.2 98 85 A E T 3> S+ 0 0 77 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.633 75.4 81.0 -67.2 -14.0 -14.7 17.0 56.7 99 86 A L H <> S+ 0 0 23 -3,-1.8 4,-2.7 1,-0.2 -1,-0.3 0.831 87.2 58.4 -60.0 -29.0 -14.1 18.9 53.4 100 87 A V H <4 S+ 0 0 0 -3,-1.7 4,-0.4 -4,-0.3 -1,-0.2 0.910 107.9 44.9 -66.4 -42.0 -11.5 16.2 52.7 101 88 A N H 4 S+ 0 0 16 -4,-0.5 3,-0.4 2,-0.2 -2,-0.2 0.899 118.5 43.4 -62.7 -42.6 -14.2 13.5 53.0 102 89 A Q H < S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.867 134.9 11.4 -73.9 -38.4 -16.7 15.5 50.9 103 90 A K S ><>S+ 0 0 87 -4,-2.7 5,-2.9 -5,-0.2 3,-1.7 -0.355 70.4 157.6-142.7 53.1 -14.3 16.7 48.1 104 91 A A T 3 5S+ 0 0 2 -4,-0.4 -67,-0.2 -3,-0.4 -1,-0.1 0.814 78.9 40.5 -52.0 -38.6 -11.1 14.7 48.4 105 92 A E T 3 5S+ 0 0 68 -69,-0.1 -1,-0.3 4,-0.1 -67,-0.1 0.344 130.4 16.9-100.6 6.0 -10.0 15.2 44.8 106 93 A T T X 5S+ 0 0 87 -3,-1.7 3,-1.2 -6,-0.1 -2,-0.1 0.228 131.1 13.7-134.3 -96.5 -11.0 18.8 44.4 107 94 A E T 3 5S+ 0 0 111 1,-0.3 -3,-0.2 -8,-0.1 -7,-0.1 0.672 118.2 66.0 -66.6 -19.3 -11.9 21.3 47.2 108 95 A G T 3 < + 0 0 0 -5,-2.9 -71,-0.3 -9,-0.2 -1,-0.3 0.097 69.8 145.3 -93.0 23.2 -10.3 19.1 49.9 109 96 A W < - 0 0 46 -3,-1.2 -73,-0.3 -6,-0.1 3,-0.1 -0.154 40.3-149.5 -53.9 152.0 -6.8 19.4 48.6 110 97 A L - 0 0 0 -75,-2.7 -20,-2.0 1,-0.3 2,-0.3 0.903 60.3 -15.3 -96.8 -55.1 -4.1 19.4 51.3 111 98 A W E -DF 35 89A 0 -76,-1.5 -76,-2.9 -22,-0.2 2,-0.4 -0.955 49.8-133.7-147.9 167.2 -1.2 21.5 50.0 112 99 A K E -DF 34 88A 44 -24,-2.8 -25,-2.8 -2,-0.3 -24,-1.5 -0.957 25.0-176.7-121.8 141.9 0.4 23.1 46.9 113 100 A M E -DF 33 86A 0 -80,-2.7 -80,-2.9 -2,-0.4 2,-0.4 -0.975 22.0-122.1-138.2 150.7 4.1 22.9 46.1 114 101 A T E -DF 32 85A 53 -29,-2.5 -29,-1.9 -2,-0.3 2,-0.4 -0.734 19.7-175.9 -93.9 143.7 6.4 24.3 43.5 115 102 A V - 0 0 24 -84,-1.2 3,-0.1 -2,-0.4 -31,-0.1 -0.977 12.3-159.2-126.6 134.2 8.4 22.1 41.2 116 103 A Q S S+ 0 0 94 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.846 78.9 23.0 -84.7 -36.4 10.8 24.0 38.9 117 104 A D > - 0 0 104 -86,-0.0 3,-0.6 1,-0.0 -1,-0.3 -0.997 64.5-145.9-137.0 139.7 11.2 21.1 36.3 118 105 A E T 3> + 0 0 33 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.149 66.2 111.2 -92.0 19.2 9.0 18.2 35.7 119 106 A T H 3> S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 80.4 48.9 -59.3 -40.9 11.7 15.6 34.8 120 107 A Q H <> S+ 0 0 33 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.948 113.9 45.0 -66.8 -47.1 11.0 13.6 38.0 121 108 A L H > S+ 0 0 6 -4,-0.2 4,-2.3 1,-0.2 5,-0.2 0.900 110.2 55.9 -61.6 -41.9 7.2 13.6 37.4 122 109 A E H X S+ 0 0 94 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.900 107.2 50.0 -56.7 -42.5 7.8 12.7 33.7 123 110 A R H X S+ 0 0 112 -4,-2.1 4,-2.2 2,-0.2 6,-0.2 0.937 110.3 48.6 -60.4 -48.4 9.8 9.6 34.8 124 111 A L H <>S+ 0 0 9 -4,-1.9 5,-1.8 1,-0.2 6,-1.5 0.846 114.1 47.0 -63.8 -35.5 7.1 8.4 37.2 125 112 A L H ><5S+ 0 0 36 -4,-2.3 3,-0.9 3,-0.2 -1,-0.2 0.909 110.8 50.9 -70.4 -42.7 4.4 8.8 34.5 126 113 A D H 3<5S+ 0 0 142 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.857 113.5 46.0 -63.2 -33.6 6.6 7.0 31.9 127 114 A E T 3<5S- 0 0 120 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.554 109.9-126.5 -77.9 -14.9 7.0 4.2 34.5 128 115 A A T < 5S+ 0 0 49 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.713 73.7 129.4 60.7 26.3 3.3 4.2 35.2 129 116 A A S