==== 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 HYDROLASE 09-AUG-10 3OCA . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 358 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 66.2 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 . 66 18.4 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 . 2 0.6 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 . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 0 0 0 0 0 0 0 3 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 98 0, 0.0 2,-0.8 0, 0.0 36,-0.4 0.000 360.0 360.0 360.0 134.0 18.1 -30.6 38.1 2 3 A V - 0 0 89 34,-0.1 2,-0.1 35,-0.1 32,-0.1 -0.738 360.0-160.1 -93.0 111.6 18.9 -31.9 34.5 3 4 A L - 0 0 50 -2,-0.8 2,-0.2 30,-0.4 -1,-0.0 -0.427 23.3-103.2 -89.1 156.7 16.7 -30.3 31.8 4 5 A S - 0 0 116 -2,-0.1 2,-0.5 47,-0.1 -1,-0.1 -0.584 38.1-127.0 -74.2 142.5 16.0 -31.6 28.3 5 6 A I - 0 0 30 -2,-0.2 46,-0.2 99,-0.1 2,-0.2 -0.822 13.1-125.9-101.0 126.3 18.0 -29.8 25.6 6 7 A V - 0 0 10 44,-3.1 2,-0.3 -2,-0.5 46,-0.1 -0.490 34.6-163.8 -69.4 130.2 16.2 -28.2 22.7 7 8 A T > - 0 0 27 -2,-0.2 3,-1.9 99,-0.1 99,-0.2 -0.871 22.8 -56.9-122.6 150.9 17.8 -29.6 19.5 8 9 A V T 3 S+ 0 0 9 97,-2.4 3,-0.1 -2,-0.3 -1,-0.0 -0.347 113.4 32.2 -57.2 145.8 17.8 -28.5 15.8 9 10 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 5,-0.1 -0.929 83.8 125.9 -91.7 18.7 15.6 -28.0 13.8 10 11 A D X - 0 0 54 -3,-1.9 3,-1.6 1,-0.2 4,-0.3 -0.060 60.1-137.4 -38.7 120.7 13.4 -26.8 16.7 11 12 A K G > S+ 0 0 75 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.689 95.3 75.0 -62.4 -18.8 12.2 -23.3 15.7 12 13 A R G > S+ 0 0 102 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.793 85.1 64.0 -64.6 -29.6 12.8 -22.0 19.3 13 14 A L G < S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.633 98.5 56.8 -66.4 -17.2 16.5 -22.0 18.6 14 15 A S G < S+ 0 0 82 -3,-1.4 2,-0.3 -4,-0.3 186,-0.2 0.476 87.1 93.1 -92.2 -5.0 16.0 -19.3 15.9 15 16 A L S < S- 0 0 77 -3,-1.1 137,-0.4 -4,-0.3 138,-0.1 -0.700 80.1-112.9 -91.9 143.7 14.2 -16.8 18.1 16 17 A a - 0 0 8 -2,-0.3 2,-0.3 135,-0.2 135,-0.2 -0.368 30.3-123.2 -69.9 150.7 16.2 -14.0 19.9 17 18 A S - 0 0 1 133,-2.9 38,-0.3 38,-0.1 2,-0.2 -0.730 24.0-117.7 -98.8 148.6 16.4 -14.0 23.7 18 19 A E B -a 55 0A 53 36,-2.7 38,-2.7 -2,-0.3 68,-0.2 -0.492 27.2 -99.0 -89.0 150.7 15.2 -11.2 25.9 19 20 A E - 0 0 55 313,-0.3 2,-0.6 176,-0.3 -1,-0.1 -0.322 38.3-120.3 -54.2 141.6 17.2 -8.9 28.3 20 21 A V - 0 0 8 36,-0.3 3,-0.2 1,-0.1 -1,-0.1 -0.861 21.8-161.8 -87.2 122.1 16.8 -10.1 32.0 21 22 A E S S+ 0 0 175 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.871 73.3 10.2 -75.9 -42.1 15.3 -7.2 34.0 22 23 A K - 0 0 60 2,-0.0 2,-1.4 0, 0.0 -1,-0.3 -0.985 66.4-135.5-142.3 130.5 16.3 -8.3 37.4 23 24 A V + 0 0 22 -2,-0.4 2,-0.1 -3,-0.2 102,-0.0 -0.699 50.3 154.8 -83.3 89.2 18.6 -11.1 38.5 24 25 A D >> - 0 0 75 -2,-1.4 4,-2.2 104,-0.0 3,-0.7 -0.286 62.4 -77.7-106.2-171.1 16.4 -12.6 41.3 25 26 A Q H 3> S+ 0 0 166 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.845 128.7 58.9 -62.7 -30.3 16.1 -16.1 42.9 26 27 A S H 3> S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.845 107.5 47.3 -67.3 -31.4 14.1 -17.4 39.8 27 28 A I H <> S+ 0 0 9 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.933 111.0 49.5 -73.6 -48.2 17.1 -16.4 37.6 28 29 A R H X S+ 0 0 66 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.911 109.1 53.6 -57.2 -38.7 19.6 -18.1 39.9 29 30 A K H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.941 109.0 48.3 -62.4 -45.1 17.5 -21.3 40.0 30 31 A L H X S+ 0 0 26 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.892 112.4 49.5 -59.4 -40.1 17.5 -21.3 36.2 31 32 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.921 108.1 52.9 -66.9 -43.5 21.3 -20.8 36.2 32 33 A D H X S+ 0 0 73 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.948 111.6 46.9 -53.1 -48.5 21.7 -23.7 38.8 33 34 A D H X S+ 0 0 45 -4,-2.5 4,-2.6 1,-0.2 -30,-0.4 0.870 109.9 52.8 -64.5 -37.0 19.7 -25.9 36.4 34 35 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.902 108.8 49.8 -65.7 -41.0 21.8 -24.8 33.4 35 36 A F H X S+ 0 0 48 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.952 113.0 46.3 -58.5 -50.1 25.0 -25.7 35.2 36 37 A E H X S+ 0 0 35 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.909 113.1 49.5 -61.8 -42.2 23.7 -29.1 36.2 37 38 A T H X S+ 0 0 0 -4,-2.6 4,-1.0 -36,-0.4 -1,-0.2 0.836 112.9 47.7 -65.5 -35.2 22.4 -29.7 32.6 38 39 A M H X>S+ 0 0 9 -4,-2.0 5,-2.3 2,-0.2 4,-0.5 0.924 113.4 46.2 -70.4 -49.5 25.8 -28.6 31.2 39 40 A H H ><5S+ 0 0 165 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.960 111.9 53.0 -55.1 -47.9 27.9 -30.8 33.6 40 41 A A H 3<5S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.757 112.0 43.3 -64.9 -26.4 25.5 -33.8 32.9 41 42 A N H 3<5S- 0 0 70 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.310 112.2-113.2-104.6 7.1 25.9 -33.6 29.1 42 43 A Q T <<5 + 0 0 99 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.2 0.785 64.0 154.3 72.7 31.6 29.7 -33.0 29.1 43 44 A G < - 0 0 20 -5,-2.3 -1,-0.2 -6,-0.1 3,-0.1 -0.558 47.6-152.8 -99.1 154.3 29.4 -29.5 27.7 44 45 A L S S+ 0 0 83 1,-0.2 17,-2.4 -2,-0.2 2,-0.3 0.581 83.0 9.6 -92.5 -18.8 31.7 -26.4 27.9 45 46 A G E -B 60 0B 7 15,-0.3 59,-0.3 -7,-0.1 2,-0.3 -0.983 57.9-171.8-159.2 159.4 28.8 -23.9 27.5 46 47 A L E -B 59 0B 0 13,-2.1 13,-2.4 -2,-0.3 2,-0.3 -0.936 11.6-149.2-160.1 133.4 25.0 -23.6 27.4 47 48 A A E > -B 58 0B 0 -2,-0.3 3,-1.3 11,-0.2 4,-0.4 -0.765 29.6-118.3-102.3 151.7 22.5 -20.8 26.6 48 49 A A G > >S+ 0 0 0 9,-2.4 5,-1.9 7,-0.4 3,-1.9 0.834 112.4 63.1 -60.6 -33.9 19.1 -20.6 28.3 49 50 A V G > 5S+ 0 0 0 6,-0.3 3,-2.1 1,-0.3 -1,-0.3 0.820 90.8 66.5 -61.7 -30.6 17.4 -21.0 24.9 50 51 A Q G < 5S+ 0 0 1 -3,-1.3 -44,-3.1 1,-0.3 -1,-0.3 0.667 105.4 44.1 -65.3 -18.2 18.9 -24.4 24.7 51 52 A V G < 5S- 0 0 17 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.049 131.0 -94.4-111.0 23.0 16.7 -25.4 27.6 52 53 A G T < 5S+ 0 0 26 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.571 88.4 117.5 89.0 10.5 13.6 -23.6 26.2 53 54 A V < - 0 0 43 -5,-1.9 2,-1.7 -6,-0.1 -2,-0.2 -0.954 54.5-147.6-118.1 120.8 13.9 -20.2 27.9 54 55 A H + 0 0 52 -2,-0.5 -36,-2.7 -5,-0.1 2,-0.3 -0.449 55.2 117.5 -88.8 67.6 14.3 -17.1 25.8 55 56 A K B S-a 18 0A 88 -2,-1.7 2,-2.0 -38,-0.3 -7,-0.4 -0.949 75.1-104.9-132.6 152.4 16.4 -15.0 28.1 56 57 A R S S+ 0 0 26 -38,-2.7 30,-2.5 -2,-0.3 2,-0.4 -0.494 74.2 122.2 -81.1 77.2 19.9 -13.6 27.8 57 58 A I E + C 0 85B 0 -2,-2.0 -9,-2.4 28,-0.2 2,-0.3 -0.997 30.2 169.6-140.0 130.3 21.7 -16.0 30.1 58 59 A L E -BC 47 84B 0 26,-2.4 26,-2.7 -2,-0.4 2,-0.3 -0.979 15.7-155.3-140.5 156.3 24.6 -18.3 29.5 59 60 A V E -BC 46 83B 0 -13,-2.4 -13,-2.1 -2,-0.3 2,-0.3 -0.930 13.3-179.6-126.8 151.1 27.0 -20.5 31.5 60 61 A M E -BC 45 82B 0 22,-1.5 22,-3.2 -2,-0.3 2,-0.3 -0.994 15.6-178.3-145.8 145.0 30.5 -21.7 30.6 61 62 A N E + 0 0 59 -17,-2.4 19,-0.2 -2,-0.3 -2,-0.0 -0.840 7.9 178.6-142.8 110.1 33.2 -23.8 32.2 62 63 A V E - C 0 79B 9 17,-3.2 17,-4.4 -2,-0.3 2,-0.1 -0.944 16.0-158.7-110.8 108.7 36.4 -24.2 30.2 63 64 A P 0 0 82 0, 0.0 -2,-0.0 0, 0.0 -19,-0.0 -0.459 360.0 360.0 -82.3 159.3 38.9 -26.3 32.1 64 65 A E 0 0 202 -2,-0.1 0, 0.0 14,-0.1 0, 0.0 0.977 360.0 360.0 -71.7 360.0 42.7 -26.2 31.5 65 ! 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 66 74 A E 0 0 109 0, 0.0 5,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 96.6 47.3 -23.3 19.7 67 75 A N + 0 0 112 3,-0.1 3,-0.1 1,-0.0 4,-0.0 0.062 360.0 78.8-107.0 10.7 50.1 -21.8 17.7 68 76 A V S S+ 0 0 63 1,-0.1 2,-0.4 2,-0.0 30,-0.1 0.526 95.9 49.0 -86.4 -13.5 47.1 -20.5 15.7 69 77 A E S S- 0 0 16 28,-0.1 2,-0.3 48,-0.0 -1,-0.1 -0.991 80.7-128.8-126.7 140.2 46.6 -17.8 18.4 70 78 A D - 0 0 125 -2,-0.4 2,-0.8 -3,-0.1 67,-0.2 -0.679 30.0-123.9 -74.9 135.5 49.0 -15.4 20.1 71 79 A K - 0 0 127 -2,-0.3 2,-0.4 -5,-0.1 -1,-0.0 -0.770 30.6-153.4 -83.1 110.7 48.6 -15.6 23.8 72 80 A I > - 0 0 54 -2,-0.8 3,-1.5 1,-0.1 64,-0.0 -0.672 18.8-108.4 -90.2 134.6 47.8 -12.0 24.9 73 81 A E T 3 S+ 0 0 148 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.320 99.6 17.4 -60.0 139.9 48.7 -10.7 28.3 74 82 A G T 3 S+ 0 0 46 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.434 96.1 110.3 80.5 3.8 45.8 -10.2 30.6 75 83 A Y < - 0 0 49 -3,-1.5 2,-0.3 58,-0.1 60,-0.2 -0.924 67.8-120.8-107.5 136.2 43.2 -12.3 28.7 76 84 A E B -d 135 0B 97 58,-2.8 60,-3.0 -2,-0.4 64,-0.3 -0.556 19.6-171.5 -77.7 135.7 41.9 -15.6 30.1 77 85 A L S S- 0 0 62 -2,-0.3 62,-1.1 58,-0.2 61,-0.5 0.649 72.1 -5.0 -94.3 -24.5 42.4 -18.8 28.0 78 86 A Y S S+ 0 0 100 60,-0.1 2,-0.2 61,-0.1 -1,-0.1 -0.890 77.1 102.3-151.0 179.2 40.2 -21.0 30.2 79 87 A G E +C 62 0B 16 -17,-4.4 -17,-3.2 -2,-0.3 3,-0.2 -0.692 29.5 77.3 133.9-172.2 38.2 -21.1 33.4 80 88 A G E - 0 0 38 1,-0.3 -19,-0.2 -19,-0.2 2,-0.1 -0.846 57.7-128.6 135.9-173.8 34.9 -21.0 35.2 81 89 A P E - 0 0 94 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.426 60.0-172.6 -73.1 143.2 32.3 -21.7 36.2 82 90 A Y E -C 60 0B 44 -22,-3.2 -22,-1.5 -3,-0.2 2,-0.5 -0.926 21.4-169.5-111.8 131.7 30.9 -18.6 34.5 83 91 A C E -C 59 0B 12 -2,-0.4 2,-0.5 -24,-0.2 -24,-0.2 -0.992 17.1-178.5-111.2 118.5 27.3 -17.1 34.9 84 92 A I E +C 58 0B 0 -26,-2.7 -26,-2.4 -2,-0.5 2,-0.4 -0.976 2.0 179.7-126.4 111.5 27.0 -14.4 32.2 85 93 A I E +CE 57 124B 0 39,-1.9 39,-2.3 -2,-0.5 -28,-0.2 -0.909 66.5 2.2-118.0 143.8 23.8 -12.5 32.0 86 94 A N E S- 0 0 21 -30,-2.5 -1,-0.2 -2,-0.4 -29,-0.1 0.895 84.1-155.8 49.1 46.6 22.9 -9.7 29.6 87 95 A P E - 0 0 12 0, 0.0 2,-0.4 0, 0.0 36,-0.2 -0.237 11.1-167.3 -55.1 136.1 26.3 -10.0 27.9 88 96 A K E - E 0 122B 100 34,-2.8 34,-3.2 -3,-0.1 2,-0.6 -0.988 17.8-135.3-126.5 120.6 27.4 -6.9 26.1 89 97 A I E + E 0 121B 63 -2,-0.4 32,-0.2 32,-0.2 3,-0.1 -0.653 30.7 167.5 -74.7 114.7 30.3 -7.0 23.6 90 98 A V E + 0 0 26 30,-2.2 2,-0.3 -2,-0.6 31,-0.2 0.499 65.4 14.6-108.1 -7.3 32.6 -4.0 24.4 91 99 A D E - E 0 120B 42 29,-1.4 29,-2.6 181,-0.1 2,-0.4 -0.931 60.6-175.1-163.2 145.0 35.7 -5.1 22.3 92 100 A I E - E 0 119B 17 -2,-0.3 181,-0.2 181,-0.3 27,-0.2 -0.997 25.5-118.6-150.2 134.6 36.4 -7.6 19.6 93 101 A S - 0 0 12 25,-2.5 -2,-0.0 -2,-0.4 27,-0.0 -0.419 6.1-150.6 -70.9 146.8 39.6 -8.6 17.8 94 102 A Q S S+ 0 0 92 22,-0.1 2,-0.1 -2,-0.1 -1,-0.1 0.772 79.0 87.7 -84.1 -30.3 40.0 -8.2 14.1 95 103 A E - 0 0 94 21,-0.1 22,-2.4 1,-0.0 23,-0.4 -0.491 67.6-168.2 -64.7 139.6 42.3 -11.2 14.0 96 104 A K E -G 116 0C 106 20,-0.3 2,-0.3 -2,-0.1 -2,-0.1 -0.668 10.9-152.8-125.2 174.2 40.3 -14.4 13.6 97 105 A V E -G 115 0C 12 18,-2.3 18,-2.0 -2,-0.2 2,-0.6 -0.990 16.7-126.7-154.4 147.5 40.9 -18.1 13.8 98 106 A K E +G 114 0C 136 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.876 41.1 162.8 -98.7 116.7 39.4 -21.3 12.4 99 107 A L E -G 113 0C 20 14,-2.4 14,-2.6 -2,-0.6 2,-0.3 -0.943 40.5-104.9-136.3 156.0 38.5 -23.9 15.1 100 108 A K E -G 112 0C 95 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.630 41.0-171.1 -81.5 132.2 36.3 -27.0 15.5 101 109 A E E -G 111 0C 10 10,-2.7 10,-1.6 -2,-0.3 2,-0.2 -0.928 13.0-175.3-126.4 151.9 33.0 -26.5 17.4 102 110 A G - 0 0 24 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.690 7.5-158.2-127.4-177.8 30.3 -28.7 18.8 103 111 A C > - 0 0 15 3,-0.3 3,-1.9 6,-0.3 6,-0.3 -0.875 25.1-135.9-168.2 131.4 26.9 -27.9 20.4 104 112 A L T 3 S+ 0 0 40 -59,-0.3 -99,-0.1 1,-0.3 -1,-0.1 0.673 110.3 57.6 -63.5 -18.2 24.6 -29.8 22.6 105 113 A S T 3 S+ 0 0 0 1,-0.2 -97,-2.4 -98,-0.1 -1,-0.3 0.485 111.1 44.0 -88.2 -8.1 21.7 -28.7 20.4 106 114 A V S X S- 0 0 1 -3,-1.9 3,-1.6 -99,-0.2 -3,-0.3 -0.515 89.5-167.5-127.2 62.0 23.4 -30.3 17.5 107 115 A P T 3 + 0 0 47 0, 0.0 67,-0.1 0, 0.0 -3,-0.1 -0.240 66.4 16.7 -62.9 136.9 24.5 -33.6 19.1 108 116 A G T 3 S+ 0 0 40 1,-0.2 2,-0.4 -5,-0.0 -4,-0.1 0.405 102.6 102.7 88.9 -0.7 27.0 -35.7 17.1 109 117 A Y < + 0 0 23 -3,-1.6 -6,-0.3 -6,-0.3 2,-0.3 -0.968 38.2 169.5-127.5 133.7 28.2 -33.0 14.8 110 118 A F + 0 0 120 -2,-0.4 2,-0.3 -8,-0.1 -8,-0.2 -0.970 6.7 159.3-135.2 145.7 31.3 -30.9 14.7 111 119 A D E -G 101 0C 22 -10,-1.6 -10,-2.7 -2,-0.3 2,-0.4 -0.976 41.2 -86.3-160.5 170.9 32.8 -28.6 12.1 112 120 A Y E -G 100 0C 112 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.694 39.3-178.0 -93.7 133.3 35.3 -25.7 11.6 113 121 A I E -G 99 0C 5 -14,-2.6 -14,-2.4 -2,-0.4 2,-0.5 -0.968 22.2-135.0-130.8 138.5 34.1 -22.1 12.2 114 122 A V E +G 98 0C 81 -2,-0.4 -16,-0.2 -16,-0.2 3,-0.0 -0.878 39.0 153.5 -96.3 122.7 36.0 -18.9 11.7 115 123 A R E -G 97 0C 12 -18,-2.0 -18,-2.3 -2,-0.5 26,-0.1 -0.955 50.6 -76.4-139.7 162.8 35.5 -16.4 14.6 116 124 A P E -G 96 0C 27 0, 0.0 -20,-0.3 0, 0.0 28,-0.1 -0.225 38.3-131.3 -55.6 148.2 37.4 -13.5 16.2 117 125 A Q S S+ 0 0 20 -22,-2.4 20,-0.4 1,-0.1 2,-0.3 0.825 82.7 24.3 -73.7 -32.4 40.3 -14.7 18.5 118 126 A R - 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