==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-DEC-12 3ZF1 . COMPND 2 MOLECULE: DUTPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS PHAGE 80ALPHA; . AUTHOR M.A.TORMO-MAS,J.DONDERIS,M.GARCIA-CABALLER,A.ALT,I.MIR-SANCH . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 56.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 28.4 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 . 1 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 . 23 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.6 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.8 -11.7 23.9 45.6 2 3 A N + 0 0 149 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.186 360.0 91.9 -99.1 35.0 -13.3 20.7 44.4 3 4 A T - 0 0 118 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.964 67.5-140.7-128.3 148.5 -11.6 21.3 41.1 4 5 A L - 0 0 54 -2,-0.3 2,-0.5 48,-0.1 48,-0.1 -0.917 18.1-127.8-110.4 136.3 -8.3 20.1 39.8 5 6 A Q E -A 51 0A 139 46,-0.5 46,-1.7 -2,-0.4 2,-0.4 -0.697 27.2-175.0 -85.1 125.9 -5.9 22.2 37.7 6 7 A V E -A 50 0A 51 -2,-0.5 2,-0.4 44,-0.2 44,-0.2 -0.980 4.5-167.4-124.3 133.6 -4.8 20.7 34.4 7 8 A K E -A 49 0A 133 42,-3.0 42,-2.7 -2,-0.4 2,-0.4 -0.981 13.0-144.3-124.8 129.3 -2.2 22.2 32.0 8 9 A L E -A 48 0A 77 -2,-0.4 40,-0.2 40,-0.2 39,-0.1 -0.771 8.2-167.9 -88.8 134.5 -1.4 21.1 28.5 9 10 A L + 0 0 74 38,-3.0 2,-0.3 -2,-0.4 39,-0.1 0.536 66.4 6.1-102.0 -10.1 2.2 21.4 27.5 10 11 A S S > S- 0 0 42 37,-0.6 3,-0.6 1,-0.0 -1,-0.1 -0.930 77.2 -97.4-156.1 178.2 1.9 20.9 23.8 11 12 A K T 3 S+ 0 0 193 -2,-0.3 -1,-0.0 1,-0.2 36,-0.0 0.706 118.6 62.0 -73.3 -23.0 -0.5 20.5 20.8 12 13 A N T 3 S+ 0 0 55 19,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.542 84.2 99.9 -81.3 -9.8 -0.0 16.7 21.1 13 14 A A < - 0 0 12 -3,-0.6 2,-0.4 34,-0.2 34,-0.1 -0.572 59.5-153.1 -81.6 140.6 -1.5 16.6 24.6 14 15 A R - 0 0 102 32,-0.4 15,-0.3 15,-0.3 3,-0.1 -0.893 23.0-107.4-114.3 145.9 -5.1 15.5 25.3 15 16 A M - 0 0 86 -2,-0.4 12,-0.1 1,-0.1 33,-0.0 -0.539 40.6-109.7 -70.8 127.2 -7.3 16.5 28.2 16 17 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.219 35.7-145.8 -54.4 147.2 -7.9 13.7 30.7 17 18 A E B -B 27 0B 61 10,-0.8 10,-2.7 -3,-0.1 2,-0.4 -0.977 28.4-178.4-130.1 129.5 -11.4 12.3 30.8 18 19 A R + 0 0 109 -2,-0.4 8,-0.1 8,-0.2 5,-0.0 -0.718 18.0 173.5-117.3 75.0 -13.7 10.9 33.5 19 20 A N + 0 0 96 -2,-0.4 2,-0.4 2,-0.1 -1,-0.1 0.810 63.0 45.2 -55.1 -38.6 -16.6 10.0 31.2 20 21 A H - 0 0 107 -3,-0.1 3,-0.5 1,-0.1 -3,-0.0 -0.871 67.1-145.2-109.9 143.1 -18.6 8.3 34.0 21 22 A K S S+ 0 0 63 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.509 104.6 67.9 -74.7 -7.1 -19.3 9.5 37.5 22 23 A T S S+ 0 0 131 -4,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.804 84.3 89.3 -76.6 -35.2 -19.0 5.7 38.2 23 24 A D - 0 0 66 -3,-0.5 -5,-0.0 1,-0.1 0, 0.0 -0.315 63.2-154.3 -71.7 148.1 -15.3 5.7 37.4 24 25 A A S S+ 0 0 82 -2,-0.1 115,-0.4 114,-0.0 2,-0.1 0.719 70.8 44.0 -91.5 -26.6 -12.6 6.3 40.0 25 26 A G S S- 0 0 3 113,-0.1 2,-0.4 -8,-0.1 113,-0.2 -0.463 75.8-109.8-117.6-176.5 -9.8 7.6 37.7 26 27 A Y E - C 0 137B 78 111,-1.5 111,-2.3 -2,-0.1 2,-0.2 -0.978 35.8-114.5-121.4 125.7 -9.0 9.9 34.8 27 28 A D E -BC 17 136B 10 -10,-2.7 -10,-0.8 -2,-0.4 2,-0.5 -0.388 29.9-154.4 -62.1 120.2 -8.1 8.6 31.3 28 29 A I E - C 0 135B 4 107,-2.7 106,-1.5 -2,-0.2 107,-1.4 -0.866 7.2-156.1-103.0 129.2 -4.5 9.5 30.5 29 30 A F E - C 0 133B 4 -2,-0.5 -15,-0.3 -15,-0.3 2,-0.2 -0.801 17.7-115.1-107.6 143.7 -3.5 9.7 26.8 30 31 A S - 0 0 1 102,-1.5 101,-3.1 -2,-0.3 16,-0.2 -0.527 13.6-164.9 -72.6 138.9 -0.0 9.3 25.2 31 32 A A S S+ 0 0 7 14,-2.3 2,-0.3 -2,-0.2 99,-0.2 0.258 72.1 67.6-100.1 7.2 1.5 12.4 23.5 32 33 A E - 0 0 51 13,-0.3 2,-0.5 97,-0.2 99,-0.1 -0.845 67.6-143.4-126.1 158.0 4.0 10.2 21.8 33 34 A T + 0 0 84 -2,-0.3 2,-0.3 96,-0.2 96,-0.2 -0.972 39.3 160.4-119.1 111.5 4.2 7.4 19.2 34 35 A V E -F 128 0C 38 94,-1.8 94,-2.6 -2,-0.5 2,-0.5 -0.962 35.9-139.2-134.6 150.0 6.9 4.9 20.2 35 36 A V E -F 127 0C 58 -2,-0.3 2,-0.6 92,-0.2 92,-0.2 -0.948 19.1-157.1-109.0 120.9 7.8 1.3 19.4 36 37 A L E -F 126 0C 2 90,-3.0 90,-2.2 -2,-0.5 3,-0.1 -0.882 4.5-155.4-103.6 115.9 8.9 -0.8 22.4 37 38 A E > - 0 0 88 -2,-0.6 3,-2.0 88,-0.2 56,-0.3 -0.375 45.0 -67.6 -76.6 162.1 11.1 -3.9 21.8 38 39 A P T 3 S+ 0 0 6 0, 0.0 56,-0.2 0, 0.0 -1,-0.2 -0.254 122.6 6.7 -52.1 136.9 11.1 -6.8 24.2 39 40 A Q T 3 S+ 0 0 85 54,-2.3 2,-0.2 56,-0.7 55,-0.1 0.363 97.1 141.8 69.7 -2.8 12.7 -5.9 27.6 40 41 A E < - 0 0 74 -3,-2.0 53,-2.3 53,-0.2 2,-0.3 -0.483 37.6-153.3 -76.4 137.1 12.9 -2.3 26.5 41 42 A K E +I 92 0D 135 51,-0.2 2,-0.3 -2,-0.2 51,-0.2 -0.815 20.4 161.4-108.6 149.3 12.2 0.5 29.1 42 43 A A E -I 91 0D 28 49,-2.1 49,-2.4 -2,-0.3 2,-0.6 -0.988 37.5-130.2-159.2 159.0 10.9 4.0 28.5 43 44 A V E -I 90 0D 96 -2,-0.3 2,-0.5 47,-0.2 47,-0.2 -0.954 30.8-147.9-115.2 108.5 9.2 7.0 30.0 44 45 A I E -I 89 0D 0 45,-2.1 45,-1.5 -2,-0.6 2,-0.3 -0.643 10.7-132.5 -83.0 123.7 6.2 8.1 27.8 45 46 A K E +I 88 0D 102 -2,-0.5 -14,-2.3 43,-0.2 -13,-0.3 -0.572 23.5 179.7 -75.2 132.0 5.4 11.8 27.7 46 47 A T - 0 0 0 41,-1.4 -32,-0.4 -2,-0.3 -1,-0.1 0.565 33.2-139.1 -99.2 -16.7 1.8 12.8 28.2 47 48 A D + 0 0 15 40,-0.3 -38,-3.0 1,-0.2 -37,-0.6 0.829 63.0 123.0 54.3 37.7 2.6 16.5 27.9 48 49 A V E -A 8 0A 5 39,-0.3 39,-2.5 -40,-0.2 2,-0.4 -0.971 44.8-163.4-128.1 139.7 0.2 17.1 30.8 49 50 A A E -A 7 0A 5 -42,-2.7 -42,-3.0 -2,-0.4 2,-0.3 -0.984 4.6-166.6-125.4 137.7 0.7 18.8 34.1 50 51 A V E -A 6 0A 3 35,-0.4 2,-0.7 -2,-0.4 32,-0.2 -0.940 16.1-147.7-123.8 145.8 -1.5 18.6 37.2 51 52 A S E -A 5 0A 29 -46,-1.7 -46,-0.5 -2,-0.3 33,-0.1 -0.732 20.8-169.9-112.8 80.2 -1.5 20.7 40.4 52 53 A I - 0 0 4 -2,-0.7 3,-0.1 31,-0.3 31,-0.1 -0.548 22.1-124.5 -71.4 127.0 -2.6 18.3 43.2 53 54 A P > - 0 0 67 0, 0.0 3,-0.8 0, 0.0 29,-0.1 -0.326 37.1 -82.7 -70.5 157.4 -3.3 20.1 46.4 54 55 A E T 3 S+ 0 0 175 1,-0.2 3,-0.1 27,-0.1 28,-0.1 -0.230 112.9 44.4 -61.9 148.5 -1.6 19.2 49.7 55 56 A G T 3 S+ 0 0 27 1,-0.3 87,-2.2 -3,-0.1 2,-0.3 0.456 102.7 84.8 93.4 4.9 -3.0 16.2 51.6 56 57 A Y E < -D 141 0B 104 -3,-0.8 25,-0.4 85,-0.3 2,-0.4 -0.961 58.2-155.7-135.4 152.1 -3.4 14.2 48.5 57 58 A V E -D 140 0B 21 83,-2.9 83,-3.0 -2,-0.3 2,-0.4 -0.973 15.8-136.6-123.6 144.4 -1.3 11.9 46.3 58 59 A G E -DE 139 79B 0 21,-2.4 21,-3.6 -2,-0.4 2,-0.7 -0.842 8.6-154.2 -99.0 136.7 -1.8 11.1 42.6 59 60 A L E -DE 138 78B 53 79,-2.8 79,-2.0 -2,-0.4 2,-1.4 -0.883 2.3-164.7-113.2 98.9 -1.5 7.5 41.3 60 61 A L E +DE 137 77B 4 17,-2.5 17,-2.1 -2,-0.7 77,-0.2 -0.693 36.8 165.1 -80.8 93.4 -0.6 7.4 37.6 61 62 A T E -D 136 0B 29 75,-2.7 75,-2.9 -2,-1.4 14,-0.1 -0.598 35.6 -86.8-119.9 171.5 -1.5 3.8 37.2 62 63 A S E -D 135 0B 35 12,-0.3 2,-0.3 73,-0.2 73,-0.2 -0.347 32.6-121.4 -77.9 151.7 -2.2 1.1 34.6 63 64 A R > - 0 0 77 71,-0.8 4,-1.7 1,-0.1 5,-0.1 -0.651 18.0-132.0 -83.3 149.5 -5.5 0.2 32.8 64 65 A S H > S+ 0 0 98 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.818 102.8 55.9 -72.8 -33.3 -6.7 -3.3 33.2 65 66 A G H > S+ 0 0 30 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.891 112.9 39.2 -66.1 -43.3 -7.4 -3.8 29.5 66 67 A V H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 6,-0.4 0.870 117.3 48.5 -76.1 -38.3 -3.9 -3.0 28.4 67 68 A S H < S+ 0 0 53 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.797 113.5 45.6 -75.5 -30.2 -2.0 -4.7 31.2 68 69 A S H < S+ 0 0 97 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.782 120.7 38.6 -81.6 -28.2 -4.0 -8.0 31.0 69 70 A K H < S+ 0 0 108 -4,-1.0 2,-0.2 -5,-0.2 -2,-0.2 0.821 117.7 40.6 -92.5 -37.0 -3.7 -8.2 27.2 70 71 A T S < S- 0 0 10 -4,-2.1 38,-0.1 38,-0.2 37,-0.0 -0.676 78.0-118.7-112.3 165.7 -0.2 -7.0 26.5 71 72 A H S S+ 0 0 90 -2,-0.2 23,-2.8 53,-0.1 2,-0.7 0.279 72.5 127.8 -83.4 9.9 3.2 -7.4 28.1 72 73 A L E -J 93 0D 5 -6,-0.4 2,-0.6 21,-0.2 21,-0.2 -0.596 43.3-165.8 -71.8 109.8 3.3 -3.7 28.7 73 74 A V E -J 92 0D 70 19,-3.3 19,-1.6 -2,-0.7 2,-0.6 -0.892 4.2-162.8-105.7 118.8 4.0 -3.2 32.4 74 75 A I E -J 91 0D 17 -2,-0.6 2,-0.7 17,-0.2 -12,-0.3 -0.902 12.3-144.1-103.6 117.0 3.4 0.2 33.9 75 76 A E - 0 0 113 15,-2.4 15,-0.4 -2,-0.6 -15,-0.1 -0.726 33.2-114.2 -78.1 112.0 5.0 1.0 37.3 76 77 A T - 0 0 42 -2,-0.7 2,-0.4 1,-0.1 -15,-0.2 -0.211 29.9-141.6 -51.4 127.4 2.5 3.1 39.1 77 78 A G E -E 60 0B 26 -17,-2.1 -17,-2.5 11,-0.1 2,-0.9 -0.804 3.0-138.1 -97.6 136.3 3.8 6.7 39.7 78 79 A K E -E 59 0B 123 -2,-0.4 2,-0.8 -19,-0.2 -19,-0.2 -0.817 17.9-150.7 -94.7 102.6 3.2 8.6 42.9 79 80 A I E -E 58 0B 16 -21,-3.6 -21,-2.4 -2,-0.9 2,-0.1 -0.646 14.9-137.5 -79.7 109.0 2.3 12.2 41.9 80 81 A N > - 0 0 117 -2,-0.8 3,-1.9 -23,-0.2 2,-1.2 -0.388 22.8-106.0 -67.4 140.3 3.4 14.5 44.7 81 82 A A T 3 S+ 0 0 40 -25,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.546 111.9 28.6 -70.4 96.0 1.1 17.3 45.7 82 83 A G T 3 S+ 0 0 39 -2,-1.2 2,-0.5 1,-0.3 -1,-0.3 0.129 81.3 128.8 136.9 -18.4 3.0 20.3 44.2 83 84 A Y < + 0 0 114 -3,-1.9 -1,-0.3 1,-0.1 -33,-0.3 -0.570 26.5 174.7 -69.2 117.0 4.8 18.7 41.2 84 85 A H + 0 0 116 -2,-0.5 -1,-0.1 -35,-0.1 3,-0.1 0.177 41.2 108.9-111.2 14.5 4.0 20.8 38.2 85 86 A G S S- 0 0 26 1,-0.2 -35,-0.4 -35,-0.1 2,-0.3 -0.105 81.9 -61.4 -82.6-177.5 6.2 19.0 35.7 86 87 A N - 0 0 47 -37,-0.1 2,-0.6 1,-0.1 -37,-0.2 -0.512 51.0-124.1 -69.3 124.8 5.4 16.7 32.8 87 88 A L - 0 0 2 -39,-2.5 -41,-1.4 -2,-0.3 -40,-0.3 -0.613 33.4-164.9 -70.7 114.4 3.6 13.5 33.8 88 89 A G E -I 45 0D 31 -2,-0.6 2,-0.6 -43,-0.2 -43,-0.2 -0.677 17.2-132.0 -99.2 156.5 5.6 10.6 32.5 89 90 A I E -I 44 0D 1 -45,-1.5 -45,-2.1 -2,-0.2 2,-1.2 -0.927 13.7-146.5-112.1 108.3 4.6 7.0 32.2 90 91 A N E +I 43 0D 72 -2,-0.6 -15,-2.4 -15,-0.4 2,-0.3 -0.610 37.9 167.8 -75.1 97.3 7.1 4.6 33.6 91 92 A I E -IJ 42 74D 3 -49,-2.4 -49,-2.1 -2,-1.2 2,-0.3 -0.788 25.0-175.0-121.0 154.5 6.7 1.6 31.2 92 93 A K E -IJ 41 73D 61 -19,-1.6 -19,-3.3 -2,-0.3 2,-1.1 -0.960 26.1-135.3-148.1 130.0 8.5 -1.6 30.3 93 94 A N E - J 0 72D 0 -53,-2.3 -54,-2.3 -2,-0.3 -21,-0.2 -0.759 24.2-171.7 -81.3 99.8 7.7 -4.2 27.6 94 95 A D + 0 0 78 -23,-2.8 -1,-0.1 -2,-1.1 -22,-0.1 0.338 41.3 123.7 -83.5 7.0 8.1 -7.3 29.7 95 96 A H S S- 0 0 33 29,-0.2 -56,-0.7 -24,-0.1 -55,-0.1 -0.422 70.2-108.2 -61.5 142.1 7.9 -9.6 26.7 96 97 A E - 0 0 127 -58,-0.2 2,-1.2 1,-0.1 -1,-0.1 -0.367 20.2-116.9 -81.0 157.4 11.0 -11.8 26.7 97 98 A D + 0 0 62 1,-0.1 -1,-0.1 -59,-0.1 27,-0.1 -0.714 41.8 165.2 -93.9 85.9 13.8 -11.3 24.1 98 99 A D - 0 0 56 -2,-1.2 -1,-0.1 25,-0.3 3,-0.1 0.204 50.2-121.3 -90.6 14.4 13.7 -14.7 22.4 99 100 A K S S+ 0 0 160 1,-0.2 -1,-0.1 24,-0.1 -2,-0.1 0.228 71.7 128.9 67.1 -14.8 15.7 -13.4 19.4 100 101 A M - 0 0 116 23,-0.1 23,-2.6 22,-0.1 2,-0.3 -0.298 46.0-146.4 -69.2 155.2 12.9 -14.3 17.0 101 102 A Q E -K 122 0E 134 21,-0.3 2,-0.3 -3,-0.1 21,-0.3 -0.940 12.0-169.4-129.5 147.9 11.5 -11.8 14.4 102 103 A T E -K 121 0E 27 19,-3.2 19,-2.7 -2,-0.3 3,-0.0 -0.923 30.4-125.5-134.6 158.9 8.1 -11.0 12.9 103 104 A I S S+ 0 0 67 -2,-0.3 16,-0.7 17,-0.2 2,-0.3 0.504 93.1 42.7 -84.5 -4.9 6.8 -8.9 10.0 104 105 A F - 0 0 47 17,-0.1 21,-0.1 14,-0.1 -1,-0.1 -0.987 65.9-147.5-145.9 135.7 4.3 -7.0 12.2 105 106 A L - 0 0 2 -2,-0.3 8,-2.5 8,-0.3 2,-0.3 -0.387 28.3-119.5 -84.3 171.6 4.3 -5.4 15.7 106 107 A R B -Gh 112 126C 62 19,-2.2 21,-1.6 6,-0.2 6,-0.2 -0.890 14.5-125.8-124.9 150.4 1.1 -5.3 17.9 107 108 A N > - 0 0 30 4,-2.3 3,-1.9 -2,-0.3 21,-0.1 -0.003 43.5 -84.3 -80.4-175.1 -1.1 -2.6 19.4 108 109 A I T 3 S+ 0 0 14 19,-0.3 -38,-0.2 1,-0.3 -39,-0.2 0.379 130.2 57.9 -75.9 4.6 -2.2 -2.0 23.0 109 110 A D T 3 S- 0 0 74 2,-0.2 -1,-0.3 -40,-0.1 3,-0.1 0.188 116.6-116.8-109.0 10.3 -5.1 -4.4 22.3 110 111 A N S < S+ 0 0 52 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.529 70.5 139.4 65.1 10.3 -2.5 -7.1 21.5 111 112 A E - 0 0 123 1,-0.1 -4,-2.3 -5,-0.0 -1,-0.2 -0.626 60.6-103.9 -85.7 142.0 -3.8 -7.3 17.9 112 113 A K B -G 106 0C 93 -2,-0.3 2,-0.7 -6,-0.2 -6,-0.2 -0.430 29.1-137.1 -67.0 131.3 -1.4 -7.6 15.0 113 114 A I - 0 0 23 -8,-2.5 2,-0.4 -2,-0.2 -8,-0.3 -0.832 14.1-147.1 -95.7 111.6 -0.9 -4.3 13.0 114 115 A F - 0 0 164 -2,-0.7 2,-0.3 -10,-0.1 -10,-0.1 -0.637 17.0-162.2 -79.3 129.6 -0.9 -4.9 9.2 115 116 A E - 0 0 66 -2,-0.4 4,-0.0 -12,-0.2 -12,-0.0 -0.818 27.1-139.0-114.2 152.3 1.4 -2.6 7.3 116 117 A K S S+ 0 0 117 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.861 96.7 53.0 -71.6 -38.4 1.5 -1.6 3.6 117 118 A E S S- 0 0 51 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.843 92.2-121.8-100.7 134.9 5.3 -1.8 3.7 118 119 A R + 0 0 173 -2,-0.4 2,-0.3 -14,-0.0 -14,-0.1 -0.568 37.2 171.7 -76.5 136.2 7.0 -4.9 5.0 119 120 A H - 0 0 95 -16,-0.7 2,-0.7 -2,-0.3 -4,-0.1 -0.989 31.0-125.3-143.4 146.6 9.3 -4.4 8.0 120 121 A L + 0 0 103 -2,-0.3 2,-0.3 -19,-0.0 -17,-0.2 -0.846 33.7 172.5 -99.4 109.1 11.2 -6.8 10.3 121 122 A Y E -K 102 0E 48 -19,-2.7 -19,-3.2 -2,-0.7 2,-0.2 -0.766 38.4 -99.7-107.4 157.7 10.5 -6.3 14.0 122 123 A K E > -K 101 0E 61 -2,-0.3 3,-1.2 -21,-0.3 -21,-0.3 -0.550 51.5 -93.0 -74.6 142.3 11.5 -8.4 16.9 123 124 A L T 3 S+ 0 0 57 -23,-2.6 -25,-0.3 1,-0.2 -24,-0.1 -0.348 111.5 29.4 -63.2 128.4 8.8 -10.8 18.2 124 125 A G T 3 S+ 0 0 5 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.546 83.5 150.4 98.0 12.3 6.8 -9.3 21.1 125 126 A S < - 0 0 3 -3,-1.2 -19,-2.2 -21,-0.1 2,-0.3 -0.570 26.3-162.1 -79.7 138.7 7.2 -5.7 19.9 126 127 A Y E -Fh 36 106C 4 -90,-2.2 -90,-3.0 -2,-0.3 2,-0.4 -0.892 7.9-151.9-119.6 150.4 4.5 -3.2 20.8 127 128 A R E -F 35 0C 54 -21,-1.6 2,-0.5 -2,-0.3 -19,-0.3 -0.990 3.1-161.8-121.7 129.6 3.6 0.3 19.4 128 129 A I E -F 34 0C 1 -94,-2.6 -94,-1.8 -2,-0.4 2,-0.3 -0.931 18.3-150.9-104.9 132.1 1.9 3.0 21.4 129 130 A E > - 0 0 75 -2,-0.5 3,-1.2 -96,-0.2 -99,-0.3 -0.726 26.7 -84.2-109.1 155.4 0.3 5.7 19.3 130 131 A K T 3 S+ 0 0 112 -2,-0.3 -99,-0.2 1,-0.2 -97,-0.1 -0.316 112.7 17.4 -57.5 122.5 -0.4 9.4 19.9 131 132 A G T 3 S+ 0 0 29 -101,-3.1 2,-0.3 1,-0.3 -1,-0.2 0.713 89.9 144.8 88.5 25.2 -3.7 10.0 21.7 132 133 A E < - 0 0 45 -3,-1.2 -102,-1.5 -102,-0.2 2,-1.1 -0.754 56.5-117.1-100.4 143.0 -4.2 6.4 23.1 133 134 A R E +C 29 0B 83 -2,-0.3 -104,-0.2 -104,-0.2 3,-0.1 -0.646 58.5 138.4 -73.3 98.9 -5.7 5.4 26.4 134 135 A I E + 0 0 2 -106,-1.5 -71,-0.8 -2,-1.1 2,-0.3 0.607 62.2 19.7-118.4 -20.9 -2.7 3.7 28.1 135 136 A A E -CD 28 62B 0 -107,-1.4 -107,-2.7 -3,-0.2 2,-0.3 -0.856 59.8-144.2-140.8 173.1 -2.9 4.9 31.7 136 137 A Q E -CD 27 61B 55 -75,-2.9 -75,-2.7 -2,-0.3 2,-0.5 -0.994 12.9-133.7-143.4 150.5 -5.2 6.4 34.3 137 138 A L E -CD 26 60B 3 -111,-2.3 -111,-1.5 -2,-0.3 2,-0.5 -0.909 20.0-177.9-108.9 124.1 -4.9 8.9 37.2 138 139 A V E - D 0 59B 31 -79,-2.0 -79,-2.8 -2,-0.5 2,-0.5 -0.982 12.8-152.6-123.5 121.7 -6.3 8.2 40.6 139 140 A I E - D 0 58B 49 -2,-0.5 -81,-0.2 -115,-0.4 -2,-0.0 -0.826 16.6-177.7 -98.8 127.8 -6.1 10.8 43.4 140 141 A V E - D 0 57B 58 -83,-3.0 -83,-2.9 -2,-0.5 -85,-0.0 -0.974 28.0-111.9-129.1 134.8 -6.1 9.4 47.0 141 142 A P E - D 0 56B 90 0, 0.0 2,-0.3 0, 0.0 -85,-0.3 -0.298 35.6-155.5 -60.4 148.6 -6.0 11.3 50.4 142 143 A I - 0 0 76 -87,-2.2 2,-0.6 2,-0.0 0, 0.0 -0.961 15.8-139.7-133.3 149.0 -2.8 10.9 52.5 143 144 A W + 0 0 223 -2,-0.3 -87,-0.0 2,-0.0 -88,-0.0 -0.933 21.3 177.4-108.1 114.2 -1.8 11.1 56.2 144 145 A T + 0 0 103 -2,-0.6 2,-0.1 2,-0.0 -2,-0.0 -0.698 11.0 171.2-119.6 78.7 1.6 12.8 56.7 145 146 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.356 41.2 -91.1 -82.2 165.1 2.3 13.0 60.4 146 147 A E - 0 0 103 -2,-0.1 2,-0.4 1,-0.1 -2,-0.0 -0.529 44.5-118.4 -73.1 141.8 5.6 14.1 62.1 147 148 A L - 0 0 174 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.674 26.2-169.6 -88.6 134.3 8.0 11.2 62.8 148 149 A K - 0 0 85 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.963 21.9-130.6-126.4 113.8 9.0 10.5 66.4 149 150 A Q - 0 0 207 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.445 32.1-171.4 -64.5 125.6 11.8 8.0 67.1 150 151 A V - 0 0 86 -2,-0.2 3,-0.2 1,-0.1 -1,-0.0 -0.938 28.9-153.9-128.1 142.5 10.6 5.5 69.7 151 152 A E S S+ 0 0 189 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.760 89.6 5.0 -86.3 -29.8 12.5 2.8 71.7 152 153 A E S S- 0 0 169 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 -0.909 90.1-102.2-156.8 132.9 9.4 0.6 72.3 153 154 A F - 0 0 191 -2,-0.3 -2,-0.0 -3,-0.2 0, 0.0 0.021 33.3-103.4 -60.5 158.3 5.8 1.2 70.9 154 155 A E 0 0 193 1,-0.0 -1,-0.1 -4,-0.0 0, 0.0 0.863 360.0 360.0 -44.4 -54.6 2.9 2.6 72.8 155 156 A S 0 0 146 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.681 360.0 360.0-115.7 360.0 1.1 -0.7 73.3