==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAR-08 3COU . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE-LINKED MOIETY X MOTIF 16; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.TRESAUGUES,M.MOCHE,C.H.ARROWSMITH,H.BERGLUND,R.D.BUSAM, . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 3 A G 0 0 113 0, 0.0 98,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-156.1 53.8 51.8 9.0 2 4 A A - 0 0 30 96,-0.4 2,-0.5 1,-0.1 97,-0.3 0.769 360.0-152.2 -87.2 161.5 53.4 49.1 10.1 3 5 A R E -A 98 0A 139 95,-3.4 95,-2.5 -2,-0.1 2,-0.3 -0.776 19.2-123.4 -86.8 135.7 51.3 49.5 13.2 4 6 A R E -A 97 0A 126 -2,-0.5 2,-0.3 93,-0.2 93,-0.3 -0.557 30.2-169.0 -76.4 135.2 51.7 46.8 15.9 5 7 A L E -A 96 0A 7 91,-2.7 91,-0.8 -2,-0.3 2,-0.2 -0.931 24.5-114.0-120.2 146.7 48.5 44.9 16.9 6 8 A E > - 0 0 154 -2,-0.3 4,-2.5 89,-0.1 3,-0.2 -0.520 34.0-114.5 -67.7 149.7 47.7 42.6 19.8 7 9 A L H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 115.5 53.7 -57.8 -42.9 46.9 39.1 18.7 8 10 A G H > S+ 0 0 53 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.908 110.2 48.5 -60.4 -40.5 43.2 39.3 19.9 9 11 A E H >> S+ 0 0 90 2,-0.2 3,-0.7 1,-0.2 4,-0.6 0.929 111.6 48.6 -63.5 -47.8 42.8 42.4 17.9 10 12 A A H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.875 110.3 51.9 -58.5 -39.2 44.3 40.9 14.7 11 13 A L H 3< S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.640 104.1 58.8 -75.9 -14.9 42.1 37.7 15.2 12 14 A A H << S+ 0 0 82 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.604 80.4 117.1 -87.4 -14.0 39.0 40.0 15.4 13 15 A L S << S- 0 0 51 -3,-0.8 -3,-0.0 -4,-0.6 92,-0.0 -0.063 72.5 -92.9 -55.5 154.6 39.6 41.6 11.9 14 16 A G > - 0 0 44 1,-0.1 3,-2.6 2,-0.0 -1,-0.1 -0.192 34.3 -98.7 -73.6 164.7 36.9 41.0 9.3 15 17 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.582 118.0 68.6 -56.7 -15.0 36.8 38.3 6.6 16 18 A G T 3 S+ 0 0 30 2,-0.1 2,-0.3 88,-0.0 -1,-0.3 0.642 84.0 91.5 -77.0 -15.2 38.2 40.7 4.0 17 19 A W < - 0 0 70 -3,-2.6 2,-0.3 85,-0.1 87,-0.2 -0.621 66.1-151.5 -83.4 130.4 41.6 40.6 5.9 18 20 A R E -b 104 0A 128 85,-2.3 87,-2.3 -2,-0.3 2,-0.5 -0.770 8.5-142.5 -98.1 151.4 44.2 38.1 4.9 19 21 A H E -b 105 0A 30 41,-0.4 41,-2.9 -2,-0.3 2,-0.4 -0.973 13.3-168.8-116.1 127.4 46.7 36.8 7.5 20 22 A V E -bC 106 59A 11 85,-2.8 87,-3.6 -2,-0.5 2,-0.4 -0.947 5.3-161.2-115.1 141.2 50.3 36.1 6.6 21 23 A C E +bC 107 58A 0 37,-2.7 37,-2.3 -2,-0.4 2,-0.3 -0.976 9.8 177.7-127.1 131.7 52.7 34.2 9.0 22 24 A H E -bC 108 57A 43 85,-2.2 87,-2.0 -2,-0.4 2,-0.4 -0.954 11.5-151.2-130.3 155.3 56.5 34.1 9.0 23 25 A A E -b 109 0A 0 33,-2.2 2,-0.7 -2,-0.3 87,-0.2 -0.991 12.7-146.0-132.2 131.9 59.1 32.4 11.2 24 26 A L E -b 110 0A 1 85,-2.9 87,-2.9 -2,-0.4 2,-0.5 -0.885 25.2-160.6 -86.5 116.4 62.6 33.1 12.3 25 27 A L E +b 111 0A 0 -2,-0.7 19,-2.3 19,-0.5 2,-0.3 -0.869 18.9 166.4-101.6 131.7 64.2 29.7 12.7 26 28 A Y E -bD 112 43A 25 85,-2.2 87,-3.4 -2,-0.5 17,-0.2 -0.982 19.9-169.9-147.9 158.4 67.3 29.6 14.7 27 29 A A E - D 0 42A 0 15,-1.8 15,-2.9 -2,-0.3 87,-0.2 -0.994 36.6-100.4-146.3 141.1 69.7 27.2 16.5 28 30 A P E - D 0 41A 53 0, 0.0 13,-0.3 0, 0.0 87,-0.2 -0.319 38.2-165.2 -61.7 139.4 72.6 27.7 19.0 29 31 A D E - D 0 40A 18 11,-1.9 11,-0.6 2,-0.1 10,-0.1 -0.946 17.2-168.5-134.8 113.5 75.9 27.4 17.1 30 32 A P E + 0 0 109 0, 0.0 -1,-0.1 0, 0.0 11,-0.0 0.486 49.9 124.4 -82.4 -4.7 79.0 27.0 19.1 31 33 A G E - 0 0 24 7,-0.1 8,-2.4 1,-0.1 9,-0.5 -0.069 50.8-144.6 -56.9 155.9 81.2 27.7 16.0 32 34 A M E > - D 0 38A 101 6,-0.2 3,-1.5 7,-0.1 2,-0.3 -0.984 12.5-133.4-127.8 116.2 83.9 30.4 15.8 33 35 A L E >> S- D 0 37A 45 4,-3.4 4,-2.9 -2,-0.4 3,-2.6 -0.567 95.9 -2.7 -69.5 132.7 84.6 32.3 12.6 34 36 A F T 34 S- 0 0 145 1,-0.3 -1,-0.3 -2,-0.3 0, 0.0 0.793 125.9 -75.5 54.1 30.0 88.4 32.4 11.9 35 37 A G T <4 S+ 0 0 65 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.574 132.1 60.1 60.8 13.2 88.6 30.6 15.1 36 38 A R T <4 S+ 0 0 141 -3,-2.6 -2,-0.2 1,-0.2 -1,-0.1 0.593 77.0 79.8-143.3 -17.6 87.9 33.7 17.1 37 39 A I E < S-D 33 0A 17 -4,-2.9 -4,-3.4 107,-0.0 2,-0.2 -0.874 75.3-128.9-103.3 114.2 84.6 35.3 16.3 38 40 A P E -D 32 0A 65 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.451 12.8-162.5 -63.4 127.8 81.6 33.7 18.0 39 41 A L E - 0 0 44 -8,-2.4 2,-2.6 -2,-0.2 104,-0.2 0.824 17.8-178.0 -71.7 -36.7 78.8 32.7 15.6 40 42 A R E +D 29 0A 114 -11,-0.6 -11,-1.9 -9,-0.5 2,-0.3 -0.317 58.3 14.9 73.2 -61.3 76.4 32.4 18.6 41 43 A Y E -D 28 0A 51 -2,-2.6 2,-0.6 -13,-0.3 102,-0.2 -0.993 63.1-132.2-143.0 148.3 73.3 31.3 16.5 42 44 A A E -D 27 0A 1 -15,-2.9 -15,-1.8 -2,-0.3 2,-0.4 -0.918 34.9-179.1 -95.2 118.1 72.4 30.1 13.1 43 45 A I E -D 26 0A 0 -2,-0.6 98,-1.9 98,-0.3 2,-0.4 -0.987 14.7-141.0-124.3 126.4 69.5 32.2 11.9 44 46 A L E +F 140 0B 1 -19,-2.3 -19,-0.5 -2,-0.4 2,-0.3 -0.680 22.4 169.4 -98.1 132.4 67.8 31.7 8.6 45 47 A M E -F 139 0B 0 94,-3.0 94,-2.5 -2,-0.4 2,-0.4 -0.854 22.6-136.3-122.3 168.1 66.5 34.2 6.1 46 48 A Q E -FG 138 54B 4 8,-3.0 8,-2.2 -2,-0.3 2,-0.5 -0.993 9.8-132.2-129.0 128.2 65.3 33.6 2.5 47 49 A M E -FG 137 53B 62 90,-3.0 89,-3.6 -2,-0.4 90,-0.8 -0.697 34.6-147.4 -73.8 122.5 65.9 35.6 -0.7 48 50 A R E > -F 135 0B 59 4,-3.1 3,-2.4 -2,-0.5 87,-0.2 -0.499 26.6 -98.2 -93.9 164.1 62.5 36.1 -2.4 49 51 A F T 3 S+ 0 0 129 85,-2.1 86,-0.1 1,-0.3 -1,-0.1 0.711 120.5 59.2 -50.6 -28.3 61.5 36.3 -6.0 50 52 A D T 3 S- 0 0 51 84,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.324 120.3-103.2 -87.7 6.5 61.5 40.1 -5.8 51 53 A G S < S+ 0 0 40 -3,-2.4 2,-0.3 1,-0.3 109,-0.3 0.548 84.4 119.9 88.6 10.3 65.2 40.4 -4.8 52 54 A R - 0 0 114 -4,-0.2 -4,-3.1 107,-0.1 -1,-0.3 -0.826 61.3-124.6-109.7 144.7 64.3 41.1 -1.1 53 55 A L E +Gh 47 161B 6 107,-2.9 109,-2.8 -2,-0.3 2,-0.3 -0.639 44.6 142.2 -82.5 138.1 65.3 39.1 2.0 54 56 A G E -G 46 0B 1 -8,-2.2 -8,-3.0 -2,-0.3 109,-0.0 -0.881 46.5 -76.8-151.5-163.9 62.6 37.9 4.3 55 57 A F - 0 0 11 -2,-0.3 -31,-0.1 -10,-0.2 -10,-0.1 -0.792 47.8-100.5-105.1 150.5 61.5 35.1 6.5 56 58 A P S S+ 0 0 0 0, 0.0 -33,-2.2 0, 0.0 2,-0.3 -0.303 76.7 71.1 -67.9 150.3 59.9 31.8 5.4 57 59 A G E -C 22 0A 7 17,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.978 50.1-163.3 143.9-154.0 56.1 31.3 5.7 58 60 A G E -C 21 0A 10 -37,-2.3 -37,-2.7 -2,-0.3 2,-0.2 -0.981 37.0 -17.0 164.2-161.8 53.1 32.7 3.8 59 61 A F E -C 20 0A 72 -2,-0.3 -39,-0.3 -39,-0.2 2,-0.2 -0.468 49.0-128.9 -81.7 135.3 49.4 33.2 3.7 60 62 A V - 0 0 23 -41,-2.9 -41,-0.4 -2,-0.2 2,-0.2 -0.562 32.7-151.6 -67.7 136.0 46.8 31.5 5.9 61 63 A D > - 0 0 65 -2,-0.2 3,-1.5 -43,-0.1 9,-0.1 -0.581 29.1 -92.1-110.1-179.5 44.0 30.0 3.7 62 64 A T T 3 S+ 0 0 144 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.616 121.7 50.5 -72.8 -10.2 40.4 29.2 4.3 63 65 A Q T 3 S+ 0 0 168 3,-0.0 2,-0.5 7,-0.0 -1,-0.3 0.340 79.8 108.5-107.0 4.3 41.0 25.6 5.4 64 66 A D < - 0 0 29 -3,-1.5 3,-0.1 1,-0.1 -4,-0.0 -0.732 56.2-157.9 -75.6 126.0 43.7 26.4 8.0 65 67 A R S S+ 0 0 230 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.600 74.2 10.7 -77.4 -12.8 42.1 25.8 11.4 66 68 A S S > S- 0 0 39 1,-0.1 4,-2.1 -3,-0.0 5,-0.2 -0.973 78.0-107.5-158.8 154.9 44.6 28.0 13.1 67 69 A L H > S+ 0 0 12 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.884 121.8 53.1 -50.4 -42.4 47.4 30.6 12.3 68 70 A E H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.870 105.2 52.9 -69.7 -37.8 49.9 27.9 13.4 69 71 A D H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.956 112.3 45.9 -60.9 -46.4 48.4 25.3 11.0 70 72 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.935 113.0 50.1 -56.9 -47.7 48.8 27.8 8.1 71 73 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.937 112.5 45.4 -56.5 -54.8 52.3 28.7 9.2 72 74 A N H X S+ 0 0 3 -4,-2.6 4,-1.9 16,-0.2 -1,-0.2 0.893 112.5 51.8 -61.7 -37.2 53.5 25.1 9.4 73 75 A R H X S+ 0 0 58 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.945 113.7 43.5 -61.1 -50.0 51.8 24.3 6.0 74 76 A E H X S+ 0 0 31 -4,-2.6 4,-2.2 2,-0.2 -17,-0.3 0.870 110.4 55.4 -63.1 -40.1 53.5 27.2 4.3 75 77 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.889 109.1 48.6 -63.4 -36.8 56.9 26.5 6.0 76 78 A R H X S+ 0 0 85 -4,-1.9 4,-1.8 1,-0.2 53,-0.3 0.874 111.3 48.9 -75.4 -35.1 56.8 22.9 4.6 77 79 A E H < S+ 0 0 76 -4,-2.0 53,-1.4 1,-0.2 52,-0.5 0.882 118.7 39.8 -64.4 -37.9 55.9 24.1 1.1 78 80 A E H < S+ 0 0 14 -4,-2.2 -2,-0.2 51,-0.2 50,-0.2 0.888 130.1 24.8 -80.9 -42.4 58.7 26.7 1.1 79 81 A L H < S- 0 0 1 -4,-2.7 3,-0.4 1,-0.2 -3,-0.2 0.529 100.4-132.1-107.7 -15.5 61.4 24.6 2.9 80 82 A G >< - 0 0 14 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.2 -0.315 50.5 -30.7 89.0-167.4 60.5 21.0 2.2 81 83 A E G > S+ 0 0 181 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.695 120.4 70.0 -69.0 -21.0 60.3 17.9 4.3 82 84 A A G > S+ 0 0 21 -3,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.787 92.3 63.2 -64.6 -21.6 63.0 18.7 6.9 83 85 A A G X S+ 0 0 1 -3,-1.7 3,-1.0 1,-0.3 -1,-0.3 0.650 87.1 71.7 -74.7 -16.6 60.5 21.4 8.1 84 86 A A G < S+ 0 0 52 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.528 78.4 79.5 -77.7 -6.2 58.2 18.5 9.0 85 87 A A G < S+ 0 0 69 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.2 0.630 102.9 24.3 -68.1 -18.1 60.6 17.6 11.9 86 88 A F < - 0 0 13 -3,-1.0 2,-0.4 -4,-0.1 27,-0.0 -0.891 67.4-137.0-143.6 168.5 59.1 20.4 14.0 87 89 A R - 0 0 82 -2,-0.3 2,-0.5 -16,-0.0 -18,-0.1 -0.996 16.5-137.4-133.6 126.1 55.9 22.5 14.5 88 90 A V - 0 0 0 -2,-0.4 -16,-0.2 -20,-0.2 2,-0.2 -0.734 35.6-168.8 -76.7 129.8 55.9 26.2 15.2 89 91 A E > - 0 0 78 -2,-0.5 3,-1.9 -17,-0.0 4,-0.3 -0.623 39.0 -93.8-119.5 175.2 53.4 26.8 17.9 90 92 A R G > S+ 0 0 107 1,-0.3 3,-1.5 -2,-0.2 -2,-0.0 0.825 121.4 65.8 -62.2 -28.0 51.5 29.7 19.7 91 93 A T G 3 S+ 0 0 129 1,-0.2 -1,-0.3 18,-0.0 -3,-0.0 0.712 99.0 53.8 -63.6 -19.7 54.2 29.7 22.3 92 94 A D G < S+ 0 0 23 -3,-1.9 18,-2.4 17,-0.0 -1,-0.2 0.441 82.5 120.6 -88.5 -6.4 56.6 30.8 19.5 93 95 A Y E < + E 0 109A 46 -3,-1.5 16,-0.3 -4,-0.3 3,-0.1 -0.345 29.3 165.9 -63.6 134.5 54.3 33.8 18.5 94 96 A R E - 0 0 86 14,-3.0 2,-0.3 1,-0.4 15,-0.2 0.711 49.8 -19.0-119.0 -40.7 56.0 37.2 18.8 95 97 A S E - E 0 108A 3 13,-1.7 13,-3.2 -89,-0.1 -1,-0.4 -0.997 37.8-140.5-167.4 161.6 54.0 39.9 17.1 96 98 A S E -AE 5 107A 0 -91,-0.8 -91,-2.7 -2,-0.3 2,-0.3 -0.993 22.1-178.2-134.1 138.4 51.4 41.1 14.7 97 99 A H E -AE 4 106A 25 9,-2.0 9,-2.8 -2,-0.4 2,-0.4 -0.989 15.2-158.8-136.5 146.4 51.6 44.2 12.4 98 100 A V E -AE 3 105A 14 -95,-2.5 -95,-3.4 -2,-0.3 -96,-0.4 -0.994 15.0-166.7-120.8 125.5 49.3 46.0 9.8 99 101 A G - 0 0 36 5,-0.5 5,-0.2 -2,-0.4 2,-0.1 -0.330 34.6 -80.4 -92.0-176.7 50.9 48.2 7.2 100 102 A S S S+ 0 0 117 -2,-0.1 -1,-0.2 3,-0.1 0, 0.0 -0.439 95.7 22.6 -80.5 158.5 49.1 50.7 4.9 101 103 A G S S+ 0 0 69 -2,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.720 101.0 48.2 96.5-128.3 47.4 49.6 1.8 102 104 A P S S- 0 0 102 0, 0.0 2,-1.5 0, 0.0 -3,-0.2 -0.077 86.8-105.9 -53.4 148.9 46.2 46.0 1.3 103 105 A R S S+ 0 0 151 -87,-0.2 -85,-2.3 -5,-0.1 2,-0.4 -0.674 71.7 132.2 -73.7 86.5 44.2 44.3 4.1 104 106 A V E -b 18 0A 41 -2,-1.5 -5,-0.5 -87,-0.2 2,-0.4 -0.997 40.9-161.1-141.2 131.3 46.9 42.0 5.4 105 107 A V E -bE 19 98A 0 -87,-2.3 -85,-2.8 -2,-0.4 2,-0.6 -0.967 15.7-148.6-112.4 135.2 48.0 41.4 8.9 106 108 A A E -bE 20 97A 22 -9,-2.8 -9,-2.0 -2,-0.4 2,-0.4 -0.935 8.3-161.1-110.9 116.8 51.5 39.8 9.3 107 109 A H E -bE 21 96A 0 -87,-3.6 -85,-2.2 -2,-0.6 2,-0.4 -0.823 7.1-154.5 -99.6 139.4 52.2 37.5 12.2 108 110 A F E +bE 22 95A 4 -13,-3.2 -14,-3.0 -2,-0.4 -13,-1.7 -0.966 13.5 177.4-122.5 137.5 55.7 36.8 13.3 109 111 A Y E -bE 23 93A 0 -87,-2.0 -85,-2.9 -2,-0.4 2,-0.4 -0.909 16.7-151.8-132.0 154.8 57.1 33.8 15.2 110 112 A A E -b 24 0A 2 -18,-2.4 2,-0.5 -2,-0.3 -85,-0.2 -0.995 14.7-168.8-131.1 131.2 60.5 32.6 16.3 111 113 A K E -b 25 0A 44 -87,-2.9 -85,-2.2 -2,-0.4 2,-0.5 -0.965 15.3-138.5-129.6 121.2 61.3 28.9 16.7 112 114 A R E +b 26 0A 167 -2,-0.5 2,-0.3 -87,-0.2 -85,-0.2 -0.663 26.9 177.9 -74.5 126.2 64.3 27.3 18.3 113 115 A L - 0 0 4 -87,-3.4 2,-0.2 -2,-0.5 3,-0.0 -0.756 34.3-104.4-113.8 164.5 65.8 24.3 16.5 114 116 A T > - 0 0 76 -2,-0.3 4,-2.2 -87,-0.2 5,-0.2 -0.564 38.2-112.9 -76.9 158.8 68.8 22.1 17.2 115 117 A L H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 120.3 55.3 -64.2 -37.3 71.7 22.9 14.9 116 118 A E H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 108.0 47.9 -60.0 -42.1 71.2 19.5 13.3 117 119 A E H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 112.8 48.6 -61.8 -43.8 67.5 20.3 12.5 118 120 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.922 110.7 49.8 -62.4 -47.0 68.5 23.7 11.1 119 121 A L H X S+ 0 0 64 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.902 108.5 54.5 -60.9 -39.5 71.3 22.1 8.9 120 122 A A H X S+ 0 0 46 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.896 107.9 49.3 -60.0 -46.5 68.6 19.6 7.7 121 123 A V H >X S+ 0 0 0 -4,-1.8 4,-0.9 -39,-0.2 3,-0.5 0.949 113.4 45.5 -54.8 -53.8 66.4 22.5 6.6 122 124 A E H >< S+ 0 0 55 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.924 112.3 53.0 -57.5 -42.2 69.2 24.2 4.8 123 125 A A H 3< S+ 0 0 71 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.766 117.1 35.2 -65.1 -28.5 70.2 20.8 3.2 124 126 A G H X< S+ 0 0 11 -4,-1.4 3,-1.4 -3,-0.5 -1,-0.2 0.442 91.0 92.5-101.5 -7.5 66.8 20.0 1.8 125 127 A A G X< S+ 0 0 9 -4,-0.9 3,-1.6 -3,-0.7 6,-0.2 0.809 73.4 66.1 -71.9 -24.0 65.6 23.4 0.9 126 128 A T G 3 S+ 0 0 98 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.699 102.4 50.0 -74.3 -14.8 66.7 23.4 -2.7 127 129 A R G < S+ 0 0 191 -3,-1.4 -1,-0.3 -48,-0.2 -2,-0.2 0.310 83.8 118.7-104.2 8.0 64.3 20.6 -3.5 128 130 A A S X S- 0 0 10 -3,-1.6 3,-1.0 -4,-0.2 -50,-0.1 -0.302 79.3-111.1 -62.1 154.3 61.3 22.4 -1.9 129 131 A K T 3 S+ 0 0 175 -52,-0.5 -51,-0.2 -53,-0.3 -1,-0.1 0.910 117.2 49.4 -55.2 -44.3 58.4 23.2 -4.2 130 132 A D T > >S+ 0 0 27 -53,-1.4 3,-2.3 3,-0.1 5,-2.0 0.638 81.5 121.8 -74.6 -11.7 59.1 26.9 -4.0 131 133 A H B < 5S+i 135 0B 57 -3,-1.0 5,-0.2 1,-0.3 3,-0.1 -0.268 84.3 4.9 -62.7 121.0 62.8 26.7 -4.8 132 134 A G T 3 5S+ 0 0 49 3,-2.7 -1,-0.3 1,-0.2 4,-0.2 0.471 130.9 59.8 85.5 5.0 63.9 28.7 -7.8 133 135 A L T < 5S+ 0 0 130 -3,-2.3 -1,-0.2 2,-0.6 -2,-0.1 0.419 122.7 0.2-119.5 -95.0 60.4 30.1 -8.2 134 136 A E T 5S+ 0 0 119 -4,-0.2 -85,-2.1 -86,-0.1 2,-0.4 0.716 135.6 46.1 -71.4 -22.4 59.0 32.1 -5.3 135 137 A V E < -Fi 48 131B 7 -5,-2.0 -3,-2.7 -87,-0.2 -2,-0.6 -0.949 58.3-171.0-126.1 147.2 62.2 31.6 -3.3 136 138 A L E - 0 0 86 -89,-3.6 -88,-0.2 -2,-0.4 2,-0.1 0.485 61.4 -49.1-116.4 -9.8 65.7 32.0 -4.5 137 139 A G E -F 47 0B 17 -90,-0.8 -90,-3.0 2,-0.0 -1,-0.3 -0.451 49.3 -97.8 143.3 144.0 67.8 30.6 -1.6 138 140 A L E -F 46 0B 38 -92,-0.2 2,-0.3 -2,-0.1 -92,-0.3 -0.541 32.1-172.7 -80.0 145.7 68.4 30.7 2.2 139 141 A V E -F 45 0B 54 -94,-2.5 -94,-3.0 -2,-0.2 2,-0.3 -0.984 21.5-124.7-133.3 150.3 71.1 32.7 3.9 140 142 A R E -F 44 0B 87 -2,-0.3 -96,-0.2 -96,-0.2 -98,-0.1 -0.678 28.7-119.6 -85.0 146.1 72.4 32.8 7.5 141 143 A V - 0 0 6 -98,-1.9 2,-0.4 -2,-0.3 -98,-0.3 -0.808 20.7-131.3 -84.4 121.5 72.4 36.1 9.3 142 144 A P - 0 0 22 0, 0.0 14,-0.1 0, 0.0 -103,-0.1 -0.610 22.6-172.6 -72.0 122.7 76.0 37.2 10.4 143 145 A L + 0 0 22 -2,-0.4 2,-0.1 -104,-0.2 -104,-0.1 0.641 56.3 78.9 -97.9 -12.8 75.4 38.2 14.0 144 146 A Y S S- 0 0 53 -107,-0.1 9,-3.0 9,-0.1 2,-0.4 -0.361 71.0-134.5 -87.9 165.5 79.0 39.6 14.6 145 147 A T B -J 152 0C 79 7,-0.2 7,-0.2 8,-0.1 6,-0.1 -0.991 28.1-130.4-118.8 130.3 80.4 43.0 13.6 146 148 A L > - 0 0 59 5,-2.8 3,-2.4 -2,-0.4 4,-0.0 -0.292 31.6 -90.4 -80.2 171.6 83.9 42.7 12.0 147 149 A R T 3 S+ 0 0 204 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.820 123.1 62.4 -52.0 -41.8 86.9 44.8 13.1 148 150 A D T 3 S- 0 0 109 1,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.436 109.3-123.6 -63.2 -1.4 86.2 47.6 10.7 149 151 A G S < S+ 0 0 46 -3,-2.4 -2,-0.1 1,-0.1 -1,-0.1 0.453 97.3 64.3 71.0 4.9 83.0 48.2 12.5 150 152 A V S >S+ 0 0 78 4,-0.1 5,-1.2 -4,-0.0 -1,-0.1 0.691 73.6 87.6-125.0 -45.8 80.9 47.7 9.3 151 153 A G T 5S+ 0 0 12 3,-0.2 -5,-2.8 4,-0.1 2,-0.4 -0.311 85.0 22.0 -63.9 149.9 81.3 44.2 7.9 152 154 A G B >>5S+J 145 0C 15 -7,-0.2 4,-2.8 1,-0.2 3,-0.5 -0.757 127.4 7.9 93.1-140.0 78.9 41.4 9.2 153 155 A L H 3>5S+ 0 0 14 -9,-3.0 4,-2.4 -2,-0.4 -1,-0.2 0.849 128.0 52.2 -46.7 -51.3 75.6 42.4 10.7 154 156 A P H 345S+ 0 0 46 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.924 115.3 43.2 -56.0 -40.0 75.6 46.2 9.9 155 157 A T H X4< S+ 0 0 20 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.891 103.5 56.8 -51.8 -41.7 73.8 42.6 6.2 157 159 A L T 3< S+ 0 0 20 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.589 95.1 67.4 -72.4 -10.2 71.2 45.1 7.4 158 160 A E T < S+ 0 0 149 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.463 82.2 100.6 -85.5 -4.1 72.0 47.3 4.4 159 161 A N S < S- 0 0 84 -3,-1.8 2,-0.5 -4,-0.3 -107,-0.1 -0.191 90.0 -87.0 -68.9 170.8 70.5 44.6 2.1 160 162 A S - 0 0 79 -109,-0.3 -107,-2.9 6,-0.0 2,-0.3 -0.723 49.5-167.6 -85.7 128.1 67.0 44.9 0.7 161 163 A F B -h 53 0B 28 -2,-0.5 2,-0.3 -109,-0.3 -107,-0.2 -0.881 19.9-117.2-118.7 148.6 64.2 43.5 3.0 162 164 A I > - 0 0 47 -109,-2.8 3,-2.9 -2,-0.3 4,-0.3 -0.613 66.4 -49.9 -82.7 140.3 60.5 42.7 2.6 163 165 A G T 3 S- 0 0 66 1,-0.3 3,-0.3 -2,-0.3 4,-0.1 -0.011 120.9 -17.0 42.4-118.9 57.9 44.6 4.6 164 166 A S T 3> S+ 0 0 31 1,-0.2 4,-2.9 2,-0.1 -1,-0.3 0.064 99.3 116.7-103.1 16.5 58.8 44.6 8.3 165 167 A A H <> S+ 0 0 3 -3,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.867 75.5 52.0 -61.4 -37.1 61.3 41.7 8.2 166 168 A R H > S+ 0 0 77 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.920 113.6 44.0 -64.4 -41.9 64.3 44.0 9.2 167 169 A E H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.949 113.5 50.3 -66.4 -51.1 62.3 45.2 12.2 168 170 A Q H X S+ 0 0 10 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.932 112.5 48.8 -51.3 -49.7 61.1 41.7 13.1 169 171 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 -2,-0.2 0.950 111.1 48.2 -55.3 -53.6 64.8 40.5 12.9 170 172 A L H X S+ 0 0 45 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.863 111.5 51.1 -61.4 -33.4 66.2 43.3 15.1 171 173 A E H X S+ 0 0 74 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.908 111.0 47.4 -70.5 -40.6 63.5 42.7 17.7 172 174 A A H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.916 110.8 52.1 -65.8 -40.2 64.3 39.0 17.8 173 175 A L H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 6,-0.5 0.903 109.6 50.0 -64.3 -39.0 68.0 39.7 18.0 174 176 A Q H ><5S+ 0 0 137 -4,-2.2 3,-1.8 1,-0.2 5,-0.2 0.933 109.0 51.4 -56.4 -49.5 67.3 42.0 21.0 175 177 A D H 3<5S+ 0 0 111 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.817 106.8 53.6 -64.5 -32.6 65.2 39.3 22.7 176 178 A L T 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.464 116.7-116.1 -77.1 -3.5 68.1 36.8 22.2 177 179 A G T < 5S+ 0 0 40 -3,-1.8 3,-0.4 -4,-0.2 -3,-0.2 0.740 80.1 124.5 74.3 25.8 70.4 39.3 24.0 178 180 A L < + 0 0 29 -5,-2.5 -4,-0.2 1,-0.2 -5,-0.1 0.531 61.9 64.9 -91.3 -9.1 72.6 39.9 20.9 179 181 A L 0 0 71 -6,-0.5 -1,-0.2 -5,-0.2 -5,-0.1 0.024 360.0 360.0-106.6 31.2 72.2 43.7 20.9 180 182 A Q 0 0 215 -3,-0.4 -1,-0.1 -6,-0.0 0, 0.0 -0.914 360.0 360.0 98.1 360.0 74.0 44.2 24.3