==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-AUG-12 4GDN . COMPND 2 MOLECULE: PROTEIN FLP; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.COUGNOUX,L.GIBOLD,J.DELMAS,F.ROBIN,G.DALMASSO,R.BONNET . 1333 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 890 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 267 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 19 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 69 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 3.2 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 5 4 2 0 4 0 2 5 8 1 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 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 . 5 21 10 4 0 4 9 3 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 . 7 6 3 0 0 0 0 4 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 34 A R 0 0 238 0, 0.0 39,-0.1 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 51.2 8.9 57.6 -22.6 2 35 A L + 0 0 84 36,-0.1 37,-3.3 2,-0.0 2,-0.3 -0.045 360.0 165.9 -47.7 131.0 8.8 59.5 -25.9 3 36 A T B -A 38 0A 78 35,-0.3 2,-0.4 33,-0.1 35,-0.3 -0.960 20.5-177.3-147.7 137.3 10.1 63.0 -26.3 4 37 A N + 0 0 49 33,-4.0 2,-0.3 -2,-0.3 -2,-0.0 -0.814 50.4 102.5-132.1 90.1 10.9 65.1 -29.3 5 38 A D - 0 0 51 -2,-0.4 3,-0.2 1,-0.1 32,-0.0 -0.833 61.7-140.1-166.0 132.7 12.2 68.4 -27.9 6 39 A S S S- 0 0 135 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.909 83.4 -25.1 -63.6 -48.7 15.9 69.5 -27.8 7 40 A Q S S+ 0 0 174 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.910 79.4 169.2-158.2 149.0 15.6 71.1 -24.3 8 41 A Q - 0 0 68 -2,-0.3 3,-0.2 -3,-0.2 4,-0.2 -0.994 47.5-134.2-166.8 165.9 12.6 72.6 -22.6 9 42 A Q S > S+ 0 0 92 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.220 78.9 101.7-102.8 8.8 10.6 74.0 -19.7 10 43 A I H >> S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.941 78.5 56.8 -57.7 -47.2 7.5 71.9 -20.3 11 44 A D H 3> S+ 0 0 33 1,-0.3 4,-3.3 -3,-0.2 5,-0.2 0.876 105.2 50.3 -51.3 -44.8 8.6 69.6 -17.4 12 45 A K H 3> S+ 0 0 134 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.784 110.2 49.8 -68.8 -27.5 8.6 72.5 -15.0 13 46 A I H S+ 0 0 9 -4,-2.3 5,-2.7 2,-0.2 4,-0.7 0.931 114.0 43.8 -63.0 -49.9 0.9 68.6 -10.4 19 52 A Q H <5S+ 0 0 131 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.861 114.5 50.1 -64.6 -38.3 2.8 69.4 -7.1 20 53 A K H <5S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.726 113.5 46.0 -74.2 -22.0 0.6 72.5 -6.5 21 54 A G H <5S- 0 0 8 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.523 111.1-121.6 -94.0 -9.1 -2.6 70.4 -7.0 22 55 A H T <5 + 0 0 84 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.781 52.7 163.3 68.3 33.1 -1.3 67.5 -4.8 23 56 A I < - 0 0 11 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.760 29.9-156.9 -85.9 111.7 -1.6 65.1 -7.7 24 57 A P S S- 0 0 22 0, 0.0 20,-3.1 0, 0.0 2,-0.3 0.819 70.5 -6.3 -60.0 -36.4 0.5 62.0 -6.9 25 58 A G E +B 43 0A 0 18,-0.3 294,-2.4 20,-0.1 2,-0.3 -0.988 57.8 167.7-162.8 152.3 0.9 61.0 -10.5 26 59 A A E -BC 42 318A 0 16,-2.7 16,-2.9 -2,-0.3 2,-0.4 -0.969 23.0-140.4-160.5 147.2 -0.1 61.8 -14.1 27 60 A S E -BC 41 317A 0 290,-2.0 290,-2.2 -2,-0.3 2,-0.4 -0.969 23.0-153.1-114.8 136.3 1.0 60.8 -17.6 28 61 A I E -BC 40 316A 0 12,-2.9 12,-2.1 -2,-0.4 2,-0.5 -0.918 9.3-168.0-116.6 130.8 1.0 63.6 -20.2 29 62 A L E -BC 39 315A 0 286,-3.0 286,-3.3 -2,-0.4 2,-0.5 -0.971 4.8-179.2-119.4 125.4 0.6 63.3 -24.0 30 63 A I E -BC 38 314A 12 8,-3.0 7,-2.9 -2,-0.5 8,-1.5 -0.994 4.3-177.7-122.8 124.3 1.3 66.1 -26.4 31 64 A V E +BC 36 313A 0 282,-2.8 282,-3.9 -2,-0.5 2,-0.4 -0.987 10.3 162.1-125.5 116.4 0.8 65.4 -30.1 32 65 A K E > +BC 35 312A 50 3,-1.4 3,-1.0 -2,-0.5 280,-0.3 -1.000 62.7 9.4-136.0 140.9 1.6 68.1 -32.6 33 66 A N T 3 S- 0 0 115 278,-2.2 279,-0.1 -2,-0.4 -1,-0.1 0.787 126.7 -61.8 64.1 29.0 2.1 67.9 -36.3 34 67 A G T 3 S+ 0 0 38 277,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.475 119.5 79.2 82.1 3.8 1.0 64.3 -36.5 35 68 A K E < S- B 0 32A 115 -3,-1.0 -3,-1.4 211,-0.0 -1,-0.1 -0.991 90.8 -97.2-137.2 148.0 3.6 62.6 -34.2 36 69 A V E - B 0 31A 4 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.2 -0.442 31.3-169.1 -67.4 137.7 3.7 62.6 -30.5 37 70 A F E S+ 0 0 79 -7,-2.9 -33,-4.0 1,-0.4 2,-0.3 0.865 73.5 4.6 -93.7 -38.0 6.0 65.3 -29.3 38 71 A L E +AB 3 30A 18 -8,-1.5 -8,-3.0 -35,-0.3 -1,-0.4 -0.982 54.4 173.5-148.2 132.3 6.1 64.1 -25.7 39 72 A N E + B 0 29A 2 -37,-3.3 2,-0.3 -2,-0.3 -10,-0.2 -0.962 32.6 145.3-129.9 114.0 4.7 61.1 -23.9 40 73 A K E - B 0 28A 75 -12,-2.1 -12,-2.9 -2,-0.4 2,-0.3 -0.999 42.0-127.6-156.4 152.9 5.9 61.0 -20.3 41 74 A G E - B 0 27A 20 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.798 19.6-169.5-102.6 142.7 5.0 60.1 -16.8 42 75 A Y E - B 0 26A 9 -16,-2.9 -16,-2.7 -2,-0.3 2,-0.1 -0.998 52.7 -6.6-132.5 133.7 5.3 62.4 -13.8 43 76 A G E S- B 0 25A 30 -2,-0.4 10,-1.5 -18,-0.2 2,-0.4 -0.425 98.5 -44.1 83.9-161.0 5.0 61.4 -10.1 44 77 A Y E -I 52 0B 89 -20,-3.1 8,-0.3 8,-0.3 3,-0.2 -0.903 27.0-161.7-113.2 136.7 3.9 58.1 -8.8 45 78 A Q E S+ 0 0 6 6,-2.4 163,-1.6 -2,-0.4 2,-0.4 0.764 96.5 26.5 -81.1 -29.1 1.0 55.9 -10.1 46 79 A D E > -I 51 0B 18 5,-1.6 5,-2.1 161,-0.2 -1,-0.3 -0.956 65.5-168.3-138.0 116.6 1.2 54.1 -6.7 47 80 A V T 5S+ 0 0 75 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.0 0.819 89.2 43.6 -69.2 -37.0 2.5 55.8 -3.6 48 81 A D T 5S+ 0 0 130 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.886 118.4 40.5 -82.3 -42.5 2.8 52.6 -1.5 49 82 A K T 5S- 0 0 146 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.558 107.2-134.8 -73.9 -13.0 4.3 50.3 -4.1 50 83 A K T 5 + 0 0 154 -4,-0.3 2,-0.5 1,-0.2 -3,-0.2 0.937 44.2 163.6 56.2 49.3 6.3 53.3 -5.0 51 84 A V E < -I 46 0B 50 -5,-2.1 -6,-2.4 1,-0.0 -5,-1.6 -0.901 37.0-122.1-107.6 126.5 5.8 52.9 -8.7 52 85 A K E -I 44 0B 137 -2,-0.5 -8,-0.3 -8,-0.3 -27,-0.1 -0.405 26.4-116.1 -67.3 126.2 6.5 55.7 -11.2 53 86 A A + 0 0 7 -10,-1.5 -12,-0.2 -2,-0.2 -1,-0.1 -0.342 45.8 172.3 -59.7 139.5 3.6 56.8 -13.4 54 87 A S > - 0 0 30 -14,-0.1 3,-1.9 -13,-0.1 184,-0.3 -0.851 52.0 -88.8-143.8 174.6 4.4 56.1 -17.1 55 88 A P T 3 S+ 0 0 15 0, 0.0 184,-1.8 0, 0.0 183,-0.3 0.750 127.7 55.0 -61.1 -20.8 2.9 56.2 -20.6 56 89 A T T 3 S+ 0 0 45 182,-0.1 2,-0.2 181,-0.1 -3,-0.0 0.450 81.9 112.1 -89.2 -4.0 1.9 52.5 -19.9 57 90 A T < - 0 0 0 -3,-1.9 181,-0.5 149,-0.1 2,-0.5 -0.534 60.9-144.3 -70.9 134.8 0.0 53.5 -16.7 58 91 A K E -jK 206 237C 25 147,-1.9 149,-3.3 -2,-0.2 2,-0.3 -0.895 19.6-178.6-106.0 130.1 -3.7 53.1 -17.1 59 92 A Y E - K 0 236C 2 177,-2.5 177,-1.3 -2,-0.5 2,-1.0 -0.808 39.9-101.8-119.8 162.2 -6.2 55.5 -15.5 60 93 A E E - K 0 235C 3 -2,-0.3 175,-0.3 175,-0.2 237,-0.1 -0.758 33.8-157.8 -81.5 107.4 -10.0 55.6 -15.4 61 94 A I > - 0 0 0 173,-2.1 3,-1.4 -2,-1.0 -1,-0.2 0.615 20.4-171.4 -68.6 -11.7 -10.5 58.3 -18.0 62 95 A A G > + 0 0 0 172,-0.6 3,-2.0 170,-0.5 172,-0.4 -0.347 66.4 10.7 63.8-129.1 -14.0 59.1 -16.6 63 96 A S G > S+ 0 0 11 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.558 114.1 79.9 -60.5 -11.7 -16.1 61.5 -18.7 64 97 A N G X S+ 0 0 2 -3,-1.4 3,-0.6 1,-0.2 4,-0.5 0.640 78.4 71.9 -71.1 -14.3 -13.5 61.1 -21.6 65 98 A T G X> S+ 0 0 0 -3,-2.0 4,-1.6 166,-0.5 3,-1.2 0.851 78.8 76.2 -66.3 -37.6 -15.3 57.8 -22.4 66 99 A K H <> S+ 0 0 0 165,-1.0 4,-2.7 -3,-0.7 -1,-0.2 0.776 85.3 61.6 -44.7 -38.2 -18.3 59.8 -23.7 67 100 A A H <> S+ 0 0 2 -3,-0.6 4,-2.2 214,-0.3 -1,-0.3 0.921 105.6 46.8 -58.0 -46.2 -16.4 60.6 -26.9 68 101 A F H <> S+ 0 0 4 -3,-1.2 4,-2.8 -4,-0.5 -2,-0.2 0.948 111.2 50.1 -60.3 -53.9 -16.1 56.9 -27.8 69 102 A T H X S+ 0 0 0 -4,-1.6 4,-2.1 161,-0.4 -2,-0.2 0.942 113.7 46.8 -49.5 -52.9 -19.8 56.1 -27.0 70 103 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.847 111.8 49.1 -61.3 -37.9 -20.9 59.0 -29.2 71 104 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.891 107.7 55.6 -70.5 -37.6 -18.6 58.2 -32.1 72 105 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.932 109.0 47.8 -57.1 -48.1 -19.8 54.5 -31.9 73 106 A I H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.931 109.7 51.1 -57.9 -51.0 -23.4 55.8 -32.3 74 107 A L H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.881 110.5 50.6 -55.3 -39.8 -22.5 58.1 -35.2 75 108 A K H X S+ 0 0 21 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.944 110.9 47.8 -63.2 -49.0 -20.8 55.1 -36.9 76 109 A L H X>S+ 0 0 0 -4,-2.6 5,-1.1 1,-0.2 4,-0.8 0.936 110.0 52.9 -56.1 -47.3 -23.9 53.0 -36.3 77 110 A A H ><5S+ 0 0 20 -4,-3.3 3,-0.5 1,-0.2 -1,-0.2 0.892 110.5 48.5 -55.5 -41.4 -26.1 55.8 -37.7 78 111 A Q H 3<5S+ 0 0 37 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.899 106.0 54.6 -66.4 -44.5 -23.9 55.9 -40.8 79 112 A E H 3<5S- 0 0 6 -4,-2.4 846,-0.5 -5,-0.1 847,-0.3 0.622 117.2-116.4 -64.2 -12.4 -24.0 52.1 -41.4 80 113 A G T <<5S+ 0 0 35 -4,-0.8 -3,-0.2 -3,-0.5 -2,-0.1 0.284 83.8 120.7 94.6 -8.7 -27.8 52.6 -41.4 81 114 A R S - 0 0 90 -2,-0.3 3,-1.2 4,-0.1 25,-0.3 -0.980 13.1-137.6-127.2 125.6 -31.1 56.8 -37.1 84 117 A L T 3 S+ 0 0 25 -2,-0.5 25,-2.9 1,-0.3 26,-0.3 0.743 105.4 44.8 -50.8 -26.9 -30.1 59.9 -35.2 85 118 A N T 3 S+ 0 0 103 23,-0.2 -1,-0.3 22,-0.1 25,-0.1 0.703 85.8 103.9 -92.2 -21.1 -33.7 61.2 -35.2 86 119 A D S < S- 0 0 24 -3,-1.2 22,-1.3 21,-0.1 23,-0.1 -0.342 80.0-102.1 -66.3 144.3 -35.6 58.0 -34.3 87 120 A D B > -M 107 0D 48 20,-0.2 3,-1.2 1,-0.1 20,-0.2 -0.153 21.3-118.3 -65.4 159.9 -36.8 57.9 -30.7 88 121 A V G >> S+ 0 0 1 18,-2.5 4,-2.4 1,-0.2 3,-2.2 0.781 107.6 71.3 -69.6 -27.8 -35.1 55.9 -28.0 89 122 A S G 34 S+ 0 0 53 1,-0.3 -1,-0.2 17,-0.2 6,-0.1 0.579 89.1 64.5 -65.6 -9.9 -38.2 53.7 -27.4 90 123 A K G <4 S+ 0 0 126 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.609 116.8 26.7 -84.4 -15.4 -37.4 52.1 -30.8 91 124 A H T <4 S+ 0 0 4 -3,-2.2 -2,-0.2 -4,-0.2 -3,-0.1 0.562 119.3 59.7-121.3 -20.1 -34.1 50.8 -29.3 92 125 A V S >< S- 0 0 2 -4,-2.4 3,-0.6 1,-0.1 -1,-0.1 -0.873 89.3-120.9-110.3 145.0 -35.0 50.6 -25.6 93 126 A P T 3 S- 0 0 16 0, 0.0 2,-0.2 0, 0.0 336,-0.1 0.885 91.6 -10.3 -58.0 -63.2 -37.9 48.3 -24.7 94 127 A H T 3 S+ 0 0 50 414,-0.1 2,-1.0 334,-0.1 -5,-0.1 -0.703 75.6 165.6-136.2 85.6 -40.4 50.6 -23.0 95 128 A F < + 0 0 12 -3,-0.6 2,-0.5 -2,-0.2 -6,-0.2 -0.819 11.5 161.7-105.1 91.9 -38.5 53.8 -22.5 96 129 A K + 0 0 73 -2,-1.0 2,-0.3 -8,-0.1 9,-0.1 -0.956 8.0 171.9-113.2 128.8 -41.3 56.1 -21.7 97 130 A M - 0 0 3 -2,-0.5 7,-3.6 7,-0.2 2,-0.3 -0.996 13.5-154.7-138.3 139.7 -40.4 59.4 -19.9 98 131 A N E -N 103 0E 56 -2,-0.3 49,-2.1 5,-0.3 2,-0.4 -0.780 17.8-152.6-125.9 163.2 -42.8 62.3 -19.2 99 132 A Y E > S-N 102 0E 85 3,-2.1 3,-0.9 -2,-0.3 2,-0.5 -0.998 73.6 -40.8-126.1 125.9 -43.1 66.1 -18.6 100 133 A N T 3 S- 0 0 39 -2,-0.4 -2,-0.1 47,-0.3 3,-0.1 -0.358 131.0 -4.0 58.9-112.9 -45.9 67.4 -16.6 101 134 A G T 3 S+ 0 0 4 -2,-0.5 2,-0.3 1,-0.1 -1,-0.3 0.935 125.6 29.5 -81.8 -51.1 -48.9 65.5 -17.7 102 135 A Q E < S-N 99 0E 95 -3,-0.9 -3,-2.1 1,-0.1 -1,-0.1 -0.796 80.9 -86.1-126.7 159.5 -47.7 63.2 -20.5 103 136 A N E -N 98 0E 51 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.3 -0.180 35.1-145.3 -56.6 146.5 -44.9 61.3 -21.9 104 137 A E - 0 0 61 -7,-3.6 -7,-0.2 2,-0.0 -1,-0.1 -0.968 14.4-123.0-128.2 118.3 -42.4 62.9 -24.3 105 138 A T - 0 0 88 -2,-0.4 2,-0.5 -9,-0.1 -9,-0.1 -0.305 26.3-156.3 -53.2 127.3 -40.6 61.3 -27.2 106 139 A I - 0 0 5 44,-0.0 -18,-2.5 -2,-0.0 -17,-0.2 -0.952 6.3-146.5-113.5 119.2 -36.8 61.5 -26.8 107 140 A T B > -M 87 0D 22 -2,-0.5 4,-0.9 -20,-0.2 -20,-0.2 -0.410 21.4-119.8 -79.5 160.4 -34.6 61.3 -29.9 108 141 A I H >> S+ 0 0 0 -22,-1.3 3,-2.0 -25,-0.3 4,-1.9 0.970 115.5 53.9 -59.1 -54.4 -31.2 59.8 -30.1 109 142 A K H 3> S+ 0 0 79 -25,-2.9 4,-3.5 1,-0.3 -1,-0.2 0.873 102.9 58.3 -48.7 -42.6 -29.6 63.1 -31.1 110 143 A Q H 3>>S+ 0 0 40 -26,-0.3 5,-2.4 1,-0.2 6,-1.2 0.805 106.1 49.3 -59.9 -28.4 -31.2 64.7 -28.1 111 144 A L H X<5S+ 0 0 0 -3,-2.0 3,-0.5 -4,-0.9 -2,-0.2 0.912 113.8 43.8 -75.3 -44.3 -29.3 62.2 -25.9 112 145 A L H 3<5S+ 0 0 2 -4,-1.9 169,-0.5 1,-0.2 -2,-0.2 0.908 115.2 51.9 -61.2 -41.2 -26.0 63.0 -27.7 113 146 A A H 3<5S- 0 0 4 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.624 104.6-132.4 -70.0 -19.6 -27.0 66.6 -27.4 114 147 A Q T <<5S+ 0 0 0 -4,-0.6 42,-2.5 -3,-0.5 -3,-0.2 0.805 81.0 108.6 66.3 32.5 -27.7 66.4 -23.7 115 148 A T < + 0 0 13 -5,-2.4 37,-3.0 40,-0.2 39,-0.4 0.253 36.1 110.9-118.0 5.5 -31.0 68.2 -24.3 116 149 A S S S- 0 0 1 -6,-1.2 -5,-0.1 35,-0.3 -1,-0.1 0.725 87.0-118.2 -52.6 -27.5 -33.1 65.1 -23.6 117 150 A G + 0 0 0 1,-0.3 31,-2.0 37,-0.3 32,-0.3 0.522 62.7 145.4 93.1 8.3 -34.4 66.5 -20.3 118 151 A I - 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0 0 3 27,-0.3 -1,-0.3 28,-0.1 41,-0.1 -0.429 62.6 -99.0 -63.0 127.5 -84.9 56.0 -23.7 1124 152 D P - 0 0 8 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 0.032 15.8-132.6 -49.6 145.1 -86.5 59.3 -22.6 1125 153 D S S S+ 0 0 43 36,-0.1 2,-0.6 37,-0.1 37,-0.5 0.884 91.6 72.0 -64.3 -42.0 -84.7 61.8 -20.3 1126 154 D D 0 0 99 35,-0.1 -1,-0.1 36,-0.1 35,-0.0 -0.676 360.0 360.0 -87.8 121.2 -87.7 62.2 -18.1 1127 155 D I 0 0 90 -2,-0.6 -2,-0.1 2,-0.0 18,-0.1 -0.242 360.0 360.0 -68.5 360.0 -88.4 59.2 -15.9 1128 ! 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 1129 159 D D 0 0 97 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -47.9 -90.5 62.5 -8.1 1130 160 D A - 0 0 55 98,-0.1 5,-0.1 2,-0.0 98,-0.1 -0.971 360.0 -95.0-123.3 142.1 -92.6 59.7 -6.7 1131 161 D V - 0 0 27 3,-0.5 3,-0.5 -2,-0.4 6,-0.1 -0.197 39.3-117.6 -58.4 138.4 -93.3 56.5 -8.6 1132 162 D T S S+ 0 0 138 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 0.857 104.9 8.9 -52.9 -45.2 -96.6 56.8 -10.3 1133 163 D N S S+ 0 0 144 1,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.345 128.0 39.2-114.0 6.3 -98.3 54.0 -8.4 1134 164 D K - 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0 0 81 -3,-0.2 -45,-0.7 -4,-0.2 2,-0.4 -0.181 68.0-138.8 -59.8 145.9 -92.6 53.9 -22.1 1149 179 D E B -k 1103 0X 87 -47,-0.1 -45,-0.2 -41,-0.0 2,-0.1 -0.848 25.2-112.2-102.7 139.4 -91.6 54.1 -25.7 1150 180 D L - 0 0 2 -47,-2.4 -45,-0.3 -2,-0.4 -27,-0.3 -0.459 14.5-138.7 -69.8 141.4 -88.1 55.2 -26.7 1151 181 D H S S+ 0 0 92 -29,-2.6 2,-0.3 -2,-0.1 -28,-0.1 0.843 86.5 21.9 -68.5 -32.8 -87.9 58.5 -28.5 1152 182 D H S S- 0 0 55 -30,-0.7 -1,-0.1 5,-0.1 3,-0.0 -0.909 90.5 -97.2-133.1 156.1 -85.3 57.1 -31.0 1153 183 D K > - 0 0 106 -2,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.602 68.0 -84.2 -69.1 140.6 -84.2 53.7 -32.2 1154 184 D P T 3 S+ 0 0 18 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.240 114.7 21.8 -62.9 131.0 -81.2 52.9 -30.1 1155 185 D G T 3 S+ 0 0 39 -35,-3.3 -34,-0.1 2,-0.3 -33,-0.0 0.084 96.9 96.7 103.9 -16.9 -78.0 54.4 -31.4 1156 186 D E S < S+ 0 0 137 -3,-2.3 2,-0.2 -36,-0.3 -35,-0.1 0.974 87.4 8.1 -68.7 -54.2 -79.5 57.3 -33.4 1157 187 D E S S- 0 0 89 -4,-0.3 2,-0.4 -37,-0.3 -2,-0.3 -0.708 70.2-113.6-126.6 170.0 -79.4 60.3 -31.2 1158 188 D F + 0 0 13 -2,-0.2 2,-0.3 113,-0.2 -38,-0.2 -0.833 33.0 169.2-102.5 143.5 -78.0 61.4 -27.8 1159 189 D E - 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