==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-JAN-13 4IMN . COMPND 2 MOLECULE: LIPOCALIN-TYPE PROSTAGLANDIN-D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.M.LIM,D.CHEN,H.TEO,A.ROOS,T.NYMAN,L.TRESAUGUES,K.PERVUSHIN . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 77.9 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 . 64 41.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 15 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 1 0 0 1 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 1 1 0 1 3 1 1 1 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 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 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 29 A S 0 0 134 0, 0.0 2,-0.3 0, 0.0 90,-0.0 0.000 360.0 360.0 360.0 122.8 22.6 -5.3 1.7 2 30 A V - 0 0 42 74,-0.0 91,-0.2 89,-0.0 73,-0.1 -0.852 360.0 -93.8-116.2 144.8 22.7 -8.0 -1.1 3 31 A Q > - 0 0 38 89,-2.6 3,-0.9 -2,-0.3 91,-0.1 -0.377 52.4-115.8 -53.1 119.7 20.5 -11.0 -1.8 4 32 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.369 93.4 7.9 -61.2 143.2 22.4 -14.0 -0.1 5 33 A N T 3 S- 0 0 136 1,-0.2 70,-0.1 -3,-0.1 -2,-0.1 0.847 91.6-159.5 54.7 40.6 23.7 -16.7 -2.5 6 34 A F < - 0 0 8 -3,-0.9 2,-0.7 68,-0.3 -1,-0.2 -0.258 9.1-156.8 -59.0 129.9 22.6 -14.5 -5.5 7 35 A Q >> - 0 0 61 1,-0.2 3,-1.2 -3,-0.1 4,-0.7 -0.856 5.7-169.4-111.3 95.2 22.2 -16.5 -8.7 8 36 A Q H >> S+ 0 0 47 -2,-0.7 3,-1.3 1,-0.3 4,-0.5 0.859 82.6 59.0 -57.5 -39.0 22.6 -14.2 -11.5 9 37 A D H >4 S+ 0 0 106 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.821 103.3 52.5 -61.4 -31.3 21.4 -16.7 -14.1 10 38 A K H <4 S+ 0 0 113 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.644 102.7 60.1 -79.1 -9.7 18.0 -17.0 -12.3 11 39 A F H << S+ 0 0 2 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.561 85.9 106.6 -90.3 -11.6 17.6 -13.2 -12.4 12 40 A L << + 0 0 49 -3,-0.7 2,-0.2 -4,-0.5 30,-0.2 -0.093 57.2 36.0 -65.1 160.2 17.8 -13.1 -16.2 13 41 A G E S-A 41 0A 29 28,-2.9 28,-3.5 2,-0.0 2,-0.4 -0.589 93.7 -1.9 108.9-149.4 14.8 -12.5 -18.5 14 42 A R E +A 40 0A 142 26,-0.2 2,-0.3 -2,-0.2 26,-0.2 -0.633 56.3 162.8 -93.1 129.6 11.7 -10.4 -18.5 15 43 A W E -A 39 0A 0 24,-3.1 24,-3.6 -2,-0.4 2,-0.4 -0.917 28.0-136.6-137.5 158.4 10.7 -8.2 -15.6 16 44 A F E -AB 38 122A 12 106,-2.5 106,-2.3 -2,-0.3 2,-0.8 -0.985 19.8-127.8-118.9 132.0 8.3 -5.3 -15.2 17 45 A S E +AB 37 121A 13 20,-2.6 20,-0.6 -2,-0.4 104,-0.2 -0.678 36.9 170.5 -80.5 111.7 9.2 -2.2 -13.3 18 46 A A E - 0 0 2 102,-3.0 134,-1.8 -2,-0.8 2,-0.3 0.544 54.3 -3.4-108.2 -10.3 6.2 -1.9 -10.9 19 47 A G E -CB 151 120A 1 101,-1.1 101,-2.7 132,-0.3 2,-0.3 -0.949 55.5-173.5-169.9 159.7 7.2 0.7 -8.4 20 48 A L E -CB 150 119A 6 130,-2.6 130,-2.8 -2,-0.3 2,-0.3 -0.975 8.8-160.0-150.5 160.9 9.9 3.1 -7.4 21 49 A A E +CB 149 118A 0 97,-2.4 97,-2.7 -2,-0.3 2,-0.3 -0.971 21.6 160.6-139.9 146.1 10.9 5.5 -4.8 22 50 A S E - B 0 117A 0 126,-0.8 95,-0.2 -2,-0.3 6,-0.1 -0.981 48.1-127.9-156.6 154.6 13.5 8.2 -5.1 23 51 A N S S+ 0 0 69 93,-1.3 2,-0.8 -2,-0.3 94,-0.1 0.398 89.4 93.4 -81.6 -1.8 14.6 11.5 -3.5 24 52 A S > - 0 0 18 92,-0.4 4,-1.9 1,-0.2 3,-0.3 -0.845 61.0-164.5 -97.4 103.2 14.5 13.0 -7.1 25 53 A S H > S+ 0 0 59 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.890 87.0 51.3 -44.0 -54.6 11.1 14.6 -7.7 26 54 A W H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.852 107.6 52.6 -65.1 -34.7 11.5 14.8 -11.5 27 55 A L H > S+ 0 0 16 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.918 110.2 48.5 -64.1 -43.9 12.4 11.1 -11.8 28 56 A R H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.901 114.2 45.5 -61.2 -43.1 9.3 10.1 -9.8 29 57 A E H X S+ 0 0 128 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.907 115.8 45.8 -70.9 -43.7 7.0 12.3 -11.9 30 58 A K H X S+ 0 0 121 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.955 114.0 46.9 -62.8 -51.3 8.5 11.3 -15.2 31 59 A K H X S+ 0 0 71 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.900 111.0 53.7 -60.9 -37.1 8.5 7.5 -14.4 32 60 A A H < S+ 0 0 40 -4,-2.0 3,-0.3 -5,-0.3 -1,-0.2 0.929 107.5 51.0 -57.7 -47.2 4.9 7.9 -13.2 33 61 A A H < S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.778 110.5 49.7 -59.1 -33.8 3.9 9.5 -16.5 34 62 A L H < S- 0 0 64 -4,-1.7 22,-0.3 1,-0.2 -1,-0.2 0.785 98.4-154.3 -78.8 -27.7 5.5 6.6 -18.4 35 63 A S < - 0 0 40 -4,-1.6 119,-0.2 -3,-0.3 -1,-0.2 -0.242 48.0 -17.5 77.9-173.5 3.8 3.8 -16.4 36 64 A M S S- 0 0 21 117,-2.8 2,-0.3 -18,-0.1 -18,-0.1 -0.423 71.4-161.3 -64.4 137.4 5.1 0.3 -15.9 37 65 A C E -A 17 0A 25 -20,-0.6 -20,-2.6 -2,-0.1 2,-0.4 -0.872 18.1-113.6-120.2 152.9 7.7 -0.5 -18.4 38 66 A K E -AD 16 54A 87 16,-0.8 16,-2.1 -2,-0.3 2,-0.4 -0.748 30.0-167.2 -85.5 134.9 9.1 -3.9 -19.5 39 67 A S E -AD 15 53A 0 -24,-3.6 -24,-3.1 -2,-0.4 2,-0.5 -0.956 7.5-158.2-118.5 141.1 12.7 -4.7 -18.7 40 68 A V E -AD 14 52A 57 12,-2.9 12,-3.3 -2,-0.4 2,-0.5 -0.987 8.1-156.8-119.6 125.3 14.8 -7.5 -20.1 41 69 A V E +AD 13 51A 3 -28,-3.5 -28,-2.9 -2,-0.5 10,-0.2 -0.882 20.4 165.7-105.6 121.6 17.8 -8.7 -18.1 42 70 A A E - D 0 50A 41 8,-2.4 8,-3.5 -2,-0.5 2,-0.1 -0.959 41.7 -93.6-134.6 151.8 20.6 -10.4 -20.0 43 71 A P E - D 0 49A 80 0, 0.0 6,-0.3 0, 0.0 2,-0.3 -0.433 39.6-142.8 -64.6 139.1 24.2 -11.4 -19.2 44 72 A A > - 0 0 14 4,-1.9 3,-2.0 24,-0.2 6,-0.0 -0.685 23.1-109.6 -99.6 159.6 26.8 -8.8 -20.4 45 73 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.753 115.4 60.0 -58.2 -29.4 30.3 -9.6 -21.8 46 74 A D T 3 S- 0 0 67 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.322 123.9 -98.4 -85.3 5.0 32.0 -8.3 -18.6 47 75 A G S < S+ 0 0 47 -3,-2.0 -2,-0.1 1,-0.2 22,-0.1 0.261 99.3 87.6 94.0 -8.6 30.2 -10.8 -16.3 48 76 A G S S- 0 0 0 22,-0.1 -4,-1.9 1,-0.1 2,-0.4 0.305 79.2 -74.1 -94.7-136.9 27.5 -8.3 -15.2 49 77 A L E -DE 43 68A 0 19,-2.7 19,-3.2 -6,-0.3 2,-0.6 -0.968 13.2-146.4-137.4 142.9 24.2 -7.4 -16.8 50 78 A N E -DE 42 67A 48 -8,-3.5 -8,-2.4 -2,-0.4 2,-0.7 -0.953 20.1-163.8-100.8 121.5 22.5 -5.7 -19.6 51 79 A L E -DE 41 66A 8 15,-2.6 15,-2.3 -2,-0.6 2,-0.6 -0.902 5.0-168.5-109.0 109.8 19.2 -4.2 -18.6 52 80 A T E -DE 40 65A 39 -12,-3.3 -12,-2.9 -2,-0.7 2,-0.3 -0.898 4.6-173.1-107.1 116.7 17.0 -3.3 -21.6 53 81 A S E -DE 39 64A 17 11,-3.1 11,-3.3 -2,-0.6 2,-0.4 -0.848 4.2-163.5-108.7 147.6 14.0 -1.2 -20.8 54 82 A T E +DE 38 63A 27 -16,-2.1 -16,-0.8 -2,-0.3 2,-0.3 -0.966 10.8 172.6-128.2 143.1 11.2 -0.3 -23.3 55 83 A F E - E 0 62A 31 7,-2.0 7,-2.7 -2,-0.4 2,-0.4 -0.969 30.4-111.3-145.8 161.2 8.6 2.4 -23.1 56 84 A L E + E 0 61A 123 -2,-0.3 2,-0.4 -22,-0.3 5,-0.2 -0.782 27.6 176.7 -96.5 132.8 6.0 3.9 -25.4 57 85 A R E > - E 0 60A 136 3,-3.1 3,-2.1 -2,-0.4 2,-0.2 -0.936 65.7 -51.1-131.3 117.6 6.2 7.4 -26.7 58 86 A K T 3 S- 0 0 179 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.381 126.2 -15.2 63.2-115.2 3.5 8.5 -29.1 59 87 A N T 3 S+ 0 0 146 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.247 123.3 89.7 -99.0 16.2 3.3 5.6 -31.8 60 88 A Q E < -E 57 0A 102 -3,-2.1 -3,-3.1 2,-0.0 2,-0.8 -0.907 63.9-145.1-131.6 137.7 6.7 4.2 -30.8 61 89 A C E -E 56 0A 85 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.910 29.5-157.6 -99.1 105.0 8.4 1.6 -28.5 62 90 A E E -E 55 0A 41 -7,-2.7 -7,-2.0 -2,-0.8 2,-0.4 -0.637 1.4-149.2 -85.1 142.4 11.7 3.1 -27.5 63 91 A T E -E 54 0A 78 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.944 14.4-178.6-115.1 129.4 14.5 0.9 -26.2 64 92 A R E -E 53 0A 114 -11,-3.3 -11,-3.1 -2,-0.4 2,-0.4 -0.999 8.6-159.8-128.1 135.0 17.2 1.9 -23.7 65 93 A T E -E 52 0A 81 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.958 3.0-167.2-117.8 132.2 20.1 -0.4 -22.5 66 94 A M E -E 51 0A 61 -15,-2.3 -15,-2.6 -2,-0.4 2,-0.6 -0.978 16.2-139.9-116.9 130.5 22.1 0.1 -19.2 67 95 A L E -E 50 0A 65 -2,-0.4 2,-0.8 13,-0.2 13,-0.4 -0.808 13.5-162.4 -92.7 117.1 25.3 -1.8 -18.6 68 96 A L E -E 49 0A 6 -19,-3.2 -19,-2.7 -2,-0.6 11,-0.2 -0.906 12.2-154.8-101.4 104.9 25.5 -2.9 -15.0 69 97 A Q E -F 78 0A 74 9,-2.6 9,-2.4 -2,-0.8 -22,-0.1 -0.597 24.2-102.7 -81.3 139.8 29.0 -3.8 -14.3 70 98 A P E -F 77 0A 65 0, 0.0 7,-0.3 0, 0.0 -22,-0.1 -0.299 30.9-163.2 -57.8 136.6 30.0 -6.3 -11.5 71 99 A A - 0 0 56 5,-2.3 6,-0.2 2,-0.4 3,-0.1 0.256 54.5 -74.9-114.9 19.4 31.2 -4.4 -8.5 72 100 A G S S+ 0 0 80 4,-0.3 2,-0.3 1,-0.1 5,-0.1 0.199 109.9 58.1 117.0 -22.5 33.0 -7.0 -6.5 73 101 A S S > S- 0 0 76 3,-0.3 3,-2.4 0, 0.0 -2,-0.4 -0.991 92.1 -94.5-139.9 145.0 30.2 -9.1 -4.9 74 102 A L T 3 S+ 0 0 133 -2,-0.3 -68,-0.3 1,-0.3 3,-0.1 -0.219 111.5 25.1 -55.5 124.5 27.4 -11.1 -6.6 75 103 A G T 3 S+ 0 0 1 1,-0.3 17,-2.7 -73,-0.1 2,-0.4 0.338 102.2 98.4 101.0 -7.8 24.2 -9.0 -6.7 76 104 A S E < + G 0 91A 16 -3,-2.4 -5,-2.3 15,-0.2 -4,-0.3 -0.946 46.4 168.3-116.1 142.1 26.0 -5.7 -6.7 77 105 A Y E -FG 70 90A 5 13,-2.9 13,-2.8 -2,-0.4 2,-0.4 -0.861 26.7-134.5-139.4 165.3 26.7 -3.6 -9.7 78 106 A S E -FG 69 89A 29 -9,-2.4 -9,-2.6 -2,-0.3 2,-0.4 -0.991 14.1-159.9-128.7 141.3 27.9 -0.2 -10.8 79 107 A Y E - G 0 88A 58 9,-2.9 9,-2.5 -2,-0.4 2,-0.5 -0.985 6.7-151.6-122.6 125.2 26.3 1.9 -13.5 80 108 A R E - G 0 87A 115 -2,-0.4 7,-0.2 -13,-0.4 -13,-0.2 -0.838 5.8-162.1-100.6 126.1 28.1 4.7 -15.2 81 109 A S E >> - G 0 86A 8 5,-3.7 5,-1.9 -2,-0.5 4,-0.7 -0.892 9.4-176.5-110.4 97.1 26.0 7.6 -16.6 82 110 A P T >45S+ 0 0 92 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.918 86.0 55.8 -57.0 -43.7 27.9 9.7 -19.2 83 111 A H T 345S+ 0 0 182 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.857 116.8 35.2 -61.7 -33.6 24.9 12.1 -19.5 84 112 A W T 345S- 0 0 141 -3,-0.3 28,-0.3 2,-0.2 -1,-0.3 0.379 103.0-128.5-100.2 3.7 24.9 12.8 -15.8 85 113 A G T <<5S+ 0 0 32 -3,-0.9 2,-0.3 -4,-0.7 -2,-0.1 0.795 71.7 113.0 62.6 28.9 28.7 12.6 -15.3 86 114 A S E < -G 81 0A 0 -5,-1.9 -5,-3.7 24,-0.2 2,-0.4 -0.895 60.2-141.4-140.1 157.9 28.1 10.1 -12.5 87 115 A T E -GH 80 109A 32 22,-2.1 21,-3.4 -2,-0.3 22,-1.6 -0.933 21.2-161.7-120.4 143.1 28.4 6.6 -11.3 88 116 A Y E -GH 79 107A 26 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.4 -0.952 17.0-131.3-129.5 141.4 25.8 4.7 -9.3 89 117 A S E -GH 78 106A 37 17,-3.2 17,-2.0 -2,-0.3 2,-0.4 -0.824 24.6-168.3 -87.0 129.1 25.8 1.6 -7.1 90 118 A V E -GH 77 105A 14 -13,-2.8 -13,-2.9 -2,-0.4 2,-0.4 -0.995 6.4-177.4-124.2 121.6 23.0 -0.9 -8.0 91 119 A S E -GH 76 104A 14 13,-2.4 13,-1.9 -2,-0.4 2,-1.2 -0.975 30.4-138.7-121.6 135.9 22.1 -3.8 -5.6 92 120 A V E + H 0 103A 2 -17,-2.7 -89,-2.6 -2,-0.4 11,-0.2 -0.776 30.0 179.1 -84.2 99.4 19.7 -6.6 -5.9 93 121 A V E - 0 0 25 9,-1.6 2,-0.3 -2,-1.2 -1,-0.2 0.902 61.7 -3.0 -74.1 -41.6 18.7 -6.5 -2.2 94 122 A E E + H 0 102A 59 8,-1.4 8,-3.1 -3,-0.2 2,-0.3 -0.972 67.4 155.3-155.9 134.2 16.1 -9.3 -2.2 95 123 A T E - H 0 101A 5 -2,-0.3 6,-0.2 6,-0.3 -84,-0.0 -0.973 33.6-160.0-156.0 149.1 14.6 -11.5 -4.8 96 124 A D - 0 0 64 4,-1.5 2,-2.0 -2,-0.3 5,-0.1 0.251 42.7-134.5-105.6 8.9 12.9 -14.9 -5.1 97 125 A Y S S+ 0 0 22 3,-0.7 4,-0.0 1,-0.2 -1,-0.0 -0.172 92.7 59.9 74.0 -42.3 13.8 -15.0 -8.9 98 126 A D S S+ 0 0 122 -2,-2.0 -1,-0.2 2,-0.1 3,-0.1 0.556 120.8 10.4 -98.9 -15.7 10.3 -16.1 -10.0 99 127 A Q S S+ 0 0 102 1,-0.3 24,-2.4 24,-0.1 25,-0.4 0.600 118.1 4.8-127.7 -45.4 8.0 -13.3 -8.8 100 128 A Y E - I 0 122A 34 22,-0.2 -4,-1.5 23,-0.1 -3,-0.7 -0.949 38.1-165.3-147.7 159.6 9.9 -10.2 -7.5 101 129 A A E -HI 95 121A 0 20,-2.1 20,-3.1 -2,-0.3 2,-0.5 -0.968 12.7-152.3-145.1 141.4 13.1 -8.3 -6.9 102 130 A L E -HI 94 120A 2 -8,-3.1 -9,-1.6 -2,-0.3 -8,-1.4 -0.978 20.8-169.9-110.1 121.7 13.7 -5.3 -4.8 103 131 A L E -HI 92 119A 9 16,-2.8 16,-2.4 -2,-0.5 2,-0.4 -0.838 11.3-162.1-115.8 151.7 16.6 -3.1 -6.0 104 132 A Y E -HI 91 118A 24 -13,-1.9 -13,-2.4 -2,-0.3 2,-0.4 -0.995 9.8-176.3-133.7 126.2 18.4 -0.2 -4.4 105 133 A S E +HI 90 117A 11 12,-2.7 12,-2.4 -2,-0.4 2,-0.3 -0.983 4.5 172.7-126.0 133.9 20.5 2.3 -6.3 106 134 A Q E -HI 89 116A 86 -17,-2.0 -17,-3.2 -2,-0.4 10,-0.2 -0.993 37.1-103.7-137.0 150.2 22.6 5.2 -5.0 107 135 A G E +H 88 0A 9 8,-2.0 -19,-0.3 5,-0.4 6,-0.1 -0.371 32.4 177.1 -63.0 143.3 25.0 7.7 -6.5 108 136 A S E + 0 0 56 -21,-3.4 2,-0.3 1,-0.4 -20,-0.2 0.555 64.1 11.5-122.1 -16.4 28.7 6.9 -5.7 109 137 A K E S+H 87 0A 149 -22,-1.6 -22,-2.1 0, 0.0 -1,-0.4 -0.963 99.6 28.2-162.4 147.7 30.6 9.5 -7.7 110 138 A G S > S- 0 0 35 -2,-0.3 3,-1.8 -24,-0.2 -24,-0.2 -0.322 106.8 -43.2 93.3-177.5 29.9 12.8 -9.6 111 139 A P G > S+ 0 0 106 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.714 132.6 62.9 -54.6 -26.4 27.1 15.3 -9.1 112 140 A G G > + 0 0 11 -3,-0.3 3,-2.1 -28,-0.3 -5,-0.4 0.284 65.9 113.0 -90.2 9.7 24.5 12.5 -8.7 113 141 A E G < S+ 0 0 127 -3,-1.8 -6,-0.2 1,-0.3 -1,-0.2 0.762 74.5 54.9 -40.6 -38.7 26.2 11.2 -5.5 114 142 A D G < S+ 0 0 112 -3,-0.5 -1,-0.3 -8,-0.1 -2,-0.1 0.570 84.3 114.0 -78.0 -13.6 23.2 12.3 -3.5 115 143 A F < + 0 0 34 -3,-2.1 -8,-2.0 -93,-0.1 2,-0.3 -0.301 39.9 177.2 -68.7 142.7 20.7 10.3 -5.6 116 144 A R E + I 0 106A 65 -10,-0.2 -93,-1.3 2,-0.0 -92,-0.4 -0.987 3.3 172.8-143.7 144.4 18.8 7.3 -4.1 117 145 A M E -BI 22 105A 27 -12,-2.4 -12,-2.7 -2,-0.3 2,-0.4 -0.964 19.3-157.6-154.7 132.3 16.1 5.0 -5.6 118 146 A A E -BI 21 104A 0 -97,-2.7 -97,-2.4 -2,-0.3 2,-0.4 -0.881 21.8-165.6-101.2 139.5 14.3 1.9 -4.6 119 147 A T E -BI 20 103A 21 -16,-2.4 -16,-2.8 -2,-0.4 2,-0.5 -0.991 12.6-150.0-128.8 140.3 12.8 -0.2 -7.5 120 148 A L E -BI 19 102A 0 -101,-2.7 -102,-3.0 -2,-0.4 -101,-1.1 -0.942 13.1-169.9-108.1 122.8 10.3 -3.0 -7.5 121 149 A Y E -BI 17 101A 15 -20,-3.1 -20,-2.1 -2,-0.5 2,-0.4 -0.946 4.6-174.0-106.4 132.8 10.6 -5.5 -10.3 122 150 A S E -BI 16 100A 1 -106,-2.3 -106,-2.5 -2,-0.4 -22,-0.2 -0.966 30.6-137.8-122.8 147.2 7.8 -8.1 -10.8 123 151 A R S S+ 0 0 47 -24,-2.4 2,-0.3 -2,-0.4 -23,-0.1 0.749 93.3 47.3 -70.0 -24.7 7.7 -11.0 -13.2 124 152 A T S S- 0 0 65 -25,-0.4 -108,-0.2 -108,-0.1 -2,-0.1 -0.818 83.8-122.8-112.8 162.4 4.0 -10.1 -14.0 125 153 A Q S S+ 0 0 87 -2,-0.3 29,-0.2 1,-0.2 -89,-0.1 0.548 104.7 57.5 -77.0 -11.7 2.3 -6.8 -14.9 126 154 A T S S- 0 0 98 27,-0.1 -1,-0.2 28,-0.0 -3,-0.1 -0.766 77.9-161.7-121.8 85.4 -0.1 -7.2 -12.0 127 155 A P - 0 0 28 0, 0.0 -2,-0.0 0, 0.0 -5,-0.0 -0.350 26.1-108.4 -64.2 142.1 1.9 -7.5 -8.8 128 156 A R >> - 0 0 162 1,-0.1 4,-1.9 -2,-0.1 3,-0.6 -0.296 24.3-109.0 -69.7 156.1 -0.0 -8.9 -5.9 129 157 A A H 3> S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.863 118.5 57.0 -48.6 -43.8 -1.1 -6.9 -2.9 130 158 A E H 3> S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.844 106.4 48.4 -64.4 -34.8 1.4 -8.6 -0.7 131 159 A L H <> S+ 0 0 14 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.834 109.3 52.5 -73.7 -35.8 4.3 -7.6 -3.0 132 160 A K H X S+ 0 0 91 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 111.6 47.2 -64.0 -43.3 3.1 -3.9 -3.1 133 161 A E H X S+ 0 0 125 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.898 110.0 53.0 -63.2 -40.4 3.1 -4.0 0.8 134 162 A K H X S+ 0 0 80 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.922 110.5 48.3 -58.3 -41.9 6.6 -5.6 0.8 135 163 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.906 109.0 50.8 -69.6 -41.1 7.8 -2.8 -1.4 136 164 A T H X S+ 0 0 39 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.908 113.3 46.9 -60.8 -43.3 6.3 -0.0 0.7 137 165 A A H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.849 110.6 52.6 -68.5 -36.5 7.9 -1.5 3.7 138 166 A F H X S+ 0 0 20 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.941 110.5 47.4 -60.2 -47.1 11.2 -1.9 1.9 139 167 A C H ><>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-1.0 0.925 109.8 52.9 -60.3 -44.7 11.1 1.8 0.9 140 168 A K H ><5S+ 0 0 125 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.907 106.2 52.9 -58.8 -47.2 10.2 2.9 4.5 141 169 A A H 3<5S+ 0 0 80 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.741 107.2 54.4 -57.6 -23.9 13.2 0.9 5.8 142 170 A Q T <<5S- 0 0 63 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.135 124.2-102.6 -98.8 13.9 15.4 2.8 3.3 143 171 A G T < 5S+ 0 0 52 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.420 73.6 142.3 85.7 0.4 14.2 6.2 4.5 144 172 A F < - 0 0 8 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.1 -0.610 45.5-134.8 -78.6 132.5 11.7 7.0 1.8 145 173 A T > - 0 0 75 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.438 26.1-107.5 -78.7 158.4 8.6 8.7 2.9 146 174 A E G > S+ 0 0 131 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.751 118.0 63.8 -60.9 -23.5 5.2 7.5 1.6 147 175 A D G 3 S+ 0 0 125 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.744 100.6 51.4 -74.1 -22.2 5.0 10.6 -0.6 148 176 A T G < S+ 0 0 16 -3,-1.8 -126,-0.8 -127,-0.0 2,-0.5 0.339 90.3 99.9 -91.3 5.6 8.1 9.6 -2.6 149 177 A I E < -C 21 0A 23 -3,-1.1 2,-0.4 -4,-0.2 -128,-0.2 -0.817 50.6-178.5-103.7 127.7 6.7 6.0 -3.2 150 178 A V E -C 20 0A 30 -130,-2.8 -130,-2.6 -2,-0.5 2,-0.5 -0.982 19.4-154.6-133.8 124.8 5.1 5.4 -6.6 151 179 A F E -C 19 0A 74 -2,-0.4 -132,-0.3 -132,-0.2 -133,-0.1 -0.854 23.6-136.1 -95.1 130.1 3.4 2.4 -8.1 152 180 A L - 0 0 14 -134,-1.8 2,-0.2 -2,-0.5 -120,-0.1 -0.750 16.6-132.9 -92.8 126.6 3.6 2.3 -11.8 153 181 A P 0 0 78 0, 0.0 -117,-2.8 0, 0.0 -27,-0.1 -0.590 360.0 360.0 -84.0 147.0 0.4 1.3 -13.6 154 182 A Q 0 0 145 -2,-0.2 -117,-0.1 -29,-0.2 -119,-0.0 -0.230 360.0 360.0 -54.5 360.0 0.3 -1.2 -16.5