==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-DEC-06 2E4J . COMPND 2 MOLECULE: PROSTAGLANDIN-H2 D-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.SHIMAMOTO,T.OHKUBO . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 60.5 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 . 50 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 20 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 9.0 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 1 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 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 . 2 2 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 23 A G 0 0 130 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-130.3 -12.5 -9.3 -36.5 2 24 A S + 0 0 122 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.746 360.0 109.8 -87.9 108.1 -9.4 -7.7 -35.2 3 25 A Q + 0 0 193 -2,-0.8 2,-0.3 2,-0.0 0, 0.0 -0.926 25.9 97.6-173.7 148.7 -9.3 -8.0 -31.4 4 26 A G + 0 0 20 -2,-0.3 2,-3.3 3,-0.0 -2,-0.0 -0.979 44.1 76.3 158.8-168.0 -7.5 -9.8 -28.6 5 27 A H S S+ 0 0 87 -2,-0.3 4,-0.1 1,-0.2 139,-0.0 -0.320 95.2 68.5 68.9 -65.3 -4.8 -9.5 -25.9 6 28 A D S S+ 0 0 61 -2,-3.3 -1,-0.2 138,-0.1 104,-0.1 0.834 88.6 84.5 -51.8 -34.7 -7.0 -7.3 -23.7 7 29 A T S S- 0 0 86 1,-0.1 2,-0.3 90,-0.0 90,-0.0 0.027 89.3-101.1 -61.1 175.6 -9.2 -10.3 -23.1 8 30 A V - 0 0 48 101,-0.0 91,-0.2 1,-0.0 92,-0.1 -0.802 33.5-101.4-105.9 146.5 -8.4 -12.9 -20.5 9 31 A Q - 0 0 65 89,-1.2 89,-0.1 -2,-0.3 91,-0.1 -0.515 42.6-130.0 -67.0 110.7 -6.9 -16.4 -21.0 10 32 A P S S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 71,-0.0 -0.301 80.5 15.5 -63.1 143.4 -9.8 -18.9 -21.0 11 33 A N S S- 0 0 139 1,-0.2 2,-0.4 -2,-0.0 70,-0.1 0.974 81.3-178.6 55.3 86.0 -9.4 -21.9 -18.7 12 34 A F - 0 0 27 68,-0.1 2,-0.5 88,-0.0 -1,-0.2 -0.916 18.9-159.6-119.0 144.3 -6.5 -21.0 -16.4 13 35 A Q > - 0 0 106 -2,-0.4 3,-1.4 1,-0.1 4,-0.4 -0.921 7.8-172.0-126.9 106.7 -4.9 -23.0 -13.6 14 36 A Q G >> S+ 0 0 60 -2,-0.5 3,-1.7 1,-0.3 4,-0.6 0.810 84.3 72.6 -63.8 -30.2 -2.9 -21.2 -11.0 15 37 A D G 34 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.743 93.7 55.8 -57.2 -22.8 -1.7 -24.6 -9.6 16 38 A K G <4 S+ 0 0 110 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.705 117.6 32.6 -82.4 -21.5 0.5 -24.8 -12.7 17 39 A F T <4 S+ 0 0 24 -3,-1.7 -2,-0.2 -4,-0.4 30,-0.2 0.161 90.7 132.2-118.8 15.2 2.1 -21.4 -11.9 18 40 A L < + 0 0 81 -4,-0.6 2,-0.3 -3,-0.2 30,-0.1 -0.234 45.0 45.2 -65.9 157.5 2.0 -21.7 -8.1 19 41 A G E S-A 47 0A 25 28,-1.0 28,-1.5 2,-0.1 2,-0.3 -0.771 101.7 -14.8 111.5-157.0 5.1 -20.9 -6.1 20 42 A R E -A 46 0A 137 -2,-0.3 2,-0.4 26,-0.2 26,-0.2 -0.687 59.2-172.6 -90.0 138.3 7.7 -18.1 -6.3 21 43 A W E -A 45 0A 13 24,-1.9 24,-1.4 -2,-0.3 108,-0.1 -0.985 16.0-137.8-137.5 128.2 7.8 -15.9 -9.4 22 44 A Y E -AB 44 128A 41 106,-0.6 106,-2.9 -2,-0.4 2,-0.3 -0.357 21.5-136.9 -76.1 158.3 10.3 -13.2 -10.4 23 45 A S E + B 0 127A 2 20,-0.8 104,-0.2 136,-0.3 20,-0.2 -0.858 38.7 145.6-119.2 154.8 9.0 -9.9 -11.9 24 46 A A E + 0 0 4 102,-1.4 2,-0.2 -2,-0.3 103,-0.2 0.076 56.7 67.1-178.8 44.1 10.3 -7.9 -14.9 25 47 A G E + B 0 126A 0 101,-0.8 101,-3.3 131,-0.2 2,-0.3 -0.664 42.2 145.0-176.3 115.9 7.4 -6.2 -16.6 26 48 A L E - B 0 125A 41 130,-0.4 130,-4.6 99,-0.2 2,-0.5 -0.943 24.4-156.5-157.0 131.6 4.9 -3.5 -15.7 27 49 A A E + B 0 124A 0 97,-1.2 97,-2.4 -2,-0.3 2,-0.3 -0.950 29.8 141.8-117.8 120.4 3.3 -0.8 -17.7 28 50 A S - 0 0 10 -2,-0.5 127,-0.2 95,-0.2 95,-0.1 -0.880 39.1-150.6-157.7 120.3 2.0 2.3 -15.9 29 51 A N + 0 0 97 93,-0.3 -1,-0.2 -2,-0.3 4,-0.2 0.977 46.2 146.6 -53.6 -63.0 2.0 6.0 -17.1 30 52 A S - 0 0 38 1,-0.1 -2,-0.0 2,-0.1 -1,-0.0 0.080 42.8-142.0 52.4-169.9 2.2 7.4 -13.6 31 53 A S S S+ 0 0 90 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.351 90.2 38.6-153.5 -46.8 4.1 10.7 -12.9 32 54 A W S > S+ 0 0 180 1,-0.2 3,-0.7 2,-0.1 4,-0.2 0.169 84.3 103.0-101.0 16.1 5.8 10.5 -9.5 33 55 A F T >> + 0 0 78 1,-0.2 4,-3.1 2,-0.2 3,-2.7 0.842 68.0 69.4 -66.0 -33.8 6.8 6.8 -10.0 34 56 A R H 3> S+ 0 0 158 -3,-0.4 4,-1.3 1,-0.3 -1,-0.2 0.834 91.2 60.7 -52.8 -35.2 10.4 7.9 -10.8 35 57 A E H <4 S+ 0 0 133 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.613 116.4 32.4 -69.3 -11.7 10.8 8.9 -7.2 36 58 A K H X4 S+ 0 0 115 -3,-2.7 3,-1.3 -4,-0.2 -2,-0.2 0.713 112.6 57.2-112.5 -37.0 10.1 5.3 -6.2 37 59 A K H >< S+ 0 0 104 -4,-3.1 3,-2.9 1,-0.3 -3,-0.2 0.722 85.2 84.4 -68.5 -21.1 11.5 3.3 -9.1 38 60 A A T 3< S+ 0 0 75 -4,-1.3 -1,-0.3 -5,-0.3 -3,-0.1 0.771 104.6 30.3 -52.4 -25.2 14.9 5.0 -8.4 39 61 A V T < S+ 0 0 73 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.2 -0.087 89.3 171.6-123.9 30.8 15.3 2.3 -5.8 40 62 A L < - 0 0 39 -3,-2.9 2,-0.2 1,-0.1 -3,-0.1 -0.152 17.1-154.5 -46.4 128.7 13.3 -0.4 -7.6 41 63 A Y - 0 0 57 22,-0.1 2,-0.5 118,-0.1 22,-0.2 -0.709 30.9 -82.2-107.5 160.0 13.8 -3.8 -5.8 42 64 A M E -C 62 0A 0 20,-3.2 20,-3.1 -2,-0.2 2,-0.8 -0.453 45.3-137.3 -63.7 113.8 13.4 -7.3 -7.2 43 65 A C E +C 61 0A 24 -2,-0.5 -20,-0.8 116,-0.4 2,-0.7 -0.648 25.4 179.1 -78.9 111.3 9.7 -8.1 -7.1 44 66 A K E -A 22 0A 42 16,-2.7 16,-0.5 -2,-0.8 2,-0.3 -0.806 7.8-172.7-115.5 87.5 9.2 -11.6 -5.8 45 67 A T E -A 21 0A 3 -24,-1.4 -24,-1.9 -2,-0.7 2,-0.5 -0.618 7.6-156.2 -83.9 138.8 5.5 -12.3 -5.8 46 68 A V E -AD 20 58A 45 12,-2.0 12,-2.1 -2,-0.3 2,-0.4 -0.965 4.4-152.6-119.2 122.9 4.2 -15.6 -4.2 47 69 A V E +A 19 0A 29 -28,-1.5 -28,-1.0 -2,-0.5 10,-0.2 -0.784 29.9 141.4 -97.4 135.5 0.9 -17.0 -5.2 48 70 A A - 0 0 33 -2,-0.4 8,-3.7 8,-0.4 2,-0.1 -0.977 52.9 -81.7-164.6 157.3 -1.2 -19.2 -2.8 49 71 A P B -E 55 0A 106 0, 0.0 6,-0.3 0, 0.0 2,-0.1 -0.433 44.5-145.2 -68.3 136.2 -4.8 -19.9 -1.7 50 72 A S - 0 0 19 4,-3.0 4,-0.5 24,-0.2 6,-0.1 -0.462 28.2 -79.5 -96.6 171.3 -6.2 -17.4 0.8 51 73 A T S > S+ 0 0 110 2,-0.2 2,-2.8 1,-0.2 3,-1.2 -0.043 108.8 16.4 -61.6 170.4 -8.6 -18.0 3.7 52 74 A E T 3 S- 0 0 204 1,-0.2 -1,-0.2 2,-0.0 0, 0.0 -0.354 137.7 -47.1 64.2 -74.4 -12.4 -18.3 3.1 53 75 A G T 3 S+ 0 0 55 -2,-2.8 -1,-0.2 2,-0.0 -2,-0.2 0.173 107.2 89.6 176.2 44.4 -12.0 -18.9 -0.6 54 76 A G S < S- 0 0 13 -3,-1.2 -4,-3.0 -4,-0.5 2,-0.4 -0.415 72.1 -79.4-129.1-155.3 -9.6 -16.5 -2.3 55 77 A L E -EF 49 74A 14 19,-3.0 19,-3.3 -6,-0.3 2,-0.7 -0.967 24.0-152.1-122.2 133.9 -5.9 -16.0 -3.1 56 78 A N E - F 0 73A 51 -8,-3.7 2,-0.7 -2,-0.4 -8,-0.4 -0.876 14.3-170.2-106.3 103.9 -3.1 -14.8 -0.8 57 79 A L E - F 0 72A 13 15,-2.7 15,-2.2 -2,-0.7 2,-0.7 -0.844 4.5-161.5 -98.6 114.4 -0.4 -13.1 -2.8 58 80 A T E -DF 46 71A 49 -12,-2.1 -12,-2.0 -2,-0.7 2,-0.3 -0.844 8.1-158.9 -98.9 115.1 2.7 -12.4 -0.7 59 81 A S E - F 0 70A 3 11,-1.6 11,-3.2 -2,-0.7 2,-0.4 -0.723 11.0-179.0 -95.1 142.5 5.0 -9.7 -2.3 60 82 A T E - F 0 69A 28 -16,-0.5 -16,-2.7 -2,-0.3 2,-0.7 -0.943 16.1-151.7-144.7 118.9 8.7 -9.4 -1.4 61 83 A F E -CF 43 68A 38 7,-2.4 7,-1.4 -2,-0.4 2,-0.6 -0.811 14.9-166.1 -94.3 113.4 11.1 -6.8 -2.8 62 84 A L E +CF 42 67A 13 -20,-3.1 -20,-3.2 -2,-0.7 2,-0.2 -0.885 19.3 154.6-104.5 119.5 14.6 -8.1 -2.9 63 85 A R - 0 0 59 3,-1.8 100,-0.1 -2,-0.6 -22,-0.1 -0.747 59.9 -89.8-131.9 178.8 17.4 -5.5 -3.4 64 86 A K S S+ 0 0 199 -2,-0.2 3,-0.1 1,-0.1 -23,-0.0 0.767 124.3 46.0 -62.0 -25.9 21.1 -5.1 -2.7 65 87 A N S S- 0 0 92 1,-0.3 2,-0.2 98,-0.0 -1,-0.1 0.969 121.9 -57.7 -79.7 -75.6 20.1 -3.5 0.6 66 88 A Q - 0 0 94 -5,-0.1 -3,-1.8 2,-0.0 2,-0.3 -0.773 52.2 -87.1-152.6-164.2 17.5 -5.7 2.2 67 89 A A E -F 62 0A 53 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.935 22.8-158.8-124.6 147.3 14.0 -7.2 1.6 68 90 A E E -F 61 0A 85 -7,-1.4 -7,-2.4 -2,-0.3 2,-0.7 -0.986 11.0-145.8-127.8 124.2 10.5 -5.9 2.2 69 91 A T E -F 60 0A 110 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.2 -0.801 19.5-172.5 -93.9 116.6 7.4 -8.1 2.6 70 92 A K E -F 59 0A 97 -11,-3.2 -11,-1.6 -2,-0.7 2,-0.5 -0.673 18.5-127.6-103.6 159.5 4.2 -6.6 1.2 71 93 A I E +F 58 0A 105 -2,-0.2 2,-0.4 -13,-0.2 -13,-0.2 -0.934 29.2 168.2-113.8 124.9 0.7 -8.0 1.5 72 94 A M E -F 57 0A 53 -15,-2.2 -15,-2.7 -2,-0.5 2,-0.5 -0.962 12.2-166.5-137.7 117.4 -1.6 -8.6 -1.5 73 95 A V E -F 56 0A 70 -2,-0.4 2,-0.6 -17,-0.2 -17,-0.2 -0.901 2.8-162.7-108.4 128.8 -4.8 -10.5 -1.4 74 96 A L E -F 55 0A 12 -19,-3.3 -19,-3.0 -2,-0.5 -24,-0.2 -0.917 5.0-164.8-113.5 109.8 -6.6 -11.6 -4.6 75 97 A Q E -G 84 0A 113 -2,-0.6 9,-1.3 9,-0.6 -21,-0.2 -0.820 31.1-108.2 -95.7 124.9 -10.2 -12.6 -4.2 76 98 A P E -G 83 0A 63 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 -0.238 26.2-165.8 -52.6 127.8 -11.8 -14.6 -7.1 77 99 A A - 0 0 53 5,-3.8 6,-0.2 2,-0.3 -2,-0.0 0.858 58.5 -78.0 -84.2 -39.5 -14.2 -12.4 -9.1 78 100 A G S S+ 0 0 72 4,-0.9 5,-0.1 1,-0.4 0, 0.0 0.032 106.7 66.3 170.0 -45.4 -15.8 -15.3 -11.0 79 101 A A S > S- 0 0 50 3,-0.2 3,-1.9 1,-0.0 2,-1.0 -0.840 95.9 -91.8-105.7 139.9 -13.7 -16.4 -13.9 80 102 A P T 3 S+ 0 0 80 0, 0.0 -68,-0.1 0, 0.0 3,-0.1 -0.220 120.1 21.4 -49.0 89.9 -10.3 -18.1 -13.5 81 103 A G T 3 S+ 0 0 1 -2,-1.0 17,-2.4 1,-0.2 2,-0.4 0.568 98.5 104.1 121.4 20.5 -8.1 -15.0 -13.6 82 104 A H E < + H 0 97A 71 -3,-1.9 -5,-3.8 15,-0.2 -4,-0.9 -0.968 40.5 156.7-134.4 115.1 -10.5 -12.2 -12.7 83 105 A Y E -GH 76 96A 26 13,-2.2 13,-1.2 -2,-0.4 2,-0.4 -0.819 34.4-125.8-132.9 173.3 -10.4 -10.7 -9.2 84 106 A T E -GH 75 95A 62 -9,-1.3 -9,-0.6 -2,-0.3 11,-0.2 -0.983 10.6-172.5-127.1 123.2 -11.3 -7.5 -7.4 85 107 A Y + 0 0 56 9,-1.7 10,-0.1 -2,-0.4 -11,-0.0 -0.191 41.0 138.2-104.5 40.0 -8.9 -5.5 -5.3 86 108 A S + 0 0 67 7,-0.1 7,-0.1 1,-0.1 6,-0.1 0.093 23.3 168.8 -69.9-170.7 -11.5 -3.1 -3.8 87 109 A S + 0 0 92 4,-0.3 -1,-0.1 5,-0.2 6,-0.1 0.139 50.2 71.0-168.0 -56.3 -11.6 -2.0 -0.2 88 110 A P S S- 0 0 61 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.323 79.6-115.6 -60.3-160.9 -14.0 0.9 0.5 89 111 A H S S+ 0 0 179 1,-0.2 3,-0.1 -3,-0.1 2,-0.1 0.335 97.5 14.0-123.3 0.8 -17.8 0.6 0.4 90 112 A S S S- 0 0 98 1,-0.4 -1,-0.2 2,-0.1 2,-0.2 -0.358 118.4 -16.8-178.6 89.3 -18.6 2.9 -2.5 91 113 A G S S+ 0 0 29 -3,-0.1 -1,-0.4 -2,-0.1 -4,-0.3 -0.528 85.1 85.8 106.4-174.9 -15.9 4.1 -4.9 92 114 A S + 0 0 58 -2,-0.2 23,-0.3 1,-0.2 2,-0.3 0.924 68.9 130.6 40.1 72.1 -12.1 4.3 -4.9 93 115 A I E - I 0 114A 53 21,-0.8 21,-1.4 23,-0.2 2,-0.3 -0.870 36.6-166.4-142.3 175.0 -11.5 0.8 -6.2 94 116 A H E - I 0 113A 54 -2,-0.3 -9,-1.7 19,-0.2 2,-0.3 -0.980 4.7-156.0-162.6 154.3 -9.5 -1.2 -8.8 95 117 A S E -HI 84 112A 41 17,-1.3 17,-2.5 -2,-0.3 2,-0.3 -0.875 2.0-157.1-133.8 166.8 -9.4 -4.7 -10.4 96 118 A V E -HI 83 111A 28 -13,-1.2 -13,-2.2 -2,-0.3 2,-0.3 -0.993 7.2-171.1-145.4 149.4 -7.0 -7.0 -12.2 97 119 A S E -HI 82 110A 19 13,-3.0 13,-2.6 -2,-0.3 2,-0.5 -0.859 29.6-100.0-135.9 170.4 -7.2 -9.9 -14.6 98 120 A V E - I 0 109A 5 -17,-2.4 -89,-1.2 -2,-0.3 11,-0.3 -0.825 28.4-179.0 -97.4 126.2 -5.0 -12.5 -16.2 99 121 A V E - 0 0 2 9,-3.1 -90,-0.3 -2,-0.5 2,-0.3 0.955 53.9 -58.2 -84.8 -67.4 -3.8 -11.9 -19.8 100 122 A E E - I 0 108A 52 8,-1.3 8,-1.1 -92,-0.1 2,-0.3 -0.947 40.3-143.0-176.0 157.4 -1.8 -15.0 -20.7 101 123 A A E - I 0 107A 17 -2,-0.3 2,-1.5 6,-0.2 5,-0.2 -0.890 30.3-109.1-130.3 160.5 1.3 -17.1 -19.8 102 124 A N S S- 0 0 77 3,-2.8 2,-3.2 4,-0.7 5,-0.1 -0.566 73.1 -77.8 -89.8 73.9 4.0 -19.0 -21.7 103 125 A Y S S- 0 0 189 -2,-1.5 -1,-0.1 1,-0.2 3,-0.1 -0.334 118.5 -9.2 69.3 -66.7 2.9 -22.5 -20.9 104 126 A D S S+ 0 0 57 -2,-3.2 2,-0.3 1,-0.1 -1,-0.2 -0.081 128.6 53.8-154.4 40.7 4.3 -22.3 -17.4 105 127 A E S S+ 0 0 56 1,-0.3 -3,-2.8 -84,-0.0 24,-0.1 -0.966 79.2 41.7-170.6 157.0 6.4 -19.1 -17.3 106 128 A Y - 0 0 20 -2,-0.3 -4,-0.7 -5,-0.2 2,-0.3 0.985 68.1-149.1 61.6 83.1 6.2 -15.4 -17.8 107 129 A A E -I 101 0A 15 -6,-0.2 20,-3.3 21,-0.1 2,-0.5 -0.662 10.5-163.4 -86.8 137.3 2.8 -14.4 -16.4 108 130 A L E +IJ 100 126A 6 -8,-1.1 -9,-3.1 -2,-0.3 -8,-1.3 -0.970 10.9 176.4-125.7 118.6 1.0 -11.4 -17.9 109 131 A L E -IJ 98 125A 24 16,-4.0 16,-2.5 -2,-0.5 2,-0.5 -0.842 20.5-138.0-119.0 156.5 -1.9 -9.7 -16.1 110 132 A F E -IJ 97 124A 19 -13,-2.6 -13,-3.0 -2,-0.3 2,-0.4 -0.958 14.3-158.7-118.7 128.6 -4.0 -6.6 -16.9 111 133 A S E -IJ 96 123A 17 12,-2.6 12,-0.9 -2,-0.5 2,-0.5 -0.879 8.3-169.7-109.7 138.1 -5.0 -4.0 -14.4 112 134 A R E -I 95 0A 116 -17,-2.5 -17,-1.3 -2,-0.4 2,-0.2 -0.784 14.3-171.3-125.8 86.0 -7.9 -1.6 -14.7 113 135 A G E +I 94 0A 10 8,-0.5 8,-4.1 -2,-0.5 -19,-0.2 -0.538 19.8 155.0 -80.9 144.0 -7.6 1.1 -12.0 114 136 A T E +I 93 0A 54 -21,-1.4 -21,-0.8 6,-0.2 2,-0.6 -0.329 12.8 177.4-166.0 69.0 -10.4 3.6 -11.4 115 137 A K - 0 0 89 -23,-0.3 3,-0.4 -24,-0.1 -21,-0.1 -0.716 58.1 -7.0 -85.9 121.2 -10.4 4.9 -7.9 116 138 A G S S- 0 0 29 -2,-0.6 -23,-0.2 1,-0.2 3,-0.1 -0.722 126.8 -13.4 101.1-151.4 -13.1 7.5 -7.2 117 139 A P S S- 0 0 150 0, 0.0 -1,-0.2 0, 0.0 -26,-0.0 0.871 125.5 -53.1 -55.6 -39.7 -15.5 9.1 -9.7 118 140 A G + 0 0 46 -3,-0.4 -2,-0.1 2,-0.0 -4,-0.1 -0.015 59.5 165.8 155.8 92.9 -13.5 7.8 -12.6 119 141 A Q - 0 0 126 -3,-0.1 -5,-0.1 2,-0.0 -6,-0.1 0.764 39.3-141.5 -90.5 -30.2 -9.7 8.2 -13.2 120 142 A D - 0 0 130 1,-0.1 2,-0.3 -8,-0.1 -6,-0.2 0.997 24.4-171.2 64.6 77.9 -9.4 5.5 -15.9 121 143 A F - 0 0 78 -8,-4.1 -8,-0.5 -92,-0.0 2,-0.4 -0.790 14.2-167.1-103.2 144.2 -6.1 3.9 -15.1 122 144 A R + 0 0 123 -2,-0.3 -93,-0.3 -10,-0.2 2,-0.3 -0.782 19.9 159.6-133.9 90.7 -4.4 1.3 -17.3 123 145 A M E - J 0 111A 67 -12,-0.9 -12,-2.6 -2,-0.4 2,-0.4 -0.793 23.9-146.2-111.2 154.1 -1.5 -0.6 -15.8 124 146 A A E -BJ 27 110A 1 -97,-2.4 -97,-1.2 -2,-0.3 2,-0.5 -0.941 1.4-153.5-123.3 144.1 0.1 -3.9 -16.8 125 147 A T E +BJ 26 109A 27 -16,-2.5 -16,-4.0 -2,-0.4 2,-0.4 -0.964 17.0 173.6-118.8 125.8 1.6 -6.7 -14.7 126 148 A L E -BJ 25 108A 0 -101,-3.3 -102,-1.4 -2,-0.5 -101,-0.8 -0.997 14.2-153.3-134.3 133.3 4.3 -9.0 -16.1 127 149 A Y E -B 23 0A 28 -20,-3.3 -104,-0.3 -2,-0.4 2,-0.2 -0.772 13.4-129.2-108.6 150.9 6.3 -11.7 -14.3 128 150 A S E -B 22 0A 2 -106,-2.9 -106,-0.6 -2,-0.3 -22,-0.2 -0.591 18.1-177.5 -96.4 159.1 9.7 -13.1 -15.2 129 151 A R + 0 0 91 3,-0.2 2,-0.3 -2,-0.2 4,-0.1 -0.117 54.8 63.3-151.0 48.2 10.9 -16.7 -15.6 130 152 A T S S- 0 0 44 2,-0.3 4,-0.1 1,-0.1 -108,-0.1 -0.908 90.3 -88.9-154.8-179.0 14.7 -16.8 -16.3 131 153 A Q S S+ 0 0 186 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.940 112.9 9.1 -63.5 -45.6 18.1 -16.0 -14.9 132 154 A T S S- 0 0 73 1,-0.2 -2,-0.3 28,-0.1 -3,-0.2 -0.302 113.0 -49.0-115.1-160.9 17.9 -12.5 -16.3 133 155 A L - 0 0 83 -2,-0.1 2,-0.5 -5,-0.1 -1,-0.2 -0.495 52.4-132.6 -76.8 146.3 15.1 -10.5 -18.1 134 156 A K > - 0 0 10 -2,-0.2 4,-1.7 1,-0.1 3,-0.1 -0.883 8.6-159.4-105.3 125.9 13.2 -12.2 -20.9 135 157 A D H > S+ 0 0 112 -2,-0.5 4,-3.9 2,-0.2 5,-0.3 0.841 88.6 67.7 -68.5 -35.5 12.6 -10.3 -24.1 136 158 A E H > S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.925 110.2 35.7 -51.5 -46.9 9.7 -12.4 -25.1 137 159 A L H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.867 115.1 56.3 -74.6 -36.1 7.7 -11.0 -22.2 138 160 A K H X S+ 0 0 87 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.887 116.1 38.4 -60.8 -39.3 9.4 -7.6 -22.7 139 161 A E H X S+ 0 0 114 -4,-3.9 4,-3.7 2,-0.2 5,-0.3 0.941 118.2 45.4 -74.8 -55.4 8.1 -7.6 -26.3 140 162 A K H X S+ 0 0 112 -4,-2.8 4,-1.4 -5,-0.3 -2,-0.2 0.830 118.2 44.4 -61.5 -34.9 4.7 -9.2 -25.8 141 163 A F H X S+ 0 0 1 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.911 121.6 37.1 -77.5 -43.7 3.9 -7.0 -22.8 142 164 A T H X S+ 0 0 27 -4,-1.4 4,-4.0 -5,-0.4 5,-0.4 0.877 117.0 52.1 -75.8 -38.5 5.2 -3.8 -24.3 143 165 A T H X S+ 0 0 76 -4,-3.7 4,-3.3 2,-0.2 5,-0.3 0.929 110.8 47.3 -64.0 -45.1 4.0 -4.6 -27.8 144 166 A F H X S+ 0 0 11 -4,-1.4 4,-1.0 -5,-0.3 -1,-0.2 0.910 119.3 41.3 -61.9 -42.3 0.5 -5.3 -26.6 145 167 A S H < S+ 0 0 8 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.922 122.1 38.7 -71.2 -47.7 0.5 -2.1 -24.5 146 168 A K H >X S+ 0 0 108 -4,-4.0 3,-1.9 1,-0.2 4,-1.5 0.877 112.7 56.6 -72.2 -38.0 2.1 0.1 -27.1 147 169 A A H 3< S+ 0 0 68 -4,-3.3 -1,-0.2 -5,-0.4 -2,-0.2 0.816 106.8 51.2 -62.4 -30.2 0.3 -1.5 -30.0 148 170 A Q T 3< S- 0 0 105 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.268 144.3 -64.7 -90.2 11.1 -3.0 -0.6 -28.3 149 171 A G T <4 S+ 0 0 58 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.816 101.5 85.0 104.3 73.2 -1.8 3.0 -27.9 150 172 A L < - 0 0 43 -4,-1.5 2,-0.3 -7,-0.1 -1,-0.2 -0.952 38.2-179.8-173.7-173.1 1.2 3.3 -25.6 151 173 A T > - 0 0 48 -2,-0.3 3,-2.9 -4,-0.0 -4,-0.0 -0.931 62.3 -34.6-176.9-161.6 5.0 3.2 -25.4 152 174 A E G > S+ 0 0 159 1,-0.3 3,-1.3 -2,-0.3 -6,-0.0 0.750 119.7 76.5 -51.2 -25.0 8.1 3.6 -23.1 153 175 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -126,-0.1 -126,-0.0 0.603 102.1 39.4 -63.7 -10.1 6.0 6.2 -21.3 154 176 A D G < S+ 0 0 8 -3,-2.9 2,-0.4 -127,-0.1 -1,-0.3 -0.269 96.4 97.6-134.7 48.1 4.1 3.3 -19.8 155 177 A I < + 0 0 40 -3,-1.3 2,-0.4 -128,-0.3 -128,-0.3 -0.977 34.1 165.9-143.6 129.4 6.8 0.7 -19.0 156 178 A V - 0 0 22 -130,-4.6 -130,-0.4 -2,-0.4 2,-0.4 -0.953 14.5-161.8-144.8 119.6 8.7 -0.2 -15.8 157 179 A F - 0 0 47 -2,-0.4 -133,-0.1 -132,-0.2 -117,-0.1 -0.820 15.4-131.7-104.7 141.4 10.7 -3.4 -15.3 158 180 A L - 0 0 24 -2,-0.4 -116,-0.2 1,-0.1 -117,-0.0 -0.621 33.1 -95.9 -90.3 148.4 11.7 -4.7 -11.9 159 181 A P - 0 0 43 0, 0.0 -116,-0.4 0, 0.0 -136,-0.3 -0.034 44.7 -95.9 -56.9 162.8 15.3 -5.8 -11.1 160 182 A Q - 0 0 115 1,-0.2 -118,-0.2 -118,-0.1 -28,-0.1 -0.276 68.2 -46.0 -76.8 166.3 16.5 -9.4 -11.3 161 183 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.168 66.0-162.1 -30.8 143.8 16.6 -11.8 -8.3 162 184 A D + 0 0 41 1,-0.3 -99,-0.1 -120,-0.1 -98,-0.1 -0.868 49.4 16.5-133.1 167.0 18.2 -10.4 -5.2 163 185 A K - 0 0 96 -2,-0.3 -1,-0.3 -100,-0.1 -99,-0.0 0.867 58.2-157.5 32.9 92.0 19.8 -11.5 -1.9 164 186 A A S S+ 0 0 107 -3,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.917 73.9 59.0 -59.7 -46.0 20.5 -15.2 -2.5 165 187 A I S S- 0 0 110 1,-0.0 2,-0.3 0, 0.0 -3,-0.0 -0.080 75.5-143.4 -75.4-179.0 20.5 -15.9 1.2 166 188 A Q 0 0 172 1,-0.1 -2,-0.0 0, 0.0 -3,-0.0 -0.877 360.0 360.0-154.8 116.8 17.7 -15.3 3.7 167 189 A E 0 0 262 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.855 360.0 360.0 -96.0 360.0 17.9 -14.2 7.3