==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-DEC-02 1NF9 . COMPND 2 MOLECULE: PHENAZINE BIOSYNTHESIS PROTEIN PHZD; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.PARSONS,K.CALABRESE,E.EISENSTEIN,J.E.LADNER . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 0 0.0 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 12 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 3 2 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 2 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 201 0, 0.0 96,-0.2 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 -59.7 2.9 16.2 84.4 2 2 A S - 0 0 34 2,-0.2 96,-0.1 1,-0.1 91,-0.1 0.778 360.0-137.2 -79.0 -26.6 5.3 16.4 81.4 3 3 A G + 0 0 38 1,-0.2 -1,-0.1 89,-0.1 91,-0.1 0.366 68.6 117.6 87.9 -4.0 3.2 14.9 78.6 4 4 A I - 0 0 22 90,-0.1 -1,-0.2 1,-0.0 -2,-0.2 -0.829 56.4-143.4-108.5 123.9 6.3 13.0 77.4 5 5 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.146 34.8 -77.9 -80.9 173.7 6.1 9.3 77.6 6 6 A E - 0 0 186 1,-0.0 2,-0.5 41,-0.0 41,-0.1 -0.682 53.6-142.4 -65.9 125.6 8.8 6.8 78.4 7 7 A I - 0 0 13 39,-0.6 2,-0.3 -2,-0.4 174,-0.1 -0.911 9.1-154.1-104.0 118.8 10.9 6.5 75.3 8 8 A T - 0 0 114 -2,-0.5 174,-0.1 172,-0.4 39,-0.0 -0.663 32.3 -98.8 -85.0 135.6 12.4 3.2 74.1 9 9 A A + 0 0 51 -2,-0.3 173,-0.1 172,-0.1 -1,-0.1 -0.257 48.2 170.5 -56.7 140.4 15.6 3.2 72.0 10 10 A Y - 0 0 20 171,-0.1 2,-0.3 -3,-0.0 -3,-0.0 -0.977 36.3-100.9-147.5 154.2 15.1 2.9 68.2 11 11 A P - 0 0 92 0, 0.0 3,-0.1 0, 0.0 40,-0.1 -0.593 37.5-115.1 -76.4 138.1 17.4 3.2 65.2 12 12 A L - 0 0 31 -2,-0.3 163,-0.1 1,-0.1 166,-0.1 -0.448 46.4 -94.3 -61.3 145.3 17.3 6.4 63.2 13 13 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.276 35.2-139.7 -70.0 148.7 16.0 5.8 59.7 14 14 A T >> - 0 0 54 -3,-0.1 3,-1.8 187,-0.1 4,-0.6 -0.590 32.1 -97.5 -98.0 165.3 18.4 5.1 56.8 15 15 A A G >4 S+ 0 0 32 1,-0.3 3,-0.9 -2,-0.2 -1,-0.1 0.838 124.2 55.1 -48.8 -38.8 18.0 6.5 53.2 16 16 A Q G 34 S+ 0 0 167 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.739 104.1 53.9 -74.0 -19.5 16.5 3.2 52.2 17 17 A Q G <4 S+ 0 0 117 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.502 85.0 109.9 -92.1 -6.2 13.8 3.3 54.8 18 18 A L S << S- 0 0 27 -3,-0.9 2,-0.1 -4,-0.6 3,-0.1 -0.334 73.3-114.0 -74.7 147.3 12.5 6.8 53.8 19 19 A P - 0 0 36 0, 0.0 180,-0.2 0, 0.0 2,-0.2 -0.486 45.9 -91.9 -71.1 154.4 9.1 7.3 52.2 20 20 A A - 0 0 82 -2,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.483 38.0-122.5 -68.1 137.8 9.3 8.5 48.6 21 21 A N - 0 0 36 -2,-0.2 173,-0.1 1,-0.1 177,-0.1 -0.607 19.0-167.8 -75.7 138.3 9.2 12.3 48.2 22 22 A L S S+ 0 0 124 171,-1.8 -1,-0.1 -2,-0.3 172,-0.1 0.711 70.1 71.5 -98.3 -23.9 6.4 13.5 46.0 23 23 A A S S- 0 0 24 170,-0.5 -2,-0.1 174,-0.3 173,-0.0 -0.306 70.6-147.5 -79.4 176.5 7.8 17.0 45.7 24 24 A R + 0 0 195 -2,-0.1 2,-0.1 174,-0.0 -1,-0.1 -0.063 39.8 146.4-138.4 32.8 11.0 17.8 43.7 25 25 A W - 0 0 72 145,-0.1 2,-0.4 1,-0.0 -2,-0.0 -0.374 33.3-151.1 -73.1 152.7 12.6 20.7 45.6 26 26 A S - 0 0 89 -2,-0.1 2,-0.2 2,-0.0 143,-0.1 -0.993 18.6-120.3-130.0 121.7 16.4 21.1 45.7 27 27 A L - 0 0 36 -2,-0.4 3,-0.1 3,-0.0 117,-0.0 -0.466 25.9-171.8 -67.4 125.6 18.2 22.7 48.7 28 28 A E >> - 0 0 60 -2,-0.2 3,-2.3 1,-0.1 4,-0.6 -0.988 19.5-144.4-117.5 118.9 20.3 25.7 47.8 29 29 A P G >4 S+ 0 0 33 0, 0.0 3,-1.5 0, 0.0 43,-0.3 0.809 98.7 58.8 -49.7 -42.9 22.5 27.1 50.6 30 30 A R G 34 S+ 0 0 163 1,-0.3 -3,-0.0 41,-0.1 40,-0.0 0.677 111.4 42.4 -59.1 -24.9 22.0 30.7 49.6 31 31 A R G <4 S+ 0 0 41 -3,-2.3 113,-1.6 111,-0.1 112,-0.8 0.499 103.0 97.1 -94.8 -8.9 18.2 30.3 50.0 32 32 A A E << -a 144 0A 0 -3,-1.5 40,-1.6 -4,-0.6 2,-0.4 -0.605 45.3-170.0-111.2 150.1 18.2 28.3 53.3 33 33 A V E -ab 145 72A 0 111,-1.9 113,-3.2 -2,-0.2 2,-0.6 -0.974 21.5-140.1-118.1 138.2 17.9 28.5 57.0 34 34 A L E -ab 146 73A 0 38,-2.9 40,-2.6 -2,-0.4 2,-0.7 -0.933 15.5-154.3 -96.4 120.0 18.7 25.6 59.3 35 35 A L E -ab 147 74A 0 111,-3.2 113,-2.1 -2,-0.6 2,-1.0 -0.881 4.6-161.7 -94.7 114.4 16.1 25.4 62.1 36 36 A V E -ab 148 75A 2 38,-3.4 40,-2.0 -2,-0.7 2,-0.8 -0.850 23.2-151.0 -93.1 96.9 17.5 23.7 65.2 37 37 A H E -ab 149 76A 0 111,-2.7 113,-2.1 -2,-1.0 40,-0.1 -0.715 54.4 -38.1 -91.5 107.8 14.2 22.9 66.9 38 38 A D S S+ 0 0 8 38,-0.9 2,-1.7 -2,-0.8 -1,-0.2 0.778 70.0 164.1 61.1 38.8 14.0 22.8 70.6 39 39 A M + 0 0 2 37,-0.4 69,-2.4 -3,-0.3 2,-0.2 -0.288 28.1 142.0 -83.7 55.7 17.4 21.1 71.2 40 40 A Q B >> -F 107 0B 0 -2,-1.7 4,-1.4 67,-0.3 3,-0.8 -0.633 66.0-111.6 -96.6 153.6 17.3 22.0 74.8 41 41 A R H 3> S+ 0 0 80 65,-2.5 4,-2.1 1,-0.3 3,-0.5 0.905 115.2 56.2 -52.2 -43.6 18.5 19.9 77.8 42 42 A Y H 34 S+ 0 0 38 62,-2.5 -1,-0.3 1,-0.2 63,-0.1 0.887 109.6 44.5 -61.0 -40.2 15.0 19.4 79.0 43 43 A F H <4 S+ 0 0 20 -3,-0.8 -1,-0.2 61,-0.3 -2,-0.2 0.729 114.6 48.3 -79.7 -18.2 13.7 17.9 75.7 44 44 A L H >< S+ 0 0 4 -4,-1.4 3,-1.6 -3,-0.5 -2,-0.2 0.723 92.1 77.8 -93.6 -22.9 16.7 15.6 75.2 45 45 A R T 3< S+ 0 0 137 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.848 88.5 57.0 -55.8 -40.0 16.8 14.2 78.8 46 46 A P T 3 S+ 0 0 44 0, 0.0 -39,-0.6 0, 0.0 -1,-0.3 0.670 89.2 96.6 -65.5 -14.7 13.8 11.7 78.1 47 47 A L S < S- 0 0 9 -3,-1.6 -39,-0.1 -4,-0.1 133,-0.1 -0.560 85.0-114.3 -76.7 137.4 15.8 10.2 75.2 48 48 A P >> - 0 0 32 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.341 34.3-110.5 -59.6 150.9 17.7 7.0 75.8 49 49 A E H 3> S+ 0 0 123 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.859 115.8 56.8 -61.5 -37.4 21.4 7.8 75.5 50 50 A S H 3> S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.889 112.8 41.7 -58.9 -37.2 21.8 5.8 72.3 51 51 A L H <> S+ 0 0 4 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.930 113.8 51.4 -78.7 -42.7 19.1 7.8 70.6 52 52 A R H X S+ 0 0 55 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.937 110.4 50.7 -55.2 -46.2 20.3 11.2 72.0 53 53 A A H X S+ 0 0 43 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.936 111.3 45.3 -62.3 -48.5 23.8 10.4 70.8 54 54 A G H X S+ 0 0 26 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.901 114.8 50.2 -61.3 -41.7 22.8 9.6 67.2 55 55 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.942 113.3 42.7 -59.5 -54.8 20.5 12.6 67.1 56 56 A V H X S+ 0 0 6 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.912 111.4 54.9 -67.8 -37.3 23.0 15.1 68.3 57 57 A A H X S+ 0 0 56 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.940 113.7 41.7 -64.6 -42.6 25.9 13.7 66.2 58 58 A N H X S+ 0 0 23 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.939 113.8 51.4 -66.9 -42.6 23.9 14.1 63.0 59 59 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.901 111.3 50.0 -62.5 -38.0 22.5 17.5 64.0 60 60 A A H X S+ 0 0 33 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.920 110.5 47.5 -67.8 -46.2 26.0 18.6 64.7 61 61 A R H X S+ 0 0 94 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.899 113.2 50.7 -58.0 -40.3 27.3 17.4 61.3 62 62 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.969 110.0 49.2 -62.6 -49.6 24.4 19.1 59.7 63 63 A R H X S+ 0 0 50 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.869 108.9 52.2 -61.2 -40.8 25.1 22.4 61.5 64 64 A R H X S+ 0 0 168 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.916 111.6 46.8 -63.6 -39.2 28.8 22.3 60.5 65 65 A W H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 6,-0.2 0.944 110.9 51.8 -64.0 -45.6 27.9 21.9 56.8 66 66 A C H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-1.0 0.964 112.1 46.9 -55.7 -50.8 25.3 24.6 57.0 67 67 A V H ><5S+ 0 0 74 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.930 112.4 49.0 -60.2 -44.3 28.0 26.9 58.5 68 68 A E H 3<5S+ 0 0 108 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.808 114.9 47.3 -61.3 -29.6 30.5 25.9 55.9 69 69 A Q H 3<5S- 0 0 94 -4,-2.2 -1,-0.2 -3,-0.5 -2,-0.2 0.510 115.6-104.0 -95.7 -5.3 28.0 26.5 53.1 70 70 A G T <<5 + 0 0 42 -4,-1.0 2,-0.4 -3,-0.8 -3,-0.2 0.696 65.6 150.8 89.8 16.7 26.5 29.9 54.1 71 71 A V < - 0 0 8 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.727 49.4-118.6 -83.3 133.3 23.2 28.6 55.4 72 72 A Q E -b 33 0A 39 -40,-1.6 -38,-2.9 -2,-0.4 2,-0.3 -0.612 27.2-142.3 -69.0 123.3 21.7 30.8 58.2 73 73 A I E -b 34 0A 3 -2,-0.4 45,-2.8 -40,-0.2 2,-0.3 -0.714 20.4-178.0 -91.2 142.1 21.4 29.0 61.5 74 74 A A E -bc 35 118A 0 -40,-2.6 -38,-3.4 -2,-0.3 2,-0.4 -0.995 9.7-158.3-139.8 140.8 18.4 29.5 63.8 75 75 A Y E -bc 36 119A 4 43,-2.7 45,-3.1 -2,-0.3 2,-0.4 -0.975 3.1-156.5-118.7 130.3 17.5 28.1 67.2 76 76 A T E +bc 37 120A 1 -40,-2.0 -38,-0.9 -2,-0.4 -37,-0.4 -0.863 21.2 168.2-100.0 144.9 14.1 27.8 68.8 77 77 A A E - c 0 121A 11 43,-1.7 45,-2.1 -2,-0.4 28,-0.1 -0.935 33.0-125.7-156.7 125.7 14.0 27.5 72.6 78 78 A Q - 0 0 18 -2,-0.3 45,-0.1 43,-0.2 43,-0.0 -0.490 23.7-131.9 -62.2 141.2 11.2 27.8 75.2 79 79 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 26,-0.1 0.710 39.2-131.1 -71.3 -27.9 11.9 30.4 77.8 80 80 A G S S+ 0 0 8 20,-0.1 19,-0.3 24,-0.1 20,-0.2 0.075 78.7 50.0 88.0 154.5 11.0 28.2 80.8 81 81 A S S S- 0 0 57 17,-2.8 18,-0.1 1,-0.2 16,-0.1 0.868 74.4-168.0 44.2 48.8 8.8 28.9 83.8 82 82 A M - 0 0 16 14,-0.5 -1,-0.2 16,-0.4 2,-0.0 -0.436 20.1-118.9 -60.7 140.6 6.0 30.1 81.6 83 83 A T > - 0 0 76 -3,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.273 31.5 -99.2 -70.9 169.6 3.3 31.8 83.6 84 84 A E H > S+ 0 0 161 1,-0.2 4,-2.0 2,-0.2 7,-0.2 0.922 126.2 46.5 -56.2 -47.3 -0.2 30.3 83.6 85 85 A E H 4 S+ 0 0 174 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.901 113.7 47.2 -63.4 -42.9 -1.3 32.8 81.0 86 86 A Q H 4 S+ 0 0 81 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.849 113.7 50.0 -61.1 -42.7 1.8 32.2 78.8 87 87 A R H >< S+ 0 0 14 -4,-2.9 3,-2.0 1,-0.1 4,-0.2 0.830 82.3 157.4 -67.1 -40.4 1.4 28.4 79.1 88 88 A G T >< S- 0 0 28 -4,-2.0 3,-1.6 1,-0.3 4,-0.2 -0.171 70.7 -5.8 46.6-132.2 -2.3 28.5 78.1 89 89 A L T >> S+ 0 0 142 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.434 116.7 83.1 -79.1 1.7 -3.5 25.2 76.8 90 90 A L H X> S+ 0 0 13 -3,-2.0 4,-2.9 1,-0.2 3,-1.0 0.860 81.9 68.5 -62.5 -33.3 -0.1 23.6 76.8 91 91 A K H <> S+ 0 0 118 -3,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.818 90.3 60.4 -53.0 -37.5 -0.8 22.9 80.5 92 92 A D H <4 S+ 0 0 107 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.803 121.9 19.0 -72.9 -26.2 -3.5 20.4 79.6 93 93 A F H << S+ 0 0 149 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.627 137.7 28.8-109.6 -20.5 -1.2 18.0 77.7 94 94 A W H >< S- 0 0 36 -4,-2.9 3,-0.6 1,-0.3 -3,-0.2 0.310 92.2-131.2-129.5 7.4 2.2 19.0 78.9 95 95 A G T 3< - 0 0 10 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 -0.230 61.5 -39.0 74.9-167.4 2.1 20.4 82.4 96 96 A P T 3 S- 0 0 78 0, 0.0 -14,-0.5 0, 0.0 -1,-0.2 0.672 89.0-143.3 -73.3 -15.0 3.7 23.6 83.5 97 97 A G < - 0 0 9 -3,-0.6 -16,-0.1 -96,-0.2 -94,-0.0 -0.213 38.3 -17.0 86.3-176.3 6.7 22.7 81.3 98 98 A M - 0 0 2 1,-0.1 -17,-2.8 -3,-0.1 -16,-0.4 -0.124 64.7-112.2 -64.8 156.7 10.4 23.3 81.8 99 99 A R - 0 0 99 -19,-0.3 6,-0.2 -18,-0.1 -1,-0.1 -0.404 24.5-115.8 -78.0 162.4 12.0 25.7 84.3 100 100 A A S S+ 0 0 55 -20,-0.2 -20,-0.1 -2,-0.1 -1,-0.1 0.044 78.9 118.9 -85.5 22.7 14.0 28.8 83.2 101 101 A S S >> S- 0 0 43 1,-0.1 4,-2.8 5,-0.0 3,-1.5 -0.713 78.6-116.9 -90.3 152.7 17.1 27.3 84.7 102 102 A P H 3> S+ 0 0 82 0, 0.0 4,-1.4 0, 0.0 -61,-0.2 0.812 113.0 65.4 -52.7 -35.7 20.2 26.5 82.6 103 103 A A H 34 S+ 0 0 61 1,-0.2 -3,-0.1 2,-0.1 0, 0.0 0.764 117.7 23.9 -65.4 -23.4 19.8 22.8 83.4 104 104 A D H <4 S+ 0 0 19 -3,-1.5 -62,-2.5 -63,-0.1 -61,-0.3 0.813 127.2 39.9 -99.4 -50.4 16.5 22.8 81.5 105 105 A R H < S+ 0 0 92 -4,-2.8 -2,-0.1 -6,-0.2 -5,-0.1 0.668 83.1 108.6 -89.8 -14.4 16.5 25.6 79.0 106 106 A E S < S- 0 0 86 -4,-1.4 -65,-2.5 -5,-0.4 2,-0.2 -0.366 73.0-115.7 -61.7 137.6 20.1 25.5 77.6 107 107 A V B -F 40 0B 28 -67,-0.2 -67,-0.3 1,-0.1 -1,-0.1 -0.517 50.7 -90.6 -63.3 135.2 20.7 24.3 74.1 108 108 A V > - 0 0 3 -69,-2.4 3,-2.9 -2,-0.2 -1,-0.1 -0.234 34.3-117.7 -59.9 140.8 22.9 21.2 74.4 109 109 A E G > S+ 0 0 139 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.806 110.4 63.8 -52.2 -37.9 26.6 22.0 74.3 110 110 A E G 3 S+ 0 0 76 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.689 110.6 39.2 -66.9 -14.2 27.2 20.0 71.2 111 111 A L G < S+ 0 0 2 -3,-2.9 -1,-0.3 -72,-0.2 -2,-0.2 0.006 83.5 167.5-116.4 22.6 24.9 22.4 69.3 112 112 A A < - 0 0 58 -3,-2.1 -3,-0.1 1,-0.1 -4,-0.1 -0.165 36.5-118.8 -46.7 122.1 26.1 25.5 71.0 113 113 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.289 23.0-139.8 -62.6 146.4 24.9 28.6 69.1 114 114 A G > - 0 0 24 1,-0.1 3,-2.2 4,-0.0 -41,-0.0 -0.618 29.7 -97.2 -99.9 168.7 27.3 31.0 67.6 115 115 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.675 121.3 52.5 -63.2 -17.8 27.0 34.8 67.6 116 116 A D T 3 S+ 0 0 132 2,-0.1 2,-0.2 0, 0.0 -43,-0.1 0.561 88.5 105.7 -92.9 -0.4 25.6 35.0 64.0 117 117 A D S < S- 0 0 22 -3,-2.2 2,-0.3 -45,-0.1 -43,-0.2 -0.519 73.8-117.3 -87.4 141.0 22.8 32.5 64.8 118 118 A W E -c 74 0A 33 -45,-2.8 -43,-2.7 -2,-0.2 2,-0.6 -0.581 22.2-153.2 -72.9 135.4 19.2 33.6 65.2 119 119 A L E -c 75 0A 111 -2,-0.3 2,-0.4 -45,-0.2 -43,-0.2 -0.920 14.6-173.9-112.2 115.8 17.7 33.0 68.6 120 120 A L E -c 76 0A 6 -45,-3.1 -43,-1.7 -2,-0.6 2,-0.5 -0.868 22.8-128.4-109.4 137.0 13.9 32.5 68.6 121 121 A T E -c 77 0A 65 -2,-0.4 2,-0.5 -45,-0.2 -43,-0.2 -0.746 24.3-142.4 -84.4 132.2 11.6 32.2 71.6 122 122 A K + 0 0 5 -45,-2.1 5,-0.1 -2,-0.5 8,-0.1 -0.839 33.6 156.4-102.7 127.2 9.4 29.2 71.4 123 123 A W + 0 0 58 6,-0.5 2,-0.2 -2,-0.5 -1,-0.2 0.715 63.6 9.2-117.4 -39.3 5.8 29.4 72.6 124 124 A R S S- 0 0 65 2,-0.5 -1,-0.2 5,-0.3 5,-0.1 -0.626 95.3 -71.5-135.5-171.9 3.8 26.8 70.8 125 125 A Y S S+ 0 0 84 -2,-0.2 2,-0.4 -3,-0.1 34,-0.3 0.930 111.4 67.5 -57.1 -46.8 4.2 23.8 68.6 126 126 A S S > S- 0 0 7 32,-0.2 3,-1.6 1,-0.1 -2,-0.5 -0.576 73.8-144.0 -83.2 137.4 5.2 25.9 65.5 127 127 A A T 3 S+ 0 0 2 -2,-0.4 6,-0.3 28,-0.3 -1,-0.1 0.704 104.0 57.3 -63.7 -27.5 8.5 27.8 65.5 128 128 A F T > S+ 0 0 21 5,-0.1 3,-1.4 4,-0.1 2,-0.4 0.619 80.1 109.9 -84.7 -13.7 6.6 30.5 63.6 129 129 A F T < S- 0 0 83 -3,-1.6 -6,-0.5 1,-0.3 -5,-0.3 -0.487 101.6 -18.0 -74.9 122.7 4.0 31.0 66.2 130 130 A H T 3 S+ 0 0 143 -2,-0.4 -1,-0.3 1,-0.2 2,-0.3 0.862 117.8 109.2 48.8 39.9 4.3 34.3 68.0 131 131 A S S < S- 0 0 34 -3,-1.4 3,-0.3 -11,-0.1 -1,-0.2 -0.878 76.3-124.9-130.7 170.1 7.9 34.6 66.7 132 132 A D S > S+ 0 0 59 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.078 75.4 112.3-103.1 20.3 9.7 36.7 64.1 133 133 A L H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.937 78.7 46.9 -55.1 -51.6 11.1 33.7 62.1 134 134 A L H > S+ 0 0 52 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.955 114.0 46.8 -61.6 -50.0 8.9 34.4 59.1 135 135 A Q H > S+ 0 0 122 1,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.901 113.4 50.0 -59.1 -38.5 9.7 38.1 59.0 136 136 A R H X S+ 0 0 68 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.911 109.6 50.0 -66.4 -43.3 13.4 37.3 59.5 137 137 A M H <>S+ 0 0 0 -4,-2.8 5,-2.5 -5,-0.2 4,-0.5 0.943 112.3 47.5 -59.3 -46.3 13.4 34.8 56.6 138 138 A R H ><5S+ 0 0 119 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.948 111.7 50.3 -57.9 -46.8 11.7 37.3 54.3 139 139 A A H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.720 112.0 47.5 -68.6 -21.3 14.2 40.0 55.3 140 140 A A T 3<5S- 0 0 46 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.429 111.7-120.4 -94.6 -0.1 17.2 37.7 54.6 141 141 A G T < 5 + 0 0 57 -3,-1.6 2,-0.5 -4,-0.5 -3,-0.2 0.810 65.0 143.4 66.5 29.2 15.7 36.6 51.3 142 142 A R < + 0 0 44 -5,-2.5 -1,-0.2 -6,-0.2 -110,-0.2 -0.911 22.3 167.4-111.8 128.1 15.7 33.0 52.4 143 143 A D + 0 0 49 -112,-0.8 26,-2.0 -2,-0.5 2,-0.4 0.054 53.2 78.0-129.6 24.3 12.8 30.8 51.3 144 144 A Q E -ad 32 169A 0 -113,-1.6 -111,-1.9 24,-0.2 2,-0.4 -0.991 57.9-158.7-133.2 142.2 14.0 27.3 52.2 145 145 A L E -ad 33 170A 0 24,-2.2 26,-2.8 -2,-0.4 2,-0.5 -0.983 4.0-163.0-125.9 124.9 13.9 25.7 55.6 146 146 A V E -ad 34 171A 1 -113,-3.2 -111,-3.2 -2,-0.4 2,-0.4 -0.891 21.3-153.7-102.0 126.0 16.1 22.7 56.8 147 147 A L E +ad 35 172A 0 24,-2.9 26,-2.1 -2,-0.5 2,-0.3 -0.907 24.6 154.9-117.0 137.2 14.7 21.2 60.0 148 148 A C E +a 36 0A 0 -113,-2.1 -111,-2.7 -2,-0.4 2,-0.3 -0.926 34.8 56.8-142.6 160.9 16.3 19.2 62.8 149 149 A G E +ad 37 177A 0 27,-2.3 29,-1.2 -2,-0.3 2,-0.3 -0.797 68.8 3.5 117.2-156.7 15.5 18.6 66.4 150 150 A V E S+ d 0 178A 1 -113,-2.1 29,-0.1 -2,-0.3 -2,-0.1 -0.936 95.8 13.1-136.2 152.5 12.6 17.2 68.6 151 151 A Y > > - 0 0 12 27,-0.6 5,-1.7 -2,-0.3 3,-0.9 0.559 58.1-162.5 -95.3 137.1 9.9 16.0 68.6 152 152 A A T 3 >S+ 0 0 1 26,-2.3 5,-1.4 1,-0.3 27,-0.1 0.887 87.9 40.4 -50.8 -47.5 9.4 14.9 65.0 153 153 A H T 3 5S+ 0 0 58 3,-0.2 -1,-0.3 4,-0.1 26,-0.1 0.642 123.5 36.7 -85.2 -10.6 5.6 14.4 65.1 154 154 A V T <>5S+ 0 0 18 -3,-0.9 4,-2.6 3,-0.1 5,-0.3 0.631 128.6 1.9-107.6-101.2 4.8 17.5 67.2 155 155 A G H >5S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 -28,-0.3 0.853 129.8 53.4 -63.7 -33.5 6.8 20.8 66.9 156 156 A V H >S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 3,-0.5 0.969 113.3 48.4 -59.6 -51.2 6.9 26.8 56.5 164 164 A Y H ><5S+ 0 0 104 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.926 107.5 55.7 -52.2 -46.4 5.2 25.0 53.6 165 165 A S H 3<5S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.872 105.4 52.6 -59.0 -35.3 2.1 27.0 54.1 166 166 A N T 3<5S- 0 0 43 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.205 123.2-107.0 -84.3 13.5 4.1 30.2 53.7 167 167 A D T < 5S+ 0 0 134 -3,-2.2 2,-0.6 1,-0.2 -3,-0.2 0.825 75.8 139.9 60.2 33.0 5.6 28.8 50.4 168 168 A I < - 0 0 1 -5,-2.4 -1,-0.2 -6,-0.2 -24,-0.2 -0.939 56.2-125.6-100.8 121.2 9.0 28.1 52.0 169 169 A Q E -d 144 0A 44 -26,-2.0 -24,-2.2 -2,-0.6 2,-0.3 -0.585 29.0-149.2 -72.1 115.6 10.3 24.8 50.7 170 170 A P E -d 145 0A 0 0, 0.0 28,-2.7 0, 0.0 2,-0.5 -0.722 14.7-162.9 -93.6 150.8 11.1 22.6 53.7 171 171 A F E -de 146 198A 8 -26,-2.8 -24,-2.9 -2,-0.3 2,-0.6 -0.985 11.0-158.7-125.4 109.0 13.8 19.9 54.0 172 172 A L E -de 147 199A 1 26,-2.6 28,-2.5 -2,-0.5 2,-1.1 -0.822 10.8-144.0 -99.1 117.4 13.2 17.5 56.9 173 173 A V E > - e 0 200A 0 -26,-2.1 3,-2.0 -2,-0.6 28,-0.2 -0.684 11.7-161.5 -90.8 99.6 16.3 15.7 58.0 174 174 A A E 3 S+ 0 0 0 26,-2.5 3,-0.3 -2,-1.1 27,-0.2 0.694 85.2 39.3 -59.9 -29.7 15.1 12.3 58.9 175 175 A D E 3 S+ 0 0 16 25,-0.3 -1,-0.3 1,-0.2 -117,-0.2 0.140 107.7 63.5-106.8 14.4 18.0 11.1 61.0 176 176 A A E < S+ 0 0 0 -3,-2.0 -27,-2.3 -29,-0.2 2,-0.3 0.036 96.7 69.1-120.5 27.2 18.6 14.5 62.7 177 177 A I E -d 149 0A 0 -3,-0.3 2,-0.3 -29,-0.3 -27,-0.2 -0.915 63.6-163.5-131.5 155.9 15.2 14.4 64.4 178 178 A A E -d 150 0A 0 -29,-1.2 -26,-2.3 -2,-0.3 -27,-0.6 -0.934 7.9-177.5-139.7 165.6 14.0 12.2 67.2 179 179 A D - 0 0 0 -2,-0.3 3,-0.1 -28,-0.2 4,-0.0 -0.861 45.0 -80.1-151.5-179.2 10.6 11.3 68.6 180 180 A F S S- 0 0 18 -2,-0.3 -172,-0.4 1,-0.1 2,-0.3 0.721 107.5 -11.8 -62.9 -29.8 8.5 9.4 71.2 181 181 A S S > S- 0 0 35 -174,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.965 72.4 -98.8-161.7 167.3 8.8 6.1 69.3 182 182 A E H > S+ 0 0 104 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.884 122.1 53.6 -59.8 -39.3 9.9 4.7 66.0 183 183 A A H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 107.9 48.8 -68.5 -39.8 6.3 4.6 64.8 184 184 A H H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 113.6 48.2 -59.8 -47.7 5.7 8.3 65.7 185 185 A H H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.931 111.9 48.4 -57.8 -46.8 8.9 9.2 63.8 186 186 A R H X S+ 0 0 115 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.917 110.0 51.4 -63.6 -43.0 8.0 7.1 60.8 187 187 A M H X S+ 0 0 99 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.889 107.4 53.4 -64.2 -37.2 4.5 8.6 60.6 188 188 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.911 109.6 49.0 -60.2 -39.8 6.0 12.1 60.7 189 189 A L H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.888 111.3 49.1 -66.6 -42.0 8.2 11.2 57.8 190 190 A E H X S+ 0 0 88 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.883 113.0 47.3 -62.9 -41.3 5.3 9.8 55.8 191 191 A Y H >X S+ 0 0 120 -4,-2.5 4,-1.4 2,-0.2 3,-0.5 0.942 114.1 46.9 -66.7 -50.0 3.2 12.9 56.5 192 192 A A H >X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-2.3 0.942 109.5 53.1 -56.9 -48.0 6.1 15.2 55.5 193 193 A A H 3<5S+ 0 0 5 -4,-2.8 -171,-1.8 1,-0.2 -170,-0.5 0.745 120.3 32.5 -63.4 -27.6 7.0 13.4 52.3 194 194 A S H <<5S+ 0 0 42 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.406 132.0 24.6-107.6 -5.0 3.4 13.5 51.0 195 195 A R H <<5S- 0 0 152 -4,-1.4 -3,-0.2 -3,-0.6 -2,-0.2 0.591 129.0 -2.5-134.5 -20.2 2.1 16.8 52.4 196 196 A C T <5S+ 0 0 3 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.2 0.505 102.6 28.7-159.3 6.5 4.8 19.4 53.2 197 197 A A < - 0 0 3 -5,-2.4 2,-0.5 -6,-0.2 -174,-0.3 -0.997 63.1-104.2-160.7 164.0 8.5 18.6 52.7 198 198 A M E -e 171 0A 20 -28,-2.7 -26,-2.6 -2,-0.3 2,-0.5 -0.900 39.8-145.8 -86.7 130.4 11.4 16.9 51.1 199 199 A V E +e 172 0A 2 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.866 30.4 160.3-101.6 130.4 12.6 14.1 53.5 200 200 A V E -e 173 0A 24 -28,-2.5 -26,-2.5 -2,-0.5 -25,-0.3 -0.940 35.5-116.8-143.4 156.9 16.3 13.5 53.4 201 201 A T > - 0 0 5 -2,-0.3 4,-1.9 -28,-0.2 5,-0.2 -0.581 34.0-109.2 -93.3 165.6 19.1 12.0 55.5 202 202 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.910 120.6 52.4 -57.8 -42.2 22.0 14.0 56.9 203 203 A D H > S+ 0 0 95 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.917 106.2 53.2 -59.7 -40.6 24.4 12.3 54.4 204 204 A E H 4 S+ 0 0 87 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.917 108.1 50.9 -64.9 -40.0 22.1 13.2 51.5 205 205 A V H < S+ 0 0 11 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 110.3 47.6 -63.2 -37.8 22.3 16.9 52.6 206 206 A L H < 0 0 55 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.633 360.0 360.0 -83.3 -11.5 26.1 16.8 52.8 207 207 A E < 0 0 199 -4,-1.1 -2,-0.1 -3,-0.4 -1,-0.1 0.385 360.0 360.0 100.1 360.0 25.8 15.2 49.4