==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-APR-06 2DJX . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR D.K.INAOKA,H.SHIMIZU,K.SAKAMOTO,T.SHIBA,G.KURISU,T.NARA, . 626 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.6 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 . 25 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 0 0 2 0 0 2 4 1 1 0 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 6 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 0 PARALLEL BRIDGES PER LADDER . 2 2 6 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 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 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 0 A M 0 0 126 0, 0.0 2,-0.3 0, 0.0 300,-0.1 0.000 360.0 360.0 360.0 128.8 33.2 33.7 94.3 2 1 A C - 0 0 87 298,-0.2 12,-0.1 2,-0.1 11,-0.0 -0.899 360.0-132.1-128.5 159.9 32.1 36.6 92.1 3 2 A L + 0 0 12 10,-0.4 9,-0.0 -2,-0.3 298,-0.0 0.195 54.3 140.3 -96.3 13.4 29.5 37.0 89.4 4 3 A K + 0 0 132 10,-0.1 2,-0.3 11,-0.0 9,-0.2 -0.286 23.9 172.3 -67.0 144.7 31.6 38.7 86.7 5 4 A L E -A 12 0A 19 7,-2.5 7,-2.9 9,-0.1 2,-0.4 -0.974 27.9-129.5-149.3 157.5 31.2 37.6 83.0 6 5 A N E +A 11 0A 107 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.963 32.7 156.8-115.5 130.2 32.2 38.5 79.5 7 6 A L E > +A 10 0A 19 3,-2.0 3,-1.5 -2,-0.4 -2,-0.0 -0.987 62.7 3.6-147.9 143.1 29.7 39.0 76.6 8 7 A L T 3 S- 0 0 43 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.799 127.8 -57.9 54.5 35.4 29.8 40.9 73.2 9 8 A D T 3 S+ 0 0 170 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.829 118.5 104.8 60.4 35.1 33.5 41.9 73.7 10 9 A H E < -A 7 0A 44 -3,-1.5 -3,-2.0 84,-0.0 2,-0.4 -0.957 66.1-127.9-135.5 158.0 32.6 43.7 77.0 11 10 A V E -A 6 0A 81 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.906 21.0-168.4-108.7 136.8 33.1 42.9 80.7 12 11 A F E -A 5 0A 1 -7,-2.9 -7,-2.5 -2,-0.4 28,-0.1 -0.980 22.5-145.3-126.7 135.8 30.2 42.9 83.3 13 12 A A S S- 0 0 71 26,-0.4 -10,-0.4 -2,-0.4 -1,-0.1 0.755 87.2 -11.7 -69.1 -27.5 30.5 42.7 87.1 14 13 A N S S- 0 0 7 2,-0.2 -1,-0.2 -9,-0.1 -9,-0.1 -0.944 74.8-101.5-162.7 168.5 27.3 40.7 87.3 15 14 A P S S+ 0 0 0 0, 0.0 254,-3.1 0, 0.0 2,-0.2 0.436 81.3 110.1 -82.1 3.8 24.3 39.8 84.9 16 15 A F E +b 269 0B 0 252,-0.2 23,-1.6 21,-0.2 24,-1.2 -0.539 32.5 147.6 -90.7 142.6 21.8 42.4 86.3 17 16 A M E -b 270 0B 0 252,-1.6 254,-1.7 -2,-0.2 24,-0.2 -0.962 46.9 -88.1-152.3 166.5 20.5 45.6 84.5 18 17 A N E -b 271 0B 0 22,-0.5 2,-0.3 -2,-0.3 254,-0.2 -0.478 42.5-113.3 -69.1 153.4 17.4 47.8 84.3 19 18 A A > - 0 0 6 252,-1.9 3,-2.0 -2,-0.1 23,-0.1 -0.669 49.3 -86.8 -78.3 141.5 14.7 47.0 81.8 20 19 A A T 3 S+ 0 0 21 -2,-0.3 24,-0.2 1,-0.2 23,-0.1 -0.252 115.1 27.2 -52.3 136.3 14.4 49.7 79.1 21 20 A G T 3 S+ 0 0 28 21,-0.2 2,-0.5 1,-0.2 3,-0.3 0.093 95.9 102.4 97.3 -22.0 12.1 52.5 80.2 22 21 A V S < S- 0 0 24 -3,-2.0 -1,-0.2 1,-0.2 249,-0.1 -0.862 100.3 -17.5-101.7 123.5 12.6 52.1 84.0 23 22 A L S S+ 0 0 41 -2,-0.5 10,-0.3 1,-0.1 -1,-0.2 0.892 115.1 93.3 53.3 50.8 14.9 54.7 85.8 24 23 A C + 0 0 0 -3,-0.3 20,-2.2 8,-0.1 -2,-0.1 0.230 46.5 92.6-159.9 24.4 16.5 55.8 82.5 25 24 A C S S+ 0 0 35 18,-0.2 50,-0.4 -4,-0.1 2,-0.2 0.828 82.2 42.3 -93.0 -39.2 14.8 58.9 80.9 26 25 A T S > S- 0 0 53 1,-0.1 4,-2.3 48,-0.1 5,-0.2 -0.625 86.0-108.4-109.0 165.0 16.8 61.9 82.3 27 26 A E H > S+ 0 0 89 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.925 123.3 54.3 -56.5 -42.3 20.5 62.6 82.9 28 27 A E H > S+ 0 0 157 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 107.5 48.7 -55.4 -48.1 19.7 62.3 86.6 29 28 A D H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 111.8 49.1 -57.1 -49.0 18.1 58.8 86.1 30 29 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.879 110.4 49.7 -64.5 -40.4 21.1 57.6 84.0 31 30 A R H X S+ 0 0 179 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.889 110.6 51.9 -61.9 -40.9 23.6 58.8 86.6 32 31 A C H X S+ 0 0 48 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.936 109.9 46.9 -63.3 -48.8 21.6 57.0 89.3 33 32 A M H < S+ 0 0 0 -4,-2.5 3,-0.4 -10,-0.3 5,-0.4 0.869 111.7 52.7 -59.3 -37.8 21.7 53.7 87.4 34 33 A T H < S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.898 108.2 50.4 -66.3 -38.4 25.4 54.2 86.8 35 34 A A H < S+ 0 0 81 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.647 97.6 90.2 -72.4 -16.7 26.0 54.7 90.6 36 35 A S S < S- 0 0 14 -4,-1.0 245,-0.1 -3,-0.4 -3,-0.0 -0.163 92.9-106.3 -72.8 172.0 24.0 51.5 91.5 37 36 A S S S+ 0 0 53 243,-0.4 -21,-0.2 -24,-0.0 -1,-0.1 0.257 75.6 129.4 -84.5 10.3 25.5 48.0 91.8 38 37 A S - 0 0 5 -5,-0.4 -21,-0.2 1,-0.1 -25,-0.1 -0.316 63.6-132.1 -63.4 148.4 24.0 46.9 88.5 39 38 A G S S- 0 0 3 -23,-1.6 -26,-0.4 -27,-0.1 2,-0.3 0.704 82.9 -10.8 -73.5 -23.0 26.3 45.2 85.9 40 39 A A - 0 0 0 -24,-1.2 -22,-0.5 53,-0.2 2,-0.3 -0.943 62.8-136.3-158.6 176.3 25.0 47.4 83.1 41 40 A L E -c 95 0B 0 53,-1.4 55,-2.3 -2,-0.3 2,-0.4 -0.981 4.9-154.0-141.2 156.3 22.3 50.0 82.1 42 41 A V E -c 96 0B 0 -2,-0.3 -21,-0.2 53,-0.2 55,-0.2 -0.989 21.1-125.0-127.2 139.2 20.0 50.7 79.1 43 42 A S - 0 0 3 53,-1.9 55,-0.4 -2,-0.4 -18,-0.2 -0.409 39.3 -82.5 -79.7 157.5 18.5 54.1 78.1 44 43 A K - 0 0 23 -20,-2.2 54,-0.1 -24,-0.2 -1,-0.1 -0.295 57.8 -93.5 -53.5 136.6 14.7 54.9 77.6 45 44 A S - 0 0 6 54,-0.1 54,-0.3 -3,-0.1 2,-0.2 -0.342 56.6-155.3 -55.4 129.2 13.5 53.9 74.1 46 45 A C B -d 99 0B 0 52,-1.4 54,-2.7 -3,-0.1 2,-0.3 -0.703 19.0-155.3-117.5 162.1 13.8 57.0 71.9 47 46 A T - 0 0 2 2,-0.3 30,-2.3 -2,-0.2 54,-0.1 -0.797 40.3 -99.4-124.3 166.4 12.4 58.7 68.8 48 47 A S S S+ 0 0 50 -2,-0.3 30,-0.5 28,-0.2 53,-0.0 0.859 109.3 36.8 -57.9 -39.0 13.9 61.3 66.4 49 48 A A S S- 0 0 57 27,-0.1 27,-0.3 28,-0.1 -2,-0.3 -0.823 100.7 -92.4-109.6 152.6 12.0 64.1 68.1 50 49 A P - 0 0 98 0, 0.0 2,-0.4 0, 0.0 25,-0.2 -0.283 43.5-155.6 -56.8 147.2 11.2 64.7 71.9 51 50 A R B -J 74 0C 71 23,-2.3 23,-1.6 1,-0.1 25,-0.1 -0.998 24.6-158.6-131.3 137.6 7.8 63.2 73.0 52 51 A D - 0 0 157 -2,-0.4 -1,-0.1 21,-0.2 20,-0.1 0.707 43.8-150.9 -75.9 -26.7 5.4 64.1 75.9 53 52 A G - 0 0 27 19,-0.2 18,-0.3 18,-0.2 -1,-0.2 -0.316 34.6 -23.6 83.2-168.9 3.7 60.7 75.7 54 53 A N S S- 0 0 18 16,-2.6 4,-0.1 15,-0.2 2,-0.0 -0.254 77.7 -84.8 -77.0 161.0 0.2 59.6 76.6 55 54 A P - 0 0 67 0, 0.0 158,-0.3 0, 0.0 -1,-0.1 -0.363 63.1 -68.2 -67.9 151.3 -2.1 61.4 79.1 56 55 A E S S+ 0 0 120 157,-0.1 2,-0.1 156,-0.1 156,-0.1 -0.505 107.2 51.1 -84.1 152.0 -2.0 60.8 82.9 57 56 A P + 0 0 50 0, 0.0 156,-2.7 0, 0.0 3,-0.1 0.449 69.5 144.8 -73.0 137.8 -2.6 58.6 84.9 58 57 A R + 0 0 39 1,-0.2 11,-2.5 154,-0.2 2,-0.3 0.440 54.7 48.1-127.6 -2.5 -0.5 56.2 82.7 59 58 A Y E +K 68 0D 58 9,-0.2 2,-0.3 152,-0.1 -1,-0.2 -0.994 56.0 173.3-138.8 136.3 1.2 53.8 85.2 60 59 A M E -K 67 0D 71 7,-2.2 7,-2.2 -2,-0.3 2,-0.3 -0.994 14.4-152.0-143.6 135.0 -0.3 51.8 88.2 61 60 A A E +K 66 0D 34 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.830 15.3 173.6-109.4 149.4 1.3 49.2 90.5 62 61 A F E > -K 65 0D 67 3,-2.9 3,-1.4 -2,-0.3 -2,-0.0 -0.847 49.5 -89.1-143.4 166.4 -0.4 46.3 92.4 63 62 A P T 3 S+ 0 0 120 0, 0.0 161,-0.2 0, 0.0 3,-0.1 0.887 127.2 41.8 -51.0 -40.1 0.6 43.3 94.6 64 63 A L T 3 S- 0 0 43 1,-0.2 161,-1.8 159,-0.1 2,-0.3 0.416 126.8 -77.7 -91.2 1.8 0.9 41.0 91.4 65 64 A G E < -K 62 0D 0 -3,-1.4 -3,-2.9 158,-0.2 2,-0.3 -0.980 55.4 -56.8 144.0-150.7 2.6 43.6 89.1 66 65 A S E -KL 61 222D 6 156,-2.0 156,-2.0 -2,-0.3 2,-0.4 -0.885 19.0-153.9-135.8 157.7 1.9 46.7 87.0 67 66 A I E +KL 60 221D 1 -7,-2.2 -7,-2.2 -2,-0.3 2,-0.3 -0.988 25.8 170.9-125.2 139.3 -0.1 48.1 84.0 68 67 A N E +KL 59 220D 26 152,-1.5 152,-2.3 -2,-0.4 -9,-0.2 -1.000 32.6 179.7-147.2 150.6 1.1 51.0 81.8 69 68 A S + 0 0 0 -11,-2.5 -15,-0.2 -2,-0.3 -10,-0.1 -0.515 25.8 158.3-138.4 69.5 0.4 53.0 78.6 70 69 A M - 0 0 53 -17,-0.1 -16,-2.6 1,-0.1 -11,-0.1 0.881 38.8-142.3 -64.5 -41.4 3.3 55.4 78.7 71 70 A G - 0 0 1 -18,-0.3 -18,-0.2 1,-0.1 -1,-0.1 0.778 56.3 -68.6 81.9 32.8 3.3 56.3 74.9 72 71 A L - 0 0 7 1,-0.2 2,-0.3 -19,-0.1 -19,-0.2 0.874 65.5-173.3 54.2 48.8 7.1 56.6 74.5 73 72 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.549 23.1 148.4 -68.4 129.8 7.8 59.8 76.5 74 73 A N B -J 51 0C 10 -23,-1.6 -23,-2.3 -2,-0.3 3,-0.1 -0.988 60.3-115.1-161.5 160.4 11.4 60.6 75.9 75 74 A L S S- 0 0 86 -50,-0.4 4,-0.3 -2,-0.3 3,-0.1 0.478 71.4 -99.0 -78.5 -3.3 14.0 63.5 75.6 76 75 A G >> - 0 0 2 -27,-0.3 4,-1.4 2,-0.1 3,-0.9 0.121 31.6 -83.9 95.4 147.7 14.7 62.7 71.9 77 76 A F H 3> S+ 0 0 1 -30,-2.3 4,-2.8 1,-0.2 5,-0.3 0.841 122.7 64.5 -51.6 -40.7 17.5 60.8 70.1 78 77 A D H 3> S+ 0 0 83 -30,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.906 104.5 47.1 -53.5 -42.8 19.8 63.9 70.1 79 78 A F H <> S+ 0 0 45 -3,-0.9 4,-2.3 -4,-0.3 -1,-0.2 0.932 112.9 45.5 -63.9 -49.9 19.9 63.7 74.0 80 79 A Y H X S+ 0 0 3 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.887 112.0 52.9 -66.6 -34.8 20.6 60.0 74.3 81 80 A L H X S+ 0 0 21 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.922 110.4 48.2 -60.9 -45.4 23.3 60.1 71.6 82 81 A K H X>S+ 0 0 108 -4,-1.9 4,-2.8 -5,-0.3 5,-0.9 0.882 108.8 53.4 -63.3 -41.8 25.1 63.0 73.5 83 82 A Y H X>S+ 0 0 11 -4,-2.3 5,-2.5 3,-0.2 4,-1.3 0.961 113.7 43.5 -56.3 -49.8 24.8 61.0 76.7 84 83 A A H <5S+ 0 0 0 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.873 121.5 38.5 -63.3 -40.2 26.5 58.0 75.0 85 84 A S H <5S+ 0 0 24 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.868 134.1 12.1 -82.0 -37.2 29.2 60.1 73.2 86 85 A D H <5S+ 0 0 115 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.670 126.2 37.4-116.1 -27.2 30.1 62.8 75.8 87 86 A L T <> - 0 0 91 1,-0.1 3,-1.8 -2,-0.1 4,-0.8 -0.774 18.4-172.8 -90.4 95.2 31.7 56.9 82.2 90 89 A Y T 34 S+ 0 0 61 -2,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.584 77.3 72.7 -69.5 -9.3 32.5 53.6 80.4 91 90 A S T 34 S+ 0 0 105 1,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.680 97.4 50.6 -75.8 -17.8 35.0 52.7 83.2 92 91 A K T <4 S- 0 0 100 -3,-1.8 -2,-0.2 1,-0.3 -1,-0.1 0.940 126.6 -38.8 -83.0 -51.2 32.1 52.0 85.5 93 92 A K < - 0 0 10 -4,-0.8 -1,-0.3 -81,-0.1 -53,-0.2 -0.968 67.6 -78.9-169.9 157.9 29.9 49.7 83.4 94 93 A P - 0 0 11 0, 0.0 -53,-1.4 0, 0.0 2,-0.4 -0.351 39.5-140.5 -67.9 152.4 28.7 49.1 79.8 95 94 A L E -c 41 0B 3 -55,-0.2 29,-2.2 27,-0.1 2,-0.4 -0.941 10.5-165.0-115.5 133.8 25.8 51.1 78.2 96 95 A F E -ce 42 124B 0 -55,-2.3 -53,-1.9 -2,-0.4 2,-0.5 -0.922 10.4-152.5-106.6 142.5 23.0 50.0 75.9 97 96 A L E - e 0 125B 2 27,-2.4 29,-2.3 -2,-0.4 2,-0.4 -0.979 9.6-151.5-116.2 123.3 21.0 52.6 73.9 98 97 A S E - e 0 126B 0 -2,-0.5 -52,-1.4 -55,-0.4 2,-0.4 -0.810 10.6-169.8 -96.6 133.6 17.4 51.6 73.0 99 98 A I E +de 46 127B 0 27,-1.7 29,-2.7 -2,-0.4 -52,-0.2 -0.943 11.6 177.8-118.8 144.3 15.6 53.0 69.9 100 99 A S - 0 0 7 -54,-2.7 27,-0.1 -2,-0.4 29,-0.1 -0.475 12.0-176.0-143.2 68.3 11.9 52.7 69.0 101 100 A G - 0 0 9 1,-0.1 -54,-0.1 -54,-0.1 -2,-0.0 -0.227 30.7-130.6 -60.4 154.8 11.1 54.6 65.7 102 101 A L S S+ 0 0 45 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.390 90.1 20.9 -87.5 0.4 7.4 54.8 64.5 103 102 A S S > S- 0 0 38 1,-0.1 4,-1.8 47,-0.0 5,-0.2 -0.964 84.9-104.8-155.0 166.8 8.5 53.7 61.0 104 103 A V H > S+ 0 0 21 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.919 120.2 55.0 -62.4 -41.5 11.3 51.9 59.3 105 104 A E H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 105.5 52.1 -59.6 -41.1 12.6 55.3 57.9 106 105 A E H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 110.4 47.5 -63.1 -47.2 12.8 56.8 61.4 107 106 A N H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.902 111.3 51.5 -57.9 -43.8 14.9 53.8 62.8 108 107 A V H X S+ 0 0 14 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.916 106.7 53.9 -62.2 -43.5 17.2 54.0 59.8 109 108 A A H X S+ 0 0 49 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.927 112.1 44.8 -55.5 -47.9 17.7 57.8 60.3 110 109 A M H >X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 3,-0.7 0.934 110.6 51.4 -63.8 -47.2 18.8 57.1 64.0 111 110 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.843 101.5 61.8 -66.5 -30.0 21.1 54.2 63.3 112 111 A R H 3< S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.4 38.5 -59.3 -36.1 23.1 56.1 60.6 113 112 A R H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 3,-0.7 0.879 91.0 76.4 -68.0 -37.6 24.6 56.1 66.1 115 114 A A H 3X S+ 0 0 11 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.849 92.6 47.2 -45.1 -55.0 27.1 54.1 64.0 116 115 A P H 3> S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.868 114.6 47.7 -58.9 -34.8 30.2 56.4 64.5 117 116 A V H S+ 0 0 20 -3,-0.7 4,-2.9 -4,-0.6 5,-0.6 0.881 110.9 51.1 -72.9 -39.3 29.6 56.7 68.3 118 117 A A H X5S+ 0 0 14 -4,-2.7 4,-1.7 3,-0.2 -1,-0.2 0.930 111.5 49.4 -58.1 -45.6 29.2 52.9 68.5 119 118 A Q H <5S+ 0 0 138 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.919 120.0 35.8 -57.4 -47.4 32.6 52.6 66.6 120 119 A E H <5S+ 0 0 151 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.877 132.2 22.4 -77.3 -40.2 34.3 55.1 68.9 121 120 A K H <5S- 0 0 87 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.658 91.6-122.7-109.4 -22.9 32.8 54.3 72.3 122 121 A G << + 0 0 24 -4,-1.7 -4,-0.2 -5,-0.6 -27,-0.1 0.606 47.1 163.2 85.0 13.0 31.4 50.8 72.2 123 122 A V - 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M 0 200D 0 -19,-2.2 -19,-2.5 -2,-0.3 -150,-0.2 -0.960 47.2 -77.0-156.1 167.9 -2.1 48.7 78.8 220 219 A G E -L 68 0D 0 -152,-2.3 -152,-1.5 -2,-0.3 2,-0.4 -0.501 42.7-136.6 -76.6 138.6 1.0 46.4 79.0 221 220 A L E +LM 67 197D 2 -24,-2.4 -24,-2.2 -2,-0.2 2,-0.3 -0.770 27.3 165.2 -99.4 138.1 1.4 44.0 81.9 222 221 A G E +L 66 0D 8 -156,-2.0 -156,-2.0 -2,-0.4 3,-0.5 -0.870 34.9 39.9-136.9 171.4 4.5 43.4 83.9 223 222 A G S > S- 0 0 3 -158,-0.3 3,-1.9 -2,-0.3 4,-0.4 -0.584 109.2 -6.4 95.5-151.4 5.6 41.8 87.3 224 223 A K G > S+ 0 0 78 1,-0.3 3,-0.8 -2,-0.2 -1,-0.2 0.806 124.2 67.2 -53.8 -33.7 4.4 38.6 89.0 225 224 A Y G 3 S+ 0 0 35 -161,-1.8 -1,-0.3 -3,-0.5 4,-0.2 0.773 105.5 39.7 -53.7 -31.9 1.6 38.1 86.4 226 225 A I G <> S+ 0 0 8 -3,-1.9 4,-2.6 1,-0.1 -1,-0.2 0.362 76.7 104.4-112.1 2.5 4.1 37.4 83.6 227 226 A L H <> S+ 0 0 27 -3,-0.8 4,-2.8 -4,-0.4 5,-0.3 0.934 85.7 46.2 -58.5 -51.8 7.0 35.2 84.9 228 227 A P H > S+ 0 0 5 0, 0.0 4,-1.8 0, 0.0 287,-1.4 0.872 114.4 49.6 -57.1 -35.8 5.9 31.8 83.3 229 228 A T H > S+ 0 0 9 285,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.918 112.2 47.9 -65.5 -43.7 5.3 33.6 80.0 230 229 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.940 111.0 49.6 -64.5 -47.7 8.7 35.3 80.2 231 230 A L H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.883 109.7 53.1 -57.7 -40.2 10.5 32.0 81.0 232 231 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.926 111.0 45.3 -60.7 -46.5 8.8 30.2 78.1 233 232 A N H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.921 111.7 51.8 -67.2 -45.2 9.9 32.9 75.6 234 233 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.953 115.1 43.0 -52.8 -51.0 13.5 32.9 77.0 235 234 A N H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.905 111.0 54.5 -65.6 -40.9 13.7 29.1 76.6 236 235 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.901 115.3 38.7 -59.1 -46.0 12.0 28.9 73.2 237 236 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.799 111.9 57.5 -77.3 -30.3 14.5 31.4 71.6 238 237 A Y H < S+ 0 0 68 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.927 112.4 42.9 -61.1 -44.1 17.5 29.9 73.5 239 238 A R H < S+ 0 0 98 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.891 120.2 40.9 -65.7 -44.0 16.6 26.5 71.9 240 239 A R H < S+ 0 0 59 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.641 115.9 47.4 -86.7 -17.3 15.9 28.0 68.4 241 240 A C >< + 0 0 1 -4,-1.9 3,-2.0 1,-0.1 -1,-0.2 -0.558 62.2 161.0-119.3 65.3 18.8 30.5 68.2 242 241 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.721 74.2 53.0 -64.5 -18.8 21.8 28.5 69.3 243 242 A D T 3 S+ 0 0 160 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.282 104.1 65.2 -98.2 9.9 24.3 30.9 67.8 244 243 A K S < S- 0 0 28 -3,-2.0 2,-0.3 -6,-0.1 -54,-0.2 -0.791 81.9-111.7-119.5 165.8 22.9 34.1 69.5 245 244 A L E -h 190 0B 47 -56,-2.3 -54,-1.9 -2,-0.3 2,-0.4 -0.721 23.7-148.3 -89.5 148.8 22.7 35.3 73.1 246 245 A V E -h 191 0B 2 19,-0.5 21,-3.0 -2,-0.3 2,-0.4 -0.986 4.4-158.0-118.4 130.3 19.3 35.6 74.9 247 246 A F E -h 192 0B 0 -56,-2.4 -54,-2.4 -2,-0.4 2,-0.3 -0.924 18.0-136.0-103.1 131.6 18.7 38.3 77.6 248 247 A G E +hi 193 269B 0 20,-2.6 22,-3.1 -2,-0.4 2,-0.3 -0.703 28.3 167.3 -93.3 141.6 15.8 37.6 80.0 249 248 A C E + i 0 270B 11 -56,-2.1 22,-0.1 -2,-0.3 -15,-0.1 -0.955 31.1 74.3-150.2 128.7 13.2 40.2 81.1 250 249 A G S S+ 0 0 9 20,-0.7 -19,-0.1 -2,-0.3 -1,-0.1 0.155 88.2 7.5 134.3 116.4 9.9 39.7 83.0 251 250 A G S S+ 0 0 8 1,-0.2 2,-0.6 -21,-0.1 -24,-0.1 0.660 71.3 154.3 73.9 19.4 8.7 39.0 86.5 252 251 A V + 0 0 6 18,-0.3 22,-0.4 1,-0.2 -1,-0.2 -0.730 8.8 138.2 -85.5 116.8 12.1 39.2 88.3 253 252 A Y + 0 0 39 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.486 65.9 30.2-122.1 -20.3 11.8 40.2 92.0 254 253 A S S > S- 0 0 25 1,-0.1 4,-2.1 35,-0.0 -1,-0.2 -0.892 80.5-104.5-140.5 164.8 14.4 37.8 93.6 255 254 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.853 121.6 57.0 -56.9 -35.5 17.7 36.0 93.2 256 255 A E H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 104.9 49.5 -62.1 -43.2 15.6 32.8 92.8 257 256 A D H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.904 111.9 49.3 -63.7 -40.9 13.6 34.4 89.9 258 257 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.901 107.2 55.3 -62.6 -42.4 17.0 35.3 88.2 259 258 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.910 107.5 49.9 -55.2 -44.6 18.2 31.7 88.8 260 259 A L H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.905 109.4 50.7 -62.8 -43.9 15.2 30.4 86.8 261 260 A H H X>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.7 0.914 113.0 46.0 -57.8 -45.1 15.8 32.9 83.9 262 261 A I H ><5S+ 0 0 0 -4,-2.4 45,-2.2 3,-0.2 3,-1.0 0.920 110.0 53.1 -68.4 -42.4 19.5 31.8 83.7 263 262 A L H 3<5S+ 0 0 0 -4,-2.7 46,-1.8 43,-0.3 -1,-0.2 0.859 107.8 52.8 -57.0 -35.8 18.5 28.1 83.9 264 263 A A H 3<5S- 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.668 137.0 -83.3 -73.7 -17.5 16.1 28.7 81.0 265 264 A G T <<5S+ 0 0 1 -3,-1.0 -19,-0.5 -4,-0.7 -3,-0.2 0.350 74.2 151.5 133.3 -2.1 19.0 30.3 78.9 266 265 A A < - 0 0 0 -5,-2.5 -19,-0.2 -6,-0.1 -1,-0.2 -0.334 22.3-177.6 -68.0 136.2 19.4 34.0 79.9 267 266 A S S S+ 0 0 6 -21,-3.0 2,-0.3 1,-0.3 -20,-0.2 0.890 80.1 22.5 -88.2 -62.8 22.9 35.6 79.7 268 267 A M S S- 0 0 0 -22,-0.3 -20,-2.6 -6,-0.0 2,-0.4 -0.756 76.9-145.5 -98.1 156.8 21.9 39.1 81.1 269 268 A V E -bi 16 248B 0 -254,-3.1 -252,-1.6 -2,-0.3 2,-0.3 -0.986 11.3-155.8-127.5 118.6 18.8 39.5 83.4 270 269 A Q E -bi 17 249B 1 -22,-3.1 -20,-0.7 -2,-0.4 2,-0.4 -0.709 0.9-153.1-100.0 148.9 16.7 42.8 83.2 271 270 A V E +b 18 0B 1 -254,-1.7 -252,-1.9 -2,-0.3 -249,-0.1 -0.977 26.4 150.7-128.7 117.4 14.5 44.2 86.0 272 271 A G >> + 0 0 16 -2,-0.4 4,-2.3 -254,-0.2 3,-0.6 0.699 68.6 25.3-108.3 -92.9 11.4 46.4 85.4 273 272 A T H 3> S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.853 122.6 51.9 -46.3 -48.3 8.4 46.5 87.7 274 273 A A H 3> S+ 0 0 4 -22,-0.4 4,-2.8 1,-0.2 5,-0.3 0.875 111.4 47.6 -61.7 -38.2 10.3 45.4 90.8 275 274 A L H <> S+ 0 0 3 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.890 109.2 53.7 -66.8 -43.0 13.0 48.2 90.2 276 275 A Q H < S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.888 117.8 37.2 -57.5 -39.4 10.2 50.8 89.7 277 276 A E H < S+ 0 0 110 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.916 127.7 30.3 -83.0 -44.2 8.7 49.9 93.0 278 277 A E H < S- 0 0 97 -4,-2.8 3,-0.3 -5,-0.2 -3,-0.2 0.742 98.9-134.8 -88.4 -26.5 11.7 49.2 95.2 279 278 A G >< - 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