==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-DEC-06 2E68 . 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,T.AO . 625 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 7.4 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 . 26 4.2 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 . 188 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 0 2 0 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 1 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 0 A M 0 0 120 0, 0.0 2,-0.3 0, 0.0 300,-0.1 0.000 360.0 360.0 360.0 134.7 32.4 33.1 92.7 2 1 A a - 0 0 86 298,-0.3 12,-0.1 2,-0.1 11,-0.0 -0.877 360.0-132.5-130.1 164.4 31.3 35.9 90.4 3 2 A L + 0 0 9 10,-0.4 9,-0.0 -2,-0.3 298,-0.0 0.198 54.0 142.3-100.6 12.3 28.7 36.3 87.6 4 3 A K + 0 0 128 10,-0.1 2,-0.3 11,-0.1 9,-0.2 -0.254 22.9 170.4 -62.8 139.7 31.0 38.0 85.0 5 4 A L E -A 12 0A 19 7,-3.1 7,-3.6 9,-0.1 2,-0.4 -0.966 29.2-130.5-148.3 161.5 30.5 37.0 81.4 6 5 A N E +A 11 0A 106 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.969 33.5 153.4-118.6 133.3 31.6 37.9 77.8 7 6 A L E > +A 10 0A 20 3,-2.4 3,-2.2 -2,-0.4 -2,-0.0 -0.979 62.3 7.2-154.5 144.5 29.1 38.4 74.9 8 7 A L T 3 S- 0 0 35 -2,-0.3 3,-0.1 1,-0.3 182,-0.0 0.809 128.3 -58.9 54.0 35.1 29.1 40.4 71.6 9 8 A D T 3 S+ 0 0 171 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.744 118.3 106.2 61.6 26.6 32.7 41.4 72.1 10 9 A H E < -A 7 0A 40 -3,-2.2 -3,-2.4 84,-0.0 2,-0.4 -0.943 66.4-129.3-128.7 155.8 31.9 43.0 75.4 11 10 A V E -A 6 0A 76 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.878 21.5-165.5-104.8 135.4 32.5 42.1 79.0 12 11 A F E -A 5 0A 1 -7,-3.6 -7,-3.1 -2,-0.4 28,-0.1 -0.982 21.5-146.0-123.3 134.6 29.7 42.1 81.5 13 12 A A S S- 0 0 64 -2,-0.4 -10,-0.4 26,-0.4 -1,-0.1 0.765 86.9 -13.7 -64.6 -29.9 30.0 42.0 85.3 14 13 A N S S- 0 0 9 2,-0.2 -1,-0.2 -10,-0.1 -9,-0.1 -0.951 74.4-100.3-164.4 167.1 26.8 40.0 85.5 15 14 A P S S+ 0 0 0 0, 0.0 254,-3.2 0, 0.0 2,-0.3 0.436 82.1 109.3 -80.5 4.6 23.9 39.1 83.2 16 15 A F E +b 269 0B 0 252,-0.2 23,-1.9 21,-0.2 24,-1.3 -0.580 33.0 148.2 -92.2 141.8 21.4 41.7 84.6 17 16 A M E -bc 270 40B 0 252,-1.8 254,-1.8 -2,-0.3 24,-0.2 -0.965 47.5 -88.2-151.4 166.4 20.2 44.8 82.9 18 17 A N E -b 271 0B 0 22,-0.5 2,-0.3 -2,-0.3 254,-0.2 -0.453 42.9-113.4 -68.5 152.6 17.1 47.0 82.8 19 18 A A > - 0 0 5 252,-2.2 3,-2.0 251,-0.1 23,-0.1 -0.686 48.6 -88.3 -77.0 143.8 14.3 46.2 80.3 20 19 A A T 3 S+ 0 0 18 -2,-0.3 24,-0.2 1,-0.2 -1,-0.1 -0.236 114.9 28.6 -54.9 140.1 14.0 48.9 77.6 21 20 A G T 3 S+ 0 0 26 21,-0.2 2,-0.5 1,-0.2 3,-0.3 0.082 96.9 101.3 96.9 -23.3 11.7 51.6 78.7 22 21 A V S < S- 0 0 23 -3,-2.0 20,-0.2 1,-0.2 -1,-0.2 -0.869 100.6 -18.2-102.4 124.1 12.3 51.2 82.5 23 22 A L S S+ 0 0 38 -2,-0.5 10,-0.3 1,-0.1 -1,-0.2 0.894 116.2 91.0 53.1 51.5 14.6 53.7 84.2 24 23 A C + 0 0 0 -3,-0.3 20,-2.3 8,-0.1 -2,-0.1 0.236 46.9 94.5-161.8 23.8 16.2 54.9 81.0 25 24 A S S S+ 0 0 32 18,-0.2 50,-0.4 -4,-0.1 2,-0.2 0.811 83.5 39.6 -94.1 -34.9 14.4 57.9 79.4 26 25 A T S > S- 0 0 50 1,-0.1 4,-2.4 48,-0.1 5,-0.2 -0.674 86.3-107.9-113.0 167.3 16.4 60.8 80.7 27 26 A E H > S+ 0 0 88 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 122.8 54.9 -58.1 -43.9 20.1 61.5 81.3 28 27 A E H > S+ 0 0 154 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 108.4 47.8 -51.8 -50.5 19.3 61.3 85.0 29 28 A D H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.915 112.7 48.1 -57.5 -48.5 17.8 57.8 84.5 30 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.878 110.9 50.3 -64.8 -37.5 20.7 56.6 82.4 31 30 A R H X S+ 0 0 176 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.869 110.8 51.3 -64.2 -38.1 23.2 57.9 85.0 32 31 A C H X S+ 0 0 46 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.943 110.4 46.6 -65.8 -49.9 21.3 56.1 87.7 33 32 A M H < S+ 0 0 0 -4,-2.7 5,-0.3 -10,-0.3 3,-0.3 0.877 112.0 52.3 -58.0 -38.4 21.3 52.8 85.7 34 33 A T H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 109.2 49.3 -66.4 -37.2 25.0 53.3 85.1 35 34 A A H < S+ 0 0 88 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.666 98.5 90.7 -74.3 -18.8 25.6 53.8 88.8 36 35 A S S < S- 0 0 20 -4,-1.2 245,-0.1 -3,-0.3 -3,-0.0 -0.122 92.6-107.2 -69.6 173.9 23.6 50.6 89.7 37 36 A S S S+ 0 0 55 243,-0.4 -21,-0.2 -24,-0.0 -1,-0.1 0.375 75.4 129.0 -84.9 4.5 25.1 47.1 90.0 38 37 A S - 0 0 4 -5,-0.3 -21,-0.2 1,-0.1 -25,-0.1 -0.234 64.0-131.8 -59.6 150.8 23.5 46.0 86.7 39 38 A G S S- 0 0 1 -23,-1.9 -26,-0.4 -27,-0.1 2,-0.3 0.702 83.7 -10.0 -74.7 -23.4 25.8 44.4 84.2 40 39 A A B -c 17 0B 0 -24,-1.3 -22,-0.5 53,-0.2 2,-0.3 -0.934 63.1-138.3-156.7 178.6 24.5 46.6 81.4 41 40 A L E -d 95 0B 0 53,-1.4 55,-2.4 -2,-0.3 2,-0.4 -0.984 4.8-154.2-144.4 157.5 21.8 49.1 80.5 42 41 A V E -d 96 0B 0 -2,-0.3 -21,-0.2 53,-0.2 55,-0.2 -0.986 20.9-125.1-130.0 140.1 19.6 49.9 77.6 43 42 A S - 0 0 2 53,-2.0 55,-0.4 -2,-0.4 -18,-0.2 -0.416 40.3 -80.3 -81.6 160.3 18.1 53.2 76.7 44 43 A K - 0 0 19 -20,-2.3 -1,-0.1 -24,-0.2 54,-0.1 -0.303 57.1 -94.5 -54.1 136.5 14.3 54.0 76.1 45 44 A S - 0 0 5 54,-0.1 54,-0.3 -3,-0.1 2,-0.2 -0.353 57.2-157.9 -55.7 126.8 13.0 53.0 72.7 46 45 A C B -e 99 0B 0 52,-1.4 54,-2.9 -3,-0.1 2,-0.3 -0.691 19.1-151.7-117.5 164.9 13.3 56.1 70.6 47 46 A T - 0 0 2 2,-0.3 30,-2.5 -2,-0.2 54,-0.1 -0.783 40.1 -98.8-124.9 166.8 11.9 57.8 67.5 48 47 A S S S+ 0 0 42 -2,-0.3 30,-0.5 28,-0.2 53,-0.0 0.865 110.1 35.1 -58.4 -38.8 13.4 60.3 65.1 49 48 A A S S- 0 0 57 27,-0.1 27,-0.3 28,-0.1 -2,-0.3 -0.820 101.5 -90.9-112.1 154.0 11.6 63.2 66.9 50 49 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 25,-0.2 -0.286 43.5-155.7 -58.0 148.9 10.8 63.6 70.6 51 50 A R B -K 74 0C 68 23,-2.4 23,-1.7 21,-0.1 25,-0.1 -0.998 24.5-156.5-131.9 137.8 7.4 62.3 71.7 52 51 A D - 0 0 153 -2,-0.4 -1,-0.1 21,-0.2 2,-0.1 0.728 44.2-149.7 -74.7 -25.0 5.1 63.1 74.6 53 52 A G - 0 0 25 19,-0.2 18,-0.3 18,-0.2 -1,-0.2 -0.343 35.7 -26.7 81.7-168.7 3.5 59.7 74.4 54 53 A N S S- 0 0 17 16,-2.8 4,-0.1 15,-0.2 15,-0.0 -0.289 79.1 -80.3 -78.5 162.3 -0.1 58.6 75.2 55 54 A P - 0 0 66 0, 0.0 158,-0.3 0, 0.0 -1,-0.1 -0.326 64.2 -75.9 -64.6 146.7 -2.3 60.4 77.8 56 55 A E S S+ 0 0 137 157,-0.1 2,-0.1 156,-0.1 156,-0.1 -0.550 106.4 56.5 -85.4 151.0 -1.9 59.8 81.5 57 56 A P + 0 0 54 0, 0.0 156,-3.1 0, 0.0 3,-0.1 0.455 69.3 141.9 -72.7 140.4 -2.6 57.6 83.5 58 57 A R + 0 0 39 1,-0.3 11,-2.8 154,-0.2 2,-0.4 0.379 55.1 50.2-133.5 -0.5 -0.6 55.2 81.3 59 58 A Y E +L 68 0D 56 9,-0.2 2,-0.3 152,-0.1 -1,-0.3 -0.988 56.2 170.2-140.2 132.0 1.2 52.9 83.7 60 59 A M E -L 67 0D 71 7,-2.3 7,-2.3 -2,-0.4 2,-0.3 -0.991 14.1-156.0-141.9 136.9 -0.3 51.0 86.7 61 60 A A E +L 66 0D 33 -2,-0.3 5,-0.2 5,-0.2 162,-0.0 -0.850 13.0 174.2-115.4 151.3 1.2 48.3 88.9 62 61 A F E > -L 65 0D 68 3,-3.1 3,-1.4 -2,-0.3 -2,-0.0 -0.848 50.8 -85.0-144.2 169.4 -0.4 45.5 90.9 63 62 A P T 3 S+ 0 0 114 0, 0.0 161,-0.2 0, 0.0 3,-0.1 0.852 127.9 41.8 -52.4 -36.0 0.7 42.5 93.0 64 63 A L T 3 S- 0 0 41 1,-0.2 161,-1.7 159,-0.1 2,-0.3 0.475 126.1 -74.1 -94.8 -1.6 0.8 40.3 89.9 65 64 A G E < -L 62 0D 1 -3,-1.4 -3,-3.1 158,-0.2 2,-0.3 -0.996 54.7 -62.2 150.3-152.2 2.4 42.8 87.5 66 65 A S E -LM 61 222D 4 156,-2.1 156,-2.2 -2,-0.3 2,-0.4 -0.903 18.1-152.4-136.0 158.8 1.9 45.9 85.4 67 66 A I E +LM 60 221D 0 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.3 -0.989 24.8 175.5-126.7 139.7 -0.1 47.3 82.5 68 67 A N E +LM 59 220D 34 152,-1.6 152,-2.4 -2,-0.4 -9,-0.2 -0.998 31.2 174.9-147.1 143.2 1.2 50.1 80.4 69 68 A S + 0 0 0 -11,-2.8 -15,-0.2 -2,-0.3 -10,-0.1 -0.492 26.0 154.7-134.8 65.8 0.3 52.1 77.3 70 69 A M - 0 0 52 -17,-0.1 -16,-2.8 1,-0.1 -1,-0.1 0.902 41.1-143.7 -61.3 -44.3 3.2 54.6 77.4 71 70 A G - 0 0 1 -18,-0.3 -18,-0.2 1,-0.1 -1,-0.1 0.799 56.7 -67.2 82.7 33.2 3.1 55.3 73.7 72 71 A L - 0 0 7 1,-0.2 2,-0.3 -19,-0.1 -19,-0.2 0.869 65.8-173.9 54.9 48.0 6.9 55.7 73.2 73 72 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.558 24.4 149.6 -67.0 127.9 7.4 58.9 75.2 74 73 A N B -K 51 0C 9 -23,-1.7 -23,-2.4 -2,-0.3 3,-0.1 -0.990 60.3-115.4-160.1 160.3 11.1 59.7 74.5 75 74 A L S S- 0 0 85 -50,-0.4 4,-0.3 -2,-0.3 3,-0.1 0.449 71.4 -96.9 -79.9 -0.7 13.5 62.6 74.2 76 75 A G >> - 0 0 2 -27,-0.3 4,-1.4 1,-0.1 3,-1.0 0.154 32.8 -84.6 95.6 146.8 14.2 61.8 70.6 77 76 A F H 3> S+ 0 0 0 -30,-2.5 4,-2.9 1,-0.3 5,-0.3 0.832 122.2 65.7 -52.5 -38.7 17.0 59.9 68.8 78 77 A D H 3> S+ 0 0 86 -30,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.905 104.2 46.6 -53.5 -42.8 19.3 62.9 68.8 79 78 A F H <> S+ 0 0 36 -3,-1.0 4,-2.5 -4,-0.3 -1,-0.2 0.934 113.1 45.6 -65.5 -48.7 19.4 62.7 72.6 80 79 A Y H X S+ 0 0 2 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.889 112.9 51.5 -67.2 -35.6 20.0 59.0 72.9 81 80 A L H X S+ 0 0 22 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.915 110.4 49.0 -62.5 -43.7 22.7 59.1 70.2 82 81 A K H X>S+ 0 0 102 -4,-2.0 4,-3.1 -5,-0.3 5,-1.0 0.889 108.9 53.0 -62.2 -41.6 24.4 62.0 72.1 83 82 A Y H X>S+ 0 0 7 -4,-2.5 5,-2.8 3,-0.2 4,-1.1 0.957 113.7 43.4 -57.4 -49.1 24.2 60.0 75.3 84 83 A A H <5S+ 0 0 0 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.877 121.6 38.8 -62.7 -40.2 25.9 57.0 73.5 85 84 A S H <5S+ 0 0 23 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.859 134.7 10.0 -82.8 -37.3 28.5 59.2 71.7 86 85 A D H <5S+ 0 0 114 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.699 126.4 38.2-116.5 -29.1 29.5 61.8 74.4 87 86 A L T <> - 0 0 73 1,-0.2 3,-1.7 -2,-0.1 4,-1.0 -0.781 18.0-173.8 -90.7 97.3 31.0 55.9 80.6 90 89 A Y T 34 S+ 0 0 56 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.659 78.2 71.4 -68.4 -15.2 31.8 52.7 78.8 91 90 A S T 34 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.731 98.3 51.2 -70.0 -21.4 34.4 51.8 81.5 92 91 A K T <4 S- 0 0 137 -3,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.946 127.6 -41.1 -80.3 -50.7 31.4 51.2 83.9 93 92 A K < - 0 0 14 -4,-1.0 -1,-0.3 -81,-0.1 -53,-0.2 -0.968 66.9 -77.7-171.3 158.0 29.3 48.8 81.7 94 93 A P - 0 0 10 0, 0.0 -53,-1.4 0, 0.0 2,-0.4 -0.330 40.5-140.7 -65.5 152.2 28.1 48.2 78.1 95 94 A L E -d 41 0B 1 -55,-0.2 29,-2.3 27,-0.1 2,-0.4 -0.949 10.2-163.9-116.8 133.3 25.3 50.3 76.6 96 95 A F E -df 42 124B 0 -55,-2.4 -53,-2.0 -2,-0.4 2,-0.5 -0.917 10.2-152.0-107.0 141.5 22.5 49.1 74.3 97 96 A L E - f 0 125B 1 27,-2.7 29,-2.5 -2,-0.4 2,-0.4 -0.975 10.0-153.3-116.0 120.8 20.4 51.7 72.4 98 97 A S E - f 0 126B 0 -2,-0.5 -52,-1.4 -55,-0.4 2,-0.4 -0.787 9.9-169.3 -95.6 133.3 16.9 50.7 71.6 99 98 A I E +ef 46 127B 0 27,-2.0 29,-2.9 -2,-0.4 -52,-0.2 -0.955 13.6 176.7-120.9 145.1 15.1 52.2 68.6 100 99 A S - 0 0 6 -54,-2.9 27,-0.1 -2,-0.4 29,-0.0 -0.428 11.8-178.9-143.3 63.2 11.4 51.9 67.7 101 100 A G - 0 0 7 1,-0.1 -54,-0.1 -54,-0.1 -2,-0.0 -0.240 32.9-127.7 -57.4 154.5 10.6 53.9 64.6 102 101 A L S S+ 0 0 40 2,-0.0 2,-0.3 5,-0.0 -1,-0.1 0.323 90.8 23.9 -89.7 5.9 7.0 53.9 63.4 103 102 A S S > S- 0 0 36 1,-0.1 4,-1.9 47,-0.0 5,-0.2 -0.966 85.5-106.8-157.5 164.2 8.0 52.9 59.9 104 103 A V H > S+ 0 0 18 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.918 119.5 56.2 -62.7 -39.6 10.8 51.1 58.2 105 104 A E H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 105.8 50.6 -58.3 -41.7 12.1 54.4 56.7 106 105 A E H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 111.0 47.7 -66.5 -43.9 12.3 55.9 60.2 107 106 A N H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.910 111.0 51.7 -60.1 -43.5 14.3 53.0 61.6 108 107 A V H X S+ 0 0 13 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.917 107.3 53.1 -60.7 -43.3 16.6 53.1 58.6 109 108 A A H X S+ 0 0 46 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.911 111.9 45.9 -59.7 -42.8 17.2 56.9 59.1 110 109 A M H >X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 3,-0.7 0.939 110.5 50.7 -67.6 -45.4 18.2 56.3 62.7 111 110 A V H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.844 102.4 61.3 -67.9 -29.6 20.5 53.3 62.1 112 111 A R H 3< S+ 0 0 148 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.867 112.1 39.4 -61.1 -35.4 22.5 55.2 59.4 113 112 A R H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.7 0.859 91.5 75.8 -72.2 -35.4 23.9 55.2 64.8 115 114 A A H 3X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.864 93.2 47.1 -47.2 -55.0 26.5 53.2 62.7 116 115 A P H 3> S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.847 114.7 48.7 -58.5 -33.3 29.5 55.6 63.1 117 116 A V H S+ 0 0 20 -3,-0.7 4,-3.2 -4,-0.6 5,-0.7 0.894 110.4 50.3 -73.8 -39.5 28.9 55.8 66.9 118 117 A A H X5S+ 0 0 15 -4,-2.8 4,-1.6 3,-0.2 -1,-0.2 0.927 111.8 49.6 -59.0 -43.8 28.6 52.0 67.1 119 118 A Q H <5S+ 0 0 138 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.887 120.1 35.5 -61.0 -40.5 31.9 51.8 65.2 120 119 A E H <5S+ 0 0 149 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.912 133.7 20.3 -82.3 -43.8 33.7 54.3 67.5 121 120 A K H <5S- 0 0 86 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.642 92.4-122.4-106.8 -22.3 32.1 53.5 70.9 122 121 A G << + 0 0 20 -4,-1.6 -4,-0.2 -5,-0.7 -27,-0.1 0.612 46.7 165.4 83.5 12.8 30.7 50.0 70.7 123 122 A V - 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0 0 0 -5,-2.6 -19,-0.2 -6,-0.2 -1,-0.2 -0.331 22.0-177.7 -64.5 137.0 -19.8 38.5 79.5 580 266 B S S S+ 0 0 5 -21,-3.1 2,-0.2 1,-0.3 -20,-0.2 0.827 79.2 25.6 -88.9 -76.3 -23.2 36.8 79.5 581 267 B M S S- 0 0 0 -22,-0.2 -20,-2.7 -252,-0.0 2,-0.5 -0.560 77.5-147.6 -82.4 154.0 -22.1 33.4 80.8 582 268 B V E -ta 329 561H 0 -254,-3.1 -252,-1.8 -22,-0.2 2,-0.3 -0.990 11.4-155.8-125.2 118.3 -19.0 33.1 82.9 583 269 B Q E -ta 330 562H 1 -22,-3.3 -20,-0.7 -2,-0.5 2,-0.5 -0.723 1.2-153.4-100.6 149.2 -16.9 29.9 82.6 584 270 B V E +t 331 0H 1 -254,-1.8 -252,-2.2 -2,-0.3 -249,-0.1 -0.976 26.0 152.1-128.3 116.5 -14.6 28.5 85.2 585 271 B G S >> S+ 0 0 16 -2,-0.5 4,-2.6 -254,-0.2 3,-0.8 0.694 70.2 24.3-105.1 -92.3 -11.6 26.2 84.3 586 272 B T H 3> S+ 0 0 16 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.853 122.8 52.1 -46.8 -49.1 -8.5 26.1 86.5 587 273 B A H 3> S+ 0 0 4 -22,-0.4 4,-2.6 1,-0.2 5,-0.3 0.848 112.2 46.4 -63.4 -35.1 -10.3 27.2 89.7 588 274 B L H <> S+ 0 0 2 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.887 109.9 53.6 -71.3 -40.7 -12.9 24.5 89.2 589 275 B Q H < S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.4 37.1 -57.1 -38.9 -10.2 21.9 88.5 590 276 B E H < S+ 0 0 107 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.886 128.2 29.9 -83.6 -39.7 -8.5 22.9 91.8 591 277 B E H < S- 0 0 93 -4,-2.6 3,-0.3 -5,-0.2 -3,-0.2 0.744 98.8-134.1 -95.6 -27.6 -11.5 23.6 94.1 592 278 B G >< - 0 0 22 -4,-2.3 3,-2.3 -5,-0.3 -1,-0.2 -0.213 45.7 -49.6 87.9 173.5 -14.2 21.2 92.7 593 279 B P T > S+ 0 0 44 0, 0.0 3,-1.4 0, 0.0 -243,-0.4 0.597 120.0 79.9 -66.6 -11.8 -17.9 21.9 92.0 594 280 B G T >> S+ 0 0 47 -3,-0.3 4,-1.3 1,-0.2 3,-0.9 0.738 74.9 81.3 -59.8 -21.5 -18.5 23.5 95.4 595 281 B I H <> S+ 0 0 0 -3,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.835 79.3 66.7 -53.7 -31.7 -16.9 26.6 93.8 596 282 B F H <> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.884 98.7 47.8 -65.0 -37.9 -20.3 27.4 92.2 597 283 B T H <> S+ 0 0 73 -3,-0.9 4,-2.4 -4,-0.4 -1,-0.2 0.900 113.6 49.7 -67.5 -37.5 -22.1 28.2 95.4 598 284 B R H X S+ 0 0 70 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.923 110.3 48.7 -65.4 -44.3 -19.2 30.4 96.5 599 285 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.909 112.0 49.8 -63.2 -42.9 -19.1 32.3 93.2 600 286 B E H X S+ 0 0 29 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.945 113.0 46.0 -59.6 -49.3 -22.9 32.9 93.4 601 287 B D H X S+ 0 0 107 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.911 114.6 47.8 -60.4 -43.3 -22.7 34.1 97.0 602 288 B E H X S+ 0 0 65 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.898 112.3 48.1 -68.7 -39.8 -19.7 36.4 96.2 603 289 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.922 111.6 50.4 -65.8 -42.9 -21.3 37.9 93.1 604 290 B L H X S+ 0 0 45 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.872 107.9 54.3 -62.6 -36.4 -24.5 38.6 94.9 605 291 B E H X S+ 0 0 125 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.916 109.4 46.6 -63.0 -44.2 -22.6 40.3 97.7 606 292 B I H X S+ 0 0 8 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.927 112.9 49.9 -63.7 -44.3 -20.9 42.7 95.3 607 293 B M H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-1.0 0.916 110.3 50.3 -60.4 -45.0 -24.2 43.4 93.5 608 294 B A H ><5S+ 0 0 54 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.914 109.6 50.5 -58.0 -46.4 -25.9 44.1 96.9 609 295 B R H 3<5S+ 0 0 153 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 117.0 41.0 -61.0 -34.0 -23.1 46.5 97.9 610 296 B K H 3<5S- 0 0 52 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.504 111.9-116.7 -94.0 -8.2 -23.4 48.4 94.6 611 297 B G T <<5 + 0 0 52 -4,-1.0 2,-0.4 -3,-0.6 -3,-0.2 0.685 61.2 150.3 77.0 20.3 -27.2 48.3 94.4 612 298 B Y < - 0 0 48 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.734 24.2-177.4 -85.3 131.0 -27.4 46.2 91.3 613 299 B R + 0 0 179 -2,-0.4 -298,-2.4 1,-0.2 2,-0.3 0.706 66.2 20.6 -99.3 -27.2 -30.5 44.0 91.1 614 300 B T S > S- 0 0 33 -300,-0.2 3,-0.7 -298,-0.1 4,-0.3 -0.920 75.5-113.6-139.2 163.7 -29.8 42.1 87.8 615 301 B L G >> S+ 0 0 0 -300,-0.4 4,-1.9 -298,-0.4 3,-1.5 0.842 111.7 64.4 -67.2 -33.1 -26.9 41.3 85.6 616 302 B E G 34 S+ 0 0 103 1,-0.3 -1,-0.2 2,-0.2 -298,-0.0 0.734 88.0 71.2 -63.7 -23.2 -28.2 43.5 82.8 617 303 B E G <4 S+ 0 0 86 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.748 118.5 14.6 -67.0 -22.6 -27.7 46.5 85.0 618 304 B F T X4 S+ 0 0 0 -3,-1.5 3,-2.3 -4,-0.3 -2,-0.2 0.499 87.4 126.8-129.8 -6.4 -23.9 46.3 84.7 619 305 B R T 3< S- 0 0 39 -4,-1.9 -43,-0.3 1,-0.3 -44,-0.1 -0.339 91.8 -1.2 -58.4 125.3 -23.1 43.9 81.8 620 306 B G T 3 S+ 0 0 16 -45,-2.6 -1,-0.3 -46,-0.2 -44,-0.2 0.510 98.1 121.8 75.3 7.1 -20.7 45.6 79.4 621 307 B R < + 0 0 167 -3,-2.3 -44,-0.2 -46,-0.2 -2,-0.1 0.167 27.0 145.7 -94.7 18.0 -20.8 48.8 81.5 622 308 B V - 0 0 12 -46,-2.0 2,-0.3 -47,-0.1 -413,-0.2 -0.297 46.7-128.6 -50.3 133.8 -17.0 49.0 82.2 623 309 B K B -p 209 0E 123 -415,-2.9 -413,-2.6 -416,-0.1 2,-0.2 -0.688 16.7-153.3 -91.1 141.2 -16.1 52.7 82.3 624 310 B T - 0 0 62 -2,-0.3 2,-0.5 -415,-0.2 -411,-0.1 -0.687 28.6 -99.9-104.5 166.0 -13.2 54.2 80.2 625 311 B I 0 0 56 -413,-0.4 -409,-0.2 -2,-0.2 -408,-0.1 -0.782 360.0 360.0 -93.4 123.0 -11.2 57.3 81.2 626 312 B E 0 0 123 -2,-0.5 -1,-0.1 0, 0.0 -413,-0.0 0.785 360.0 360.0 -73.6 360.0 -12.2 60.5 79.4