==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JUN-03 1PVN . COMPND 2 MOLECULE: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITRICHOMONAS FOETUS; . AUTHOR L.GAN,M.SEYEDSAYAMDOST,S.SHUTO,A.MATSUDA,G.A.PETSKO, . 1448 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1018 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 7.2 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 . 4 0.3 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 . 98 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.7 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 8 0 0 8 0 8 4 4 4 0 4 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 20 16 12 8 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 . 4 12 4 4 4 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 . 8 0 8 0 0 0 0 4 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 2 A A 0 0 55 0, 0.0 2,-0.4 0, 0.0 706,-0.2 0.000 360.0 360.0 360.0 163.2 -18.4 57.1 27.8 2 3 A K E -a 707 0A 93 704,-2.6 706,-2.8 703,-0.1 2,-0.2 -0.888 360.0-170.9-109.7 138.2 -17.0 57.8 31.3 3 4 A Y E -a 708 0A 83 -2,-0.4 2,-0.3 704,-0.2 706,-0.2 -0.730 14.0-126.1-122.0 172.0 -13.8 56.2 32.6 4 5 A Y - 0 0 58 704,-0.5 706,-0.1 -2,-0.2 703,-0.0 -0.863 13.4-129.7-122.5 156.3 -12.0 56.1 36.0 5 6 A N S S+ 0 0 163 -2,-0.3 -1,-0.1 1,-0.1 704,-0.0 0.745 92.5 31.9 -73.3 -26.3 -8.5 57.0 37.2 6 7 A E S S- 0 0 138 704,-0.1 704,-0.3 0, 0.0 2,-0.1 -0.946 82.4-113.0-133.9 153.6 -7.9 53.7 39.0 7 8 A P - 0 0 36 0, 0.0 704,-0.3 0, 0.0 2,-0.1 -0.427 43.8-100.1 -78.1 160.4 -9.0 50.1 38.4 8 9 A C B -d 711 0B 0 702,-2.2 704,-2.1 -2,-0.1 707,-0.3 -0.472 39.5-165.8 -81.2 154.6 -11.3 48.4 41.0 9 10 A H - 0 0 27 190,-0.3 193,-2.0 -2,-0.1 192,-0.4 -0.841 3.0-150.4-132.6 169.2 -10.0 46.2 43.7 10 11 A T > - 0 0 4 -2,-0.3 3,-2.5 191,-0.2 4,-0.2 -0.868 38.8 -72.6-139.7 176.2 -11.4 43.7 46.1 11 12 A F G > S+ 0 0 2 1,-0.3 3,-2.2 -2,-0.3 704,-0.1 0.711 116.7 60.1 -34.8 -53.2 -10.8 42.1 49.6 12 13 A N G 3 S+ 0 0 56 1,-0.3 -1,-0.3 702,-0.1 703,-0.0 0.678 99.8 61.8 -57.4 -16.8 -7.8 39.8 49.0 13 14 A E G < S+ 0 0 21 -3,-2.5 334,-2.3 333,-0.1 2,-0.3 0.427 95.6 77.7 -90.4 1.1 -5.8 43.0 48.0 14 15 A Y E < +E 346 0C 11 -3,-2.2 2,-0.3 332,-0.2 332,-0.2 -0.811 47.3 179.4-119.2 157.1 -6.1 44.7 51.3 15 16 A L E -E 345 0C 7 330,-1.8 330,-2.3 -2,-0.3 2,-0.4 -0.978 27.2-122.6-144.3 152.2 -4.6 44.7 54.8 16 17 A L E -Ef 3441288C 1 1271,-2.9 1273,-2.0 -2,-0.3 328,-0.2 -0.817 17.3-143.8 -98.0 136.4 -5.2 46.7 58.0 17 18 A I - 0 0 1 326,-2.8 326,-0.3 -2,-0.4 1273,-0.1 -0.905 30.3-116.9-100.5 114.8 -2.3 48.6 59.5 18 19 A P - 0 0 4 0, 0.0 312,-0.2 0, 0.0 1236,-0.2 -0.113 28.6-163.0 -52.4 143.3 -2.7 48.5 63.3 19 20 A G - 0 0 12 310,-0.7 2,-0.3 1,-0.1 312,-0.2 -0.286 47.4 -44.5-108.4-162.5 -3.1 51.7 65.3 20 21 A L - 0 0 63 310,-0.2 2,-0.6 -2,-0.1 1208,-0.2 -0.524 50.5-154.2 -74.2 129.1 -2.7 52.2 69.0 21 22 A S B -h 1228 0D 2 1206,-2.1 1208,-2.5 -2,-0.3 1209,-0.4 -0.915 11.7-155.9-103.0 120.2 -4.2 49.6 71.3 22 23 A T > - 0 0 36 -2,-0.6 3,-2.2 1206,-0.2 309,-0.1 -0.443 34.5 -99.6 -88.7 168.8 -5.1 50.9 74.7 23 24 A V T 3 S+ 0 0 42 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.738 124.2 57.8 -61.2 -21.3 -5.3 48.7 77.8 24 25 A D T 3 S+ 0 0 80 1,-0.1 2,-2.1 307,-0.0 -1,-0.3 0.475 76.3 101.2 -87.2 -2.3 -9.1 48.8 77.4 25 26 A C < + 0 0 3 -3,-2.2 -1,-0.1 303,-0.1 306,-0.1 -0.476 49.9 146.1 -83.0 70.0 -8.8 47.3 73.8 26 27 A I > - 0 0 32 -2,-2.1 3,-2.4 1357,-0.1 4,-0.4 -0.894 57.5-126.1-108.5 135.6 -9.7 43.8 75.0 27 28 A P G > S+ 0 0 28 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.822 110.0 59.9 -48.4 -36.8 -11.7 41.5 72.6 28 29 A S G 3 S+ 0 0 97 1,-0.3 -3,-0.1 3,-0.0 297,-0.0 0.708 101.7 54.4 -67.5 -20.2 -14.3 40.9 75.4 29 30 A N G < S+ 0 0 86 -3,-2.4 2,-0.3 -5,-0.1 -1,-0.3 0.465 81.9 115.4 -91.4 -3.4 -15.1 44.6 75.5 30 31 A V < - 0 0 10 -3,-1.4 2,-0.6 -4,-0.4 304,-0.2 -0.529 53.7-153.4 -73.7 129.7 -15.8 44.9 71.8 31 32 A N B -i 334 0E 82 302,-3.4 304,-0.6 -2,-0.3 20,-0.1 -0.914 11.1-174.9-105.2 115.0 -19.4 45.8 70.9 32 33 A L + 0 0 7 -2,-0.6 -1,-0.1 18,-0.3 302,-0.1 0.194 35.6 135.3 -94.9 15.7 -20.5 44.4 67.5 33 34 A S + 0 0 47 18,-0.1 302,-0.4 15,-0.1 17,-0.2 -0.276 29.1 178.0 -63.5 149.4 -23.9 46.1 67.4 34 35 A T E -J 49 0F 3 15,-1.8 15,-2.7 17,-0.1 2,-0.2 -0.989 30.2-106.5-156.3 145.2 -24.9 47.8 64.2 35 36 A P E -J 48 0F 18 0, 0.0 13,-0.2 0, 0.0 3,-0.1 -0.466 21.6-172.3 -73.6 142.3 -27.9 49.7 62.7 36 37 A L + 0 0 0 11,-2.8 2,-0.3 1,-0.2 12,-0.1 0.762 67.4 37.4-102.4 -34.4 -30.0 48.0 60.1 37 38 A V S S- 0 0 0 10,-0.7 10,-0.2 1,-0.1 140,-0.2 -0.896 92.1 -85.9-125.3 153.3 -32.3 50.8 59.0 38 39 A K + 0 0 42 138,-2.1 8,-0.3 -2,-0.3 2,-0.3 -0.079 47.3 172.0 -54.9 147.4 -31.9 54.6 58.4 39 40 A F E -K 221 0G 43 182,-1.6 182,-2.8 6,-0.1 2,-0.2 -0.922 33.1 -88.8-149.2 170.7 -32.3 57.1 61.2 40 41 A Q E > -K 220 0G 88 -2,-0.3 3,-2.4 180,-0.2 180,-0.2 -0.587 54.7 -84.7 -87.7 148.0 -31.8 60.8 62.0 41 42 A K T 3 S+ 0 0 149 178,-2.7 -1,-0.1 1,-0.3 3,-0.1 -0.162 116.2 21.2 -49.8 137.3 -28.5 62.3 63.2 42 43 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.198 111.3 93.5 87.2 -16.0 -28.1 62.0 66.9 43 44 A Q S < S- 0 0 135 -3,-2.4 -1,-0.3 1,-0.0 2,-0.3 -0.412 72.9-111.6-104.3 179.9 -30.6 59.2 67.1 44 45 A Q - 0 0 158 -2,-0.1 -4,-0.2 -3,-0.1 2,-0.1 -0.815 35.3-102.1-109.8 151.4 -30.5 55.4 67.1 45 46 A S - 0 0 6 -2,-0.3 -6,-0.1 1,-0.1 3,-0.1 -0.395 25.2-126.5 -68.3 149.9 -31.8 53.0 64.4 46 47 A E S S+ 0 0 139 -8,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.703 101.6 41.8 -70.5 -19.5 -35.2 51.4 65.1 47 48 A I + 0 0 23 -10,-0.2 -11,-2.8 2,-0.0 -10,-0.7 -0.960 69.2 175.3-133.3 116.8 -33.5 48.1 64.4 48 49 A N E -J 35 0F 62 -2,-0.4 2,-0.2 -13,-0.2 -15,-0.1 -0.977 18.8-145.5-122.4 130.0 -30.0 47.2 65.7 49 50 A L E -J 34 0F 2 -15,-2.7 -15,-1.8 -2,-0.4 26,-0.2 -0.527 12.2-138.6 -86.6 160.3 -28.4 43.8 65.2 50 51 A K S S+ 0 0 159 24,-2.4 -18,-0.3 1,-0.2 25,-0.2 0.696 93.9 27.1 -90.0 -23.0 -26.1 42.5 67.9 51 52 A I S S- 0 0 15 23,-1.5 2,-0.5 2,-0.2 -1,-0.2 -0.984 84.1-122.4-135.1 145.7 -23.6 41.2 65.2 52 53 A P S S+ 0 0 1 0, 0.0 195,-2.9 0, 0.0 2,-0.4 -0.037 73.9 109.7 -80.7 34.8 -23.2 42.6 61.7 53 54 A L E +l 247 0H 1 -2,-0.5 23,-1.1 193,-0.2 2,-0.4 -0.931 37.6 173.6-116.7 132.3 -24.0 39.4 59.8 54 55 A V E -lm 248 76H 0 193,-2.7 195,-2.3 -2,-0.4 2,-0.3 -0.988 29.2-119.7-133.6 142.5 -27.1 38.7 57.7 55 56 A S E -lm 249 77H 0 21,-1.2 23,-1.1 -2,-0.4 195,-0.2 -0.612 36.2 -98.8 -87.1 143.4 -27.9 35.7 55.5 56 57 A A - 0 0 5 193,-2.4 2,-2.3 -2,-0.3 6,-0.6 -0.100 29.5-109.8 -58.2 150.7 -28.5 36.0 51.7 57 58 A I S S+ 0 0 4 4,-0.1 2,-0.3 22,-0.1 24,-0.2 -0.518 75.4 130.4 -80.9 72.8 -31.9 36.1 50.1 58 59 A M >> - 0 0 18 -2,-2.3 3,-1.7 20,-0.2 4,-1.5 -0.978 67.8-132.0-136.8 146.1 -31.4 32.6 48.6 59 60 A Q T 34 S+ 0 0 39 -2,-0.3 -1,-0.1 1,-0.3 217,-0.1 0.867 111.7 49.4 -57.9 -40.6 -33.3 29.3 48.4 60 61 A S T 34 S+ 0 0 0 215,-0.4 201,-0.3 1,-0.1 -1,-0.3 0.302 123.7 27.5 -85.3 11.1 -30.1 27.5 49.4 61 62 A V T <4 S+ 0 0 0 -3,-1.7 2,-1.3 198,-0.1 -2,-0.2 0.622 105.3 54.4-132.0 -64.2 -29.5 29.7 52.4 62 63 A S < + 0 0 0 -4,-1.5 18,-1.2 -6,-0.6 2,-0.1 -0.566 64.6 136.5 -90.7 79.3 -32.2 31.5 54.3 63 64 A G S > S- 0 0 3 -2,-1.3 4,-2.3 195,-0.2 5,-0.2 -0.336 71.6 -80.5-103.6-170.5 -34.9 29.0 55.4 64 65 A E H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 128.0 49.2 -60.7 -46.9 -36.7 28.8 58.7 65 66 A K H > S+ 0 0 158 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 112.3 48.7 -61.4 -40.6 -33.8 27.0 60.6 66 67 A M H > S+ 0 0 0 192,-0.5 4,-3.0 2,-0.2 5,-0.3 0.942 109.5 52.1 -63.9 -48.5 -31.3 29.5 59.3 67 68 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.882 113.2 44.0 -56.2 -43.3 -33.4 32.5 60.4 68 69 A I H X S+ 0 0 18 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.941 115.1 47.6 -68.5 -48.5 -33.9 31.1 63.9 69 70 A A H X S+ 0 0 11 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.903 116.3 42.8 -60.9 -43.9 -30.2 30.1 64.4 70 71 A L H <>S+ 0 0 0 -4,-3.0 5,-2.4 2,-0.2 4,-0.5 0.899 112.1 53.3 -71.8 -39.2 -28.8 33.4 63.1 71 72 A A H ><5S+ 0 0 15 -4,-2.0 3,-1.5 -5,-0.3 -2,-0.2 0.915 105.4 56.2 -60.6 -40.6 -31.4 35.5 65.0 72 73 A R H 3<5S+ 0 0 129 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 106.8 49.6 -59.4 -33.7 -30.3 33.7 68.2 73 74 A E T 3<5S- 0 0 54 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.472 128.9 -94.0 -86.6 -2.3 -26.7 34.8 67.6 74 75 A G T < 5S+ 0 0 9 -3,-1.5 -24,-2.4 -4,-0.5 -23,-1.5 0.428 92.9 93.8 108.9 -2.1 -27.7 38.4 67.0 75 76 A G < - 0 0 2 -5,-2.4 2,-0.3 -26,-0.2 -1,-0.3 -0.090 63.0-122.9-103.7-156.1 -28.0 38.7 63.3 76 77 A I E -m 54 0H 1 -23,-1.1 -21,-1.2 -3,-0.1 2,-0.3 -0.986 8.2-144.6-155.3 144.9 -31.0 38.4 60.9 77 78 A S E -m 55 0H 0 25,-0.4 27,-3.2 -2,-0.3 2,-0.8 -0.834 11.9-139.9-110.0 149.1 -31.9 36.3 57.9 78 79 A F E -n 104 0H 0 -23,-1.1 27,-0.3 -2,-0.3 -20,-0.2 -0.876 26.8-131.4-109.3 97.7 -33.9 37.5 54.8 79 80 A I E -n 105 0H 0 25,-2.2 27,-2.6 -2,-0.8 -16,-0.2 -0.216 35.5-101.1 -47.8 128.9 -36.2 34.6 54.0 80 81 A F - 0 0 22 -18,-1.2 -1,-0.1 -22,-0.4 -22,-0.1 -0.199 24.9-156.6 -59.3 142.9 -35.9 34.0 50.2 81 82 A G + 0 0 10 -24,-0.2 2,-2.2 1,-0.1 -1,-0.1 0.433 68.1 101.2-100.0 -2.0 -38.6 35.4 48.0 82 83 A S S S+ 0 0 17 -25,-0.1 2,-0.3 25,-0.1 -1,-0.1 -0.410 76.9 66.3 -82.1 61.9 -38.0 33.0 45.1 83 84 A Q S S- 0 0 36 -2,-2.2 5,-0.0 201,-0.0 -24,-0.0 -0.935 101.7 -57.7-164.9 171.0 -41.0 31.0 46.2 84 85 A S > - 0 0 62 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.225 45.3-121.2 -60.8 151.3 -44.8 31.5 46.4 85 86 A I H > S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 113.2 53.7 -57.8 -44.2 -46.0 34.4 48.6 86 87 A E H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 110.0 44.6 -58.2 -48.9 -48.0 31.9 50.7 87 88 A S H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.871 114.4 49.0 -67.1 -36.2 -45.0 29.7 51.4 88 89 A Q H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.931 110.8 50.3 -68.7 -43.7 -42.7 32.6 52.2 89 90 A A H X S+ 0 0 15 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.892 108.7 53.7 -59.8 -39.1 -45.3 34.2 54.5 90 91 A A H X S+ 0 0 56 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.887 108.0 49.6 -63.3 -40.4 -45.6 30.9 56.3 91 92 A M H X S+ 0 0 37 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.938 111.9 47.6 -64.1 -46.9 -41.8 30.7 56.8 92 93 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.924 112.1 50.5 -59.3 -45.3 -41.7 34.3 58.3 93 94 A H H X S+ 0 0 98 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.903 108.1 52.2 -60.5 -43.2 -44.7 33.4 60.5 94 95 A A H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 112.1 45.9 -62.4 -38.3 -43.0 30.3 61.8 95 96 A V H >< S+ 0 0 1 -4,-1.9 3,-1.2 1,-0.2 6,-0.4 0.924 112.8 49.5 -70.7 -44.7 -39.9 32.2 62.7 96 97 A K H 3< S+ 0 0 12 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.795 118.9 38.6 -65.2 -29.7 -41.8 35.1 64.4 97 98 A N T 3< 0 0 94 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.125 360.0 360.0-109.2 21.3 -43.9 32.7 66.4 98 99 A F < 0 0 144 -3,-1.2 -1,-0.1 3,-0.1 -2,-0.1 0.961 360.0 360.0 -64.8 360.0 -41.2 30.2 67.3 99 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 231 A R 0 0 210 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 121.8 -39.3 37.2 69.6 101 232 A Y - 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X 0 303L 23 -2,-0.3 -215,-0.4 28,-0.2 28,-0.2 -0.955 30.2-110.3-133.5 152.4 -26.7 27.4 44.1 276 407 A G > - 0 0 0 26,-2.4 3,-1.6 -2,-0.3 6,-0.5 -0.400 22.7-125.1 -77.7 155.1 -27.2 30.9 42.7 277 408 A E T 3 S+ 0 0 5 1,-0.3 7,-1.9 5,-0.1 10,-0.1 0.704 113.6 57.7 -70.0 -17.9 -30.6 32.5 42.3 278 409 A G T 3 S+ 0 0 0 5,-0.1 22,-2.2 22,-0.1 23,-1.1 0.274 86.2 102.0 -95.0 9.2 -29.6 33.1 38.7 279 410 A S S <> S- 0 0 0 -3,-1.6 4,-2.7 21,-0.2 3,-0.5 -0.551 86.7-112.7 -89.4 159.6 -29.0 29.4 38.0 280 411 A S T 4 S+ 0 0 71 21,-0.3 -1,-0.1 1,-0.2 22,-0.1 0.779 116.1 63.2 -61.6 -24.7 -31.5 27.2 36.1 281 412 A R T 4 S+ 0 0 68 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.911 112.8 31.0 -66.7 -43.6 -32.1 25.4 39.4 282 413 A A T 4 S- 0 0 8 -6,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.881 82.1-164.6 -82.4 -42.7 -33.4 28.5 41.2 283 414 A R < + 0 0 168 -4,-2.7 2,-2.0 1,-0.2 3,-0.2 0.846 21.0 165.0 59.2 35.9 -35.0 30.2 38.3 284 415 A N > + 0 0 6 -7,-1.9 3,-0.7 -5,-0.3 4,-0.4 -0.546 2.4 161.9 -83.2 75.5 -35.3 33.5 40.2 285 416 A W G > + 0 0 40 -2,-2.0 3,-1.2 1,-0.2 4,-0.3 0.776 63.8 69.1 -67.6 -27.3 -35.9 35.5 37.0 286 417 A Q G > S+ 0 0 36 1,-0.3 3,-1.1 -3,-0.2 -177,-0.3 0.847 90.7 62.3 -59.6 -34.5 -37.3 38.5 39.0 287 418 A R G < S+ 0 0 43 -3,-0.7 -155,-2.7 1,-0.3 -154,-0.5 0.752 114.7 32.4 -63.3 -24.7 -33.9 39.1 40.4 288 419 A Y G < S+ 0 0 37 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.215 89.0 144.4-116.6 13.4 -32.6 39.9 36.9 289 420 A D < + 0 0 21 -3,-1.1 -3,-0.1 -4,-0.3 5,-0.1 -0.295 22.6 173.2 -60.5 129.3 -35.9 41.3 35.5 290 421 A L S S- 0 0 19 3,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.128 72.0 -80.1-125.7 32.4 -35.5 44.2 33.0 291 422 A G S S+ 0 0 18 1,-0.1 99,-0.1 99,-0.1 3,-0.1 0.592 100.8 114.3 80.0 11.6 -39.2 44.4 32.2 292 423 A G S S- 0 0 29 1,-0.3 -1,-0.1 3,-0.1 2,-0.1 0.143 72.1 -30.4 -93.1-150.7 -39.0 41.5 29.8 293 424 A K - 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0 0 0 -5,-2.2 -18,-0.2 1,-0.1 -1,-0.2 -0.277 32.2-145.5 -60.1 143.5 35.0 55.2 26.2 904 307 C D S S+ 0 0 0 -20,-2.7 -138,-2.1 1,-0.3 2,-0.3 0.698 84.0 1.1 -83.3 -22.5 34.4 54.8 22.5 905 308 C F E S-k 885 0d 0 -21,-0.6 -19,-2.1 -140,-0.2 2,-0.5 -0.949 73.2-134.8-159.0 151.3 31.1 53.0 23.1 906 309 C I E -kl 886 952d 0 45,-2.0 47,-2.3 -2,-0.3 2,-0.4 -0.965 11.6-140.7-122.1 129.2 29.2 52.1 26.3 907 310 C K E -kl 887 953d 1 -21,-2.7 -18,-1.3 -2,-0.5 -19,-1.1 -0.697 16.0-151.1 -90.1 134.3 27.6 48.7 27.0 908 311 C I E +kl 889 954d 0 45,-3.7 47,-2.6 -2,-0.4 -18,-0.2 -0.838 43.1 65.5-108.8 137.4 24.2 48.6 28.8 909 312 C G - 0 0 5 -20,-1.9 2,-0.4 -2,-0.4 -19,-0.1 0.071 36.3-162.4 125.0 127.7 22.9 45.9 31.1 910 313 C I S S- 0 0 3 16,-0.5 16,-1.2 -20,-0.1 -1,-0.1 -0.957 80.1 -5.8-138.3 116.7 23.3 44.1 34.4 911 314 C G S S+ 0 0 7 -2,-0.4 8,-0.2 14,-0.2 5,-0.1 0.356 93.8 108.2 88.0 -5.7 21.6 40.7 35.2 912 315 C G + 0 0 2 43,-0.3 45,-0.2 14,-0.1 44,-0.1 0.632 45.7 118.6 -80.7 -12.6 19.6 40.3 32.0 913 316 C G S > S- 0 0 20 43,-0.2 3,-1.6 42,-0.1 537,-0.1 -0.210 71.7-125.1 -57.1 141.3 21.7 37.6 30.6 914 317 C S T 3 S+ 0 0 8 1,-0.3 536,-2.5 535,-0.2 538,-0.2 0.817 112.6 36.3 -55.0 -36.0 20.1 34.2 30.0 915 318 C I T 3 S+ 0 0 12 534,-0.2 115,-2.1 88,-0.1 2,-0.4 0.250 97.2 110.3-102.9 12.3 22.7 32.4 32.0 916 319 C C B < +O 1029 0f 12 -3,-1.6 113,-0.3 532,-0.3 3,-0.1 -0.730 32.9 170.4 -94.5 134.1 23.1 35.2 34.6 917 320 C I >> + 0 0 29 111,-2.5 4,-1.5 -2,-0.4 3,-0.6 0.047 44.3 116.1-125.1 23.8 22.0 34.9 38.2 918 321 C T H 3>>S+ 0 0 0 110,-0.6 4,-3.3 1,-0.2 5,-1.0 0.898 73.7 55.8 -58.8 -43.7 23.6 38.1 39.5 919 322 C R H 345S+ 0 0 7 528,-0.5 -1,-0.2 1,-0.2 529,-0.1 0.781 112.8 42.6 -62.2 -26.2 20.3 39.7 40.4 920 323 C E H <45S+ 0 0 98 -3,-0.6 406,-0.4 527,-0.4 -1,-0.2 0.673 120.1 41.9 -92.7 -20.4 19.4 36.7 42.5 921 324 C Q H <5S+ 0 0 41 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.2 0.849 134.8 12.4 -92.1 -41.5 22.9 36.4 44.2 922 325 C K T <5S- 0 0 7 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.597 90.3-126.2-113.0 -18.5 23.7 40.1 44.8 923 326 C G < + 0 0 0 -5,-1.0 185,-2.9 1,-0.3 2,-0.3 0.760 66.0 126.2 77.4 23.2 20.4 41.9 44.3 924 327 C I B +z 1108 0Y 0 -6,-0.5 -1,-0.3 183,-0.2 2,-0.3 -0.865 32.2 68.7-114.1 151.0 21.9 44.4 41.7 925 328 C G - 0 0 0 183,-2.0 2,-0.3 -2,-0.3 -14,-0.2 -0.861 54.1-121.7 139.8-174.4 20.6 45.2 38.3 926 329 C R - 0 0 14 -16,-1.2 -16,-0.5 -2,-0.3 -14,-0.1 -0.960 41.3 -79.6-165.8 149.3 17.8 46.7 36.3 927 330 C G > - 0 0 0 -2,-0.3 4,-2.3 1,-0.1 -190,-0.3 -0.340 44.8-127.8 -54.7 133.5 15.2 45.7 33.7 928 331 C Q H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -190,-0.2 0.871 104.3 49.1 -54.7 -45.4 17.1 45.7 30.4 929 332 C A H > S+ 0 0 0 -192,-0.4 4,-2.8 2,-0.2 5,-0.2 0.945 111.9 47.5 -61.6 -49.6 14.5 47.9 28.5 930 333 C T H > S+ 0 0 24 -193,-2.0 4,-2.4 1,-0.2 5,-0.2 0.895 111.8 52.5 -58.1 -40.2 14.4 50.5 31.3 931 334 C A H X S+ 0 0 0 -4,-2.3 4,-2.6 -194,-0.3 5,-0.2 0.941 111.0 45.6 -61.7 -48.5 18.2 50.5 31.4 932 335 C V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.953 113.7 49.1 -60.2 -49.9 18.5 51.1 27.6 933 336 C I H X S+ 0 0 41 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.893 114.4 45.1 -57.2 -43.1 15.9 53.9 27.6 934 337 C D H X S+ 0 0 55 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.923 115.1 46.3 -68.8 -46.1 17.5 55.7 30.5 935 338 C V H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.903 111.0 52.8 -63.8 -41.8 21.0 55.4 29.2 936 339 C V H X S+ 0 0 10 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.891 105.8 54.4 -61.2 -40.3 20.0 56.5 25.7 937 340 C A H X S+ 0 0 39 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.924 112.2 43.6 -60.4 -43.5 18.3 59.6 27.2 938 341 C E H X S+ 0 0 35 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.887 110.6 55.6 -69.3 -38.3 21.5 60.6 28.9 939 342 C R H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 11,-0.2 0.893 108.0 48.9 -60.6 -39.9 23.6 59.7 25.7 940 343 C N H X S+ 0 0 69 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.830 111.1 49.0 -70.9 -31.8 21.4 62.2 23.7 941 344 C K H X S+ 0 0 109 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.917 110.7 51.3 -70.8 -42.0 21.8 64.9 26.3 942 345 C Y H X S+ 0 0 18 -4,-2.7 4,-2.9 1,-0.2 6,-0.5 0.884 108.4 52.4 -59.9 -41.0 25.6 64.3 26.3 943 346 C F H X S+ 0 0 54 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.913 109.7 47.6 -62.4 -45.4 25.6 64.6 22.5 944 347 C E H < S+ 0 0 164 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 116.2 45.9 -65.5 -32.8 23.8 67.9 22.5 945 348 C E H < S+ 0 0 118 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.894 129.8 18.6 -76.0 -43.7 26.2 69.2 25.2 946 349 C T H < S- 0 0 53 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.598 90.5-124.6-106.7 -16.4 29.5 68.0 23.7 947 350 C G S < S+ 0 0 16 -4,-2.7 -178,-2.8 -5,-0.4 2,-0.5 0.573 74.0 124.3 79.1 7.3 28.8 67.3 20.0 948 351 C I E -E 768 0c 45 -6,-0.5 2,-0.6 -180,-0.2 -1,-0.3 -0.902 51.2-153.5-107.1 122.7 30.1 63.8 20.6 949 352 C Y E -E 767 0c 32 -182,-2.8 -182,-1.7 -2,-0.5 -9,-0.1 -0.858 9.0-165.7 -97.9 118.1 27.9 60.9 19.7 950 353 C I - 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