==== 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 ISOMERASE 20-JAN-10 2X30 . COMPND 2 MOLECULE: PHOSPHORIBOSYL ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR L.NODA-GARCIA,A.R.CAMACHO-ZARCO,K.VERDEL-ARANDA,H.WRIGHT,X.S . 233 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.2 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 . 2 0.9 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 2 0 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 . 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 215 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 82.0 30.1 33.1 47.0 2 2 A S + 0 0 75 1,-0.1 2,-0.7 201,-0.1 204,-0.1 0.295 360.0 127.3 59.1 -9.7 26.2 33.1 47.0 3 3 A K - 0 0 87 -2,-0.2 2,-0.5 231,-0.1 231,-0.2 -0.705 46.4-158.1 -91.9 110.7 26.2 33.9 43.3 4 4 A L - 0 0 0 229,-2.2 2,-0.3 -2,-0.7 208,-0.2 -0.730 19.8-129.3 -80.0 124.9 24.1 31.7 41.0 5 5 A E E -a 212 0A 42 206,-2.6 208,-2.4 -2,-0.5 2,-0.5 -0.586 20.7-143.7 -71.5 137.9 25.3 31.8 37.4 6 6 A L E -a 213 0A 1 -2,-0.3 42,-0.7 206,-0.2 41,-0.4 -0.922 15.8-173.2-109.8 126.0 22.4 32.4 34.9 7 7 A L E -a 214 0A 0 206,-2.5 208,-1.7 -2,-0.5 42,-0.2 -0.803 13.0-153.3-120.2 89.4 22.3 30.8 31.5 8 8 A P E -a 215 0A 0 0, 0.0 42,-2.9 0, 0.0 2,-0.3 -0.399 24.3-128.9 -57.4 130.9 19.4 32.1 29.3 9 9 A A E -b 50 0A 6 206,-3.0 2,-0.4 40,-0.2 42,-0.2 -0.667 25.1-172.8 -95.6 136.1 18.4 29.3 26.8 10 10 A V E -b 51 0A 0 40,-3.1 42,-3.1 -2,-0.3 2,-0.5 -0.940 14.3-170.7-121.4 104.7 18.0 29.5 23.0 11 11 A D E -b 52 0A 16 -2,-0.4 7,-2.6 7,-0.4 2,-0.5 -0.879 12.0-148.9 -99.1 122.4 16.6 26.2 21.9 12 12 A V E +bC 53 17A 0 40,-4.0 42,-2.3 -2,-0.5 43,-0.9 -0.818 25.3 160.4-107.3 123.6 16.6 25.9 18.1 13 13 A R E > S- C 0 16A 27 3,-2.5 3,-1.8 -2,-0.5 -2,-0.0 -0.983 73.4 -10.9-138.1 135.0 14.1 23.9 15.9 14 14 A D T 3 S- 0 0 128 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.879 130.0 -54.0 49.7 41.8 13.4 24.3 12.2 15 15 A G T 3 S+ 0 0 31 1,-0.2 2,-0.3 18,-0.0 -1,-0.3 0.614 119.4 103.5 73.6 14.7 15.5 27.6 12.3 16 16 A Q E < S-C 13 0A 64 -3,-1.8 -3,-2.5 17,-0.1 2,-0.5 -0.869 77.2-112.3-125.8 157.3 13.5 29.1 15.1 17 17 A A E -C 12 0A 0 15,-3.2 14,-4.6 -2,-0.3 15,-0.4 -0.807 52.2-178.4 -81.9 127.0 13.8 29.7 18.8 18 18 A V E -L 30 0B 10 -7,-2.6 2,-0.5 -2,-0.5 -7,-0.4 -0.798 32.0-114.5-129.3 167.9 11.1 27.4 20.4 19 19 A R E -L 29 0B 72 10,-2.3 2,-0.8 -2,-0.3 10,-0.5 -0.905 20.4-157.5 -99.3 123.7 9.5 26.3 23.7 20 20 A L E -L 28 0B 68 -2,-0.5 2,-0.2 8,-0.1 8,-0.1 -0.760 11.2-152.4-104.0 85.3 10.1 22.7 24.7 21 21 A V - 0 0 50 -2,-0.8 3,-0.2 6,-0.5 6,-0.1 -0.392 62.8 -35.1 -53.1 117.2 7.2 21.8 27.1 22 22 A H S S- 0 0 152 -2,-0.2 2,-1.8 1,-0.2 5,-0.1 0.050 111.5 -39.6 54.7-171.3 8.6 19.1 29.4 23 23 A G S S+ 0 0 60 145,-0.1 2,-0.3 144,-0.1 -1,-0.2 -0.614 110.9 114.7 -78.7 77.7 11.1 16.4 28.1 24 24 A E - 0 0 98 -2,-1.8 2,-0.4 -3,-0.2 3,-0.1 -0.920 59.2-131.8-150.2 160.2 9.1 16.3 24.8 25 25 A S S S+ 0 0 62 -2,-0.3 -5,-0.1 1,-0.1 -2,-0.0 -0.965 82.5 24.2-122.4 140.9 9.0 16.9 21.0 26 26 A G S S+ 0 0 59 -2,-0.4 -1,-0.1 3,-0.0 -6,-0.1 0.492 85.6 103.7 89.0 5.0 6.4 18.7 18.9 27 27 A T + 0 0 41 -6,-0.1 2,-0.6 -5,-0.1 -6,-0.5 -0.063 55.3 148.4 -97.9 27.5 5.0 20.8 21.7 28 28 A E E -L 20 0B 55 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.1 -0.577 34.8-170.4 -84.9 113.0 6.9 23.7 20.2 29 29 A T E -L 19 0B 74 -2,-0.6 -10,-2.3 -10,-0.5 2,-0.5 -0.813 29.7-128.2 -84.1 137.9 5.7 27.3 20.4 30 30 A S E -L 18 0B 52 -2,-0.4 -12,-0.3 -12,-0.2 3,-0.1 -0.802 22.6-171.8 -96.6 131.1 8.0 29.4 18.2 31 31 A Y - 0 0 67 -14,-4.6 2,-0.2 -2,-0.5 -13,-0.2 0.097 44.3-117.2-105.9 20.8 9.6 32.6 19.6 32 32 A G S S+ 0 0 36 -15,-0.4 -15,-3.2 4,-0.0 -1,-0.4 -0.514 73.8 17.5 83.3-148.7 11.0 33.8 16.2 33 33 A S > - 0 0 54 -17,-0.2 4,-1.6 -2,-0.2 -17,-0.1 -0.347 53.1-153.5 -62.9 128.3 14.7 34.2 15.3 34 34 A P H > S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.847 98.2 53.9 -65.4 -37.2 17.3 32.5 17.5 35 35 A L H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.917 109.9 45.8 -64.2 -42.9 19.9 35.1 16.6 36 36 A E H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.875 112.4 52.2 -66.6 -37.1 17.6 38.0 17.7 37 37 A A H X S+ 0 0 12 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.922 111.2 45.9 -62.3 -46.6 16.7 36.1 20.9 38 38 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.839 111.6 51.7 -66.4 -37.6 20.4 35.6 21.8 39 39 A L H X S+ 0 0 40 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.840 107.8 53.8 -67.9 -37.4 21.2 39.2 21.0 40 40 A A H X S+ 0 0 28 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.879 110.1 46.6 -58.1 -45.4 18.3 40.3 23.3 41 41 A W H <>S+ 0 0 28 -4,-1.8 5,-1.8 2,-0.2 -2,-0.2 0.954 115.3 45.5 -65.8 -49.2 19.8 38.2 26.2 42 42 A Q H ><5S+ 0 0 37 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.928 110.9 53.0 -55.6 -50.6 23.3 39.6 25.6 43 43 A R H 3<5S+ 0 0 173 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.854 105.8 55.6 -54.8 -36.3 22.0 43.2 25.3 44 44 A S T 3<5S- 0 0 35 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.345 129.3 -96.2 -83.7 4.5 20.2 42.7 28.6 45 45 A G T < 5 + 0 0 42 -3,-2.3 -3,-0.2 1,-0.2 2,-0.2 0.770 60.5 169.4 91.2 29.3 23.5 41.7 30.3 46 46 A A < - 0 0 5 -5,-1.8 -1,-0.2 1,-0.1 -39,-0.1 -0.496 24.5-160.1 -67.5 141.8 23.5 38.0 30.2 47 47 A E S S+ 0 0 43 -41,-0.4 30,-1.7 -2,-0.2 2,-0.3 0.706 75.9 33.3 -87.9 -28.2 26.9 36.4 31.1 48 48 A W E - d 0 77A 7 -42,-0.7 2,-0.4 28,-0.2 30,-0.2 -0.898 59.0-157.6-130.5 153.2 25.9 33.1 29.4 49 49 A L E - d 0 78A 0 28,-1.6 30,-3.0 -2,-0.3 2,-0.8 -0.989 9.8-156.0-128.7 123.5 24.0 31.8 26.5 50 50 A H E -bd 9 79A 12 -42,-2.9 -40,-3.1 -2,-0.4 2,-0.5 -0.902 20.7-169.8 -96.9 108.1 22.7 28.2 26.6 51 51 A L E -bd 10 80A 0 28,-3.3 30,-2.1 -2,-0.8 2,-0.4 -0.903 3.3-171.8-111.4 124.2 22.3 27.4 22.9 52 52 A V E -bd 11 81A 12 -42,-3.1 -40,-4.0 -2,-0.5 2,-1.0 -0.937 24.6-151.0-128.3 131.2 20.6 24.1 21.8 53 53 A D E > +b 12 0A 9 28,-2.2 4,-1.9 -2,-0.4 -40,-0.1 -0.798 17.5 178.5 -93.7 96.1 20.0 22.2 18.5 54 54 A L H > S+ 0 0 6 -42,-2.3 4,-3.1 -2,-1.0 6,-0.2 0.859 78.2 58.2 -68.8 -33.9 16.7 20.4 19.2 55 55 A D H >>S+ 0 0 15 -43,-0.9 5,-2.4 2,-0.2 4,-1.1 0.926 109.9 42.7 -60.2 -44.3 16.7 18.9 15.6 56 56 A A H 45S+ 0 0 14 2,-0.2 3,-0.2 3,-0.2 -1,-0.2 0.888 114.4 52.5 -67.9 -38.6 20.1 17.2 16.2 57 57 A A H <5S+ 0 0 7 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 118.0 36.2 -62.4 -43.8 18.9 16.2 19.7 58 58 A F H <5S- 0 0 38 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.492 110.7-117.0 -92.1 -3.0 15.7 14.6 18.3 59 59 A G T <5S+ 0 0 32 -4,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.813 79.8 120.3 71.4 31.8 17.2 13.2 15.1 60 60 A T S + 0 0 17 -2,-0.3 4,-2.9 -51,-0.1 5,-0.3 -0.295 49.9 140.2-127.5 43.9 20.7 23.7 12.6 64 64 A R H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.865 71.6 43.3 -62.0 -41.9 24.5 23.5 12.7 65 65 A A H > S+ 0 0 81 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.846 115.9 48.9 -73.4 -34.7 25.2 26.5 10.5 66 66 A L H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.931 111.4 48.8 -64.3 -47.3 22.5 28.7 12.2 67 67 A I H X S+ 0 0 11 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.862 110.9 52.7 -58.4 -39.8 23.9 27.7 15.7 68 68 A A H X S+ 0 0 40 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.853 108.3 49.6 -66.2 -37.8 27.3 28.6 14.4 69 69 A E H X S+ 0 0 118 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.911 112.3 47.0 -68.5 -44.8 26.1 32.0 13.2 70 70 A V H >X S+ 0 0 2 -4,-2.7 3,-0.7 2,-0.2 4,-0.6 0.972 111.6 51.3 -58.9 -52.9 24.5 32.7 16.6 71 71 A A H >< S+ 0 0 9 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.888 107.8 52.8 -49.8 -43.6 27.6 31.6 18.5 72 72 A Q H 3< S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.830 104.4 56.7 -63.7 -32.0 29.8 33.9 16.3 73 73 A A H << S+ 0 0 30 -4,-1.4 2,-0.4 -3,-0.7 -1,-0.2 0.572 90.2 95.1 -75.2 -10.3 27.5 36.9 17.2 74 74 A M << - 0 0 17 -3,-1.1 4,-0.1 -4,-0.6 -35,-0.1 -0.711 46.6-175.6 -91.2 131.9 28.1 36.5 21.0 75 75 A D S S+ 0 0 150 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.319 72.4 72.6 -93.0 -0.6 30.7 38.4 23.0 76 76 A I S S- 0 0 44 1,-0.1 -28,-0.2 -28,-0.0 2,-0.1 -0.491 99.0 -67.1-111.1 177.1 29.7 36.3 26.0 77 77 A K E -d 48 0A 83 -30,-1.7 -28,-1.6 -2,-0.2 2,-0.4 -0.407 48.5-157.8 -69.6 139.0 30.1 32.7 27.2 78 78 A V E -d 49 0A 6 -30,-0.2 21,-1.7 19,-0.2 22,-1.6 -0.975 12.4-165.8-126.9 130.3 28.3 30.1 25.2 79 79 A E E -de 50 100A 0 -30,-3.0 -28,-3.3 -2,-0.4 2,-0.4 -0.982 17.6-159.6-112.3 124.0 27.3 26.6 26.3 80 80 A L E +de 51 101A 6 20,-2.3 22,-2.0 -2,-0.5 2,-0.3 -0.843 17.0 162.4-112.1 142.8 26.3 24.5 23.3 81 81 A S E +de 52 102A 31 -30,-2.1 -28,-2.2 -2,-0.4 -24,-0.1 -0.967 19.0 94.5-148.4 156.3 24.1 21.3 23.4 82 82 A G S S- 0 0 10 20,-0.6 -26,-0.1 -2,-0.3 3,-0.1 0.600 91.1 -7.3 123.3 102.5 22.1 19.1 21.1 83 83 A G S S+ 0 0 14 1,-0.2 2,-1.5 -27,-0.2 3,-0.2 0.607 73.0 155.3 70.0 14.9 22.9 15.9 19.3 84 84 A I + 0 0 12 18,-0.3 20,-0.3 1,-0.2 22,-0.3 -0.592 18.6 133.2 -78.3 93.2 26.6 16.1 20.2 85 85 A R + 0 0 62 -2,-1.5 2,-0.3 -3,-0.1 -1,-0.2 0.352 55.1 29.2-130.1 -0.0 27.3 12.4 19.9 86 86 A D S > S- 0 0 76 -3,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.919 85.3 -88.3-154.5 177.8 30.5 11.9 17.8 87 87 A D H > S+ 0 0 81 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.884 119.7 48.5 -60.3 -41.5 33.9 13.4 16.8 88 88 A D H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 114.7 43.6 -71.9 -42.0 32.6 15.4 13.9 89 89 A T H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 116.2 49.5 -65.4 -42.4 29.7 17.0 15.7 90 90 A L H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.926 109.6 51.6 -59.5 -43.6 31.9 17.6 18.7 91 91 A A H X S+ 0 0 58 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.908 111.2 46.4 -62.0 -43.7 34.6 19.2 16.4 92 92 A A H X S+ 0 0 39 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.910 112.6 50.9 -65.8 -44.3 32.2 21.6 14.8 93 93 A A H ><>S+ 0 0 12 -4,-2.2 3,-1.4 1,-0.2 5,-0.7 0.951 111.7 45.7 -57.4 -52.0 30.7 22.5 18.2 94 94 A L H ><5S+ 0 0 26 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.849 103.7 65.0 -62.2 -33.7 34.1 23.3 19.7 95 95 A A H 3<5S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.656 84.1 74.0 -62.6 -19.0 35.1 25.3 16.6 96 96 A T T <<5S- 0 0 37 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.658 112.2-120.2 -61.6 -15.6 32.3 27.8 17.4 97 97 A G T < 5 + 0 0 59 -3,-1.9 -19,-0.2 -4,-0.2 -2,-0.1 0.598 55.3 167.7 80.3 13.6 34.8 28.9 20.1 98 98 A C < - 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k 0 187A 1 -5,-1.7 -1,-0.3 -24,-0.2 -22,-0.2 -0.816 23.1-179.8 -84.4 124.6 24.8 24.2 42.5 211 217 A E E - 0 0 41 -24,-2.5 -206,-2.6 -2,-0.6 2,-0.3 0.775 54.3 -17.9 -99.4 -33.2 26.7 26.6 40.2 212 218 A G E -ak 5 188A 0 -25,-0.9 -23,-3.3 -208,-0.2 2,-0.4 -0.968 51.5-122.0-165.6 177.1 24.0 27.9 37.9 213 219 A A E -ak 6 189A 0 -208,-2.4 -206,-2.5 -2,-0.3 2,-0.5 -0.996 16.5-138.4-139.8 127.6 20.6 27.6 36.4 214 220 A I E -ak 7 190A 8 -25,-3.4 -23,-1.1 -2,-0.4 2,-0.5 -0.738 25.6-167.3 -84.0 127.4 19.5 27.4 32.8 215 221 A V E +a 8 0A 1 -208,-1.7 -206,-3.0 -2,-0.5 -165,-0.2 -0.974 26.6 134.6-124.1 128.7 16.4 29.6 32.2 216 222 A G >> + 0 0 20 -2,-0.5 4,-1.5 -23,-0.2 3,-1.2 0.432 62.0 45.7-128.1 -85.7 14.2 29.5 29.1 217 223 A K H 3> S+ 0 0 83 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.771 111.0 53.3 -38.2 -50.3 10.4 29.4 29.2 218 224 A A H 34>S+ 0 0 0 -25,-0.6 5,-2.8 1,-0.2 6,-0.6 0.853 107.3 49.8 -60.9 -42.1 10.1 32.2 31.8 219 225 A L H X45S+ 0 0 8 -3,-1.2 3,-0.6 3,-0.2 -1,-0.2 0.887 113.9 46.2 -66.1 -40.5 12.2 34.8 29.9 220 226 A Y H 3<5S+ 0 0 38 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.843 114.2 46.5 -69.0 -36.9 10.3 34.2 26.6 221 227 A A T 3<5S- 0 0 57 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.373 113.8-118.2 -87.0 3.6 6.9 34.4 28.3 222 228 A K T < 5 + 0 0 185 -3,-0.6 -3,-0.2 -4,-0.3 3,-0.1 0.901 63.7 147.3 55.1 47.0 7.9 37.6 30.2 223 229 A A S - 0 0 62 -2,-0.3 4,-1.4 -3,-0.1 5,-0.1 -0.506 31.0-118.4 -81.9 164.8 13.0 40.5 32.8 226 232 A L H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.851 116.5 56.9 -70.5 -35.2 16.6 39.2 32.6 227 233 A E H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 106.6 49.2 -60.3 -44.1 17.8 42.3 34.5 228 234 A E H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.850 111.1 50.6 -60.6 -39.0 15.4 41.2 37.3 229 235 A A H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.931 107.6 51.8 -66.1 -48.0 16.8 37.7 37.1 230 236 A L H < S+ 0 0 44 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.843 111.0 49.5 -56.4 -37.7 20.4 39.0 37.3 231 237 A E H >< S+ 0 0 146 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.948 110.2 49.9 -60.8 -52.4 19.4 41.0 40.5 232 238 A A H 3< S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.617 103.9 57.7 -66.6 -19.8 17.8 38.0 42.2 233 239 A T T 3< 0 0 4 -4,-1.2 -229,-2.2 -3,-0.2 -1,-0.2 0.444 360.0 360.0 -97.6 -1.8 20.7 35.6 41.7 234 240 A S < 0 0 91 -3,-1.3 -231,-0.1 -4,-0.3 -3,-0.1 -0.399 360.0 360.0 132.0 360.0 23.1 37.9 43.6