==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-FEB-11 2Y85 . COMPND 2 MOLECULE: PHOSPHORIBOSYL ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.KUPER,A.GEERLOF,M.WILMANNS . 937 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 164 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 66 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 248 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.7 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 7 1 0 4 10 2 11 5 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 8 16 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 PARALLEL BRIDGES PER LADDER . 3 7 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 4 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 M 0 0 182 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 137.0 -18.4 -37.4 43.0 2 3 A P - 0 0 43 0, 0.0 233,-0.1 0, 0.0 232,-0.1 -0.451 360.0 -84.6 -72.4 147.2 -16.2 -35.9 45.8 3 4 A L - 0 0 1 231,-0.5 2,-0.4 -2,-0.1 210,-0.3 -0.090 46.9-124.4 -46.0 138.5 -13.9 -33.0 45.3 4 5 A I E -a 213 0A 16 208,-2.3 210,-2.7 -3,-0.1 2,-0.5 -0.756 17.5-149.0 -92.9 138.3 -10.5 -34.1 43.9 5 6 A L E -a 214 0A 5 -2,-0.4 34,-0.8 208,-0.2 33,-0.6 -0.929 9.8-170.0-107.0 133.0 -7.4 -33.1 45.8 6 7 A L E -a 215 0A 1 208,-1.9 210,-2.1 -2,-0.5 34,-0.2 -0.928 14.7-146.7-120.8 99.1 -4.1 -32.6 43.9 7 8 A P E -a 216 0A 1 0, 0.0 34,-3.0 0, 0.0 2,-0.4 -0.503 21.3-130.2 -62.6 140.9 -1.1 -32.2 46.1 8 9 A A E -b 41 0A 10 208,-1.7 2,-0.5 32,-0.2 34,-0.2 -0.794 22.3-173.4-102.8 130.5 1.4 -29.8 44.5 9 10 A V E -b 42 0A 0 32,-2.9 34,-2.9 -2,-0.4 2,-0.5 -0.966 11.9-165.2-121.1 108.5 5.1 -30.5 44.0 10 11 A D E -b 43 0A 54 -2,-0.5 7,-2.7 7,-0.4 2,-0.4 -0.871 7.5-152.0 -99.4 124.2 6.9 -27.4 42.8 11 12 A V E +bC 44 16A 0 32,-3.8 34,-2.1 -2,-0.5 35,-0.8 -0.817 20.1 168.2-105.7 134.4 10.4 -27.9 41.4 12 13 A V E > S- C 0 15A 6 3,-2.4 3,-1.9 -2,-0.4 32,-0.0 -0.985 74.7 -10.2-141.8 125.6 13.2 -25.3 41.4 13 14 A E T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 41,-0.1 0.718 128.1 -56.8 58.1 23.9 16.8 -26.2 40.6 14 15 A G T 3 S+ 0 0 29 1,-0.3 11,-0.3 10,-0.0 2,-0.3 0.599 119.8 95.5 83.1 13.6 16.0 -29.9 40.6 15 16 A R E < S-C 12 0A 123 -3,-1.9 -3,-2.4 9,-0.1 2,-0.4 -0.971 79.4-108.9-131.9 147.9 14.6 -29.9 44.2 16 17 A A E -CD 11 23A 2 7,-3.3 7,-1.0 -2,-0.3 2,-0.5 -0.628 32.1-142.3 -75.8 129.5 11.1 -29.6 45.6 17 18 A V E D 0 22A 26 -7,-2.7 -7,-0.4 -2,-0.4 5,-0.2 -0.864 360.0 360.0-103.9 125.8 10.5 -26.3 47.3 18 19 A R 0 0 127 3,-2.8 3,-0.6 -2,-0.5 -1,-0.1 -0.154 360.0 360.0-145.4 360.0 8.3 -26.3 50.4 19 ! 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 20 29 A T 0 0 101 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 107.9 12.1 -22.0 52.3 21 30 A E - 0 0 39 -3,-0.6 -3,-2.8 2,-0.0 2,-0.3 -0.870 360.0-156.4-115.4 152.8 13.2 -25.6 52.5 22 31 A Y E +D 17 0A 67 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.872 22.1 139.2-126.6 157.1 14.2 -28.0 49.7 23 32 A G E -D 16 0A 27 -7,-1.0 -7,-3.3 -2,-0.3 2,-0.1 -0.973 53.4 -35.1-177.3-174.7 14.3 -31.7 49.2 24 33 A S > - 0 0 60 -2,-0.3 4,-1.8 -9,-0.2 -9,-0.1 -0.366 36.3-159.5 -67.9 130.7 13.7 -34.6 46.8 25 34 A A H > S+ 0 0 3 -11,-0.3 4,-2.1 2,-0.2 5,-0.2 0.801 92.7 55.0 -77.8 -35.3 10.9 -34.1 44.4 26 35 A V H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.956 110.8 45.4 -56.8 -54.6 10.5 -37.9 43.7 27 36 A D H > S+ 0 0 105 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.903 110.7 52.8 -59.9 -46.8 10.2 -38.6 47.4 28 37 A A H X S+ 0 0 21 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.934 114.2 42.1 -56.8 -49.1 7.7 -35.7 48.0 29 38 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.870 114.8 50.4 -65.1 -41.9 5.4 -37.0 45.2 30 39 A L H X S+ 0 0 59 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.878 108.7 53.3 -62.8 -40.4 5.8 -40.7 46.2 31 40 A G H X S+ 0 0 8 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.888 109.2 48.3 -61.0 -41.4 4.9 -39.7 49.8 32 41 A W H <>S+ 0 0 29 -4,-1.7 5,-1.6 2,-0.2 4,-0.3 0.905 111.4 48.8 -66.8 -43.6 1.7 -38.0 48.6 33 42 A Q H ><5S+ 0 0 40 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.867 110.7 52.6 -59.1 -40.7 0.8 -41.0 46.5 34 43 A R H 3<5S+ 0 0 189 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.889 105.2 53.4 -61.5 -41.6 1.5 -43.1 49.6 35 44 A D T 3<5S- 0 0 65 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.506 133.4 -95.5 -75.2 -5.8 -0.9 -40.9 51.6 36 45 A G T < 5 - 0 0 41 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.2 0.763 55.3-178.6 106.4 35.9 -3.4 -41.7 48.9 37 46 A A < - 0 0 5 -5,-1.6 -1,-0.2 1,-0.1 3,-0.1 -0.387 22.1-156.8 -69.3 134.3 -3.3 -38.8 46.3 38 47 A E S S+ 0 0 54 -33,-0.6 30,-0.9 1,-0.2 2,-0.3 0.805 81.6 1.9 -73.3 -35.6 -5.7 -39.1 43.4 39 48 A W E - e 0 68A 30 -34,-0.8 2,-0.4 28,-0.1 30,-0.2 -0.950 64.2-137.7-141.8 159.9 -3.4 -36.8 41.4 40 49 A I E - e 0 69A 0 28,-1.8 30,-2.6 -2,-0.3 2,-0.8 -0.998 12.0-148.0-118.4 132.1 -0.1 -35.0 41.7 41 50 A H E -be 8 70A 8 -34,-3.0 -32,-2.9 -2,-0.4 2,-0.5 -0.892 21.8-167.3 -92.0 106.7 0.3 -31.5 40.4 42 51 A L E -be 9 71A 0 28,-2.8 30,-2.1 -2,-0.8 2,-0.4 -0.897 4.0-168.3-107.0 125.8 3.9 -31.3 39.3 43 52 A V E -be 10 72A 13 -34,-2.9 -32,-3.8 -2,-0.5 2,-1.1 -0.945 24.1-156.8-126.8 125.5 5.4 -27.9 38.5 44 53 A D E > +b 11 0A 9 28,-2.2 4,-2.0 -2,-0.4 -32,-0.1 -0.811 18.2 178.8 -92.2 91.8 8.6 -26.7 36.8 45 54 A L H > S+ 0 0 28 -34,-2.1 4,-2.1 -2,-1.1 6,-0.3 0.899 79.0 57.0 -63.0 -39.1 8.9 -23.3 38.4 46 55 A D H 4>S+ 0 0 3 -35,-0.8 5,-1.8 1,-0.2 6,-1.3 0.916 109.3 45.2 -58.2 -45.9 12.1 -22.6 36.5 47 56 A A H >45S+ 0 0 24 3,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.853 108.8 57.0 -66.5 -35.8 10.4 -23.2 33.2 48 57 A A H 3<5S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.887 112.7 39.9 -63.7 -39.4 7.4 -21.1 34.3 49 58 A F T 3<5S- 0 0 12 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.425 110.8-123.2 -85.7 -2.8 9.6 -18.1 34.9 50 59 A G T < 5S+ 0 0 36 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.589 83.1 114.3 71.3 13.3 11.6 -18.9 31.8 51 60 A R S + 0 0 17 -2,-0.3 4,-2.8 2,-0.1 5,-0.2 -0.040 40.4 129.2-138.3 30.0 13.7 -29.6 35.0 55 64 A H H > S+ 0 0 72 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.937 73.2 50.9 -51.8 -56.9 12.2 -31.8 32.3 56 65 A E H > S+ 0 0 172 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.896 115.0 44.2 -54.0 -42.8 14.5 -34.8 32.8 57 66 A L H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.900 113.3 50.6 -67.1 -42.6 13.8 -34.7 36.5 58 67 A L H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.915 107.9 53.6 -63.9 -38.9 10.0 -34.2 35.9 59 68 A A H X S+ 0 0 33 -4,-3.7 4,-2.4 2,-0.2 -1,-0.2 0.888 107.7 51.6 -61.6 -39.6 10.1 -37.2 33.5 60 69 A E H X S+ 0 0 82 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.980 108.5 50.6 -56.6 -55.1 11.6 -39.3 36.2 61 70 A V H X S+ 0 0 2 -4,-2.3 4,-1.1 1,-0.2 3,-0.3 0.887 112.5 45.8 -53.1 -46.3 8.9 -38.3 38.7 62 71 A V H >< S+ 0 0 14 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.952 110.8 52.9 -62.1 -51.3 6.1 -39.2 36.3 63 72 A G H 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.745 110.4 49.2 -55.9 -26.7 7.7 -42.6 35.3 64 73 A K H 3< S+ 0 0 107 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.675 98.4 79.4 -89.7 -21.3 8.0 -43.5 39.0 65 74 A L << - 0 0 16 -4,-1.1 4,-0.1 -3,-0.9 -35,-0.1 -0.521 56.0-161.4 -86.8 154.9 4.4 -42.8 40.1 66 75 A D + 0 0 146 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.717 68.1 84.4 -97.1 -32.6 1.3 -44.9 39.6 67 76 A V S S- 0 0 38 1,-0.1 -28,-0.1 -28,-0.0 2,-0.1 -0.188 94.2 -79.5 -75.0 163.7 -1.2 -42.1 40.1 68 77 A Q E -e 39 0A 102 -30,-0.9 -28,-1.8 -31,-0.1 2,-0.5 -0.377 47.3-155.0 -58.6 130.8 -2.5 -39.5 37.6 69 78 A V E -e 40 0A 4 -30,-0.2 22,-2.2 19,-0.1 21,-0.6 -0.964 12.2-160.1-117.2 127.3 -0.1 -36.6 37.1 70 79 A E E -ef 41 91A 0 -30,-2.6 -28,-2.8 -2,-0.5 2,-0.3 -0.930 19.9-153.0 -94.5 117.8 -1.0 -33.1 35.9 71 80 A L E +ef 42 92A 7 20,-2.9 22,-2.6 -2,-0.6 2,-0.3 -0.731 20.6 169.4 -94.7 145.1 2.2 -31.5 34.6 72 81 A S E +ef 43 93A 17 -30,-2.1 -28,-2.2 -2,-0.3 -24,-0.1 -0.992 20.5 90.2-153.9 153.2 2.6 -27.7 34.7 73 82 A G S S- 0 0 14 20,-0.6 3,-0.1 -2,-0.3 -25,-0.1 0.464 92.8 -5.3 122.1 104.8 5.1 -25.0 34.1 74 83 A G S S+ 0 0 25 1,-0.2 2,-1.1 -26,-0.1 3,-0.2 0.687 73.3 156.4 66.7 22.4 6.1 -23.0 31.0 75 84 A I + 0 0 7 18,-0.4 20,-1.5 1,-0.2 23,-0.3 -0.700 23.4 124.3 -85.2 102.1 3.9 -25.0 28.8 76 85 A R + 0 0 104 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.433 59.5 19.5-144.7 -13.2 3.5 -22.4 26.1 77 86 A D S > S- 0 0 48 -3,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.898 88.7 -74.2-159.7 179.0 4.6 -23.7 22.7 78 87 A D H > S+ 0 0 83 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.893 125.5 43.1 -52.4 -48.6 5.3 -26.8 20.5 79 88 A E H > S+ 0 0 159 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 115.9 46.2 -70.2 -45.3 8.6 -27.7 22.1 80 89 A S H > S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.836 116.2 46.4 -67.4 -35.0 7.4 -27.2 25.7 81 90 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.835 110.0 54.5 -75.5 -36.3 4.2 -29.1 25.0 82 91 A A H X S+ 0 0 58 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.908 109.8 45.7 -59.3 -46.8 6.1 -31.9 23.3 83 92 A A H < S+ 0 0 31 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.859 113.3 50.8 -71.1 -32.9 8.4 -32.5 26.3 84 93 A A H ><>S+ 0 0 4 -4,-1.2 3,-1.3 2,-0.2 5,-0.6 0.951 113.3 42.6 -68.2 -51.0 5.5 -32.4 28.7 85 94 A L H ><5S+ 0 0 36 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.870 106.5 65.6 -62.9 -34.1 3.3 -34.9 26.9 86 95 A A T 3<5S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.591 87.0 69.3 -66.8 -14.0 6.5 -37.0 26.3 87 96 A T T < 5S- 0 0 16 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.652 109.2-122.0 -72.2 -19.8 6.7 -37.6 30.1 88 97 A G T < 5 + 0 0 63 -3,-1.9 -19,-0.1 -4,-0.3 -2,-0.1 0.498 55.4 159.0 85.9 4.5 3.6 -39.8 29.8 89 98 A C < - 0 0 5 -5,-0.6 -1,-0.2 1,-0.1 -19,-0.1 -0.216 48.4-125.5 -50.1 146.0 1.7 -37.6 32.4 90 99 A A S S+ 0 0 24 -21,-0.6 2,-0.3 1,-0.2 -20,-0.2 0.907 88.1 13.7 -61.2 -43.1 -2.1 -37.9 32.2 91 100 A R E -f 70 0A 8 -22,-2.2 -20,-2.9 -7,-0.0 2,-0.4 -0.965 61.0-151.7-140.5 147.2 -2.6 -34.2 31.8 92 101 A V E -fg 71 116A 0 23,-2.8 25,-2.4 -2,-0.3 2,-0.7 -0.946 16.6-139.0-118.1 148.2 -0.6 -31.0 31.0 93 102 A N E -fg 72 117A 5 -22,-2.6 -20,-0.6 -2,-0.4 2,-0.5 -0.917 14.0-147.6-111.7 108.9 -1.6 -27.6 32.2 94 103 A V E - g 0 118A 1 23,-3.6 25,-3.7 -2,-0.7 -18,-0.2 -0.736 25.8-124.4 -81.4 123.8 -1.1 -25.0 29.5 95 104 A G > - 0 0 23 -20,-1.5 3,-2.2 -2,-0.5 4,-0.3 -0.223 15.1-111.2 -73.4 155.6 -0.1 -21.7 31.2 96 105 A T G > S+ 0 0 3 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.813 115.4 69.1 -46.5 -38.5 -1.7 -18.3 30.9 97 106 A A G > S+ 0 0 14 1,-0.3 3,-1.4 37,-0.2 -1,-0.3 0.735 85.4 69.1 -58.2 -25.4 1.4 -17.2 29.0 98 107 A A G X S+ 0 0 2 -3,-2.2 3,-2.1 -23,-0.3 7,-0.3 0.735 80.1 77.1 -63.3 -25.1 0.3 -19.4 26.1 99 108 A L G < S+ 0 0 12 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.597 71.0 81.7 -67.4 -12.3 -2.7 -17.1 25.5 100 109 A E G < S+ 0 0 41 -3,-1.4 -1,-0.3 1,-0.3 599,-0.2 0.789 99.1 43.2 -57.0 -29.7 -0.2 -14.7 23.8 101 110 A N S <> S+ 0 0 53 -3,-2.1 4,-1.5 -4,-0.2 3,-0.4 -0.793 76.3 178.9-116.2 88.2 -0.8 -17.0 20.9 102 111 A P H > S+ 0 0 12 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.768 78.6 50.0 -62.3 -30.0 -4.6 -17.6 20.9 103 112 A Q H > S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.817 103.9 58.5 -82.1 -30.7 -4.7 -19.8 17.8 104 113 A W H > S+ 0 0 16 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.932 107.6 49.5 -54.6 -47.6 -1.9 -22.1 19.1 105 114 A C H X S+ 0 0 2 -4,-1.5 4,-1.0 -7,-0.3 -2,-0.2 0.860 112.6 45.4 -60.0 -43.2 -4.2 -22.7 22.1 106 115 A A H X S+ 0 0 6 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.878 114.0 50.1 -67.9 -40.0 -7.2 -23.5 19.9 107 116 A R H X S+ 0 0 59 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.894 112.0 45.3 -66.6 -44.7 -5.1 -25.7 17.7 108 117 A V H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.670 107.5 60.0 -75.0 -21.3 -3.6 -27.7 20.6 109 118 A I H X S+ 0 0 4 -4,-1.0 4,-1.6 -5,-0.2 -1,-0.2 0.853 109.1 43.0 -71.9 -39.1 -7.0 -28.1 22.2 110 119 A G H < S+ 0 0 10 -4,-1.5 623,-0.4 2,-0.2 -2,-0.2 0.915 117.6 46.8 -69.5 -44.3 -8.3 -29.9 19.1 111 120 A E H < S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.929 127.9 22.0 -64.6 -48.4 -5.2 -32.0 18.8 112 121 A H H >< S+ 0 0 62 -4,-2.3 3,-1.8 1,-0.2 -3,-0.2 0.672 79.1 174.9-104.8 -17.8 -4.9 -33.1 22.4 113 122 A G G >< S+ 0 0 24 -4,-1.6 3,-1.5 -5,-0.3 43,-0.4 -0.273 73.6 13.5 58.8-116.7 -8.4 -32.7 23.9 114 123 A D G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.726 117.6 71.4 -69.1 -23.7 -8.6 -34.0 27.5 115 124 A Q G < S+ 0 0 86 -3,-1.8 -23,-2.8 -24,-0.1 2,-0.5 0.642 93.6 70.6 -64.3 -13.2 -4.8 -34.1 27.8 116 125 A V E < +g 92 0A 2 -3,-1.5 40,-0.5 -25,-0.2 2,-0.3 -0.916 55.3 176.9-114.9 129.3 -4.8 -30.3 27.9 117 126 A A E -g 93 0A 0 -25,-2.4 -23,-3.6 -2,-0.5 2,-0.5 -0.922 24.8-133.3-114.8 150.9 -6.0 -27.9 30.6 118 127 A V E -gh 94 158A 2 39,-1.9 41,-2.4 -2,-0.3 2,-0.4 -0.932 15.0-136.0-110.0 125.2 -5.7 -24.2 30.4 119 128 A G E - 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