==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-JUN-11 3SDW . COMPND 2 MOLECULE: RIBOSE 5-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COCCIDIOIDES IMMITIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 3 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 6 A L 0 0 130 0, 0.0 130,-0.0 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 137.7 23.2 -5.2 11.7 2 7 A P - 0 0 89 0, 0.0 30,-0.1 0, 0.0 2,-0.1 -0.386 360.0-104.4 -69.1 148.9 25.8 -4.9 8.9 3 8 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 28,-0.3 -0.359 33.3-135.5 -71.1 155.4 28.5 -2.3 9.4 4 9 A L E -a 31 0A 21 26,-2.8 28,-1.9 -2,-0.1 29,-0.7 -0.881 9.6-122.5-114.6 146.1 28.4 1.0 7.4 5 10 A R E -a 33 0A 82 -2,-0.4 60,-2.4 27,-0.2 61,-1.7 -0.738 35.9-162.3 -81.0 129.5 31.1 3.0 5.5 6 11 A L E -ab 34 66A 3 27,-2.7 29,-2.9 -2,-0.4 2,-0.4 -0.900 17.0-156.8-117.1 144.1 31.4 6.5 6.9 7 12 A A E -ab 35 67A 0 59,-2.4 61,-2.6 -2,-0.4 2,-0.4 -0.853 15.3-161.5-104.0 149.1 32.8 9.7 5.6 8 13 A I E +ab 36 68A 4 27,-2.5 29,-2.5 -2,-0.4 30,-0.5 -0.993 13.3 170.2-131.6 144.8 33.8 12.3 8.2 9 14 A A E + b 0 69A 0 59,-1.8 61,-2.4 -2,-0.4 2,-0.3 -0.995 4.4 165.6-151.3 145.5 34.4 16.0 7.5 10 15 A C E - b 0 70A 0 28,-2.3 61,-0.2 -2,-0.3 2,-0.2 -0.986 25.9-131.0-149.7 164.0 35.0 19.2 9.4 11 16 A D > - 0 0 17 59,-1.4 3,-1.9 -2,-0.3 4,-0.2 -0.416 54.7 -79.0 -96.9-168.4 36.1 22.8 9.0 12 17 A D G > S+ 0 0 47 34,-0.4 3,-0.7 1,-0.3 4,-0.2 0.772 130.3 58.7 -63.5 -24.8 38.7 24.5 11.2 13 18 A A G 3 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.1 58,-0.2 0.536 109.1 44.0 -80.4 -7.9 36.0 25.1 13.9 14 19 A G G <> S+ 0 0 0 -3,-1.9 4,-2.4 56,-0.3 -1,-0.2 0.248 77.7 108.6-122.4 11.1 35.3 21.4 14.2 15 20 A V H <> S+ 0 0 17 -3,-0.7 4,-2.6 -4,-0.2 5,-0.2 0.932 78.9 45.3 -62.0 -53.1 38.8 19.7 14.3 16 21 A S H > S+ 0 0 72 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 116.2 46.1 -64.7 -37.4 39.1 18.6 17.9 17 22 A Y H > S+ 0 0 39 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.910 110.9 54.2 -67.9 -39.9 35.6 17.1 18.0 18 23 A K H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.925 109.6 47.2 -57.9 -47.3 36.2 15.4 14.6 19 24 A E H X S+ 0 0 79 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.908 113.9 47.2 -59.6 -43.4 39.3 13.7 16.0 20 25 A A H X S+ 0 0 34 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.903 114.0 47.4 -65.4 -41.3 37.5 12.6 19.2 21 26 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.914 110.9 51.3 -67.3 -41.9 34.6 11.3 17.2 22 27 A K H X S+ 0 0 55 -4,-2.9 4,-1.4 -5,-0.2 -2,-0.2 0.932 112.3 46.4 -61.3 -46.5 36.9 9.5 14.7 23 28 A A H < S+ 0 0 72 -4,-2.4 4,-0.5 1,-0.2 3,-0.3 0.912 112.7 51.1 -59.2 -45.7 38.7 7.8 17.7 24 29 A H H < S+ 0 0 76 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.860 115.8 40.5 -58.6 -39.1 35.4 6.9 19.3 25 30 A L H >< S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.580 95.2 78.0 -93.8 -11.4 34.0 5.3 16.1 26 31 A S T 3< S+ 0 0 87 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.699 98.4 45.7 -73.4 -15.3 37.1 3.5 15.0 27 32 A D T 3 S+ 0 0 93 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.441 88.8 110.8-101.1 1.5 36.5 0.8 17.6 28 33 A N X - 0 0 36 -3,-0.9 3,-1.9 1,-0.1 -3,-0.0 -0.623 61.3-148.4 -85.7 123.3 32.8 0.4 16.8 29 34 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.654 95.6 65.7 -66.9 -13.1 31.7 -2.8 15.1 30 35 A L T 3 S+ 0 0 32 -27,-0.1 -26,-2.8 1,-0.1 2,-0.5 0.414 90.8 76.8 -84.2 0.3 28.9 -1.0 13.2 31 36 A V E < -a 4 0A 20 -3,-1.9 -26,-0.2 -28,-0.3 3,-0.1 -0.956 53.9-179.5-114.4 117.6 31.5 1.0 11.3 32 37 A S E S- 0 0 65 -28,-1.9 2,-0.3 -2,-0.5 -27,-0.2 0.810 70.3 -14.4 -82.2 -35.7 33.4 -0.8 8.4 33 38 A S E -a 5 0A 53 -29,-0.7 -27,-2.7 2,-0.0 2,-0.4 -0.962 55.5-138.9-161.4 155.7 35.7 2.1 7.4 34 39 A I E -a 6 0A 39 -2,-0.3 2,-0.6 -29,-0.2 -27,-0.2 -0.995 10.0-162.4-124.8 121.9 36.1 5.9 7.9 35 40 A T E -a 7 0A 58 -29,-2.9 -27,-2.5 -2,-0.4 2,-0.7 -0.934 11.0-156.8-102.2 113.9 37.0 8.1 5.0 36 41 A D E -a 8 0A 42 -2,-0.6 -27,-0.2 -29,-0.2 3,-0.1 -0.824 15.0-178.2 -96.8 113.7 38.3 11.5 6.4 37 42 A V - 0 0 23 -29,-2.5 -28,-0.2 -2,-0.7 -1,-0.1 0.458 45.6-164.4 -88.1 0.9 37.9 14.3 3.8 38 43 A G - 0 0 7 -30,-0.5 -28,-2.3 1,-0.3 -1,-0.3 -0.399 69.8-160.4 90.8-173.0 39.5 16.8 6.2 39 44 A V - 0 0 5 -30,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.617 35.9-179.8 -71.7 163.9 40.3 19.3 7.3 40 45 A T + 0 0 104 1,-0.2 2,-0.3 -2,-0.1 -29,-0.1 0.336 62.2 38.4-113.1 4.3 43.1 17.8 9.4 41 46 A S S > S- 0 0 41 3,-0.1 3,-1.6 1,-0.0 -1,-0.2 -0.982 72.4-126.6-151.8 143.9 44.4 21.0 11.1 42 47 A T T 3 S+ 0 0 83 -2,-0.3 -30,-0.1 1,-0.2 -1,-0.0 0.667 109.0 69.6 -60.9 -15.8 43.0 24.1 12.6 43 48 A T T 3 S+ 0 0 112 2,-0.0 2,-0.8 1,-0.0 -1,-0.2 0.655 77.3 91.2 -75.9 -18.3 45.5 26.0 10.2 44 49 A D < - 0 0 61 -3,-1.6 -32,-0.3 1,-0.1 -3,-0.1 -0.731 55.4-175.4 -82.8 109.2 43.4 24.9 7.2 45 50 A K + 0 0 135 -2,-0.8 -1,-0.1 -34,-0.1 3,-0.1 0.196 25.6 148.4 -94.1 16.6 40.9 27.7 6.5 46 51 A T - 0 0 52 1,-0.1 -34,-0.4 2,-0.1 5,-0.1 -0.259 56.8-105.6 -53.0 130.9 39.1 25.9 3.7 47 52 A A >> - 0 0 65 1,-0.1 3,-1.1 -36,-0.1 4,-0.9 -0.322 25.5-116.8 -66.8 142.7 35.4 27.0 3.8 48 53 A Y H 3> S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.748 105.6 67.3 -52.6 -31.9 33.0 24.4 5.1 49 54 A P H 3> S+ 0 0 39 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.912 97.6 53.1 -62.9 -37.9 30.9 24.0 1.9 50 55 A H H <> S+ 0 0 117 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.906 112.9 43.1 -57.4 -47.4 33.8 22.4 0.0 51 56 A V H X S+ 0 0 3 -4,-0.9 4,-2.1 2,-0.2 5,-0.2 0.900 115.5 48.7 -68.7 -39.8 34.4 19.7 2.7 52 57 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 112.8 47.7 -64.0 -41.8 30.7 19.1 3.1 53 58 A I H X S+ 0 0 60 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.921 111.2 51.2 -67.0 -41.6 30.1 18.8 -0.7 54 59 A Q H X S+ 0 0 78 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.914 113.5 43.8 -59.9 -46.4 33.1 16.4 -1.0 55 60 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.905 114.3 50.0 -68.5 -39.0 31.8 14.1 1.8 56 61 A A H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.7 0.906 106.7 55.9 -64.9 -40.2 28.2 14.2 0.5 57 62 A Q H 3X S+ 0 0 77 -4,-2.7 4,-2.6 1,-0.2 6,-0.2 0.840 98.4 62.1 -61.5 -33.2 29.5 13.4 -3.1 58 63 A L H 3<>S+ 0 0 39 -4,-1.3 5,-2.4 2,-0.2 6,-1.5 0.850 107.0 45.2 -59.1 -35.0 31.1 10.2 -1.6 59 64 A I H X<5S+ 0 0 19 -4,-1.0 3,-1.9 -3,-0.7 -2,-0.2 0.958 112.7 49.0 -71.8 -52.0 27.6 9.1 -0.6 60 65 A K H 3<5S+ 0 0 80 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.864 111.9 51.0 -52.5 -39.3 26.0 10.0 -4.0 61 66 A D T 3<5S- 0 0 106 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.298 116.3-112.0 -89.3 9.6 28.8 8.2 -5.8 62 67 A G T < 5S+ 0 0 45 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.630 85.5 115.9 74.1 16.9 28.5 4.9 -3.8 63 68 A K S S+ 0 0 0 38,-0.4 4,-0.8 17,-0.1 39,-0.1 0.425 87.8 102.3 80.2 1.1 26.8 22.2 12.4 75 80 A L H > S+ 0 0 94 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.912 72.3 50.2 -83.7 -46.7 24.5 24.4 10.3 76 81 A G H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 110.8 49.8 -60.7 -45.9 26.7 25.4 7.3 77 82 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 111.5 49.7 -59.9 -40.2 27.7 21.8 6.6 78 83 A A H X S+ 0 0 7 -4,-0.8 4,-2.0 2,-0.2 11,-0.2 0.913 110.9 48.5 -64.6 -45.6 24.1 20.6 6.7 79 84 A I H X S+ 0 0 104 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.944 114.0 47.4 -55.7 -49.1 22.9 23.3 4.3 80 85 A S H >< S+ 0 0 13 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.901 110.0 50.7 -63.4 -46.1 25.8 22.5 1.9 81 86 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.859 103.0 60.8 -64.2 -36.7 25.2 18.7 1.9 82 87 A N H 3< S+ 0 0 72 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.681 92.4 67.3 -64.5 -16.3 21.5 19.2 1.2 83 88 A K T << S+ 0 0 168 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.715 80.9 93.2 -76.4 -16.6 22.4 20.9 -2.1 84 89 A V S X S- 0 0 7 -3,-1.5 3,-2.1 -4,-0.4 -3,-0.0 -0.632 92.7-103.7 -78.6 128.4 23.8 17.6 -3.4 85 90 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.223 102.2 7.0 -54.6 132.5 21.2 15.6 -5.4 86 91 A G T 3 S+ 0 0 31 1,-0.2 2,-0.4 -4,-0.1 -4,-0.1 0.406 101.5 119.9 76.8 0.7 19.7 12.7 -3.4 87 92 A I < - 0 0 5 -3,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.822 42.9-167.9-101.9 132.9 21.5 13.7 -0.2 88 93 A R - 0 0 25 -2,-0.4 21,-1.8 18,-0.2 20,-0.6 -0.988 11.0-176.8-124.9 124.1 19.6 14.5 2.9 89 94 A A E -d 109 0A 10 -2,-0.5 2,-0.3 -11,-0.2 21,-0.2 -0.925 5.3-174.3-128.5 140.6 21.4 16.2 5.8 90 95 A V E -d 110 0A 34 19,-2.0 21,-2.1 -2,-0.3 2,-0.5 -0.940 23.9-139.2-130.1 154.2 20.5 17.3 9.3 91 96 A T E +d 111 0A 48 -2,-0.3 2,-0.4 19,-0.2 21,-0.2 -0.976 37.8 171.0-103.0 126.3 21.9 19.1 12.3 92 97 A A + 0 0 5 19,-1.8 21,-0.1 -2,-0.5 -2,-0.1 -0.983 27.0 169.1-145.5 133.3 20.9 17.2 15.5 93 98 A H + 0 0 58 -2,-0.4 2,-0.3 19,-0.1 -1,-0.1 0.157 63.1 69.0-128.6 15.0 21.9 17.5 19.1 94 99 A D S > S- 0 0 71 1,-0.1 4,-2.1 31,-0.0 5,-0.2 -0.975 78.1-121.6-139.0 154.5 19.2 15.3 20.8 95 100 A T H > S+ 0 0 73 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.803 109.7 51.5 -65.1 -35.3 18.6 11.6 20.9 96 101 A F H > S+ 0 0 142 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.949 112.1 45.9 -67.6 -48.1 15.0 11.8 19.6 97 102 A S H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.868 109.8 54.3 -60.7 -39.8 16.0 13.9 16.5 98 103 A V H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.921 110.0 47.7 -64.9 -41.8 19.0 11.6 15.7 99 104 A E H >X S+ 0 0 57 -4,-1.8 4,-2.8 1,-0.2 3,-0.7 0.951 113.7 46.3 -59.3 -48.7 16.7 8.6 15.7 100 105 A R H 3X>S+ 0 0 71 -4,-2.4 4,-2.7 1,-0.2 5,-2.0 0.845 99.7 68.3 -68.9 -34.1 14.1 10.3 13.5 101 106 A A H 3<5S+ 0 0 2 -4,-2.6 6,-2.8 3,-0.2 -1,-0.2 0.884 116.0 28.7 -49.2 -40.8 16.8 11.6 11.1 102 107 A I H > -c 71 0A 0 -40,-0.5 4,-2.4 -2,-0.3 3,-1.5 -0.893 10.3-163.9-104.9 106.7 28.2 22.1 16.2 114 119 A Q T 34 S+ 0 0 39 -43,-2.5 -42,-0.2 -2,-0.7 -41,-0.2 0.846 90.9 53.5 -56.8 -36.6 31.4 21.9 18.2 115 120 A R T 34 S+ 0 0 189 -43,-2.3 -1,-0.3 -44,-0.4 -42,-0.1 0.599 118.5 33.4 -75.7 -10.8 30.8 25.4 19.6 116 121 A V T <4 S+ 0 0 96 -3,-1.5 2,-0.3 -44,-0.5 -2,-0.2 0.689 111.6 53.4-119.3 -25.3 27.2 24.5 20.9 117 122 A I S < S- 0 0 12 -4,-2.4 2,-0.2 2,-0.0 -1,-0.1 -0.777 78.7-115.5-111.8 156.4 27.2 20.8 21.9 118 123 A G > - 0 0 38 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.615 24.7-119.3 -90.1 154.2 29.5 18.9 24.4 119 124 A I H > S+ 0 0 44 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.815 108.9 51.7 -67.7 -34.9 31.8 16.1 23.2 120 125 A E H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.884 111.2 48.3 -70.4 -38.7 30.4 13.3 25.3 121 126 A L H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.919 112.3 50.2 -61.8 -41.9 26.8 14.0 24.1 122 127 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.926 111.3 47.5 -63.6 -45.1 28.1 14.2 20.5 123 128 A K H X S+ 0 0 44 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.907 112.6 50.1 -59.5 -45.8 29.9 10.8 20.8 124 129 A R H X S+ 0 0 170 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.923 111.5 47.4 -59.8 -46.6 26.8 9.3 22.4 125 130 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.890 109.8 52.8 -65.0 -40.7 24.5 10.5 19.6 126 131 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.891 109.7 49.6 -61.5 -40.7 26.9 9.3 16.9 127 132 A G H X S+ 0 0 15 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.933 112.4 46.4 -63.7 -46.2 26.9 5.8 18.4 128 133 A E H >< S+ 0 0 43 -4,-2.3 3,-1.8 1,-0.2 4,-0.5 0.914 103.8 63.6 -61.2 -43.8 23.1 5.7 18.6 129 134 A W H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.873 98.3 55.9 -46.6 -45.2 22.8 7.0 15.0 130 135 A L H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.701 97.7 63.4 -63.3 -23.9 24.5 3.8 13.7 131 136 A T T << S+ 0 0 72 -3,-1.8 2,-0.4 -4,-0.5 -1,-0.2 0.572 90.1 78.5 -80.9 -11.5 22.0 1.5 15.4 132 137 A Y < - 0 0 36 -3,-1.3 2,-0.4 -4,-0.5 -32,-0.0 -0.804 58.7-170.9-100.8 143.7 19.0 2.8 13.4 133 138 A R - 0 0 61 -2,-0.4 -31,-0.0 -30,-0.0 -3,-0.0 -0.993 26.0-116.2-137.4 126.1 18.3 1.7 9.8 134 139 A F - 0 0 30 -2,-0.4 2,-0.7 1,-0.1 -31,-0.1 -0.304 19.7-135.9 -64.1 140.3 15.7 3.2 7.5 135 140 A D > - 0 0 90 -32,-0.4 3,-2.1 1,-0.1 6,-0.3 -0.867 8.0-159.9 -99.8 108.1 12.8 1.0 6.4 136 141 A Q T 3 S+ 0 0 133 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.690 92.7 53.0 -61.3 -19.9 12.2 1.6 2.7 137 142 A K T 3 S+ 0 0 194 4,-0.1 -1,-0.3 -3,-0.0 5,-0.0 0.378 87.1 111.3 -95.9 1.7 8.6 0.2 3.0 138 143 A S S X S- 0 0 32 -3,-2.1 3,-0.9 1,-0.1 4,-0.4 -0.272 83.0-111.2 -70.1 161.6 7.6 2.5 5.9 139 144 A A T >> S+ 0 0 89 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.805 117.0 66.6 -59.7 -30.8 5.0 5.3 5.7 140 145 A S H >> S+ 0 0 24 1,-0.2 4,-2.4 -37,-0.2 3,-0.5 0.826 87.3 68.6 -60.8 -31.7 7.9 7.8 6.0 141 146 A A H <> S+ 0 0 17 -3,-0.9 4,-2.1 -6,-0.3 -1,-0.2 0.821 93.7 55.8 -55.8 -35.1 9.3 6.6 2.6 142 147 A Q H <> S+ 0 0 76 -3,-1.0 4,-0.8 -4,-0.4 -1,-0.2 0.832 109.3 47.8 -68.4 -31.8 6.3 8.2 0.9 143 148 A K H XX S+ 0 0 164 -4,-0.8 4,-1.0 -3,-0.5 3,-0.8 0.929 110.7 49.0 -72.1 -47.6 7.2 11.5 2.5 144 149 A V H >X S+ 0 0 12 -4,-2.4 4,-2.0 -40,-0.2 3,-0.8 0.892 104.3 63.5 -56.2 -37.2 10.9 11.2 1.6 145 150 A Q H 3X S+ 0 0 87 -4,-2.1 4,-2.8 1,-0.3 -1,-0.2 0.841 94.9 58.2 -59.2 -33.6 9.6 10.4 -2.0 146 151 A A H < S+ 0 0 75 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.896 106.3 49.1 -58.6 -45.6 10.2 14.1 -6.7 150 155 A Y H >< S+ 0 0 139 -4,-1.5 3,-2.0 1,-0.2 -1,-0.2 0.885 104.0 59.7 -62.8 -40.4 11.1 17.8 -6.4 151 156 A E H >< S+ 0 0 50 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.743 88.6 74.2 -62.7 -21.6 14.8 17.0 -7.1 152 157 A K T << S+ 0 0 148 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.628 80.1 75.1 -62.8 -16.8 13.7 15.5 -10.5 153 158 A K T < S+ 0 0 139 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.3 0.647 88.8 71.7 -66.2 -18.2 13.2 19.2 -11.6 154 159 A F < - 0 0 127 -3,-1.5 2,-0.4 -4,-0.2 0, 0.0 -0.821 57.3-163.9-117.0 140.6 16.9 19.7 -12.0 155 160 A V - 0 0 128 -2,-0.4 2,-0.7 0, 0.0 -3,-0.0 -0.966 23.5-129.4-119.1 139.9 19.6 18.6 -14.4 156 161 A E + 0 0 132 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.778 34.6 163.9 -88.1 112.8 23.4 18.9 -13.6 157 162 A V 0 0 132 -2,-0.7 -1,-0.1 1,-0.0 0, 0.0 0.546 360.0 360.0-105.4 -12.9 25.1 20.6 -16.6 158 163 A N 0 0 195 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.841 360.0 360.0-148.3 360.0 28.4 21.6 -14.9