==== 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/ISOMERASE INHIBITOR 15-JUN-11 3SGW . 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) . 8091.0 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 . 8 5.1 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 2 0 2 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 0 127 0, 0.0 130,-0.0 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 145.6 23.1 -5.2 11.7 2 7 A P - 0 0 87 0, 0.0 30,-0.1 0, 0.0 2,-0.1 -0.394 360.0-104.5 -71.9 151.1 25.7 -4.9 8.9 3 8 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 28,-0.3 -0.370 33.0-137.3 -72.6 156.9 28.4 -2.3 9.4 4 9 A L E -a 31 0A 22 26,-3.0 28,-2.2 -2,-0.1 29,-0.7 -0.878 11.1-120.5-113.7 148.8 28.3 0.9 7.4 5 10 A R E -a 33 0A 82 -2,-0.4 60,-2.2 27,-0.2 61,-1.9 -0.752 35.2-158.6 -81.7 129.9 30.9 2.9 5.6 6 11 A L E -ab 34 66A 3 27,-2.9 29,-2.8 -2,-0.4 2,-0.4 -0.875 16.1-159.5-113.3 142.4 31.3 6.4 7.0 7 12 A A E -ab 35 67A 0 59,-2.1 61,-2.6 -2,-0.4 2,-0.4 -0.887 15.8-162.2-101.8 148.0 32.7 9.6 5.6 8 13 A I E +ab 36 68A 3 27,-2.4 29,-2.4 -2,-0.4 30,-0.4 -0.988 12.5 171.4-131.0 145.3 33.7 12.3 8.2 9 14 A A E + b 0 69A 0 59,-1.9 61,-2.6 -2,-0.4 2,-0.3 -0.997 3.4 165.3-150.2 146.0 34.3 16.0 7.5 10 15 A C E - b 0 70A 0 28,-2.2 61,-0.2 -2,-0.3 2,-0.2 -0.986 26.3-130.4-151.5 164.3 34.9 19.1 9.5 11 16 A D > - 0 0 17 59,-1.3 3,-1.9 -2,-0.3 4,-0.2 -0.404 54.1 -80.3 -98.0-170.4 36.1 22.7 9.1 12 17 A D G > S+ 0 0 47 34,-0.3 3,-0.9 1,-0.3 4,-0.3 0.818 130.7 56.7 -62.2 -28.8 38.7 24.4 11.4 13 18 A A G 3 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.1 58,-0.2 0.449 109.0 46.5 -82.4 -3.1 36.1 24.9 14.1 14 19 A G G <> S+ 0 0 0 -3,-1.9 4,-2.3 56,-0.3 -1,-0.2 0.262 79.0 105.2-120.0 8.9 35.2 21.2 14.2 15 20 A V H <> S+ 0 0 16 -3,-0.9 4,-2.7 -4,-0.2 5,-0.2 0.927 78.7 45.9 -65.5 -49.7 38.7 19.6 14.3 16 21 A S H > S+ 0 0 74 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.915 116.9 45.2 -66.9 -38.8 39.0 18.5 17.9 17 22 A Y H > S+ 0 0 39 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.904 111.2 54.6 -66.4 -39.0 35.5 17.0 18.0 18 23 A K H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.932 109.2 47.4 -58.5 -45.7 36.1 15.3 14.7 19 24 A E H X S+ 0 0 85 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.898 113.7 47.2 -62.9 -41.3 39.2 13.7 16.0 20 25 A A H X S+ 0 0 36 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.897 114.2 46.8 -66.2 -42.2 37.5 12.5 19.2 21 26 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.915 111.3 51.6 -66.6 -43.5 34.5 11.1 17.2 22 27 A K H X S+ 0 0 52 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.935 111.9 46.8 -61.0 -45.7 36.8 9.4 14.7 23 28 A A H < S+ 0 0 70 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.937 113.6 48.7 -57.6 -48.3 38.7 7.7 17.5 24 29 A H H >< S+ 0 0 77 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.894 116.0 43.1 -56.4 -44.3 35.4 6.7 19.2 25 30 A L H >< S+ 0 0 2 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.680 97.9 71.4 -83.0 -21.9 33.9 5.3 16.0 26 31 A S T 3< S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.667 100.7 49.4 -68.8 -15.3 37.0 3.5 14.8 27 32 A D T < S+ 0 0 87 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.480 89.5 105.4 -95.2 -5.8 36.4 1.0 17.7 28 33 A N X - 0 0 35 -3,-1.3 3,-1.9 1,-0.1 -3,-0.0 -0.634 62.6-149.2 -88.4 124.5 32.7 0.5 16.7 29 34 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.641 96.3 65.4 -66.9 -11.5 31.7 -2.8 15.0 30 35 A L T 3 S+ 0 0 33 -27,-0.1 -26,-3.0 -5,-0.1 2,-0.6 0.438 90.2 77.5 -85.7 -1.0 28.9 -1.0 13.1 31 36 A V E < -a 4 0A 20 -3,-1.9 -26,-0.2 -28,-0.3 3,-0.1 -0.944 54.3-179.8-110.1 117.8 31.5 1.0 11.2 32 37 A S E - 0 0 65 -28,-2.2 2,-0.3 -2,-0.6 -27,-0.2 0.807 69.9 -14.3 -83.8 -32.4 33.3 -0.9 8.4 33 38 A S E -a 5 0A 52 -29,-0.7 -27,-2.9 2,-0.0 2,-0.4 -0.965 56.0-137.7-164.2 157.7 35.6 2.1 7.4 34 39 A I E -a 6 0A 41 -2,-0.3 2,-0.6 -29,-0.2 -27,-0.2 -0.993 9.7-163.1-126.8 124.2 36.0 5.8 7.8 35 40 A T E -a 7 0A 57 -29,-2.8 -27,-2.4 -2,-0.4 2,-0.8 -0.933 11.5-156.6-106.9 113.4 36.9 8.1 5.0 36 41 A D E -a 8 0A 43 -2,-0.6 -27,-0.2 -29,-0.2 3,-0.1 -0.803 15.1-178.5 -98.6 111.2 38.2 11.4 6.3 37 42 A V - 0 0 23 -29,-2.4 -28,-0.2 -2,-0.8 -1,-0.1 0.460 46.2-160.6 -85.4 2.3 37.8 14.2 3.8 38 43 A G S S- 0 0 8 -30,-0.4 -28,-2.2 1,-0.3 -1,-0.3 -0.401 70.9-165.7 90.8-176.0 39.4 16.7 6.2 39 44 A V + 0 0 4 -30,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.643 35.5 178.3 -72.9 163.3 40.2 19.2 7.3 40 45 A T + 0 0 105 1,-0.2 2,-0.3 -2,-0.1 -29,-0.1 0.353 62.2 40.1-114.7 4.1 42.9 17.7 9.5 41 46 A S S > S- 0 0 41 3,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.989 72.2-127.4-151.0 144.0 44.3 20.8 11.2 42 47 A T T 3 S+ 0 0 83 -2,-0.3 -30,-0.1 1,-0.2 -1,-0.1 0.665 108.7 69.6 -59.9 -17.1 42.9 24.0 12.7 43 48 A T T 3 S+ 0 0 113 2,-0.0 2,-0.8 1,-0.0 -1,-0.2 0.654 78.4 90.9 -73.7 -17.4 45.4 25.8 10.3 44 49 A D < - 0 0 59 -3,-1.7 -32,-0.2 1,-0.1 -3,-0.1 -0.741 53.9-176.1 -89.1 110.5 43.3 24.8 7.3 45 50 A K + 0 0 136 -2,-0.8 -1,-0.1 -34,-0.1 3,-0.1 0.169 24.4 150.8 -94.5 16.8 40.7 27.5 6.6 46 51 A T - 0 0 51 1,-0.1 -34,-0.3 2,-0.1 5,-0.1 -0.249 56.7-104.1 -48.6 130.9 39.0 25.6 3.7 47 52 A A >> - 0 0 64 1,-0.1 3,-1.4 -36,-0.1 4,-0.9 -0.335 25.4-118.9 -68.2 142.4 35.4 26.8 3.7 48 53 A Y H 3> S+ 0 0 97 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.761 105.9 66.1 -55.6 -31.7 32.9 24.3 5.2 49 54 A P H 3> S+ 0 0 41 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.888 98.8 54.0 -62.0 -32.5 30.8 23.9 2.0 50 55 A H H <> S+ 0 0 115 -3,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.927 111.7 42.5 -65.9 -44.9 33.7 22.2 0.1 51 56 A V H X S+ 0 0 4 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.910 116.4 49.0 -68.9 -39.1 34.3 19.6 2.8 52 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 113.2 45.7 -63.3 -45.4 30.5 19.0 3.2 53 58 A I H X S+ 0 0 57 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.913 111.9 52.0 -69.1 -39.5 29.9 18.6 -0.6 54 59 A Q H X S+ 0 0 75 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.936 113.2 44.0 -59.4 -48.5 32.9 16.4 -1.0 55 60 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.895 114.2 50.0 -63.9 -40.3 31.7 14.0 1.8 56 61 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.890 106.3 56.2 -65.3 -38.8 28.1 14.1 0.4 57 62 A Q H X S+ 0 0 78 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.846 98.7 61.3 -64.2 -31.4 29.4 13.3 -3.0 58 63 A L H <>S+ 0 0 40 -4,-1.4 5,-2.7 2,-0.2 6,-1.3 0.864 107.1 45.6 -61.1 -35.7 31.0 10.2 -1.6 59 64 A I H ><5S+ 0 0 19 -4,-1.1 3,-1.8 -3,-0.5 -2,-0.2 0.953 112.5 49.1 -69.2 -49.3 27.6 9.0 -0.6 60 65 A K H 3<5S+ 0 0 78 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.856 112.0 50.7 -57.8 -35.9 26.0 9.9 -4.0 61 66 A D T 3<5S- 0 0 105 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.277 116.6-111.5 -92.9 11.9 28.8 8.1 -5.8 62 67 A G T < 5S+ 0 0 45 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.658 85.3 116.6 74.0 18.5 28.5 4.9 -3.8 63 68 A K S S+ 0 0 0 38,-0.3 4,-0.9 17,-0.1 39,-0.1 0.472 81.4 106.1 81.4 4.2 26.8 22.1 12.2 75 80 A L H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.1 5,-0.1 0.927 74.1 45.1 -82.8 -48.4 24.3 24.2 10.3 76 81 A G H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 110.4 54.4 -67.1 -38.8 26.2 25.2 7.1 77 82 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 110.5 48.1 -60.3 -39.1 27.6 21.7 6.6 78 83 A A H X S+ 0 0 7 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.924 111.6 48.6 -67.5 -44.5 23.9 20.4 6.7 79 84 A I H X S+ 0 0 103 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.949 114.0 47.7 -56.1 -48.2 22.8 23.1 4.2 80 85 A S H >< S+ 0 0 12 -4,-2.6 3,-1.4 1,-0.2 4,-0.4 0.924 110.1 49.8 -62.0 -47.9 25.6 22.3 1.9 81 86 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.852 103.8 61.0 -62.7 -37.3 25.2 18.5 1.9 82 87 A N H 3< S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.687 92.4 67.4 -63.4 -16.6 21.4 19.0 1.2 83 88 A K T << S+ 0 0 166 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.711 80.8 92.2 -76.9 -15.8 22.4 20.7 -2.1 84 89 A V S X S- 0 0 6 -3,-1.6 3,-2.1 -4,-0.4 -3,-0.0 -0.627 93.3-102.8 -81.1 129.7 23.8 17.4 -3.4 85 90 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.265 102.2 7.1 -56.1 131.6 21.1 15.4 -5.4 86 91 A G T 3 S+ 0 0 30 1,-0.2 2,-0.4 -4,-0.1 -4,-0.1 0.420 101.1 120.6 79.9 -0.1 19.6 12.5 -3.4 87 92 A I < - 0 0 4 -3,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.830 42.6-167.6-100.5 135.4 21.4 13.5 -0.2 88 93 A R - 0 0 26 -2,-0.4 21,-1.9 18,-0.2 20,-0.7 -0.986 11.4-177.6-126.5 121.5 19.5 14.4 2.9 89 94 A A E -d 109 0A 9 -2,-0.5 2,-0.3 -11,-0.2 21,-0.2 -0.939 4.9-174.0-126.8 140.7 21.4 16.0 5.8 90 95 A V E -d 110 0A 34 19,-1.9 21,-2.0 -2,-0.4 2,-0.5 -0.926 24.2-138.6-128.1 156.6 20.4 17.1 9.3 91 96 A T E +d 111 0A 47 -2,-0.3 2,-0.4 19,-0.2 21,-0.2 -0.974 38.8 169.5-104.6 126.2 21.8 19.0 12.3 92 97 A A + 0 0 6 19,-1.9 -2,-0.1 -2,-0.5 21,-0.0 -0.977 26.6 168.2-148.0 132.7 20.8 17.0 15.4 93 98 A H + 0 0 56 -2,-0.4 2,-0.3 19,-0.1 -1,-0.1 0.112 62.3 68.5-130.5 16.2 21.8 17.3 19.0 94 99 A D S > S- 0 0 72 1,-0.1 4,-2.2 31,-0.0 5,-0.2 -0.970 79.0-119.4-139.5 156.7 19.2 15.1 20.8 95 100 A T H > S+ 0 0 74 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.818 110.1 51.0 -67.2 -34.5 18.4 11.4 20.9 96 101 A F H > S+ 0 0 138 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.948 111.8 47.0 -67.9 -48.2 14.8 11.6 19.5 97 102 A S H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.875 109.8 53.4 -58.7 -43.2 15.9 13.7 16.5 98 103 A V H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.919 110.4 47.7 -63.3 -41.4 18.8 11.5 15.7 99 104 A E H >X S+ 0 0 55 -4,-1.8 4,-2.9 1,-0.2 3,-0.7 0.944 114.1 45.9 -58.4 -49.6 16.5 8.4 15.7 100 105 A R H 3X>S+ 0 0 76 -4,-2.5 4,-2.5 1,-0.2 5,-2.2 0.817 99.9 68.7 -69.3 -31.6 14.0 10.2 13.5 101 106 A A H 3<5S+ 0 0 2 -4,-2.5 6,-2.8 3,-0.2 -1,-0.2 0.890 116.0 27.6 -51.1 -40.9 16.7 11.5 11.1 102 107 A I H > -c 71 0A 0 -40,-0.4 4,-2.5 -2,-0.3 3,-1.5 -0.891 11.3-164.9-105.4 102.8 28.0 21.9 16.2 114 119 A Q T 34 S+ 0 0 38 -43,-2.8 -42,-0.2 -2,-0.7 -41,-0.2 0.824 90.0 52.6 -53.3 -36.2 31.3 21.7 18.2 115 120 A R T 34 S+ 0 0 189 -43,-2.3 -1,-0.3 -44,-0.4 -42,-0.1 0.584 118.9 33.9 -80.9 -8.4 30.6 25.2 19.7 116 121 A V T <4 S+ 0 0 98 -3,-1.5 2,-0.3 -44,-0.5 -2,-0.2 0.685 112.3 53.2-118.5 -25.4 27.1 24.3 20.9 117 122 A I S < S- 0 0 11 -4,-2.5 2,-0.2 2,-0.0 -1,-0.1 -0.768 78.7-116.2-109.9 156.4 27.1 20.6 21.9 118 123 A G > - 0 0 39 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.621 24.5-118.5 -90.8 155.0 29.4 18.7 24.3 119 124 A I H > S+ 0 0 46 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.828 109.0 51.1 -66.9 -35.4 31.7 15.9 23.2 120 125 A E H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 111.4 47.7 -71.9 -36.4 30.2 13.1 25.3 121 126 A L H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.935 112.5 50.6 -65.1 -42.9 26.7 13.8 24.1 122 127 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.927 111.2 47.7 -61.0 -46.1 28.0 14.0 20.5 123 128 A K H X S+ 0 0 42 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.910 112.9 49.4 -57.6 -45.6 29.8 10.6 20.9 124 129 A R H X S+ 0 0 171 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.929 111.9 47.2 -62.0 -48.2 26.7 9.0 22.4 125 130 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.887 110.5 52.3 -61.9 -40.4 24.4 10.3 19.6 126 131 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.896 109.9 49.5 -65.2 -38.3 26.7 9.2 16.9 127 132 A G H < S+ 0 0 16 -4,-2.0 4,-0.4 -5,-0.2 3,-0.3 0.925 112.9 46.7 -63.8 -45.4 26.8 5.7 18.4 128 133 A E H >< S+ 0 0 44 -4,-2.2 3,-2.0 1,-0.2 4,-0.5 0.913 103.7 63.2 -62.9 -43.7 23.0 5.6 18.6 129 134 A W H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.866 98.1 56.2 -48.7 -40.8 22.6 6.9 15.0 130 135 A L T 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.679 97.5 63.4 -70.2 -19.0 24.4 3.7 13.6 131 136 A T T < S+ 0 0 73 -3,-2.0 2,-0.4 -4,-0.4 -1,-0.3 0.548 89.6 78.3 -84.3 -9.8 21.8 1.4 15.3 132 137 A Y < - 0 0 35 -3,-1.3 2,-0.4 -4,-0.5 -32,-0.0 -0.810 58.6-171.6-100.2 143.4 18.8 2.7 13.3 133 138 A R - 0 0 59 -2,-0.4 2,-0.1 -30,-0.0 -31,-0.0 -0.996 26.3-115.2-137.0 129.7 18.2 1.6 9.8 134 139 A F - 0 0 29 -2,-0.4 2,-0.8 1,-0.1 -31,-0.1 -0.347 19.2-134.4 -68.6 139.9 15.6 3.1 7.5 135 140 A D > - 0 0 86 -32,-0.3 3,-1.9 1,-0.1 6,-0.4 -0.848 9.9-161.5 -96.4 107.1 12.7 0.9 6.4 136 141 A Q T 3 S+ 0 0 128 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.668 91.3 53.5 -62.2 -17.0 12.2 1.5 2.6 137 142 A K T 3 S+ 0 0 188 4,-0.1 -1,-0.3 -3,-0.0 5,-0.0 0.385 87.8 110.9 -96.6 0.0 8.6 0.0 2.9 138 143 A S S X> S- 0 0 26 -3,-1.9 3,-0.7 1,-0.1 4,-0.5 -0.231 83.7-110.4 -72.4 164.3 7.5 2.3 5.7 139 144 A A H >> S+ 0 0 78 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.829 118.0 64.9 -61.0 -32.1 4.9 5.1 5.4 140 145 A S H >> S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.837 88.1 67.0 -61.9 -32.6 7.9 7.5 5.8 141 146 A A H <> S+ 0 0 10 -3,-0.7 4,-2.0 -6,-0.4 -1,-0.2 0.820 96.2 55.7 -58.7 -31.0 9.3 6.4 2.5 142 147 A Q H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.2 3,-1.0 0.897 103.1 63.2 -57.6 -38.4 10.8 11.0 1.5 145 150 A Q H 3X S+ 0 0 80 -4,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.828 94.1 60.0 -55.7 -34.7 9.7 10.3 -2.1 146 151 A A H < S+ 0 0 73 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.913 105.8 49.2 -57.1 -47.5 10.2 13.9 -6.7 150 155 A Y H >< S+ 0 0 140 -4,-1.6 3,-2.0 1,-0.2 -1,-0.2 0.890 104.1 60.3 -60.9 -38.0 11.1 17.6 -6.4 151 156 A E H >< S+ 0 0 50 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.760 88.9 72.8 -64.9 -22.7 14.8 16.7 -7.1 152 157 A K T << S+ 0 0 148 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.601 80.1 75.6 -63.1 -15.9 13.7 15.4 -10.5 153 158 A K T < S+ 0 0 139 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.3 0.655 89.1 72.4 -67.5 -19.0 13.1 19.0 -11.7 154 159 A F < - 0 0 129 -3,-1.6 2,-0.4 -4,-0.2 0, 0.0 -0.815 57.4-163.7-114.8 140.6 16.9 19.5 -12.0 155 160 A V - 0 0 131 -2,-0.4 2,-0.7 0, 0.0 -3,-0.0 -0.967 23.0-131.1-118.7 138.8 19.6 18.4 -14.4 156 161 A E + 0 0 132 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.793 34.8 163.5 -90.6 109.8 23.3 18.7 -13.6 157 162 A V 0 0 135 -2,-0.7 -1,-0.2 1,-0.0 0, 0.0 0.551 360.0 360.0-104.8 -13.1 25.0 20.4 -16.6 158 163 A N 0 0 201 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.865 360.0 360.0-147.9 360.0 28.3 21.5 -15.0