==== 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 TRANSFERASE 17-MAR-03 1UAR . COMPND 2 MOLECULE: RHODANESE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.SUZUKI,Y.KAKUTA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITI . 276 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.3 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 1 4 0 0 2 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 0 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 G 0 0 105 0, 0.0 208,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.4 34.4 0.4 1.4 2 3 A Y - 0 0 55 1,-0.1 247,-0.2 2,-0.0 246,-0.2 -0.236 360.0-128.2 -65.1 158.1 32.0 -0.2 4.3 3 4 A A S S+ 0 0 49 245,-2.0 245,-0.2 244,-0.3 3,-0.1 0.862 105.8 24.7 -74.4 -36.6 30.9 -3.8 5.0 4 5 A H > + 0 0 66 243,-1.4 3,-1.7 1,-0.1 -1,-0.2 -0.525 65.1 154.1-128.8 66.0 27.2 -2.8 4.9 5 6 A P G > + 0 0 71 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.757 68.9 74.9 -64.9 -19.3 26.8 0.3 2.8 6 7 A E G 3 S+ 0 0 105 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.684 90.2 54.9 -68.2 -15.9 23.2 -0.8 2.1 7 8 A V G < S+ 0 0 12 -3,-1.7 102,-2.7 240,-0.1 2,-0.5 0.379 98.0 74.8 -96.4 4.9 22.2 0.2 5.6 8 9 A L E < -a 109 0A 26 -3,-1.7 2,-0.3 100,-0.2 102,-0.2 -0.970 64.9-171.7-118.5 120.0 23.4 3.7 5.1 9 10 A V E -a 110 0A 7 100,-2.3 102,-2.7 -2,-0.5 2,-0.1 -0.848 17.4-126.0-113.3 150.9 21.4 6.1 2.9 10 11 A S > - 0 0 55 -2,-0.3 4,-2.2 100,-0.2 5,-0.2 -0.382 27.4-110.5 -86.5 166.4 22.3 9.6 1.6 11 12 A T H > S+ 0 0 2 100,-0.3 4,-2.3 1,-0.2 5,-0.2 0.859 122.3 55.2 -64.4 -31.2 20.2 12.7 2.0 12 13 A D H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 105.8 50.8 -64.4 -47.2 19.6 12.4 -1.8 13 14 A W H 4 S+ 0 0 55 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.927 111.0 48.9 -56.1 -47.5 18.2 8.9 -1.4 14 15 A V H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.934 109.0 51.1 -61.9 -46.2 15.9 9.9 1.4 15 16 A Q H >< S+ 0 0 52 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.844 110.3 50.8 -61.9 -31.1 14.5 12.9 -0.6 16 17 A E T 3< S+ 0 0 135 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.438 111.7 47.8 -86.1 2.1 13.8 10.6 -3.6 17 18 A H T X S+ 0 0 47 -3,-1.7 3,-1.6 -4,-0.3 -1,-0.2 0.174 72.1 113.7-124.1 16.1 12.0 8.1 -1.4 18 19 A L T < S+ 0 0 45 -3,-0.7 -2,-0.1 1,-0.3 7,-0.1 0.677 88.8 36.0 -62.2 -18.2 9.7 10.5 0.5 19 20 A E T 3 S+ 0 0 189 -3,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 0.220 82.2 128.7-118.6 11.2 6.7 8.9 -1.3 20 21 A D X - 0 0 55 -3,-1.6 3,-1.8 1,-0.2 -3,-0.1 -0.561 54.6-145.5 -69.0 121.3 7.9 5.3 -1.4 21 22 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.736 98.5 52.2 -62.0 -20.3 5.0 3.3 0.0 22 23 A K T 3 S+ 0 0 102 57,-0.1 58,-3.7 53,-0.0 2,-0.4 0.372 95.9 87.4 -96.4 4.4 7.5 0.9 1.6 23 24 A V E < -b 80 0A 7 -3,-1.8 2,-0.5 56,-0.2 58,-0.2 -0.890 48.4-178.5-111.6 133.6 9.5 3.6 3.3 24 25 A R E -b 81 0A 29 56,-2.2 58,-2.4 -2,-0.4 2,-0.4 -0.954 13.3-157.5-130.2 111.0 8.9 5.1 6.8 25 26 A V E -b 82 0A 7 -2,-0.5 19,-2.3 17,-0.3 2,-0.4 -0.738 9.5-170.5 -90.8 134.3 11.2 7.9 7.9 26 27 A L E -bc 83 44A 0 56,-3.1 58,-1.8 -2,-0.4 2,-0.5 -0.990 15.7-145.5-129.0 131.9 11.6 8.6 11.6 27 28 A E E -bc 84 45A 1 17,-2.7 19,-1.9 -2,-0.4 2,-0.5 -0.846 17.4-173.9 -95.0 124.2 13.4 11.5 13.3 28 29 A V E + c 0 46A 0 56,-2.8 2,-0.3 -2,-0.5 64,-0.2 -0.915 12.3 171.7-124.1 103.0 15.1 10.4 16.6 29 30 A D - 0 0 4 17,-0.6 19,-0.4 -2,-0.5 58,-0.0 -0.807 44.4-137.9-114.4 153.8 16.6 13.3 18.5 30 31 A E S S+ 0 0 49 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 0.861 105.6 65.4 -70.7 -33.1 18.1 13.7 22.0 31 32 A D S > S- 0 0 81 1,-0.1 3,-1.5 -3,-0.1 4,-0.4 -0.768 77.2-163.8 -90.5 97.5 16.1 16.9 22.0 32 33 A I T 3 S+ 0 0 64 -2,-1.1 -1,-0.1 1,-0.2 4,-0.1 0.364 83.5 54.6 -66.6 7.3 12.5 15.6 21.9 33 34 A L T 3> S+ 0 0 111 2,-0.1 4,-0.7 1,-0.1 3,-0.5 0.550 82.6 84.6-114.1 -13.0 11.1 18.9 20.8 34 35 A L H X> S+ 0 0 41 -3,-1.5 3,-1.0 1,-0.2 4,-0.6 0.863 83.0 59.9 -57.8 -42.5 13.2 19.6 17.7 35 36 A Y H >4 S+ 0 0 8 -4,-0.4 3,-1.5 1,-0.2 -1,-0.2 0.880 97.1 61.5 -54.2 -42.6 11.0 17.5 15.4 36 37 A D H 34 S+ 0 0 87 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 98.7 56.3 -55.9 -34.1 8.0 19.8 16.2 37 38 A T H << S- 0 0 98 -3,-1.0 -1,-0.3 -4,-0.7 2,-0.2 0.647 130.2 -38.8 -75.5 -15.9 9.8 22.9 14.8 38 39 A G << + 0 0 5 -3,-1.5 -1,-0.3 -4,-0.6 2,-0.3 -0.585 63.5 174.2 156.6 139.8 10.4 21.2 11.4 39 40 A H B -E 125 0B 0 86,-2.0 86,-2.1 -2,-0.2 88,-0.1 -0.911 44.6 -63.9-152.6 176.3 11.2 17.8 9.9 40 41 A I > - 0 0 0 -2,-0.3 3,-2.3 84,-0.2 84,-0.2 -0.453 69.3 -92.9 -66.7 137.6 11.6 15.8 6.7 41 42 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.284 111.0 11.9 -55.7 132.3 8.3 15.5 4.9 42 43 A G T 3 S+ 0 0 18 85,-0.4 -17,-0.3 1,-0.3 2,-0.1 0.366 97.2 135.7 82.6 -6.4 6.4 12.4 5.8 43 44 A A < - 0 0 0 -3,-2.3 2,-0.3 -19,-0.1 -1,-0.3 -0.437 42.3-147.7 -76.8 149.4 8.8 11.7 8.8 44 45 A Q E -c 26 0A 20 -19,-2.3 -17,-2.7 -2,-0.1 2,-0.3 -0.832 15.5-113.0-116.5 156.4 7.4 10.7 12.2 45 46 A K E -c 27 0A 47 -2,-0.3 2,-0.5 -19,-0.2 -17,-0.2 -0.680 17.1-162.3 -95.4 140.3 8.8 11.5 15.6 46 47 A I E -c 28 0A 2 -19,-1.9 2,-0.8 -2,-0.3 -17,-0.6 -0.988 4.0-162.3-117.8 126.1 10.3 9.1 18.1 47 48 A D > - 0 0 16 -2,-0.5 4,-3.4 1,-0.2 5,-0.4 -0.912 17.1-153.9-107.3 97.0 10.5 10.3 21.7 48 49 A W H >>S+ 0 0 36 -2,-0.8 4,-2.9 -19,-0.4 5,-0.9 0.828 83.6 41.5 -43.6 -58.2 13.0 7.8 23.0 49 50 A Q H >5S+ 0 0 108 1,-0.2 4,-0.8 3,-0.2 -1,-0.2 0.918 122.6 40.6 -61.4 -43.2 12.3 7.6 26.8 50 51 A R H 45S+ 0 0 156 -3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.880 125.5 34.6 -72.7 -38.9 8.5 7.6 26.2 51 52 A D H <5S+ 0 0 12 -4,-3.4 -3,-0.2 1,-0.1 -2,-0.2 0.832 129.5 26.9 -87.7 -34.9 8.5 5.3 23.2 52 53 A F H <5S+ 0 0 0 -4,-2.9 9,-2.3 -5,-0.4 2,-0.3 0.694 106.3 75.0-102.7 -23.0 11.3 2.8 23.9 53 54 A W B < - 0 0 41 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.178 31.2-105.9 -71.7 167.4 8.3 -5.5 25.4 63 64 A E H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 124.1 52.0 -59.8 -38.9 8.2 -7.2 22.0 64 65 A E H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.925 110.1 47.0 -63.4 -46.2 4.5 -6.9 22.1 65 66 A E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.842 108.5 55.9 -65.5 -34.2 4.7 -3.2 22.8 66 67 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.926 105.8 51.8 -63.9 -43.2 7.2 -2.7 20.1 67 68 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.870 109.1 49.5 -61.8 -38.2 4.8 -4.2 17.6 68 69 A K H X S+ 0 0 108 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.882 109.2 52.4 -69.0 -37.3 2.0 -1.9 18.6 69 70 A L H X S+ 0 0 12 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.957 109.0 50.3 -61.6 -49.1 4.3 1.1 18.3 70 71 A X H <>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 3,-0.2 0.920 109.4 50.1 -55.1 -49.4 5.2 0.1 14.7 71 72 A E H ><5S+ 0 0 66 -4,-2.1 63,-2.0 1,-0.2 3,-1.7 0.907 109.0 51.7 -59.2 -41.7 1.6 -0.4 13.7 72 73 A R H 3<5S+ 0 0 145 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.852 109.4 51.3 -62.6 -33.3 0.7 3.1 15.0 73 74 A L T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.358 120.2-110.8 -85.2 5.9 3.6 4.5 13.0 74 75 A G T < 5S+ 0 0 4 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.782 71.8 143.6 70.1 26.5 2.4 2.8 9.8 75 76 A I < - 0 0 0 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.2 -0.853 27.2-175.6-105.2 134.2 5.3 0.4 9.9 76 77 A S > - 0 0 26 -2,-0.4 3,-1.5 58,-0.2 60,-0.2 -0.667 43.5 -94.1-117.0 173.7 5.1 -3.3 8.9 77 78 A N T 3 S+ 0 0 65 58,-1.3 28,-0.4 1,-0.3 29,-0.4 0.829 125.2 43.9 -59.3 -35.0 7.7 -6.1 9.0 78 79 A D T 3 S+ 0 0 93 27,-0.1 -1,-0.3 26,-0.1 2,-0.1 0.297 87.8 124.1 -94.8 10.2 8.8 -5.6 5.4 79 80 A T < - 0 0 7 -3,-1.5 2,-1.0 1,-0.1 27,-0.4 -0.433 64.6-128.8 -72.6 142.1 8.9 -1.8 5.7 80 81 A T E -b 23 0A 17 -58,-3.7 -56,-2.2 -2,-0.1 2,-0.5 -0.831 29.8-158.8 -90.7 103.7 12.2 0.0 4.9 81 82 A V E -bd 24 107A 0 25,-2.5 27,-2.7 -2,-1.0 2,-0.5 -0.756 5.2-162.8 -89.7 128.4 12.6 2.1 8.1 82 83 A V E -bd 25 108A 0 -58,-2.4 -56,-3.1 -2,-0.5 2,-0.3 -0.950 5.3-162.8-116.1 126.8 14.9 5.2 7.7 83 84 A L E +bd 26 109A 0 25,-3.0 27,-2.6 -2,-0.5 2,-0.3 -0.839 17.4 154.4-112.8 143.2 16.3 6.9 10.8 84 85 A Y E +b 27 0A 2 -58,-1.8 -56,-2.8 -2,-0.3 2,-0.3 -0.978 6.8 147.8-157.8 156.2 17.9 10.3 11.2 85 86 A G > - 0 0 0 -2,-0.3 29,-2.3 -58,-0.2 30,-0.6 -0.963 43.0 -67.3-170.9-174.6 18.4 12.8 14.0 86 87 A D H >> S+ 0 0 23 -2,-0.3 3,-0.8 27,-0.2 4,-0.7 -0.076 95.7 51.3 -79.7-175.6 20.5 15.5 15.6 87 88 A K H >4 S- 0 0 90 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.864 133.3 -55.5 53.1 48.5 24.0 15.1 17.1 88 89 A N H 34 S- 0 0 35 1,-0.3 -1,-0.2 24,-0.2 -2,-0.1 0.832 103.1 -59.2 56.6 33.4 25.6 13.3 14.2 89 90 A N H S+ 0 0 0 -5,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.781 115.2 59.9 -75.0 -28.7 20.1 9.0 19.0 92 93 A A H > S+ 0 0 0 -6,-0.4 4,-2.0 -64,-0.2 -1,-0.2 0.858 104.0 51.6 -67.7 -32.6 19.2 7.7 15.5 93 94 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.833 106.7 54.8 -70.0 -32.4 21.9 5.1 15.8 94 95 A Y H X S+ 0 0 0 -4,-1.0 4,-2.4 -5,-0.2 -2,-0.2 0.917 107.8 47.9 -64.8 -44.7 20.4 4.1 19.2 95 96 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.901 108.8 55.6 -63.7 -37.3 17.0 3.6 17.4 96 97 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.959 108.7 47.2 -57.9 -50.6 18.9 1.6 14.8 97 98 A W H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 112.4 49.2 -56.9 -44.8 20.2 -0.7 17.5 98 99 A F H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.894 109.2 51.5 -66.3 -38.8 16.8 -1.0 19.1 99 100 A F H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 3,-0.2 0.905 112.8 46.2 -63.5 -39.9 15.1 -1.9 15.8 100 101 A K H ><5S+ 0 0 28 -4,-2.2 3,-1.6 3,-0.2 -1,-0.2 0.821 105.2 60.1 -71.1 -30.4 17.8 -4.6 15.3 101 102 A Y H 3<5S+ 0 0 0 -4,-2.0 41,-2.7 1,-0.3 -1,-0.2 0.823 108.5 45.8 -65.2 -28.4 17.3 -5.8 18.8 102 103 A N T 3<5S- 0 0 2 -4,-1.3 38,-0.3 -3,-0.2 -1,-0.3 0.244 122.9-111.5 -95.8 9.7 13.7 -6.4 17.8 103 104 A G T < 5 + 0 0 36 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.624 50.4 171.4 72.9 17.7 14.9 -8.1 14.6 104 105 A H < - 0 0 1 -5,-2.7 3,-0.2 1,-0.1 -1,-0.2 -0.447 21.1-154.7 -64.1 120.0 13.7 -5.5 12.0 105 106 A K S S+ 0 0 181 -28,-0.4 2,-0.7 -2,-0.4 -1,-0.1 0.872 77.1 42.1 -65.6 -43.1 15.3 -6.6 8.7 106 107 A D + 0 0 42 -27,-0.4 -25,-2.5 -29,-0.4 2,-0.4 -0.793 68.4 144.2-115.5 93.3 15.4 -3.4 6.8 107 108 A V E - d 0 81A 1 -2,-0.7 2,-0.3 -3,-0.2 -25,-0.2 -0.978 21.9-175.1-124.0 135.6 16.6 -0.4 8.9 108 109 A R E - d 0 82A 53 -27,-2.7 -25,-3.0 -2,-0.4 2,-0.4 -0.965 17.2-141.1-134.8 152.7 18.8 2.3 7.4 109 110 A L E -ad 8 83A 0 -102,-2.7 -100,-2.3 -2,-0.3 2,-0.8 -0.927 21.7-126.0-113.5 132.5 20.5 5.4 8.8 110 111 A X E > -a 9 0A 0 -27,-2.6 3,-2.1 -2,-0.4 -25,-0.2 -0.681 29.8-125.0 -82.7 112.2 20.7 8.7 6.8 111 112 A N T 3 S+ 0 0 36 -102,-2.7 -100,-0.3 -2,-0.8 95,-0.2 -0.334 95.0 20.4 -57.8 126.4 24.4 9.7 6.6 112 113 A G T 3> S- 0 0 1 93,-0.8 4,-1.5 -24,-0.1 3,-0.3 0.038 99.0-143.7 102.2 -25.8 24.8 13.2 7.9 113 114 A G H <> - 0 0 0 -3,-2.1 4,-1.7 1,-0.2 3,-0.3 -0.087 53.5 -33.3 64.5-163.3 21.6 13.2 10.0 114 115 A R H > S+ 0 0 26 -29,-2.3 4,-2.6 1,-0.2 5,-0.3 0.876 134.9 65.5 -58.2 -37.4 19.3 16.1 10.5 115 116 A Q H > S+ 0 0 78 -30,-0.6 4,-2.4 -3,-0.3 -1,-0.2 0.914 104.6 40.6 -51.2 -53.3 22.4 18.3 10.4 116 117 A K H X S+ 0 0 44 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.880 113.2 53.7 -67.3 -39.6 23.3 17.6 6.8 117 118 A W H X>S+ 0 0 1 -4,-1.7 5,-1.9 1,-0.2 4,-0.6 0.917 114.2 42.3 -61.3 -43.8 19.7 17.7 5.6 118 119 A V H ><5S+ 0 0 67 -4,-2.6 3,-0.8 2,-0.2 -2,-0.2 0.905 111.7 54.3 -69.1 -43.6 19.2 21.2 7.1 119 120 A E H 3<5S+ 0 0 146 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.881 109.2 49.2 -59.1 -38.9 22.6 22.4 6.0 120 121 A E H 3<5S- 0 0 74 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.640 110.3-123.8 -77.0 -15.1 21.7 21.5 2.4 121 122 A G T <<5 + 0 0 64 -3,-0.8 -3,-0.2 -4,-0.6 3,-0.1 0.790 50.2 163.4 77.9 27.6 18.3 23.2 2.6 122 123 A R < - 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0 0 1 -27,-2.1 5,-0.1 -2,-0.6 -24,-0.1 -0.802 36.5-137.9-135.0 89.0 37.6 5.4 21.4 196 204 A P > - 0 0 31 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.258 19.3-126.8 -49.2 129.5 35.4 8.6 21.9 197 205 A W G > S+ 0 0 33 -28,-1.7 3,-1.9 1,-0.3 4,-0.1 0.805 102.3 64.8 -51.6 -40.1 32.4 8.1 19.7 198 206 A A G > S+ 0 0 51 1,-0.3 3,-1.8 -29,-0.2 -1,-0.3 0.647 81.7 80.3 -61.4 -16.1 32.7 11.4 17.8 199 207 A K G < S+ 0 0 96 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.690 83.9 64.4 -65.0 -15.3 36.0 10.2 16.3 200 208 A A G < S+ 0 0 0 -3,-1.9 8,-2.5 -4,-0.2 2,-0.3 0.558 98.0 66.0 -84.8 -7.8 33.9 8.2 13.8 201 209 A V B < S-L 207 0F 15 -3,-1.8 6,-0.2 6,-0.2 5,-0.1 -0.831 72.7-127.0-121.4 157.0 32.4 11.3 12.2 202 210 A N > - 0 0 47 4,-3.2 3,-2.2 -2,-0.3 -2,-0.1 -0.433 41.4 -97.5 -88.5 166.4 33.4 14.3 10.1 203 211 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -115,-0.1 0.806 123.1 57.9 -55.2 -30.2 32.6 17.9 11.0 204 212 A D T 3 S- 0 0 74 2,-0.1 -85,-0.1 1,-0.1 3,-0.1 0.396 121.9-103.8 -83.9 4.5 29.6 17.9 8.7 205 213 A G S < S+ 0 0 1 -3,-2.2 -93,-0.8 1,-0.3 2,-0.1 0.290 80.0 125.2 95.4 -11.1 28.0 14.9 10.5 206 214 A T - 0 0 15 -95,-0.2 -4,-3.2 -94,-0.1 -1,-0.3 -0.393 65.7 -98.6 -81.6 159.8 28.8 12.2 8.0 207 215 A F B -L 201 0F 9 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.1 -0.437 37.4-114.4 -75.0 150.4 30.7 9.0 8.8 208 216 A K - 0 0 51 -8,-2.5 -1,-0.1 1,-0.2 -8,-0.0 -0.261 47.1 -77.4 -75.2 171.2 34.4 8.7 8.1 209 217 A S > - 0 0 46 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.235 39.9-108.7 -68.0 160.4 35.7 6.3 5.4 210 218 A A H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 122.6 51.7 -55.2 -38.0 35.9 2.6 6.2 211 219 A E H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 110.1 45.7 -65.6 -46.3 39.7 3.1 6.2 212 220 A E H 4 S+ 0 0 90 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.857 114.4 50.4 -65.9 -35.1 39.6 6.0 8.6 213 221 A L H >X S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 4,-0.9 0.918 106.0 53.3 -70.0 -44.1 37.3 4.0 10.8 214 222 A R H >X S+ 0 0 82 -4,-2.6 4,-2.5 1,-0.3 3,-1.0 0.904 102.3 61.5 -56.4 -39.3 39.4 0.9 10.8 215 223 A A H 3< S+ 0 0 60 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.663 97.4 58.6 -61.9 -18.4 42.3 3.1 12.0 216 224 A L H <4 S+ 0 0 21 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.808 122.4 18.6 -80.3 -30.1 40.4 4.0 15.2 217 225 A Y H X<>S+ 0 0 0 -3,-1.0 5,-2.0 -4,-0.9 3,-1.5 0.840 111.6 62.6-109.9 -46.9 40.0 0.4 16.3 218 226 A E G ><5S+ 0 0 88 -4,-2.5 3,-2.3 1,-0.3 -3,-0.2 0.911 101.0 55.0 -52.0 -49.9 42.5 -2.0 14.7 219 227 A P G 3 5S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.699 107.2 53.4 -59.8 -16.9 45.6 -0.4 16.1 220 228 A L G < 5S- 0 0 71 -3,-1.5 -2,-0.2 2,-0.1 3,-0.1 0.295 123.9-100.3-100.5 9.4 44.2 -0.7 19.6 221 229 A G T < 5S+ 0 0 27 -3,-2.3 2,-1.5 1,-0.2 -3,-0.2 0.485 80.5 135.7 87.4 1.7 43.5 -4.5 19.3 222 230 A I < + 0 0 3 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.674 34.3 161.5 -85.2 87.6 39.8 -4.0 18.6 223 231 A T > - 0 0 36 -2,-1.5 3,-2.0 -3,-0.1 -58,-0.0 -0.779 53.2-113.1-115.1 157.5 39.6 -6.6 15.8 224 232 A K T 3 S+ 0 0 112 -2,-0.3 29,-0.4 1,-0.3 4,-0.1 0.736 109.0 67.2 -55.7 -28.6 36.8 -8.5 14.0 225 233 A D T 3 S+ 0 0 121 27,-0.1 -1,-0.3 26,-0.1 2,-0.3 0.589 93.3 76.4 -72.0 -8.7 38.0 -11.9 15.3 226 234 A K S < S- 0 0 40 -3,-2.0 2,-0.6 -62,-0.0 27,-0.4 -0.699 88.2-110.8-106.1 155.5 37.1 -10.8 18.9 227 235 A D E -h 164 0D 51 -64,-2.3 -62,-2.4 -2,-0.3 2,-0.4 -0.735 42.4-151.9 -81.1 123.7 33.7 -10.6 20.7 228 236 A I E -hj 165 254D 2 25,-3.1 27,-2.7 -2,-0.6 2,-0.4 -0.806 17.8-170.5-104.8 141.2 33.2 -6.9 21.2 229 237 A V E -hj 166 255D 10 -64,-1.8 -62,-2.8 -2,-0.4 2,-0.4 -0.998 10.8-164.5-128.0 123.1 31.2 -5.1 24.0 230 238 A V E +hj 167 256D 0 25,-2.8 27,-2.9 -2,-0.4 2,-0.3 -0.879 14.3 167.0-110.4 141.3 30.6 -1.4 23.6 231 239 A Y E +h 168 0D 0 -64,-2.5 -62,-2.3 -2,-0.4 -61,-0.3 -0.984 17.7 161.5-151.4 162.3 29.5 0.9 26.4 232 240 A C - 0 0 5 25,-0.5 29,-2.6 -2,-0.3 3,-0.1 -0.234 69.5 -62.2-141.3-127.0 29.1 4.5 27.6 233 241 A R S S+ 0 0 51 1,-0.5 29,-1.9 27,-0.3 2,-0.3 0.731 120.1 5.9-101.4 -39.4 26.9 5.8 30.4 234 242 A I S >> S- 0 0 11 27,-0.1 3,-2.1 26,-0.1 4,-0.7 -0.961 80.4-107.2-142.3 155.5 23.6 4.6 28.9 235 243 A A H >> S+ 0 0 1 23,-1.2 4,-1.4 -2,-0.3 3,-1.0 0.851 112.5 70.5 -51.5 -39.6 22.8 2.5 25.8 236 244 A E H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 -142,-0.2 0.727 104.2 41.1 -52.4 -24.8 21.5 5.6 24.0 237 245 A R H <4 S+ 0 0 22 -3,-2.1 4,-0.3 21,-0.1 -1,-0.2 0.617 112.8 49.1-103.4 -12.4 25.1 6.9 23.7 238 246 A S H S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 108.6 40.2 -60.8 -47.7 26.5 4.9 17.5 241 249 A S H > S+ 0 0 0 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.851 111.6 57.6 -71.6 -33.3 29.9 3.1 17.9 242 250 A W H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.947 108.3 48.0 -58.7 -46.7 28.2 -0.3 18.0 243 251 A F H X>S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-1.4 0.909 109.4 52.6 -59.3 -46.0 26.7 0.6 14.6 244 252 A V H <>S+ 0 0 0 -4,-2.0 5,-1.8 3,-0.2 6,-0.2 0.931 114.6 41.5 -57.7 -47.5 30.1 1.7 13.3 245 253 A L H <5S+ 0 0 0 -4,-2.5 6,-2.7 3,-0.2 -2,-0.2 0.958 122.4 35.8 -68.5 -51.8 31.7 -1.6 14.3 246 254 A K H <5S+ 0 0 39 -4,-2.8 -3,-0.2 4,-0.2 -2,-0.2 0.927 132.4 20.8 -72.0 -45.2 29.0 -4.0 13.3 247 255 A Y T <5S+ 0 0 27 -4,-2.2 -243,-1.4 -5,-0.3 -244,-0.3 0.905 128.8 37.9 -94.3 -46.4 27.6 -2.4 10.1 248 256 A L T S+ 0 0 3 -112,-0.5 4,-1.0 -25,-0.2 3,-0.3 0.939 83.7 156.5 -56.8 -45.3 23.5 -0.7 31.5 260 268 A S H >> - 0 0 0 -3,-0.3 4,-2.9 1,-0.2 3,-1.0 -0.001 62.7 -32.0 51.4-155.9 26.8 1.0 30.8 261 269 A W H 3> S+ 0 0 2 -29,-2.6 4,-2.6 1,-0.3 5,-0.2 0.825 130.6 66.9 -67.4 -31.9 28.5 3.1 33.4 262 270 A T H 34 S+ 0 0 20 -29,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.807 116.9 30.4 -59.0 -25.4 25.4 4.4 35.1 263 271 A E H XX S+ 0 0 33 -3,-1.0 3,-1.5 -4,-1.0 4,-0.9 0.879 124.3 44.0 -94.5 -55.1 24.9 0.8 36.1 264 272 A W H >< S+ 0 0 2 -4,-2.9 3,-0.9 1,-0.3 -3,-0.2 0.905 111.1 53.6 -57.6 -46.4 28.5 -0.4 36.4 265 273 A G T 3< S+ 0 0 0 -4,-2.6 -80,-1.3 1,-0.2 -81,-0.4 0.480 115.8 41.9 -70.4 -0.5 29.8 2.6 38.2 266 274 A N T <4 S+ 0 0 69 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.425 88.6 111.6-121.2 -7.0 27.1 2.2 40.8 267 275 A L S X< S- 0 0 47 -3,-0.9 3,-0.6 -4,-0.9 2,-0.3 -0.430 70.9-115.5 -71.6 142.8 27.3 -1.6 41.2 268 276 A V T 3 S- 0 0 143 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.621 87.3 -2.5 -80.5 134.1 28.5 -3.0 44.5 269 277 A G T 3 S+ 0 0 80 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.778 88.2 141.1 60.2 36.7 31.8 -5.0 44.4 270 278 A V < - 0 0 36 -3,-0.6 -1,-0.2 -6,-0.2 2,-0.0 -0.827 57.5 -96.2-109.0 148.8 32.6 -5.0 40.7 271 279 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.339 43.3-179.1 -64.0 138.8 36.0 -4.6 39.1 272 280 A I - 0 0 58 -83,-0.2 2,-0.4 -2,-0.0 -83,-0.2 -0.998 12.0-157.4-141.6 135.0 37.1 -1.1 38.0 273 281 A A B -K 188 0E 16 -85,-3.1 -85,-3.3 -2,-0.4 2,-0.3 -0.898 7.7-164.3-114.8 142.4 40.2 0.1 36.4 274 282 A K + 0 0 142 -2,-0.4 -97,-0.2 -87,-0.2 2,-0.2 -0.759 51.9 24.0-118.6 167.3 41.5 3.7 36.5 275 283 A G S S- 0 0 29 -99,-2.8 2,-0.3 -2,-0.3 -97,-0.1 -0.489 103.0 -25.3 81.8-150.7 44.2 5.4 34.4 276 284 A E 0 0 124 -2,-0.2 -2,-0.1 1,-0.1 -83,-0.1 -0.687 360.0 360.0-104.7 155.5 45.1 4.3 30.9 277 285 A E 0 0 101 -2,-0.3 -84,-0.2 -4,-0.1 -1,-0.1 0.251 360.0 360.0-157.5 360.0 44.9 0.8 29.2