==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-JUN-13 4LGQ . COMPND 2 MOLECULE: PUTATIVE POLYKETIDE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 536 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 80.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 28.4 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 . 12 2.2 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 . 61 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.9 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 4 0 0 4 0 4 4 4 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 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 4 0 0 8 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 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 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 5 A X 0 0 218 0, 0.0 2,-0.2 0, 0.0 113,-0.0 0.000 360.0 360.0 360.0 88.5 64.8 -11.2 130.0 2 6 A D - 0 0 75 1,-0.1 112,-0.1 2,-0.1 5,-0.1 -0.500 360.0 -97.2 -88.4 152.9 61.2 -9.7 130.1 3 7 A T > - 0 0 92 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 0.018 30.0-107.5 -60.7 162.3 58.8 -9.0 127.1 4 8 A S H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.925 122.7 53.2 -58.2 -45.5 58.2 -5.8 125.1 5 9 A K H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.783 110.0 48.4 -58.6 -35.4 54.7 -5.5 126.8 6 10 A A H > S+ 0 0 29 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.808 110.0 51.4 -74.4 -35.9 56.5 -5.8 130.3 7 11 A V H X S+ 0 0 2 -4,-1.9 4,-2.6 -3,-0.3 -2,-0.2 0.921 112.6 45.2 -66.7 -46.5 59.1 -3.1 129.4 8 12 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.905 111.4 53.6 -64.7 -41.7 56.4 -0.6 128.3 9 13 A Q H X S+ 0 0 93 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.871 112.0 45.0 -59.3 -40.5 54.4 -1.5 131.5 10 14 A R H X S+ 0 0 72 -4,-1.8 4,-3.1 2,-0.2 5,-0.5 0.884 111.5 52.6 -71.1 -43.5 57.6 -0.7 133.6 11 15 A F H X>S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 5,-1.6 0.894 109.8 48.4 -59.1 -44.9 58.2 2.5 131.7 12 16 A N H <>S+ 0 0 2 -4,-2.6 5,-2.2 3,-0.2 -1,-0.2 0.849 118.4 41.3 -66.0 -33.1 54.7 3.8 132.3 13 17 A R H <>S+ 0 0 100 -4,-1.2 5,-1.6 3,-0.2 -2,-0.2 0.952 125.9 29.2 -79.2 -54.6 54.9 2.9 136.0 14 18 A E H <5S+ 0 0 48 -4,-3.1 6,-2.4 3,-0.2 5,-0.2 0.908 132.7 28.9 -79.7 -42.1 58.4 4.1 136.9 15 19 A V T X5S+ 0 0 0 -4,-1.7 4,-1.2 -5,-0.5 -3,-0.2 0.972 130.2 29.7 -85.5 -60.8 58.9 7.0 134.3 16 20 A I T 4 - 0 0 74 -6,-2.4 4,-1.1 1,-0.2 -1,-0.2 -0.630 17.2-178.0 -75.4 105.5 62.2 8.2 138.0 21 25 A X H > S+ 0 0 53 -2,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.601 81.5 65.6 -84.2 -10.3 64.6 9.5 135.3 22 26 A A H > S+ 0 0 65 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.864 103.9 46.5 -73.6 -34.9 67.2 6.9 136.5 23 27 A A H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.866 108.3 57.2 -70.3 -37.3 64.6 4.3 135.2 24 28 A F H >X S+ 0 0 14 -4,-1.1 4,-2.0 1,-0.2 3,-0.6 0.943 104.8 49.8 -56.2 -54.8 64.4 6.4 132.0 25 29 A A H 3< S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.793 115.0 45.3 -52.6 -35.9 68.2 6.1 131.4 26 30 A E H 3< S+ 0 0 144 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.725 120.2 38.2 -81.0 -29.4 67.8 2.3 131.9 27 31 A L H << S+ 0 0 10 -4,-1.7 89,-3.3 -3,-0.6 2,-0.4 0.489 104.5 71.6-106.0 -8.6 64.6 1.9 129.7 28 32 A V E < S-a 116 0A 8 -4,-2.0 89,-0.1 87,-0.3 -1,-0.0 -0.956 75.4-133.6-116.4 129.4 65.4 4.3 126.8 29 33 A A E > - 0 0 8 87,-2.5 3,-1.3 -2,-0.4 -2,-0.1 -0.410 17.5-124.2 -73.3 152.2 68.1 3.6 124.1 30 34 A P E 3 S+ 0 0 116 0, 0.0 16,-0.2 0, 0.0 -1,-0.1 0.728 113.7 51.7 -72.4 -19.1 70.6 6.3 123.1 31 35 A D E 3 S+ 0 0 117 13,-0.1 86,-0.1 14,-0.1 -2,-0.0 0.175 84.7 141.3 -97.5 12.5 69.6 6.0 119.4 32 36 A F E < - 0 0 3 -3,-1.3 2,-0.4 84,-0.2 86,-0.2 -0.220 35.8-158.8 -58.7 142.8 65.9 6.3 120.4 33 37 A V E -a 118 0A 56 84,-1.5 86,-1.5 11,-0.1 2,-0.8 -0.994 10.7-154.7-129.9 122.1 63.6 8.4 118.0 34 38 A N E > -a 119 0A 16 9,-2.7 3,-1.3 -2,-0.4 86,-0.2 -0.873 9.7-172.9 -94.6 100.5 60.2 9.9 119.0 35 39 A H T 3 S+ 0 0 82 84,-2.7 85,-0.2 -2,-0.8 -1,-0.1 0.689 84.5 55.3 -69.6 -18.7 58.4 10.1 115.7 36 40 A S T 3 S+ 0 0 47 83,-0.7 -1,-0.3 7,-0.1 84,-0.1 0.174 78.1 134.1 -99.2 13.1 55.6 12.1 117.4 37 41 A A < - 0 0 26 -3,-1.3 11,-0.0 1,-0.1 10,-0.0 -0.405 64.1-104.7 -66.5 136.5 58.0 14.8 118.7 38 42 A P > - 0 0 74 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.121 38.7 -95.6 -58.1 162.5 56.7 18.4 118.2 39 43 A P T 3 S+ 0 0 148 0, 0.0 -2,-0.1 0, 0.0 463,-0.0 0.819 122.4 37.7 -51.5 -40.5 58.3 20.5 115.3 40 44 A G T 3 S+ 0 0 81 2,-0.1 2,-0.2 0, 0.0 -3,-0.0 0.578 100.5 92.5 -89.1 -11.5 60.8 22.3 117.6 41 45 A V S < S- 0 0 68 -3,-1.1 -4,-0.0 1,-0.1 7,-0.0 -0.574 81.8-106.1 -91.3 148.3 61.7 19.4 119.9 42 46 A S - 0 0 61 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.500 16.0-148.0 -65.1 126.4 64.5 16.9 119.5 43 47 A P S S+ 0 0 63 0, 0.0 -9,-2.7 0, 0.0 -1,-0.1 0.609 72.2 101.5 -74.0 -6.9 63.3 13.4 118.4 44 48 A G S > S- 0 0 14 -11,-0.2 4,-1.9 1,-0.1 5,-0.1 0.025 95.9 -96.3 -69.0 174.0 66.2 12.0 120.5 45 49 A P H > S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.827 124.8 57.3 -63.2 -30.8 66.1 10.5 124.1 46 50 A D H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.913 107.7 46.3 -64.4 -45.0 67.1 14.0 125.5 47 51 A G H > S+ 0 0 12 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.889 113.5 49.2 -63.0 -42.9 64.0 15.6 123.9 48 52 A F H >X S+ 0 0 5 -4,-1.9 4,-1.0 2,-0.2 3,-0.6 0.882 110.8 49.3 -65.3 -43.2 61.7 12.8 125.1 49 53 A A H 3X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 3,-0.4 0.883 106.5 58.6 -63.1 -38.9 63.1 13.1 128.7 50 54 A G H 3X S+ 0 0 34 -4,-2.0 4,-1.7 1,-0.2 5,-0.4 0.723 98.1 59.3 -61.0 -29.3 62.5 16.8 128.4 51 55 A F H S+ 0 0 85 -4,-0.8 5,-3.0 -3,-0.6 4,-1.4 0.901 113.1 37.4 -67.4 -42.3 58.8 16.2 127.8 52 56 A F H <>S+ 0 0 7 -4,-1.0 5,-2.7 -3,-0.4 -2,-0.2 0.977 124.6 37.0 -74.2 -56.9 58.4 14.4 131.1 53 57 A T H <5S+ 0 0 79 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.823 128.8 34.2 -64.2 -38.4 60.8 16.5 133.3 54 58 A G H <5S+ 0 0 53 -4,-1.7 -3,-0.2 -5,-0.3 -1,-0.2 0.729 135.2 7.1 -94.4 -29.5 59.9 19.8 131.7 55 59 A X T X5S+ 0 0 49 -4,-1.4 4,-1.0 -5,-0.4 -3,-0.2 0.754 123.2 44.8-124.1 -44.0 56.2 19.7 130.7 56 60 A L H > -B 76 0A 49 3,-2.1 3,-1.9 -2,-0.4 135,-0.1 -0.912 68.9 -2.0-161.8 134.5 53.1 -7.4 115.7 74 78 A N T 3 S- 0 0 125 1,-0.3 3,-0.1 -2,-0.3 132,-0.0 0.874 129.9 -50.7 49.6 50.7 56.6 -7.3 114.0 75 79 A G T 3 S+ 0 0 35 1,-0.2 36,-0.6 35,-0.0 2,-0.4 0.453 114.1 115.2 70.6 5.0 58.4 -5.8 117.0 76 80 A K E < -BC 73 110A 38 -3,-1.9 -3,-2.1 34,-0.2 2,-0.5 -0.887 47.3-162.4-108.4 136.0 55.8 -3.0 117.5 77 81 A V E -BC 72 109A 0 32,-2.3 32,-2.4 -2,-0.4 2,-0.5 -0.974 3.4-158.0-121.4 116.2 53.6 -2.8 120.7 78 82 A V E -BC 71 108A 0 -7,-3.5 -7,-2.2 -2,-0.5 2,-0.5 -0.807 9.1-163.8 -92.2 125.5 50.5 -0.6 120.6 79 83 A T E -BC 70 107A 0 28,-2.8 28,-2.1 -2,-0.5 2,-0.5 -0.965 6.5-162.9-113.6 124.0 49.3 0.4 124.1 80 84 A R E +BC 69 106A 46 -11,-2.6 -12,-2.5 -2,-0.5 -11,-1.4 -0.936 33.4 150.5-102.8 118.0 45.8 1.7 124.6 81 85 A K E -BC 67 105A 12 24,-2.5 24,-2.6 -2,-0.5 2,-0.4 -0.900 44.8-129.9-143.7 171.3 45.7 3.5 128.0 82 86 A T E -BC 66 104A 15 -16,-1.9 -16,-2.8 -2,-0.3 2,-0.6 -0.974 17.8-151.0-130.0 115.5 44.2 6.3 130.2 83 87 A I E -BC 65 103A 19 20,-2.9 20,-3.6 -2,-0.4 2,-0.5 -0.765 15.7-168.7 -83.0 117.3 46.5 8.7 132.1 84 88 A E E +BC 64 102A 69 -20,-3.6 -20,-3.0 -2,-0.6 2,-0.3 -0.961 21.5 143.7-109.9 130.6 44.7 9.9 135.2 85 89 A A E - C 0 101A 2 16,-2.2 16,-3.1 -2,-0.5 2,-0.5 -0.984 50.0-102.6-158.4 164.2 46.2 12.9 137.2 86 90 A T E -BC 61 100A 27 -25,-3.1 -25,-2.7 -2,-0.3 2,-1.3 -0.814 35.8-126.2 -95.8 128.0 45.6 16.0 139.2 87 91 A H E +B 60 0A 0 12,-3.3 11,-3.2 -2,-0.5 10,-0.8 -0.611 53.4 144.4 -76.1 94.2 46.1 19.3 137.3 88 92 A T + 0 0 65 -29,-1.3 -28,-0.2 -2,-1.3 2,-0.2 0.484 58.6 36.0-111.9 -10.4 48.6 21.1 139.6 89 93 A G S S- 0 0 13 -30,-2.1 2,-0.3 -3,-0.2 -30,-0.2 -0.656 102.8 -55.9-130.3-172.0 50.9 22.9 137.0 90 94 A A - 0 0 76 -2,-0.2 2,-0.4 5,-0.1 -30,-0.1 -0.583 52.6-177.6 -75.1 125.3 50.7 24.7 133.7 91 95 A F B > -E 94 0B 2 3,-2.3 3,-2.0 -2,-0.3 -35,-0.0 -0.931 62.6 -37.3-135.5 107.3 49.2 22.4 131.0 92 96 A F T 3 S- 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.860 124.6 -41.4 44.3 54.2 48.8 23.5 127.3 93 97 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.354 115.5 115.3 81.7 -2.1 48.0 27.1 128.3 94 98 A Q B < -E 91 0B 59 -3,-2.0 -3,-2.3 -5,-0.0 -1,-0.2 -0.884 61.1-138.4-101.3 113.6 45.7 26.2 131.1 95 99 A P - 0 0 96 0, 0.0 -5,-0.1 0, 0.0 -6,-0.1 -0.344 49.5 -60.8 -66.4 155.7 46.9 27.3 134.6 96 100 A A + 0 0 61 -8,-0.2 -8,-0.2 1,-0.1 -6,-0.1 0.007 52.4 174.6 -39.1 125.2 46.6 24.8 137.5 97 101 A S - 0 0 46 -10,-0.8 -9,-0.2 -8,-0.2 -1,-0.1 0.542 37.5-131.6-109.6 -20.6 42.9 23.9 138.2 98 102 A G + 0 0 51 -11,-3.2 2,-0.1 1,-0.3 -10,-0.1 0.388 60.8 139.3 79.4 -0.2 43.4 21.2 140.9 99 103 A K - 0 0 71 -12,-0.3 -12,-3.3 -13,-0.1 2,-0.7 -0.444 57.5-126.6 -75.9 145.5 41.1 18.9 139.0 100 104 A R E -C 86 0A 86 -14,-0.3 -14,-0.3 -2,-0.1 2,-0.3 -0.859 40.0-177.0 -95.7 116.5 41.7 15.2 138.6 101 105 A I E -C 85 0A 3 -16,-3.1 -16,-2.2 -2,-0.7 2,-0.5 -0.769 24.1-135.8-115.3 162.8 41.5 14.6 134.8 102 106 A A E -C 84 0A 23 -2,-0.3 2,-0.6 -18,-0.2 -18,-0.2 -0.975 13.2-164.0-123.8 117.6 41.7 11.5 132.5 103 107 A I E -C 83 0A 8 -20,-3.6 -20,-2.9 -2,-0.5 2,-0.4 -0.908 12.4-146.5-101.6 115.6 43.7 11.7 129.3 104 108 A H E +C 82 0A 98 -2,-0.6 20,-2.6 20,-0.3 2,-0.3 -0.697 31.1 169.9 -81.7 129.3 43.0 8.9 126.8 105 109 A A E -CD 81 123A 5 -24,-2.6 -24,-2.5 -2,-0.4 2,-0.3 -0.925 28.8-162.1-139.2 165.6 46.1 7.9 124.8 106 110 A X E -CD 80 122A 6 16,-2.8 16,-1.6 -2,-0.3 2,-0.3 -0.966 15.3-178.5-144.3 127.7 47.6 5.4 122.4 107 111 A D E -CD 79 121A 5 -28,-2.1 -28,-2.8 -2,-0.3 2,-0.5 -0.938 19.1-148.8-130.3 152.6 51.3 4.8 121.8 108 112 A I E -CD 78 120A 0 12,-2.7 12,-2.0 -2,-0.3 2,-0.4 -0.993 23.3-174.2-118.7 114.8 53.3 2.5 119.5 109 113 A V E -CD 77 119A 0 -32,-2.4 -32,-2.3 -2,-0.5 2,-0.6 -0.948 19.7-153.4-117.8 137.6 56.7 1.5 121.0 110 114 A V E -CD 76 118A 8 8,-2.3 7,-3.0 -2,-0.4 8,-1.1 -0.956 18.5-159.7-105.4 105.6 59.5 -0.5 119.4 111 115 A V E - D 0 116A 19 -36,-0.6 2,-0.4 -2,-0.6 5,-0.2 -0.829 11.6-179.3 -92.5 125.8 61.5 -2.2 122.2 112 116 A R E > S- D 0 115A 123 3,-2.8 3,-1.1 -2,-0.5 -2,-0.0 -0.993 70.2 -13.7-129.6 120.6 65.1 -3.3 121.3 113 117 A D T 3 S- 0 0 149 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.882 129.6 -51.8 52.6 51.2 67.3 -5.1 123.8 114 118 A G T 3 S+ 0 0 26 1,-0.2 2,-0.3 -112,-0.1 -1,-0.3 0.545 120.1 100.2 67.6 14.3 64.9 -4.2 126.7 115 119 A K E < S- D 0 112A 66 -3,-1.1 -3,-2.8 -87,-0.0 2,-0.3 -0.920 82.0 -98.0-130.0 154.3 64.9 -0.5 125.8 116 120 A Y E +aD 28 111A 2 -89,-3.3 -87,-2.5 -2,-0.3 -5,-0.2 -0.568 44.5 163.7 -66.1 118.7 62.6 2.1 124.0 117 121 A A E + 0 0 4 -7,-3.0 -84,-1.5 1,-0.4 2,-0.3 0.739 63.2 12.8-109.1 -42.2 64.0 2.4 120.4 118 122 A E E -aD 33 110A 48 -8,-1.1 -8,-2.3 -86,-0.2 -1,-0.4 -0.969 65.9-170.8-138.0 150.8 61.1 4.1 118.5 119 123 A H E -aD 34 109A 14 -86,-1.5 -84,-2.7 -2,-0.3 -83,-0.7 -0.986 13.0-179.3-153.1 135.7 57.8 5.8 119.6 120 124 A W E - D 0 108A 25 -12,-2.0 -12,-2.7 -2,-0.3 2,-0.3 -0.980 18.8-167.0-125.7 137.4 54.6 7.2 118.2 121 125 A S E - D 0 107A 50 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.913 17.3-177.9-130.5 154.9 52.0 8.8 120.4 122 126 A C E + D 0 106A 11 -16,-1.6 -16,-2.8 -2,-0.3 2,-0.3 -0.951 15.1 172.1-146.0 128.3 48.3 9.9 120.2 123 127 A A E - D 0 105A 28 -2,-0.3 2,-1.5 -18,-0.2 3,-0.3 -0.994 38.6-121.2-141.0 147.4 46.5 11.6 123.0 124 128 A D > + 0 0 46 -20,-2.6 4,-1.6 -2,-0.3 -20,-0.3 -0.585 45.8 153.5 -84.6 74.6 43.2 13.3 123.5 125 129 A L H > S+ 0 0 28 -2,-1.5 4,-2.7 2,-0.2 5,-0.3 0.840 71.7 61.0 -69.1 -34.7 44.4 16.8 124.6 126 130 A Y H > S+ 0 0 79 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.965 109.6 41.7 -54.0 -50.5 41.2 18.3 123.3 127 131 A G H > S+ 0 0 16 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.817 113.1 53.0 -64.3 -39.2 39.2 16.2 125.8 128 132 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.880 110.1 46.5 -66.9 -41.9 41.7 16.8 128.6 129 133 A L H X S+ 0 0 10 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.851 108.5 57.3 -71.2 -31.8 41.5 20.6 128.3 130 134 A A H X S+ 0 0 39 -4,-1.8 4,-0.8 -5,-0.3 -2,-0.2 0.910 107.3 48.3 -61.0 -42.0 37.7 20.3 128.1 131 135 A Q H >< S+ 0 0 64 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.897 109.2 52.6 -62.7 -45.0 37.8 18.6 131.5 132 136 A I H 3< S+ 0 0 7 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.852 110.1 49.0 -60.5 -38.3 40.2 21.3 132.9 133 137 A R H 3< 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.632 360.0 360.0 -79.4 -15.4 37.7 24.0 131.8 134 138 A A << 0 0 107 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.780 360.0 360.0 -70.6 360.0 34.5 22.2 133.3 135 !* 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 0.0 136 5 B X 0 0 235 0, 0.0 2,-0.2 0, 0.0 113,-0.0 0.000 360.0 360.0 360.0 107.4 38.7 -14.0 101.2 137 6 B D - 0 0 96 1,-0.1 112,-0.1 2,-0.1 5,-0.0 -0.564 360.0-109.5 -91.1 146.9 40.3 -10.7 102.2 138 7 B T > - 0 0 93 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 0.008 27.3-104.7 -62.0 162.5 42.0 -10.0 105.6 139 8 B S H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 124.2 51.9 -56.7 -43.6 41.0 -7.8 108.5 140 9 B K H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 108.7 50.8 -61.7 -40.8 43.7 -5.2 107.4 141 10 B A H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.853 108.8 51.2 -64.8 -38.5 42.3 -5.3 103.8 142 11 B V H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.905 110.8 48.1 -66.0 -43.1 38.7 -4.6 105.2 143 12 B I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.916 111.2 51.0 -66.5 -39.6 39.9 -1.6 107.2 144 13 B Q H X S+ 0 0 43 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.888 111.7 47.8 -61.5 -40.5 41.8 -0.3 104.1 145 14 B R H X>S+ 0 0 53 -4,-2.0 4,-3.1 2,-0.2 5,-0.5 0.895 111.6 50.4 -69.5 -40.9 38.5 -0.7 102.0 146 15 B F H X>S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 5,-1.6 0.909 110.8 48.2 -61.6 -46.9 36.6 1.1 104.8 147 16 B N H <>S+ 0 0 2 -4,-2.6 5,-2.2 3,-0.2 -1,-0.2 0.844 119.4 40.5 -64.6 -31.3 39.1 4.0 104.9 148 17 B R H <>S+ 0 0 107 -4,-1.6 5,-1.6 3,-0.2 -2,-0.2 0.958 125.6 29.7 -81.4 -56.8 38.9 4.3 101.1 149 18 B E H <5S+ 0 0 40 -4,-3.1 6,-2.5 3,-0.2 -3,-0.2 0.892 133.0 29.2 -77.4 -39.7 35.2 3.8 100.3 150 19 B V T X - 0 0 73 -6,-2.5 4,-1.2 1,-0.2 -1,-0.2 -0.656 16.9-177.2 -76.4 106.1 29.9 5.7 100.1 156 25 B X H > S+ 0 0 51 -2,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.604 81.4 65.4 -85.6 -8.9 27.4 4.8 102.7 157 26 B A H > S+ 0 0 64 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.876 104.2 46.5 -73.1 -35.6 26.4 1.7 100.6 158 27 B A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.881 108.0 57.5 -70.9 -37.6 29.9 0.5 101.3 159 28 B F H >X S+ 0 0 16 -4,-1.2 4,-2.0 1,-0.2 3,-0.5 0.941 105.1 49.7 -54.2 -53.9 29.3 1.4 105.0 160 29 B A H 3< S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.781 114.4 45.7 -54.0 -35.4 26.3 -0.9 105.2 161 30 B E H 3< S+ 0 0 115 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.741 120.0 38.2 -81.2 -30.5 28.4 -3.7 103.6 162 31 B L H << S+ 0 0 1 -4,-1.8 89,-3.3 -3,-0.5 2,-0.4 0.486 104.9 70.4-104.2 -10.4 31.5 -3.2 105.9 163 32 B V E < S-f 251 0C 8 -4,-2.0 89,-0.1 87,-0.3 83,-0.0 -0.951 77.5-131.8-115.6 129.0 29.9 -2.3 109.3 164 33 B A E > - 0 0 7 87,-2.5 3,-1.5 -2,-0.4 -2,-0.1 -0.421 15.8-124.6 -74.2 152.8 28.0 -5.1 111.3 165 34 B P E 3 S+ 0 0 114 0, 0.0 16,-0.1 0, 0.0 -1,-0.1 0.744 115.6 50.9 -70.2 -20.4 24.5 -4.4 112.8 166 35 B D E 3 S+ 0 0 124 13,-0.1 -2,-0.1 14,-0.1 2,-0.1 0.028 85.6 142.6 -99.3 20.3 25.8 -5.4 116.2 167 36 B F E < - 0 0 6 -3,-1.5 2,-0.4 84,-0.1 86,-0.2 -0.354 34.8-159.2 -62.7 141.2 28.8 -3.0 115.8 168 37 B V E -f 253 0C 47 84,-2.2 86,-1.6 11,-0.1 2,-0.9 -0.992 11.3-156.1-128.9 125.8 30.0 -1.0 118.9 169 38 B N E > -f 254 0C 20 9,-2.6 3,-1.4 -2,-0.4 86,-0.2 -0.889 9.6-173.2 -96.3 97.1 32.1 2.2 118.8 170 39 B H T 3 S+ 0 0 80 84,-2.5 85,-0.2 -2,-0.9 -1,-0.1 0.677 83.5 56.4 -65.0 -21.5 33.8 2.1 122.2 171 40 B S T 3 S+ 0 0 49 83,-0.7 -1,-0.3 7,-0.1 84,-0.1 0.312 76.6 128.9 -92.6 1.5 35.2 5.6 121.6 172 41 B A < - 0 0 21 -3,-1.4 11,-0.0 1,-0.1 10,-0.0 -0.379 66.4-109.9 -62.3 132.1 31.7 7.1 121.0 173 42 B P > - 0 0 72 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.149 34.3 -98.0 -57.8 162.0 31.1 10.3 123.1 174 43 B P T 3 S+ 0 0 147 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.775 123.4 45.5 -56.1 -28.9 28.7 10.1 126.1 175 44 B G T 3 S+ 0 0 80 2,-0.1 2,-0.2 0, 0.0 -3,-0.0 0.654 99.8 83.7 -86.9 -18.4 25.8 11.7 124.0 176 45 B V S < S- 0 0 68 -3,-1.1 7,-0.1 1,-0.1 6,-0.0 -0.591 85.1-106.5 -92.5 149.2 26.3 9.6 120.8 177 46 B S - 0 0 64 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.557 18.1-150.3 -67.8 125.3 25.0 6.1 119.9 178 47 B P S S+ 0 0 65 0, 0.0 -9,-2.6 0, 0.0 -1,-0.1 0.533 70.3 98.7 -77.9 0.3 27.8 3.5 120.0 179 48 B G S > S- 0 0 13 -11,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.050 96.0 -94.0 -78.5 178.1 25.8 1.6 117.4 180 49 B P H > S+ 0 0 23 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.820 124.4 55.2 -65.3 -30.2 26.3 1.5 113.6 181 50 B D H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.890 108.4 47.5 -70.1 -39.1 23.8 4.3 113.1 182 51 B G H > S+ 0 0 13 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.899 113.0 49.4 -64.8 -42.1 25.7 6.6 115.5 183 52 B F H >X S+ 0 0 6 -4,-1.9 4,-1.1 2,-0.2 3,-0.6 0.903 111.3 48.2 -64.0 -45.7 28.9 5.8 113.7 184 53 B A H 3X S+ 0 0 18 -4,-2.4 4,-2.5 1,-0.2 3,-0.5 0.891 106.4 59.5 -62.0 -39.6 27.4 6.5 110.2 185 54 B G H 3X S+ 0 0 23 -4,-2.0 4,-1.8 1,-0.2 5,-0.4 0.747 98.4 58.2 -60.8 -30.5 26.0 9.7 111.6 186 55 B F H S+ 0 0 78 -4,-1.0 5,-2.7 -3,-0.6 4,-1.1 0.891 113.0 38.7 -67.1 -41.0 29.5 10.9 112.4 187 56 B F H <>S+ 0 0 9 -4,-1.1 5,-2.4 -3,-0.5 -2,-0.2 0.982 123.9 37.0 -74.6 -56.5 30.6 10.5 108.7 188 57 B T H <5S+ 0 0 77 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.813 130.2 31.0 -64.0 -39.9 27.4 11.8 107.0 189 58 B G H <5S+ 0 0 43 -4,-1.8 -3,-0.2 -5,-0.3 -1,-0.2 0.689 135.3 13.7 -95.5 -23.1 26.6 14.5 109.5 190 59 B X T X5S+ 0 0 114 -4,-1.1 4,-0.9 -5,-0.4 -3,-0.2 0.765 122.8 39.6-119.0 -54.7 30.0 15.7 110.8 191 60 B L H >> S-G 211 0C 53 3,-2.0 3,-1.7 -2,-0.4 -135,-0.1 -0.946 70.2 -1.6-155.3 134.0 47.2 -9.3 117.3 209 78 B N T 3 S- 0 0 127 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.848 129.4 -53.2 53.2 47.3 44.3 -11.5 118.6 210 79 B G T 3 S+ 0 0 34 1,-0.2 36,-0.6 35,-0.0 2,-0.4 0.460 113.2 116.6 70.1 6.5 41.8 -10.2 115.9 211 80 B K E < -GH 208 245C 41 -3,-1.7 -3,-2.0 34,-0.2 2,-0.5 -0.880 48.4-160.5-106.1 133.6 42.4 -6.6 116.7 212 81 B V E -GH 207 244C 0 32,-2.4 32,-2.4 -2,-0.4 2,-0.5 -0.975 2.9-157.5-119.1 117.6 44.0 -4.3 114.0 213 82 B V E -GH 206 243C 0 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.5 -0.831 10.5-163.0 -92.8 122.8 45.6 -1.0 115.0 214 83 B T E -GH 205 242C 0 28,-3.0 28,-2.0 -2,-0.5 2,-0.6 -0.964 7.1-164.1-112.5 122.1 45.8 1.5 112.1 215 84 B R E +GH 204 241C 44 -11,-2.6 -12,-2.1 -2,-0.5 -11,-1.6 -0.930 35.2 146.1-100.5 114.7 48.2 4.4 112.4 216 85 B K E -GH 202 240C 10 24,-2.5 24,-2.5 -2,-0.6 2,-0.4 -0.883 45.7-124.9-143.0 178.4 47.1 6.9 109.7 217 86 B T E -GH 201 239C 0 -16,-2.1 -16,-2.9 -2,-0.3 2,-0.8 -0.998 13.9-150.0-135.4 125.9 46.7 10.5 108.6 218 87 B I E -GH 200 238C 20 20,-2.8 20,-3.3 -2,-0.4 2,-0.5 -0.891 19.7-171.7 -95.1 107.2 43.4 12.0 107.4 219 88 B E E +GH 199 237C 1 -20,-3.2 -20,-3.5 -2,-0.8 2,-0.3 -0.922 21.1 139.2-105.3 124.7 44.3 14.7 104.9 220 89 B A E - H 0 236C 1 16,-1.8 16,-2.8 -2,-0.5 2,-0.5 -0.970 53.2 -98.9-155.7 165.5 41.5 16.9 103.7 221 90 B T E -GH 196 235C 14 -25,-2.9 -25,-2.8 -2,-0.3 2,-1.4 -0.823 36.9-125.0 -93.4 125.3 40.5 20.5 102.8 222 91 B H E +G 195 0C 0 12,-3.2 11,-3.1 -2,-0.5 10,-0.8 -0.525 52.2 147.9 -72.0 91.8 38.6 22.3 105.7 223 92 B T + 0 0 66 -2,-1.4 2,-0.3 -29,-1.3 -28,-0.2 0.471 59.2 33.4-109.8 -0.8 35.5 23.4 103.7 224 93 B G S S- 0 0 12 -30,-1.9 8,-0.2 6,-0.1 -30,-0.1 -0.957 101.8 -63.1-150.7 160.9 32.9 23.2 106.6 225 94 B A - 0 0 74 -2,-0.3 2,-0.4 6,-0.1 -2,-0.1 -0.196 50.4-174.7 -51.3 126.4 32.6 23.8 110.4 226 95 B F B > -J 229 0D 10 3,-2.3 3,-1.9 -32,-0.1 -1,-0.1 -0.981 67.0 -22.3-132.3 113.3 34.8 21.3 112.2 227 96 B F T 3 S- 0 0 87 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.865 130.0 -46.8 49.3 48.0 34.7 21.2 116.0 228 97 B G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.435 113.4 122.7 77.2 2.6 33.3 24.7 116.2 229 98 B Q B < -J 226 0D 41 -3,-1.9 -3,-2.3 -5,-0.1 -1,-0.2 -0.857 60.8-131.9 -97.4 113.7 35.9 26.0 113.7 230 99 B P - 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