==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-JUL-09 3IC5 . COMPND 2 MOLECULE: PUTATIVE SACCHAROPINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RUEGERIA POMEROYI; . AUTHOR J.OSIPIUK,C.TESAR,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER FOR . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 18.3 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 . 19 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 0 0 2 1 0 2 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 2 4 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 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 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 -1 A N > 0 0 158 0, 0.0 2,-2.1 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -70.9 53.5 5.5 5.8 2 0 A A T 3 + 0 0 95 1,-0.3 26,-0.0 2,-0.0 0, 0.0 0.191 360.0 91.1 -57.1 19.4 52.9 9.3 5.4 3 1 A X T 3 + 0 0 177 -2,-2.1 -1,-0.3 2,-0.1 2,-0.1 0.113 60.8 131.7 -89.3 12.5 49.3 8.4 4.6 4 2 A R < - 0 0 72 -3,-0.6 2,-0.4 1,-0.1 25,-0.3 -0.380 68.0-110.7 -63.4 144.0 48.5 8.8 8.3 5 3 A W E -a 29 0A 141 23,-2.6 25,-2.8 -2,-0.1 2,-0.7 -0.656 32.3-138.2 -71.5 127.7 45.5 10.9 9.4 6 4 A N E -a 30 0A 47 -2,-0.4 64,-2.2 23,-0.2 65,-1.5 -0.829 26.0-172.0 -98.4 114.4 47.0 14.0 11.0 7 5 A I E -ab 31 71A 9 23,-3.3 25,-1.9 -2,-0.7 2,-0.5 -0.857 17.4-158.5-113.6 138.6 45.0 14.9 14.1 8 6 A C E -ab 32 72A 0 63,-2.4 65,-2.7 -2,-0.4 2,-0.6 -0.978 9.5-158.8-114.9 124.7 45.2 17.9 16.4 9 7 A V E -ab 33 73A 0 23,-3.2 25,-3.1 -2,-0.5 2,-0.7 -0.923 7.8-151.1-101.0 122.1 43.8 17.4 19.8 10 8 A V E +ab 34 74A 10 63,-2.8 65,-3.5 -2,-0.6 25,-0.2 -0.861 66.4 42.3-102.0 114.8 42.9 20.7 21.5 11 9 A G - 0 0 6 23,-3.2 24,-0.2 -2,-0.7 65,-0.1 0.249 61.0-145.4 114.1 119.0 43.3 20.4 25.2 12 10 A A + 0 0 4 4,-0.1 32,-0.1 21,-0.1 23,-0.1 0.045 61.0 112.7-102.5 24.8 46.0 18.8 27.3 13 11 A G S > S- 0 0 30 62,-0.6 4,-2.9 4,-0.0 5,-0.2 0.008 89.1 -64.1 -82.5-161.2 43.9 17.5 30.2 14 12 A K H > S+ 0 0 161 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.899 135.7 40.8 -56.3 -51.5 43.2 13.9 31.1 15 13 A I H > S+ 0 0 34 85,-0.4 4,-2.9 2,-0.2 5,-0.3 0.871 113.0 56.1 -68.0 -36.4 41.2 13.0 28.0 16 14 A G H > S+ 0 0 0 59,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.942 109.0 47.5 -56.5 -46.9 43.7 14.9 25.8 17 15 A Q H X S+ 0 0 65 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.941 113.5 48.0 -63.2 -44.0 46.5 12.8 27.3 18 16 A X H X S+ 0 0 114 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.936 113.9 43.8 -63.6 -47.3 44.5 9.5 26.7 19 17 A I H X S+ 0 0 34 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.916 112.5 54.8 -70.9 -36.8 43.5 10.2 23.1 20 18 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.908 109.0 46.8 -54.6 -47.2 47.0 11.4 22.4 21 19 A A H X S+ 0 0 39 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.891 112.8 50.6 -69.4 -37.7 48.6 8.1 23.7 22 20 A L H X S+ 0 0 112 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.953 114.6 42.3 -58.1 -52.9 46.0 6.1 21.7 23 21 A L H >< S+ 0 0 15 -4,-2.7 3,-0.9 1,-0.2 6,-0.4 0.912 111.1 56.3 -64.0 -44.9 46.8 7.9 18.5 24 22 A K H 3< S+ 0 0 106 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.878 108.6 47.4 -53.0 -42.0 50.5 7.9 19.1 25 23 A T H 3< S+ 0 0 110 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.661 95.9 94.5 -75.5 -17.7 50.4 4.1 19.4 26 24 A S << - 0 0 30 -3,-0.9 3,-0.2 -4,-0.9 -3,-0.0 -0.334 68.3-143.2 -76.7 158.9 48.3 3.6 16.2 27 25 A S S S+ 0 0 93 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.0 0.682 98.1 50.8 -93.6 -10.8 49.8 2.9 12.8 28 26 A N S S+ 0 0 109 -24,-0.1 -23,-2.6 -5,-0.1 2,-0.3 0.377 102.4 66.1-104.9 6.1 47.2 5.0 10.9 29 27 A Y E -a 5 0A 93 -6,-0.4 2,-0.4 -25,-0.3 -23,-0.2 -0.915 50.7-162.4-133.3 150.0 47.4 8.4 12.9 30 28 A S E -a 6 0A 42 -25,-2.8 -23,-3.3 -2,-0.3 2,-0.4 -0.976 21.6-159.3-120.1 144.5 49.6 11.3 13.8 31 29 A V E +a 7 0A 15 -2,-0.4 19,-0.7 -25,-0.2 2,-0.3 -0.980 19.1 177.5-134.2 138.9 48.8 13.5 16.7 32 30 A T E -ac 8 50A 22 -25,-1.9 -23,-3.2 -2,-0.4 2,-0.5 -0.980 20.6-145.9-125.4 140.3 49.7 16.9 17.9 33 31 A V E -ac 9 51A 0 17,-2.6 19,-1.8 -2,-0.3 2,-0.4 -0.944 10.3-162.9-112.3 129.3 48.2 18.4 21.1 34 32 A A E +ac 10 52A 0 -25,-3.1 -23,-3.2 -2,-0.5 2,-0.3 -0.929 22.9 146.4-110.7 133.8 47.5 22.1 21.3 35 33 A D E - c 0 53A 20 17,-1.7 19,-1.4 -2,-0.4 -2,-0.0 -0.974 50.3-127.1-155.6 162.3 46.9 23.8 24.7 36 34 A H S S+ 0 0 102 -2,-0.3 2,-0.7 17,-0.2 17,-0.1 0.665 87.9 84.8 -83.6 -18.9 47.5 27.2 26.3 37 35 A D > - 0 0 69 1,-0.2 4,-1.9 2,-0.0 5,-0.1 -0.778 58.6-164.8 -98.4 112.2 49.4 25.7 29.3 38 36 A L H > S+ 0 0 107 -2,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.822 91.5 50.7 -67.8 -31.4 53.1 25.1 28.8 39 37 A A H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.932 109.7 51.4 -68.5 -43.9 53.4 22.8 31.9 40 38 A A H > S+ 0 0 20 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.902 110.3 49.5 -54.3 -41.2 50.4 20.7 30.7 41 39 A L H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.894 100.9 64.1 -69.1 -38.7 52.2 20.5 27.3 42 40 A A H X S+ 0 0 36 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.862 97.2 56.9 -50.0 -46.7 55.4 19.3 29.1 43 41 A V H < S+ 0 0 43 -4,-1.6 3,-0.4 2,-0.2 -1,-0.2 0.952 108.3 46.4 -44.2 -59.4 53.5 16.2 30.2 44 42 A L H ><>S+ 0 0 0 -4,-1.1 5,-2.6 1,-0.2 3,-1.2 0.842 109.9 53.3 -55.4 -38.9 52.7 15.4 26.5 45 43 A N H ><5S+ 0 0 99 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.843 102.6 58.3 -66.2 -30.1 56.3 16.0 25.5 46 44 A R T 3<5S+ 0 0 187 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.464 106.8 50.2 -78.3 1.0 57.3 13.6 28.3 47 45 A X T < 5S- 0 0 61 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.364 122.2-105.5-110.0 -2.3 55.1 11.1 26.3 48 46 A G T < 5S+ 0 0 50 -3,-1.2 2,-0.5 1,-0.3 -3,-0.2 0.702 73.5 142.5 82.0 20.8 56.8 11.8 22.9 49 47 A V < - 0 0 5 -5,-2.6 -1,-0.3 -8,-0.1 -2,-0.2 -0.831 52.9-122.2-100.1 130.8 53.8 13.8 21.6 50 48 A A E -c 32 0A 57 -19,-0.7 -17,-2.6 -2,-0.5 2,-0.3 -0.402 37.1-170.1 -65.1 140.4 54.2 16.9 19.4 51 49 A T E -c 33 0A 44 -19,-0.2 2,-0.3 -2,-0.1 -17,-0.2 -0.894 18.2-165.9-135.0 166.6 52.7 19.9 20.9 52 50 A K E -c 34 0A 73 -19,-1.8 -17,-1.7 -2,-0.3 2,-0.4 -0.980 22.9-125.9-154.9 131.4 51.8 23.5 20.1 53 51 A Q E +c 35 0A 114 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.707 37.2 167.9 -84.8 135.3 50.8 26.4 22.3 54 52 A V - 0 0 17 -19,-1.4 2,-0.3 -2,-0.4 8,-0.0 -0.813 28.4-145.9-136.9 172.5 47.5 28.1 21.4 55 53 A D > - 0 0 87 3,-0.3 3,-2.1 -2,-0.3 7,-0.3 -0.904 6.8-154.1-147.6 112.9 45.1 30.6 22.9 56 54 A A T 3 S+ 0 0 16 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.570 92.4 68.8 -68.8 -10.4 41.4 30.2 22.2 57 55 A K T 3 S+ 0 0 112 1,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.584 91.7 65.7 -79.2 -13.6 40.8 34.0 22.7 58 56 A D <> + 0 0 86 -3,-2.1 4,-2.5 1,-0.2 -3,-0.3 -0.818 67.6 177.8-109.7 89.5 42.8 34.6 19.6 59 57 A E H > S+ 0 0 82 -2,-0.7 4,-2.8 2,-0.2 5,-0.2 0.843 78.4 48.8 -62.7 -41.1 40.5 33.0 16.9 60 58 A A H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 113.1 51.2 -65.7 -44.0 42.6 33.8 13.8 61 59 A G H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.931 110.7 47.7 -51.1 -50.3 45.6 32.4 15.7 62 60 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 -7,-0.3 -2,-0.2 0.930 109.7 52.0 -63.7 -46.7 43.7 29.2 16.5 63 61 A A H < S+ 0 0 12 -4,-2.8 4,-0.4 1,-0.2 3,-0.4 0.951 112.9 45.9 -50.8 -49.7 42.5 28.8 13.0 64 62 A K H >< S+ 0 0 145 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.881 109.0 55.2 -65.1 -38.8 46.1 29.2 11.8 65 63 A A H 3< S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.845 106.2 52.6 -64.1 -29.8 47.3 26.8 14.5 66 64 A L T >< S+ 0 0 0 -4,-2.1 3,-1.0 -3,-0.4 -1,-0.2 0.470 82.8 121.6 -86.3 -0.5 44.8 24.1 13.2 67 65 A G T < + 0 0 35 -3,-1.2 25,-0.1 -4,-0.4 3,-0.1 -0.296 67.6 26.6 -58.3 143.8 46.1 24.4 9.6 68 66 A G T 3 S+ 0 0 67 23,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.536 90.6 121.9 84.5 6.6 47.4 21.1 7.9 69 67 A F < - 0 0 19 -3,-1.0 -1,-0.3 22,-0.2 -62,-0.2 -0.832 57.6-148.4-104.3 143.8 45.4 18.7 10.0 70 68 A D S S- 0 0 64 -64,-2.2 24,-2.2 -2,-0.4 2,-0.3 0.878 85.2 -1.0 -68.2 -40.6 42.9 16.1 8.7 71 69 A A E -bd 7 94A 19 -65,-1.5 -63,-2.4 22,-0.3 2,-0.4 -0.987 59.3-142.3-152.8 157.1 40.8 16.5 11.9 72 70 A V E -bd 8 95A 0 22,-2.6 24,-3.1 -2,-0.3 2,-0.5 -0.991 14.2-160.3-123.4 126.8 40.7 18.3 15.2 73 71 A I E -bd 9 96A 15 -65,-2.7 -63,-2.8 -2,-0.4 2,-0.4 -0.943 16.3-134.7-107.7 121.6 39.4 16.6 18.4 74 72 A S E +b 10 0A 0 22,-2.3 25,-2.0 -2,-0.5 24,-0.2 -0.672 33.1 164.4 -72.2 130.2 38.3 18.7 21.3 75 73 A A + 0 0 2 -65,-3.5 -62,-0.6 -2,-0.4 -59,-0.4 -0.217 55.4 101.9-124.5 33.1 39.7 17.6 24.6 76 74 A A S S- 0 0 4 1,-0.2 24,-1.8 -65,-0.1 25,-0.3 -0.626 86.5 -68.9-113.8 168.0 38.6 21.0 25.9 77 75 A P > - 0 0 3 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.242 46.2-114.0 -61.1 147.5 35.7 22.1 28.0 78 76 A F G > S+ 0 0 7 1,-0.3 3,-2.0 2,-0.2 -2,-0.0 0.812 112.3 68.7 -47.4 -34.0 32.3 22.0 26.3 79 77 A F G 3 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.641 96.3 52.9 -69.3 -12.0 32.1 25.8 26.4 80 78 A L G <> S+ 0 0 16 -3,-2.2 4,-2.9 1,-0.1 5,-0.3 0.340 79.5 98.8 -97.0 2.2 34.9 26.2 23.9 81 79 A T H <> S+ 0 0 25 -3,-2.0 4,-2.9 -4,-0.3 5,-0.3 0.923 80.9 50.8 -58.1 -44.7 33.2 23.9 21.3 82 80 A P H > S+ 0 0 72 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.930 114.7 44.2 -60.1 -41.6 31.8 26.9 19.3 83 81 A I H > S+ 0 0 24 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.950 116.9 43.6 -66.0 -48.9 35.3 28.5 19.1 84 82 A I H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.923 113.2 51.8 -67.7 -39.8 37.2 25.3 18.3 85 83 A A H X S+ 0 0 31 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.901 110.4 49.5 -62.7 -39.6 34.7 24.1 15.7 86 84 A K H X S+ 0 0 129 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.943 112.9 46.0 -65.2 -41.4 34.8 27.5 14.0 87 85 A A H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.898 112.2 51.8 -68.8 -41.3 38.6 27.4 13.9 88 86 A A H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 4,-0.4 0.904 111.1 46.8 -59.3 -47.1 38.6 23.8 12.7 89 87 A K H ><5S+ 0 0 174 -4,-2.4 3,-1.6 -5,-0.2 -2,-0.2 0.945 111.5 51.0 -63.4 -44.9 36.2 24.7 9.9 90 88 A A H 3<5S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.859 110.1 51.4 -60.4 -33.2 38.3 27.7 8.9 91 89 A A T 3<5S- 0 0 26 -4,-2.1 -23,-0.5 -5,-0.2 -1,-0.3 0.506 115.5-115.4 -80.5 -4.8 41.4 25.5 8.8 92 90 A G T < 5S+ 0 0 65 -3,-1.6 2,-0.4 -4,-0.4 -3,-0.2 0.707 73.2 131.5 72.7 23.6 39.7 22.9 6.5 93 91 A A < - 0 0 9 -5,-2.7 -1,-0.3 -6,-0.2 -22,-0.3 -0.862 61.7-115.1-107.8 144.0 39.9 20.2 9.2 94 92 A H E -d 71 0A 152 -24,-2.2 -22,-2.6 -2,-0.4 2,-0.4 -0.450 32.8-133.1 -66.0 150.0 37.0 17.9 10.3 95 93 A Y E -d 72 0A 61 -24,-0.2 2,-0.5 -2,-0.1 -22,-0.2 -0.948 18.4-169.7-119.0 125.5 35.9 18.5 13.9 96 94 A F E -d 73 0A 121 -24,-3.1 -22,-2.3 -2,-0.4 2,-1.7 -0.961 13.6-151.9-116.5 112.2 35.2 15.8 16.5 97 95 A D + 0 0 42 -2,-0.5 -24,-0.1 1,-0.2 -22,-0.1 -0.345 44.3 138.1 -88.7 58.8 33.5 17.1 19.7 98 96 A L - 0 0 41 -2,-1.7 -1,-0.2 -24,-0.2 -23,-0.2 0.960 42.3-165.4 -63.6 -52.0 34.8 14.7 22.3 99 97 A T - 0 0 0 -25,-2.0 3,-0.2 -3,-0.3 -88,-0.0 0.068 36.1 -83.5 76.9 169.7 35.5 17.4 25.0 100 98 A E S S+ 0 0 33 -24,-1.8 -85,-0.4 1,-0.3 2,-0.3 0.690 120.5 31.4 -77.8 -20.2 37.5 17.2 28.2 101 99 A D > - 0 0 24 -25,-0.3 4,-2.2 -3,-0.1 -1,-0.3 -0.860 63.7-173.7-149.9 96.2 34.5 15.7 30.2 102 100 A V H > S+ 0 0 52 -2,-0.3 4,-3.1 -3,-0.2 5,-0.2 0.841 84.3 54.9 -67.3 -37.5 32.1 13.5 28.3 103 101 A A H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.957 112.7 42.5 -64.0 -47.5 29.6 13.0 31.2 104 102 A A H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.897 115.1 49.3 -66.0 -42.2 29.2 16.8 31.7 105 103 A T H X S+ 0 0 4 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.947 109.9 52.0 -64.4 -43.5 29.1 17.5 28.0 106 104 A N H X S+ 0 0 82 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.862 108.9 50.7 -58.7 -35.5 26.5 14.8 27.5 107 105 A A H X S+ 0 0 37 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.917 111.0 48.0 -72.0 -38.5 24.4 16.4 30.3 108 106 A V H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.951 111.1 52.0 -63.1 -45.9 24.6 19.8 28.6 109 107 A R H X S+ 0 0 91 -4,-3.3 4,-1.2 1,-0.2 -2,-0.2 0.893 107.6 52.1 -55.4 -43.8 23.6 18.1 25.3 110 108 A A H X S+ 0 0 45 -4,-2.4 4,-2.8 2,-0.2 3,-0.3 0.917 108.9 50.0 -62.7 -44.9 20.6 16.5 27.1 111 109 A L H < S+ 0 0 16 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.983 106.7 54.0 -49.7 -61.8 19.5 20.0 28.4 112 110 A V H < S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.808 117.8 38.8 -43.2 -31.7 19.8 21.5 24.9 113 111 A E H < S+ 0 0 152 -4,-1.2 2,-2.2 -3,-0.3 -1,-0.2 0.740 97.3 74.5 -96.4 -29.1 17.5 18.7 23.7 114 112 A D < 0 0 119 -4,-2.8 -1,-0.2 -3,-0.3 -2,-0.1 -0.302 360.0 360.0 -76.0 54.1 15.1 18.6 26.7 115 113 A S 0 0 88 -2,-2.2 -2,-0.1 -3,-0.2 -3,-0.1 -0.088 360.0 360.0-138.6 360.0 13.7 21.8 25.2 116 !* 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 0.0 117 1 B X 0 0 198 0, 0.0 3,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 -60.1 41.9 23.3 38.9 118 2 B R - 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0 0 89 -2,-0.3 3,-2.3 3,-0.3 7,-0.3 -0.959 5.3-159.9-120.4 113.4 22.2 44.8 36.2 170 54 B A T 3 S+ 0 0 26 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.695 93.8 62.4 -67.5 -16.0 22.4 44.2 32.5 171 55 B K T 3 S+ 0 0 193 1,-0.2 2,-0.9 -3,-0.0 -1,-0.3 0.651 92.1 70.5 -77.0 -13.1 21.7 47.9 32.0 172 56 B D <> + 0 0 82 -3,-2.3 4,-2.3 1,-0.2 -3,-0.3 -0.820 63.6 179.0-108.7 96.8 25.0 48.7 33.8 173 57 B E H > S+ 0 0 80 -2,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.867 78.2 47.3 -71.1 -37.8 27.6 47.6 31.4 174 58 B A H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 115.0 49.3 -68.8 -43.6 30.7 48.6 33.4 175 59 B G H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.880 109.3 51.4 -58.9 -41.1 29.1 46.9 36.4 176 60 B L H X S+ 0 0 2 -4,-2.3 4,-1.5 -7,-0.3 -2,-0.2 0.945 109.3 50.2 -67.0 -44.1 28.4 43.8 34.4 177 61 B A H < S+ 0 0 21 -4,-2.3 -1,-0.2 2,-0.2 4,-0.2 0.878 112.3 46.2 -56.4 -43.7 31.9 43.5 33.2 178 62 B K H >< S+ 0 0 178 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.922 110.5 54.5 -67.4 -43.8 33.4 43.9 36.7 179 63 B A H 3< S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.786 108.0 49.8 -59.5 -28.5 30.9 41.3 38.0 180 64 B L T >< S+ 0 0 0 -4,-1.5 3,-1.2 -5,-0.1 -1,-0.3 0.430 85.5 118.8 -93.3 3.0 32.1 38.9 35.3 181 65 B G T < + 0 0 35 -3,-1.7 25,-0.1 1,-0.2 3,-0.1 -0.390 69.0 29.4 -65.5 142.6 35.8 39.4 36.2 182 66 B G T 3 S+ 0 0 70 23,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.468 91.1 119.9 88.2 1.5 37.6 36.3 37.5 183 67 B F < - 0 0 19 -3,-1.2 -1,-0.3 22,-0.2 -62,-0.2 -0.815 55.2-152.6 -99.5 139.7 35.6 33.8 35.4 184 68 B D S S+ 0 0 63 -64,-2.1 24,-2.5 -2,-0.4 2,-0.3 0.836 84.4 8.3 -71.5 -33.4 37.0 31.4 32.8 185 69 B A E -fh 121 208B 0 -65,-1.8 -63,-2.5 22,-0.3 2,-0.4 -0.997 59.9-148.3-151.1 149.0 33.7 31.4 31.0 186 70 B V E -fh 122 209B 0 22,-3.2 24,-2.4 -2,-0.3 2,-0.5 -0.988 13.4-163.6-116.4 126.6 30.3 33.0 30.9 187 71 B I E -fh 123 210B 0 -65,-2.3 -63,-2.7 -2,-0.4 2,-0.5 -0.952 15.7-137.0-106.6 124.6 27.2 31.1 29.9 188 72 B S E +f 124 0B 0 22,-2.2 25,-2.0 -2,-0.5 24,-0.2 -0.698 30.4 166.6 -75.9 130.9 24.0 33.0 29.0 189 73 B A + 0 0 3 -65,-3.3 -62,-0.5 -2,-0.5 -59,-0.3 -0.184 54.0 103.0-124.6 35.7 20.9 31.6 30.4 190 74 B A S S- 0 0 5 1,-0.2 24,-2.0 -64,-0.1 25,-0.3 -0.590 85.6 -71.2-111.6 168.3 19.1 34.8 29.4 191 75 B P > - 0 0 26 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.293 48.9-111.4 -57.4 152.1 16.8 35.8 26.6 192 76 B F G > S+ 0 0 92 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.783 113.5 69.4 -54.4 -32.0 18.5 36.1 23.1 193 77 B F G 3 S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.657 95.3 54.0 -68.2 -11.2 18.1 39.8 23.2 194 78 B L G <> S+ 0 0 40 -3,-2.4 4,-3.0 1,-0.1 3,-0.3 0.485 80.9 97.1 -94.4 -4.4 20.6 40.2 26.0 195 79 B T H <> S+ 0 0 26 -3,-1.7 4,-3.4 -4,-0.3 5,-0.3 0.909 81.1 48.4 -53.5 -51.3 23.3 38.3 24.1 196 80 B P H > S+ 0 0 90 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.889 114.6 46.9 -60.7 -33.0 25.2 41.2 22.7 197 81 B I H > S+ 0 0 48 -3,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.947 116.5 43.0 -71.0 -46.8 25.3 42.9 26.1 198 82 B I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.930 113.3 52.1 -65.1 -42.0 26.4 39.7 27.9 199 83 B A H X S+ 0 0 30 -4,-3.4 4,-2.4 -5,-0.3 -1,-0.2 0.879 110.0 49.4 -61.8 -38.2 28.9 38.9 25.2 200 84 B K H X S+ 0 0 119 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.930 112.0 47.1 -68.4 -43.7 30.5 42.4 25.4 201 85 B A H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.921 112.5 50.6 -60.8 -47.2 30.8 42.2 29.2 202 86 B A H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 4,-0.3 0.926 111.0 47.6 -58.3 -47.7 32.3 38.7 29.0 203 87 B K H ><5S+ 0 0 173 -4,-2.4 3,-1.5 3,-0.2 -1,-0.2 0.927 111.4 51.2 -61.9 -41.4 34.9 39.8 26.5 204 88 B A H 3<5S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.921 111.2 48.7 -62.2 -39.5 35.7 42.9 28.6 205 89 B A T 3<5S- 0 0 26 -4,-2.7 -23,-0.5 -5,-0.1 -1,-0.3 0.437 116.3-116.3 -77.4 -3.2 36.2 40.6 31.6 206 90 B G T < 5S+ 0 0 31 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.744 70.1 135.9 71.6 26.3 38.4 38.2 29.6 207 91 B A < - 0 0 8 -5,-2.8 -22,-0.3 -6,-0.2 -1,-0.3 -0.807 59.8-113.0-104.5 144.5 36.0 35.3 29.9 208 92 B H E -h 185 0B 29 -24,-2.5 -22,-3.2 -2,-0.3 2,-0.4 -0.457 34.1-136.1 -67.1 148.6 35.0 33.0 27.1 209 93 B Y E -h 186 0B 53 -24,-0.2 2,-0.5 -2,-0.1 -22,-0.2 -0.936 18.8-172.1-118.9 133.8 31.3 33.4 26.1 210 94 B F E -h 187 0B 31 -24,-2.4 -22,-2.2 -2,-0.4 2,-1.7 -0.960 14.4-151.1-130.9 112.7 28.8 30.5 25.5 211 95 B D + 0 0 43 -2,-0.5 -24,-0.1 1,-0.2 -22,-0.1 -0.393 43.1 139.2 -90.2 58.4 25.5 31.6 24.1 212 96 B L - 0 0 13 -2,-1.7 -1,-0.2 -24,-0.2 3,-0.2 0.932 40.0-168.1 -60.5 -50.7 23.1 29.0 25.4 213 97 B T - 0 0 0 -25,-2.0 3,-0.3 -3,-0.3 -88,-0.0 0.103 39.2 -76.0 71.6 170.0 20.3 31.4 26.3 214 98 B E S S+ 0 0 101 -24,-2.0 -85,-0.3 1,-0.3 2,-0.2 0.567 122.4 24.7 -72.5 -14.6 17.1 30.8 28.3 215 99 B D > - 0 0 70 -25,-0.3 4,-2.6 -3,-0.2 -1,-0.3 -0.723 62.2-167.3-162.5 96.6 15.4 28.9 25.4 216 100 B V H > S+ 0 0 14 -3,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.872 90.1 52.8 -61.8 -39.5 17.4 27.2 22.8 217 101 B A H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 112.2 45.5 -61.1 -46.6 14.5 26.6 20.4 218 102 B A H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.911 114.3 48.7 -63.4 -42.3 13.5 30.3 20.5 219 103 B T H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.912 109.4 52.1 -70.7 -41.1 17.1 31.5 20.0 220 104 B N H X S+ 0 0 78 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.900 104.6 55.4 -59.0 -43.8 17.7 29.1 17.1 221 105 B A H X S+ 0 0 62 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.937 110.0 47.3 -55.1 -42.4 14.6 30.4 15.3 222 106 B V H X S+ 0 0 46 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.936 112.0 49.4 -66.5 -41.9 16.0 33.9 15.6 223 107 B R H X S+ 0 0 95 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.929 111.4 50.1 -59.2 -45.5 19.4 32.7 14.4 224 108 B A H X S+ 0 0 46 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.888 110.4 50.0 -58.0 -45.3 17.7 31.0 11.4 225 109 B L H X S+ 0 0 111 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.933 106.2 54.4 -59.7 -47.8 15.8 34.2 10.6 226 110 B V H < S+ 0 0 68 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.921 114.3 43.6 -55.8 -42.0 18.9 36.3 10.6 227 111 B E H >X S+ 0 0 113 -4,-1.9 3,-2.1 1,-0.2 4,-0.7 0.967 111.2 50.4 -66.0 -53.4 20.4 33.8 8.1 228 112 B D H 3< S+ 0 0 107 -4,-3.1 3,-0.5 1,-0.3 -1,-0.2 0.737 100.0 67.3 -58.9 -28.6 17.3 33.5 5.8 229 113 B S T 3< S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.687 105.2 42.3 -64.8 -20.0 17.1 37.3 5.6 230 114 B Q T <4 0 0 133 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.578 360.0 360.0 -98.1 -8.4 20.4 37.3 3.7 231 115 B T < 0 0 149 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.0 0.179 360.0 360.0-152.6 360.0 19.2 34.3 1.6