==== 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 LYASE 08-MAR-07 2P3E . COMPND 2 MOLECULE: DIAMINOPIMELATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.ZHU,J.T.SWINDELL II,L.CHEN,A.EBIHARA,A.SHINKAI,S.KURAMITSU . 801 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 12.0 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 . 8 1.0 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 . 1 0.1 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 . 77 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 2 6 0 0 3 8 0 0 1 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 12 0 2 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 . 3 2 2 7 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 0 2 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 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 E >> 0 0 143 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 124.9 49.5 60.9 19.7 2 3 A L H >> + 0 0 62 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.839 360.0 55.7 -49.2 -49.3 51.2 57.7 18.4 3 4 A L H >> S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.902 109.5 46.3 -49.4 -48.5 53.9 57.6 21.2 4 5 A K H <4 S+ 0 0 75 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.698 101.7 65.3 -76.2 -19.9 51.2 57.6 23.9 5 6 A E H << S+ 0 0 95 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.821 107.3 43.9 -63.3 -36.3 49.2 54.9 22.1 6 7 A Y H << S- 0 0 3 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.1 0.961 143.6 -13.7 -69.9 -53.5 52.1 52.6 22.8 7 8 A N >< - 0 0 1 -4,-1.9 3,-1.9 -5,-0.1 -1,-0.3 -0.880 56.1-151.0-155.7 115.6 52.6 53.8 26.4 8 9 A P T 3 S+ 0 0 64 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.600 95.3 66.5 -68.0 -11.0 51.0 56.9 27.9 9 10 A Y T 3 S+ 0 0 76 -5,-0.1 11,-2.1 11,-0.1 12,-0.4 0.438 84.8 91.5 -87.8 -0.0 53.9 57.4 30.4 10 11 A L E < +A 19 0A 1 -3,-1.9 2,-0.3 9,-0.2 9,-0.2 -0.783 51.9 153.5 -92.7 138.0 56.2 58.1 27.4 11 12 A E E -A 18 0A 60 7,-2.0 7,-3.3 -2,-0.4 2,-0.5 -0.987 42.0-122.0-156.2 153.6 56.7 61.7 26.3 12 13 A Y E -A 17 0A 68 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.897 24.6-169.2 -92.7 127.5 59.1 64.1 24.6 13 14 A R E > S-A 16 0A 107 3,-3.2 3,-0.8 -2,-0.5 -2,-0.0 -0.948 76.4 -23.3-116.6 107.2 60.1 67.1 26.8 14 15 A D T 3 S- 0 0 178 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.918 130.0 -47.0 59.6 45.0 62.1 69.7 24.8 15 16 A G T 3 S+ 0 0 22 1,-0.2 301,-1.8 300,-0.1 2,-0.4 0.585 117.8 115.4 71.7 11.9 63.1 67.0 22.2 16 17 A E E < -AB 13 315A 42 -3,-0.8 -3,-3.2 299,-0.2 2,-0.4 -0.949 65.9-125.8-114.5 131.9 64.1 64.6 25.0 17 18 A L E -A 12 0A 0 297,-2.7 7,-2.7 -2,-0.4 8,-0.6 -0.607 31.2-175.3 -79.5 130.4 62.4 61.2 25.5 18 19 A F E -AC 11 23A 33 -7,-3.3 -7,-2.0 -2,-0.4 2,-0.4 -0.911 16.3-160.2-121.7 147.4 61.1 60.6 29.1 19 20 A I E > S-AC 10 22A 0 3,-2.8 3,-1.8 -2,-0.3 -9,-0.2 -0.992 81.7 -18.1-127.6 126.8 59.4 57.6 30.7 20 21 A E T 3 S- 0 0 12 -11,-2.1 360,-2.8 -2,-0.4 361,-0.1 0.869 130.5 -50.5 45.1 41.5 57.4 58.2 33.9 21 22 A G T 3 S+ 0 0 27 -12,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.539 116.1 111.7 82.2 6.1 59.2 61.6 34.4 22 23 A V E < -C 19 0A 16 -3,-1.8 -3,-2.8 359,-0.1 2,-0.3 -0.943 69.9-118.5-114.9 134.5 62.7 60.2 34.0 23 24 A S E > -C 18 0A 6 -2,-0.4 4,-1.9 -5,-0.2 -5,-0.3 -0.516 10.7-151.1 -69.7 130.3 65.0 61.1 30.9 24 25 A L H > S+ 0 0 0 -7,-2.7 4,-2.9 -2,-0.3 5,-0.2 0.819 98.7 57.5 -69.1 -32.4 66.0 58.0 28.9 25 26 A K H > S+ 0 0 58 -8,-0.6 4,-2.7 2,-0.2 5,-0.2 0.945 108.7 45.7 -61.6 -46.1 69.2 59.8 27.9 26 27 A E H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.897 112.8 50.4 -62.5 -41.0 70.0 60.2 31.5 27 28 A L H X S+ 0 0 5 -4,-1.9 4,-3.1 2,-0.2 5,-0.4 0.938 112.0 47.2 -61.5 -48.0 69.1 56.5 32.2 28 29 A A H X S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.899 114.9 46.5 -58.3 -44.8 71.3 55.4 29.3 29 30 A Q H < S+ 0 0 117 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.880 119.2 41.2 -64.4 -38.3 74.2 57.5 30.4 30 31 A T H < S+ 0 0 103 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.918 129.5 23.0 -80.3 -46.7 73.8 56.4 34.0 31 32 A F H < S- 0 0 56 -4,-3.1 342,-0.2 1,-0.2 -3,-0.2 0.521 103.9-129.1-101.4 -8.1 73.2 52.6 33.7 32 33 A G < - 0 0 26 -4,-1.5 -1,-0.2 -5,-0.4 243,-0.1 -0.108 36.3 -44.0 84.3 172.9 74.7 52.1 30.2 33 34 A T S S+ 0 0 22 -4,-0.1 2,-0.2 2,-0.1 243,-0.2 -0.926 104.1 51.1-131.6 154.6 73.3 50.4 27.1 34 35 A P S S+ 0 0 15 0, 0.0 339,-0.9 0, 0.0 2,-0.4 0.542 82.2 172.2 -61.5 148.5 71.7 48.0 26.1 35 36 A L E -De 275 373B 0 240,-2.2 240,-3.5 337,-0.2 2,-0.6 -0.982 30.2-150.6-140.2 127.0 69.2 48.9 28.7 36 37 A Y E -De 274 374B 0 337,-2.3 339,-2.5 -2,-0.4 2,-0.5 -0.838 20.1-168.9 -92.4 123.8 65.7 47.5 29.4 37 38 A V E -De 273 375B 0 236,-2.9 236,-2.2 -2,-0.6 2,-0.4 -0.971 0.7-165.6-120.6 126.2 63.5 50.2 31.0 38 39 A Y E -De 272 376B 0 337,-3.1 339,-3.0 -2,-0.5 2,-0.6 -0.885 17.5-134.5-116.4 140.8 60.1 49.4 32.5 39 40 A S E > - e 0 377B 0 232,-2.4 4,-1.8 -2,-0.4 339,-0.2 -0.828 10.6-162.3 -90.0 115.4 57.2 51.6 33.6 40 41 A S H > S+ 0 0 0 337,-2.9 4,-2.3 -2,-0.6 338,-0.2 0.912 90.9 48.3 -62.5 -44.9 55.8 50.6 37.0 41 42 A N H > S+ 0 0 45 336,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.798 106.6 56.4 -71.7 -28.4 52.5 52.4 36.6 42 43 A F H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.965 109.5 46.6 -61.9 -49.9 51.9 51.0 33.1 43 44 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.923 115.1 45.8 -57.1 -50.6 52.2 47.4 34.5 44 45 A K H X S+ 0 0 65 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.955 113.2 50.1 -57.6 -49.8 49.9 48.3 37.5 45 46 A E H X S+ 0 0 70 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.885 110.8 49.0 -58.1 -42.7 47.4 50.0 35.1 46 47 A R H X S+ 0 0 26 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.897 112.9 46.7 -65.6 -41.8 47.3 47.0 32.7 47 48 A F H >X S+ 0 0 1 -4,-2.2 4,-1.8 -5,-0.2 3,-0.6 0.941 112.4 50.7 -61.9 -47.2 46.7 44.5 35.6 48 49 A E H 3X S+ 0 0 56 -4,-2.9 4,-2.8 1,-0.3 5,-0.2 0.827 100.4 63.8 -63.9 -31.1 44.0 46.8 37.0 49 50 A A H 3X S+ 0 0 27 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.3 0.903 105.6 46.0 -57.0 -42.1 42.3 47.0 33.6 50 51 A Y H < S+ 0 0 17 -4,-2.2 3,-2.0 -5,-0.1 -1,-0.2 -0.587 71.1 170.6-131.2 67.3 36.6 41.0 35.3 55 56 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.702 79.3 41.9 -60.1 -23.4 36.0 41.8 39.0 56 57 A D T 3 S+ 0 0 141 2,-0.1 203,-0.3 0, 0.0 2,-0.2 0.344 97.2 99.0-103.7 4.5 35.2 38.3 40.1 57 58 A A S < S- 0 0 14 -3,-2.0 2,-0.5 -7,-0.2 203,-0.2 -0.547 73.6-120.5 -91.4 154.8 38.0 36.5 38.1 58 59 A L E -i 260 0C 19 201,-2.5 203,-2.3 -2,-0.2 2,-0.8 -0.863 25.1-151.0 -88.8 127.6 41.4 35.3 39.1 59 60 A I E -i 261 0C 4 -2,-0.5 22,-3.2 20,-0.3 2,-0.7 -0.864 11.7-168.5-104.6 103.6 44.0 37.1 37.0 60 61 A C E -j 81 0C 0 201,-3.1 22,-0.3 -2,-0.8 2,-0.2 -0.846 18.5-134.5 -98.3 111.9 47.1 34.9 36.7 61 62 A Y E -j 82 0C 0 20,-2.0 22,-2.7 -2,-0.7 2,-1.2 -0.419 19.2-125.8 -60.7 127.1 50.1 36.7 35.3 62 63 A A E > -j 83 0C 1 201,-2.4 3,-2.0 20,-0.2 4,-0.3 -0.661 21.9-163.2 -80.4 99.1 51.8 34.5 32.6 63 64 A V G > S+ 0 0 0 20,-1.6 3,-1.4 -2,-1.2 -1,-0.2 0.745 77.6 78.2 -60.9 -24.8 55.3 34.4 33.9 64 65 A K G 3 S+ 0 0 22 19,-0.5 708,-0.3 1,-0.2 -1,-0.3 0.800 85.6 63.1 -51.1 -31.5 56.7 33.2 30.6 65 66 A A G < S- 0 0 0 -3,-2.0 293,-2.2 1,-0.3 294,-0.6 0.799 125.8 -7.2 -68.1 -29.6 56.4 36.8 29.2 66 67 A N < - 0 0 2 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.0 -0.749 53.5-167.7-174.8 117.2 59.0 38.2 31.8 67 68 A F + 0 0 4 -2,-0.2 -3,-0.1 -3,-0.2 -4,-0.1 0.283 38.0 137.0 -97.9 6.9 60.6 36.5 34.7 68 69 A N >> - 0 0 2 1,-0.2 4,-2.3 -5,-0.1 3,-0.7 -0.396 50.2-143.8 -57.5 119.5 62.2 39.5 36.6 69 70 A P H 3> S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.782 97.9 55.2 -62.7 -28.0 61.4 38.7 40.3 70 71 A H H 3> S+ 0 0 52 315,-0.3 4,-1.7 2,-0.2 -2,-0.1 0.821 110.1 46.9 -71.2 -31.6 60.8 42.4 41.1 71 72 A L H <> S+ 0 0 0 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.900 112.3 48.5 -75.9 -40.0 58.2 42.6 38.3 72 73 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.901 111.9 50.4 -64.6 -40.5 56.5 39.4 39.4 73 74 A K H X S+ 0 0 101 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.882 105.7 56.8 -63.4 -40.6 56.4 40.7 43.0 74 75 A L H X S+ 0 0 13 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.935 112.7 40.6 -51.6 -51.7 54.9 44.0 41.8 75 76 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.0 1,-0.2 3,-1.1 0.900 110.7 58.5 -66.0 -41.0 52.0 42.1 40.2 76 77 A G H ><5S+ 0 0 13 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.834 101.3 56.0 -56.4 -37.3 51.8 39.7 43.3 77 78 A E H 3<5S+ 0 0 141 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.691 101.8 56.1 -72.9 -18.8 51.2 42.7 45.6 78 79 A L T <<5S- 0 0 49 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.400 129.9 -96.0 -89.2 0.3 48.2 43.7 43.5 79 80 A G T < 5 + 0 0 29 -3,-1.3 -20,-0.3 1,-0.2 -3,-0.2 0.565 69.9 160.3 95.1 13.4 46.7 40.2 44.0 80 81 A A < - 0 0 0 -5,-2.0 -1,-0.2 -6,-0.1 -20,-0.2 -0.349 28.5-146.2 -63.9 144.4 47.9 38.7 40.8 81 82 A G E -j 60 0C 0 -22,-3.2 -20,-2.0 17,-0.1 2,-0.4 -0.250 19.2-115.0 -87.7-169.9 48.1 34.9 40.4 82 83 A A E -jk 61 103C 0 20,-2.4 22,-2.3 -22,-0.3 2,-0.7 -0.983 12.2-159.0-137.9 120.4 50.8 33.1 38.4 83 84 A D E -jk 62 104C 7 -22,-2.7 -20,-1.6 -2,-0.4 -19,-0.5 -0.922 31.4-173.6 -93.5 111.1 50.3 31.0 35.3 84 85 A I E - k 0 105C 0 20,-3.1 22,-2.7 -2,-0.7 3,-0.1 -0.771 31.5-176.4-112.3 152.0 53.5 28.9 35.3 85 86 A V S S+ 0 0 2 -2,-0.3 2,-0.3 20,-0.2 24,-0.2 0.277 70.6 31.4-127.0 5.8 55.1 26.5 32.8 86 87 A S S > S- 0 0 0 1,-0.1 4,-1.8 24,-0.1 -1,-0.1 -0.979 79.0-107.2-154.6 166.4 58.1 25.3 34.8 87 88 A G H > S+ 0 0 3 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.789 119.7 57.7 -64.0 -31.2 59.6 24.6 38.2 88 89 A G H > S+ 0 0 0 684,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.871 106.7 48.0 -66.6 -37.8 61.7 27.7 37.8 89 90 A E H > S+ 0 0 1 683,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.845 110.1 51.9 -70.0 -35.4 58.5 29.8 37.3 90 91 A L H X S+ 0 0 5 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.949 110.1 49.4 -58.9 -51.9 57.0 28.1 40.4 91 92 A Y H X S+ 0 0 54 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.906 112.8 48.4 -50.8 -47.1 60.2 29.0 42.4 92 93 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.923 110.9 48.1 -63.6 -49.5 59.9 32.6 41.1 93 94 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.924 114.2 47.6 -58.6 -46.4 56.1 32.9 41.9 94 95 A K H ><5S+ 0 0 103 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.920 111.0 50.8 -58.6 -47.5 56.8 31.6 45.4 95 96 A K H 3<5S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.875 108.1 54.2 -56.4 -40.7 59.8 33.9 45.9 96 97 A A T 3<5S- 0 0 10 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.529 120.0-111.0 -72.9 -9.5 57.5 36.8 44.8 97 98 A G T < 5 + 0 0 56 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.636 64.6 149.8 86.1 15.2 54.9 35.9 47.5 98 99 A I < - 0 0 4 -5,-2.4 -1,-0.3 -6,-0.2 -17,-0.1 -0.718 47.1-125.1 -76.8 122.7 52.2 34.6 45.2 99 100 A P > - 0 0 28 0, 0.0 3,-2.1 0, 0.0 -17,-0.2 -0.382 14.9-115.0 -72.4 153.1 50.3 31.9 47.2 100 101 A P G > S+ 0 0 40 0, 0.0 3,-2.0 0, 0.0 24,-1.8 0.781 112.1 67.4 -54.6 -33.9 49.9 28.4 45.8 101 102 A E G 3 S+ 0 0 120 1,-0.3 22,-0.1 22,-0.2 -20,-0.1 0.560 103.2 47.0 -68.8 -6.7 46.1 28.8 45.6 102 103 A R G < S+ 0 0 78 -3,-2.1 -20,-2.4 -22,-0.1 2,-0.5 0.190 94.8 98.4-113.5 15.6 46.7 31.4 42.9 103 104 A I E < -k 82 0C 1 -3,-2.0 21,-1.3 -22,-0.2 22,-1.1 -0.902 46.4-177.8-109.2 126.6 49.1 29.3 40.9 104 105 A V E -kl 83 125C 0 -22,-2.3 -20,-3.1 -2,-0.5 2,-0.6 -0.955 15.2-147.3-119.3 143.2 48.2 27.3 37.8 105 106 A Y E +kl 84 126C 0 20,-2.1 22,-2.7 -2,-0.4 -20,-0.2 -0.923 24.2 170.2-120.2 107.6 50.7 25.1 35.9 106 107 A A + 0 0 4 -22,-2.7 3,-0.2 -2,-0.6 22,-0.1 -0.459 28.8 44.4-105.5 177.4 50.4 24.7 32.2 107 108 A G S S- 0 0 0 20,-0.3 22,-0.3 1,-0.2 626,-0.1 -0.094 84.3 -78.9 85.7-178.3 52.4 23.3 29.3 108 109 A V S S+ 0 0 3 624,-0.3 2,-1.9 623,-0.1 -1,-0.2 0.403 93.2 105.2-104.3 -0.9 54.4 20.1 28.6 109 110 A G + 0 0 1 623,-0.7 2,-0.3 -24,-0.2 -22,-0.1 -0.550 47.1 131.4 -80.5 73.9 57.5 21.2 30.5 110 111 A K + 0 0 2 -2,-1.9 -1,-0.1 -24,-0.1 -24,-0.1 -0.724 30.3 178.0-139.5 80.4 56.8 18.9 33.4 111 112 A T > - 0 0 30 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.268 47.2-100.7 -72.3 166.8 59.6 16.7 34.7 112 113 A E H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.921 123.7 47.4 -55.9 -46.1 59.2 14.4 37.7 113 114 A K H > S+ 0 0 161 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 111.4 49.2 -62.9 -47.2 60.9 16.9 40.0 114 115 A E H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 114.3 45.9 -60.3 -47.4 59.0 19.9 38.8 115 116 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.872 110.5 53.4 -62.6 -41.1 55.6 18.1 39.2 116 117 A T H X S+ 0 0 44 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.954 110.7 46.9 -59.2 -49.3 56.6 16.8 42.7 117 118 A D H X S+ 0 0 72 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.904 114.4 47.2 -57.9 -43.4 57.4 20.3 43.9 118 119 A A H <>S+ 0 0 0 -4,-2.1 5,-1.4 2,-0.2 4,-0.5 0.911 114.0 45.5 -70.9 -43.7 54.1 21.7 42.4 119 120 A V H ><5S+ 0 0 2 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.961 114.2 49.4 -59.5 -51.5 51.9 18.9 43.9 120 121 A D H 3<5S+ 0 0 85 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.845 107.6 55.8 -56.6 -35.8 53.7 19.2 47.2 121 122 A S T 3<5S- 0 0 19 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.583 107.0-131.1 -71.7 -13.4 53.1 23.0 47.0 122 123 A E T < 5 - 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0 0 0 -4,-2.2 3,-2.1 3,-0.1 -1,-0.3 -0.907 56.4-148.9-155.8 116.0 81.7 11.1 14.7 410 9 B P T 3 S+ 0 0 70 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.587 97.6 65.5 -72.8 -4.1 84.0 8.0 14.6 411 10 B Y T 3 S+ 0 0 65 -6,-0.1 11,-1.9 -5,-0.1 12,-0.4 0.452 85.6 91.8 -89.5 -1.8 84.1 8.0 18.4 412 11 B L E < +W 421 0H 2 -3,-2.1 2,-0.3 9,-0.2 9,-0.2 -0.770 51.6 146.9 -91.9 135.9 80.4 7.1 18.5 413 12 B E E -W 420 0H 57 7,-2.0 7,-2.8 -2,-0.4 2,-0.4 -0.972 45.0-118.7-161.6 151.0 79.3 3.5 18.5 414 13 B Y E -W 419 0H 68 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.777 24.0-168.5 -85.3 135.9 76.7 1.1 19.8 415 14 B R E > S-W 418 0H 115 3,-2.8 3,-1.1 -2,-0.4 -2,-0.0 -0.946 76.0 -25.3-126.0 106.9 78.0 -1.6 22.1 416 15 B D T 3 S- 0 0 168 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.900 130.0 -44.7 54.7 45.5 75.3 -4.4 22.7 417 16 B G T 3 S+ 0 0 25 1,-0.2 302,-2.3 301,-0.1 2,-0.4 0.432 118.3 111.3 84.0 0.8 72.4 -1.9 22.0 418 17 B E E < -WX 415 718H 44 -3,-1.1 -3,-2.8 300,-0.2 2,-0.3 -0.920 66.8-125.0-114.5 132.1 73.9 0.9 24.1 419 18 B L E -W 414 0H 0 298,-2.7 7,-2.5 -2,-0.4 8,-0.6 -0.551 31.3-177.4 -77.9 131.6 75.3 4.2 22.7 420 19 B F E -WY 413 425H 38 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.4 -0.935 16.8-161.5-124.6 150.4 78.9 5.1 23.7 421 20 B I E > S-WY 412 424H 0 3,-2.5 3,-1.6 -2,-0.3 -9,-0.2 -0.992 83.4 -15.5-131.5 126.2 81.2 8.1 23.0 422 21 B E T 3 S- 0 0 12 -11,-1.9 363,-3.2 -2,-0.4 361,-0.1 0.873 130.7 -52.5 44.5 44.4 84.9 7.6 23.4 423 22 B G T 3 S+ 0 0 28 -12,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.658 114.8 117.2 72.0 15.1 84.2 4.4 25.4 424 23 B V E < -Y 421 0H 17 -3,-1.6 -3,-2.5 362,-0.1 2,-0.2 -0.976 66.9-122.7-117.9 128.4 81.8 6.1 27.8 425 24 B S E > -Y 420 0H 23 -2,-0.5 4,-1.9 -5,-0.2 -5,-0.3 -0.476 8.8-149.9 -68.8 128.8 78.1 5.1 27.9 426 25 B L H > S+ 0 0 0 -7,-2.5 4,-2.5 -2,-0.2 5,-0.2 0.833 98.5 57.3 -66.4 -33.5 75.7 7.9 27.2 427 26 B K H > S+ 0 0 60 -8,-0.6 4,-2.6 2,-0.2 5,-0.2 0.931 107.2 47.2 -63.4 -43.9 73.1 6.3 29.5 428 27 B E H > S+ 0 0 106 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 112.1 50.0 -61.5 -44.2 75.5 6.3 32.4 429 28 B L H X S+ 0 0 6 -4,-1.9 4,-3.3 2,-0.2 5,-0.4 0.918 112.1 48.5 -58.9 -43.9 76.4 10.0 31.7 430 29 B A H X S+ 0 0 2 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.905 115.0 43.9 -62.1 -44.6 72.7 10.8 31.6 431 30 B Q H < S+ 0 0 103 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.852 120.6 42.7 -68.3 -35.7 71.9 8.9 34.9 432 31 B T H < S+ 0 0 81 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.928 129.1 22.3 -75.8 -49.2 75.0 10.4 36.5 433 32 B F H < S- 0 0 56 -4,-3.3 -3,-0.2 -5,-0.2 345,-0.2 0.515 103.8-126.3-103.2 -7.9 74.9 14.1 35.4 434 33 B G < - 0 0 26 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.076 37.4 -46.3 84.9 170.3 71.2 14.5 34.5 435 34 B T S S+ 0 0 23 -4,-0.1 2,-0.2 2,-0.1 244,-0.1 -0.920 104.4 51.2-126.3 156.7 69.5 15.7 31.3 436 35 B P S S+ 0 0 15 0, 0.0 342,-0.9 0, 0.0 2,-0.4 0.586 81.6 172.6 -60.7 148.2 69.5 17.8 29.2 437 36 B L E -Za 678 778I 0 241,-2.2 241,-3.4 340,-0.2 2,-0.6 -0.987 29.6-150.9-138.0 123.7 73.2 17.1 28.9 438 37 B Y E -Za 677 779I 0 340,-2.5 342,-2.7 -2,-0.4 2,-0.4 -0.849 20.4-168.8 -89.5 125.5 75.8 18.4 26.3 439 38 B V E -Za 676 780I 0 237,-3.0 237,-2.6 -2,-0.6 2,-0.4 -0.967 0.8-166.0-120.9 128.1 78.5 15.8 25.8 440 39 B Y E -Za 675 781I 0 340,-2.6 342,-3.2 -2,-0.4 2,-0.7 -0.894 18.0-134.0-117.0 145.2 81.7 16.5 23.9 441 40 B S E > - a 0 782I 0 233,-2.3 4,-1.8 -2,-0.4 342,-0.2 -0.859 10.9-163.0 -95.2 115.1 84.5 14.3 22.4 442 41 B S H > S+ 0 0 0 340,-2.8 4,-2.2 -2,-0.7 5,-0.2 0.927 90.5 48.2 -60.3 -47.4 87.9 15.6 23.3 443 42 B N H > S+ 0 0 39 339,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.803 107.3 55.8 -70.9 -29.9 89.7 13.5 20.6 444 43 B F H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 109.4 46.8 -60.8 -49.3 87.2 14.6 17.9 445 44 B I H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.938 114.2 47.1 -56.7 -51.6 88.0 18.2 18.6 446 45 B K H X S+ 0 0 57 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.887 113.2 48.9 -58.3 -43.7 91.8 17.7 18.6 447 46 B E H X S+ 0 0 85 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.835 109.2 51.1 -71.4 -36.1 91.6 15.6 15.4 448 47 B R H X S+ 0 0 39 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.901 113.2 46.6 -62.8 -43.7 89.5 18.2 13.5 449 48 B F H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 3,-0.4 0.914 111.8 50.5 -62.1 -45.1 92.0 20.9 14.5 450 49 B E H X S+ 0 0 84 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.802 102.3 61.5 -65.9 -31.3 94.9 18.7 13.6 451 50 B A H X S+ 0 0 36 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.885 106.6 46.0 -59.0 -40.4 93.3 18.0 10.2 452 51 B Y H X S+ 0 0 5 -4,-1.2 4,-2.8 -3,-0.4 -2,-0.2 0.914 112.5 50.5 -66.0 -45.1 93.5 21.8 9.5 453 52 B R H < S+ 0 0 69 -4,-2.0 -2,-0.2 2,-0.2 6,-0.2 0.899 113.7 44.6 -59.8 -44.4 97.1 21.9 10.7 454 53 B K H < S+ 0 0 175 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.920 116.6 46.0 -67.1 -45.7 98.2 19.0 8.5 455 54 B A H < S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.843 129.0 25.4 -64.1 -37.3 96.3 20.4 5.5 456 55 B F S >< S+ 0 0 18 -4,-2.8 3,-1.6 -5,-0.1 -1,-0.3 -0.643 72.0 169.2-128.4 70.8 97.6 24.0 6.0 457 56 B P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.671 79.2 43.6 -63.1 -18.6 101.0 23.5 7.9 458 57 B D T 3 S+ 0 0 136 2,-0.1 2,-0.2 0, 0.0 204,-0.2 0.430 97.8 98.8-105.1 0.2 102.1 27.1 7.5 459 58 B A S < S- 0 0 3 -3,-1.6 2,-0.6 -6,-0.2 204,-0.2 -0.533 74.1-121.7 -89.3 151.7 98.7 28.7 8.3 460 59 B L E -e 663 0J 8 202,-2.4 204,-2.3 -2,-0.2 2,-0.8 -0.829 25.9-151.4 -85.2 120.9 97.4 30.3 11.5 461 60 B I E -e 664 0J 0 -2,-0.6 22,-3.0 20,-0.3 2,-0.7 -0.840 11.6-166.6 -98.2 103.9 94.3 28.3 12.5 462 61 B C E -f 483 0J 0 202,-3.3 22,-0.3 -2,-0.8 2,-0.2 -0.825 16.8-134.7 -95.5 112.7 92.0 30.7 14.4 463 62 B Y E -f 484 0J 1 20,-2.4 22,-2.9 -2,-0.7 2,-1.2 -0.454 18.7-126.0 -64.6 127.4 89.2 28.9 16.2 464 63 B A E > -f 485 0J 2 202,-2.2 3,-2.0 20,-0.2 4,-0.3 -0.666 21.9-163.6 -78.3 97.4 85.9 30.8 15.7 465 64 B V G > S+ 0 0 0 20,-1.6 3,-1.2 -2,-1.2 -1,-0.2 0.749 77.9 77.0 -58.2 -26.5 84.9 31.3 19.3 466 65 B K G 3 S+ 0 0 22 19,-0.5 -99,-0.3 1,-0.2 -1,-0.3 0.779 85.9 63.4 -53.2 -29.6 81.3 32.1 18.3 467 66 B A G < S- 0 0 0 -3,-2.0 296,-2.6 1,-0.3 297,-0.6 0.830 125.9 -8.6 -66.3 -34.1 80.6 28.4 17.7 468 67 B N < - 0 0 2 -3,-1.2 -1,-0.3 -4,-0.3 294,-0.0 -0.788 53.9-168.0-171.5 117.9 81.2 27.4 21.4 469 68 B F + 0 0 4 -2,-0.2 -3,-0.1 -3,-0.2 -4,-0.1 0.256 37.4 137.8 -99.3 9.8 82.5 29.5 24.3 470 69 B N > - 0 0 1 1,-0.2 4,-2.3 -5,-0.1 3,-0.4 -0.405 49.8-143.8 -61.1 123.3 83.2 26.8 26.9 471 70 B P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.809 96.8 54.1 -65.7 -29.1 86.5 27.9 28.3 472 71 B H H > S+ 0 0 70 318,-0.3 4,-2.0 2,-0.2 5,-0.1 0.870 110.4 47.1 -67.9 -36.4 87.8 24.4 28.8 473 72 B L H > S+ 0 0 1 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.897 113.1 48.4 -70.2 -39.8 87.1 23.6 25.1 474 73 B V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.910 110.6 51.8 -65.4 -41.5 88.8 26.8 24.1 475 74 B K H X S+ 0 0 87 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.902 104.1 58.2 -59.3 -43.1 91.8 26.0 26.3 476 75 B L H X S+ 0 0 24 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.890 111.7 40.0 -51.0 -48.0 92.0 22.5 24.7 477 76 B L H ><>S+ 0 0 0 -4,-1.5 5,-2.2 2,-0.2 3,-1.1 0.903 111.2 57.4 -70.5 -43.7 92.4 24.2 21.2 478 77 B G H ><5S+ 0 0 10 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.847 102.2 56.0 -54.6 -36.7 94.7 26.9 22.6 479 78 B E H 3<5S+ 0 0 147 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.730 103.6 55.1 -70.8 -22.1 97.1 24.1 23.9 480 79 B L T <<5S- 0 0 56 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.471 129.9 -95.8 -85.4 -4.7 97.3 22.8 20.4 481 80 B G T < 5S+ 0 0 20 -3,-1.2 -20,-0.3 -4,-0.4 -3,-0.2 0.578 70.3 158.7 98.9 15.8 98.4 26.1 19.0 482 81 B A < - 0 0 0 -5,-2.2 -1,-0.3 -8,-0.1 -20,-0.2 -0.405 29.1-147.6 -67.2 144.4 95.0 27.4 17.9 483 82 B G E -f 462 0J 0 -22,-3.0 -20,-2.4 17,-0.1 2,-0.4 -0.291 19.5-115.2 -88.0-172.7 94.4 31.1 17.5 484 83 B A E -fg 463 505J 0 20,-2.1 22,-2.4 -22,-0.3 2,-0.7 -0.993 11.8-157.7-134.3 126.0 91.1 32.7 18.2 485 84 B D E -fg 464 506J 8 -22,-2.9 -20,-1.6 -2,-0.4 -19,-0.5 -0.931 31.4-173.8 -94.9 112.4 88.7 34.5 15.8 486 85 B I E - g 0 507J 0 20,-3.1 22,-2.9 -2,-0.7 3,-0.1 -0.771 31.7-175.2-114.3 155.3 86.7 36.7 18.1 487 86 B V S S+ 0 0 1 -2,-0.3 2,-0.3 20,-0.2 24,-0.2 0.193 70.6 28.1-129.9 13.1 83.6 39.0 17.6 488 87 B S S > S- 0 0 0 1,-0.1 4,-1.7 24,-0.1 -1,-0.1 -0.984 80.0-103.4-164.2 164.5 83.3 40.7 21.0 489 88 B G H > S+ 0 0 3 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.810 119.4 59.6 -62.8 -34.1 85.1 41.7 24.2 490 89 B G H > S+ 0 0 1 -123,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.872 105.6 46.5 -61.9 -40.1 83.6 38.7 25.9 491 90 B E H > S+ 0 0 1 -124,-0.4 4,-3.2 2,-0.2 -2,-0.2 0.835 110.1 54.2 -72.4 -32.4 85.4 36.4 23.4 492 91 B L H X S+ 0 0 5 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.954 110.3 46.8 -58.9 -51.8 88.6 38.4 23.9 493 92 B Y H X S+ 0 0 47 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.928 115.1 47.3 -53.0 -49.2 88.3 37.7 27.6 494 93 B L H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.917 111.0 48.9 -63.5 -47.0 87.6 34.1 27.0 495 94 B A H <>S+ 0 0 0 -4,-3.2 5,-2.4 1,-0.2 -1,-0.2 0.937 114.2 47.4 -59.0 -46.2 90.5 33.6 24.5 496 95 B K H ><5S+ 0 0 101 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.890 110.5 50.7 -63.7 -42.7 92.9 35.3 26.9 497 96 B K H 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 106.7 56.4 -63.0 -33.3 91.7 33.2 29.9 498 97 B A T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.392 123.4-105.7 -81.0 3.0 92.1 30.1 27.9 499 98 B G T < 5 + 0 0 50 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.530 69.4 147.2 87.6 6.6 95.8 31.0 27.3 500 99 B I < - 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0 0 32 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.319 48.2 -97.5 -74.6 165.3 81.9 49.1 21.2 514 113 B E H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.858 125.1 46.5 -53.5 -41.6 84.4 51.8 22.4 515 114 B K H > S+ 0 0 138 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.864 112.1 49.6 -68.4 -46.5 85.4 49.6 25.4 516 115 B E H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.938 114.0 45.8 -57.5 -46.2 85.8 46.4 23.4 517 116 B L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.918 112.4 50.9 -64.8 -43.9 87.9 48.2 20.8 518 117 B T H X S+ 0 0 38 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.930 111.5 48.4 -57.8 -46.9 90.0 49.9 23.6 519 118 B D H X S+ 0 0 57 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.885 113.4 46.3 -61.0 -42.6 90.6 46.5 25.2 520 119 B A H <>S+ 0 0 0 -4,-2.0 5,-1.5 2,-0.2 4,-0.4 0.898 113.3 47.8 -71.0 -41.5 91.6 44.8 21.9 521 120 B V H ><5S+ 0 0 1 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.966 114.1 48.5 -61.6 -49.9 94.0 47.6 20.9 522 121 B D H 3<5S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.842 107.3 55.4 -55.5 -37.5 95.5 47.6 24.4 523 122 B S T 3<5S- 0 0 18 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.561 106.6-131.7 -73.2 -8.2 95.8 43.8 24.1 524 123 B E T < 5 - 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