==== 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 17-JUL-06 2HOX . COMPND 2 MOLECULE: ALLIIN LYASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLIUM SATIVUM; . AUTHOR L.J.W.SHIMON,A.RABINKOV,M.WILCHECK,D.MIRELMAN,F.FROLOW . 1708 8 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1153 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 4 0.2 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 . 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 . 152 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 467 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.2 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 11 1 0 4 0 4 0 4 0 4 7 4 1 0 0 0 4 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 0 4 8 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 . 2 17 9 0 12 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 . 22 0 4 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 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 K 0 0 188 0, 0.0 2,-0.4 0, 0.0 438,-0.2 0.000 360.0 360.0 360.0 100.1 -4.8 16.5 23.7 2 2 A M + 0 0 35 437,-0.1 434,-0.1 2,-0.1 430,-0.0 -0.934 360.0 123.7-135.5 113.3 -3.9 17.5 20.1 3 3 A T S > S+ 0 0 89 -2,-0.4 3,-1.7 3,-0.0 4,-0.4 0.415 82.8 17.8-120.3 -90.9 -1.9 20.6 19.2 4 4 A W T 3 S+ 0 0 23 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.708 121.7 60.0 -67.0 -20.4 1.4 20.1 17.2 5 5 A T T 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.582 82.3 86.2 -80.7 -9.6 0.4 16.6 16.1 6 6 A M H <> S+ 0 0 74 -3,-1.7 4,-2.9 1,-0.2 5,-0.3 0.916 83.3 52.2 -63.8 -43.9 -2.7 17.7 14.3 7 7 A K H > S+ 0 0 106 -4,-0.4 4,-2.3 -3,-0.3 5,-0.2 0.969 115.0 42.5 -58.0 -49.7 -1.2 18.6 10.9 8 8 A A H > S+ 0 0 1 -4,-0.4 4,-2.1 496,-0.3 501,-0.3 0.905 114.6 50.1 -64.9 -41.3 0.5 15.2 10.5 9 9 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.947 111.3 48.5 -61.7 -46.1 -2.4 13.2 11.8 10 10 A E H X S+ 0 0 76 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.913 109.5 52.3 -63.8 -39.7 -4.8 14.9 9.4 11 11 A E H X S+ 0 0 75 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.908 108.3 52.0 -61.5 -40.9 -2.5 14.4 6.4 12 12 A A H X S+ 0 0 6 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.916 111.6 45.3 -61.7 -41.9 -2.3 10.7 7.2 13 13 A E H X S+ 0 0 1 -4,-2.3 4,-1.3 414,-0.2 -2,-0.2 0.924 110.7 54.6 -68.5 -38.3 -6.1 10.4 7.4 14 14 A A H >< S+ 0 0 57 -4,-2.7 3,-0.6 1,-0.2 4,-0.4 0.931 110.7 45.9 -61.0 -46.8 -6.5 12.4 4.2 15 15 A V H >< S+ 0 0 18 -4,-2.5 3,-1.1 1,-0.2 11,-0.4 0.902 110.3 51.3 -66.3 -38.4 -4.2 10.1 2.3 16 16 A A H 3< S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.733 106.1 58.9 -65.2 -21.6 -5.8 7.0 3.7 17 17 A N T << S+ 0 0 107 -4,-1.3 2,-0.5 -3,-0.6 -1,-0.2 0.433 76.0 112.5 -88.3 -6.7 -9.2 8.4 2.5 18 18 A I S < S- 0 0 54 -3,-1.1 2,-0.6 -4,-0.4 8,-0.3 -0.560 71.5-130.9 -65.1 117.4 -8.0 8.7 -1.2 19 19 A N + 0 0 110 -2,-0.5 20,-0.1 1,-0.2 6,-0.1 -0.611 39.6 163.6 -78.6 117.5 -10.1 6.1 -3.0 20 20 A a > - 0 0 3 -2,-0.6 3,-0.7 1,-0.6 -1,-0.2 0.025 53.1-117.4-115.1 31.1 -8.0 3.9 -5.1 21 21 A S G > - 0 0 27 1,-0.2 -1,-0.6 2,-0.2 3,-0.5 -0.247 51.9 -58.4 54.1-159.8 -10.8 1.4 -5.4 22 22 A E G 3 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 28,-0.1 0.276 135.1 67.4 -85.3 5.0 -10.2 -2.1 -4.0 23 23 A H G < S+ 0 0 42 -3,-0.7 19,-3.2 26,-0.3 2,-0.3 0.215 104.8 12.0-114.7 10.9 -7.2 -2.3 -6.4 24 24 A G E < -A 41 0A 9 -3,-0.5 -4,-0.3 17,-0.3 2,-0.3 -0.969 53.4-148.0-167.0-178.1 -4.8 0.3 -5.0 25 25 A R E -A 40 0A 26 15,-1.8 15,-3.2 -2,-0.3 2,-0.4 -0.967 14.9-130.1-160.1 158.9 -3.7 2.7 -2.2 26 26 A A - 0 0 6 -11,-0.4 2,-0.3 -2,-0.3 13,-0.1 -0.898 19.9-156.9-114.8 145.9 -2.0 6.1 -1.7 27 27 A F > - 0 0 13 11,-0.4 3,-2.0 -2,-0.4 -15,-0.0 -0.853 30.7-110.7-119.3 157.9 0.8 6.8 0.7 28 28 A L T 3 S+ 0 0 39 -2,-0.3 -1,-0.1 1,-0.3 482,-0.0 0.833 119.9 40.4 -51.3 -38.8 2.2 10.0 2.3 29 29 A D T 3 S+ 0 0 3 8,-0.0 501,-0.4 2,-0.0 -1,-0.3 0.087 87.3 132.1-102.8 24.7 5.3 9.9 0.2 30 30 A G S < S- 0 0 1 -3,-2.0 2,-0.1 1,-0.1 9,-0.1 -0.239 74.4 -75.2 -69.2 160.8 3.7 8.9 -3.1 31 31 A I - 0 0 52 7,-0.2 7,-2.8 6,-0.1 2,-0.3 -0.407 57.1-122.6 -63.0 127.6 4.5 10.7 -6.3 32 32 A I E +B 37 0B 75 5,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.570 33.8 172.6 -83.5 131.1 2.7 14.0 -6.2 33 33 A S E > S-B 36 0B 60 3,-2.5 3,-1.8 -2,-0.3 -2,-0.0 -0.978 76.2 -14.7-134.4 124.9 0.2 15.1 -8.9 34 34 A E T 3 S- 0 0 191 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.891 131.0 -51.0 50.0 41.6 -1.9 18.3 -8.5 35 35 A G T 3 S+ 0 0 64 1,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.433 122.0 84.8 82.8 1.3 -0.9 18.4 -4.8 36 36 A S E < S-B 33 0B 62 -3,-1.8 -3,-2.5 -5,-0.1 -1,-0.1 -0.982 82.2-102.3-132.7 147.0 -1.9 14.8 -3.7 37 37 A P E -B 32 0B 15 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.431 44.0-111.0 -67.0 141.3 -0.0 11.5 -3.9 38 38 A K - 0 0 112 -7,-2.8 -11,-0.4 1,-0.1 2,-0.2 -0.391 30.4-102.1 -69.2 146.5 -1.0 9.2 -6.7 39 39 A a - 0 0 23 9,-0.4 2,-0.5 -13,-0.1 -13,-0.2 -0.473 32.5-143.4 -58.6 134.2 -2.9 6.0 -6.2 40 40 A E E -A 25 0A 12 -15,-3.2 -15,-1.8 -2,-0.2 2,-0.2 -0.945 23.4-142.9-108.2 123.3 -0.4 3.0 -6.5 41 41 A b E -A 24 0A 18 -2,-0.5 -17,-0.3 -17,-0.2 3,-0.1 -0.554 7.7-112.5-100.5 149.5 -2.1 0.1 -8.2 42 42 A N > - 0 0 14 -19,-3.2 3,-2.0 -2,-0.2 -1,-0.1 -0.211 65.1 -59.8 -61.7 165.0 -2.1 -3.7 -7.9 43 43 A T T 3 S+ 0 0 38 1,-0.3 -1,-0.2 17,-0.1 3,-0.1 -0.206 124.1 9.0 -52.6 131.5 -0.6 -5.7 -10.7 44 44 A c T 3 S+ 0 0 7 1,-0.2 10,-3.0 -3,-0.1 2,-0.3 0.529 102.8 110.8 71.3 14.2 -2.4 -5.2 -14.0 45 45 A Y E < +C 53 0C 41 -3,-2.0 2,-0.3 8,-0.2 -1,-0.2 -0.863 36.3 161.0-113.5 151.9 -4.5 -2.2 -12.8 46 46 A T E +C 52 0C 66 6,-2.1 6,-2.2 -2,-0.3 3,-0.2 -0.874 21.5 84.3-153.1 178.3 -4.1 1.4 -13.9 47 47 A G S > S- 0 0 23 -2,-0.3 3,-1.3 3,-0.2 -8,-0.1 -0.249 87.8 -62.7 102.2 172.0 -6.1 4.6 -14.0 48 48 A P T 3 S+ 0 0 107 0, 0.0 -9,-0.4 0, 0.0 -1,-0.2 0.794 138.1 25.3 -68.5 -33.8 -6.6 7.4 -11.4 49 49 A D T 3 S- 0 0 59 -3,-0.2 -26,-0.3 -29,-0.1 -2,-0.1 -0.074 113.3-110.5-114.3 30.2 -8.4 5.2 -8.9 50 50 A b S < S+ 0 0 0 -3,-1.3 -3,-0.2 1,-0.1 -8,-0.1 0.688 82.5 126.9 57.6 24.7 -6.8 2.0 -10.1 51 51 A S + 0 0 64 -6,-0.1 2,-0.5 -30,-0.1 -4,-0.2 0.589 40.9 92.9 -92.6 -11.7 -10.1 0.8 -11.5 52 52 A E E -C 46 0C 108 -6,-2.2 -6,-2.1 1,-0.0 2,-0.5 -0.740 67.4-142.9 -88.4 121.8 -9.0 0.1 -15.1 53 53 A K E -C 45 0C 108 -2,-0.5 2,-0.5 -8,-0.2 -8,-0.2 -0.709 16.7-129.9 -83.9 123.5 -7.9 -3.5 -15.9 54 54 A I > - 0 0 76 -10,-3.0 3,-0.7 -2,-0.5 2,-0.2 -0.624 26.7-130.8 -71.9 119.5 -4.9 -3.6 -18.3 55 55 A Q T 3 S+ 0 0 186 -2,-0.5 -1,-0.1 1,-0.2 -11,-0.0 -0.478 85.4 16.2 -75.7 143.0 -5.9 -6.1 -21.0 56 56 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.868 89.2 152.0 66.7 38.0 -3.4 -8.8 -21.9 57 57 A c < - 0 0 27 -3,-0.7 -1,-0.2 -13,-0.1 2,-0.1 -0.878 43.5-120.5-108.6 130.7 -1.4 -8.3 -18.7 58 58 A S - 0 0 30 -2,-0.4 327,-0.2 1,-0.1 2,-0.2 -0.361 21.8-117.0 -71.4 141.8 0.6 -11.1 -17.1 59 59 A A E -d 385 0D 0 325,-2.6 327,-2.9 354,-0.2 2,-0.5 -0.481 27.2-150.3 -65.7 145.9 0.0 -12.3 -13.6 60 60 A D E +d 386 0D 55 325,-0.2 327,-0.2 -2,-0.2 -17,-0.1 -0.898 38.0 145.8-129.4 104.8 3.0 -11.7 -11.4 61 61 A V + 0 0 0 325,-2.8 342,-2.6 -2,-0.5 327,-0.3 -0.102 39.2 109.5-126.8 33.7 3.6 -14.2 -8.6 62 62 A A + 0 0 14 325,-0.3 2,-0.3 340,-0.2 326,-0.1 0.926 64.3 67.6 -74.2 -47.0 7.4 -14.2 -8.6 63 63 A S S S- 0 0 18 340,-0.1 2,-1.9 1,-0.1 342,-0.2 -0.590 73.0-137.4 -87.4 137.6 8.0 -12.4 -5.3 64 64 A G + 0 0 0 -2,-0.3 2,-0.6 2,-0.1 -1,-0.1 -0.531 48.1 152.7 -82.9 75.3 7.2 -13.6 -1.8 65 65 A D - 0 0 3 -2,-1.9 2,-2.2 1644,-0.1 3,-0.2 -0.950 44.8-138.4-111.6 110.7 5.9 -10.2 -0.8 66 66 A G > + 0 0 0 -2,-0.6 3,-1.6 184,-0.4 340,-0.2 -0.240 50.5 143.4 -73.1 51.2 3.3 -10.7 2.0 67 67 A L G > + 0 0 30 -2,-2.2 3,-1.8 1,-0.3 4,-0.4 0.658 53.6 83.9 -66.8 -17.9 0.9 -8.1 0.7 68 68 A F G 3 S+ 0 0 0 337,-2.4 3,-0.4 1,-0.3 4,-0.3 0.727 84.8 59.3 -58.2 -20.9 -2.0 -10.4 1.8 69 69 A L G <> S+ 0 0 0 -3,-1.6 4,-1.9 336,-0.3 3,-0.4 0.508 76.4 88.6 -91.4 -3.9 -1.6 -8.9 5.3 70 70 A E H <> S+ 0 0 25 -3,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.922 85.8 57.5 -56.7 -37.1 -2.4 -5.3 4.2 71 71 A E H 4 S+ 0 0 95 -3,-0.4 4,-0.4 -4,-0.4 -1,-0.2 0.859 104.6 52.8 -61.2 -37.0 -6.1 -6.1 4.8 72 72 A Y H >4 S+ 0 0 0 -3,-0.4 3,-2.0 -4,-0.3 4,-0.4 0.971 107.2 48.2 -64.5 -49.6 -5.2 -7.0 8.4 73 73 A W H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.3 -2,-0.2 0.814 102.3 62.9 -66.2 -24.9 -3.4 -3.8 9.2 74 74 A K T 3< S+ 0 0 73 -4,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.638 102.5 52.6 -71.0 -13.2 -6.2 -1.7 7.8 75 75 A Q T < S+ 0 0 79 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.412 110.0 48.3 -95.8 -4.0 -8.4 -3.3 10.6 76 76 A H S <> S+ 0 0 3 -3,-1.2 4,-1.9 -4,-0.4 5,-0.2 -0.106 71.4 131.3-125.3 37.1 -5.8 -2.3 13.3 77 77 A K H > S+ 0 0 67 -3,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.889 72.8 41.5 -57.8 -55.2 -5.3 1.3 12.3 78 78 A E H 4 S+ 0 0 97 1,-0.2 356,-0.2 2,-0.2 -1,-0.2 0.872 115.4 49.9 -61.5 -43.9 -5.8 3.0 15.7 79 79 A A H 4 S+ 0 0 24 1,-0.2 -1,-0.2 354,-0.1 -2,-0.2 0.811 120.2 30.9 -72.7 -30.2 -3.8 0.4 17.7 80 80 A S H < S+ 0 0 0 -4,-1.9 -1,-0.2 -7,-0.2 -2,-0.2 0.449 86.5 110.2-118.7 -1.8 -0.7 0.3 15.5 81 81 A A < - 0 0 1 -4,-1.3 2,-0.4 -5,-0.2 430,-0.2 -0.406 50.5-158.2 -60.7 153.6 -0.3 3.8 14.0 82 82 A V E -E 510 0E 3 428,-1.4 428,-2.8 -2,-0.1 2,-0.6 -0.998 15.1-147.6-139.3 139.5 2.6 5.8 15.3 83 83 A L E -E 509 0E 1 351,-0.4 2,-0.7 -2,-0.4 426,-0.2 -0.919 18.5-157.0-103.1 113.5 3.3 9.5 15.4 84 84 A V E -E 508 0E 5 424,-2.8 424,-1.6 -2,-0.6 -2,-0.0 -0.850 9.3-142.5 -92.9 110.5 7.1 10.1 15.1 85 85 A S > - 0 0 15 -2,-0.7 3,-1.4 422,-0.2 415,-0.1 -0.351 23.9-114.2 -66.3 153.0 8.1 13.4 16.5 86 86 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 414,-0.1 0.510 115.8 47.7 -72.5 -2.2 10.9 15.1 14.6 87 87 A W T > S+ 0 0 12 412,-0.1 3,-1.0 413,-0.1 2,-0.1 0.346 78.5 137.3-110.5 4.6 13.4 14.8 17.5 88 88 A H T < S- 0 0 4 -3,-1.4 200,-0.1 1,-0.3 199,-0.1 -0.332 83.8 -25.0 -56.4 121.9 12.6 11.1 18.2 89 89 A R T 3 S+ 0 0 10 1,-0.1 -1,-0.3 -2,-0.1 594,-0.2 0.844 73.9 163.5 36.8 67.1 15.9 9.3 18.8 90 90 A M < + 0 0 4 -3,-1.0 593,-2.0 592,-0.1 592,-1.0 0.828 47.3 93.8 -72.5 -36.0 18.3 11.5 16.9 91 91 A S S S- 0 0 24 591,-0.2 400,-0.0 2,-0.2 590,-0.0 -0.209 80.9-127.2 -58.8 153.6 21.3 10.0 18.7 92 92 A Y S S+ 0 0 13 590,-0.1 2,-0.3 591,-0.1 -1,-0.1 0.725 92.7 55.0 -58.8 -23.5 23.4 7.2 17.4 93 93 A F S S- 0 0 75 4,-0.1 -2,-0.2 6,-0.1 2,-0.1 -0.788 76.1-126.3-122.9 153.7 22.7 5.6 20.7 94 94 A F - 0 0 13 -2,-0.3 5,-0.1 2,-0.1 4,-0.1 -0.386 48.3 -92.8 -78.4 168.4 20.0 4.4 23.1 95 95 A N S S+ 0 0 66 1,-0.2 2,-0.2 -2,-0.1 373,-0.0 -0.928 120.7 27.9-134.1 107.5 20.2 5.6 26.7 96 96 A P S S- 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.565 118.1-103.3 -69.3 163.7 21.7 3.7 28.3 97 97 A V + 0 0 110 -2,-0.2 -2,-0.1 1,-0.1 -4,-0.1 -0.254 46.3 171.8 -59.0 138.9 23.8 2.3 25.5 98 98 A S > - 0 0 25 -4,-0.1 3,-1.7 -3,-0.0 -1,-0.1 -0.069 60.2 -87.7-148.9 36.2 22.5 -1.0 24.3 99 99 A N T 3 S- 0 0 81 1,-0.3 3,-0.1 -5,-0.1 -2,-0.1 0.824 84.2 -62.8 57.4 37.7 24.3 -2.0 21.1 100 100 A F T 3 S+ 0 0 20 1,-0.2 2,-0.5 184,-0.1 185,-0.5 0.651 108.1 127.2 64.2 21.0 21.8 -0.1 19.0 101 101 A I < - 0 0 9 -3,-1.7 2,-0.3 183,-0.1 -1,-0.2 -0.926 61.7-127.5-117.4 117.4 19.0 -2.5 20.2 102 102 A S > - 0 0 2 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 -0.470 12.8-151.5 -61.2 120.5 15.8 -1.2 21.7 103 103 A F H > S+ 0 0 81 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.884 95.9 50.5 -58.3 -48.8 15.2 -2.8 25.1 104 104 A E H > S+ 0 0 21 351,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.867 110.9 48.9 -62.6 -35.6 11.4 -2.6 24.9 105 105 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 110.1 51.4 -68.5 -44.6 11.4 -4.1 21.4 106 106 A E H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.933 111.4 49.3 -51.6 -47.3 13.7 -7.0 22.6 107 107 A K H X S+ 0 0 121 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.900 112.0 47.1 -59.2 -46.1 11.2 -7.5 25.5 108 108 A T H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.885 109.7 52.3 -68.0 -37.8 8.2 -7.6 23.2 109 109 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.915 110.7 49.3 -63.5 -42.4 9.9 -10.0 20.6 110 110 A K H X S+ 0 0 43 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.924 111.7 48.8 -66.3 -37.0 10.6 -12.4 23.6 111 111 A E H X S+ 0 0 61 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.906 108.6 54.1 -64.4 -39.8 7.0 -12.1 24.7 112 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 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4,-2.7 2,-0.2 -2,-0.2 0.927 112.3 48.3 -57.1 -47.4 -2.8 -16.4 -11.3 415 415 A M H X S+ 0 0 32 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.888 109.4 54.4 -67.0 -39.8 -5.9 -18.6 -11.0 416 416 A Y H X S+ 0 0 148 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.965 116.4 35.5 -55.3 -55.9 -7.4 -17.1 -14.2 417 417 A Y H X S+ 0 0 34 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.870 113.2 58.6 -70.2 -34.0 -4.4 -17.9 -16.3 418 418 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.865 99.9 58.6 -64.7 -34.5 -3.5 -21.2 -14.6 419 419 A K H X S+ 0 0 120 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.952 103.3 51.8 -59.3 -50.5 -7.0 -22.6 -15.5 420 420 A D H < S+ 0 0 101 -4,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.910 114.9 43.0 -52.6 -43.2 -6.3 -22.1 -19.2 421 421 A M H >< S+ 0 0 11 -4,-1.6 3,-1.0 2,-0.2 -1,-0.2 0.890 109.7 55.3 -72.1 -41.4 -3.0 -24.0 -18.8 422 422 A V H 3< S+ 0 0 1 -4,-3.0 -84,-0.3 1,-0.3 -2,-0.2 0.915 112.3 43.6 -60.5 -40.1 -4.4 -26.8 -16.6 423 423 A K T 3< S+ 0 0 124 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.467 85.2 137.7 -82.0 -3.8 -7.1 -27.6 -19.2 424 424 A A < 0 0 36 -3,-1.0 -86,-0.1 -4,-0.4 -3,-0.1 -0.087 360.0 360.0 -51.3 144.6 -4.7 -27.4 -22.2 425 425 A K 0 0 194 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.152 360.0 360.0 106.6 360.0 -5.0 -30.1 -24.9 426 !* 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 0.0 427 1 B K 0 0 141 0, 0.0 2,-0.5 0, 0.0 -414,-0.2 0.000 360.0 360.0 360.0 156.3 -10.2 14.9 10.5 428 2 B M + 0 0 33 1,-0.1 -418,-0.1 -415,-0.1 -422,-0.0 -0.981 360.0 121.8-121.5 111.5 -8.7 13.0 13.5 429 3 B T S > S+ 0 0 61 -2,-0.5 3,-1.5 -419,-0.0 4,-0.4 0.357 82.6 17.6-127.2 -90.4 -10.4 9.7 14.2 430 4 B W T 3 S+ 0 0 33 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.699 124.5 58.4 -65.6 -22.3 -8.1 6.6 14.1 431 5 B T T 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.564 82.8 86.2 -78.5 -10.4 -5.0 8.8 14.4 432 6 B M H <> S+ 0 0 74 -3,-1.5 4,-2.8 2,-0.2 5,-0.2 0.884 84.0 52.7 -62.0 -44.7 -6.0 10.4 17.7 433 7 B K H > S+ 0 0 99 -4,-0.4 4,-2.3 -3,-0.3 5,-0.2 0.960 113.8 43.4 -58.7 -51.9 -4.6 7.6 20.0 434 8 B A H > S+ 0 0 4 -4,-0.4 4,-2.1 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8,-0.2 -0.425 73.0-115.0 -64.2 132.4 6.9 14.4 30.4 445 19 B N + 0 0 111 -2,-0.2 20,-0.1 1,-0.1 -1,-0.1 -0.611 48.4 157.5 -74.4 109.7 9.0 16.5 32.7 446 20 B e > - 0 0 7 -2,-0.8 3,-1.7 4,-0.3 4,-0.4 -0.034 56.9-115.3-119.3 25.5 12.7 15.7 32.3 447 21 B S T 3 - 0 0 33 1,-0.3 -2,-0.1 2,-0.2 4,-0.1 0.655 56.5 -75.0 59.8 20.4 14.0 19.0 33.6 448 22 B E T 3 S+ 0 0 190 2,-0.3 -1,-0.3 1,-0.1 28,-0.1 0.637 128.8 85.8 58.8 11.3 15.7 20.3 30.4 449 23 B H S < S+ 0 0 38 -3,-1.7 19,-3.3 26,-0.3 2,-0.3 0.237 98.7 7.8-117.2 12.4 18.4 17.7 31.0 450 24 B G E -R 467 0K 9 -4,-0.4 2,-0.3 17,-0.3 -4,-0.3 -0.938 59.4-142.3-165.9-173.6 16.6 14.9 29.3 451 25 B R E -R 466 0K 27 15,-1.6 15,-3.4 -2,-0.3 2,-0.4 -0.957 14.2-131.0-159.2 159.1 13.6 13.7 27.3 452 26 B A - 0 0 7 -11,-0.4 2,-0.3 -2,-0.3 13,-0.1 -0.912 19.6-157.3-118.3 144.3 11.3 10.7 27.1 453 27 B F > - 0 0 13 11,-0.4 3,-2.0 -2,-0.4 -15,-0.0 -0.852 30.8-110.4-119.4 160.2 10.4 8.8 23.9 454 28 B L T 3 S+ 0 0 34 -2,-0.3 -1,-0.1 1,-0.3 -370,-0.0 0.803 119.7 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17.4-126.0 -87.3 133.2 48.1 -39.0 13.3 1335 55 D Q T 3 S+ 0 0 187 -2,-0.3 -1,-0.1 1,-0.2 -11,-0.0 -0.591 89.7 9.1 -75.4 135.3 50.9 -39.7 10.8 1336 56 D G T 3 S+ 0 0 42 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.731 87.3 150.6 70.0 24.4 54.4 -38.6 11.7 1337 57 D o < - 0 0 31 -3,-0.8 -1,-0.2 -13,-0.1 2,-0.1 -0.763 42.7-124.5 -94.3 131.0 53.5 -37.6 15.3 1338 58 D S - 0 0 33 -2,-0.4 327,-0.2 1,-0.1 2,-0.1 -0.418 21.2-110.8 -73.7 146.5 56.2 -37.9 17.9 1339 59 D A E -a 1665 0f 0 325,-2.7 327,-2.9 354,-0.2 2,-0.5 -0.471 29.6-153.1 -67.7 147.5 55.9 -39.9 21.1 1340 60 D D E +a 1666 0f 57 325,-0.2 327,-0.2 -2,-0.1 -17,-0.1 -0.903 36.9 145.2-131.5 102.7 55.7 -37.7 24.2 1341 61 D V + 0 0 1 325,-2.6 342,-2.4 -2,-0.5 327,-0.3 -0.167 38.2 111.2-128.7 36.8 57.0 -39.2 27.4 1342 62 D A + 0 0 14 325,-0.3 2,-0.3 340,-0.2 -1,-0.1 0.931 62.1 68.5 -75.5 -46.8 58.5 -36.0 28.9 1343 63 D S S S- 0 0 18 1,-0.1 2,-1.9 340,-0.1 342,-0.2 -0.562 72.9-136.3 -90.0 137.9 56.0 -35.5 31.8 1344 64 D G + 0 0 0 -2,-0.3 2,-0.6 340,-0.1 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-0.415 53.9-151.8 -71.6 119.3 74.7 -30.8 44.6 1466 186 D A G > S+ 0 0 0 -26,-1.6 3,-2.2 -2,-0.3 -25,-0.2 0.769 91.8 74.5 -56.6 -31.8 74.4 -32.3 48.2 1467 187 D A G > S+ 0 0 37 -27,-0.3 3,-0.6 1,-0.3 -1,-0.3 0.731 89.5 61.4 -52.1 -25.0 77.3 -34.7 47.3 1468 188 D N G < S+ 0 0 116 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.444 106.8 42.5 -81.3 -3.2 79.6 -31.7 47.5 1469 189 D Y G X + 0 0 59 -3,-2.2 3,-1.8 -4,-0.1 -1,-0.2 0.134 67.0 127.5-130.4 15.8 78.8 -31.1 51.2 1470 190 D V T < S+ 0 0 59 -3,-0.6 28,-0.8 1,-0.3 -2,-0.1 0.832 86.2 29.0 -49.1 -37.8 78.8 -34.5 52.9 1471 191 D N T 3 S+ 0 0 150 26,-0.1 -1,-0.3 -3,-0.1 26,-0.1 -0.071 80.0 151.8-119.7 35.2 81.2 -33.5 55.7 1472 192 D V < - 0 0 35 -3,-1.8 -3,-0.1 1,-0.1 26,-0.0 -0.309 48.7-129.7 -62.3 152.2 80.6 -29.8 56.1 1473 193 D S S S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.681 101.6 43.0 -79.9 -17.3 81.4 -28.6 59.6 1474 194 D N > + 0 0 41 1,-0.1 3,-2.0 2,-0.0 -1,-0.3 -0.572 64.6 161.8-129.9 63.3 78.1 -26.8 60.1 1475 195 D P G > + 0 0 21 0, 0.0 3,-2.2 0, 0.0 26,-0.5 0.728 64.9 74.2 -64.8 -22.7 75.5 -29.2 58.7 1476 196 D E G 3 S+ 0 0 114 1,-0.3 24,-0.1 24,-0.2 23,-0.1 0.624 88.6 62.5 -65.8 -14.8 72.6 -27.5 60.5 1477 197 D Q G < S+ 0 0 44 -3,-2.0 -40,-2.8 -41,-0.1 2,-0.4 0.402 92.0 87.0 -85.7 -0.6 72.9 -24.6 58.0 1478 198 D Y E < -e 1437 0h 20 -3,-2.2 23,-2.6 -42,-0.2 2,-0.6 -0.864 59.8-160.5-109.0 136.3 72.1 -27.0 55.1 1479 199 D I E -ef14381501h 0 -42,-2.6 -40,-2.6 -2,-0.4 2,-0.6 -0.966 17.3-164.2-110.0 107.8 68.6 -27.9 53.9 1480 200 D E E -ef14391502h 1 21,-1.3 23,-2.7 -2,-0.6 2,-0.6 -0.891 11.8-149.3-101.6 124.8 68.9 -31.2 52.0 1481 201 D M E -ef14401503h 4 -42,-3.1 -40,-0.7 -2,-0.6 2,-0.5 -0.758 18.9-167.9 -85.9 118.7 66.1 -32.3 49.7 1482 202 D V E - f 01504h 2 21,-3.0 23,-3.4 -2,-0.6 2,-0.5 -0.965 4.5-162.1-112.2 124.6 66.1 -36.1 49.8 1483 203 D T E - f 01505h 4 -2,-0.5 23,-0.2 21,-0.2 3,-0.1 -0.943 7.8-155.3-112.0 127.1 64.0 -37.9 47.2 1484 204 D S S S+ 0 0 1 21,-2.1 25,-0.3 -2,-0.5 8,-0.2 -0.909 91.0 25.6-150.2 111.5 63.2 -41.5 47.9 1485 205 D P S S- 0 0 2 0, 0.0 -1,-0.4 0, 0.0 23,-0.4 0.559 114.9-126.2 -57.5 145.3 62.6 -43.2 45.5 1486 206 D N > - 0 0 6 5,-2.3 4,-1.7 -2,-0.2 -2,-0.1 -0.365 17.7-104.5 -71.8 147.5 64.7 -40.7 43.6 1487 207 D N T 4 S+ 0 0 0 1,-0.2 -42,-0.2 2,-0.2 -4,-0.1 -0.977 102.6 19.3-101.2 116.3 63.6 -38.8 40.5 1488 208 D P T 4 S+ 0 0 1 0, 0.0 155,-0.3 0, 0.0 -1,-0.2 -0.911 132.1 26.8 -99.6 -25.4 64.8 -39.9 38.0 1489 209 D E T 4 S- 0 0 17 -46,-0.2 -2,-0.2 153,-0.1 156,-0.1 0.670 85.8-123.5 -94.0 -13.5 66.0 -43.4 38.6 1490 210 D G < + 0 0 18 -4,-1.7 2,-0.2 1,-0.3 150,-0.1 0.546 56.5 139.2 97.0 7.8 63.9 -44.9 41.3 1491 211 D L - 0 0 66 -6,-0.1 -5,-2.3 1,-0.1 -1,-0.3 -0.544 56.1-109.3 -84.4 149.0 66.5 -45.9 44.0 1492 212 D L - 0 0 37 -7,-0.2 2,-0.3 -2,-0.2 -8,-0.1 -0.506 43.2-173.6 -74.1 148.3 65.7 -45.4 47.7 1493 213 D R - 0 0 47 -2,-0.1 2,-0.3 -11,-0.0 -11,-0.1 -0.949 21.2-162.3-141.6 154.8 67.8 -42.7 49.4 1494 214 D H - 0 0 91 -2,-0.3 -11,-0.1 -11,-0.0 10,-0.0 -0.881 49.9 -72.0-127.4 166.9 68.6 -41.0 52.7 1495 215 D A - 0 0 33 -2,-0.3 -13,-0.1 1,-0.2 4,-0.1 -0.303 33.5-158.9 -56.4 138.2 70.3 -37.7 53.4 1496 216 D V S S+ 0 0 45 1,-0.1 2,-0.8 2,-0.1 -1,-0.2 0.640 76.0 77.4 -91.4 -16.5 74.0 -37.7 52.6 1497 217 D I S > S- 0 0 2 -26,-0.1 3,-1.6 -22,-0.1 2,-0.2 -0.833 81.7-139.7 -97.1 105.7 74.7 -34.7 54.8 1498 218 D K T 3 S+ 0 0 179 -2,-0.8 -2,-0.1 -28,-0.8 -22,-0.0 -0.432 83.3 11.9 -65.9 129.4 74.8 -35.9 58.4 1499 219 D G T 3 S+ 0 0 47 1,-0.2 -1,-0.2 -2,-0.2 -21,-0.1 0.542 95.2 131.5 86.6 4.2 73.1 -33.5 60.8 1500 220 D C S < S- 0 0 14 -3,-1.6 2,-0.9 -23,-0.1 -1,-0.2 -0.250 71.0 -98.2 -77.8 171.1 71.4 -31.3 58.2 1501 221 D K E -f 1479 0h 72 -23,-2.6 -21,-1.3 -26,-0.5 2,-0.3 -0.849 53.9-165.8 -85.5 101.2 67.8 -30.1 58.1 1502 222 D S E -f 1480 0h 15 -2,-0.9 2,-0.5 -23,-0.2 -21,-0.2 -0.604 21.0-160.3 -95.2 148.2 66.4 -32.7 55.6 1503 223 D I E -f 1481 0h 0 -23,-2.7 -21,-3.0 -2,-0.3 2,-0.8 -0.989 16.1-148.2-120.1 120.3 63.2 -32.7 53.8 1504 224 D Y E -fg14821525h 11 20,-2.3 22,-2.3 -2,-0.5 2,-1.0 -0.806 4.8-160.4 -96.1 112.8 62.2 -36.1 52.5 1505 225 D D E +fg14831526h 0 -23,-3.4 -21,-2.1 -2,-0.8 3,-0.3 -0.798 19.3 168.3 -89.3 98.9 60.2 -36.1 49.3 1506 226 D M > + 0 0 3 20,-2.0 3,-2.3 -2,-1.0 22,-0.1 -0.057 26.3 130.9-103.5 30.6 58.6 -39.5 49.3 1507 227 D V T 3 S+ 0 0 0 1,-0.3 21,-0.3 20,-0.1 -1,-0.2 0.773 77.7 41.9 -62.5 -26.0 56.2 -38.9 46.5 1508 228 D Y T 3 S+ 0 0 4 -23,-0.4 2,-2.1 -3,-0.3 5,-0.3 0.323 81.0 113.5 -97.1 8.2 57.1 -42.2 44.8 1509 229 D Y < + 0 0 0 -3,-2.3 -1,-0.1 -25,-0.3 11,-0.1 -0.430 52.1 104.0 -85.0 68.8 57.2 -44.3 48.0 1510 230 D W S >> S- 0 0 0 -2,-2.1 3,-1.9 21,-0.1 4,-1.2 -0.935 87.5-100.7-142.4 154.8 54.2 -46.4 47.1 1511 231 D P T 34 S+ 0 0 0 0, 0.0 -2,-0.0 0, 0.0 84,-0.0 0.769 112.9 73.1 -54.1 -23.7 53.9 -50.0 45.9 1512 232 D H T 34 S+ 0 0 0 1,-0.2 90,-0.1 20,-0.1 -3,-0.1 0.866 115.4 19.2 -53.0 -36.8 53.4 -48.8 42.3 1513 233 D Y T <4 S+ 0 0 9 -3,-1.9 127,-0.6 -5,-0.3 -1,-0.2 0.558 126.2 10.7-115.2 -16.6 57.1 -47.9 42.1 1514 234 D 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