==== 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 OXIDOREDUCTASE 05-JUN-98 1PJB . COMPND 2 MOLECULE: L-ALANINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHORMIDIUM LAPIDEUM; . AUTHOR P.J.BAKER,Y.SAWA,H.SHIBATA,S.E.SEDELNIKOVA,D.W.RICE . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0.3 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 . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 2 1 1 0 2 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 5 1 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 . 1 2 0 1 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 0 0 1 1 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 M 0 0 54 0, 0.0 31,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.5 -11.7 35.7 32.7 2 2 A E E -a 32 0A 64 29,-0.2 67,-1.1 31,-0.1 66,-0.5 -0.842 360.0-173.3 -94.0 130.2 -9.8 38.4 30.8 3 3 A I E -ab 33 69A 0 29,-2.4 31,-3.9 -2,-0.5 2,-0.4 -0.978 4.8-162.7-129.9 130.1 -7.1 37.0 28.6 4 4 A G E -ab 34 70A 0 65,-2.6 67,-2.3 -2,-0.4 31,-0.2 -0.847 9.1-166.6-113.1 151.6 -4.5 38.9 26.7 5 5 A V E -a 35 0A 2 29,-2.7 31,-2.4 -2,-0.4 2,-0.2 -0.914 11.4-164.9-135.7 104.5 -2.4 38.0 23.7 6 6 A P - 0 0 1 0, 0.0 11,-0.4 0, 0.0 2,-0.2 -0.493 34.7 -96.2 -80.3 159.0 0.5 40.4 22.9 7 7 A K - 0 0 89 -2,-0.2 2,-0.2 30,-0.1 32,-0.1 -0.503 44.4-106.2 -73.8 141.1 2.4 40.2 19.6 8 8 A E - 0 0 8 7,-0.4 -1,-0.1 31,-0.4 5,-0.1 -0.501 35.8-175.7 -68.1 134.5 5.6 38.1 19.8 9 9 A I + 0 0 78 -2,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.527 41.4 114.8-111.6 -6.8 8.5 40.4 19.7 10 10 A K S > S- 0 0 82 1,-0.1 3,-1.8 65,-0.1 2,-0.3 -0.268 82.2 -88.5 -61.4 148.2 11.4 38.0 19.6 11 11 A N T 3 S+ 0 0 134 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.393 107.5 0.8 -64.1 125.1 13.4 38.1 16.4 12 12 A Q T 3 S+ 0 0 79 1,-0.3 2,-0.7 -2,-0.3 -1,-0.3 0.693 93.3 133.4 74.8 17.2 12.0 35.8 13.7 13 13 A E < + 0 0 19 -3,-1.8 -1,-0.3 1,-0.1 29,-0.1 -0.922 18.6 161.1-102.3 117.4 9.2 34.6 15.8 14 14 A F + 0 0 89 -2,-0.7 -1,-0.1 288,-0.2 2,-0.1 0.308 38.4 102.9-115.2 -2.2 6.0 34.7 13.8 15 15 A R - 0 0 5 27,-0.1 -7,-0.4 28,-0.1 2,-0.3 -0.316 58.6-141.7 -78.1 171.3 3.7 32.4 15.8 16 16 A V - 0 0 0 289,-0.3 56,-0.1 -9,-0.1 3,-0.1 -0.970 19.2-118.5-137.3 148.4 1.0 33.7 18.1 17 17 A G S S+ 0 0 0 -11,-0.4 2,-0.4 -2,-0.3 55,-0.2 0.841 96.9 16.6 -52.8 -42.4 -0.4 32.6 21.5 18 18 A L - 0 0 0 53,-0.2 -1,-0.2 -3,-0.0 292,-0.1 -0.997 69.3-142.2-138.9 138.8 -3.9 31.9 20.2 19 19 A S > - 0 0 5 -2,-0.4 4,-2.2 290,-0.2 3,-0.2 -0.357 37.2-100.5 -86.0 170.7 -5.4 31.4 16.8 20 20 A P H > S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.906 121.9 54.7 -61.6 -39.6 -8.9 32.6 15.8 21 21 A S H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.849 109.6 48.0 -63.4 -34.2 -10.5 29.2 16.3 22 22 A S H > S+ 0 0 7 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 109.9 52.0 -71.1 -44.9 -9.2 29.1 19.9 23 23 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.959 108.4 50.1 -54.2 -53.0 -10.3 32.5 20.6 24 24 A R H X S+ 0 0 150 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.908 111.1 50.0 -52.4 -45.2 -13.8 31.7 19.4 25 25 A T H < S+ 0 0 60 -4,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.865 111.5 48.5 -61.8 -39.9 -13.9 28.6 21.6 26 26 A L H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 5,-0.5 0.819 109.5 52.3 -70.5 -35.9 -12.7 30.6 24.6 27 27 A V H >< S+ 0 0 42 -4,-2.6 3,-2.4 1,-0.2 -2,-0.2 0.912 101.5 59.8 -68.5 -40.4 -15.3 33.2 24.0 28 28 A E T 3< S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.639 100.7 57.6 -62.6 -13.1 -18.1 30.6 23.9 29 29 A A T < S- 0 0 50 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.271 126.0 -98.5-101.2 11.5 -17.2 29.7 27.4 30 30 A G S < S+ 0 0 65 -3,-2.4 -3,-0.1 1,-0.3 -2,-0.1 -0.302 83.0 124.9 106.9 -48.9 -17.7 33.2 28.8 31 31 A H - 0 0 15 -5,-0.5 2,-0.4 -2,-0.1 -1,-0.3 0.121 51.9-137.7 -45.4 153.3 -14.1 34.4 28.8 32 32 A T E -a 2 0A 44 -31,-2.6 -29,-2.4 -3,-0.1 2,-0.4 -0.976 14.3-150.6-121.9 137.2 -13.1 37.6 27.0 33 33 A V E -a 3 0A 0 21,-0.5 23,-2.8 -2,-0.4 2,-0.5 -0.902 8.7-165.1-117.1 134.3 -10.0 38.0 24.9 34 34 A F E -ac 4 56A 9 -31,-3.9 -29,-2.7 -2,-0.4 2,-0.4 -0.950 12.3-177.4-117.9 122.6 -7.8 40.9 24.1 35 35 A I E -ac 5 57A 1 21,-2.3 23,-3.0 -2,-0.5 2,-0.2 -0.962 27.3-119.6-125.4 131.1 -5.2 40.7 21.3 36 36 A E E > - c 0 58A 34 -31,-2.4 3,-2.2 -2,-0.4 4,-0.2 -0.457 44.5 -94.4 -65.7 135.7 -2.8 43.3 20.2 37 37 A T T 3 S+ 0 0 44 21,-2.9 -30,-0.1 1,-0.3 -1,-0.1 -0.147 109.8 13.7 -46.1 140.7 -3.2 44.5 16.6 38 38 A Q T 3 S+ 0 0 84 -3,-0.1 4,-0.5 1,-0.1 3,-0.4 0.436 87.2 124.6 69.7 -2.4 -1.0 42.5 14.1 39 39 A A S < S+ 0 0 5 -3,-2.2 -31,-0.4 1,-0.2 3,-0.3 0.863 79.5 37.7 -53.7 -39.5 -0.3 39.9 16.7 40 40 A G S > >S+ 0 0 0 5,-0.2 5,-2.4 -4,-0.2 3,-1.4 0.559 91.0 94.9 -89.4 -14.1 -1.6 37.1 14.3 41 41 A I G > 5S+ 0 0 82 -3,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.802 77.5 53.8 -52.7 -36.0 -0.3 38.5 11.1 42 42 A G G 3 5S+ 0 0 38 -4,-0.5 -1,-0.2 -3,-0.3 264,-0.2 0.751 112.3 48.5 -73.3 -19.3 3.0 36.6 10.8 43 43 A A G < 5S- 0 0 3 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.341 126.6 -99.5 -98.5 -1.3 1.0 33.4 11.1 44 44 A G T < 5S+ 0 0 53 -3,-1.1 2,-0.6 -4,-0.4 -3,-0.2 0.628 83.3 125.1 93.4 16.1 -1.6 34.4 8.5 45 45 A F < - 0 0 18 -5,-2.4 -5,-0.2 -7,-0.1 -1,-0.2 -0.913 45.1-154.5-112.2 109.0 -4.4 35.6 10.9 46 46 A A >> - 0 0 36 -2,-0.6 4,-1.2 -6,-0.1 3,-0.5 -0.384 29.9-111.1 -77.3 158.2 -5.7 39.1 10.3 47 47 A D H 3> S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.863 117.9 63.3 -53.7 -39.4 -7.3 41.2 13.0 48 48 A Q H 3> S+ 0 0 123 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.928 99.2 53.1 -52.5 -46.9 -10.6 40.9 11.2 49 49 A D H <> S+ 0 0 53 -3,-0.5 4,-1.0 1,-0.3 -1,-0.3 0.854 108.9 50.4 -58.6 -34.7 -10.4 37.1 11.7 50 50 A Y H X>S+ 0 0 0 -4,-1.2 5,-2.3 -3,-0.3 4,-0.8 0.847 108.6 52.2 -72.7 -33.2 -10.0 37.8 15.4 51 51 A V H ><5S+ 0 0 84 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.970 104.4 53.6 -67.6 -47.9 -12.9 40.1 15.4 52 52 A Q H 3<5S+ 0 0 152 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.808 107.5 55.5 -54.3 -30.7 -15.3 37.6 13.8 53 53 A A H 3<5S- 0 0 15 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.714 126.3 -97.2 -80.2 -17.6 -14.3 35.3 16.6 54 54 A G T <<5S+ 0 0 37 -3,-1.7 -21,-0.5 -4,-0.8 2,-0.3 0.511 73.6 141.5 114.2 11.3 -15.2 37.6 19.5 55 55 A A < - 0 0 8 -5,-2.3 2,-0.6 -8,-0.1 -1,-0.3 -0.644 49.3-134.6 -87.1 148.7 -11.9 39.2 20.3 56 56 A Q E -c 34 0A 102 -23,-2.8 -21,-2.3 -2,-0.3 2,-0.6 -0.864 24.2-140.3 -95.8 121.2 -11.4 42.7 21.3 57 57 A V E -c 35 0A 50 -2,-0.6 -21,-0.2 -23,-0.2 -23,-0.1 -0.776 17.0-155.4 -89.3 122.3 -8.4 43.9 19.3 58 58 A V E -c 36 0A 12 -23,-3.0 -21,-2.9 -2,-0.6 6,-0.1 -0.780 14.8-140.5-103.0 143.1 -6.1 46.1 21.3 59 59 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -23,-0.1 0.562 79.1 39.7 -77.3 -12.6 -3.7 48.8 19.9 60 60 A S S > S- 0 0 37 1,-0.1 4,-0.8 -25,-0.0 3,-0.5 -0.988 71.8-125.5-141.1 154.2 -0.8 48.2 22.3 61 61 A A H >> S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 3,-0.6 0.847 112.3 62.1 -61.3 -34.7 1.2 45.5 24.0 62 62 A K H 3> S+ 0 0 133 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.906 101.4 51.8 -59.5 -38.7 0.5 47.3 27.3 63 63 A D H 34 S+ 0 0 55 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.710 113.6 45.1 -69.6 -21.6 -3.2 46.7 26.7 64 64 A A H X< S+ 0 0 0 -4,-0.8 3,-0.6 -3,-0.6 -2,-0.2 0.783 111.6 49.8 -91.6 -29.0 -2.5 43.0 26.1 65 65 A W H 3< S+ 0 0 0 -4,-2.8 20,-0.2 1,-0.2 -2,-0.2 0.679 92.7 78.8 -80.8 -19.5 -0.1 42.5 29.1 66 66 A S T 3< S+ 0 0 45 -4,-1.3 -1,-0.2 -5,-0.2 2,-0.1 0.206 76.2 100.5 -73.6 10.9 -2.5 44.1 31.6 67 67 A R S < S- 0 0 42 -3,-0.6 18,-0.2 2,-0.1 -64,-0.1 -0.443 83.1-109.9-100.7 172.8 -4.8 41.0 31.9 68 68 A E S S+ 0 0 94 -66,-0.5 21,-2.4 1,-0.2 2,-0.4 0.775 106.9 28.3 -68.4 -31.6 -5.2 38.2 34.4 69 69 A M E -bd 3 89A 0 -67,-1.1 -65,-2.6 19,-0.2 2,-0.5 -0.999 67.1-165.4-132.6 129.1 -3.8 35.7 32.0 70 70 A V E -bd 4 90A 0 19,-2.5 21,-1.7 -2,-0.4 2,-0.5 -0.959 7.7-162.1-113.1 129.5 -1.3 36.3 29.4 71 71 A V E + d 0 91A 0 -67,-2.3 -54,-0.3 -2,-0.5 2,-0.2 -0.980 24.6 153.3-116.2 119.6 -1.0 33.5 26.7 72 72 A K - 0 0 1 19,-2.1 -56,-0.1 -2,-0.5 -65,-0.1 -0.817 45.5-133.7-132.6 178.2 2.2 33.6 24.6 73 73 A V S S+ 0 0 0 -2,-0.2 20,-1.5 19,-0.2 2,-0.2 0.857 84.4 36.0-101.2 -51.7 4.6 31.4 22.6 74 74 A K S S- 0 0 27 18,-0.2 20,-0.1 1,-0.1 3,-0.1 -0.498 93.6 -82.3 -99.1 172.2 8.1 32.6 23.7 75 75 A E - 0 0 32 -2,-0.2 -1,-0.1 1,-0.1 19,-0.1 -0.335 54.3 -93.9 -69.7 151.6 9.6 33.8 27.0 76 76 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.311 42.5-139.8 -64.0 146.2 9.2 37.5 28.0 77 77 A L > - 0 0 39 1,-0.1 3,-2.8 -3,-0.1 4,-0.4 -0.742 25.0-102.8-109.7 159.8 12.0 39.8 27.1 78 78 A P G > S+ 0 0 90 0, 0.0 3,-3.2 0, 0.0 4,-0.5 0.914 119.2 64.4 -44.4 -49.4 13.6 42.6 29.0 79 79 A A G 3 S+ 0 0 85 1,-0.3 3,-0.3 2,-0.1 0, 0.0 0.769 108.7 41.6 -46.7 -26.4 11.7 45.1 26.8 80 80 A E G X> S+ 0 0 6 -3,-2.8 3,-1.7 1,-0.2 4,-0.7 0.319 81.8 102.0-103.4 1.7 8.5 43.7 28.4 81 81 A Y G X4 S+ 0 0 38 -3,-3.2 3,-0.6 -4,-0.4 -1,-0.2 0.866 82.2 51.9 -56.2 -34.4 9.7 43.3 31.9 82 82 A D G 34 S+ 0 0 153 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.497 100.8 61.4 -83.8 -1.7 7.8 46.5 32.9 83 83 A L G <4 S+ 0 0 37 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.584 81.8 100.9 -96.8 -16.0 4.5 45.4 31.4 84 84 A M << - 0 0 14 -4,-0.7 2,-0.3 -3,-0.6 -18,-0.1 -0.375 60.5-149.5 -70.5 154.5 4.2 42.4 33.7 85 85 A Q > - 0 0 84 -20,-0.2 3,-1.2 -18,-0.2 26,-0.1 -0.914 20.9-107.0-128.2 157.7 1.9 42.6 36.8 86 86 A K T 3 S+ 0 0 112 -2,-0.3 259,-0.2 1,-0.2 -2,-0.0 0.642 107.9 31.0 -56.3 -34.2 1.7 41.1 40.2 87 87 A D T 3 S+ 0 0 147 24,-0.1 -1,-0.2 2,-0.1 23,-0.1 0.323 87.0 128.8-116.7 18.1 -1.0 38.6 40.1 88 88 A Q < - 0 0 3 -3,-1.2 24,-2.4 1,-0.1 2,-0.5 -0.168 54.3-131.7 -64.6 163.3 -1.0 37.4 36.5 89 89 A L E -de 69 112A 9 -21,-2.4 -19,-2.5 22,-0.2 2,-0.5 -0.917 23.1-161.9-111.1 128.2 -0.9 34.0 35.2 90 90 A L E +de 70 113A 1 22,-2.0 24,-3.4 -2,-0.5 2,-0.4 -0.991 10.3 179.9-117.7 128.7 1.7 33.6 32.6 91 91 A F E +de 71 114A 1 -21,-1.7 -19,-2.1 -2,-0.5 2,-0.3 -0.964 34.7 96.0-130.7 107.3 1.5 30.6 30.2 92 92 A T E S- e 0 115A 0 22,-1.7 24,-2.2 -2,-0.4 2,-0.5 -0.944 81.1 -60.6-170.2-178.5 4.3 30.2 27.5 93 93 A Y + 0 0 5 -20,-1.5 22,-0.1 -2,-0.3 -2,-0.1 -0.777 54.8 165.5 -81.1 126.3 7.6 28.5 26.8 94 94 A L - 0 0 2 -2,-0.5 -1,-0.2 -19,-0.1 -19,-0.1 0.806 20.9-166.4-111.3 -49.4 10.0 29.8 29.5 95 95 A H > + 0 0 94 1,-0.1 3,-1.2 2,-0.1 4,-0.2 0.944 18.4 174.0 55.5 49.2 13.2 27.6 29.6 96 96 A L G > + 0 0 1 1,-0.2 3,-2.3 2,-0.2 7,-0.3 0.813 62.4 74.2 -56.9 -36.3 14.1 29.1 32.9 97 97 A A G 3 S+ 0 0 53 1,-0.3 -1,-0.2 6,-0.0 3,-0.1 0.412 104.0 44.3 -62.6 6.2 17.2 26.8 33.6 98 98 A A G < S+ 0 0 90 -3,-1.2 2,-0.4 1,-0.1 -1,-0.3 0.399 107.2 60.1-124.9 -7.7 18.9 28.9 30.9 99 99 A A <> + 0 0 30 -3,-2.3 4,-2.9 -4,-0.2 5,-0.2 -0.723 48.8 173.1-131.3 84.8 17.8 32.5 32.0 100 100 A R H > S+ 0 0 93 -2,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.893 84.0 47.5 -52.3 -52.4 18.9 33.5 35.4 101 101 A E H > S+ 0 0 149 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.873 110.8 49.3 -60.8 -44.1 17.7 37.1 34.9 102 102 A L H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.952 111.5 51.6 -60.3 -48.5 14.4 36.1 33.5 103 103 A T H X S+ 0 0 0 -4,-2.9 4,-1.3 -7,-0.3 -2,-0.2 0.864 112.9 43.4 -55.2 -42.0 14.0 33.8 36.5 104 104 A E H X S+ 0 0 43 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.927 111.0 56.8 -68.2 -45.9 14.8 36.5 39.0 105 105 A Q H X S+ 0 0 26 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.819 107.2 46.1 -51.4 -45.2 12.7 39.0 37.2 106 106 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 240,-0.3 0.818 111.6 55.4 -72.1 -29.0 9.6 36.8 37.5 107 107 A M H < S+ 0 0 29 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.947 106.7 48.5 -67.1 -46.8 10.4 36.2 41.1 108 108 A R H < S+ 0 0 127 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.1 0.983 111.6 49.1 -55.4 -62.0 10.5 40.0 41.8 109 109 A V H < S- 0 0 18 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.852 97.7-140.2 -47.1 -48.5 7.2 40.7 40.2 110 110 A G < + 0 0 7 -4,-2.0 235,-1.2 1,-0.2 -1,-0.1 0.407 48.5 135.6 97.5 7.0 5.3 37.9 41.9 111 111 A L - 0 0 0 -5,-0.3 2,-0.5 233,-0.2 235,-0.4 0.004 59.6-105.8 -73.3 178.4 3.0 36.4 39.2 112 112 A T E -e 89 0A 9 -24,-2.4 -22,-2.0 232,-0.2 2,-0.5 -0.924 35.1-160.0-109.7 130.4 2.6 32.7 38.7 113 113 A A E -eF 90 343A 0 230,-2.7 229,-3.2 -2,-0.5 230,-1.6 -0.987 8.4-167.7-120.3 127.1 4.3 31.4 35.7 114 114 A I E -eF 91 341A 0 -24,-3.4 -22,-1.7 -2,-0.5 2,-0.5 -0.971 13.2-146.9-112.6 124.0 3.5 28.1 34.0 115 115 A A E >> -e 92 0A 0 225,-2.4 3,-1.3 -2,-0.5 4,-0.8 -0.810 8.5-145.7 -93.8 130.5 6.0 26.7 31.4 116 116 A Y G >4 S+ 0 0 0 -24,-2.2 3,-0.6 -2,-0.5 12,-0.4 0.878 97.9 61.0 -56.5 -40.6 4.5 24.8 28.5 117 117 A E G 34 S+ 0 0 22 -25,-0.3 -1,-0.2 1,-0.2 12,-0.1 0.545 103.9 44.9 -71.2 -7.2 7.6 22.6 28.5 118 118 A T G <4 S+ 0 0 24 -3,-1.3 2,-0.4 222,-0.1 -1,-0.2 0.521 74.5 112.6-115.1 -7.6 7.2 21.2 32.0 119 119 A V << - 0 0 0 -4,-0.8 9,-0.5 -3,-0.6 2,-0.4 -0.559 55.7-180.0 -63.5 113.3 3.6 20.3 32.0 120 120 A E - 0 0 27 216,-0.8 219,-0.2 -2,-0.4 6,-0.2 -0.969 25.0-134.4-133.3 142.8 4.1 16.5 32.2 121 121 A L > - 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M 0 289B 0 -3,-1.2 -3,-1.8 -33,-0.2 2,-0.4 -0.863 60.8-125.5-103.6 126.3 30.3 18.8 4.2 293 293 A V E -lM 262 288B 4 -32,-2.5 -30,-2.5 -2,-0.5 2,-0.5 -0.546 21.3-160.4 -76.9 127.5 27.5 21.3 4.6 294 294 A H E -lM 263 287B 0 -7,-3.6 -7,-1.8 -2,-0.4 2,-0.6 -0.926 6.4-166.4-112.8 125.2 26.2 22.0 8.0 295 295 A Y E +lM 264 286B 24 -32,-2.1 -30,-0.7 -2,-0.5 -9,-0.2 -0.916 17.3 163.1-106.4 120.0 22.8 23.5 8.7 296 296 A G + 0 0 0 -11,-1.9 -16,-1.7 -2,-0.6 -10,-0.1 0.111 20.1 134.0-125.7 22.0 22.5 24.8 12.3 297 297 A V - 0 0 5 -12,-0.3 -16,-0.1 -18,-0.2 3,-0.1 -0.601 44.9-143.2 -78.3 128.1 19.6 27.2 12.4 298 298 A P + 0 0 40 0, 0.0 4,-0.1 0, 0.0 -31,-0.1 -0.350 68.2 43.2 -91.0 171.7 17.4 26.4 15.5 299 299 A N > - 0 0 68 -33,-0.2 3,-1.5 -2,-0.1 4,-0.2 0.980 60.8-176.2 59.1 61.8 13.7 26.5 16.1 300 300 A M G > S+ 0 0 15 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.880 73.8 64.3 -55.7 -43.2 12.8 24.7 12.9 301 301 A P G > S+ 0 0 10 0, 0.0 3,-1.6 0, 0.0 7,-0.3 0.655 82.2 79.2 -57.7 -18.0 9.0 25.0 13.4 302 302 A G G < S+ 0 0 10 -3,-1.5 -288,-0.2 1,-0.2 -2,-0.2 0.668 80.9 69.3 -64.8 -14.4 9.2 28.8 13.2 303 303 A A G < S+ 0 0 64 -3,-1.9 -1,-0.2 1,-0.3 3,-0.1 0.628 103.5 41.9 -76.0 -19.4 9.4 28.4 9.4 304 304 A V <> + 0 0 41 -3,-1.6 4,-3.5 -4,-0.2 -1,-0.3 -0.525 66.9 159.7-128.8 65.7 5.8 27.3 9.3 305 305 A P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 -289,-0.3 0.764 73.3 56.5 -60.1 -31.8 3.9 29.6 11.8 306 306 A W H > S+ 0 0 141 -264,-0.2 4,-1.4 2,-0.2 5,-0.2 0.985 117.1 34.3 -65.2 -54.2 0.5 29.0 10.3 307 307 A T H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.931 119.5 52.2 -63.4 -47.8 0.8 25.2 10.8 308 308 A A H X S+ 0 0 0 -4,-3.5 4,-2.1 -7,-0.3 5,-0.2 0.842 105.3 53.7 -60.4 -39.9 2.8 25.5 14.0 309 309 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.925 112.0 44.0 -63.0 -45.2 0.3 27.9 15.8 310 310 A Q H X S+ 0 0 55 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.910 112.4 52.6 -67.3 -41.4 -2.7 25.6 15.3 311 311 A A H X S+ 0 0 27 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.911 112.2 45.5 -60.7 -42.9 -0.7 22.5 16.2 312 312 A L H >X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-1.2 0.953 112.8 50.8 -65.6 -47.9 0.4 24.1 19.5 313 313 A N H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.822 99.6 62.7 -58.3 -36.5 -3.1 25.4 20.2 314 314 A N H 3< S+ 0 0 131 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.816 114.4 36.4 -60.4 -28.9 -4.7 22.1 19.7 315 315 A S H << S+ 0 0 39 -3,-1.2 4,-0.3 -4,-0.7 -2,-0.2 0.813 120.7 42.5 -91.3 -37.5 -2.6 20.9 22.6 316 316 A T H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-1.0 0.747 94.5 83.6 -79.6 -29.2 -2.6 24.0 24.9 317 317 A L H 3X S+ 0 0 28 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.869 85.0 50.9 -44.1 -56.3 -6.2 24.8 24.5 318 318 A P H 3> S+ 0 0 68 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.840 114.3 49.0 -58.4 -26.2 -7.8 22.4 27.1 319 319 A Y H <> S+ 0 0 23 -3,-1.0 4,-2.1 -4,-0.3 -2,-0.2 0.888 107.0 52.3 -77.8 -40.5 -5.3 23.8 29.5 320 320 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.939 111.7 47.8 -59.3 -45.1 -6.0 27.4 28.8 321 321 A V H X S+ 0 0 32 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.876 109.4 52.0 -63.1 -43.0 -9.7 26.8 29.3 322 322 A K H X S+ 0 0 60 -4,-1.4 4,-2.5 -5,-0.2 5,-0.3 0.893 113.0 46.7 -59.6 -44.0 -9.1 25.0 32.6 323 323 A L H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.875 111.0 50.2 -67.6 -41.1 -7.0 27.9 33.8 324 324 A A H < S+ 0 0 6 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.871 117.8 40.9 -67.4 -31.8 -9.6 30.5 32.7 325 325 A N H < S+ 0 0 95 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.928 129.9 22.4 -78.7 -51.3 -12.4 28.6 34.5 326 326 A Q H >< S- 0 0 86 -4,-2.5 3,-2.0 1,-0.3 -3,-0.2 0.446 85.0-161.3 -99.5 -5.5 -10.7 27.5 37.8 327 327 A G G >< S- 0 0 18 -4,-1.5 3,-1.7 -5,-0.3 -1,-0.3 -0.236 73.6 -6.7 54.9-141.1 -8.0 30.1 38.0 328 328 A L G > S+ 0 0 74 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.474 123.9 74.8 -62.5 -6.3 -5.3 28.8 40.4 329 329 A K G X S+ 0 0 127 -3,-2.0 3,-2.2 1,-0.2 -1,-0.3 0.731 76.9 76.2 -79.5 -24.0 -7.3 25.8 41.6 330 330 A A G X> S+ 0 0 0 -3,-1.7 4,-3.1 1,-0.3 3,-1.5 0.744 84.2 65.4 -56.9 -27.2 -6.7 23.9 38.4 331 331 A L G <4 S+ 0 0 14 -3,-0.6 -1,-0.3 1,-0.3 7,-0.2 0.729 104.4 46.8 -70.6 -16.2 -3.2 23.2 39.7 332 332 A E G <4 S+ 0 0 151 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.151 116.9 40.3-113.1 23.3 -4.9 21.2 42.3 333 333 A T T <4 S+ 0 0 82 -3,-1.5 2,-0.6 1,-0.2 -2,-0.2 0.460 114.6 57.4-130.3 -33.2 -7.2 19.3 40.0 334 334 A D X - 0 0 24 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 -0.902 55.3-173.1-114.2 112.6 -4.5 18.8 37.3 335 335 A D H > S+ 0 0 132 -2,-0.6 4,-1.6 2,-0.2 -215,-0.2 0.814 89.8 53.8 -66.8 -38.6 -1.3 17.1 38.0 336 336 A A H > S+ 0 0 5 2,-0.2 -216,-0.8 1,-0.2 4,-0.7 0.925 112.1 45.6 -64.8 -40.0 0.2 17.9 34.7 337 337 A L H >> S+ 0 0 0 1,-0.2 3,-1.5 2,-0.2 4,-1.2 0.925 106.8 58.0 -65.6 -45.6 -0.5 21.6 35.2 338 338 A A H >< S+ 0 0 38 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.879 105.5 51.6 -48.8 -42.1 0.8 21.4 38.7 339 339 A K H 3< S+ 0 0 94 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.675 102.3 60.1 -72.2 -19.3 4.1 20.2 37.0 340 340 A G H << S+ 0 0 0 -3,-1.5 -225,-2.4 -4,-0.7 -1,-0.2 0.725 79.1 108.7 -82.1 -21.0 4.1 23.1 34.7 341 341 A L E << +F 114 0A 16 -4,-1.2 -227,-0.2 -3,-0.6 3,-0.1 -0.373 33.4 159.2 -61.7 124.3 4.2 25.5 37.6 342 342 A N E + 0 0 1 -229,-3.2 7,-1.9 1,-0.4 8,-1.5 0.735 60.8 17.5-115.1 -39.8 7.6 27.1 37.7 343 343 A V E +FG 113 348A 0 -230,-1.6 -230,-2.7 5,-0.2 -1,-0.4 -0.999 58.3 164.9-140.4 141.0 7.3 30.4 39.7 344 344 A Q E > - G 0 347A 64 3,-2.2 3,-2.3 -2,-0.3 -232,-0.2 -0.946 67.1 -10.3-160.6 133.1 4.6 31.7 42.1 345 345 A A T 3 S- 0 0 52 -235,-1.2 -234,-0.1 -2,-0.3 -233,-0.1 0.817 127.9 -49.3 44.4 46.4 4.6 34.5 44.6 346 346 A H T 3 S+ 0 0 91 -235,-0.4 2,-0.4 -240,-0.3 -1,-0.3 0.563 114.0 117.5 77.5 8.0 8.3 35.2 44.4 347 347 A R E < -G 344 0A 186 -3,-2.3 -3,-2.2 -237,-0.1 2,-0.8 -0.917 64.8-134.3-115.0 139.7 9.1 31.6 44.9 348 348 A L E +G 343 0A 10 -2,-0.4 -5,-0.2 12,-0.4 -6,-0.0 -0.797 31.9 170.8 -85.6 108.9 10.9 29.3 42.6 349 349 A V + 0 0 59 -7,-1.9 -6,-0.2 -2,-0.8 -1,-0.2 0.652 40.3 100.8 -96.5 -19.8 8.8 26.1 42.7 350 350 A H >> - 0 0 23 -8,-1.5 4,-2.3 1,-0.2 3,-0.9 -0.594 59.8-151.8 -79.2 113.9 10.1 24.0 39.9 351 351 A P H 3> S+ 0 0 83 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.759 95.0 50.4 -49.7 -35.8 12.4 21.3 41.3 352 352 A A H 3> S+ 0 0 53 2,-0.2 4,-0.6 1,-0.2 -2,-0.1 0.852 111.3 47.0 -74.9 -33.8 14.5 21.1 38.2 353 353 A V H X> S+ 0 0 7 -3,-0.9 4,-2.2 2,-0.2 3,-0.6 0.844 108.2 56.6 -76.6 -30.3 15.1 24.8 38.0 354 354 A Q H 3< S+ 0 0 67 -4,-2.3 6,-0.3 1,-0.3 7,-0.3 0.885 100.8 58.6 -65.0 -40.7 16.0 24.9 41.7 355 355 A Q H 3< S+ 0 0 164 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.789 110.1 43.1 -59.7 -28.6 18.6 22.4 41.0 356 356 A V H << S+ 0 0 64 -4,-0.6 -2,-0.2 -3,-0.6 -1,-0.2 0.828 126.7 29.7 -87.5 -40.3 20.2 24.8 38.5 357 357 A F S >X S+ 0 0 21 -4,-2.2 3,-3.0 1,-0.1 4,-0.8 -0.617 76.5 166.9-115.9 62.4 19.9 28.0 40.7 358 358 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.633 76.0 53.6 -54.4 -15.1 20.2 26.1 44.0 359 359 A D T 34 S+ 0 0 107 2,-0.2 -4,-0.1 1,-0.2 -5,-0.1 0.224 96.6 63.5-104.3 7.4 20.7 29.4 45.7 360 360 A L T <4 0 0 30 -3,-3.0 -12,-0.4 -6,-0.3 -1,-0.2 0.554 360.0 360.0-101.7 -17.6 17.6 30.9 44.2 361 361 A A < 0 0 108 -4,-0.8 -2,-0.2 -7,-0.3 -13,-0.2 0.979 360.0 360.0 -79.8 360.0 15.6 28.3 46.1