==== 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 HYDROLASE 10-MAR-98 1A7A . COMPND 2 MOLECULE: S-ADENOSYLHOMOCYSTEINE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.TURNER,C.-S.YUAN,R.T.BORCHARDT,M.S.HERSHFIELD,G.D.SMITH, . 861 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 652 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 44 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.8 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 7 1 0 4 0 8 2 0 10 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 4 8 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 PARALLEL BRIDGES PER LADDER . 0 2 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 S 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.6 22.7 75.0 84.4 2 3 A D + 0 0 153 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.618 360.0 127.7-117.4 -38.1 20.8 71.6 84.1 3 4 A K - 0 0 81 1,-0.1 112,-0.0 2,-0.1 0, 0.0 0.114 64.5-121.0 -30.7 114.4 21.3 71.0 80.4 4 5 A L - 0 0 78 1,-0.2 -1,-0.1 93,-0.0 3,-0.1 -0.350 12.8-127.8 -61.6 139.6 22.8 67.6 80.0 5 6 A P S S- 0 0 88 0, 0.0 2,-0.3 0, 0.0 93,-0.3 0.548 83.3 -40.8 -67.4 -4.2 26.1 67.7 78.1 6 7 A Y - 0 0 78 91,-0.2 2,-0.2 68,-0.0 93,-0.2 -0.914 57.1-128.2 162.6 180.0 24.5 65.1 75.9 7 8 A K B +a 99 0A 75 91,-2.8 93,-1.5 -2,-0.3 2,-0.3 -0.778 31.4 156.6-161.8 111.5 22.3 62.0 76.0 8 9 A V - 0 0 23 -2,-0.2 3,-0.3 91,-0.2 93,-0.2 -0.853 51.3-105.1-132.4 168.7 23.0 58.6 74.5 9 10 A A S S- 0 0 58 91,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.935 103.0 -9.3 -59.1 -49.6 21.9 55.0 75.0 10 11 A D > - 0 0 82 75,-0.2 3,-2.5 1,-0.1 -1,-0.2 -0.710 49.1-160.4-159.1 102.6 25.2 53.9 76.6 11 12 A I G > S+ 0 0 65 1,-0.3 3,-2.2 -3,-0.3 4,-0.2 0.737 88.5 79.6 -52.9 -22.7 28.4 55.9 76.8 12 13 A G G > S+ 0 0 48 1,-0.3 3,-0.8 2,-0.1 4,-0.3 0.776 78.0 67.6 -57.6 -28.3 30.1 52.5 77.4 13 14 A L G <> S+ 0 0 45 -3,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.556 70.4 102.5 -70.0 -6.7 30.0 51.8 73.7 14 15 A A H <> S+ 0 0 9 -3,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.876 76.6 53.5 -42.9 -50.5 32.5 54.6 73.2 15 16 A A H <> S+ 0 0 67 -3,-0.8 4,-1.9 1,-0.2 3,-0.2 0.969 113.2 40.3 -50.9 -63.7 35.4 52.1 72.7 16 17 A W H > S+ 0 0 148 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.779 108.6 66.2 -57.1 -27.5 33.6 50.1 70.0 17 18 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.987 102.5 44.4 -58.6 -59.1 32.5 53.5 68.6 18 19 A R H X S+ 0 0 71 -4,-2.4 4,-3.9 -3,-0.2 5,-0.3 0.917 106.6 61.3 -50.7 -48.5 36.0 54.5 67.8 19 20 A K H X S+ 0 0 125 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.930 111.7 39.1 -41.2 -59.8 36.7 51.0 66.3 20 21 A A H X S+ 0 0 21 -4,-2.2 4,-3.1 2,-0.2 3,-0.2 0.929 117.1 47.2 -60.0 -51.9 34.0 51.7 63.8 21 22 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.971 108.9 57.7 -54.2 -53.4 34.8 55.3 63.1 22 23 A D H X S+ 0 0 71 -4,-3.9 4,-0.7 1,-0.3 -1,-0.2 0.843 113.1 38.9 -43.3 -44.9 38.4 54.4 62.8 23 24 A I H >< S+ 0 0 122 -4,-1.7 3,-0.7 -5,-0.3 4,-0.3 0.891 112.7 55.3 -77.6 -38.8 37.6 52.0 60.0 24 25 A A H >X S+ 0 0 3 -4,-3.1 3,-1.5 1,-0.2 4,-0.5 0.839 100.4 61.1 -62.7 -32.2 34.9 54.2 58.4 25 26 A E H >< S+ 0 0 36 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.858 98.6 56.0 -64.5 -33.1 37.5 57.0 58.1 26 27 A N T << S+ 0 0 120 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.503 108.2 49.7 -77.4 -2.2 39.6 54.8 55.8 27 28 A E T <4 S+ 0 0 72 -3,-1.5 -1,-0.2 -4,-0.3 331,-0.2 0.443 101.1 67.2-109.1 -6.1 36.6 54.4 53.6 28 29 A X S+ 0 0 27 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.749 73.9 63.9 -53.5 -24.8 38.8 59.7 51.5 30 31 A G H >> S+ 0 0 1 2,-0.2 4,-2.2 325,-0.2 3,-1.0 1.000 106.6 34.8 -64.2 -71.1 36.6 62.7 50.9 31 32 A L H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.888 119.1 54.3 -51.2 -42.3 36.0 63.9 54.4 32 33 A X H 3X S+ 0 0 46 -4,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.831 106.8 51.0 -64.1 -29.7 39.5 62.9 55.2 33 34 A R H X S+ 0 0 9 -4,-2.2 4,-1.5 1,-0.2 3,-0.9 0.906 108.1 53.1 -61.5 -43.0 38.8 68.0 53.6 35 36 A R H 3X S+ 0 0 31 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.920 107.6 47.4 -60.1 -49.5 40.3 67.6 57.0 36 37 A E H 3< S+ 0 0 142 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.526 115.6 48.2 -73.6 -1.8 44.0 67.6 55.9 37 38 A R H << S+ 0 0 133 -3,-0.9 4,-0.3 -4,-0.5 -1,-0.2 0.647 125.7 22.7-108.4 -21.9 43.2 70.7 53.8 38 39 A Y H X S+ 0 0 42 -4,-1.5 4,-2.3 -3,-0.3 -2,-0.2 0.462 89.4 97.5-124.3 -3.2 41.4 72.8 56.3 39 40 A S T < S+ 0 0 47 -4,-2.3 -3,-0.1 -5,-0.2 -4,-0.1 0.860 95.4 40.9 -54.5 -35.8 42.5 71.6 59.7 40 41 A A T 4 S+ 0 0 96 -5,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.986 115.3 45.2 -75.8 -63.7 45.0 74.4 59.8 41 42 A S T 4 S- 0 0 80 -4,-0.3 -2,-0.2 1,-0.1 4,-0.2 0.716 88.2-152.0 -53.7 -25.5 43.0 77.3 58.3 42 43 A K >< - 0 0 85 -4,-2.3 3,-2.4 26,-0.2 -3,-0.1 0.904 19.1-179.2 50.3 50.3 40.0 76.4 60.5 43 44 A P T 3 S+ 0 0 24 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 0.710 75.4 55.7 -52.2 -26.9 37.5 77.9 57.9 44 45 A L T > S+ 0 0 0 25,-1.6 3,-2.2 -6,-0.2 28,-0.2 0.229 75.9 142.0 -93.0 13.3 34.5 77.1 60.1 45 46 A K T < S+ 0 0 156 -3,-2.4 26,-0.2 24,-0.3 3,-0.1 -0.289 70.6 18.0 -55.3 132.7 35.9 79.0 63.1 46 47 A G T 3 S+ 0 0 38 24,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.222 92.7 129.8 90.9 -17.7 33.0 80.7 64.9 47 48 A A < - 0 0 0 -3,-2.2 25,-2.3 23,-0.4 2,-0.6 -0.504 44.8-158.6 -74.2 138.2 30.3 78.6 63.3 48 49 A R E -b 72 0A 45 -2,-0.2 77,-2.3 23,-0.2 78,-1.7 -0.841 18.2-163.3-118.5 89.3 27.8 77.1 65.7 49 50 A I E -bc 73 126A 0 23,-2.3 25,-2.2 -2,-0.6 2,-0.7 -0.628 12.7-161.8 -82.7 124.7 26.4 74.2 63.7 50 51 A A E -bc 74 127A 0 76,-2.1 78,-1.9 -2,-0.4 2,-0.4 -0.910 18.4-164.1-104.6 108.1 23.1 72.5 64.7 51 52 A G E +bc 75 128A 0 23,-2.6 25,-1.3 -2,-0.7 78,-0.2 -0.768 21.3 177.3 -99.9 140.6 23.0 69.2 63.0 52 53 A C E +bc 76 129A 0 76,-2.1 78,-1.3 -2,-0.4 2,-0.3 -0.634 38.3 121.0-138.4 75.3 19.9 67.0 62.6 53 54 A L S S- 0 0 3 23,-1.3 3,-0.1 -2,-0.2 23,-0.1 -0.999 76.2 -68.5-143.3 136.4 21.0 64.0 60.6 54 55 A H - 0 0 15 -2,-0.3 2,-1.9 23,-0.2 5,-0.2 0.180 50.1-127.6 -21.0 116.3 21.0 60.2 61.3 55 56 A X + 0 0 0 24,-0.3 29,-3.0 4,-0.1 33,-0.2 -0.523 56.1 143.5 -78.6 82.0 23.5 59.7 64.1 56 57 A T > - 0 0 8 -2,-1.9 4,-2.5 27,-0.2 5,-0.2 -0.723 68.0 -95.4-117.7 168.7 25.5 56.9 62.4 57 58 A V H > S+ 0 0 10 -2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.929 126.7 48.6 -44.8 -55.8 29.2 55.9 62.2 58 59 A E H >> S+ 0 0 16 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.944 108.8 52.7 -50.7 -54.1 29.6 57.9 59.0 59 60 A T H 3> S+ 0 0 0 1,-0.3 4,-3.4 2,-0.2 -1,-0.3 0.850 103.9 59.0 -50.8 -38.1 27.9 60.9 60.4 60 61 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.6 -3,-0.4 -1,-0.3 0.907 102.7 50.9 -59.7 -43.1 30.4 60.8 63.3 61 62 A V H S+ 0 0 0 -4,-2.7 5,-1.1 1,-0.2 3,-0.3 0.928 112.9 49.0 -57.0 -43.4 33.4 69.9 61.1 67 68 A V H ><5S+ 0 0 57 -4,-1.9 3,-2.9 1,-0.2 -2,-0.2 0.918 104.6 55.8 -61.9 -48.1 35.1 70.2 64.4 68 69 A T H 3<5S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.797 105.7 54.3 -56.1 -27.9 38.6 69.8 62.9 69 70 A L T 3<5S- 0 0 0 -4,-1.5 -25,-1.6 -3,-0.3 -24,-0.3 0.472 127.4-105.4 -84.2 -2.0 37.7 72.7 60.8 70 71 A G T < 5S+ 0 0 25 -3,-2.9 -24,-0.7 1,-0.2 2,-0.4 0.848 70.1 138.7 85.8 38.9 36.8 74.6 64.0 71 72 A A < - 0 0 5 -5,-1.1 -1,-0.2 -26,-0.2 -23,-0.2 -0.946 52.8-124.7-116.3 133.6 33.1 74.8 64.2 72 73 A E E -b 48 0A 84 -25,-2.3 -23,-2.3 -2,-0.4 2,-0.4 -0.505 38.6-164.2 -68.4 145.0 31.2 74.3 67.5 73 74 A V E -b 49 0A 9 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.997 24.4-179.1-142.2 139.5 28.7 71.5 66.9 74 75 A Q E -b 50 0A 17 -25,-2.2 -23,-2.6 -2,-0.4 2,-0.3 -0.997 23.4-164.0-133.2 135.2 25.6 70.1 68.6 75 76 A W E +bd 51 98A 0 22,-3.1 24,-1.9 -2,-0.4 2,-0.3 -0.892 24.1 165.3-134.7 156.6 23.8 67.1 67.1 76 77 A S E -bd 52 99A 0 -25,-1.3 -23,-1.3 -2,-0.3 24,-0.2 -0.957 40.4-100.3-153.7 157.9 20.7 65.0 67.0 77 78 A S - 0 0 1 22,-0.6 -23,-0.2 -2,-0.3 36,-0.1 -0.464 16.0-137.1 -83.6 158.7 19.4 62.3 64.6 78 79 A C S S+ 0 0 3 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.209 90.4 41.4 -97.8 13.6 16.7 63.1 62.0 79 80 A N S S- 0 0 11 30,-0.1 4,-0.5 1,-0.0 -24,-0.3 -0.950 75.5-131.6-160.3 139.6 15.0 59.8 62.7 80 81 A I S S+ 0 0 12 -2,-0.3 23,-2.4 1,-0.2 24,-2.1 0.655 106.2 35.1 -68.1 -18.5 14.1 57.9 65.9 81 82 A F S S+ 0 0 9 21,-0.2 -1,-0.2 22,-0.2 21,-0.1 0.616 99.4 75.7-109.4 -18.6 15.4 54.5 64.7 82 83 A S + 0 0 1 -3,-0.1 -2,-0.1 19,-0.1 20,-0.1 0.584 65.9 112.1 -74.1 -11.0 18.5 55.4 62.6 83 84 A T - 0 0 1 -4,-0.5 2,-0.6 18,-0.2 -27,-0.2 -0.352 57.2-149.2 -66.3 142.1 20.8 56.3 65.4 84 85 A Q > - 0 0 14 -29,-3.0 4,-2.3 1,-0.2 3,-0.3 -0.967 10.9-151.9-111.3 110.5 23.8 53.9 65.9 85 86 A N H > S+ 0 0 40 -2,-0.6 4,-3.7 1,-0.2 5,-0.2 0.881 88.8 51.0 -54.8 -50.1 24.5 53.9 69.6 86 87 A H H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.873 114.9 46.0 -59.6 -34.4 28.2 53.1 69.7 87 88 A A H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.880 112.2 51.9 -72.3 -37.0 28.8 55.9 67.1 88 89 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -33,-0.2 -2,-0.2 0.964 113.0 44.9 -61.7 -50.3 26.5 58.1 69.2 89 90 A A H X S+ 0 0 0 -4,-3.7 4,-3.3 2,-0.2 5,-0.3 0.931 105.6 58.7 -60.1 -50.6 28.6 57.4 72.3 90 91 A A H X S+ 0 0 3 -4,-2.6 4,-1.1 1,-0.3 -1,-0.2 0.928 110.9 44.8 -45.2 -49.7 32.0 57.8 70.6 91 92 A I H <>S+ 0 0 0 -4,-1.8 5,-1.6 2,-0.2 -1,-0.3 0.868 111.5 51.3 -64.1 -40.4 30.9 61.4 69.8 92 93 A A H ><5S+ 0 0 3 -4,-1.9 3,-2.7 1,-0.2 4,-0.3 0.969 109.2 50.9 -60.5 -52.2 29.5 62.0 73.3 93 94 A K H 3<5S+ 0 0 151 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.770 99.7 66.5 -56.3 -26.2 32.7 60.9 74.8 94 95 A A T 3<5S- 0 0 51 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.475 121.5-107.4 -75.0 -1.1 34.5 63.3 72.4 95 96 A G T < 5S+ 0 0 66 -3,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.732 79.1 131.7 82.2 23.6 32.9 66.1 74.3 96 97 A I < - 0 0 16 -5,-1.6 2,-0.5 -4,-0.3 -1,-0.3 -0.944 65.3-112.9-111.1 124.5 30.4 67.0 71.6 97 98 A P + 0 0 28 0, 0.0 -22,-3.1 0, 0.0 2,-0.4 -0.393 44.2 173.3 -59.8 109.7 26.8 67.4 72.6 98 99 A V E - d 0 75A 0 -2,-0.5 -91,-2.8 -93,-0.3 2,-0.3 -0.948 17.6-174.1-120.1 140.8 24.8 64.5 71.0 99 100 A Y E +ad 7 76A 2 -24,-1.9 -22,-0.6 -2,-0.4 2,-0.3 -0.747 45.2 95.8-137.2 87.1 21.2 63.8 71.7 100 101 A A + 0 0 0 -93,-1.5 -91,-0.4 -2,-0.3 2,-0.3 -0.966 31.6 167.5-167.9 154.6 20.2 60.5 70.0 101 102 A W - 0 0 27 -2,-0.3 3,-0.5 -93,-0.2 2,-0.3 -0.909 48.3 -87.7-170.5 144.9 19.8 56.8 70.6 102 103 A K S S+ 0 0 70 -2,-0.3 -21,-0.2 1,-0.2 -22,-0.1 -0.442 110.9 28.9 -64.0 123.6 18.2 54.0 68.6 103 104 A G S S+ 0 0 36 -23,-2.4 -1,-0.2 -2,-0.3 -22,-0.2 0.852 76.5 167.5 96.5 40.3 14.5 53.8 69.6 104 105 A E - 0 0 7 -24,-2.1 2,-0.3 -3,-0.5 -1,-0.1 -0.277 31.8-123.3 -76.8 169.9 13.5 57.3 70.5 105 106 A T > - 0 0 56 1,-0.1 4,-3.4 -2,-0.0 5,-0.2 -0.820 30.9-102.0-111.5 156.4 9.9 58.3 70.9 106 107 A D H > S+ 0 0 105 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.837 125.8 47.2 -45.2 -39.0 8.3 61.2 69.0 107 108 A E H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.963 112.6 46.8 -69.5 -52.3 8.6 63.4 72.1 108 109 A E H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.893 109.3 57.1 -56.5 -39.8 12.2 62.4 72.8 109 110 A Y H X S+ 0 0 30 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.975 111.2 40.9 -53.1 -59.8 13.0 63.0 69.1 110 111 A L H X S+ 0 0 63 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.803 112.0 58.6 -57.8 -33.8 11.7 66.5 69.3 111 112 A W H X S+ 0 0 69 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.928 104.0 50.9 -63.6 -47.1 13.4 66.9 72.7 112 113 A C H >X S+ 0 0 0 -4,-2.9 4,-0.6 -3,-0.2 3,-0.6 0.960 106.5 52.2 -56.6 -57.1 16.8 66.0 71.2 113 114 A I H >X S+ 0 0 4 -4,-1.7 3,-2.2 1,-0.3 4,-0.7 0.924 108.2 53.2 -44.2 -53.7 16.7 68.6 68.4 114 115 A E H >X S+ 0 0 57 -4,-1.7 3,-1.3 1,-0.3 4,-0.6 0.868 98.8 62.3 -52.7 -41.9 15.8 71.3 70.9 115 116 A Q H << S+ 0 0 35 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.651 103.0 52.5 -61.1 -14.1 18.9 70.5 73.0 116 117 A T H << S+ 0 0 0 -3,-2.2 -1,-0.2 -4,-0.6 -2,-0.2 0.643 87.7 80.4 -97.0 -15.8 21.1 71.4 70.0 117 118 A L H << S+ 0 0 0 -3,-1.3 7,-1.5 -4,-0.7 2,-0.5 0.878 88.7 54.5 -59.2 -44.7 19.6 74.9 69.3 118 119 A Y E < -H 123 0B 106 -4,-0.6 2,-0.2 5,-0.2 -1,-0.1 -0.842 66.2-168.2-105.3 130.8 21.5 76.8 72.0 119 120 A F E > -H 122 0B 16 3,-2.6 3,-1.9 -2,-0.5 -71,-0.0 -0.543 41.6 -96.8-103.6 169.8 25.3 76.8 72.5 120 121 A K T 3 S+ 0 0 209 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.703 126.2 36.1 -60.0 -18.4 27.5 78.0 75.4 121 122 A D T 3 S- 0 0 84 1,-0.4 -1,-0.3 2,-0.0 -73,-0.0 0.023 128.8 -64.9-126.6 30.0 28.0 81.3 73.5 122 123 A G E < S-H 119 0B 22 -3,-1.9 -3,-2.6 3,-0.0 -1,-0.4 -0.619 73.2 -32.3 119.7 179.2 24.6 81.8 71.9 123 124 A P E S-H 118 0B 47 0, 0.0 -5,-0.2 0, 0.0 -75,-0.1 -0.269 77.3 -69.3 -72.7 160.5 22.2 80.3 69.2 124 125 A L - 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0 0 14 -3,-3.0 -23,-0.2 -4,-0.5 -24,-0.2 -0.714 56.6-165.5 -90.4 131.1 21.4 81.9 61.3 150 151 A R - 0 0 102 -25,-3.9 2,-0.3 -2,-0.4 -24,-0.2 0.752 64.0 -9.2 -89.0 -26.0 23.7 82.4 58.3 151 152 A G E -e 126 0A 0 -26,-0.9 -24,-2.0 23,-0.1 2,-0.4 -0.957 48.8-134.6-172.9 152.5 22.8 79.4 56.2 152 153 A I E -ef 127 176A 0 23,-3.4 25,-2.3 -2,-0.3 2,-0.4 -0.893 13.3-166.7-110.7 142.6 21.0 76.1 55.7 153 154 A S E -ef 128 177A 0 -26,-2.2 -24,-2.6 -2,-0.4 2,-0.3 -0.931 11.8-170.0-131.8 103.9 22.5 73.0 54.2 154 155 A E E -ef 129 178A 0 23,-1.7 25,-1.7 -2,-0.4 26,-0.8 -0.760 10.3-176.4 -99.3 144.0 20.0 70.2 53.3 155 156 A E + 0 0 2 -26,-1.4 2,-0.3 -2,-0.3 -25,-0.2 0.765 52.8 60.7-112.4 -29.2 20.9 66.7 52.3 156 157 A T S > S- 0 0 28 -27,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.695 77.3-114.0-106.8 160.4 18.0 64.5 51.3 157 158 A T H > S+ 0 0 66 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.870 113.1 50.8 -53.7 -45.4 15.3 64.8 48.5 158 159 A T H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.869 111.7 48.5 -64.5 -35.6 12.4 65.3 50.9 159 160 A G H > S+ 0 0 1 -3,-0.4 4,-1.9 2,-0.2 3,-0.3 0.970 112.1 47.3 -68.1 -52.0 14.1 68.1 52.7 160 161 A V H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.847 105.4 61.4 -57.7 -34.5 15.1 69.9 49.6 161 162 A H H X S+ 0 0 76 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.958 106.7 44.8 -59.1 -48.5 11.6 69.5 48.3 162 163 A N H X S+ 0 0 51 -4,-1.6 4,-3.4 -3,-0.3 -1,-0.2 0.848 106.4 60.7 -64.5 -33.8 10.3 71.5 51.2 163 164 A L H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.950 107.7 44.4 -57.8 -47.6 13.0 74.2 50.8 164 165 A Y H X S+ 0 0 64 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.896 113.3 51.5 -63.0 -38.6 11.8 74.9 47.3 165 166 A K H X S+ 0 0 85 -4,-1.8 4,-0.7 -5,-0.2 -2,-0.2 0.934 112.1 46.8 -63.3 -45.5 8.2 74.9 48.6 166 167 A X H ><>S+ 0 0 15 -4,-3.4 5,-2.8 2,-0.2 3,-1.2 0.933 113.1 46.4 -62.4 -50.3 9.1 77.4 51.4 167 168 A X H ><5S+ 0 0 83 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.942 109.7 56.5 -57.5 -45.8 11.1 79.7 49.2 168 169 A A H 3<5S+ 0 0 77 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.674 110.0 45.6 -59.6 -19.3 8.2 79.6 46.7 169 170 A N T <<5S- 0 0 98 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 -0.061 115.6-110.5-115.7 32.3 5.9 80.7 49.5 170 171 A G T < 5S+ 0 0 49 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.701 92.5 109.2 48.4 24.9 8.0 83.5 50.8 171 172 A I < + 0 0 89 -5,-2.8 2,-0.4 -6,-0.2 -4,-0.2 0.731 41.8 97.4 -99.8 -26.6 8.7 81.5 54.0 172 173 A L + 0 0 6 -6,-0.8 4,-0.0 -9,-0.2 210,-0.0 -0.508 45.6 174.3 -65.8 121.4 12.3 80.6 53.5 173 174 A K + 0 0 124 -2,-0.4 -1,-0.2 1,-0.1 207,-0.1 0.363 54.6 52.4-112.8 3.1 14.2 83.2 55.5 174 175 A V S S- 0 0 2 205,-0.1 207,-0.3 -27,-0.0 -23,-0.1 -0.999 89.8 -97.4-141.4 142.8 17.8 82.0 55.3 175 176 A P - 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0 0 60 0, 0.0 3,-2.3 0, 0.0 -2,-0.1 -0.216 42.8-110.5 -62.1 150.7 12.1 70.3 38.9 858 428 B D T 3 S+ 0 0 141 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.819 119.7 53.7 -54.3 -30.3 14.0 71.6 35.9 859 429 B H T 3 S+ 0 0 44 2,-0.0 -1,-0.3 -429,-0.0 0, 0.0 0.518 76.3 126.6 -83.9 -4.4 17.2 70.3 37.4 860 430 B Y < - 0 0 29 -3,-2.3 -4,-0.1 1,-0.1 -679,-0.0 -0.285 44.3-162.3 -54.8 136.2 15.9 66.8 37.9 861 431 B R 0 0 31 1,-0.2 -1,-0.1 -678,-0.0 -3,-0.0 0.366 360.0 360.0-105.4 4.7 18.4 64.4 36.3 862 432 B Y 0 0 3 -612,-0.0 -1,-0.2 0, 0.0 -641,-0.1 0.079 360.0 360.0 43.9 360.0 16.3 61.3 35.9