==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-MAY-11 2YHK . COMPND 2 MOLECULE: TYROSINE PHENOL-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR D.MILIC,T.V.DEMIDKINA,D.MATKOVIC-CALOGOVIC,A.A.ANTSON . 910 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 650 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 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 . 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 . 59 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 6 0 0 2 0 4 2 4 2 3 7 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 4 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 PARALLEL BRIDGES PER LADDER . 8 0 2 2 6 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 . 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 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 N 0 0 159 0, 0.0 322,-0.1 0, 0.0 318,-0.0 0.000 360.0 360.0 360.0 5.7 56.4 37.9 -2.7 2 3 A Y - 0 0 82 320,-0.0 314,-0.1 321,-0.0 318,-0.0 -0.894 360.0-149.4-118.0 107.9 57.6 40.7 -0.4 3 4 A P - 0 0 31 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.306 22.2-108.1 -70.3 153.7 60.0 43.2 -1.9 4 5 A A - 0 0 75 1,-0.2 312,-0.1 409,-0.0 0, 0.0 -0.329 54.7 -75.1 -69.0 159.9 62.7 45.1 0.1 5 6 A E - 0 0 62 1,-0.1 2,-1.2 311,-0.1 -1,-0.2 -0.393 40.5-139.3 -57.0 127.9 62.1 48.8 0.9 6 7 A P S S+ 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.222 80.3 45.2 -87.6 51.9 62.8 50.6 -2.4 7 8 A F S S- 0 0 73 -2,-1.2 2,-0.3 306,-0.0 -2,-0.0 -0.942 80.8-114.1-169.8 170.4 64.6 53.4 -0.5 8 9 A R - 0 0 237 -2,-0.3 2,-0.5 0, 0.0 0, 0.0 -0.767 37.1 -97.4-111.6 164.7 67.2 53.9 2.2 9 10 A I + 0 0 127 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.718 37.1 177.4 -80.6 121.3 66.8 55.4 5.6 10 11 A K - 0 0 166 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.847 69.2 -0.4 -86.5 -47.6 67.9 59.1 5.6 11 12 A S - 0 0 101 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.978 69.3-136.7-142.0 158.1 67.0 60.0 9.2 12 13 A V - 0 0 121 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.0 -0.823 10.9-129.7-117.4 156.8 65.5 58.2 12.1 13 14 A E - 0 0 125 -2,-0.3 2,-0.2 508,-0.0 508,-0.0 -0.904 28.4-124.7-104.1 127.1 62.9 59.0 14.8 14 15 A T - 0 0 133 -2,-0.5 2,-0.3 1,-0.0 0, 0.0 -0.514 33.8-172.2 -67.3 133.1 64.0 58.4 18.3 15 16 A V - 0 0 63 -2,-0.2 2,-0.4 26,-0.1 28,-0.1 -0.936 27.6-108.3-129.3 154.0 61.5 56.1 20.2 16 17 A S - 0 0 31 24,-0.4 0, 0.0 26,-0.4 0, 0.0 -0.659 18.8-161.8 -78.8 130.5 61.0 54.9 23.8 17 18 A M + 0 0 134 -2,-0.4 -1,-0.1 26,-0.0 24,-0.1 -0.323 28.8 167.3-101.6 44.7 61.9 51.3 24.2 18 19 A I - 0 0 32 1,-0.1 25,-0.1 356,-0.1 -2,-0.0 -0.401 33.1-116.3 -68.6 139.4 60.0 51.0 27.5 19 20 A P >> - 0 0 63 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.075 29.8 -94.3 -70.4 171.0 59.3 47.5 28.9 20 21 A R H 3> S+ 0 0 116 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.844 120.2 54.8 -53.4 -47.5 56.0 45.7 29.3 21 22 A D H 3> S+ 0 0 103 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.837 112.0 44.9 -63.2 -30.7 55.4 46.6 33.0 22 23 A E H <> S+ 0 0 88 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.865 110.2 53.8 -82.1 -39.1 55.8 50.3 32.2 23 24 A R H X S+ 0 0 36 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.937 105.3 55.2 -56.1 -45.4 53.6 50.0 29.1 24 25 A L H X S+ 0 0 52 -4,-3.0 4,-2.1 347,-0.2 -2,-0.2 0.925 108.4 48.3 -52.3 -46.3 50.9 48.5 31.4 25 26 A K H X S+ 0 0 124 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.888 112.3 48.2 -64.0 -38.6 51.2 51.5 33.6 26 27 A K H X S+ 0 0 53 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.912 111.3 50.6 -65.7 -41.4 50.9 53.9 30.6 27 28 A M H <>S+ 0 0 0 -4,-3.1 5,-2.9 2,-0.2 6,-0.3 0.869 111.8 48.1 -65.4 -34.4 47.9 52.0 29.3 28 29 A Q H ><5S+ 0 0 82 -4,-2.1 3,-1.9 -5,-0.3 -1,-0.2 0.911 108.8 51.6 -73.5 -40.6 46.3 52.2 32.7 29 30 A E H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.800 108.0 54.4 -63.1 -29.7 47.0 56.0 33.0 30 31 A A T ><5S- 0 0 4 -4,-1.7 3,-1.9 -5,-0.2 6,-0.3 0.256 117.2-118.6 -83.6 10.9 45.3 56.2 29.5 31 32 A G T < 5 - 0 0 5 -3,-1.9 421,-2.6 1,-0.3 -3,-0.2 0.805 64.6 -65.6 51.5 33.8 42.2 54.4 31.0 32 33 A Y T 3 S+ 0 0 1 -2,-0.6 3,-1.6 1,-0.3 -1,-0.1 0.807 90.9 69.4 -60.3 -27.2 44.8 53.9 23.0 35 36 A F G 3 S+ 0 0 8 412,-0.3 -1,-0.3 1,-0.3 413,-0.1 0.710 97.7 52.6 -59.3 -22.8 43.6 57.3 21.8 36 37 A L G < S+ 0 0 38 -3,-2.2 -1,-0.3 -6,-0.3 -2,-0.2 0.423 83.3 113.7 -94.8 -3.1 44.8 58.8 25.2 37 38 A L S < S- 0 0 3 -3,-1.6 2,-0.4 -4,-0.3 -10,-0.1 -0.415 71.6-114.5 -67.7 148.5 48.4 57.4 25.0 38 39 A N > - 0 0 45 1,-0.1 3,-1.8 -2,-0.1 491,-0.2 -0.669 15.5-132.9 -78.5 133.6 51.3 59.8 24.7 39 40 A S G > S+ 0 0 15 489,-2.1 3,-2.0 -2,-0.4 490,-0.1 0.880 105.7 63.0 -49.4 -41.9 53.1 59.6 21.4 40 41 A K G 3 S+ 0 0 96 488,-0.5 -24,-0.4 1,-0.3 -1,-0.3 0.674 100.5 54.8 -61.4 -16.4 56.5 59.6 23.4 41 42 A D G < S+ 0 0 9 -3,-1.8 2,-0.4 -26,-0.1 -1,-0.3 0.282 91.4 90.4 -99.9 10.3 55.4 56.3 25.0 42 43 A I < - 0 0 8 -3,-2.0 -26,-0.4 1,-0.2 3,-0.2 -0.910 49.0-170.3-120.5 131.9 54.8 54.4 21.8 43 44 A Y S S+ 0 0 57 331,-1.5 2,-0.5 -2,-0.4 332,-0.2 0.939 86.5 17.5 -82.4 -52.3 57.2 52.2 19.9 44 45 A I E S-a 375 0A 0 330,-2.0 332,-2.6 371,-0.0 2,-0.8 -0.981 74.3-158.6-128.4 114.2 55.1 51.6 16.7 45 46 A D E +a 376 0A 20 -2,-0.5 3,-0.3 330,-0.2 332,-0.1 -0.833 24.2 160.8-104.7 101.3 52.2 53.9 16.2 46 47 A L E +a 377 0A 0 330,-2.5 359,-2.4 -2,-0.8 332,-0.5 0.003 36.8 117.5-107.6 26.2 49.6 52.4 13.9 47 48 A L S S- 0 0 0 330,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.909 87.9 -13.9 -56.5 -43.1 46.7 54.7 15.0 48 49 A T - 0 0 7 -3,-0.3 -1,-0.2 357,-0.3 478,-0.1 -0.994 40.8-142.3-159.7 152.0 46.5 56.1 11.5 49 50 A D S S+ 0 0 0 -2,-0.3 2,-0.8 357,-0.1 359,-0.4 0.302 75.2 107.8 -90.4 3.8 48.2 56.3 8.1 50 51 A S S S- 0 0 5 1,-0.2 206,-0.2 2,-0.1 205,-0.1 -0.749 97.4 -16.1 -92.1 113.9 46.9 59.9 7.7 51 52 A G S S+ 0 0 2 204,-3.4 -1,-0.2 -2,-0.8 205,-0.1 0.471 110.3 99.3 80.6 4.9 49.6 62.6 8.1 52 53 A T + 0 0 20 203,-0.3 209,-0.1 -3,-0.2 -2,-0.1 0.230 51.3 129.5-110.1 8.9 52.1 60.2 9.7 53 54 A N - 0 0 5 207,-0.6 2,-0.6 202,-0.3 356,-0.2 -0.257 60.7-118.7 -69.8 148.8 54.2 59.5 6.5 54 55 A A - 0 0 34 354,-2.6 2,-0.1 206,-0.0 -1,-0.1 -0.821 31.2-144.3 -82.0 127.5 58.0 59.7 6.3 55 56 A M - 0 0 21 -2,-0.6 2,-0.1 1,-0.1 205,-0.1 -0.413 16.0-113.5 -82.1 164.4 59.0 62.3 3.7 56 57 A S > - 0 0 18 203,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.432 26.3-104.4 -89.4 172.5 62.0 61.9 1.4 57 58 A D H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.839 122.9 55.5 -55.9 -42.7 65.2 63.9 1.2 58 59 A K H > S+ 0 0 143 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 107.8 47.2 -64.6 -38.9 63.8 65.6 -1.9 59 60 A Q H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.870 111.2 51.8 -64.9 -40.7 60.6 66.7 -0.1 60 61 A W H X S+ 0 0 70 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.862 107.8 52.1 -66.1 -31.9 62.7 68.0 2.8 61 62 A A H >< S+ 0 0 56 -4,-2.0 3,-0.8 2,-0.2 4,-0.5 0.928 109.2 49.8 -65.7 -43.6 64.8 70.0 0.3 62 63 A G H >< S+ 0 0 6 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.878 103.3 61.2 -59.8 -38.1 61.5 71.4 -1.0 63 64 A M H >< S+ 0 0 1 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.760 101.5 52.7 -60.3 -27.5 60.6 72.2 2.6 64 65 A M T << S+ 0 0 104 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.618 104.0 57.8 -79.4 -17.5 63.7 74.5 2.7 65 66 A M T < S+ 0 0 127 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.128 72.4 154.4-103.7 30.2 62.5 76.3 -0.4 66 67 A G < - 0 0 20 -3,-0.7 2,-0.8 1,-0.1 -3,-0.1 -0.513 31.6-158.2 -67.6 123.3 59.1 77.4 1.0 67 68 A D - 0 0 17 -2,-0.3 8,-0.3 1,-0.1 9,-0.2 -0.928 9.0-169.3-102.0 102.4 58.0 80.5 -0.9 68 69 A E + 0 0 32 -2,-0.8 -1,-0.1 227,-0.1 441,-0.1 0.316 31.2 139.9 -88.8 12.1 55.6 81.9 1.8 69 70 A A - 0 0 9 1,-0.1 4,-0.3 3,-0.1 3,-0.1 -0.147 57.6-129.7 -59.6 144.3 54.0 84.6 -0.4 70 71 A Y S S+ 0 0 22 1,-0.2 2,-0.3 434,-0.1 219,-0.3 0.791 92.5 12.9 -67.9 -31.0 50.2 85.1 0.0 71 72 A A S S+ 0 0 1 217,-0.1 -1,-0.2 1,-0.1 432,-0.1 -0.988 122.5 28.1-141.3 150.0 49.8 84.9 -3.8 72 73 A G S S+ 0 0 6 -2,-0.3 423,-2.3 1,-0.2 424,-0.5 0.661 71.8 167.7 81.8 14.1 52.0 83.9 -6.6 73 74 A S > - 0 0 0 -4,-0.3 4,-2.1 216,-0.3 3,-0.4 -0.429 41.2-135.0 -61.3 133.6 54.1 81.4 -4.6 74 75 A E H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.804 107.5 58.8 -50.7 -35.0 56.4 79.1 -6.7 75 76 A N H > S+ 0 0 3 -8,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.887 103.9 49.0 -67.7 -38.6 55.1 76.3 -4.5 76 77 A F H > S+ 0 0 24 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.934 111.4 50.0 -63.9 -45.2 51.5 76.9 -5.4 77 78 A Y H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.882 111.5 49.1 -60.6 -38.3 52.5 76.9 -9.1 78 79 A H H X S+ 0 0 32 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.950 113.7 45.4 -64.7 -50.6 54.4 73.6 -8.7 79 80 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.916 113.4 51.2 -56.7 -46.1 51.4 72.0 -6.9 80 81 A E H X S+ 0 0 53 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.938 113.4 42.0 -60.2 -49.8 48.9 73.3 -9.4 81 82 A R H X S+ 0 0 128 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.853 112.6 54.7 -73.4 -27.8 50.8 72.0 -12.5 82 83 A T H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.934 111.8 43.6 -65.9 -47.3 51.7 68.7 -10.8 83 84 A V H X>S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-1.2 0.935 113.0 51.9 -66.4 -42.6 47.9 68.0 -10.1 84 85 A Q H X5S+ 0 0 71 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.935 116.0 42.2 -58.3 -43.5 46.9 69.1 -13.6 85 86 A E H <5S+ 0 0 109 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.946 124.2 32.8 -68.4 -49.6 49.4 66.8 -15.1 86 87 A L H <5S+ 0 0 12 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.865 131.7 28.3 -83.7 -35.2 48.9 63.7 -12.9 87 88 A F H <5S- 0 0 2 -4,-2.9 -3,-0.2 -5,-0.3 -1,-0.1 0.692 94.5-137.6 -98.4 -22.3 45.1 63.9 -12.1 88 89 A G << + 0 0 37 -5,-1.2 2,-0.2 -4,-0.7 -4,-0.2 0.616 50.1 141.2 78.1 13.1 44.1 65.7 -15.3 89 90 A F - 0 0 4 -6,-0.5 -1,-0.2 1,-0.1 180,-0.2 -0.632 52.1-134.6 -86.9 147.6 41.6 68.3 -13.9 90 91 A K S S+ 0 0 106 -2,-0.2 2,-0.4 1,-0.1 179,-0.2 0.905 85.1 38.1 -60.8 -45.7 41.5 71.9 -15.2 91 92 A H E -B 268 0B 27 177,-2.6 177,-1.7 -8,-0.1 2,-0.4 -0.895 60.1-170.5-124.3 139.3 41.3 73.6 -11.8 92 93 A I E -B 267 0B 4 -2,-0.4 175,-0.2 175,-0.2 -12,-0.1 -0.983 2.5-173.7-126.8 137.2 43.0 73.0 -8.4 93 94 A V E -B 266 0B 0 173,-2.7 173,-2.4 -2,-0.4 196,-0.1 -0.966 23.6-135.6-127.9 111.6 42.2 74.7 -5.1 94 95 A P E -B 265 0B 1 0, 0.0 2,-0.3 0, 0.0 171,-0.3 -0.333 23.3-174.8 -65.1 151.8 44.5 73.8 -2.2 95 96 A T E -B 264 0B 0 169,-2.2 169,-1.7 157,-0.1 197,-0.2 -0.946 40.0-110.0-139.4 163.7 43.0 73.0 1.2 96 97 A H S S- 0 0 0 -2,-0.3 167,-1.8 167,-0.2 2,-0.3 0.860 94.5 -28.8 -70.1 -30.8 44.7 72.3 4.5 97 98 A Q S >> S- 0 0 2 165,-0.2 4,-1.2 166,-0.1 3,-0.8 -0.929 81.8 -70.5-164.4-171.5 43.6 68.7 4.3 98 99 A G H 3> S+ 0 0 9 165,-0.4 4,-2.0 -2,-0.3 3,-0.2 0.849 121.9 54.6 -61.8 -40.9 40.8 66.5 2.8 99 100 A R H 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.791 103.1 59.0 -70.5 -20.9 37.9 67.4 4.9 100 101 A G H <> S+ 0 0 0 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.913 107.2 47.3 -66.2 -39.9 38.5 71.1 4.0 101 102 A A H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.2 -2,-0.2 0.876 111.5 50.7 -66.8 -38.0 38.0 70.1 0.3 102 103 A E H X S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.872 104.9 57.0 -68.0 -40.5 34.8 68.1 1.2 103 104 A N H X S+ 0 0 3 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.913 112.0 42.5 -52.7 -47.3 33.5 71.1 3.1 104 105 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 3,-0.5 0.941 113.7 50.9 -66.2 -48.0 33.8 73.2 -0.1 105 106 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 3,-0.4 0.912 107.5 52.9 -58.3 -44.9 32.5 70.5 -2.4 106 107 A S H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.841 112.3 45.4 -59.2 -35.0 29.4 69.9 -0.3 107 108 A Q H < S+ 0 0 43 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.716 116.8 45.6 -81.0 -22.1 28.5 73.6 -0.4 108 109 A L H < S+ 0 0 37 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.725 121.5 31.0 -92.3 -24.2 29.2 73.9 -4.1 109 110 A A H < S+ 0 0 8 -4,-2.0 2,-0.5 -5,-0.2 -2,-0.2 0.446 98.4 83.6-122.5 -3.0 27.4 70.8 -5.4 110 111 A I < - 0 0 14 -4,-0.9 24,-0.1 -5,-0.2 -1,-0.0 -0.917 48.5-165.5-115.9 125.7 24.4 70.1 -3.2 111 112 A K > - 0 0 147 -2,-0.5 3,-1.9 4,-0.1 64,-0.1 -0.852 45.9 -88.0 -97.2 141.9 20.9 71.6 -3.2 112 113 A P T 3 S+ 0 0 112 0, 0.0 22,-0.2 0, 0.0 21,-0.2 -0.186 113.3 21.5 -48.6 130.4 18.7 71.1 -0.1 113 114 A G T 3 S+ 0 0 57 20,-2.5 21,-0.2 1,-0.3 2,-0.1 0.423 94.1 123.7 90.1 -1.5 16.7 67.8 -0.4 114 115 A Q < - 0 0 27 -3,-1.9 21,-1.9 19,-0.1 2,-0.3 -0.460 57.7-118.9 -86.1 164.4 18.9 66.1 -3.0 115 116 A Y E -cd 135 174B 50 58,-2.8 60,-2.2 19,-0.2 61,-0.8 -0.806 13.5-159.2-100.9 145.8 20.6 62.7 -2.6 116 117 A V E -cd 136 176B 0 19,-2.1 21,-2.7 -2,-0.3 2,-0.4 -0.997 16.2-164.9-113.9 126.2 24.3 62.0 -2.6 117 118 A A E +cd 137 177B 0 59,-1.6 61,-2.8 -2,-0.5 2,-0.3 -0.923 18.0 150.5-114.8 140.2 25.0 58.3 -3.4 118 119 A G E -cd 138 178B 0 19,-2.1 21,-2.8 -2,-0.4 2,-1.6 -0.972 56.3 -85.2-156.2 172.6 28.4 56.6 -2.8 119 120 A N S S- 0 0 1 59,-0.9 61,-0.2 -2,-0.3 19,-0.1 -0.668 98.2 -51.6 -85.6 86.3 30.3 53.4 -2.0 120 121 A M S S- 0 0 21 -2,-1.6 2,-0.3 63,-0.1 19,-0.1 -0.077 78.2-101.2 65.2-172.8 30.0 53.7 1.7 121 122 A Y - 0 0 84 -3,-0.1 2,-0.4 17,-0.1 64,-0.3 -0.935 4.8-125.6-144.2 158.5 30.9 57.0 3.5 122 123 A F > - 0 0 69 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.918 34.2-126.6 -99.9 133.1 33.5 58.8 5.5 123 124 A T H > S+ 0 0 100 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.901 105.8 43.9 -49.9 -50.4 32.0 60.2 8.8 124 125 A T H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 113.8 51.2 -66.5 -39.7 33.1 63.9 8.4 125 126 A T H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 109.0 50.4 -60.9 -47.0 32.1 64.0 4.6 126 127 A R H X S+ 0 0 77 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.903 107.3 56.4 -59.6 -38.1 28.6 62.6 5.4 127 128 A Y H X S+ 0 0 85 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.946 109.4 44.1 -56.7 -50.4 28.3 65.3 8.1 128 129 A H H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.928 112.5 52.8 -60.6 -45.9 29.0 68.1 5.5 129 130 A Q H <>S+ 0 0 4 -4,-2.7 5,-2.2 1,-0.2 3,-0.3 0.947 113.6 42.1 -55.9 -51.0 26.7 66.5 2.9 130 131 A E H ><5S+ 0 0 87 -4,-2.8 3,-1.5 3,-0.2 -1,-0.2 0.812 107.9 60.0 -67.3 -31.2 23.8 66.4 5.5 131 132 A K H 3<5S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.844 104.9 50.7 -67.1 -29.4 24.6 69.9 6.8 132 133 A N T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.368 129.9-102.0 -85.3 3.9 23.9 71.1 3.2 133 134 A G T < 5S+ 0 0 32 -3,-1.5 -20,-2.5 1,-0.3 -3,-0.2 0.634 74.1 139.5 89.2 15.6 20.6 69.1 3.3 134 135 A A < - 0 0 6 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.592 47.0-136.9 -82.5 152.4 21.5 66.0 1.3 135 136 A V E -c 115 0B 81 -21,-1.9 -19,-2.1 -2,-0.2 2,-0.4 -0.955 23.5-135.1-102.2 127.7 20.4 62.5 2.2 136 137 A F E -c 116 0B 19 -2,-0.5 2,-0.5 -21,-0.2 -19,-0.2 -0.698 18.2-166.9 -85.2 133.4 23.2 60.0 1.8 137 138 A V E -c 117 0B 40 -21,-2.7 -19,-2.1 -2,-0.4 2,-0.6 -0.978 16.0-137.5-121.0 125.8 22.5 56.7 0.0 138 139 A D E +c 118 0B 50 -2,-0.5 -19,-0.2 -21,-0.2 -21,-0.1 -0.695 26.9 169.7 -86.0 118.8 25.0 53.8 0.2 139 140 A I + 0 0 2 -21,-2.8 19,-2.9 -2,-0.6 23,-0.2 0.148 29.9 131.9-114.0 17.8 25.3 52.1 -3.3 140 141 A V B -H 157 0C 0 -22,-0.6 17,-0.2 17,-0.3 16,-0.1 -0.284 69.4 -91.6 -64.4 152.5 28.3 49.9 -2.5 141 142 A R > - 0 0 62 15,-2.3 3,-1.6 13,-0.2 4,-0.3 -0.397 36.6-116.3 -63.8 147.7 28.1 46.2 -3.5 142 143 A D G > S+ 0 0 95 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.812 109.8 67.8 -57.5 -34.5 26.8 44.0 -0.7 143 144 A E G > S+ 0 0 69 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.755 83.6 72.7 -58.5 -29.1 30.1 42.1 -0.4 144 145 A A G < S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.810 95.9 52.4 -54.2 -33.8 31.8 45.2 1.0 145 146 A H G < S+ 0 0 56 -3,-1.7 2,-1.0 -4,-0.3 -1,-0.3 0.405 88.9 87.3 -80.4 -6.8 29.8 44.7 4.3 146 147 A D X - 0 0 85 -3,-1.9 3,-1.5 -4,-0.2 191,-0.2 -0.803 62.6-168.2-100.2 96.4 31.0 41.0 4.6 147 148 A A T 3 S+ 0 0 16 -2,-1.0 190,-2.7 1,-0.3 -1,-0.2 0.781 80.3 47.9 -56.3 -34.5 34.2 41.4 6.5 148 149 A G T 3 S+ 0 0 33 188,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.572 82.7 110.6 -87.0 -9.7 35.4 37.8 6.0 149 150 A L < - 0 0 62 -3,-1.5 2,-1.4 -6,-0.2 -3,-0.1 -0.543 57.2-149.1 -82.4 119.2 34.8 37.5 2.2 150 151 A N + 0 0 95 -2,-0.5 2,-0.3 186,-0.0 -1,-0.1 -0.595 43.0 133.2 -92.3 82.0 37.9 37.3 0.1 151 152 A I > - 0 0 49 -2,-1.4 3,-0.5 186,-0.2 2,-0.1 -0.947 54.1-107.6-128.4 154.0 37.0 38.9 -3.2 152 153 A A T 3 S+ 0 0 46 -2,-0.3 40,-0.1 1,-0.2 37,-0.0 -0.329 94.4 13.7 -73.3 154.0 38.7 41.4 -5.5 153 154 A F T > + 0 0 19 1,-0.1 3,-1.5 38,-0.1 39,-0.2 0.844 67.6 166.9 47.6 48.7 37.5 45.0 -5.8 154 155 A K T < + 0 0 0 -3,-0.5 -10,-0.2 1,-0.3 -13,-0.2 0.663 67.3 67.3 -62.0 -20.8 35.2 44.9 -2.9 155 156 A G T 3 S+ 0 0 0 35,-1.9 -1,-0.3 -15,-0.1 36,-0.2 0.557 74.4 125.9 -80.3 -8.6 34.8 48.7 -3.0 156 157 A D < - 0 0 20 -3,-1.5 -15,-2.3 34,-0.5 2,-0.2 -0.120 64.4-112.9 -52.9 144.4 32.9 48.6 -6.3 157 158 A I B -H 140 0C 5 -17,-0.2 2,-0.8 -38,-0.1 -17,-0.3 -0.566 23.5-121.5 -74.4 139.8 29.6 50.3 -6.7 158 159 A D >> - 0 0 38 -19,-2.9 4,-2.1 -2,-0.2 3,-0.5 -0.767 21.3-159.7 -79.0 107.6 26.5 48.1 -7.3 159 160 A L H 3> S+ 0 0 61 -2,-0.8 4,-2.8 1,-0.3 -1,-0.2 0.771 89.4 57.8 -64.9 -25.0 25.2 49.5 -10.6 160 161 A K H 3> S+ 0 0 169 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.843 105.6 49.8 -73.1 -36.1 21.8 48.0 -9.9 161 162 A K H <> S+ 0 0 54 -3,-0.5 4,-2.3 -22,-0.2 -2,-0.2 0.916 111.8 49.2 -63.8 -44.1 21.6 50.0 -6.7 162 163 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 -23,-0.2 -2,-0.2 0.949 111.5 48.6 -58.8 -48.7 22.6 53.1 -8.7 163 164 A Q H X S+ 0 0 65 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.915 109.7 52.6 -57.9 -44.9 19.9 52.3 -11.3 164 165 A K H X S+ 0 0 122 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.905 108.2 50.8 -58.2 -44.6 17.3 51.8 -8.6 165 166 A L H X>S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 5,-0.6 0.943 110.1 49.6 -57.4 -49.5 18.1 55.2 -7.1 166 167 A I H X5S+ 0 0 7 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.874 115.8 43.2 -57.8 -38.8 17.8 56.9 -10.5 167 168 A D H <5S+ 0 0 116 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.865 118.0 43.0 -78.7 -34.5 14.4 55.3 -11.1 168 169 A E H <5S+ 0 0 128 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.878 130.2 21.1 -79.6 -39.0 13.0 55.8 -7.6 169 170 A K H <5S- 0 0 80 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.706 103.9-115.5-106.4 -25.0 14.1 59.4 -7.0 170 171 A G ><< - 0 0 17 -4,-1.2 3,-1.2 -5,-0.6 -3,-0.1 0.243 22.7-100.2 90.1 141.0 14.8 60.9 -10.4 171 172 A A G > S+ 0 0 18 1,-0.3 3,-2.1 -5,-0.2 -1,-0.1 0.867 118.5 61.8 -63.9 -39.6 18.2 62.1 -11.8 172 173 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.670 100.5 57.8 -61.4 -17.2 17.5 65.8 -11.1 173 174 A N G < S+ 0 0 66 -3,-1.2 -58,-2.8 -7,-0.1 2,-0.6 0.355 87.1 87.0 -96.7 3.6 17.3 64.9 -7.4 174 175 A I E < -d 115 0B 7 -3,-2.1 35,-0.3 -60,-0.2 -58,-0.2 -0.931 57.8-166.4-104.9 114.9 20.7 63.4 -7.2 175 176 A A E - 0 0 5 -60,-2.2 34,-0.5 -2,-0.6 2,-0.3 0.935 64.0 -51.5 -60.0 -51.9 23.4 66.0 -6.5 176 177 A Y E -de 116 209B 0 -61,-0.8 -59,-1.6 32,-0.1 2,-0.5 -0.958 48.7 -96.9-172.9 166.9 26.2 63.7 -7.4 177 178 A I E -de 117 210B 0 32,-2.4 34,-2.6 -2,-0.3 2,-0.8 -0.879 30.7-151.4 -93.0 129.9 27.8 60.3 -7.0 178 179 A C E -de 118 211B 13 -61,-2.8 -59,-0.9 -2,-0.5 2,-0.7 -0.873 13.4-168.8-103.6 103.1 30.7 60.3 -4.5 179 180 A L E - e 0 212B 0 32,-2.2 34,-2.1 -2,-0.8 2,-0.4 -0.825 5.7-157.7-100.7 114.0 33.1 57.5 -5.5 180 181 A A E - e 0 213B 18 -2,-0.7 2,-0.4 32,-0.2 34,-0.2 -0.743 6.6-138.4 -94.7 136.5 35.7 56.8 -2.8 181 182 A V S S+ 0 0 0 32,-2.1 35,-2.4 -2,-0.4 36,-0.2 -0.978 87.6 13.1-134.8 121.3 39.1 55.1 -3.6 182 183 A T S S- 0 0 1 7,-0.4 2,-0.7 -2,-0.4 -1,-0.2 0.772 92.7-122.7 -83.9-176.9 39.9 53.1 -1.6 183 184 A V B > > -I 189 0D 2 6,-2.8 5,-2.4 1,-0.2 6,-1.7 -0.785 20.3-168.1 -96.4 107.6 36.8 52.3 0.6 184 185 A N G > 5S+ 0 0 25 -2,-0.7 3,-2.5 1,-0.2 -1,-0.2 0.927 83.0 51.6 -53.0 -58.9 37.5 52.9 4.3 185 186 A L G 3 5S+ 0 0 75 1,-0.3 -1,-0.2 -64,-0.3 -65,-0.1 0.565 108.2 52.3 -69.6 -8.9 34.5 51.2 5.9 186 187 A A G < 5S- 0 0 1 -3,-0.8 -1,-0.3 3,-0.1 -2,-0.2 0.351 131.3 -92.3-100.8 3.3 35.1 48.0 3.9 187 188 A G T < 5S- 0 0 2 -3,-2.5 153,-0.4 -4,-0.2 156,-0.3 0.759 79.9 -47.2 92.0 30.6 38.7 47.9 5.2 188 189 A G S - 0 0 8 -2,-0.4 4,-2.2 -39,-0.2 5,-0.2 -0.436 14.4-123.8 -81.7 155.9 38.1 48.6 -10.5 193 194 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 113.9 59.5 -58.9 -39.4 38.6 50.7 -13.6 194 195 A A H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 106.9 46.0 -55.1 -44.0 35.7 48.8 -15.1 195 196 A N H > S+ 0 0 11 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.932 110.7 51.2 -66.9 -45.9 33.4 50.0 -12.3 196 197 A M H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.883 113.9 47.0 -56.3 -39.4 34.6 53.6 -12.5 197 198 A R H X S+ 0 0 80 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.924 113.1 46.4 -66.4 -49.0 33.8 53.5 -16.3 198 199 A A H X S+ 0 0 30 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.913 112.1 51.0 -65.8 -42.3 30.4 51.9 -15.9 199 200 A V H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 5,-0.3 0.934 112.1 47.8 -56.6 -45.9 29.5 54.4 -13.1 200 201 A R H X S+ 0 0 49 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.929 111.2 50.9 -62.7 -43.4 30.5 57.2 -15.4 201 202 A E H X S+ 0 0 143 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.943 113.6 43.2 -60.5 -49.7 28.6 55.8 -18.4 202 203 A L H X S+ 0 0 34 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.938 117.6 45.0 -64.1 -46.1 25.4 55.4 -16.5 203 204 A T H ><>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 3,-0.7 0.906 110.5 53.3 -65.5 -42.2 25.6 58.8 -14.7 204 205 A E H ><5S+ 0 0 59 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.851 102.8 58.0 -63.6 -36.1 26.6 60.8 -17.8 205 206 A A H 3<5S+ 0 0 84 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.826 114.2 39.4 -61.4 -30.5 23.6 59.4 -19.7 206 207 A H T <<5S- 0 0 79 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.367 115.4-113.6-101.1 2.5 21.4 60.9 -16.9 207 208 A G T < 5 + 0 0 66 -3,-0.9 2,-0.4 -4,-0.4 -3,-0.2 0.729 65.0 149.1 71.8 24.1 23.4 64.2 -16.5 208 209 A I < - 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