==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-MAR-11 2YCN . COMPND 2 MOLECULE: TYROSINE PHENOL-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR D.MILIC,T.V.DEMIDKINA,N.G.FALEEV,R.S.PHILLIPS,D.MATKOVIC-CAL . 914 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 644 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.1 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 . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 5 0 0 2 0 4 2 4 2 5 5 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 . 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 1 A M 0 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.2 7.6 104.7 -5.4 2 2 A N + 0 0 122 1,-0.3 322,-0.1 322,-0.0 0, 0.0 0.935 360.0 15.7 -63.1 -50.4 10.0 105.3 -2.5 3 3 A Y S S- 0 0 64 320,-0.1 -1,-0.3 321,-0.0 314,-0.1 -0.754 79.9-164.1-131.5 86.4 8.3 102.9 -0.1 4 4 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.271 25.3-108.2 -64.9 154.6 5.9 100.4 -1.7 5 5 A A - 0 0 71 1,-0.2 312,-0.1 409,-0.0 0, 0.0 -0.321 52.9 -71.5 -74.6 163.8 3.4 98.5 0.3 6 6 A E - 0 0 64 1,-0.2 2,-0.4 311,-0.1 -1,-0.2 -0.407 39.0-141.6 -59.4 127.9 3.9 94.7 0.9 7 7 A P S S+ 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.248 82.7 47.6 -86.0 42.0 3.2 92.9 -2.4 8 8 A F S S- 0 0 70 -2,-0.4 2,-0.3 306,-0.0 -2,-0.0 -0.950 81.8-116.2-164.7 170.5 1.5 90.1 -0.4 9 9 A R - 0 0 235 -2,-0.3 2,-0.5 0, 0.0 0, 0.0 -0.766 38.0 -98.2-109.8 164.7 -1.1 89.7 2.4 10 10 A I + 0 0 126 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.734 36.8 178.7 -81.5 124.4 -0.5 88.2 5.8 11 11 A K - 0 0 163 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.843 68.2 -2.6 -89.5 -45.5 -1.6 84.5 5.8 12 12 A S - 0 0 99 2,-0.0 -1,-0.4 0, 0.0 2,-0.3 -0.984 66.7-152.5-146.9 158.8 -0.7 83.7 9.4 13 13 A V - 0 0 125 -2,-0.3 2,-0.3 -3,-0.1 398,-0.0 -0.804 8.2-148.4-125.2 164.4 0.9 85.5 12.4 14 14 A E - 0 0 140 -2,-0.3 509,-0.0 509,-0.0 -2,-0.0 -0.999 35.3-107.1-127.6 141.2 3.0 84.8 15.6 15 15 A T - 0 0 133 -2,-0.3 2,-0.4 1,-0.0 0, 0.0 -0.260 29.3-159.1 -61.7 143.4 2.7 87.0 18.7 16 16 A V + 0 0 61 2,-0.0 2,-0.3 29,-0.0 28,-0.1 -0.970 16.2 167.0-117.9 147.6 5.5 89.5 19.7 17 17 A S - 0 0 90 -2,-0.4 2,-0.5 26,-0.3 0, 0.0 -0.975 26.1-133.0-150.7 163.6 6.1 90.9 23.2 18 18 A M - 0 0 93 -2,-0.3 3,-0.1 26,-0.1 25,-0.1 -0.988 12.4-146.2-126.4 124.6 8.6 92.8 25.2 19 19 A I - 0 0 33 -2,-0.5 5,-0.1 23,-0.2 25,-0.1 -0.526 44.0 -82.2 -75.9 151.5 9.8 92.0 28.7 20 20 A P > - 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.044 36.3-107.3 -57.9 164.0 10.7 95.0 30.9 21 21 A R H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.931 120.6 51.5 -53.5 -50.0 14.1 96.9 30.8 22 22 A D H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.854 110.8 48.6 -58.8 -35.0 15.1 95.3 34.2 23 23 A E H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 110.9 50.0 -72.3 -43.0 14.3 91.8 32.9 24 24 A R H X S+ 0 0 15 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.799 107.4 56.5 -55.9 -35.8 16.3 92.5 29.7 25 25 A L H X S+ 0 0 73 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.912 107.7 45.1 -66.9 -46.9 19.2 93.7 31.9 26 26 A K H >X S+ 0 0 111 -4,-1.8 4,-2.5 1,-0.2 3,-1.0 0.991 114.5 52.0 -58.3 -57.2 19.4 90.5 33.9 27 27 A K H 3X S+ 0 0 48 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.813 107.1 50.8 -40.5 -48.2 19.1 88.7 30.5 28 28 A M H 3<>S+ 0 0 1 -4,-2.3 5,-2.6 1,-0.2 -1,-0.2 0.804 112.5 47.8 -69.5 -28.0 22.0 90.7 28.9 29 29 A Q H X<5S+ 0 0 124 -4,-1.5 3,-2.0 -3,-1.0 -2,-0.2 0.924 109.7 50.7 -76.0 -44.0 24.2 89.9 31.8 30 30 A E H 3<5S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.730 106.6 55.2 -70.1 -24.7 23.4 86.1 31.8 31 31 A A T ><5S- 0 0 5 -4,-1.5 3,-1.4 -5,-0.2 -1,-0.3 0.277 118.2-116.7 -82.6 5.7 24.2 86.0 28.0 32 32 A G T < 5 - 0 0 2 -3,-2.0 421,-3.4 1,-0.3 -3,-0.2 0.879 64.9 -63.2 60.3 40.5 27.6 87.5 29.0 33 33 A Y T 3 S+ 0 0 0 -2,-0.6 3,-2.1 1,-0.3 -1,-0.2 0.856 92.7 69.8 -50.6 -36.0 23.3 89.1 21.9 36 36 A F G 3 S+ 0 0 2 1,-0.3 -1,-0.3 412,-0.2 494,-0.1 0.702 96.0 54.3 -51.3 -22.7 23.9 85.7 20.3 37 37 A L G < S+ 0 0 52 -3,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 0.471 83.8 105.1 -99.9 -3.1 23.3 84.2 23.7 38 38 A L S < S- 0 0 5 -3,-2.1 2,-0.4 -4,-0.3 5,-0.1 -0.361 73.8-110.4 -68.1 161.6 19.9 85.8 24.3 39 39 A N > - 0 0 39 1,-0.1 3,-2.0 -2,-0.0 491,-0.2 -0.802 15.1-126.8-102.2 137.3 16.7 83.6 24.1 40 40 A S G > S+ 0 0 19 490,-1.6 3,-1.6 -2,-0.4 491,-0.2 0.805 108.6 54.3 -50.8 -44.2 14.1 84.0 21.3 41 41 A K G 3 S+ 0 0 113 489,-0.6 -1,-0.3 1,-0.3 -24,-0.1 0.760 104.1 58.2 -68.3 -18.7 11.1 84.3 23.6 42 42 A D G < S+ 0 0 10 -3,-2.0 2,-0.5 488,-0.2 -1,-0.3 0.247 93.2 86.9 -85.5 6.1 12.9 87.2 25.4 43 43 A I < - 0 0 13 -3,-1.6 -26,-0.3 1,-0.1 3,-0.2 -0.940 56.3-166.5-115.3 131.2 13.2 89.2 22.2 44 44 A Y S S+ 0 0 43 331,-1.6 2,-0.5 -2,-0.5 332,-0.2 0.954 84.1 9.6 -79.7 -57.1 10.6 91.6 20.9 45 45 A I E S-a 376 0A 0 330,-0.9 332,-1.9 -29,-0.1 2,-0.9 -0.994 79.8-146.9-124.7 121.8 11.7 92.2 17.2 46 46 A D E +a 377 0A 19 -2,-0.5 3,-0.3 330,-0.2 332,-0.1 -0.762 33.6 156.9-103.3 98.3 14.6 89.9 16.2 47 47 A L + 0 0 0 330,-1.8 359,-2.5 -2,-0.9 332,-0.4 -0.007 37.5 115.9-107.2 27.3 17.1 91.4 13.8 48 48 A L S S- 0 0 1 1,-0.2 2,-0.3 330,-0.2 -1,-0.2 0.922 87.4 -16.7 -57.8 -45.2 19.9 89.2 14.7 49 49 A T - 0 0 1 -3,-0.3 -1,-0.2 357,-0.3 479,-0.1 -0.992 39.6-138.9-160.6 153.5 20.0 87.7 11.2 50 50 A D S S+ 0 0 0 -2,-0.3 2,-0.8 357,-0.1 359,-0.3 0.164 73.5 115.7 -93.6 13.5 18.1 87.3 7.9 51 51 A S S S- 0 0 2 864,-0.4 206,-0.2 1,-0.2 205,-0.1 -0.752 95.2 -22.8 -92.4 110.9 19.4 83.7 7.8 52 52 A G S S+ 0 0 2 204,-3.1 -1,-0.2 -2,-0.8 205,-0.1 0.566 112.2 100.7 74.7 7.8 16.6 81.1 8.1 53 53 A T + 0 0 22 203,-0.4 209,-0.1 -3,-0.2 -2,-0.1 0.283 50.8 123.9-107.7 5.1 14.2 83.5 9.8 54 54 A N - 0 0 5 207,-0.6 2,-0.5 202,-0.3 356,-0.2 -0.260 64.0-115.6 -68.2 153.0 12.1 84.3 6.6 55 55 A A - 0 0 35 354,-2.6 2,-0.1 206,-0.0 -1,-0.1 -0.808 29.9-142.7 -88.5 129.9 8.3 83.9 6.4 56 56 A M - 0 0 21 -2,-0.5 2,-0.2 1,-0.1 205,-0.1 -0.414 17.3-114.1 -84.0 164.2 7.3 81.3 3.8 57 57 A S > - 0 0 18 203,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.464 26.1-104.2 -92.4 172.7 4.3 81.7 1.6 58 58 A D H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.863 122.8 54.8 -61.7 -36.9 1.1 79.7 1.4 59 59 A K H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 108.7 46.7 -64.9 -39.8 2.4 78.0 -1.7 60 60 A Q H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.887 110.8 51.9 -69.4 -40.9 5.6 76.9 0.0 61 61 A W H X S+ 0 0 70 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.870 106.7 54.9 -63.2 -34.6 3.5 75.6 3.0 62 62 A A H >< S+ 0 0 52 -4,-2.4 3,-1.2 1,-0.2 4,-0.3 0.949 108.2 48.0 -59.7 -47.0 1.5 73.7 0.5 63 63 A G H >< S+ 0 0 1 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.861 101.6 65.6 -60.1 -30.4 4.7 72.1 -0.8 64 64 A M H >< S+ 0 0 1 -4,-1.8 3,-0.6 1,-0.3 -1,-0.2 0.778 99.5 52.0 -62.1 -25.1 5.6 71.4 2.9 65 65 A M T << S+ 0 0 102 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.498 105.1 57.7 -87.0 -9.0 2.6 69.0 3.0 66 66 A M T < + 0 0 121 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 -0.101 69.9 152.9-112.8 31.7 3.9 67.1 -0.1 67 67 A G < - 0 0 19 -3,-0.6 2,-0.7 1,-0.1 230,-0.1 -0.509 34.5-154.4 -65.4 125.9 7.3 66.1 1.1 68 68 A D - 0 0 17 -2,-0.3 8,-0.3 1,-0.1 9,-0.2 -0.935 13.4-167.5 -98.6 103.8 8.4 62.9 -0.7 69 69 A E + 0 0 31 -2,-0.7 -1,-0.1 227,-0.1 442,-0.1 0.260 30.2 142.3 -92.0 13.8 10.8 61.7 2.0 70 70 A A - 0 0 9 1,-0.1 4,-0.3 440,-0.1 3,-0.1 -0.200 54.9-134.3 -54.5 141.7 12.6 59.0 0.0 71 71 A F S S+ 0 0 5 1,-0.2 2,-0.3 435,-0.1 219,-0.3 0.756 93.4 22.9 -65.8 -31.9 16.3 58.6 0.6 72 72 A A S S+ 0 0 4 217,-0.1 -1,-0.2 1,-0.1 433,-0.1 -0.997 123.6 16.7-138.3 140.8 16.8 58.4 -3.2 73 73 A G S S+ 0 0 7 -2,-0.3 424,-2.4 1,-0.2 425,-0.5 0.671 71.2 174.0 77.8 20.4 14.8 59.7 -6.1 74 74 A S >> - 0 0 0 -4,-0.3 4,-1.8 216,-0.3 3,-0.6 -0.380 36.2-136.4 -59.4 129.8 12.5 62.1 -4.3 75 75 A E H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.817 106.0 62.1 -52.8 -34.6 10.3 64.2 -6.5 76 76 A N H 3> S+ 0 0 5 -8,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.880 102.0 49.1 -61.8 -39.1 11.3 67.2 -4.3 77 77 A F H <> S+ 0 0 18 -3,-0.6 4,-3.2 2,-0.2 5,-0.2 0.931 110.1 50.8 -66.8 -42.0 14.9 66.8 -5.3 78 78 A Y H X S+ 0 0 54 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.909 110.8 49.8 -62.4 -37.7 14.0 66.6 -9.0 79 79 A H H X S+ 0 0 37 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.879 114.2 44.3 -65.3 -41.1 12.0 69.8 -8.6 80 80 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.954 113.6 50.4 -64.3 -51.9 14.9 71.6 -6.8 81 81 A E H X S+ 0 0 47 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.933 113.0 45.5 -53.3 -50.4 17.5 70.4 -9.3 82 82 A R H X S+ 0 0 121 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.844 112.3 51.4 -63.6 -39.1 15.4 71.5 -12.3 83 83 A T H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.920 112.6 45.0 -64.0 -46.2 14.6 75.0 -10.7 84 84 A V H X>S+ 0 0 2 -4,-2.7 4,-3.0 2,-0.2 5,-1.1 0.942 112.8 51.0 -68.4 -44.8 18.3 75.7 -10.0 85 85 A Q H X5S+ 0 0 70 -4,-2.7 4,-1.0 -5,-0.3 -2,-0.2 0.940 116.6 42.3 -52.7 -47.8 19.4 74.5 -13.5 86 86 A E H <5S+ 0 0 104 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.946 122.6 35.6 -67.9 -50.9 16.7 76.7 -15.0 87 87 A L H <5S+ 0 0 11 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.848 131.2 25.8 -75.7 -37.2 17.2 79.8 -12.9 88 88 A F H <5S- 0 0 2 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.677 93.4-136.5-101.6 -26.4 21.1 79.8 -12.2 89 89 A G << + 0 0 36 -5,-1.1 2,-0.2 -4,-1.0 -4,-0.2 0.623 50.3 142.3 84.0 11.9 22.1 77.9 -15.4 90 90 A F - 0 0 5 -6,-0.4 -1,-0.3 1,-0.1 180,-0.1 -0.626 51.8-132.2 -84.7 152.0 24.7 75.5 -13.8 91 91 A K S S+ 0 0 101 -2,-0.2 2,-0.3 1,-0.1 179,-0.2 0.882 81.7 30.2 -64.2 -46.7 24.9 72.0 -15.0 92 92 A H E -B 269 0B 32 177,-2.1 177,-1.5 -8,-0.1 2,-0.4 -0.881 59.5-164.2-126.0 152.2 25.0 70.1 -11.7 93 93 A I E -B 268 0B 3 -2,-0.3 175,-0.2 175,-0.2 -12,-0.1 -0.996 5.6-171.0-136.0 138.9 23.6 70.6 -8.2 94 94 A V E -B 267 0B 0 173,-2.5 173,-2.6 -2,-0.4 196,-0.1 -0.970 24.0-137.9-126.8 113.8 24.4 69.0 -4.9 95 95 A P E -B 266 0B 0 0, 0.0 2,-0.3 0, 0.0 171,-0.3 -0.408 22.4-175.3 -69.8 152.7 22.0 69.8 -2.0 96 96 A T E -B 265 0B 0 169,-2.1 169,-1.4 157,-0.1 197,-0.2 -0.929 39.5-111.0-142.3 159.5 23.5 70.6 1.4 97 97 A H S S- 0 0 0 -2,-0.3 167,-1.7 167,-0.2 2,-0.3 0.873 93.8 -25.5 -68.6 -30.9 21.7 71.3 4.7 98 98 A Q S >> S- 0 0 0 165,-0.2 4,-1.3 166,-0.1 3,-0.6 -0.938 80.8 -71.6-162.0-174.3 22.9 74.9 4.5 99 99 A G H 3> S+ 0 0 1 165,-0.4 4,-2.1 -2,-0.3 3,-0.5 0.878 122.0 51.5 -54.5 -49.1 25.6 77.2 3.1 100 100 A R H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.768 104.2 61.3 -70.5 -20.3 28.6 76.3 5.2 101 101 A G H <> S+ 0 0 1 -3,-0.6 4,-1.7 2,-0.2 -1,-0.3 0.918 107.9 42.9 -60.5 -45.4 27.9 72.7 4.3 102 102 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.5 -2,-0.2 0.853 111.7 54.4 -70.9 -34.4 28.4 73.7 0.6 103 103 A E H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.877 105.5 53.8 -63.0 -39.4 31.5 75.8 1.6 104 104 A N H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.952 111.7 46.2 -59.9 -46.0 33.0 72.7 3.4 105 105 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.950 114.4 44.8 -63.4 -52.0 32.6 70.8 0.1 106 106 A L H X S+ 0 0 8 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.935 112.7 50.5 -59.6 -50.2 34.0 73.4 -2.2 107 107 A S H X S+ 0 0 2 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.871 114.1 45.6 -56.6 -40.4 37.1 74.2 0.0 108 108 A Q H < S+ 0 0 64 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.854 119.3 42.8 -70.3 -34.2 37.9 70.5 0.2 109 109 A L H < S+ 0 0 43 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.841 122.1 31.7 -77.3 -36.0 37.3 70.1 -3.6 110 110 A A H < S+ 0 0 20 -4,-2.9 2,-0.5 -5,-0.2 -3,-0.2 0.379 97.7 82.5-113.8 2.4 39.1 73.1 -5.0 111 111 A I < - 0 0 17 -4,-0.8 24,-0.1 -5,-0.2 6,-0.0 -0.943 49.2-162.7-121.3 126.6 42.0 74.1 -2.7 112 112 A K > - 0 0 145 -2,-0.5 3,-2.3 4,-0.1 64,-0.1 -0.880 47.2 -89.0 -97.9 138.9 45.6 72.7 -2.6 113 113 A P T 3 S+ 0 0 114 0, 0.0 22,-0.2 0, 0.0 21,-0.2 -0.222 114.7 20.3 -47.4 125.5 47.6 73.5 0.6 114 114 A G T 3 S+ 0 0 50 20,-3.2 21,-0.1 1,-0.3 20,-0.1 0.244 94.0 126.9 95.4 -13.6 49.4 76.8 0.2 115 115 A Q < - 0 0 21 -3,-2.3 21,-2.4 19,-0.1 2,-0.3 -0.313 58.0-116.4 -70.9 160.3 47.2 78.2 -2.7 116 116 A Y E -cd 136 175B 51 58,-3.0 60,-1.9 19,-0.2 61,-0.7 -0.778 18.3-164.7 -99.7 141.3 45.5 81.6 -2.6 117 117 A V E -cd 137 177B 0 19,-2.3 21,-2.2 -2,-0.3 2,-0.4 -1.000 14.4-160.6-119.9 125.0 41.8 82.2 -2.7 118 118 A A E +cd 138 178B 0 59,-1.5 61,-2.9 -2,-0.4 2,-0.3 -0.912 15.9 168.8-115.0 138.0 40.9 85.8 -3.5 119 119 A G E -cd 139 179B 0 19,-2.2 21,-3.4 -2,-0.4 2,-1.6 -0.903 48.3-100.0-143.7 161.1 37.6 87.4 -2.7 120 120 A N S S- 0 0 2 59,-1.2 61,-0.1 -2,-0.3 19,-0.1 -0.636 99.8 -38.1 -84.4 80.1 35.6 90.6 -2.5 121 121 A M S S- 0 0 15 -2,-1.6 -1,-0.2 17,-0.1 60,-0.1 0.251 84.4 -81.6 73.7 155.2 36.0 90.9 1.3 122 122 A Y - 0 0 38 -3,-0.1 64,-0.3 62,-0.1 2,-0.3 -0.430 28.3-155.3 -84.4 153.8 35.9 87.9 3.7 123 123 A F > - 0 0 14 -2,-0.1 4,-3.3 1,-0.1 5,-0.3 -0.974 26.0-121.4-121.0 153.2 33.0 86.1 5.3 124 124 A T H > S+ 0 0 7 -2,-0.3 4,-2.1 1,-0.2 322,-0.1 0.917 106.8 31.1 -59.4 -57.0 33.5 84.2 8.6 125 125 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 120.9 52.6 -69.6 -43.6 32.5 80.6 7.7 126 126 A T H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.961 112.3 44.7 -55.0 -54.3 33.8 80.9 4.1 127 127 A R H X S+ 0 0 46 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.910 111.3 53.9 -58.8 -44.2 37.2 82.2 5.2 128 128 A Y H X S+ 0 0 47 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.895 109.1 48.0 -59.7 -40.5 37.4 79.5 7.9 129 129 A H H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.849 111.4 50.8 -71.4 -31.7 36.8 76.7 5.4 130 130 A Q H <>S+ 0 0 5 -4,-2.0 5,-2.7 -5,-0.2 -2,-0.2 0.966 116.2 40.8 -62.6 -53.4 39.4 78.2 3.0 131 131 A E H ><5S+ 0 0 43 -4,-2.7 3,-1.4 3,-0.2 -2,-0.2 0.828 109.3 58.1 -66.3 -36.6 42.0 78.4 5.8 132 132 A K H 3<5S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.878 108.6 48.9 -61.1 -33.9 41.1 75.0 7.4 133 133 A N T 3<5S- 0 0 42 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.348 128.8 -99.5 -90.7 6.0 41.9 73.5 4.0 134 134 A G T < 5S+ 0 0 30 -3,-1.4 -20,-3.2 1,-0.3 -3,-0.2 0.590 74.6 138.0 93.8 13.6 45.2 75.3 3.7 135 135 A A < - 0 0 7 -5,-2.7 2,-0.5 -22,-0.2 -1,-0.3 -0.548 48.5-132.3 -85.7 155.9 44.4 78.3 1.5 136 136 A V E -c 116 0B 69 -21,-2.4 -19,-2.3 -2,-0.2 2,-0.3 -0.953 23.3-133.7-104.0 126.0 45.6 81.9 2.1 137 137 A F E -c 117 0B 25 -2,-0.5 2,-0.4 -21,-0.2 -19,-0.2 -0.622 20.3-171.3 -81.4 134.0 42.8 84.5 1.8 138 138 A V E -c 118 0B 39 -21,-2.2 -19,-2.2 -2,-0.3 2,-0.6 -0.988 18.2-138.2-124.6 124.1 43.5 87.7 -0.2 139 139 A D E +c 119 0B 48 -2,-0.4 -19,-0.2 -21,-0.2 -21,-0.1 -0.677 27.6 168.6 -82.0 118.5 41.0 90.6 -0.2 140 140 A I + 0 0 2 -21,-3.4 19,-3.0 -2,-0.6 23,-0.2 0.209 34.4 119.6-116.3 17.9 40.6 92.0 -3.7 141 141 A V B S-H 158 0C 0 -22,-0.6 17,-0.2 17,-0.3 16,-0.1 -0.387 77.2 -88.3 -69.6 158.2 37.5 94.3 -3.1 142 142 A R > - 0 0 59 15,-1.7 3,-1.3 13,-0.2 4,-0.4 -0.385 33.2-115.8 -67.1 151.9 38.1 98.0 -3.8 143 143 A D G > S+ 0 0 101 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.855 112.2 67.8 -53.1 -38.9 39.4 100.1 -0.9 144 144 A E G > S+ 0 0 81 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.809 85.9 67.3 -53.5 -35.4 36.2 102.1 -1.0 145 145 A A G < S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.761 96.4 57.5 -55.5 -28.3 34.2 99.1 0.2 146 146 A H G < S+ 0 0 42 -3,-1.9 2,-0.8 -4,-0.4 -1,-0.3 0.458 86.0 88.1 -87.4 -6.2 36.0 99.4 3.6 147 147 A D X - 0 0 69 -3,-2.1 3,-0.5 -4,-0.3 191,-0.2 -0.868 63.2-162.4 -99.0 112.3 34.9 102.9 4.2 148 148 A A T 3 S+ 0 0 7 -2,-0.8 190,-3.1 1,-0.2 -1,-0.2 0.820 85.0 42.4 -58.6 -43.8 31.6 102.8 6.0 149 149 A G T 3 S+ 0 0 29 188,-0.2 2,-0.6 2,-0.1 -1,-0.2 0.664 84.7 108.5 -84.3 -15.5 30.4 106.4 5.3 150 150 A L < - 0 0 65 -3,-0.5 2,-1.4 -6,-0.2 -3,-0.1 -0.486 59.8-151.5 -71.0 109.5 31.5 106.5 1.7 151 151 A N + 0 0 96 -2,-0.6 2,-0.4 186,-0.0 -1,-0.1 -0.620 37.8 139.4 -87.3 86.9 28.3 106.4 -0.4 152 152 A I > - 0 0 47 -2,-1.4 3,-0.5 186,-0.3 2,-0.1 -0.963 50.6-107.4-128.3 152.2 29.1 104.8 -3.7 153 153 A A T 3 S+ 0 0 44 -2,-0.4 40,-0.1 1,-0.2 37,-0.0 -0.359 95.2 14.0 -72.1 147.3 27.3 102.4 -5.9 154 154 A F T > + 0 0 19 1,-0.1 3,-1.8 38,-0.1 39,-0.3 0.885 66.8 168.9 54.6 45.6 28.3 98.7 -6.3 155 155 A K T < + 0 0 0 -3,-0.5 -13,-0.2 1,-0.3 -10,-0.2 0.587 68.0 71.8 -60.0 -14.7 30.7 98.9 -3.4 156 156 A G T 3 S+ 0 0 0 35,-2.3 -1,-0.3 -15,-0.1 36,-0.2 0.628 72.2 123.1 -76.5 -16.3 30.9 95.1 -3.7 157 157 A D < - 0 0 20 -3,-1.8 -15,-1.7 34,-0.5 2,-0.3 -0.072 63.9-118.3 -55.1 142.4 33.0 95.2 -6.9 158 158 A I B -H 141 0C 3 -17,-0.2 2,-1.0 1,-0.1 -17,-0.3 -0.596 25.0-119.7 -74.3 138.2 36.3 93.5 -7.2 159 159 A D > - 0 0 31 -19,-3.0 4,-2.2 -2,-0.3 5,-0.1 -0.740 21.3-160.8 -76.3 106.9 39.3 95.8 -7.9 160 160 A L H > S+ 0 0 50 -2,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.809 90.3 57.4 -59.7 -32.1 40.6 94.4 -11.2 161 161 A K H > S+ 0 0 167 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 107.4 47.4 -64.7 -44.8 43.9 96.1 -10.6 162 162 A K H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.875 111.9 50.6 -63.6 -38.4 44.3 94.2 -7.3 163 163 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -23,-0.2 -2,-0.2 0.938 110.0 49.9 -63.1 -46.2 43.3 91.0 -9.1 164 164 A Q H X S+ 0 0 64 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.914 109.1 52.6 -56.9 -46.1 45.9 91.6 -11.8 165 165 A K H X S+ 0 0 123 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.916 107.9 50.2 -55.1 -50.3 48.5 92.2 -9.1 166 166 A L H X>S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 5,-0.6 0.909 111.2 49.1 -56.4 -45.7 47.8 88.9 -7.4 167 167 A I H X5S+ 0 0 10 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.909 115.1 45.4 -59.6 -42.9 48.1 87.1 -10.8 168 168 A D H <5S+ 0 0 116 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.910 118.1 40.5 -66.0 -45.2 51.4 88.9 -11.4 169 169 A E H <5S+ 0 0 122 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.750 129.9 22.8 -81.9 -26.4 53.0 88.3 -8.0 170 170 A K H <5S- 0 0 77 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.738 102.4-115.9-112.4 -30.3 51.8 84.7 -7.3 171 171 A G ><< - 0 0 18 -4,-1.3 3,-1.7 -5,-0.6 4,-0.3 0.257 24.8 -98.3 93.6 137.1 51.1 83.1 -10.7 172 172 A A G > S+ 0 0 21 1,-0.3 3,-1.8 -5,-0.2 -1,-0.1 0.841 118.5 62.5 -56.7 -38.5 47.8 81.8 -11.9 173 173 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.693 99.8 55.0 -63.8 -20.8 48.5 78.2 -11.0 174 174 A N G < S+ 0 0 69 -3,-1.7 -58,-3.0 -7,-0.1 2,-0.8 0.429 88.0 89.1 -93.2 -1.5 48.8 79.1 -7.3 175 175 A I E < -d 116 0B 7 -3,-1.8 35,-0.3 -4,-0.3 -58,-0.2 -0.873 59.4-166.5 -96.6 107.3 45.3 80.7 -7.2 176 176 A A E - 0 0 14 -60,-1.9 34,-0.5 -2,-0.8 2,-0.3 0.943 62.8 -49.7 -55.6 -52.7 42.8 78.1 -6.3 177 177 A Y E -d 117 0B 2 -61,-0.7 -59,-1.5 32,-0.1 2,-0.5 -0.961 50.8 -98.0-170.3 168.2 39.8 80.3 -7.4 178 178 A I E -de 118 211B 0 32,-2.4 34,-2.4 -2,-0.3 2,-0.8 -0.915 30.4-148.6 -96.1 127.8 38.2 83.7 -7.1 179 179 A C E -de 119 212B 13 -61,-2.9 -59,-1.2 -2,-0.5 2,-0.7 -0.878 16.7-173.6 -97.9 105.7 35.4 83.8 -4.5 180 180 A L E - e 0 213B 0 32,-1.7 34,-2.1 -2,-0.8 2,-0.4 -0.895 6.7-159.3-107.4 109.3 32.9 86.4 -5.7 181 181 A A E - e 0 214B 13 -2,-0.7 2,-0.4 32,-0.2 34,-0.2 -0.706 9.3-135.8 -91.9 136.5 30.1 87.1 -3.3 182 182 A V S S+ 0 0 1 32,-2.4 35,-1.5 -2,-0.4 2,-0.1 -0.984 90.6 9.0-132.4 119.7 26.7 88.7 -4.2 183 183 A T S S- 0 0 2 -2,-0.4 2,-0.9 7,-0.4 34,-0.3 0.774 93.3-122.3 -65.6-175.6 25.8 90.8 -2.3 184 184 A V B > > -I 190 0D 4 6,-2.5 5,-1.9 1,-0.2 6,-1.7 -0.843 24.1-164.9 -95.7 107.6 28.8 91.4 -0.1 185 185 A N G >>5S+ 0 0 5 -2,-0.9 3,-1.9 4,-0.2 4,-0.7 0.945 81.5 44.4 -58.6 -58.4 27.6 90.8 3.5 186 186 A L G 345S+ 0 0 14 -64,-0.3 -1,-0.2 1,-0.3 -65,-0.1 0.629 104.6 63.0 -70.6 -12.7 30.3 92.4 5.6 187 187 A A G <45S- 0 0 0 -3,-0.5 -1,-0.3 3,-0.1 -2,-0.2 0.467 135.4 -83.5 -84.0 -5.6 30.6 95.5 3.5 188 188 A G T <45S- 0 0 1 -3,-1.9 153,-0.6 -4,-0.3 156,-0.3 0.596 78.7 -57.1 112.3 20.1 27.0 96.2 4.5 189 189 A G S < - 0 0 9 -2,-0.4 4,-1.9 -39,-0.3 5,-0.1 -0.431 13.5-124.0 -76.5 154.7 27.7 95.2 -10.9 194 194 A M H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.907 113.6 58.8 -58.1 -45.8 27.2 93.0 -14.0 195 195 A A H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 106.4 47.6 -49.5 -47.0 30.1 94.9 -15.7 196 196 A N H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 109.8 52.4 -63.0 -44.6 32.4 93.9 -12.8 197 197 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.906 111.7 47.2 -56.6 -43.3 31.2 90.2 -13.0 198 198 A R H X S+ 0 0 131 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.939 112.9 47.3 -61.8 -52.7 32.0 90.2 -16.8 199 199 A A H X S+ 0 0 40 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.890 111.8 50.7 -60.8 -40.2 35.4 91.8 -16.4 200 200 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.935 111.5 48.8 -61.3 -46.3 36.3 89.4 -13.6 201 201 A R H X S+ 0 0 47 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.950 110.6 51.0 -54.8 -52.8 35.2 86.5 -15.8 202 202 A E H X S+ 0 0 124 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.859 113.9 42.3 -55.8 -43.4 37.3 87.7 -18.8 203 203 A L H X S+ 0 0 33 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.939 115.5 47.2 -74.1 -47.2 40.5 88.1 -16.8 204 204 A T H ><>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 3,-0.7 0.904 110.8 53.6 -60.9 -42.8 40.3 84.9 -14.8 205 205 A E H ><5S+ 0 0 57 -4,-2.7 3,-0.8 -5,-0.3 -1,-0.2 0.843 102.4 57.0 -57.5 -39.5 39.5 82.9 -18.0 206 206 A A H 3<5S+ 0 0 84 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.753 114.8 39.0 -67.5 -22.7 42.5 84.2 -19.9 207 207 A H T <<5S- 0 0 78 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.382 116.0-113.1-104.5 -0.6 44.7 82.8 -17.1 208 208 A G T < 5 + 0 0 68 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.731 64.4 150.6 74.4 24.4 42.7 79.6 -16.5 209 209 A I < - 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