==== 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 28-MAR-03 1OWP . COMPND 2 MOLECULE: DEOXYRIBODIPYRIMIDINE PHOTOLYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR H.KOMORI,S.ADACHI,K.MIKI,A.EKER,R.KORT . 474 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 4 1 2 2 2 1 2 1 0 3 1 0 1 0 1 0 0 1 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 A 0 0 92 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.5 19.0 -8.6 62.5 2 3 A A + 0 0 45 90,-0.1 27,-0.3 91,-0.0 2,-0.2 -0.702 360.0 173.9-120.5 76.6 21.5 -7.7 59.8 3 4 A P - 0 0 0 0, 0.0 90,-2.2 0, 0.0 91,-0.8 -0.546 21.2-144.3 -85.4 150.3 23.2 -4.4 60.9 4 5 A I E -ab 30 94A 0 25,-2.3 27,-2.5 -2,-0.2 2,-0.4 -0.939 10.3-146.7-113.2 134.8 26.1 -2.8 59.0 5 6 A L E -ab 31 95A 0 89,-2.6 91,-3.5 -2,-0.4 2,-0.6 -0.852 5.0-158.3-101.3 133.5 28.8 -1.0 61.0 6 7 A F E -ab 32 96A 0 25,-2.4 27,-1.7 -2,-0.4 2,-0.7 -0.967 11.1-148.8-112.5 120.8 30.5 2.1 59.5 7 8 A W E -ab 33 97A 5 89,-3.7 91,-0.5 -2,-0.6 2,-0.3 -0.790 10.3-157.3 -95.5 111.0 33.8 2.7 61.0 8 9 A H E +a 34 0A 0 25,-2.8 27,-0.5 -2,-0.7 4,-0.1 -0.629 31.8 141.3 -85.6 142.1 34.8 6.4 61.1 9 10 A R S S+ 0 0 22 -2,-0.3 3,-0.2 25,-0.1 -1,-0.1 0.385 84.0 1.0-140.3 -66.9 38.5 7.6 61.3 10 11 A R S S+ 0 0 54 88,-0.2 -2,-0.1 1,-0.1 240,-0.0 -0.009 119.0 76.0-119.1 26.4 39.3 10.7 59.3 11 12 A D + 0 0 4 239,-0.1 2,-2.4 87,-0.0 238,-0.3 -0.389 54.0 168.3-135.1 55.4 35.7 11.2 58.0 12 13 A L + 0 0 1 236,-2.5 2,-0.3 -3,-0.2 197,-0.2 -0.379 47.8 81.8 -74.9 67.7 33.9 12.7 60.9 13 14 A R - 0 0 3 -2,-2.4 238,-0.1 195,-0.1 237,-0.1 -0.969 66.3-141.5-160.5 160.9 30.7 13.8 59.1 14 15 A L S S+ 0 0 3 -2,-0.3 3,-0.4 236,-0.1 2,-0.1 0.669 79.8 80.8-101.4 -23.4 27.5 12.2 57.9 15 16 A S S S+ 0 0 6 1,-0.2 150,-0.1 151,-0.2 151,-0.1 -0.435 99.1 2.1 -85.3 158.3 27.3 14.2 54.6 16 17 A D S S+ 0 0 2 148,-0.9 2,-0.5 1,-0.2 238,-0.2 0.834 83.4 151.2 31.5 63.1 29.2 13.5 51.4 17 18 A N > - 0 0 1 148,-0.4 4,-2.9 -3,-0.4 5,-0.3 -0.943 35.5-158.3-125.2 106.5 30.8 10.3 52.7 18 19 A I H > S+ 0 0 43 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.903 91.7 39.9 -48.9 -57.6 31.6 7.6 50.1 19 20 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 117.1 49.8 -64.0 -38.7 31.8 4.6 52.4 20 21 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.892 111.1 48.6 -68.2 -40.2 28.8 5.7 54.5 21 22 A A H X S+ 0 0 23 -4,-2.9 4,-1.0 2,-0.2 -1,-0.2 0.876 111.3 50.4 -67.3 -38.0 26.6 6.3 51.5 22 23 A A H < S+ 0 0 32 -4,-2.0 3,-0.4 -5,-0.3 4,-0.4 0.906 110.2 51.0 -65.7 -40.0 27.5 2.9 50.1 23 24 A A H >X S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-1.2 0.893 106.6 53.8 -64.0 -41.1 26.7 1.3 53.4 24 25 A R H 3< S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.731 100.5 60.3 -67.3 -23.9 23.2 3.0 53.5 25 26 A A T 3< S+ 0 0 81 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.613 109.8 44.5 -78.4 -10.3 22.3 1.7 50.1 26 27 A Q T <4 S+ 0 0 114 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.2 0.656 127.7 0.6-103.4 -23.3 22.8 -1.8 51.6 27 28 A S < - 0 0 21 -4,-1.2 -1,-0.3 1,-0.1 3,-0.0 -0.943 41.8-147.7-168.3 146.3 20.9 -1.3 54.9 28 29 A A S S+ 0 0 31 -2,-0.3 143,-2.3 1,-0.2 2,-2.3 0.681 90.7 81.8 -85.5 -23.3 19.0 1.2 57.0 29 30 A Q + 0 0 22 -27,-0.3 -25,-2.3 141,-0.2 2,-0.7 -0.481 65.9 158.9 -82.8 67.1 20.3 -0.4 60.2 30 31 A L E -a 4 0A 0 -2,-2.3 2,-0.5 -27,-0.2 41,-0.3 -0.854 19.5-173.5 -99.3 114.6 23.5 1.6 59.8 31 32 A I E -a 5 0A 0 -27,-2.5 -25,-2.4 -2,-0.7 41,-0.2 -0.936 12.1-146.3-113.6 122.3 25.4 2.1 63.1 32 33 A G E -ac 6 72A 0 39,-1.6 41,-2.8 -2,-0.5 2,-0.3 -0.389 17.6-172.7 -81.0 162.3 28.5 4.3 63.1 33 34 A L E -ac 7 73A 0 -27,-1.7 -25,-2.8 39,-0.2 2,-0.4 -0.992 15.0-166.8-155.2 150.0 31.5 3.7 65.3 34 35 A F E -ac 8 74A 18 39,-2.1 41,-2.4 -2,-0.3 2,-0.6 -0.996 12.5-151.1-138.6 134.8 34.7 5.3 66.4 35 36 A C E - c 0 75A 10 -27,-0.5 2,-1.3 -2,-0.4 41,-0.2 -0.934 11.3-142.2-114.0 119.9 37.6 3.6 68.1 36 37 A L E - c 0 76A 5 39,-4.0 41,-1.8 -2,-0.6 3,-0.0 -0.662 27.1-157.7 -77.5 95.9 39.9 5.5 70.4 37 38 A D >> - 0 0 6 -2,-1.3 3,-2.5 39,-0.2 4,-2.5 -0.706 12.5-151.7 -85.0 110.7 43.1 3.7 69.4 38 39 A P H 3> S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.763 95.3 62.1 -50.6 -32.6 45.9 4.0 72.1 39 40 A Q H 34 S+ 0 0 124 2,-0.2 39,-0.0 1,-0.2 -2,-0.0 0.730 114.9 35.2 -68.4 -19.1 48.6 3.7 69.5 40 41 A I H X4 S+ 0 0 51 -3,-2.5 3,-0.8 2,-0.1 -1,-0.2 0.862 121.5 43.5 -96.3 -52.3 47.3 7.0 68.1 41 42 A L H 3< S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 5,-0.1 0.868 117.1 44.4 -63.5 -39.8 46.1 8.8 71.2 42 43 A Q T 3< S+ 0 0 163 -4,-2.2 -1,-0.2 -5,-0.2 -3,-0.1 0.469 84.6 124.1 -87.1 -0.8 49.2 8.0 73.4 43 44 A S X - 0 0 52 -3,-0.8 3,-1.5 -5,-0.2 -3,-0.1 -0.268 67.2-132.5 -60.3 142.5 51.7 8.8 70.7 44 45 A A T 3 S+ 0 0 76 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.668 107.4 63.4 -68.5 -13.8 54.3 11.4 71.5 45 46 A D T 3 S+ 0 0 56 -5,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.181 76.1 114.6 -96.1 16.4 53.5 12.9 68.1 46 47 A M < - 0 0 25 -3,-1.5 329,-0.1 -5,-0.1 3,-0.0 -0.752 59.8-140.2 -89.9 130.9 49.9 13.7 69.1 47 48 A A >> - 0 0 0 -2,-0.4 4,-1.9 327,-0.2 3,-0.5 -0.759 7.1-141.1 -93.6 133.2 49.0 17.4 69.2 48 49 A P H 3> S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.874 105.2 55.0 -57.0 -37.0 46.7 18.7 71.9 49 50 A A H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.841 106.9 51.3 -65.4 -32.5 45.0 21.0 69.4 50 51 A R H <> S+ 0 0 14 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.871 109.2 48.6 -73.6 -38.0 44.3 18.0 67.2 51 52 A V H X S+ 0 0 1 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.889 111.7 51.1 -68.9 -37.4 42.7 16.0 70.0 52 53 A A H X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.931 114.0 42.9 -64.2 -46.2 40.5 19.0 71.0 53 54 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.952 115.6 50.1 -63.8 -50.1 39.3 19.4 67.4 54 55 A L H X S+ 0 0 15 -4,-2.8 4,-2.2 1,-0.2 3,-0.2 0.942 110.0 49.0 -51.2 -56.5 38.8 15.7 67.0 55 56 A Q H X S+ 0 0 24 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.865 111.0 51.9 -54.9 -38.5 36.8 15.4 70.2 56 57 A G H X S+ 0 0 13 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.878 107.6 50.5 -68.0 -38.4 34.7 18.3 69.1 57 58 A C H X S+ 0 0 1 -4,-2.3 4,-2.1 -3,-0.2 152,-0.3 0.873 110.3 51.7 -66.0 -36.7 33.9 16.7 65.7 58 59 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.861 102.1 58.6 -67.6 -39.3 32.9 13.5 67.5 59 60 A Q H X S+ 0 0 103 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.929 111.5 42.5 -56.8 -44.6 30.5 15.3 69.8 60 61 A E H X S+ 0 0 34 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.908 109.7 56.3 -69.5 -40.9 28.7 16.6 66.8 61 62 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.842 102.3 57.2 -60.3 -33.4 28.8 13.2 65.0 62 63 A Q H X S+ 0 0 63 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.935 110.1 45.1 -61.2 -45.1 27.1 11.6 68.0 63 64 A Q H X S+ 0 0 115 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.909 108.7 55.3 -63.8 -46.2 24.2 14.0 67.5 64 65 A R H X S+ 0 0 59 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.896 109.8 46.4 -56.1 -43.7 24.1 13.6 63.8 65 66 A Y H X>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 4,-1.5 0.899 111.4 51.9 -66.7 -39.5 23.6 9.8 64.1 66 67 A Q H <5S+ 0 0 130 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.934 112.8 45.4 -61.6 -45.7 21.0 10.3 66.9 67 68 A Q H <5S+ 0 0 135 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 109.4 56.1 -66.2 -35.2 19.1 12.7 64.6 68 69 A A H <5S- 0 0 16 -4,-2.1 102,-2.6 -5,-0.2 101,-0.3 0.763 126.0 -94.0 -70.1 -26.7 19.5 10.3 61.6 69 70 A G T <5S+ 0 0 29 -4,-1.5 103,-0.6 -3,-0.3 -3,-0.2 0.339 96.4 44.3 132.0 -10.1 17.9 7.4 63.5 70 71 A S S > - 0 0 48 -2,-0.3 4,-2.9 -41,-0.1 3,-1.1 -0.619 52.0-148.0 -78.6 122.3 43.1 -2.1 69.8 79 80 A P H 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.868 92.1 55.5 -56.3 -47.5 41.1 -2.0 66.5 80 81 A Q H 34 S+ 0 0 65 1,-0.2 -2,-0.0 2,-0.2 29,-0.0 0.585 119.5 35.6 -69.5 -5.7 41.9 -5.4 65.0 81 82 A H H <> S+ 0 0 108 -3,-1.1 4,-1.7 3,-0.1 -1,-0.2 0.778 121.5 41.1-106.2 -55.1 40.7 -7.0 68.2 82 83 A L H X S+ 0 0 28 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.846 112.8 51.5 -66.3 -38.1 37.7 -4.8 69.3 83 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.932 111.5 44.2 -69.9 -45.5 36.2 -4.2 65.9 84 85 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.926 115.5 50.8 -64.4 -38.9 35.9 -7.8 64.7 85 86 A Q H X S+ 0 0 86 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.906 111.7 46.7 -61.3 -44.6 34.6 -8.7 68.2 86 87 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.932 112.9 48.9 -63.9 -47.3 32.0 -6.0 68.1 87 88 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-0.2 0.904 113.6 47.8 -60.3 -41.1 30.9 -7.0 64.6 88 89 A Q H ><5S+ 0 0 111 -4,-2.6 3,-1.8 2,-0.2 -2,-0.2 0.948 109.5 50.9 -65.3 -50.0 30.7 -10.6 65.7 89 90 A Q H 3<5S+ 0 0 104 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.747 116.7 43.3 -58.5 -22.9 28.7 -9.8 68.8 90 91 A L T 3<5S- 0 0 7 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.392 106.8-128.8-102.2 -0.4 26.4 -7.8 66.6 91 92 A Q T < 5 - 0 0 152 -3,-1.8 -3,-0.2 -4,-0.2 2,-0.2 0.958 37.9-157.4 46.8 55.1 26.3 -10.5 63.8 92 93 A A < - 0 0 6 -5,-2.9 30,-0.2 1,-0.2 -88,-0.2 -0.451 24.7-148.0 -70.3 131.0 27.2 -7.7 61.5 93 94 A E S S- 0 0 64 -90,-2.2 29,-0.6 1,-0.3 2,-0.3 0.737 80.2 -25.8 -66.7 -22.9 26.3 -8.1 57.8 94 95 A A E -bd 4 122A 4 -91,-0.8 -89,-2.6 27,-0.1 2,-0.5 -0.934 52.0-127.0 178.0 159.2 29.4 -6.0 57.1 95 96 A V E -bd 5 123A 0 27,-2.5 29,-2.0 -2,-0.3 2,-0.3 -0.990 29.3-164.8-122.7 121.2 31.8 -3.3 58.4 96 97 A Y E +bd 6 124A 23 -91,-3.5 -89,-3.7 -2,-0.5 2,-0.3 -0.764 16.5 152.9-106.7 153.3 32.4 -0.3 56.1 97 98 A W E -bd 7 125A 0 27,-1.8 29,-1.9 -2,-0.3 2,-0.4 -0.963 41.5-104.0-169.5 157.6 35.2 2.3 56.2 98 99 A N E - d 0 126A 11 -91,-0.5 29,-0.2 -2,-0.3 -88,-0.2 -0.792 46.4-103.7 -93.9 134.3 37.1 4.7 54.0 99 100 A Q - 0 0 32 27,-2.7 30,-0.4 -2,-0.4 29,-0.3 -0.092 27.8-138.7 -57.1 149.3 40.7 3.8 53.0 100 101 A D - 0 0 8 2,-0.1 -1,-0.1 5,-0.1 27,-0.0 -0.598 8.6-156.5-103.5 163.9 43.8 5.4 54.5 101 102 A I + 0 0 1 -2,-0.2 -1,-0.1 33,-0.0 -2,-0.0 0.477 66.9 95.6-115.2 -12.6 46.9 6.5 52.7 102 103 A E S > S- 0 0 22 1,-0.1 4,-2.6 198,-0.0 5,-0.3 -0.558 79.8-122.1 -85.6 145.3 49.2 6.3 55.7 103 104 A P H > S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.892 110.2 46.0 -49.3 -50.7 51.4 3.2 56.6 104 105 A Y H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.948 113.8 46.7 -62.4 -50.9 49.9 2.7 60.0 105 106 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 114.3 48.4 -59.7 -39.4 46.2 3.1 58.9 106 107 A R H X S+ 0 0 80 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.863 112.1 47.0 -70.9 -37.1 46.8 0.7 56.0 107 108 A D H X S+ 0 0 115 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.936 114.2 48.2 -69.2 -44.7 48.5 -2.0 58.0 108 109 A R H X S+ 0 0 20 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.929 111.1 52.2 -58.4 -46.5 45.9 -1.8 60.7 109 110 A D H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.903 105.9 51.2 -58.9 -46.8 43.2 -2.0 58.0 110 111 A G H X S+ 0 0 40 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.894 112.5 49.1 -58.7 -37.7 44.5 -5.1 56.3 111 112 A Q H X S+ 0 0 103 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.861 110.8 48.1 -70.6 -37.8 44.6 -6.7 59.8 112 113 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.928 112.2 50.0 -68.4 -43.0 41.1 -5.7 60.6 113 114 A A H X S+ 0 0 20 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.919 110.4 49.2 -60.3 -45.3 39.8 -7.0 57.3 114 115 A A H X S+ 0 0 53 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.906 111.0 50.2 -61.8 -41.9 41.6 -10.3 57.7 115 116 A A H X S+ 0 0 31 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.876 111.8 48.8 -64.2 -36.1 40.1 -10.7 61.2 116 117 A L H <>S+ 0 0 0 -4,-2.2 5,-3.7 2,-0.2 -2,-0.2 0.900 109.8 50.7 -70.1 -39.7 36.7 -9.9 59.7 117 118 A K H ><5S+ 0 0 167 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.913 108.1 53.1 -62.8 -43.8 37.1 -12.4 56.9 118 119 A T H 3<5S+ 0 0 126 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.900 109.2 48.6 -57.3 -43.2 38.1 -15.1 59.4 119 120 A A T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.446 121.7-113.3 -77.3 -0.1 34.9 -14.4 61.3 120 121 A G T < 5S+ 0 0 68 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.787 72.2 135.8 74.1 27.6 33.0 -14.6 58.1 121 122 A I < - 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0 0 45 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.790 41.2-165.8-120.3 162.5 44.9 16.9 77.4 198 199 A D + 0 0 132 -2,-0.3 2,-0.3 -5,-0.0 -146,-0.1 -0.983 11.5 167.3-147.7 136.2 44.3 20.6 77.6 199 200 A W + 0 0 48 -2,-0.3 -7,-0.1 -150,-0.1 -2,-0.0 -0.967 14.3 157.1-151.2 133.0 44.0 23.2 74.8 200 201 A D + 0 0 162 -2,-0.3 -1,-0.1 142,-0.1 142,-0.0 0.155 50.6 100.6-141.5 16.2 42.8 26.8 75.0 201 202 A G S S- 0 0 27 1,-0.2 2,-0.0 140,-0.1 141,-0.0 0.427 77.8-129.7 -87.6 1.3 44.3 28.2 71.8 202 203 A G - 0 0 33 142,-0.0 -1,-0.2 2,-0.0 -2,-0.1 -0.270 21.1 -94.1 82.6-173.0 41.3 28.2 69.6 203 204 A F - 0 0 49 1,-0.1 3,-0.2 -2,-0.0 141,-0.1 -0.963 16.9-119.4-145.2 158.4 41.0 26.8 66.1 204 205 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.778 110.7 6.8 -68.4 -25.2 41.2 28.0 62.4 205 206 A V S S- 0 0 4 37,-0.1 3,-0.1 -3,-0.0 7,-0.1 -0.943 98.5 -97.2-155.0 133.3 37.6 26.9 62.1 206 207 A E - 0 0 115 -2,-0.3 5,-0.0 -3,-0.2 -153,-0.0 -0.168 51.9 -90.7 -55.9 148.2 35.4 25.6 65.0 207 208 A P S S+ 0 0 27 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.185 80.9 54.5 -58.9 148.2 35.1 21.8 65.4 208 209 A G S > S- 0 0 0 -155,-0.2 4,-1.9 2,-0.1 5,-0.2 0.004 84.9 -88.4 107.3 148.8 32.4 19.9 63.6 209 210 A E H > S+ 0 0 6 -152,-0.3 4,-2.5 -197,-0.2 5,-0.2 0.918 120.9 54.0 -54.6 -50.1 30.8 19.2 60.3 210 211 A T H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 109.7 45.0 -55.3 -49.1 28.4 22.1 60.6 211 212 A A H > S+ 0 0 27 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.853 112.7 53.3 -65.5 -34.6 31.1 24.7 61.2 212 213 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.918 108.8 47.5 -66.7 -44.5 33.2 23.3 58.4 213 214 A I H X S+ 0 0 41 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.854 111.4 52.1 -65.3 -35.4 30.3 23.5 55.9 214 215 A A H X S+ 0 0 32 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.883 110.6 47.6 -68.4 -39.9 29.6 27.1 56.9 215 216 A R H X S+ 0 0 74 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.912 109.6 52.3 -68.0 -43.5 33.3 28.1 56.5 216 217 A L H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.955 113.6 44.9 -56.4 -48.7 33.5 26.5 53.1 217 218 A Q H X S+ 0 0 108 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.883 113.7 48.5 -63.6 -40.9 30.4 28.4 52.0 218 219 A E H X>S+ 0 0 126 -4,-2.3 4,-0.7 2,-0.2 5,-0.5 0.863 113.5 47.9 -67.9 -37.0 31.6 31.7 53.5 219 220 A F H ><>S+ 0 0 8 -4,-2.7 5,-2.9 1,-0.2 3,-0.7 0.924 113.6 45.4 -69.5 -46.6 35.0 31.4 51.9 220 221 A C H 3<5S+ 0 0 9 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.670 107.4 60.3 -72.7 -17.2 33.6 30.5 48.4 221 222 A D H 3<5S- 0 0 110 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.697 132.0 -21.2 -82.8 -19.4 31.1 33.3 48.6 222 223 A R T X<5S+ 0 0 196 -3,-0.7 3,-2.3 -4,-0.7 4,-0.4 0.343 123.9 54.3-147.7 -75.9 33.7 36.0 49.0 223 224 A A G > S+ 0 0 101 -3,-1.8 4,-1.8 -4,-0.4 -1,-0.3 0.263 78.4 118.3-109.8 9.5 40.9 37.2 46.2 227 228 A Y H <> + 0 0 15 -3,-1.6 4,-2.9 -4,-0.3 5,-0.2 0.865 61.0 83.0 -43.2 -45.6 42.8 34.0 47.0 228 229 A D H 4 S- 0 0 47 -4,-0.3 47,-0.2 1,-0.3 -1,-0.1 -0.938 111.4 -1.1-106.0 121.5 45.5 35.1 44.6 229 230 A P H >4 S+ 0 0 63 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.965 123.2 70.4 -98.4 9.4 47.4 37.0 45.7 230 231 A Q H >< S+ 0 0 66 -4,-1.8 3,-1.0 1,-0.3 8,-0.5 0.723 88.9 72.3 -56.0 -19.4 46.0 37.3 49.3 231 232 A R T 3< S+ 0 0 76 -4,-2.9 118,-0.3 -5,-0.3 -1,-0.3 0.768 88.6 62.5 -66.5 -24.5 47.1 33.7 49.9 232 233 A N T < S+ 0 0 28 -3,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.648 87.9 78.9 -77.5 -15.7 50.8 34.9 50.0 233 234 A F X - 0 0 68 -3,-1.0 3,-1.1 -4,-0.3 5,-0.4 -0.838 56.3-163.4-107.7 112.2 50.5 37.2 53.0 234 235 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 181,-0.1 0.807 93.4 59.5 -54.3 -34.3 50.5 35.9 56.6 235 236 A A T 3 S+ 0 0 11 179,-0.5 2,-0.2 2,-0.1 180,-0.1 0.847 97.9 72.6 -65.5 -33.6 49.1 39.2 57.9 236 237 A E S < S- 0 0 100 -3,-1.1 2,-1.4 -6,-0.2 3,-0.2 -0.593 81.0-135.1 -85.7 143.7 46.1 38.8 55.7 237 238 A A + 0 0 98 -2,-0.2 -6,-0.1 1,-0.2 -1,-0.1 -0.530 58.6 136.1 -92.8 66.4 43.3 36.2 56.5 238 239 A G + 0 0 6 -2,-1.4 -1,-0.2 -8,-0.5 -7,-0.2 0.427 43.9 76.5 -96.7 0.1 43.3 35.1 52.8 239 240 A T S S- 0 0 38 -3,-0.2 -16,-0.1 -9,-0.1 -15,-0.0 -0.516 84.2-113.3-103.1 175.8 43.2 31.4 53.1 240 241 A S - 0 0 14 -2,-0.2 -21,-0.1 1,-0.0 -1,-0.1 0.848 26.3-142.8 -80.1 -34.5 40.2 29.1 54.0 241 242 A G + 0 0 9 -36,-0.0 4,-0.2 1,-0.0 -1,-0.0 0.608 64.7 123.0 80.0 10.8 41.3 27.8 57.4 242 243 A L >> + 0 0 1 1,-0.2 4,-2.1 2,-0.1 3,-0.8 0.495 31.0 107.3 -83.8 -3.9 39.7 24.5 56.4 243 244 A S H 3> S+ 0 0 39 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.863 82.7 42.7 -44.3 -50.9 42.9 22.4 56.8 244 245 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 6,-0.3 0.843 112.1 56.5 -68.6 -26.7 41.8 20.6 60.1 245 246 A A H <4>S+ 0 0 0 -3,-0.8 5,-2.0 -4,-0.2 6,-1.6 0.839 111.4 42.9 -69.4 -32.4 38.4 20.1 58.6 246 247 A L H <5S+ 0 0 20 -4,-2.1 -1,-0.2 -3,-0.2 -3,-0.2 0.835 112.2 52.6 -81.9 -34.9 39.9 18.3 55.6 247 248 A K H <5S+ 0 0 15 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.1 0.931 121.0 32.0 -66.1 -45.4 42.3 16.3 57.7 248 249 A F T <5S- 0 0 7 -4,-2.2 -236,-2.5 -5,-0.2 -1,-0.2 0.401 111.4-118.2 -93.3 2.4 39.6 14.9 60.0 249 250 A G T 5 + 0 0 2 -238,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.809 65.8 142.8 68.4 30.9 36.9 15.0 57.3 250 251 A A S - 0 0 0 -2,-0.4 4,-1.8 1,-0.1 3,-0.2 -0.613 16.0-129.2 -84.4 148.0 34.0 16.2 52.3 253 254 A I H > S+ 0 0 3 -125,-0.4 4,-1.9 -2,-0.2 -1,-0.1 0.797 108.5 51.8 -66.2 -28.8 36.5 16.7 49.5 254 255 A R H > S+ 0 0 4 -238,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.816 106.5 53.1 -77.8 -30.7 33.7 16.6 46.8 255 256 A Q H > S+ 0 0 30 2,-0.2 4,-2.7 -239,-0.2 5,-0.2 0.918 110.7 48.8 -67.5 -42.8 31.7 19.3 48.6 256 257 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.933 113.1 45.7 -61.7 -47.8 34.8 21.5 48.7 257 258 A W H X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.914 114.9 48.2 -63.5 -42.0 35.5 21.0 45.0 258 259 A Q H X S+ 0 0 103 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.912 108.9 52.0 -65.4 -45.0 31.9 21.6 44.1 259 260 A A H X S+ 0 0 23 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.890 114.6 43.8 -59.1 -39.4 31.5 24.8 46.1 260 261 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.863 112.9 51.4 -73.1 -37.7 34.7 26.2 44.4 261 262 A S H X S+ 0 0 50 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.867 110.2 49.3 -67.1 -37.0 33.5 25.0 41.0 262 263 A A H X S+ 0 0 59 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.812 109.5 51.9 -72.3 -30.8 30.1 26.7 41.5 263 264 A A H X S+ 0 0 14 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.824 108.2 52.5 -73.5 -31.6 31.8 29.9 42.6 264 265 A H H < S+ 0 0 24 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.879 111.4 45.0 -70.3 -39.9 34.0 29.8 39.4 265 266 A A H < S+ 0 0 77 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.813 114.2 49.7 -73.0 -32.5 31.0 29.5 37.2 266 267 A L H < S+ 0 0 145 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.827 93.8 91.7 -75.1 -34.5 29.1 32.2 39.1 267 268 A S < - 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