==== 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 1OWM . COMPND 2 MOLECULE: DEOXYRIBODIPYRIMIDINE PHOTOLYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR H.KOMORI,S.ADACHI,K.MIKI,A.EKER,R.KORT . 473 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 66.4 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 . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 3 0 2 1 0 3 1 0 1 1 0 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 78 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.0 19.5 -8.9 63.2 2 3 A A + 0 0 47 90,-0.1 27,-0.2 91,-0.0 2,-0.2 -0.687 360.0 166.3-133.8 80.7 21.8 -7.9 60.4 3 4 A P - 0 0 0 0, 0.0 90,-2.0 0, 0.0 91,-0.9 -0.504 31.7-125.4 -92.5 163.5 23.1 -4.3 60.7 4 5 A I E -ab 30 94A 0 25,-2.2 27,-2.5 88,-0.2 2,-0.4 -0.924 18.1-148.5-109.5 131.4 25.9 -2.6 58.9 5 6 A L E -ab 31 95A 0 89,-2.4 91,-2.9 -2,-0.5 2,-0.6 -0.828 4.8-157.0 -98.8 134.3 28.6 -0.9 60.9 6 7 A F E -ab 32 96A 0 25,-2.5 27,-1.4 -2,-0.4 2,-0.8 -0.957 10.4-146.8-113.0 119.6 30.3 2.2 59.5 7 8 A W E -ab 33 97A 4 89,-3.2 91,-0.5 -2,-0.6 2,-0.3 -0.736 11.7-158.7 -91.5 108.8 33.8 2.9 60.9 8 9 A H E +a 34 0A 0 25,-2.7 27,-0.5 -2,-0.8 4,-0.1 -0.628 32.0 139.6 -84.9 142.2 34.7 6.6 61.1 9 10 A R S S+ 0 0 23 -2,-0.3 3,-0.2 25,-0.1 -1,-0.1 0.329 83.8 1.1-140.6 -72.1 38.3 7.7 61.3 10 11 A R S S+ 0 0 61 88,-0.2 -2,-0.1 1,-0.2 240,-0.0 -0.058 118.2 75.6-115.8 29.9 39.1 10.8 59.2 11 12 A D + 0 0 4 239,-0.1 2,-2.2 87,-0.0 238,-0.3 -0.421 55.0 169.5-138.1 59.1 35.6 11.4 57.9 12 13 A L + 0 0 1 236,-2.7 2,-0.3 -3,-0.2 197,-0.2 -0.450 47.0 80.1 -78.5 74.6 33.7 12.8 60.9 13 14 A R - 0 0 4 -2,-2.2 238,-0.1 195,-0.1 237,-0.1 -0.967 67.9-137.3-165.8 162.2 30.5 13.9 59.1 14 15 A L S S+ 0 0 3 -2,-0.3 3,-0.4 236,-0.1 2,-0.1 0.708 80.8 78.5-100.0 -25.5 27.3 12.4 57.9 15 16 A S S S+ 0 0 9 1,-0.2 150,-0.1 151,-0.2 151,-0.1 -0.395 98.1 4.3 -85.9 161.9 27.1 14.3 54.6 16 17 A D S S+ 0 0 1 148,-0.9 2,-0.5 1,-0.2 238,-0.3 0.826 82.9 149.9 30.3 60.9 29.0 13.6 51.3 17 18 A N > - 0 0 1 -3,-0.4 4,-3.1 148,-0.4 5,-0.3 -0.941 36.8-157.9-123.7 106.6 30.6 10.5 52.7 18 19 A I H > S+ 0 0 34 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.920 91.5 39.8 -46.3 -61.8 31.4 7.8 50.0 19 20 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 116.6 49.1 -58.7 -47.6 31.5 4.8 52.4 20 21 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 112.7 48.5 -59.2 -46.4 28.6 5.8 54.6 21 22 A A H X S+ 0 0 22 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.905 110.6 50.6 -61.4 -43.6 26.4 6.5 51.5 22 23 A A H < S+ 0 0 32 -4,-2.5 4,-0.4 -5,-0.3 3,-0.3 0.916 111.4 49.3 -61.0 -41.4 27.3 3.1 50.0 23 24 A A H >X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 3,-1.5 0.904 106.3 55.5 -64.6 -41.7 26.4 1.4 53.3 24 25 A R H 3< S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 100.6 59.0 -63.1 -28.2 23.1 3.3 53.5 25 26 A A T 3< S+ 0 0 81 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.646 110.7 44.2 -74.8 -13.7 22.1 1.9 50.1 26 27 A Q T <4 S+ 0 0 115 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.2 0.699 128.4 1.3-101.0 -24.3 22.6 -1.6 51.5 27 28 A S < - 0 0 20 -4,-1.5 -1,-0.3 1,-0.1 3,-0.0 -0.950 40.5-151.5-166.0 143.7 20.8 -1.1 54.9 28 29 A A S S+ 0 0 27 -2,-0.3 143,-2.9 1,-0.2 2,-2.1 0.608 90.2 84.0 -87.4 -16.7 18.9 1.5 56.9 29 30 A Q + 0 0 33 141,-0.3 -25,-2.2 -27,-0.2 2,-0.6 -0.467 66.4 157.6 -84.7 63.0 20.1 -0.2 60.1 30 31 A L E -a 4 0A 0 -2,-2.1 2,-0.5 -27,-0.2 41,-0.3 -0.842 20.8-173.7 -98.1 114.9 23.3 1.8 59.7 31 32 A I E -a 5 0A 0 -27,-2.5 -25,-2.5 -2,-0.6 41,-0.2 -0.937 11.4-147.3-114.5 122.8 25.3 2.2 63.0 32 33 A G E -ac 6 72A 0 39,-1.7 41,-2.8 -2,-0.5 2,-0.3 -0.356 17.9-176.7 -82.0 165.0 28.3 4.5 63.1 33 34 A L E -ac 7 73A 0 -27,-1.4 -25,-2.7 39,-0.3 2,-0.4 -0.987 16.7-164.3-159.0 155.2 31.3 3.9 65.3 34 35 A F E -ac 8 74A 17 39,-2.2 41,-2.1 -2,-0.3 2,-0.6 -0.985 11.9-152.7-143.6 132.1 34.6 5.5 66.3 35 36 A C E - c 0 75A 10 -27,-0.5 2,-1.2 -2,-0.4 41,-0.2 -0.929 11.7-142.1-113.3 118.4 37.5 3.7 68.0 36 37 A L E - c 0 76A 9 39,-3.9 41,-1.5 -2,-0.6 3,-0.0 -0.651 25.3-155.7 -76.3 99.6 39.9 5.6 70.2 37 38 A D >> - 0 0 11 -2,-1.2 4,-2.8 39,-0.2 3,-1.5 -0.709 10.3-152.3 -85.3 115.6 43.1 3.8 69.2 38 39 A P H 3> S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.808 93.1 63.8 -55.4 -35.4 45.8 4.0 72.0 39 40 A Q H 34 S+ 0 0 125 1,-0.2 39,-0.0 2,-0.2 -2,-0.0 0.808 115.6 32.2 -61.9 -26.4 48.7 3.6 69.5 40 41 A I H X4 S+ 0 0 46 -3,-1.5 3,-0.8 2,-0.1 -1,-0.2 0.869 121.4 46.9 -94.4 -48.5 47.5 6.9 68.0 41 42 A L H 3< S+ 0 0 17 -4,-2.8 -2,-0.2 1,-0.2 5,-0.1 0.857 115.0 45.2 -63.9 -37.8 46.2 8.7 71.0 42 43 A Q T 3< S+ 0 0 163 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.1 0.463 86.8 125.5 -86.4 -0.7 49.1 7.9 73.3 43 44 A S X - 0 0 50 -3,-0.8 3,-1.9 -5,-0.2 -3,-0.1 -0.296 66.2-135.2 -63.1 138.7 51.6 8.9 70.6 44 45 A A T 3 S+ 0 0 77 1,-0.3 -1,-0.2 3,-0.0 -4,-0.0 0.679 107.1 61.7 -64.9 -14.5 54.3 11.4 71.4 45 46 A D T 3 S+ 0 0 57 -5,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.299 76.8 112.5 -95.1 9.0 53.4 12.9 68.0 46 47 A M < - 0 0 23 -3,-1.9 329,-0.1 -5,-0.1 3,-0.1 -0.684 62.4-137.6 -84.2 131.9 49.8 13.6 68.9 47 48 A A > - 0 0 0 -2,-0.4 4,-2.1 327,-0.2 3,-0.4 -0.752 5.2-141.3 -92.4 131.9 48.9 17.3 69.0 48 49 A P H > S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.895 105.1 53.5 -55.0 -40.1 46.7 18.6 71.9 49 50 A A H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.843 106.6 52.3 -64.4 -34.1 44.9 20.9 69.5 50 51 A R H > S+ 0 0 11 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.898 108.1 49.9 -71.0 -38.9 44.2 18.1 67.1 51 52 A V H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.897 111.5 50.1 -65.7 -37.7 42.6 16.0 69.9 52 53 A A H X S+ 0 0 11 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.936 112.5 45.2 -65.3 -47.2 40.4 19.0 70.8 53 54 A Y H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 155,-0.2 0.923 114.7 49.8 -62.0 -44.5 39.3 19.5 67.3 54 55 A L H X S+ 0 0 16 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.947 109.7 49.6 -57.7 -52.0 38.7 15.8 66.9 55 56 A Q H X S+ 0 0 24 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.882 109.9 52.6 -57.8 -39.1 36.7 15.6 70.1 56 57 A G H X S+ 0 0 13 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.909 109.0 49.5 -64.1 -40.1 34.6 18.5 68.9 57 58 A C H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 152,-0.3 0.902 109.6 51.5 -65.0 -40.7 33.9 16.8 65.6 58 59 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.887 103.6 58.8 -64.1 -39.6 32.8 13.6 67.4 59 60 A Q H X S+ 0 0 103 -4,-2.1 4,-1.3 1,-0.2 3,-0.2 0.946 110.4 41.6 -55.6 -49.9 30.4 15.5 69.7 60 61 A E H >X S+ 0 0 33 -4,-1.6 4,-2.6 1,-0.2 3,-0.5 0.942 110.3 57.8 -64.1 -44.8 28.5 16.8 66.6 61 62 A L H 3X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.830 101.5 56.3 -54.9 -34.9 28.7 13.4 64.9 62 63 A Q H 3X S+ 0 0 62 -4,-2.2 4,-2.1 -3,-0.2 -1,-0.3 0.920 110.1 45.7 -62.5 -43.0 27.0 11.8 67.9 63 64 A Q H S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 4,-1.4 0.919 112.5 51.4 -64.6 -43.6 23.6 9.9 64.1 66 67 A Q H <5S+ 0 0 134 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.916 112.6 45.9 -59.5 -43.8 21.0 10.4 66.8 67 68 A Q H <5S+ 0 0 132 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.805 108.6 57.0 -70.3 -28.6 19.0 12.8 64.6 68 69 A A H <5S- 0 0 15 -4,-1.8 102,-2.7 -5,-0.3 -1,-0.2 0.747 126.3 -95.1 -75.1 -24.0 19.3 10.4 61.7 69 70 A G T <5S+ 0 0 31 -4,-1.4 103,-0.5 -3,-0.4 -3,-0.2 0.339 96.6 46.4 128.4 -9.3 17.7 7.5 63.6 70 71 A S S > - 0 0 50 -2,-0.3 4,-2.8 -41,-0.1 3,-1.2 -0.591 51.8-146.5 -74.8 120.0 43.1 -2.0 69.6 79 80 A P H 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.873 92.6 55.5 -53.7 -48.4 41.0 -1.9 66.3 80 81 A Q H 34 S+ 0 0 65 1,-0.2 -2,-0.1 2,-0.2 29,-0.0 0.642 118.7 36.3 -67.1 -10.5 41.8 -5.3 64.9 81 82 A H H <> S+ 0 0 108 -3,-1.2 4,-1.5 3,-0.1 -1,-0.2 0.825 122.9 38.8-101.8 -54.2 40.6 -6.9 68.1 82 83 A L H X S+ 0 0 30 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.894 112.4 53.2 -65.8 -44.8 37.7 -4.6 69.1 83 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.924 112.4 43.5 -60.8 -46.7 36.1 -3.9 65.7 84 85 A P H > S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.876 113.7 52.2 -66.7 -35.8 35.8 -7.6 64.7 85 86 A Q H X S+ 0 0 90 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.923 112.0 46.3 -64.0 -43.6 34.5 -8.5 68.2 86 87 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.935 112.9 48.6 -63.8 -48.3 31.9 -5.8 68.0 87 88 A A H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.3 0.911 113.5 48.1 -59.5 -42.7 30.9 -6.8 64.5 88 89 A Q H ><5S+ 0 0 117 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.937 109.6 51.0 -63.8 -48.8 30.6 -10.4 65.5 89 90 A Q H 3<5S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.766 116.1 43.6 -59.1 -25.2 28.6 -9.6 68.7 90 91 A L T 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.409 105.0-131.4 -99.6 -0.6 26.3 -7.6 66.4 91 92 A Q T < 5 - 0 0 137 -3,-1.6 -3,-0.2 -4,-0.3 -4,-0.1 0.911 37.1-157.8 47.0 46.0 26.2 -10.3 63.7 92 93 A A < - 0 0 6 -5,-2.8 30,-0.2 -90,-0.2 -88,-0.2 -0.269 25.5-144.7 -59.3 132.2 27.0 -7.5 61.3 93 94 A E S S- 0 0 76 -90,-2.0 29,-0.8 1,-0.3 2,-0.3 0.816 81.3 -29.8 -64.9 -27.7 26.1 -8.0 57.7 94 95 A A E -bd 4 122A 4 -91,-0.9 -89,-2.4 27,-0.2 2,-0.4 -0.965 51.7-124.2-179.0 163.8 29.3 -5.9 57.0 95 96 A V E -bd 5 123A 0 27,-2.5 29,-2.3 -2,-0.3 2,-0.3 -0.996 29.4-167.0-124.5 125.9 31.6 -3.2 58.2 96 97 A Y E +bd 6 124A 25 -91,-2.9 -89,-3.2 -2,-0.4 2,-0.3 -0.763 15.2 152.4-111.1 158.1 32.3 -0.3 55.9 97 98 A W E -bd 7 125A 1 27,-1.7 29,-1.9 -2,-0.3 2,-0.4 -0.949 41.9 -98.1-175.0 160.7 34.9 2.5 56.0 98 99 A N E - d 0 126A 11 -91,-0.5 29,-0.2 -2,-0.3 -88,-0.2 -0.764 46.3-104.4 -94.6 136.6 36.9 4.8 53.8 99 100 A Q - 0 0 32 27,-2.1 30,-0.3 -2,-0.4 29,-0.3 -0.157 27.4-139.8 -60.0 147.0 40.5 4.0 52.8 100 101 A D - 0 0 8 2,-0.1 -1,-0.1 1,-0.1 27,-0.0 -0.613 8.2-155.9-101.7 162.2 43.6 5.5 54.3 101 102 A I + 0 0 3 -2,-0.2 -1,-0.1 33,-0.0 -2,-0.0 0.513 66.5 96.6-111.2 -15.0 46.7 6.6 52.5 102 103 A E S > S- 0 0 19 1,-0.1 4,-2.7 198,-0.0 5,-0.3 -0.507 79.3-122.7 -82.4 144.1 49.1 6.3 55.5 103 104 A P H > S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.896 110.4 47.1 -47.3 -52.3 51.3 3.3 56.4 104 105 A Y H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.946 114.2 45.4 -59.7 -51.6 49.7 2.8 59.8 105 106 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.887 114.0 48.4 -61.6 -41.0 46.1 3.0 58.7 106 107 A R H X S+ 0 0 77 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.915 113.0 47.1 -68.3 -40.9 46.6 0.8 55.7 107 108 A D H X S+ 0 0 116 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.956 114.7 47.2 -63.5 -48.5 48.4 -1.9 57.7 108 109 A R H X S+ 0 0 31 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.935 111.0 52.3 -55.9 -50.1 45.7 -1.8 60.4 109 110 A D H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.892 105.3 53.7 -55.5 -44.5 43.0 -1.9 57.8 110 111 A G H X S+ 0 0 38 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.941 111.2 47.9 -56.4 -45.0 44.4 -5.0 56.2 111 112 A Q H X S+ 0 0 99 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.870 111.5 48.3 -63.9 -41.1 44.4 -6.6 59.6 112 113 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.969 112.8 48.4 -64.9 -50.5 40.8 -5.6 60.5 113 114 A A H X S+ 0 0 19 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.914 112.6 47.9 -54.6 -47.8 39.5 -6.8 57.1 114 115 A A H X S+ 0 0 51 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.916 112.0 50.6 -61.2 -41.9 41.3 -10.2 57.4 115 116 A A H X S+ 0 0 30 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.925 112.2 47.4 -61.4 -42.5 40.0 -10.5 61.0 116 117 A L H <>S+ 0 0 0 -4,-3.0 5,-3.2 1,-0.2 -2,-0.2 0.905 108.9 53.1 -65.7 -41.1 36.5 -9.8 59.7 117 118 A K H ><5S+ 0 0 171 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.870 106.2 53.7 -62.5 -37.1 36.8 -12.2 56.8 118 119 A T H 3<5S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.870 108.0 50.2 -63.9 -36.5 37.8 -15.0 59.2 119 120 A A T 3<5S- 0 0 35 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.411 121.2-114.9 -81.2 2.0 34.6 -14.2 61.1 120 121 A G T < 5S+ 0 0 66 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.740 71.8 137.2 71.4 23.5 32.8 -14.5 57.8 121 122 A I < - 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0 0 12 -102,-2.7 2,-0.5 -3,-0.1 -141,-0.3 -0.393 25.7-124.8 -80.8 158.8 18.3 5.0 60.0 171 172 A V - 0 0 75 -143,-2.9 -101,-0.1 -2,-0.1 -102,-0.1 -0.929 25.9-140.2-107.4 126.4 17.2 2.1 62.2 172 173 A D - 0 0 54 -2,-0.5 -102,-0.1 -103,-0.5 2,-0.1 -0.294 25.6 -91.9 -81.6 166.2 18.8 2.1 65.7 173 174 A L - 0 0 11 1,-0.1 -1,-0.1 -143,-0.1 -143,-0.0 -0.405 40.4-122.5 -74.4 156.3 20.0 -0.9 67.7 174 175 A S > - 0 0 47 -2,-0.1 4,-3.3 1,-0.1 5,-0.2 -0.489 25.9-103.2 -94.9 167.3 17.7 -2.8 70.0 175 176 A P H > S+ 0 0 103 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.898 123.2 52.2 -57.0 -42.1 18.2 -3.4 73.8 176 177 A E H > S+ 0 0 171 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.872 112.0 45.8 -63.0 -38.0 19.2 -7.0 73.1 177 178 A Q H > S+ 0 0 23 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.952 112.2 51.2 -69.0 -47.0 21.7 -5.8 70.6 178 179 A L H X S+ 0 0 46 -4,-3.3 4,-1.4 1,-0.2 3,-0.3 0.860 108.5 52.7 -58.1 -34.4 23.0 -3.2 73.0 179 180 A T H < S+ 0 0 103 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.890 103.4 57.3 -69.2 -37.4 23.3 -5.8 75.7 180 181 A A H < S+ 0 0 32 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.785 117.5 32.5 -64.5 -27.0 25.4 -8.0 73.4 181 182 A I H >X S+ 0 0 0 -4,-1.3 3,-2.9 -3,-0.3 4,-0.7 0.564 83.1 109.5-108.3 -8.3 28.0 -5.3 72.9 182 183 A A G >< S+ 0 0 56 -4,-1.4 3,-1.5 1,-0.3 -2,-0.1 0.786 75.3 57.3 -33.5 -53.3 27.9 -3.4 76.3 183 184 A P G 34 S+ 0 0 122 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.691 106.5 50.6 -56.9 -22.2 31.4 -4.7 77.4 184 185 A L G <4 S+ 0 0 27 -3,-2.9 -108,-0.4 2,-0.1 2,-0.3 0.572 97.7 87.3 -94.3 -10.4 33.0 -3.2 74.3 185 186 A L << - 0 0 48 -3,-1.5 2,-0.4 -4,-0.7 -110,-0.2 -0.632 69.4-132.9-100.1 151.0 31.5 0.3 74.6 186 187 A L - 0 0 52 -112,-2.3 -112,-0.4 -2,-0.3 3,-0.1 -0.747 25.0-132.7 -88.7 141.8 32.4 3.5 76.3 187 188 A S S S- 0 0 125 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.742 81.3 -4.2 -69.7 -22.9 29.3 4.9 78.1 188 189 A E S S- 0 0 139 -114,-0.0 -1,-0.1 -3,-0.0 0, 0.0 -0.985 88.4 -76.5-162.4 165.1 30.0 8.4 76.8 189 190 A L - 0 0 18 -2,-0.3 -2,-0.0 -3,-0.1 -134,-0.0 -0.549 54.4-123.6 -69.4 121.5 32.4 10.5 74.7 190 191 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.357 24.1-118.6 -66.3 148.9 35.4 11.3 77.0 191 192 A T > - 0 0 68 1,-0.1 4,-1.8 -2,-0.0 5,-0.2 -0.425 26.6-106.0 -81.3 162.8 36.1 14.9 77.4 192 193 A L T 4>S+ 0 0 28 1,-0.2 5,-2.3 2,-0.2 4,-0.5 0.932 123.6 49.8 -53.4 -46.9 39.5 16.4 76.3 193 194 A K T >45S+ 0 0 161 1,-0.2 3,-1.3 3,-0.2 -1,-0.2 0.882 106.1 54.8 -61.2 -40.5 40.5 16.6 80.0 194 195 A Q T 345S+ 0 0 149 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.838 105.4 54.0 -63.3 -31.9 39.5 13.0 80.7 195 196 A L T 3<5S- 0 0 40 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.601 125.4-107.1 -76.7 -10.8 41.8 11.9 77.8 196 197 A G T < 5S+ 0 0 65 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.705 79.7 119.0 92.6 22.8 44.6 13.8 79.6 197 198 A F < - 0 0 43 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.811 41.8-164.4-120.3 160.4 44.8 16.8 77.2 198 199 A D + 0 0 132 -2,-0.3 2,-0.3 -3,-0.1 -146,-0.1 -0.989 13.5 164.9-144.7 133.7 44.3 20.5 77.5 199 200 A W + 0 0 54 -2,-0.3 -6,-0.1 -151,-0.1 -7,-0.1 -0.960 14.4 154.9-151.4 131.2 43.8 23.1 74.8 200 201 A D + 0 0 162 -2,-0.3 -1,-0.1 142,-0.1 142,-0.0 0.136 50.7 100.5-141.5 16.3 42.6 26.7 75.0 201 202 A G S S- 0 0 28 1,-0.3 2,-0.1 140,-0.1 -152,-0.0 0.439 77.1-131.3 -88.3 0.1 44.2 28.2 71.9 202 203 A G - 0 0 31 142,-0.0 -1,-0.3 2,-0.0 -2,-0.0 -0.332 19.9 -94.2 84.2-168.6 41.2 28.1 69.6 203 204 A F - 0 0 51 -2,-0.1 3,-0.2 1,-0.1 141,-0.1 -0.961 17.6-118.4-149.2 160.0 40.9 26.8 66.0 204 205 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.786 111.8 8.3 -70.5 -27.2 41.1 28.1 62.4 205 206 A V S S- 0 0 4 37,-0.0 3,-0.1 -3,-0.0 7,-0.1 -0.950 97.9 -98.8-153.2 131.0 37.5 27.0 62.1 206 207 A E - 0 0 115 -2,-0.3 -153,-0.0 -3,-0.2 5,-0.0 -0.147 52.5 -92.4 -51.2 146.3 35.3 25.8 65.0 207 208 A P S S+ 0 0 27 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.188 79.5 57.7 -60.7 151.2 35.0 21.9 65.2 208 209 A G S > S- 0 0 0 -155,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.043 84.0 -88.3 109.6 150.8 32.3 20.1 63.5 209 210 A E H > S+ 0 0 10 -152,-0.3 4,-2.7 1,-0.2 5,-0.2 0.936 121.0 52.4 -56.8 -52.1 30.6 19.3 60.2 210 211 A T H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 111.3 44.6 -54.6 -49.0 28.2 22.3 60.5 211 212 A A H > S+ 0 0 27 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.870 112.7 53.1 -66.5 -35.6 31.0 24.9 61.1 212 213 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 110.1 46.9 -63.5 -47.0 33.1 23.4 58.3 213 214 A I H X S+ 0 0 36 -4,-2.7 4,-2.3 37,-0.2 -1,-0.2 0.871 111.3 52.3 -61.9 -39.5 30.2 23.7 55.8 214 215 A A H X S+ 0 0 31 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.896 110.2 48.1 -65.1 -41.8 29.6 27.3 56.9 215 216 A R H X S+ 0 0 68 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.919 109.8 51.6 -65.9 -44.6 33.2 28.2 56.4 216 217 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.942 113.2 45.4 -57.2 -48.3 33.4 26.6 53.0 217 218 A Q H X S+ 0 0 115 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.897 114.5 47.4 -63.3 -41.7 30.2 28.5 51.9 218 219 A E H X S+ 0 0 125 -4,-2.4 4,-1.1 2,-0.2 5,-0.5 0.913 114.1 47.1 -65.8 -44.6 31.5 31.8 53.4 219 220 A F H ><>S+ 0 0 8 -4,-3.0 5,-2.6 1,-0.2 3,-0.8 0.952 113.5 46.6 -61.8 -52.3 34.9 31.5 51.9 220 221 A C H 3<5S+ 0 0 11 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.597 107.6 60.1 -68.6 -11.0 33.6 30.6 48.4 221 222 A D H 3<5S- 0 0 109 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.770 132.2 -21.5 -87.9 -26.7 31.1 33.4 48.6 222 223 A R T X<5S+ 0 0 188 -4,-1.1 3,-2.5 -3,-0.8 4,-0.4 0.415 123.9 57.1-141.9 -74.8 33.7 36.2 48.9 223 224 A A G > 5S+ 0 0 42 -5,-0.5 3,-1.6 1,-0.3 4,-0.3 0.752 97.6 67.8 -41.2 -37.3 37.3 35.7 50.2 224 225 A I G > S+ 0 0 101 -3,-1.6 4,-2.0 -4,-0.4 -1,-0.3 0.289 78.1 119.0-108.7 8.2 41.0 37.4 46.1 227 228 A Y H <> + 0 0 16 -3,-1.3 4,-3.5 -4,-0.3 5,-0.3 0.870 62.7 80.0 -41.0 -47.5 42.8 34.1 47.0 228 229 A D H 4 S+ 0 0 43 -4,-0.3 -1,-0.1 1,-0.3 47,-0.1 -0.943 111.7 2.3-106.4 124.7 45.5 35.2 44.5 229 230 A P H >4 S+ 0 0 62 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.978 124.0 69.0 -94.0 5.8 47.4 37.2 45.6 230 231 A Q H >< S+ 0 0 55 -4,-2.0 3,-1.2 1,-0.3 8,-0.4 0.742 88.6 71.3 -53.6 -24.1 45.9 37.4 49.1 231 232 A R T 3< S+ 0 0 77 -4,-3.5 118,-0.3 -5,-0.3 -1,-0.3 0.804 88.7 63.2 -62.9 -29.9 47.1 33.8 49.8 232 233 A N T < S+ 0 0 33 -3,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.633 88.4 79.1 -71.2 -15.7 50.8 35.0 49.9 233 234 A F X - 0 0 65 -3,-1.2 3,-1.1 -4,-0.3 5,-0.4 -0.827 55.3-165.9-110.4 108.1 50.4 37.3 52.9 234 235 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 181,-0.1 0.740 92.5 59.9 -52.4 -29.3 50.3 35.9 56.5 235 236 A A T 3 S+ 0 0 13 179,-0.5 2,-0.2 2,-0.1 180,-0.1 0.889 97.0 70.6 -69.7 -39.1 49.0 39.2 57.8 236 237 A E S < S- 0 0 100 -3,-1.1 2,-1.6 -6,-0.2 3,-0.2 -0.536 83.8-132.6 -79.4 143.4 45.9 38.9 55.6 237 238 A A + 0 0 97 -2,-0.2 -6,-0.1 1,-0.2 -1,-0.1 -0.524 58.9 139.5 -91.3 66.1 43.3 36.3 56.5 238 239 A G + 0 0 6 -2,-1.6 2,-0.2 -5,-0.4 -1,-0.2 0.429 41.8 77.3 -93.1 -0.2 43.3 35.2 52.8 239 240 A T S S- 0 0 38 -3,-0.2 -16,-0.1 -9,-0.1 -15,-0.0 -0.592 82.8-115.3-105.3 171.0 43.0 31.5 53.1 240 241 A S - 0 0 12 -2,-0.2 -21,-0.1 1,-0.1 -1,-0.1 0.841 28.1-144.0 -74.5 -34.8 40.0 29.3 54.0 241 242 A G + 0 0 10 1,-0.0 4,-0.2 -36,-0.0 -1,-0.1 0.697 62.5 125.1 76.3 18.5 41.3 27.9 57.3 242 243 A L >> + 0 0 1 1,-0.2 4,-2.2 2,-0.1 3,-0.6 0.455 29.8 109.2 -89.0 -2.0 39.6 24.6 56.4 243 244 A S H 3> S+ 0 0 36 1,-0.3 4,-2.7 2,-0.2 3,-0.2 0.872 80.8 43.4 -44.1 -52.8 42.7 22.5 56.8 244 245 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 6,-0.3 0.875 112.1 55.3 -65.4 -31.4 41.6 20.7 60.0 245 246 A A H <4>S+ 0 0 0 -3,-0.6 5,-2.3 -4,-0.2 6,-1.4 0.853 112.1 43.4 -66.7 -33.1 38.2 20.2 58.5 246 247 A L H <5S+ 0 0 23 -4,-2.2 3,-0.3 -3,-0.2 -1,-0.2 0.872 112.1 52.6 -79.4 -37.2 39.8 18.5 55.5 247 248 A K H <5S+ 0 0 17 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.1 0.904 122.0 30.9 -64.3 -40.8 42.2 16.4 57.7 248 249 A F T <5S- 0 0 7 -4,-2.5 -236,-2.7 -5,-0.2 -1,-0.2 0.367 110.2-117.7 -99.7 4.9 39.4 15.1 59.8 249 250 A G T 5 + 0 0 4 -4,-0.3 -3,-0.2 -238,-0.3 -4,-0.1 0.841 63.6 146.0 65.0 33.8 36.7 15.1 57.1 250 251 A A S - 0 0 0 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.643 16.3-131.4 -85.0 143.7 33.7 16.3 52.2 253 254 A I H > S+ 0 0 4 -125,-0.4 4,-2.0 -2,-0.3 -1,-0.1 0.776 108.3 53.5 -64.7 -26.6 36.2 16.8 49.4 254 255 A R H > S+ 0 0 9 -238,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.850 106.8 50.9 -76.6 -34.2 33.5 16.8 46.8 255 256 A Q H > S+ 0 0 35 2,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.932 111.0 50.0 -66.6 -43.4 31.5 19.5 48.5 256 257 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.951 113.6 44.5 -58.8 -50.4 34.7 21.6 48.7 257 258 A W H X S+ 0 0 33 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.920 114.2 49.1 -62.0 -44.4 35.4 21.1 45.0 258 259 A Q H X S+ 0 0 101 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.896 109.7 51.8 -62.8 -41.0 31.8 21.8 44.0 259 260 A A H X S+ 0 0 22 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.914 113.2 44.0 -62.4 -43.9 31.6 25.0 46.1 260 261 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.918 114.0 51.2 -66.7 -42.4 34.7 26.4 44.5 261 262 A S H X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.904 109.5 49.3 -61.4 -43.7 33.5 25.3 41.0 262 263 A A H X S+ 0 0 58 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.865 109.2 52.9 -64.5 -36.1 30.1 27.0 41.5 263 264 A A H X S+ 0 0 16 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.879 108.9 50.1 -66.7 -36.0 31.9 30.1 42.6 264 265 A H H < S+ 0 0 22 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.866 111.6 47.3 -69.2 -37.3 34.0 30.0 39.4 265 266 A A H < S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.769 114.0 48.3 -74.6 -27.3 30.9 29.6 37.3 266 267 A L H < S+ 0 0 144 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.780 93.9 91.3 -82.6 -30.8 29.1 32.4 39.1 267 268 A S < - 0 0 13 -4,-1.8 3,-0.0 -5,-0.2 -3,-0.0 -0.390 49.9-174.4 -68.2 143.2 32.0 34.8 38.8 268 269 A R + 0 0 195 -2,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.070 58.4 94.1-123.2 19.4 32.1 37.1 35.8 269 270 A S > - 0 0 46 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.957 66.9-145.1-117.3 129.9 35.5 38.6 36.6 270 271 A D H > S+ 0 0 138 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.923 101.1 51.0 -57.2 -48.3 38.8 37.2 35.1 271 272 A E H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 111.7 47.2 -57.7 -43.2 40.8 37.9 38.3 272 273 A A H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 109.9 53.5 -64.1 -45.0 38.3 36.1 40.5 273 274 A R H X S+ 0 0 90 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.945 111.3 46.2 -53.1 -51.9 38.1 33.2 38.1 274 275 A N H X S+ 0 0 80 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.887 109.5 54.5 -59.0 -42.2 41.9 32.9 38.4 275 276 A S H X S+ 0 0 0 -4,-2.3 4,-1.6 -50,-0.3 -1,-0.2 0.897 111.4 45.3 -59.4 -40.8 41.8 33.3 42.1 276 277 A I H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.856 110.1 52.8 -72.1 -36.5 39.4 30.4 42.3 277 278 A R H X S+ 0 0 109 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.911 108.4 53.1 -64.8 -40.3 41.4 28.2 39.9 278 279 A V H X S+ 0 0 24 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.900 107.3 49.8 -61.2 -42.3 44.4 28.8 42.1 279 280 A W H >X S+ 0 0 8 -4,-1.6 4,-1.1 1,-0.2 3,-0.6 0.926 109.0 52.4 -63.5 -41.4 42.5 27.6 45.2 280 281 A Q H 3X S+ 0 0 4 -4,-2.2 4,-1.2 1,-0.3 -1,-0.2 0.842 102.4 60.4 -61.4 -31.9 41.5 24.5 43.3 281 282 A Q H 3X S+ 0 0 37 -4,-1.8 4,-2.3 1,-0.2 3,-0.4 0.881 97.4 59.1 -62.0 -38.7 45.1 24.0 42.5 282 283 A E H < + 0 0 45 -4,-3.5 3,-2.3 -5,-0.2 -1,-0.3 -0.618 66.2 169.6-124.3 71.3 55.9 5.7 48.1 297 298 A P G > S+ 0 0 69 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.749 71.5 71.5 -53.8 -27.0 55.2 4.8 51.7 298 299 A S G > S+ 0 0 58 1,-0.3 3,-2.4 2,-0.2 4,-0.4 0.717 76.5 82.5 -65.1 -18.0 59.0 5.0 52.6 299 300 A L G X S+ 0 0 6 -3,-2.3 3,-1.4 1,-0.3 -1,-0.3 0.857 81.9 63.2 -52.3 -35.3 58.7 8.8 52.1 300 301 A A G < S+ 0 0 27 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.662 88.4 71.1 -65.0 -16.7 57.4 8.8 55.7 301 302 A D G < S- 0 0 119 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.679 112.2 -97.3 -75.7 -17.4 60.8 7.5 56.9 302 303 A G S < S+ 0 0 3 -3,-1.4 -1,-0.3 -4,-0.4 7,-0.1 -0.924 86.8 24.3 134.7-161.4 62.6 10.7 56.3 303 304 A P - 0 0 12 0, 0.0 93,-0.1 0, 0.0 87,-0.0 -0.100 61.7-168.0 -40.6 120.8 64.8 12.2 53.4 304 305 A Y + 0 0 70 91,-0.8 92,-0.2 4,-0.1 5,-0.1 0.954 57.2 77.6 -82.5 -58.8 63.8 10.2 50.4 305 306 A R S >> S- 0 0 116 90,-3.4 4,-1.1 1,-0.1 3,-0.6 -0.312 86.2-118.7 -59.3 136.8 66.3 11.0 47.6 306 307 A S H >> S+ 0 0 83 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.836 109.7 55.4 -43.6 -51.2 69.6 9.0 48.1 307 308 A L H >4 S+ 0 0 41 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.921 108.9 49.1 -52.1 -47.3 71.9 12.0 48.4 308 309 A W H X4 S+ 0 0 9 -3,-0.6 3,-1.4 1,-0.3 -1,-0.3 0.727 95.5 68.5 -68.6 -22.7 69.8 13.3 51.3 309 310 A Q H << S+ 0 0 132 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.692 108.3 43.2 -68.1 -14.3 69.7 10.0 53.1 310 311 A Q T << S+ 0 0 127 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.183 79.7 137.0-114.1 13.0 73.4 10.8 53.6 311 312 A F < - 0 0 10 -3,-1.4 2,-2.0 1,-0.1 -3,-0.1 -0.446 59.0-124.9 -67.1 132.9 73.3 14.5 54.5 312 313 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.491 32.1-163.4 -77.7 74.8 75.7 15.4 57.4 313 314 A W - 0 0 32 -2,-2.0 51,-0.2 1,-0.1 50,-0.1 -0.387 13.3-152.1 -62.1 131.6 73.1 17.0 59.7 314 315 A E - 0 0 70 49,-1.2 50,-0.2 -2,-0.1 -1,-0.1 0.930 18.5-168.1 -70.4 -47.3 74.8 19.1 62.4 315 316 A N - 0 0 73 48,-1.6 2,-1.1 1,-0.2 49,-0.1 0.945 8.0-177.1 58.3 57.3 71.9 18.6 64.9 316 317 A R >> - 0 0 120 46,-0.5 4,-1.5 1,-0.2 3,-1.1 -0.768 15.3-155.2 -86.4 104.9 72.7 21.2 67.6 317 318 A E H 3> S+ 0 0 97 -2,-1.1 4,-2.9 1,-0.3 5,-0.2 0.828 89.4 60.9 -47.6 -39.9 69.9 20.5 70.0 318 319 A A H 3> S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.878 103.0 49.4 -59.3 -40.8 70.2 24.0 71.4 319 320 A L H <> S+ 0 0 8 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.882 111.8 49.2 -66.9 -37.6 69.3 25.6 68.1 320 321 A F H X S+ 0 0 15 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.956 109.9 50.6 -64.7 -51.3 66.3 23.3 67.7 321 322 A T H X S+ 0 0 50 -4,-2.9 4,-1.6 1,-0.3 -2,-0.2 0.927 109.8 50.5 -52.4 -48.4 65.1 24.1 71.2 322 323 A A H <>S+ 0 0 14 -4,-2.3 5,-3.0 1,-0.2 4,-0.3 0.894 110.8 50.5 -57.9 -39.3 65.4 27.8 70.4 323 324 A W H ><5S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.947 109.3 49.0 -64.1 -49.8 63.4 27.2 67.2 324 325 A T H 3<5S+ 0 0 23 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.739 113.7 48.9 -63.2 -22.1 60.6 25.3 69.0 325 326 A Q T 3<5S- 0 0 123 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.390 111.8-116.8 -99.4 3.3 60.4 28.1 71.6 326 327 A A T < 5S+ 0 0 2 -3,-1.5 -3,-0.2 -4,-0.3 3,-0.1 0.884 80.6 122.5 62.7 40.3 60.3 31.0 69.1 327 328 A Q < + 0 0 73 -5,-3.0 -4,-0.2 -6,-0.2 -5,-0.1 -0.125 25.1 115.1-121.7 33.5 63.6 32.3 70.4 328 329 A T S S- 0 0 0 -6,-0.3 125,-2.9 2,-0.2 126,-0.4 0.769 79.5-124.2 -75.2 -27.1 65.6 32.3 67.2 329 330 A G S S+ 0 0 2 123,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.455 79.3 113.9 95.0 -0.1 66.1 36.0 67.0 330 331 A Y > - 0 0 24 1,-0.2 4,-3.1 121,-0.2 3,-0.5 -0.914 57.9-154.0-107.1 104.6 64.5 36.2 63.6 331 332 A P H > S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.866 92.3 49.2 -43.8 -53.3 61.2 38.1 63.9 332 333 A I H > S+ 0 0 14 104,-0.4 4,-1.1 1,-0.2 22,-0.1 0.895 116.6 44.0 -59.6 -37.9 59.5 36.5 60.9 333 334 A V H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.938 115.4 46.1 -72.0 -47.2 60.5 33.0 62.2 334 335 A D H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.864 109.0 54.7 -65.0 -37.6 59.6 33.6 65.8 335 336 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.861 111.1 47.3 -63.9 -34.5 56.2 35.2 65.1 336 337 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.3 -2,-0.2 0.932 110.6 48.9 -72.9 -46.8 55.3 32.1 63.1 337 338 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.850 111.1 52.5 -62.7 -32.9 56.5 29.6 65.7 338 339 A R H X S+ 0 0 47 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.944 107.0 50.5 -67.4 -48.2 54.5 31.5 68.3 339 340 A Q H X S+ 0 0 18 -4,-1.8 4,-2.7 1,-0.2 6,-0.8 0.898 112.2 50.7 -55.9 -40.6 51.3 31.4 66.2 340 341 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.974 114.4 39.4 -61.3 -58.9 51.8 27.7 65.9 341 342 A T H < S+ 0 0 48 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.842 123.2 42.7 -63.6 -32.1 52.3 26.9 69.5 342 343 A E H < S+ 0 0 92 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.842 132.0 17.5 -84.7 -33.8 49.6 29.3 70.6 343 344 A T H < S- 0 0 32 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.463 92.4-124.5-118.1 -5.1 46.9 28.6 68.0 344 345 A G S < S+ 0 0 0 -4,-2.6 34,-3.0 -5,-0.4 35,-0.5 0.691 82.0 85.4 69.3 18.1 47.9 25.3 66.6 345 346 A W - 0 0 41 -6,-0.8 2,-0.3 32,-0.2 -2,-0.3 -0.993 53.3-168.3-148.7 151.9 47.9 26.7 63.1 346 347 A M - 0 0 0 -2,-0.3 2,-0.1 -3,-0.1 5,-0.1 -0.998 32.1-106.9-145.4 139.5 50.4 28.5 60.8 347 348 A H >> - 0 0 6 -2,-0.3 4,-2.0 1,-0.1 3,-0.8 -0.418 34.9-122.1 -62.4 134.6 50.0 30.4 57.5 348 349 A N H 3> S+ 0 0 99 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.815 111.7 56.5 -50.5 -39.0 51.6 28.3 54.7 349 350 A R H 3> S+ 0 0 40 -118,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.921 110.1 47.7 -60.9 -39.6 54.0 31.0 53.7 350 351 A C H <> S+ 0 0 3 -3,-0.8 4,-2.9 2,-0.2 5,-0.3 0.875 107.5 53.7 -68.4 -37.8 55.2 30.9 57.3 351 352 A R H X S+ 0 0 45 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.938 108.7 51.1 -62.3 -41.7 55.5 27.1 57.4 352 353 A M H X S+ 0 0 40 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.916 113.5 45.7 -58.7 -43.7 57.7 27.4 54.3 353 354 A I H X S+ 0 0 5 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.967 114.4 43.4 -66.0 -56.0 59.9 30.0 56.0 354 355 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.818 116.2 50.2 -62.4 -30.2 60.3 28.3 59.4 355 356 A A H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.917 111.4 47.0 -73.0 -45.0 60.9 25.0 57.7 356 357 A S H X>S+ 0 0 1 -4,-2.2 4,-3.1 -5,-0.3 5,-0.8 0.926 114.3 50.0 -60.4 -43.0 63.5 26.4 55.4 357 358 A F H X>S+ 0 0 2 -4,-3.0 5,-2.4 3,-0.2 4,-1.1 0.948 111.7 46.1 -60.7 -52.2 65.1 28.1 58.4 358 359 A L H <5S+ 0 0 0 -4,-2.6 6,-1.7 3,-0.2 -1,-0.2 0.909 123.3 34.4 -58.3 -44.7 65.2 25.0 60.5 359 360 A T H <5S+ 0 0 0 -4,-2.5 -2,-0.2 4,-0.2 -3,-0.2 0.938 130.4 28.8 -78.2 -49.8 66.6 22.9 57.7 360 361 A K H <5S+ 0 0 15 -4,-3.1 103,-0.2 -5,-0.3 -3,-0.2 0.919 131.3 30.7 -79.8 -48.4 68.9 25.3 55.9 361 362 A D T < - 0 0 20 -2,-0.4 3,-2.3 1,-0.2 4,-0.5 -0.208 40.8-133.6 -40.1 115.1 67.6 16.8 60.4 366 367 A W T 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 3,-0.4 0.631 96.5 81.2 -58.1 -11.2 64.2 18.1 59.2 367 368 A R H 3> S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.836 86.1 58.5 -63.3 -29.3 62.5 15.1 60.8 368 369 A R H <> S+ 0 0 70 -3,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.867 109.4 44.2 -66.4 -35.1 62.8 17.0 64.2 369 370 A G H > S+ 0 0 0 -4,-0.5 4,-2.6 -3,-0.4 -2,-0.2 0.895 110.5 53.0 -74.8 -41.6 60.7 19.8 62.6 370 371 A E H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 112.6 46.8 -57.8 -44.2 58.2 17.4 61.0 371 372 A Q H X S+ 0 0 69 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.910 110.7 50.6 -65.4 -44.6 57.7 15.9 64.4 372 373 A F H < S+ 0 0 19 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.886 110.4 50.4 -63.1 -37.6 57.4 19.2 66.2 373 374 A F H >X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.2 3,-1.6 0.929 109.9 50.0 -64.7 -45.2 54.8 20.3 63.6 374 375 A M H 3< S+ 0 0 26 -4,-2.3 -327,-0.2 1,-0.3 -1,-0.2 0.829 106.4 57.1 -62.0 -30.9 52.8 17.1 64.2 375 376 A Q T 3< S+ 0 0 51 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.556 123.5 22.4 -78.0 -5.1 53.0 17.7 67.9 376 377 A H T <4 S+ 0 0 53 -3,-1.6 2,-0.4 -4,-0.3 -2,-0.2 0.568 91.9 104.9-135.4 -16.8 51.3 21.1 67.5 377 378 A L >< - 0 0 1 -4,-3.0 3,-1.3 1,-0.2 -330,-0.2 -0.595 49.5-157.5 -79.2 125.7 49.3 21.3 64.2 378 379 A V T 3 S+ 0 0 0 -34,-3.0 -1,-0.2 -2,-0.4 -33,-0.1 0.736 105.5 40.6 -68.9 -20.3 45.5 21.1 64.5 379 380 A D T 3 S+ 0 0 12 -35,-0.5 -1,-0.3 -132,-0.1 -5,-0.1 0.219 83.5 161.6-109.3 12.7 45.7 20.0 60.9 380 381 A G < + 0 0 0 -3,-1.3 2,-0.4 -7,-0.2 -333,-0.1 -0.083 12.6 173.2 -39.3 111.9 48.8 17.8 61.4 381 382 A D > - 0 0 19 1,-0.1 4,-4.2 2,-0.0 5,-0.4 -0.981 33.1-145.2-135.5 121.8 48.8 15.5 58.4 382 383 A L H > S+ 0 0 39 -2,-0.4 4,-3.0 1,-0.2 5,-0.4 0.898 99.7 45.9 -48.4 -55.8 51.5 13.0 57.4 383 384 A A H > S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.910 122.9 35.4 -57.4 -47.4 51.2 13.4 53.6 384 385 A A H > S+ 0 0 50 2,-0.2 4,-2.5 3,-0.2 -2,-0.2 0.895 120.7 46.7 -75.5 -42.9 51.1 17.2 53.7 385 386 A N H X S+ 0 0 11 -4,-4.2 4,-2.2 2,-0.2 -3,-0.2 0.936 116.0 44.5 -66.3 -46.1 53.5 17.7 56.7 386 387 A N H X S+ 0 0 4 -4,-3.0 4,-2.7 -5,-0.4 5,-0.3 0.894 113.1 52.7 -64.6 -39.1 56.1 15.2 55.3 387 388 A G H X S+ 0 0 7 -4,-1.4 4,-1.8 -5,-0.4 -1,-0.2 0.930 109.1 50.1 -61.8 -43.5 55.6 16.8 51.9 388 389 A G H X S+ 0 0 29 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.895 114.9 42.0 -61.8 -42.3 56.3 20.2 53.4 389 390 A W H < S+ 0 0 1 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.813 111.4 52.8 -77.5 -31.1 59.4 19.1 55.1 390 391 A Q H >X>S+ 0 0 5 -4,-2.7 5,-2.3 1,-0.2 3,-1.4 0.871 107.8 57.7 -67.5 -33.0 60.8 17.0 52.3 391 392 A W H ><5S+ 0 0 80 -4,-1.8 3,-0.6 -5,-0.3 -2,-0.2 0.845 90.1 68.5 -63.0 -36.8 60.2 20.3 50.4 392 393 A S T 3<5S+ 0 0 0 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.531 120.2 20.5 -64.6 -2.2 62.5 22.3 52.7 393 394 A A T <45S- 0 0 3 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.317 100.8-120.0-144.2 3.1 65.4 20.3 51.2 394 395 A S T <<5S+ 0 0 24 -4,-0.7 -3,-0.2 -3,-0.6 -86,-0.1 0.872 71.6 136.3 52.7 36.5 64.0 19.0 47.9 395 396 A S < + 0 0 0 -5,-2.3 -90,-3.4 -6,-0.2 -91,-0.8 0.450 64.6 24.2 -93.0 -0.6 64.7 15.6 49.4 396 397 A G S S- 0 0 4 -6,-0.5 -9,-0.1 1,-0.4 -88,-0.0 0.026 109.0 -1.0-127.2-125.7 61.5 14.0 48.3 397 398 A M S S+ 0 0 21 1,-0.2 -1,-0.4 -2,-0.1 -250,-0.2 -0.236 118.6 14.0 -69.8 160.7 58.8 14.6 45.5 398 399 A D S S- 0 0 25 -252,-3.4 -1,-0.2 1,-0.1 -251,-0.1 0.853 86.0-159.0 39.2 56.2 59.0 17.4 43.0 399 400 A P - 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