==== 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 26-AUG-99 1C4K . COMPND 2 MOLECULE: PROTEIN (ORNITHINE DECARBOXYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS SP. 30A; . AUTHOR J.VITALI,M.L.HACKERT . 728 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 53 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 7 1 0 3 2 1 3 1 1 2 1 0 2 0 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 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 . 7 7 1 0 5 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 1 3 1 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 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 S 0 0 157 0, 0.0 2,-0.3 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0 -69.3 73.9 54.6 60.5 2 2 A S - 0 0 47 1,-0.1 97,-0.0 2,-0.1 0, 0.0 -0.737 360.0-177.8-100.7 144.2 70.6 53.2 59.3 3 3 A S + 0 0 76 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.443 42.3 121.6-117.3 -5.0 69.3 53.6 55.7 4 4 A L - 0 0 17 29,-0.1 29,-0.2 94,-0.1 2,-0.2 -0.414 48.9-148.7 -68.4 130.3 65.9 51.8 56.0 5 5 A K E -a 33 0A 58 27,-3.4 29,-4.7 -2,-0.2 30,-0.6 -0.513 10.5-123.3 -95.8 162.7 62.9 53.9 55.0 6 6 A I E -ab 35 23A 2 16,-1.4 18,-2.7 27,-0.2 2,-0.6 -0.926 18.6-153.1-108.9 125.8 59.3 53.7 56.4 7 7 A A E +ab 36 24A 0 28,-1.3 30,-2.1 -2,-0.5 2,-0.3 -0.887 23.7 167.8-102.0 116.3 56.6 53.2 53.8 8 8 A S E -a 37 0A 4 16,-2.8 18,-0.2 -2,-0.6 2,-0.2 -0.940 31.4-122.2-128.6 151.3 53.3 54.6 54.9 9 9 A T >> - 0 0 25 28,-1.4 4,-1.0 -2,-0.3 3,-0.9 -0.551 37.0-101.0 -86.9 156.7 50.0 55.2 53.1 10 10 A Q G >4 S+ 0 0 163 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.852 119.3 46.6 -40.9 -56.0 48.5 58.7 52.9 11 11 A E G 34 S+ 0 0 96 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.778 112.1 53.0 -63.5 -27.5 45.8 58.3 55.6 12 12 A A G X4 S+ 0 0 0 -3,-0.9 3,-1.2 1,-0.2 -1,-0.2 0.627 84.6 88.5 -85.3 -13.4 48.3 56.7 58.0 13 13 A R G X< S+ 0 0 74 -4,-1.0 3,-0.8 -3,-0.9 -1,-0.2 0.828 84.8 50.7 -53.3 -44.9 50.9 59.6 57.7 14 14 A Q G 3 S+ 0 0 171 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 -0.082 97.8 70.6 -90.0 35.5 49.6 61.8 60.5 15 15 A Y G < S+ 0 0 66 -3,-1.2 2,-0.3 -2,-0.1 -1,-0.2 0.363 96.0 40.4-127.2 -1.2 49.4 58.9 63.1 16 16 A F < - 0 0 9 -3,-0.8 2,-0.3 -4,-0.2 72,-0.1 -0.921 62.4-134.5-142.7 173.7 53.1 58.2 63.8 17 17 A D + 0 0 96 -2,-0.3 2,-0.1 70,-0.2 77,-0.1 -0.792 54.9 111.4-144.7 97.5 56.5 59.9 64.4 18 18 A T + 0 0 7 -2,-0.3 3,-0.2 3,-0.1 -12,-0.1 -0.625 22.6 145.1-160.7 68.3 59.8 58.7 62.8 19 19 A D + 0 0 82 1,-0.1 3,-0.1 -2,-0.1 -2,-0.0 -0.453 53.9 95.7-103.4 33.2 60.3 61.6 60.6 20 20 A R S S+ 0 0 180 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.657 89.0 34.2 -94.3 -38.1 63.9 60.7 61.6 21 21 A V S S- 0 0 42 -3,-0.2 -1,-0.2 1,-0.0 2,-0.2 -0.866 107.2 -78.1-122.0 157.9 64.1 58.7 58.4 22 22 A V - 0 0 95 -2,-0.3 -16,-1.4 -3,-0.1 2,-0.3 -0.305 44.9-156.5 -55.9 114.4 62.7 59.2 54.9 23 23 A V E +b 6 0A 35 -18,-0.2 2,-0.3 -2,-0.2 -16,-0.2 -0.726 17.9 179.6 -93.2 144.3 59.0 58.1 54.8 24 24 A D E -b 7 0A 43 -18,-2.7 -16,-2.8 -2,-0.3 2,-0.2 -0.829 25.0 -96.2-138.0 179.0 57.6 57.1 51.4 25 25 A A - 0 0 61 -2,-0.3 2,-0.7 -18,-0.2 3,-0.3 -0.471 39.8 -99.8 -94.0 168.2 54.4 55.9 49.7 26 26 A V S S+ 0 0 40 -18,-0.2 -16,-0.1 1,-0.2 -1,-0.0 -0.812 89.7 88.9 -99.3 114.5 53.4 52.4 48.8 27 27 A G S S+ 0 0 85 -2,-0.7 -1,-0.2 18,-0.0 2,-0.2 -0.034 71.7 125.4 176.8 15.4 53.9 51.4 45.2 28 28 A S S S- 0 0 31 -3,-0.3 -21,-0.0 1,-0.1 -2,-0.0 -0.492 74.7-123.7 -94.1 159.8 57.4 50.2 46.2 29 29 A D - 0 0 101 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.560 45.5-131.8 -74.9 -10.4 59.4 46.9 45.9 30 30 A F S S+ 0 0 7 1,-0.1 3,-0.3 24,-0.0 -1,-0.1 0.582 73.0 121.4 65.7 16.7 59.8 47.1 49.7 31 31 A T S S+ 0 0 90 1,-0.2 -1,-0.1 -27,-0.0 -27,-0.0 0.665 79.5 36.9 -81.6 -17.0 63.5 46.4 49.4 32 32 A D S S+ 0 0 49 -28,-0.1 -27,-3.4 0, 0.0 2,-0.4 0.265 95.3 113.4-115.7 10.0 64.5 49.7 51.2 33 33 A V E -a 5 0A 1 -3,-0.3 -27,-0.2 -29,-0.2 3,-0.1 -0.680 40.2-176.9 -89.9 134.2 61.6 49.6 53.7 34 34 A G E S+ 0 0 0 -29,-4.7 2,-0.3 -2,-0.4 -28,-0.2 0.901 75.4 2.1 -91.5 -47.7 62.0 49.2 57.4 35 35 A A E -a 6 0A 0 -30,-0.6 -28,-1.3 21,-0.1 2,-0.5 -0.995 62.5-142.8-147.0 134.4 58.4 49.2 58.6 36 36 A V E -ac 7 58A 0 21,-2.0 23,-2.9 -2,-0.3 2,-0.5 -0.867 16.5-169.9 -98.1 128.1 55.1 49.4 56.6 37 37 A I E +ac 8 59A 0 -30,-2.1 -28,-1.4 -2,-0.5 23,-0.2 -0.914 21.8 146.6-124.1 103.9 52.3 51.4 58.3 38 38 A A E - c 0 60A 0 21,-1.9 23,-2.4 -2,-0.5 2,-0.3 -0.482 45.7 -93.0-121.3-171.6 48.9 51.2 56.8 39 39 A M E > - c 0 61A 9 21,-0.2 3,-1.1 -2,-0.2 23,-0.2 -0.766 35.3-110.2-104.9 157.3 45.2 51.3 57.9 40 40 A D T 3 S+ 0 0 37 21,-2.3 29,-0.2 -2,-0.3 22,-0.1 0.831 120.4 46.3 -55.4 -33.9 43.1 48.2 58.8 41 41 A Y T 3 S+ 0 0 141 1,-0.2 2,-2.5 2,-0.1 3,-0.3 0.653 87.5 87.0 -83.1 -19.0 41.0 48.8 55.6 42 42 A E X> + 0 0 37 -3,-1.1 4,-1.2 1,-0.2 3,-1.2 -0.342 54.3 154.9 -79.8 59.4 44.0 49.4 53.4 43 43 A T H 3> + 0 0 56 -2,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.834 61.4 59.4 -57.4 -37.6 44.0 45.6 52.9 44 44 A D H 3> S+ 0 0 127 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.699 106.9 46.3 -70.6 -18.6 45.8 45.7 49.5 45 45 A V H <> S+ 0 0 25 -3,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.703 113.4 48.8 -90.0 -29.4 48.8 47.6 50.9 46 46 A I H X S+ 0 0 0 -4,-1.2 4,-1.4 -3,-0.2 -2,-0.2 0.833 112.8 49.2 -76.9 -35.0 49.0 45.1 53.9 47 47 A D H X S+ 0 0 49 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.784 108.0 54.7 -74.5 -30.0 48.7 42.3 51.4 48 48 A A H < S+ 0 0 37 -4,-0.7 4,-0.5 2,-0.2 -1,-0.2 0.740 109.2 44.8 -73.6 -34.5 51.5 43.7 49.1 49 49 A A H < S+ 0 0 3 -4,-0.9 3,-0.5 2,-0.2 5,-0.4 0.839 114.9 49.9 -78.3 -34.4 54.1 44.0 51.9 50 50 A D H >< S+ 0 0 52 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.846 100.7 64.2 -70.5 -39.3 53.2 40.5 53.1 51 51 A A T 3< S+ 0 0 50 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.739 92.6 61.9 -58.1 -28.0 53.5 39.0 49.5 52 52 A T T 3 S- 0 0 21 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.652 93.1-146.7 -75.0 -14.2 57.2 39.7 49.3 53 53 A K < + 0 0 103 -3,-1.5 362,-0.3 -4,-0.3 361,-0.2 0.601 57.7 130.6 55.6 19.0 57.8 37.4 52.3 54 54 A F S S- 0 0 53 -5,-0.4 361,-0.1 361,-0.1 -1,-0.1 0.815 73.7-119.8 -66.7 -34.0 60.7 39.6 53.4 55 55 A G + 0 0 41 -6,-0.3 -5,-0.1 1,-0.2 -1,-0.1 0.684 48.3 168.9 98.8 25.0 59.3 39.8 56.9 56 56 A I - 0 0 5 -7,-0.3 2,-0.3 1,-0.1 -1,-0.2 -0.471 41.8-108.3 -71.4 132.3 58.8 43.5 57.3 57 57 A P - 0 0 9 0, 0.0 -21,-2.0 0, 0.0 2,-0.6 -0.474 31.8-153.7 -66.3 123.3 56.7 44.6 60.3 58 58 A V E -c 36 0A 2 -2,-0.3 19,-3.4 17,-0.3 20,-1.5 -0.902 4.9-160.8-102.1 120.0 53.3 45.7 59.3 59 59 A F E -cd 37 78A 4 -23,-2.9 -21,-1.9 -2,-0.6 2,-0.6 -0.905 4.5-161.8-102.1 121.6 51.5 48.3 61.6 60 60 A A E -cd 38 79A 0 18,-2.0 20,-1.9 -2,-0.5 2,-0.5 -0.913 6.3-152.2-110.8 114.0 47.8 48.6 61.2 61 61 A V E -cd 39 80A 2 -23,-2.4 -21,-2.3 -2,-0.6 2,-0.3 -0.716 28.4-177.0 -80.7 128.1 46.1 51.7 62.6 62 62 A T E - d 0 81A 2 18,-1.9 20,-0.6 -2,-0.5 3,-0.2 -0.912 42.8-157.8-133.2 161.3 42.5 50.8 63.5 63 63 A K S S+ 0 0 170 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.755 100.5 21.1 -98.3 -35.5 39.2 52.1 64.8 64 64 A D + 0 0 76 1,-0.1 3,-0.5 17,-0.0 -1,-0.3 -0.886 60.7 178.4-140.3 102.9 37.9 48.7 65.9 65 65 A A S > S+ 0 0 26 -2,-0.4 3,-0.8 1,-0.2 -1,-0.1 0.782 84.7 60.8 -72.5 -32.1 40.5 46.0 66.5 66 66 A Q T 3 S+ 0 0 190 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.682 105.4 51.9 -69.0 -18.2 37.9 43.5 67.6 67 67 A A T 3 S+ 0 0 71 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.494 80.1 116.9 -97.8 -7.0 36.4 43.9 64.1 68 68 A I S < S- 0 0 20 -3,-0.8 5,-0.1 -4,-0.3 -27,-0.0 -0.316 75.4 -98.3 -64.6 145.5 39.5 43.2 62.0 69 69 A S > - 0 0 64 -29,-0.2 4,-1.1 1,-0.1 3,-0.1 -0.308 23.3-133.0 -63.7 143.8 39.5 40.2 59.7 70 70 A A H > S+ 0 0 85 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.853 104.7 53.3 -69.5 -34.9 41.2 37.1 61.0 71 71 A D H 4 S+ 0 0 124 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.786 108.3 51.0 -71.0 -24.6 43.1 36.4 57.8 72 72 A E H >> S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.742 97.7 67.3 -80.9 -27.5 44.5 39.9 57.8 73 73 A L H 3< S+ 0 0 74 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.706 91.8 61.7 -66.1 -21.6 45.7 39.6 61.4 74 74 A K T 3< S+ 0 0 192 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.797 109.2 42.7 -74.3 -27.3 48.3 37.0 60.3 75 75 A K T <4 S+ 0 0 40 -3,-0.8 -17,-0.3 -4,-0.3 2,-0.3 0.730 99.7 81.3 -87.5 -30.5 49.8 39.7 58.1 76 76 A I < - 0 0 11 -4,-1.4 -17,-0.2 1,-0.1 3,-0.1 -0.620 58.2-168.4 -77.9 137.6 49.6 42.6 60.6 77 77 A F + 0 0 107 -19,-3.4 2,-0.3 1,-0.4 -18,-0.2 0.903 68.1 6.5 -93.4 -49.3 52.5 42.6 63.1 78 78 A H E -d 59 0A 83 -20,-1.5 -18,-2.0 2,-0.0 2,-0.5 -0.966 67.8-132.5-134.6 151.3 51.3 45.2 65.7 79 79 A I E -d 60 0A 71 -2,-0.3 2,-0.9 -20,-0.2 -18,-0.2 -0.881 5.0-159.1-107.8 131.0 48.1 47.1 66.1 80 80 A I E -d 61 0A 11 -20,-1.9 -18,-1.9 -2,-0.5 2,-0.1 -0.913 28.2-160.4-107.1 98.9 48.1 50.9 66.8 81 81 A D E -d 62 0A 56 -2,-0.9 -18,-0.1 -20,-0.2 -17,-0.0 -0.402 24.8-155.0 -81.9 162.4 44.6 51.3 68.3 82 82 A L 0 0 69 -20,-0.6 4,-0.1 -2,-0.1 -1,-0.1 -0.449 360.0 360.0-130.3 52.0 42.5 54.4 68.7 83 83 A E 0 0 178 2,-0.1 -2,-0.1 -19,-0.0 -18,-0.0 -0.889 360.0 360.0-163.2 360.0 40.4 53.3 71.7 84 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 86 A F 0 0 209 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 149.0 46.6 57.0 73.0 86 87 A D + 0 0 87 -4,-0.1 2,-0.2 -6,-0.0 -70,-0.1 -0.967 360.0 129.0-114.2 98.5 48.3 58.6 70.0 87 88 A A S >> S- 0 0 38 -2,-0.7 3,-1.0 -72,-0.1 4,-0.6 -0.768 75.2 -77.2-141.4-167.8 51.7 59.2 71.5 88 89 A T T 34 S+ 0 0 90 1,-0.2 4,-0.4 -2,-0.2 -72,-0.0 0.438 115.0 72.3 -75.8 -2.9 55.5 59.0 71.5 89 90 A V T 3> S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.785 92.7 54.7 -81.9 -29.7 55.2 55.4 72.6 90 91 A N H <> S+ 0 0 26 -3,-1.0 4,-1.7 1,-0.2 -2,-0.2 0.842 104.0 56.2 -69.5 -33.1 54.0 54.5 69.1 91 92 A A H X S+ 0 0 17 -4,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.692 106.8 50.1 -70.1 -24.2 57.2 56.2 67.8 92 93 A R H > S+ 0 0 143 -4,-0.4 4,-2.7 -3,-0.4 5,-0.2 0.922 109.0 48.6 -79.3 -50.1 59.2 53.8 70.0 93 94 A E H X S+ 0 0 105 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.820 113.2 48.3 -57.0 -41.7 57.5 50.6 68.9 94 95 A I H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.811 113.9 46.4 -70.3 -33.9 57.9 51.5 65.2 95 96 A E H X S+ 0 0 63 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.855 113.0 49.0 -77.0 -37.1 61.6 52.4 65.7 96 97 A T H X S+ 0 0 65 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.791 110.4 52.1 -72.8 -28.8 62.3 49.2 67.6 97 98 A A H X S+ 0 0 11 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.906 109.0 49.4 -72.4 -42.6 60.5 47.2 64.9 98 99 A V H X S+ 0 0 8 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.860 114.6 46.4 -63.7 -36.6 62.7 48.8 62.3 99 100 A N H X S+ 0 0 68 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.873 111.3 48.6 -75.5 -39.4 65.8 48.0 64.4 100 101 A N H < S+ 0 0 110 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.794 113.0 50.7 -72.0 -23.5 64.8 44.4 65.1 101 102 A Y H X S+ 0 0 25 -4,-1.7 4,-2.4 2,-0.2 3,-0.3 0.864 109.2 48.4 -77.8 -44.6 64.1 43.9 61.4 102 103 A E H X S+ 0 0 25 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.826 108.1 55.8 -67.2 -28.1 67.5 45.4 60.3 103 104 A D H < S+ 0 0 105 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.752 110.8 48.2 -73.2 -24.5 69.2 43.1 62.8 104 105 A S H 4 S+ 0 0 93 -4,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.930 112.7 41.5 -81.3 -51.4 67.4 40.2 61.1 105 106 A I H < S+ 0 0 69 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.1 0.703 98.2 82.1 -74.6 -21.1 68.1 40.8 57.4 106 107 A L S < S- 0 0 26 -4,-1.4 300,-0.0 -5,-0.2 -1,-0.0 -0.783 79.8-135.7 -88.7 118.6 71.8 41.9 57.9 107 108 A P > - 0 0 8 0, 0.0 4,-1.7 0, 0.0 5,-0.2 -0.162 27.2 -93.2 -66.2 166.6 74.0 38.7 58.2 108 109 A P H > S+ 0 0 37 0, 0.0 4,-0.8 0, 0.0 66,-0.1 0.778 114.3 33.7 -51.2 -46.8 76.8 38.3 60.8 109 110 A F H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.1 5,-0.1 0.813 117.2 50.6 -84.0 -36.8 80.0 39.5 59.0 110 111 A F H > S+ 0 0 67 2,-0.2 4,-2.2 292,-0.2 5,-0.2 0.873 105.8 58.2 -66.9 -37.7 78.6 42.2 56.8 111 112 A K H X S+ 0 0 68 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.911 110.7 42.9 -57.5 -44.0 76.8 43.7 59.9 112 113 A S H X S+ 0 0 33 -4,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.801 111.5 53.3 -72.2 -37.4 80.3 44.1 61.7 113 114 A L H X S+ 0 0 9 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.880 108.4 51.3 -65.5 -38.1 82.1 45.4 58.6 114 115 A K H X S+ 0 0 65 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.888 113.6 44.7 -65.3 -39.4 79.4 48.1 58.2 115 116 A E H < S+ 0 0 111 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.892 111.6 51.1 -71.9 -45.0 79.8 49.1 61.9 116 117 A Y H >< S+ 0 0 23 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.844 109.1 50.7 -60.3 -41.5 83.7 49.1 61.8 117 118 A V H 3< S+ 0 0 23 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.794 98.1 69.2 -68.7 -28.2 83.8 51.3 58.7 118 119 A S T 3< S+ 0 0 88 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.594 89.5 81.1 -66.0 -14.5 81.4 53.7 60.5 119 120 A R S < S- 0 0 99 -3,-1.1 2,-0.9 -4,-0.3 -3,-0.0 -0.465 85.4-122.2 -89.5 164.6 84.2 54.6 62.9 120 121 A Y + 0 0 201 -2,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.908 45.2 169.8-108.5 94.6 87.1 57.1 62.2 121 122 A L - 0 0 72 -2,-0.9 2,-0.9 -4,-0.1 -2,-0.0 -0.971 34.6-133.5-114.7 128.9 90.0 54.8 62.7 122 123 A I - 0 0 126 -2,-0.5 2,-0.4 2,-0.0 9,-0.1 -0.732 26.6-149.7 -82.8 103.8 93.6 55.8 61.7 123 124 A Q + 0 0 44 -2,-0.9 -1,-0.0 1,-0.1 -2,-0.0 -0.665 35.2 157.3 -82.0 122.7 94.9 52.8 59.8 124 125 A F + 0 0 182 -2,-0.4 -1,-0.1 2,-0.1 2,-0.1 0.112 59.8 76.9-124.8 9.6 98.7 52.1 60.1 125 126 A D S S- 0 0 34 1,-0.2 5,-0.2 2,-0.1 -2,-0.0 -0.055 83.4 -16.6-102.7-157.4 98.4 48.4 59.2 126 127 A C S S+ 0 0 80 3,-0.1 32,-0.2 -2,-0.1 -1,-0.2 -0.684 101.6 55.6 -89.9 145.7 97.8 46.3 56.0 127 128 A P S > S- 0 0 31 0, 0.0 3,-2.3 0, 0.0 4,-0.1 0.551 76.5-143.2 -76.5 149.4 96.8 47.1 53.2 128 129 A G T 3 S+ 0 0 55 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.688 95.0 70.0 -54.9 -24.3 99.3 49.8 52.6 129 130 A H T 3>>S- 0 0 22 4,-0.1 4,-1.3 5,-0.1 5,-1.0 0.703 89.8-156.3 -68.5 -17.5 96.9 52.0 50.7 130 131 A Q T X45S- 0 0 66 -3,-2.3 3,-0.9 1,-0.2 -2,-0.1 0.906 72.2 -16.3 39.9 78.9 95.2 52.5 54.1 131 132 A G T 345S- 0 0 14 22,-0.6 23,-0.2 25,-0.4 -1,-0.2 0.750 120.4 -69.3 73.7 24.4 91.7 53.5 53.4 132 133 A G T 3>5S+ 0 0 0 21,-0.4 4,-1.3 -5,-0.1 -1,-0.2 0.625 99.0 132.6 68.6 17.6 92.7 54.3 49.8 133 134 A Q T <<5 + 0 0 91 -4,-1.3 -3,-0.2 -3,-0.9 -2,-0.1 0.618 67.9 55.0 -75.2 -11.7 94.7 57.3 50.8 134 135 A Y T >44 S+ 0 0 83 1,-0.3 3,-1.4 -6,-0.2 -2,-0.2 0.909 100.9 56.2 -58.2 -42.8 95.5 56.1 45.6 136 137 A R G 3< S+ 0 0 99 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.226 96.9 66.5 -79.3 20.1 94.3 59.7 46.0 137 138 A K G < S+ 0 0 182 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.400 99.7 51.5-112.6 -8.0 97.9 61.0 46.0 138 139 A H S <> S- 0 0 119 -3,-1.4 4,-2.2 -4,-0.2 5,-0.2 -0.979 82.1-126.3-130.6 143.5 98.6 60.1 42.3 139 140 A P H > S+ 0 0 101 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.846 110.0 48.6 -59.9 -36.2 96.6 60.9 39.2 140 141 A A H > S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 -5,-0.1 0.910 116.5 43.0 -70.0 -40.9 96.3 57.3 38.0 141 142 A G H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.762 108.2 58.7 -73.3 -30.7 95.2 56.1 41.5 142 143 A R H X S+ 0 0 108 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.843 105.6 50.3 -66.7 -32.4 92.9 59.1 41.9 143 144 A E H X S+ 0 0 148 -4,-1.2 4,-0.8 -5,-0.2 -1,-0.2 0.760 112.4 48.1 -73.9 -30.6 91.0 57.9 38.8 144 145 A F H X S+ 0 0 89 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.868 111.5 48.8 -76.5 -40.2 90.9 54.4 40.4 145 146 A Y H X S+ 0 0 14 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.959 113.9 45.6 -63.7 -52.7 89.6 55.8 43.7 146 147 A D H < S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.694 108.9 56.8 -64.7 -24.5 86.9 57.9 42.1 147 148 A F H < S+ 0 0 168 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.896 120.1 27.7 -75.4 -42.7 85.8 55.1 39.8 148 149 A F H < S- 0 0 115 -4,-1.7 4,-0.2 1,-0.1 -2,-0.2 0.784 107.7-125.9 -92.6 -26.3 85.1 52.7 42.7 149 150 A G < - 0 0 29 -4,-3.1 4,-0.4 -5,-0.2 3,-0.3 -0.138 28.6 -75.4 99.6 161.0 84.2 55.0 45.6 150 151 A E S >> S+ 0 0 108 1,-0.2 4,-1.4 2,-0.1 3,-0.9 0.850 116.5 63.8 -61.3 -42.5 85.6 55.5 49.1 151 152 A T H 3> S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.803 92.3 57.2 -55.2 -43.9 83.9 52.4 50.7 152 153 A V H 34 S+ 0 0 51 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.755 114.2 42.9 -63.6 -22.4 85.6 49.5 48.8 153 154 A F H <4 S+ 0 0 10 -3,-0.9 -22,-0.6 -4,-0.4 -21,-0.4 0.752 113.5 51.2 -90.4 -31.8 88.9 50.9 50.0 154 155 A R H < S+ 0 0 86 -4,-1.4 -2,-0.2 -23,-0.2 -3,-0.2 0.710 109.3 50.1 -76.2 -29.5 87.7 51.6 53.5 155 156 A A S < S+ 0 0 9 -4,-2.0 2,-1.4 -5,-0.2 -1,-0.2 0.560 84.0 100.8 -85.3 -10.8 86.3 48.1 53.9 156 157 A D + 0 0 34 -5,-0.2 -25,-0.4 -3,-0.1 2,-0.2 -0.641 55.9 143.7 -79.6 92.0 89.7 46.6 52.7 157 158 A L - 0 0 10 -2,-1.4 241,-0.4 239,-0.1 2,-0.2 -0.537 32.7-147.2-119.9-172.9 91.1 45.6 56.1 158 159 A C > - 0 0 21 -32,-0.2 3,-2.0 -2,-0.2 6,-0.2 -0.820 43.0 -68.8-146.0-172.6 93.2 42.7 57.7 159 160 A N T 3 S+ 0 0 59 1,-0.3 6,-0.1 235,-0.2 5,-0.1 0.730 118.4 70.5 -54.9 -31.4 93.8 40.6 60.8 160 161 A A T 3 S+ 0 0 66 1,-0.3 2,-0.6 -34,-0.1 -1,-0.3 0.484 84.4 71.6 -65.3 -7.8 95.2 43.6 62.7 161 162 A D S X S+ 0 0 6 -3,-2.0 3,-1.8 1,-0.1 -1,-0.3 -0.633 73.6 177.8-107.2 63.9 91.6 44.9 62.8 162 163 A V G > + 0 0 118 -2,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.572 59.7 80.9 -45.9 -20.9 90.9 42.2 65.3 163 164 A A G 3 S+ 0 0 53 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.736 87.4 58.1 -63.0 -24.7 87.2 43.2 65.8 164 165 A L G < S- 0 0 1 -3,-1.8 10,-0.4 1,-0.3 2,-0.3 0.455 107.3-125.6 -86.5 0.5 86.2 41.4 62.6 165 166 A G < - 0 0 14 -3,-1.5 2,-0.4 8,-0.2 7,-0.3 -0.687 34.8 -56.1 95.2-156.7 87.5 38.0 63.7 166 167 A D B > -E 171 0B 34 5,-2.6 5,-1.8 -2,-0.3 9,-0.1 -0.974 34.1-167.3-133.7 120.4 89.9 35.5 62.0 167 168 A L T 5S+ 0 0 0 -2,-0.4 25,-0.1 3,-0.2 -1,-0.1 0.568 85.7 43.4 -85.6 -8.5 89.2 34.3 58.5 168 169 A L T 5S+ 0 0 16 226,-0.1 -1,-0.1 1,-0.1 221,-0.1 0.851 123.6 28.6-101.9 -53.5 91.8 31.5 58.5 169 170 A I T 5S- 0 0 98 2,-0.0 -2,-0.1 220,-0.0 -1,-0.1 0.059 114.2-117.4 -95.4 19.5 91.5 29.7 61.9 170 171 A H T 5 + 0 0 17 1,-0.1 2,-0.3 4,-0.0 -3,-0.2 0.848 55.7 148.2 43.4 79.2 87.8 30.8 61.9 171 172 A E B > < +E 166 0B 106 -5,-1.8 -5,-2.6 4,-0.0 3,-1.0 -0.860 42.1 2.3-134.1 160.0 87.0 33.1 64.9 172 173 A G T 3> S- 0 0 44 -2,-0.3 4,-1.1 -7,-0.3 3,-0.5 -0.329 122.2 -16.1 69.2-147.9 84.7 36.0 65.7 173 174 A P H 3> S+ 0 0 29 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.686 130.9 69.1 -63.6 -19.1 82.1 37.4 63.2 174 175 A A H <> S+ 0 0 0 -3,-1.0 4,-1.3 -10,-0.4 -2,-0.2 0.926 104.7 37.2 -65.4 -47.1 84.0 35.5 60.4 175 176 A V H > S+ 0 0 38 -3,-0.5 4,-1.7 -4,-0.2 -1,-0.2 0.697 110.6 62.7 -77.0 -24.6 83.0 32.0 61.8 176 177 A A H X S+ 0 0 38 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.886 103.7 49.4 -65.7 -39.3 79.5 33.3 62.7 177 178 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 3,-0.3 0.934 112.9 45.7 -63.9 -47.5 79.0 34.0 59.0 178 179 A E H X S+ 0 0 8 -4,-1.3 4,-1.5 1,-0.2 12,-0.3 0.737 110.7 53.0 -67.7 -29.4 80.1 30.5 58.0 179 180 A K H X S+ 0 0 105 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.765 109.2 51.0 -77.7 -24.4 78.0 28.9 60.8 180 181 A H H >X S+ 0 0 34 -4,-1.3 4,-1.6 -3,-0.3 3,-0.6 0.885 110.3 47.1 -75.9 -45.9 75.0 30.8 59.5 181 182 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.849 106.8 59.6 -62.7 -35.1 75.6 29.6 55.9 182 183 A A H 3<>S+ 0 0 2 -4,-1.5 5,-2.5 1,-0.2 -1,-0.2 0.739 107.9 44.6 -66.2 -25.3 76.0 26.1 57.2 183 184 A R H <<5S+ 0 0 139 -3,-0.6 3,-0.5 -4,-0.5 -1,-0.2 0.785 111.6 52.9 -85.6 -35.8 72.5 26.3 58.6 184 185 A V H <5S+ 0 0 18 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.791 116.0 39.5 -68.2 -33.4 71.1 27.8 55.5 185 186 A Y T <5S- 0 0 0 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.331 109.8-117.9-101.5 9.0 72.6 25.0 53.4 186 187 A N T 5 + 0 0 81 -3,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.882 68.8 133.1 56.6 46.1 71.8 22.1 55.8 187 188 A A < - 0 0 8 -5,-2.5 181,-0.2 -6,-0.1 -1,-0.2 -0.851 64.7-126.6-123.6 161.4 75.5 21.2 56.3 188 189 A D S S+ 0 0 46 179,-1.8 2,-0.3 -2,-0.3 180,-0.2 0.978 92.6 2.2 -69.5 -57.0 77.8 20.5 59.2 189 190 A K E -F 367 0C 92 178,-1.5 178,-3.3 -8,-0.1 2,-0.4 -0.978 62.6-151.8-136.8 148.2 80.4 23.1 58.3 190 191 A T E -F 366 0C 7 -2,-0.3 2,-0.5 -12,-0.3 176,-0.2 -0.977 5.5-160.6-122.7 129.5 80.9 25.7 55.6 191 192 A Y E -F 365 0C 3 174,-2.3 174,-2.3 -2,-0.4 2,-0.7 -0.923 12.7-143.5-111.9 122.7 84.2 27.0 54.3 192 193 A F E -F 364 0C 0 -2,-0.5 2,-0.5 172,-0.2 172,-0.2 -0.808 18.9-164.8 -87.8 113.6 84.3 30.4 52.5 193 194 A V E -F 363 0C 7 170,-2.4 170,-2.6 -2,-0.7 3,-0.3 -0.888 15.1-171.3-102.7 129.8 86.9 30.2 49.6 194 195 A L S S+ 0 0 14 -2,-0.5 -1,-0.1 168,-0.2 3,-0.1 0.256 77.3 69.6-103.5 13.5 88.1 33.4 48.0 195 196 A G S > S- 0 0 18 1,-0.4 4,-1.6 168,-0.0 3,-0.4 -0.210 106.5-107.2-120.2 35.1 90.0 31.7 45.2 196 197 A G H >> - 0 0 6 165,-2.8 4,-1.3 -3,-0.3 3,-0.6 0.143 51.0 -59.8 62.9 174.7 87.0 30.4 43.2 197 198 A S H 3> S+ 0 0 8 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.538 130.4 72.7 -68.1 -4.3 85.8 26.8 43.0 198 199 A S H 3> S+ 0 0 53 -3,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.936 105.3 33.6 -73.7 -48.0 89.3 26.1 41.5 199 200 A N H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 3,-0.5 0.928 118.7 38.6 -52.7 -54.6 88.8 19.2 49.0 205 206 A T H 3X S+ 0 0 0 -4,-1.6 4,-3.3 1,-0.2 3,-0.2 0.877 113.0 53.8 -69.8 -36.8 91.0 16.8 47.1 206 207 A S H 3< S+ 0 0 40 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.630 109.5 51.7 -73.8 -11.3 94.4 17.8 48.8 207 208 A A H << S+ 0 0 23 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.771 124.8 23.4 -92.5 -28.9 92.7 17.1 52.2 208 209 A L H < S+ 0 0 6 -4,-1.1 2,-0.6 -3,-0.2 -2,-0.2 0.727 102.7 82.1-108.9 -32.0 91.4 13.7 51.2 209 210 A V < - 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