==== 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 HYDROLASE 25-JUN-07 2V3X . COMPND 2 MOLECULE: XAA-PRO AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.C.GRAHAM,J.M.GUSS . 443 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 12.9 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 0 0 1 2 0 3 0 0 1 0 2 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 3 3 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 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 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 86 0, 0.0 2,-0.3 0, 0.0 178,-0.0 0.000 360.0 360.0 360.0 139.6 80.3 64.0 42.8 2 2 A E - 0 0 123 264,-0.0 2,-0.5 0, 0.0 181,-0.1 -0.901 360.0 -96.5-146.2 178.0 77.8 66.8 43.7 3 3 A I - 0 0 15 -2,-0.3 2,-0.1 263,-0.1 263,-0.0 -0.945 45.1-146.2-103.0 129.9 75.1 68.9 42.2 4 4 A S >> - 0 0 48 -2,-0.5 4,-2.0 1,-0.1 3,-0.8 -0.437 25.2-102.6 -96.0 160.9 76.4 72.4 41.2 5 5 A R H 3> S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 120.1 55.8 -44.2 -45.3 74.9 75.9 41.1 6 6 A Q H 3> S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 106.0 50.1 -67.3 -31.8 74.4 75.7 37.4 7 7 A E H <> S+ 0 0 6 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.902 108.6 51.4 -71.2 -42.7 72.3 72.5 37.7 8 8 A F H X S+ 0 0 14 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.936 111.7 49.4 -56.2 -43.1 70.1 74.1 40.4 9 9 A Q H X S+ 0 0 63 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.907 108.0 52.4 -61.7 -44.0 69.6 77.0 38.0 10 10 A R H X S+ 0 0 136 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.897 108.8 51.5 -59.1 -40.0 68.7 74.7 35.1 11 11 A R H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.932 108.9 49.4 -62.1 -47.6 66.1 73.0 37.3 12 12 A R H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.936 112.6 48.7 -56.5 -45.1 64.6 76.4 38.2 13 13 A Q H X S+ 0 0 90 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.872 107.7 54.1 -63.8 -37.8 64.5 77.3 34.5 14 14 A A H X S+ 0 0 39 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.851 110.2 47.4 -63.4 -38.4 62.9 73.9 33.6 15 15 A L H >X S+ 0 0 4 -4,-2.1 4,-0.9 2,-0.2 3,-0.9 0.938 110.0 52.2 -65.3 -47.0 60.1 74.7 36.1 16 16 A V H >< S+ 0 0 6 -4,-2.5 3,-0.9 1,-0.3 -2,-0.2 0.889 103.1 59.3 -58.2 -37.8 59.7 78.2 34.7 17 17 A E H 3< S+ 0 0 145 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.851 107.7 46.4 -58.7 -34.7 59.3 76.6 31.2 18 18 A Q H << S+ 0 0 92 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.613 96.2 96.7 -82.9 -15.2 56.3 74.7 32.5 19 19 A M S << S- 0 0 8 -4,-0.9 3,-0.1 -3,-0.9 4,-0.1 -0.408 79.4-109.8 -78.0 150.3 54.7 77.6 34.2 20 20 A Q - 0 0 98 -2,-0.1 3,-0.3 1,-0.1 46,-0.2 -0.449 42.0 -97.5 -68.6 148.3 51.9 79.8 32.7 21 21 A P S S+ 0 0 54 0, 0.0 46,-0.2 0, 0.0 47,-0.2 -0.424 110.6 35.6 -63.4 146.5 52.8 83.4 31.8 22 22 A G S S+ 0 0 12 44,-1.6 103,-2.6 1,-0.3 104,-1.6 0.928 98.9 116.6 73.6 51.0 51.9 85.8 34.5 23 23 A S E -Ab 66 126A 0 43,-2.1 43,-3.1 -3,-0.3 2,-0.4 -0.935 49.6-150.7-145.6 161.7 52.6 83.5 37.4 24 24 A A E -Ab 65 127A 0 102,-1.6 104,-3.1 -2,-0.3 2,-0.4 -0.998 9.2-150.0-135.6 139.3 54.8 82.9 40.4 25 25 A A E -Ab 64 128A 0 39,-2.4 39,-2.4 -2,-0.4 2,-0.5 -0.929 11.0-158.1-106.9 134.8 56.0 79.7 42.0 26 26 A L E -A 63 0A 1 102,-2.7 104,-0.5 -2,-0.4 2,-0.5 -0.948 10.1-178.3-117.3 120.5 56.7 79.6 45.8 27 27 A I E -A 62 0A 0 35,-2.7 35,-3.0 -2,-0.5 2,-0.3 -0.980 13.3-156.1-125.2 118.7 59.0 77.0 47.3 28 28 A F E -A 61 0A 12 -2,-0.5 21,-0.3 33,-0.2 33,-0.2 -0.749 12.3-122.2-102.4 143.3 59.4 77.0 51.1 29 29 A A - 0 0 0 31,-2.7 30,-0.1 -2,-0.3 16,-0.1 -0.316 38.8 -94.1 -71.8 158.0 62.3 75.7 53.3 30 30 A A - 0 0 7 27,-0.1 29,-0.3 1,-0.1 2,-0.1 -0.404 40.4-114.6 -67.7 144.6 61.7 73.1 56.0 31 31 A P - 0 0 56 0, 0.0 13,-0.3 0, 0.0 2,-0.1 -0.484 32.9-101.6 -70.4 152.8 61.1 74.4 59.5 32 32 A E - 0 0 82 -2,-0.1 2,-0.4 11,-0.1 11,-0.0 -0.486 41.1-138.9 -64.7 152.1 63.6 73.6 62.3 33 33 A V - 0 0 83 8,-0.3 8,-2.4 -2,-0.1 2,-0.2 -0.973 5.6-125.9-127.7 125.9 62.4 70.7 64.5 34 34 A T E -F 40 0B 93 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.480 21.2-179.6 -69.0 136.6 62.6 70.4 68.3 35 35 A R E S- 0 0 163 4,-2.8 2,-0.3 1,-0.3 5,-0.2 0.822 74.5 -19.0 -94.6 -56.6 64.2 67.3 69.7 36 36 A S E > S-F 39 0B 71 3,-1.6 3,-2.8 1,-0.1 -1,-0.3 -0.887 107.3 -45.4-155.7 126.5 63.8 68.1 73.4 37 37 A A T 3 S- 0 0 85 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 -0.288 127.5 -9.4 57.7-123.0 63.1 71.4 75.1 38 38 A D T 3 S+ 0 0 156 -4,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.405 115.4 97.6 -89.8 6.0 65.5 74.0 73.5 39 39 A S E < -F 36 0B 50 -3,-2.8 -4,-2.8 -5,-0.0 -3,-1.6 -0.761 58.8-155.3 -98.6 139.5 67.5 71.4 71.5 40 40 A E E -F 34 0B 97 -2,-0.4 -6,-0.2 -6,-0.3 3,-0.1 -0.749 19.9-108.8-109.2 155.1 66.8 70.8 67.9 41 41 A Y - 0 0 120 -8,-2.4 -8,-0.3 -2,-0.3 3,-0.1 -0.449 56.7 -79.6 -68.2 155.7 67.4 67.9 65.6 42 42 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.382 64.0 -97.7 -57.2 136.7 70.1 68.3 62.9 43 43 A Y - 0 0 44 -3,-0.1 2,-0.5 13,-0.1 -11,-0.1 -0.321 37.9-170.0 -68.1 136.1 68.5 70.3 60.2 44 44 A R - 0 0 90 -13,-0.3 3,-0.1 -3,-0.1 2,-0.0 -0.981 19.3-135.7-125.7 115.6 67.1 68.6 57.1 45 45 A Q - 0 0 3 -2,-0.5 2,-0.1 1,-0.1 -16,-0.1 -0.344 32.7 -94.2 -66.5 147.0 66.1 70.8 54.2 46 46 A N > - 0 0 14 1,-0.1 4,-2.9 -18,-0.1 5,-0.2 -0.422 35.0-129.8 -57.0 134.9 62.9 70.1 52.4 47 47 A S H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.873 105.3 47.4 -63.4 -41.9 63.7 67.9 49.4 48 48 A D H > S+ 0 0 6 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.918 113.7 47.5 -67.1 -41.0 61.9 70.1 46.8 49 49 A F H > S+ 0 0 0 -21,-0.3 4,-0.7 1,-0.2 3,-0.4 0.939 113.8 48.5 -62.4 -44.5 63.4 73.3 48.2 50 50 A W H >X S+ 0 0 54 -4,-2.9 4,-2.5 1,-0.2 3,-1.4 0.927 104.4 60.4 -57.5 -47.2 66.8 71.6 48.1 51 51 A Y H 3< S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.809 113.1 36.8 -53.0 -35.8 66.2 70.4 44.6 52 52 A F H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.462 134.3 16.8 -96.6 -3.7 65.9 74.0 43.3 53 53 A T H << - 0 0 5 -3,-1.4 -3,-0.2 -4,-0.7 -2,-0.2 0.620 68.9-140.4-136.3 -34.5 68.6 75.7 45.5 54 54 A G < + 0 0 23 -4,-2.5 2,-0.5 -5,-0.3 -4,-0.1 0.791 59.1 141.5 58.4 28.7 71.2 73.5 47.3 55 55 A F - 0 0 12 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.907 39.9-164.0-111.0 121.6 70.6 75.9 50.2 56 56 A N + 0 0 91 -2,-0.5 -13,-0.1 -3,-0.1 -1,-0.1 -0.161 50.1 104.2-104.4 37.3 70.6 74.4 53.7 57 57 A E - 0 0 26 -2,-0.0 3,-0.1 -13,-0.0 -27,-0.1 -0.909 60.4-131.6-115.3 149.0 69.0 77.1 55.8 58 58 A P S S+ 0 0 11 0, 0.0 21,-0.4 0, 0.0 3,-0.1 -0.227 85.0 50.2 -79.1 176.5 65.5 77.4 57.4 59 59 A E S S+ 0 0 83 -29,-0.3 2,-0.3 1,-0.2 51,-0.2 0.942 85.0 125.6 53.9 54.6 63.4 80.6 57.0 60 60 A A - 0 0 0 18,-0.2 -31,-2.7 -3,-0.1 2,-0.4 -0.992 38.3-172.7-143.0 144.1 64.0 80.8 53.3 61 61 A V E -AC 28 77A 0 16,-2.2 16,-2.8 -2,-0.3 2,-0.5 -0.990 13.2-149.0-141.0 127.2 61.5 81.0 50.4 62 62 A L E -AC 27 76A 0 -35,-3.0 -35,-2.7 -2,-0.4 2,-0.5 -0.875 14.2-168.1 -98.8 128.9 62.3 80.8 46.6 63 63 A V E -AC 26 75A 0 12,-3.0 12,-2.7 -2,-0.5 2,-0.6 -0.980 3.8-167.0-119.7 117.6 60.0 82.8 44.4 64 64 A L E -AC 25 74A 3 -39,-2.4 -39,-2.4 -2,-0.5 2,-0.5 -0.943 8.9-162.9-106.8 118.3 60.1 82.2 40.6 65 65 A I E -AC 24 73A 8 8,-3.2 8,-2.3 -2,-0.6 2,-0.8 -0.907 11.8-170.5-108.1 122.1 58.3 84.9 38.7 66 66 A K E +AC 23 72A 14 -43,-3.1 -43,-2.1 -2,-0.5 -44,-1.6 -0.891 7.4 178.1-110.0 96.5 57.3 84.3 35.1 67 67 A S - 0 0 64 4,-1.3 2,-0.3 -2,-0.8 -1,-0.2 0.877 67.3 -30.8 -70.8 -38.6 56.1 87.7 34.0 68 68 A D S S- 0 0 65 3,-1.6 -1,-0.2 -47,-0.2 -45,-0.1 -0.880 86.8 -64.2-160.7-168.3 55.4 86.6 30.4 69 69 A D S S+ 0 0 119 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.627 130.3 25.9 -72.5 -13.3 56.8 84.0 28.0 70 70 A T S S+ 0 0 112 1,-0.1 2,-0.5 -4,-0.0 -1,-0.2 0.642 111.5 69.4-113.4 -24.7 60.3 85.5 27.6 71 71 A H + 0 0 116 2,-0.0 -3,-1.6 -5,-0.0 -4,-1.3 -0.851 54.2 143.3-107.6 126.0 60.8 87.4 30.9 72 72 A N E +C 66 0A 53 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.978 16.1 178.8-150.9 158.0 61.3 85.7 34.2 73 73 A H E -C 65 0A 56 -8,-2.3 -8,-3.2 -2,-0.3 2,-0.4 -0.970 19.7-124.6-156.8 167.3 63.3 86.2 37.4 74 74 A S E -C 64 0A 9 -2,-0.3 32,-1.3 -10,-0.2 31,-0.5 -0.944 13.6-169.5-122.0 142.8 64.0 84.8 40.8 75 75 A V E -Cd 63 106A 0 -12,-2.7 -12,-3.0 -2,-0.4 2,-0.5 -0.999 7.3-159.5-128.4 131.8 63.8 86.2 44.3 76 76 A L E -Cd 62 107A 0 30,-2.3 32,-2.8 -2,-0.4 2,-0.5 -0.950 3.4-158.9-108.7 129.4 65.1 84.5 47.5 77 77 A F E +Cd 61 108A 0 -16,-2.8 -16,-2.2 -2,-0.5 2,-0.3 -0.928 32.5 151.5 -96.1 131.5 63.9 85.4 51.0 78 78 A N E - d 0 109A 0 30,-2.1 32,-2.2 -2,-0.5 33,-0.3 -0.956 48.9 -67.1-154.7 165.8 66.4 84.3 53.5 79 79 A R - 0 0 44 -21,-0.4 15,-0.6 -2,-0.3 3,-0.1 -0.366 52.3-119.8 -62.3 138.1 67.8 85.2 57.0 80 80 A V - 0 0 60 14,-0.1 2,-0.2 1,-0.1 14,-0.1 -0.329 32.8 -92.7 -68.5 151.8 69.6 88.4 57.3 81 81 A R + 0 0 133 12,-0.1 2,-0.3 4,-0.0 -1,-0.1 -0.469 50.7 174.5 -54.0 134.7 73.2 88.7 58.4 82 82 A D > - 0 0 68 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.840 26.4-151.9-154.7 111.0 73.2 89.2 62.2 83 83 A L H > S+ 0 0 137 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.884 95.4 44.4 -54.7 -47.7 76.4 89.3 64.2 84 84 A T H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 114.2 47.3 -68.0 -46.1 74.9 88.1 67.5 85 85 A A H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.863 115.1 49.0 -60.8 -35.1 72.8 85.3 66.0 86 86 A E H X S+ 0 0 23 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.905 105.6 54.0 -76.2 -42.1 75.8 84.2 64.0 87 87 A I H < S+ 0 0 125 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.857 120.7 36.1 -53.5 -37.3 78.3 84.2 66.9 88 88 A W H < S+ 0 0 186 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.948 133.5 15.0 -81.2 -50.7 75.9 81.9 68.7 89 89 A F H < S- 0 0 174 -4,-2.8 -3,-0.2 1,-0.3 2,-0.2 0.497 110.6 -82.4-117.1 -10.0 74.3 79.6 66.1 90 90 A G < - 0 0 35 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.1 -0.432 54.9 -49.4 124.1 166.5 76.4 79.8 62.9 91 91 A R - 0 0 225 -2,-0.2 2,-0.4 -4,-0.1 3,-0.1 -0.245 44.1-150.9 -74.0 154.2 77.0 81.8 59.8 92 92 A R - 0 0 49 1,-0.1 -10,-0.1 -35,-0.0 -1,-0.0 -0.952 16.6-135.3-124.0 146.0 74.2 82.9 57.5 93 93 A L > - 0 0 32 -2,-0.4 4,-0.6 1,-0.1 -1,-0.1 0.938 43.3-172.7 -63.9 -48.1 74.4 83.5 53.8 94 94 A G H > - 0 0 0 -15,-0.6 4,-0.6 1,-0.1 -14,-0.1 -0.126 37.4 -70.3 77.0-175.8 72.5 86.8 54.0 95 95 A Q H 4 S+ 0 0 34 2,-0.2 -1,-0.1 1,-0.1 12,-0.1 0.811 120.2 57.3 -88.3 -34.8 71.3 89.0 51.1 96 96 A D H 4 S+ 0 0 158 1,-0.2 4,-0.4 2,-0.1 -1,-0.1 0.913 115.2 35.6 -64.5 -42.6 74.4 90.5 49.7 97 97 A A H X S+ 0 0 45 -4,-0.6 4,-2.3 1,-0.2 5,-0.2 0.624 99.3 81.4 -85.8 -19.1 76.1 87.1 48.9 98 98 A A H X>S+ 0 0 0 -4,-0.6 4,-2.7 1,-0.2 5,-0.6 0.875 83.5 56.0 -64.2 -44.8 73.0 85.1 47.9 99 99 A P H >>S+ 0 0 37 0, 0.0 4,-1.6 0, 0.0 5,-0.6 0.944 117.1 35.8 -55.9 -45.5 72.5 86.2 44.3 100 100 A E H 45S+ 0 0 133 -4,-0.4 -2,-0.2 2,-0.2 -3,-0.1 0.910 119.8 48.8 -71.5 -42.8 76.1 85.2 43.3 101 101 A K H <5S+ 0 0 128 -4,-2.3 -3,-0.2 1,-0.2 -1,-0.2 0.909 127.2 23.3 -64.3 -46.9 76.3 82.1 45.5 102 102 A L H <5S- 0 0 15 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.610 102.8-119.5 -96.4 -18.6 72.9 80.6 44.5 103 103 A G T << + 0 0 14 -4,-1.6 2,-0.3 -5,-0.6 -3,-0.2 0.829 63.3 139.6 78.0 33.2 72.4 82.2 41.1 104 104 A V < - 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0 0 29 -5,-2.2 2,-0.3 -8,-0.1 -1,-0.2 -0.739 26.4-173.6 -99.6 147.4 45.8 95.3 44.2 157 157 A T - 0 0 81 -2,-0.3 -34,-2.2 -7,-0.0 -33,-0.3 -0.997 15.3-136.7-141.2 141.1 44.5 92.1 42.7 158 158 A A - 0 0 26 -2,-0.3 2,-0.3 -36,-0.2 -36,-0.1 -0.724 29.3-105.7 -93.0 145.3 45.1 88.4 43.7 159 159 A P - 0 0 4 0, 0.0 -34,-0.2 0, 0.0 -33,-0.1 -0.548 26.8-154.4 -62.7 129.0 45.8 85.6 41.3 160 160 A A S S+ 0 0 103 -35,-0.3 2,-0.5 -2,-0.3 -34,-0.1 0.675 72.5 70.8 -80.4 -18.0 42.6 83.6 41.2 161 161 A T E -e 126 0A 68 -36,-1.5 -34,-2.6 2,-0.0 2,-0.5 -0.885 57.2-175.2-109.8 125.9 44.3 80.3 40.2 162 162 A M E -e 127 0A 60 -2,-0.5 2,-0.5 -36,-0.2 -34,-0.2 -0.991 8.7-169.7-118.7 124.4 46.5 78.3 42.7 163 163 A I E -e 128 0A 54 -36,-2.3 -34,-1.7 -2,-0.5 2,-0.6 -0.946 23.8-126.7-119.1 131.2 48.2 75.2 41.2 164 164 A D - 0 0 62 -2,-0.5 4,-0.4 -36,-0.2 -34,-0.2 -0.657 17.5-164.5 -71.2 119.2 50.0 72.6 43.3 165 165 A W > + 0 0 10 -2,-0.6 4,-2.8 1,-0.2 5,-0.3 0.561 68.4 92.9 -82.5 -8.3 53.5 72.3 41.7 166 166 A R H > S+ 0 0 50 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.915 82.6 50.9 -54.6 -50.1 54.2 69.0 43.5 167 167 A P H > S+ 0 0 89 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.939 115.2 42.6 -55.2 -44.0 53.0 66.8 40.5 168 168 A V H > S+ 0 0 54 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.934 118.6 44.4 -64.6 -47.3 55.2 68.7 38.0 169 169 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.886 111.6 52.6 -67.4 -38.2 58.3 68.8 40.3 170 170 A H H X S+ 0 0 37 -4,-3.2 4,-1.4 -5,-0.3 -1,-0.2 0.885 106.8 52.7 -70.3 -32.6 57.9 65.2 41.4 171 171 A E H X S+ 0 0 75 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.868 109.4 50.6 -64.7 -37.0 57.8 64.1 37.7 172 172 A M H >< S+ 0 0 29 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.950 110.6 48.8 -60.9 -48.1 61.1 66.1 37.3 173 173 A R H 3< S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.760 99.6 67.2 -63.3 -29.1 62.6 64.4 40.3 174 174 A L H 3< S+ 0 0 1 -4,-1.4 2,-0.6 -5,-0.2 205,-0.4 0.772 96.8 58.4 -64.9 -28.2 61.6 61.0 39.0 175 175 A F S << S- 0 0 56 -3,-1.1 2,-0.2 -4,-0.6 203,-0.2 -0.912 84.2-147.8-109.1 111.1 64.0 61.3 36.0 176 176 A K - 0 0 16 201,-2.5 -3,-0.1 -2,-0.6 -2,-0.1 -0.534 6.3-130.7 -83.7 142.5 67.6 61.8 37.2 177 177 A S > - 0 0 28 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.362 34.9-102.4 -73.8 165.1 70.3 63.8 35.4 178 178 A P H > S+ 0 0 98 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.892 125.6 54.4 -57.0 -35.7 73.7 62.2 34.8 179 179 A E H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.898 108.1 48.2 -65.4 -41.5 75.0 64.3 37.7 180 180 A E H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 109.8 52.1 -63.4 -42.8 72.3 63.0 40.0 181 181 A I H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.906 107.4 53.1 -61.1 -38.1 73.1 59.4 38.9 182 182 A A H X S+ 0 0 23 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.902 110.3 47.2 -63.2 -40.6 76.8 60.1 39.7 183 183 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.944 113.1 48.0 -64.8 -45.7 75.8 61.2 43.2 184 184 A L H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.856 107.6 56.6 -63.4 -36.2 73.5 58.2 43.7 185 185 A R H X S+ 0 0 97 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.914 109.6 45.4 -60.8 -41.9 76.3 55.9 42.5 186 186 A R H X S+ 0 0 63 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.914 110.7 52.7 -68.9 -40.3 78.6 57.4 45.2 187 187 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 76,-0.3 0.917 110.2 50.1 -58.9 -41.6 75.8 57.0 47.8 188 188 A G H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.908 111.2 47.4 -62.6 -42.3 75.5 53.4 46.7 189 189 A E H X S+ 0 0 91 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.901 113.5 47.3 -65.7 -46.3 79.3 52.8 47.0 190 190 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.926 114.0 47.9 -60.3 -47.2 79.4 54.4 50.5 191 191 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.922 110.7 51.2 -62.1 -43.0 76.4 52.4 51.7 192 192 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.895 107.4 53.1 -61.2 -41.9 77.9 49.2 50.3 193 193 A M H X S+ 0 0 53 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.883 108.7 51.0 -59.6 -39.9 81.2 49.8 52.2 194 194 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.913 110.0 48.3 -65.0 -42.4 79.2 50.3 55.4 195 195 A H H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.896 110.4 51.4 -66.6 -38.2 77.3 47.0 54.9 196 196 A T H X S+ 0 0 30 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.927 109.9 50.8 -61.0 -45.1 80.6 45.1 54.1 197 197 A R H X S+ 0 0 36 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.899 107.2 52.9 -58.5 -44.3 82.0 46.6 57.3 198 198 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.914 110.3 48.0 -60.5 -43.0 79.0 45.4 59.3 199 199 A M H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.8 48.4 -64.2 -38.6 79.4 41.8 58.0 200 200 A E H < S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.722 117.3 41.6 -73.1 -22.3 83.2 41.9 58.8 201 201 A K H < S+ 0 0 90 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.728 85.7 111.6 -96.5 -25.6 82.5 43.2 62.4 202 202 A C < + 0 0 0 -4,-2.0 -4,-0.0 -5,-0.2 236,-0.0 -0.287 36.3 161.7 -60.2 128.6 79.5 41.2 63.4 203 203 A R > - 0 0 70 76,-0.0 3,-1.9 48,-0.0 48,-0.2 -0.982 47.6 -90.0-140.5 148.9 80.2 38.6 66.2 204 204 A P T 3 S+ 0 0 46 0, 0.0 48,-0.2 0, 0.0 3,-0.1 -0.347 113.1 34.1 -53.9 136.5 77.8 36.7 68.5 205 205 A G T 3 S+ 0 0 33 46,-2.9 2,-0.1 1,-0.5 47,-0.1 0.120 87.6 116.3 99.1 -22.2 77.3 38.7 71.7 206 206 A M < - 0 0 43 -3,-1.9 45,-3.1 45,-0.2 -1,-0.5 -0.479 69.8-113.5 -66.5 152.9 77.5 42.1 70.1 207 207 A F B >> -G 250 0C 66 43,-0.3 3,-1.2 -2,-0.1 4,-0.8 -0.571 19.3-115.6 -85.6 153.0 74.3 44.2 70.3 208 208 A E H >> S+ 0 0 0 41,-2.6 4,-1.2 1,-0.3 3,-1.1 0.916 116.7 59.1 -51.0 -43.6 72.3 45.1 67.2 209 209 A Y H 3> S+ 0 0 111 38,-1.3 4,-2.2 1,-0.3 -1,-0.3 0.752 92.2 68.1 -62.9 -24.2 73.1 48.7 67.9 210 210 A H H <> S+ 0 0 79 -3,-1.2 4,-1.9 2,-0.2 -1,-0.3 0.887 100.0 48.6 -60.4 -38.5 76.8 48.0 67.6 211 211 A L H <>S+ 0 0 1 -4,-2.5 5,-2.3 1,-0.2 3,-0.9 0.956 111.9 49.9 -52.8 -50.6 79.0 56.7 56.3 220 220 A N H ><5S+ 0 0 87 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.882 101.8 58.6 -57.7 -43.0 80.7 59.6 58.1 221 221 A R H 3<5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.759 107.2 48.3 -67.9 -19.7 84.2 58.9 57.0 222 222 A H T <<5S- 0 0 34 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.326 127.2 -95.9 -98.5 5.9 83.1 59.2 53.3 223 223 A G T < 5S+ 0 0 52 -3,-2.1 2,-0.9 -4,-0.2 43,-0.3 0.610 89.4 122.7 93.2 10.9 81.3 62.5 53.9 224 224 A A < + 0 0 1 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.854 36.2 179.3-100.0 91.5 77.8 61.2 54.4 225 225 A R + 0 0 177 -2,-0.9 -5,-0.2 39,-0.2 -1,-0.2 0.845 59.9 36.6 -66.1 -36.2 77.2 62.6 57.9 226 226 A Y E S-H 264 0D 83 38,-0.5 38,-2.0 -3,-0.1 2,-0.1 -0.905 80.7-115.8-120.9 146.8 73.6 61.4 58.3 227 227 A P E -H 263 0D 39 0, 0.0 36,-0.3 0, 0.0 3,-0.1 -0.416 23.2-127.7 -69.1 157.3 71.7 58.3 57.3 228 228 A S S S+ 0 0 19 34,-2.3 132,-0.4 42,-0.2 2,-0.3 0.612 90.0 0.2 -81.8 -11.0 68.8 58.6 54.9 229 229 A Y S S- 0 0 24 33,-0.6 33,-0.4 130,-0.1 2,-0.3 -0.954 101.1 -66.6-164.5 166.0 66.5 56.8 57.2 230 230 A N - 0 0 129 -2,-0.3 30,-0.1 1,-0.1 -2,-0.0 -0.465 60.4-112.8 -69.9 124.5 66.6 55.2 60.6 231 231 A T - 0 0 6 -2,-0.3 2,-0.5 14,-0.1 30,-0.2 -0.281 25.1-148.3 -62.7 133.6 68.9 52.1 60.5 232 232 A I E +J 260 0E 2 28,-2.8 28,-2.2 10,-0.1 2,-0.3 -0.914 20.6 172.3-106.5 121.8 67.3 48.7 60.9 233 233 A V E +J 259 0E 0 11,-0.5 2,-0.8 -2,-0.5 26,-0.2 -0.806 11.8 174.5-130.2 89.7 69.4 45.9 62.6 234 234 A G E -J 258 0E 1 24,-2.7 24,-2.0 -2,-0.3 2,-0.3 -0.849 5.4-175.9-107.2 100.9 67.0 43.0 63.2 235 235 A S E > -J 257 0E 5 -2,-0.8 3,-2.0 22,-0.3 22,-0.3 -0.683 56.1 -21.9 -94.8 149.7 68.5 39.8 64.5 236 236 A G G > S- 0 0 10 20,-2.9 3,-2.0 -2,-0.3 4,-0.3 -0.273 137.7 -1.3 55.3-132.9 66.5 36.6 65.0 237 237 A E G > S+ 0 0 124 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.729 126.2 71.3 -62.5 -19.6 62.8 37.2 65.4 238 238 A N G X S+ 0 0 34 -3,-2.0 3,-1.7 1,-0.3 -1,-0.3 0.756 82.8 70.3 -68.0 -22.5 63.4 40.9 65.0 239 239 A G G < S+ 0 0 2 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.678 88.4 65.3 -66.3 -16.0 64.2 40.4 61.3 240 240 A C G < S+ 0 0 30 -3,-1.5 2,-0.6 -4,-0.3 -1,-0.3 0.412 83.6 83.9 -84.6 -0.4 60.5 39.6 60.9 241 241 A I S X S- 0 0 89 -3,-1.7 3,-1.3 1,-0.1 -7,-0.0 -0.935 77.0-147.2-103.3 117.0 59.6 43.3 61.8 242 242 A L T 3 S+ 0 0 49 -2,-0.6 -1,-0.1 1,-0.3 -8,-0.1 0.836 89.9 21.0 -61.7 -42.4 60.0 45.3 58.6 243 243 A A T 3 S+ 0 0 53 199,-0.1 2,-0.4 -10,-0.0 -1,-0.3 -0.351 81.1 165.9-121.7 49.4 61.3 48.6 60.0 244 244 A Y < + 0 0 7 -3,-1.3 -11,-0.5 -6,-0.2 -3,-0.0 -0.546 3.3 161.3 -65.1 117.4 62.6 47.4 63.4 245 245 A T + 0 0 59 -2,-0.4 -1,-0.2 -13,-0.2 -14,-0.1 0.424 46.9 93.1-123.1 1.5 64.7 50.3 64.7 246 246 A E - 0 0 115 1,-0.1 -37,-0.1 2,-0.0 -1,-0.1 0.880 56.3-178.0 -60.5 -42.2 65.0 49.5 68.5 247 247 A N + 0 0 2 1,-0.1 -38,-1.3 -14,-0.1 -35,-0.1 0.801 34.7 130.6 48.2 41.4 68.3 47.6 67.7 248 248 A E + 0 0 118 -40,-0.2 2,-0.2 -41,-0.1 -1,-0.1 0.426 34.6 97.7-106.0 -6.0 68.4 46.8 71.4 249 249 A X S S- 0 0 61 1,-0.1 -41,-2.6 -42,-0.0 2,-0.3 -0.613 73.6-112.5 -96.8 152.4 69.1 43.0 71.5 250 250 A E B -G 207 0C 72 -2,-0.2 2,-0.4 -43,-0.2 -43,-0.3 -0.620 39.1-120.4 -74.3 130.1 72.2 40.9 71.9 251 251 A M - 0 0 1 -45,-3.1 -46,-2.9 -2,-0.3 2,-0.3 -0.622 31.3-140.2 -80.4 126.4 72.8 39.1 68.6 252 252 A R > - 0 0 133 -2,-0.4 3,-2.2 -48,-0.2 2,-0.3 -0.720 16.1-108.7 -99.3 139.9 72.8 35.3 69.2 253 253 A D T 3 S+ 0 0 114 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.478 110.5 30.2 -56.7 120.6 75.0 32.6 67.7 254 254 A G T 3 S+ 0 0 26 1,-0.4 -1,-0.2 -2,-0.3 2,-0.2 0.200 99.4 104.1 107.1 -11.6 72.7 30.7 65.3 255 255 A D < - 0 0 57 -3,-2.2 23,-2.7 27,-0.0 -1,-0.4 -0.638 65.6-126.2 -93.5 157.5 70.5 33.7 64.3 256 256 A L E - K 0 277E 8 21,-0.3 -20,-2.9 -2,-0.2 2,-0.4 -0.627 17.2-146.6 -86.5 158.1 70.4 35.8 61.2 257 257 A V E -JK 235 276E 0 19,-2.5 19,-2.4 -22,-0.3 2,-0.5 -1.000 4.6-156.4-127.0 131.2 70.7 39.6 61.3 258 258 A L E -JK 234 275E 3 -24,-2.0 -24,-2.7 -2,-0.4 2,-0.5 -0.942 10.0-168.6-104.9 120.9 68.9 41.7 58.7 259 259 A I E +JK 233 274E 0 15,-3.0 15,-2.1 -2,-0.5 2,-0.5 -0.961 10.2 179.0-117.5 119.0 70.5 45.1 58.2 260 260 A D E +JK 232 273E 0 -28,-2.2 -28,-2.8 -2,-0.5 2,-0.3 -0.979 27.1 143.7-117.6 109.6 68.6 47.8 56.2 261 261 A A E + K 0 272E 0 11,-2.4 11,-1.8 -2,-0.5 2,-0.3 -0.995 21.8 178.0-151.9 146.3 70.7 51.0 56.1 262 262 A G - 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0 0 122 153,-0.1 -2,-0.2 -5,-0.1 2,-0.1 -0.967 69.5-135.5-136.7 118.5 77.6 30.2 58.6 282 282 A F - 0 0 9 -2,-0.4 2,-0.1 145,-0.1 -27,-0.0 -0.443 22.3-130.0 -64.5 136.9 74.0 29.8 57.4 283 283 A T > - 0 0 61 -29,-0.2 4,-2.7 -2,-0.1 5,-0.2 -0.408 30.5-102.3 -73.4 166.8 72.1 26.8 58.8 284 284 A Q H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.941 124.0 47.7 -56.9 -47.1 70.4 24.6 56.3 285 285 A A H > S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 112.4 48.9 -60.6 -42.7 67.0 26.1 57.0 286 286 A Q H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.917 111.4 49.8 -65.3 -42.8 68.4 29.7 56.8 287 287 A R H X S+ 0 0 84 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.882 105.8 57.0 -62.6 -39.1 70.0 28.9 53.4 288 288 A E H X S+ 0 0 48 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.918 113.8 38.4 -62.7 -43.2 66.8 27.3 52.0 289 289 A I H >X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 3,-0.6 0.936 115.1 54.5 -69.8 -43.5 64.9 30.6 52.7 290 290 A Y H 3X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.897 102.5 57.5 -57.3 -44.3 67.8 32.8 51.6 291 291 A D H 3X S+ 0 0 67 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.855 105.9 49.7 -58.3 -37.0 68.2 31.0 48.3 292 292 A I H - 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