==== 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 OXIDOREDUCTASE 13-FEB-06 2G17 . COMPND 2 MOLECULE: N-ACETYL-GAMMA-GLUTAMYL-PHOSPHATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.E.CUFF,M.ZHOU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR S . 337 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 9.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 33 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 1 0 1 1 0 0 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 1 0 2 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 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -2 A S 0 0 148 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 168.0 89.8 40.3 29.8 2 -1 A N - 0 0 157 1,-0.2 3,-0.1 27,-0.0 0, 0.0 -0.429 360.0 -79.8 -76.1 164.5 92.5 37.9 28.5 3 0 A A - 0 0 78 1,-0.1 -1,-0.2 -2,-0.1 3,-0.0 -0.254 55.6 -93.0 -59.1 151.1 95.3 37.0 30.9 4 1 A X - 0 0 102 1,-0.1 2,-0.5 -3,-0.1 26,-0.3 -0.369 46.3-103.7 -64.7 147.3 98.1 39.5 31.4 5 2 A L E -a 30 0A 24 24,-2.8 26,-2.8 -3,-0.1 2,-0.5 -0.657 30.3-124.5 -74.1 124.8 101.1 38.9 29.1 6 3 A N E -a 31 0A 52 -2,-0.5 72,-2.6 24,-0.2 71,-2.4 -0.632 36.2-165.3 -72.0 119.4 104.0 37.3 31.0 7 4 A T E -ab 32 78A 0 24,-2.9 26,-3.3 -2,-0.5 27,-1.0 -0.923 16.6-164.1-122.2 128.8 106.9 39.6 30.3 8 5 A L E -ab 34 79A 0 70,-2.7 72,-2.7 -2,-0.4 2,-0.6 -0.910 7.6-157.0-108.5 134.6 110.6 39.1 30.8 9 6 A I E > -ab 35 80A 0 25,-2.1 27,-2.5 -2,-0.4 3,-0.6 -0.956 9.1-163.9-115.0 112.7 112.9 42.1 30.8 10 7 A V E 3 S+ab 36 81A 4 70,-2.9 72,-3.0 -2,-0.6 27,-0.2 -0.814 77.1 18.7 -99.4 130.2 116.5 41.1 30.0 11 8 A G T > S+ 0 0 15 25,-1.5 3,-1.2 -2,-0.4 6,-0.4 0.825 78.4 158.1 76.0 35.4 119.2 43.7 30.8 12 9 A A T < + 0 0 0 24,-1.5 9,-0.2 -3,-0.6 25,-0.1 0.591 53.7 74.7 -67.1 -15.2 116.8 45.4 33.3 13 10 A S T 3 S+ 0 0 21 23,-0.4 -1,-0.2 4,-0.1 24,-0.1 0.616 80.9 84.2 -83.5 -10.1 119.5 47.1 35.3 14 11 A G S <> S- 0 0 19 -3,-1.2 4,-2.3 68,-0.2 5,-0.1 -0.216 95.4 -95.8 -83.7 179.9 120.4 49.8 32.7 15 12 A Y H > S+ 0 0 92 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.889 124.5 42.2 -65.6 -46.0 118.7 53.1 32.2 16 13 A A H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.908 112.6 55.0 -66.7 -43.2 116.4 51.9 29.4 17 14 A G H > S+ 0 0 1 -6,-0.4 4,-2.4 65,-0.3 -2,-0.2 0.900 104.9 53.7 -55.3 -43.0 115.6 48.7 31.2 18 15 A A H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.859 107.9 50.0 -62.0 -38.6 114.5 50.7 34.3 19 16 A E H X S+ 0 0 29 -4,-1.2 4,-1.8 -3,-0.2 -1,-0.2 0.865 108.6 52.4 -67.7 -38.4 112.0 52.6 32.1 20 17 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.901 106.2 55.0 -57.1 -44.7 110.7 49.4 30.7 21 18 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.926 108.0 48.4 -57.1 -47.0 110.2 48.1 34.2 22 19 A S H X S+ 0 0 21 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.884 114.4 45.5 -58.4 -46.7 108.0 51.2 35.1 23 20 A Y H X S+ 0 0 11 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.933 115.3 44.7 -64.7 -48.2 105.9 50.9 32.0 24 21 A V H < S+ 0 0 1 -4,-2.9 6,-0.3 1,-0.2 -2,-0.2 0.919 111.4 53.9 -66.2 -42.4 105.3 47.1 32.3 25 22 A N H < S+ 0 0 80 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.883 114.7 41.5 -52.6 -44.1 104.6 47.4 36.0 26 23 A R H < S+ 0 0 133 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.687 90.7 104.5 -79.2 -25.5 101.9 50.0 35.2 27 24 A H >< - 0 0 4 -4,-1.7 3,-1.2 -3,-0.2 307,-0.0 -0.445 63.6-148.7 -61.8 120.5 100.5 48.2 32.1 28 25 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.642 95.0 43.0 -65.0 -11.1 97.1 46.6 33.0 29 26 A H T 3 S+ 0 0 47 -25,-0.1 -24,-2.8 -5,-0.1 2,-0.3 0.146 106.4 64.9-121.2 16.5 97.7 43.7 30.4 30 27 A X E < -a 5 0A 4 -3,-1.2 2,-0.4 -6,-0.3 -24,-0.2 -0.992 57.7-169.3-140.8 144.1 101.4 42.9 31.1 31 28 A T E -a 6 0A 49 -26,-2.8 -24,-2.9 -2,-0.3 2,-0.6 -0.995 27.4-114.2-139.5 140.0 103.0 41.5 34.1 32 29 A I E +a 7 0A 25 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.639 28.1 176.9 -77.7 118.8 106.7 41.1 35.0 33 30 A T E - 0 0 66 -26,-3.3 2,-0.3 -2,-0.6 -25,-0.2 0.834 67.4 -22.7 -85.2 -39.8 107.8 37.5 35.2 34 31 A A E -a 8 0A 6 -27,-1.0 -25,-2.1 27,-0.0 2,-0.4 -0.969 48.1-136.4-165.6 157.6 111.4 38.2 35.9 35 32 A L E -ac 9 63A 0 27,-0.6 29,-2.7 -2,-0.3 2,-0.3 -0.979 32.7-162.1-117.1 131.7 114.2 40.8 35.5 36 33 A T E -ac 10 64A 0 -27,-2.5 -24,-1.5 -2,-0.4 -25,-1.5 -0.854 17.6-176.2-122.7 154.1 117.5 39.5 34.4 37 34 A V E - c 0 65A 9 27,-2.4 29,-2.7 -2,-0.3 -2,-0.0 -0.827 48.4 -68.4-128.5 172.1 121.2 40.5 34.3 38 35 A S E > - c 0 66A 81 -2,-0.3 3,-1.8 27,-0.2 29,-0.2 -0.179 54.8-101.5 -61.2 159.9 124.3 38.7 32.7 39 36 A A T 3 S+ 0 0 35 27,-0.6 28,-0.1 1,-0.3 -1,-0.1 0.772 119.5 29.6 -56.4 -33.8 125.4 35.4 34.4 40 37 A Q T 3 S+ 0 0 175 26,-0.1 -1,-0.3 27,-0.0 -2,-0.1 -0.061 86.7 153.4-119.4 30.8 128.3 37.0 36.3 41 38 A S X - 0 0 25 -3,-1.8 3,-1.4 1,-0.1 -4,-0.1 -0.340 50.1-135.5 -64.2 138.5 126.9 40.5 36.8 42 39 A N T 3 S+ 0 0 152 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.639 107.0 58.1 -62.7 -13.5 128.1 42.5 39.8 43 40 A D T > S+ 0 0 24 -5,-0.1 3,-1.7 2,-0.1 20,-0.3 0.389 73.6 133.6-102.2 5.3 124.4 43.4 40.2 44 41 A A T < S+ 0 0 41 -3,-1.4 20,-0.2 1,-0.3 3,-0.1 -0.277 76.2 12.1 -57.4 130.2 123.1 39.8 40.6 45 42 A G T 3 S+ 0 0 53 18,-3.3 -1,-0.3 1,-0.3 2,-0.1 0.232 96.9 122.6 85.9 -16.5 120.6 39.5 43.5 46 43 A K < - 0 0 91 -3,-1.7 17,-2.6 17,-0.3 -1,-0.3 -0.497 69.2-108.7 -75.5 150.8 120.3 43.2 44.0 47 44 A L B >> -G 62 0B 62 15,-0.2 3,-1.8 -2,-0.1 4,-1.1 -0.571 19.5-124.5 -79.6 142.2 116.8 44.7 43.8 48 45 A I H 3> S+ 0 0 0 13,-2.7 4,-2.3 1,-0.3 3,-0.2 0.850 114.6 57.0 -52.0 -36.6 116.0 46.8 40.8 49 46 A S H 34 S+ 0 0 9 12,-0.2 -1,-0.3 2,-0.2 7,-0.2 0.596 96.3 64.0 -76.6 -10.0 115.0 49.6 43.2 50 47 A D H <4 S+ 0 0 96 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.904 114.7 31.3 -67.6 -45.1 118.5 49.4 44.8 51 48 A L H < S+ 0 0 26 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.782 134.6 32.1 -82.0 -29.6 120.1 50.6 41.5 52 49 A H >< + 0 0 7 -4,-2.3 3,-2.6 -5,-0.2 -1,-0.2 -0.709 69.1 178.3-129.7 75.8 117.1 52.7 40.5 53 50 A P G > S+ 0 0 83 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.570 72.1 79.1 -69.6 -6.6 115.6 54.1 43.7 54 51 A Q G 3 S+ 0 0 109 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.767 93.6 55.8 -57.9 -25.2 112.9 56.0 41.9 55 52 A L G X> S+ 0 0 3 -3,-2.6 3,-2.6 -7,-0.2 4,-2.1 0.444 78.4 136.6 -84.9 -1.1 111.3 52.5 41.8 56 53 A K T <4 S+ 0 0 163 -3,-1.4 4,-0.1 1,-0.3 -6,-0.0 -0.254 80.4 1.4 -55.7 126.7 111.4 52.1 45.6 57 54 A G T 34 S+ 0 0 63 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.298 127.6 70.4 78.0 -5.1 108.2 50.6 46.9 58 55 A I T <4 S+ 0 0 103 -3,-2.6 2,-0.4 1,-0.3 -2,-0.2 0.833 116.0 3.3-107.7 -58.6 106.8 50.4 43.3 59 56 A V < + 0 0 6 -4,-2.1 -1,-0.3 2,-0.1 -10,-0.2 -0.946 63.7 160.6-130.3 116.6 109.0 47.6 41.8 60 57 A D + 0 0 67 -2,-0.4 -4,-0.1 -3,-0.1 -1,-0.1 -0.084 25.0 145.9-121.7 30.2 111.5 45.9 44.2 61 58 A L - 0 0 69 -14,-0.1 -13,-2.7 1,-0.1 -12,-0.2 -0.383 51.2-107.6 -70.4 147.9 112.1 42.7 42.2 62 59 A P B -G 47 0B 56 0, 0.0 2,-0.8 0, 0.0 -27,-0.6 -0.407 23.2-119.1 -73.6 153.3 115.5 41.1 42.3 63 60 A L E -c 35 0A 0 -17,-2.6 -18,-3.3 -20,-0.3 -17,-0.3 -0.846 34.0-152.1 -88.7 109.5 117.9 41.1 39.3 64 61 A Q E -c 36 0A 78 -29,-2.7 -27,-2.4 -2,-0.8 2,-0.3 -0.721 11.9-125.8 -92.8 127.9 118.4 37.5 38.5 65 62 A P E -c 37 0A 61 0, 0.0 2,-0.6 0, 0.0 -26,-0.2 -0.534 27.0-154.8 -68.1 127.5 121.7 36.3 36.8 66 63 A X E +c 38 0A 19 -29,-2.7 -27,-0.6 -2,-0.3 -26,-0.1 -0.931 31.6 157.5-110.4 120.1 120.7 34.4 33.6 67 64 A S S S+ 0 0 101 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.616 74.1 33.6-107.7 -19.5 123.1 31.8 32.3 68 65 A D > - 0 0 44 1,-0.1 3,-1.7 -29,-0.0 -1,-0.3 -0.982 65.3-146.5-141.8 124.3 120.6 29.8 30.2 69 66 A V G >> S+ 0 0 5 -2,-0.4 3,-1.9 1,-0.3 4,-1.8 0.798 97.9 67.6 -54.8 -31.3 117.5 31.2 28.4 70 67 A R G 34 S+ 0 0 181 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.687 88.6 64.5 -73.3 -14.9 115.6 27.9 29.2 71 68 A D G <4 S+ 0 0 109 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.594 119.1 24.2 -74.4 -15.0 115.6 28.8 32.9 72 69 A F T <4 S+ 0 0 30 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.1 0.556 103.8 77.9-124.8 -13.8 113.4 31.8 32.1 73 70 A S >< + 0 0 14 -4,-1.8 3,-1.7 2,-0.1 -3,-0.1 0.772 64.4 103.5 -78.4 -26.8 111.6 31.1 28.8 74 71 A A T 3 S+ 0 0 74 -4,-0.5 3,-0.1 1,-0.3 25,-0.1 -0.334 96.5 3.9 -63.3 131.4 108.9 28.8 30.0 75 72 A D T 3 S+ 0 0 139 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.795 97.1 135.2 58.9 32.6 105.5 30.6 30.3 76 73 A V < + 0 0 12 -3,-1.7 -1,-0.2 22,-0.2 -69,-0.2 -0.931 28.5 175.2-106.4 133.0 106.9 33.8 28.8 77 74 A D + 0 0 69 -71,-2.4 24,-2.6 -2,-0.5 2,-0.4 0.785 69.2 30.8 -94.8 -45.3 104.8 35.6 26.2 78 75 A V E -bd 7 101A 0 -72,-2.6 -70,-2.7 22,-0.2 2,-0.5 -0.952 60.1-167.5-127.4 133.4 107.0 38.8 25.7 79 76 A V E -bd 8 102A 0 22,-3.0 24,-3.1 -2,-0.4 2,-0.6 -0.984 3.7-164.0-119.8 125.1 110.7 39.4 26.0 80 77 A F E -bd 9 103A 0 -72,-2.7 -70,-2.9 -2,-0.5 2,-0.8 -0.936 8.5-157.1-100.6 121.3 112.2 42.9 26.0 81 78 A L E +bd 10 104A 0 22,-2.7 24,-2.3 -2,-0.6 25,-0.4 -0.844 19.7 170.3 -98.0 102.1 115.9 42.8 25.4 82 79 A A + 0 0 22 -72,-3.0 -65,-0.3 -2,-0.8 -68,-0.2 -0.353 47.3 113.3 -99.6 48.6 117.5 46.0 26.8 83 80 A T S S- 0 0 31 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.574 73.5 -78.7-116.5 175.7 120.9 44.6 26.2 84 81 A A > - 0 0 68 -2,-0.2 4,-2.6 22,-0.1 3,-0.2 -0.310 49.4-100.2 -75.5 162.0 124.0 45.3 24.0 85 82 A H H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.830 118.8 46.7 -54.1 -44.8 124.1 44.3 20.3 86 83 A E H > S+ 0 0 127 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.875 113.5 48.4 -72.7 -36.5 126.2 41.2 20.6 87 84 A V H > S+ 0 0 68 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.932 112.3 50.4 -60.7 -45.7 124.1 39.9 23.6 88 85 A S H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.895 106.8 53.7 -63.2 -41.5 120.9 40.6 21.6 89 86 A H H < S+ 0 0 20 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.873 115.8 40.6 -54.0 -43.5 122.3 38.8 18.5 90 87 A D H X S+ 0 0 85 -4,-1.4 4,-0.7 -3,-0.2 -2,-0.2 0.929 122.3 39.3 -71.3 -49.8 122.9 35.7 20.7 91 88 A L H X S+ 0 0 18 -4,-3.1 4,-2.0 1,-0.2 3,-0.4 0.860 100.4 66.8 -74.8 -44.0 119.7 35.9 22.8 92 89 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.2 0.909 101.8 48.3 -50.0 -52.2 116.9 36.9 20.4 93 90 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.858 110.3 52.7 -59.6 -36.1 117.0 33.6 18.3 94 91 A Q H X S+ 0 0 69 -4,-0.7 4,-1.0 -3,-0.4 -2,-0.2 0.888 111.1 45.6 -67.3 -38.8 117.0 31.5 21.5 95 92 A F H <>S+ 0 0 0 -4,-2.0 5,-2.3 -3,-0.2 -1,-0.2 0.881 112.7 51.1 -71.3 -37.6 113.9 33.3 22.8 96 93 A L H ><5S+ 0 0 38 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.924 108.0 53.1 -57.3 -47.8 112.2 33.0 19.4 97 94 A Q H 3<5S+ 0 0 171 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.762 104.2 56.3 -58.8 -31.0 112.9 29.4 19.4 98 95 A A T 3<5S- 0 0 43 -4,-1.0 -1,-0.3 -3,-0.1 -22,-0.2 0.307 124.9-101.9 -84.0 4.7 111.3 29.1 22.8 99 96 A G T < 5S+ 0 0 64 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.649 75.5 138.8 86.2 17.0 108.0 30.6 21.4 100 97 A C < - 0 0 4 -5,-2.3 2,-0.5 -22,-0.0 -1,-0.3 -0.592 55.7-123.7 -92.3 154.0 108.4 34.2 22.7 101 98 A V E -d 78 0A 11 -24,-2.6 -22,-3.0 -2,-0.2 2,-0.5 -0.860 34.4-150.6 -88.6 128.9 107.7 37.5 21.0 102 99 A V E -de 79 151A 0 48,-3.0 50,-2.8 -2,-0.5 2,-0.7 -0.922 19.8-170.8-115.1 121.3 111.0 39.5 21.1 103 100 A F E -de 80 152A 0 -24,-3.1 -22,-2.7 -2,-0.5 2,-0.6 -0.939 18.2-162.6-103.0 106.1 111.3 43.3 21.2 104 101 A D E -de 81 153A 0 48,-3.2 50,-3.2 -2,-0.7 -22,-0.1 -0.849 16.3-173.3 -96.3 122.0 115.0 44.0 20.8 105 102 A L + 0 0 21 -24,-2.3 -1,-0.1 -2,-0.6 -23,-0.1 0.587 62.3 86.7 -86.7 -11.3 116.2 47.5 21.8 106 103 A S S S- 0 0 9 -25,-0.4 3,-0.4 -22,-0.1 -22,-0.1 -0.170 89.3-111.0 -82.2 178.1 119.6 46.9 20.4 107 104 A G S > S+ 0 0 4 1,-0.2 3,-1.4 2,-0.1 4,-0.4 0.535 86.5 105.4 -82.8 -6.5 120.9 47.5 16.8 108 105 A A T 3 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.1 9,-0.1 0.660 92.1 21.2 -56.3 -26.4 121.4 43.7 16.1 109 106 A F T 3 S+ 0 0 3 -3,-0.4 -1,-0.3 45,-0.1 44,-0.2 0.274 93.9 100.2-125.8 12.3 118.3 43.3 13.8 110 107 A R S < S+ 0 0 20 -3,-1.4 2,-0.5 44,-0.1 -2,-0.1 0.741 78.5 48.9 -73.0 -30.2 117.6 46.8 12.6 111 108 A V S S- 0 0 2 -4,-0.4 2,-2.0 2,-0.1 6,-0.1 -0.962 72.2-139.0-124.0 128.6 119.2 46.6 9.1 112 109 A N S S+ 0 0 88 -2,-0.5 2,-0.3 20,-0.1 -3,-0.0 -0.407 74.9 93.5 -82.4 62.9 118.6 43.8 6.5 113 110 A D > - 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0 0 73 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.1 -0.812 36.7-130.6 -87.6 112.5 129.4 38.6 11.5 125 122 A H - 0 0 2 -2,-0.7 -7,-0.1 -11,-0.4 -11,-0.0 -0.481 19.6-168.0 -65.5 121.7 125.6 38.4 11.8 126 123 A Q S S+ 0 0 119 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.388 71.6 63.3 -96.0 3.1 124.6 34.7 11.9 127 124 A Y >> + 0 0 69 1,-0.1 4,-1.5 2,-0.1 3,-0.8 -0.484 46.8 155.0-129.9 65.2 120.8 35.1 11.4 128 125 A P H 3> S+ 0 0 41 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.806 77.8 59.2 -63.6 -29.6 120.2 36.6 7.9 129 126 A E H 3> S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.832 105.6 49.7 -64.9 -32.3 116.7 35.0 7.9 130 127 A L H <> S+ 0 0 25 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.757 102.8 60.0 -75.5 -28.5 115.9 37.0 11.1 131 128 A L H < S+ 0 0 7 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.871 110.7 42.6 -60.7 -36.5 117.2 40.2 9.4 132 129 A E H < S+ 0 0 142 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.795 117.1 46.9 -76.8 -33.6 114.4 39.5 6.8 133 130 A Q H < S+ 0 0 142 -4,-1.4 18,-0.3 -5,-0.1 -2,-0.2 0.835 89.5 101.4 -76.2 -36.5 111.8 38.6 9.4 134 131 A A < - 0 0 19 -4,-2.4 2,-0.5 16,-0.1 18,-0.2 -0.156 63.2-143.1 -54.6 138.0 112.5 41.6 11.8 135 132 A V E -f 152 0A 15 16,-2.3 18,-2.8 11,-0.1 2,-0.6 -0.924 18.7-123.8-105.9 128.4 110.1 44.5 11.8 136 133 A Y E -f 153 0A 17 -2,-0.5 2,-1.3 16,-0.2 18,-0.2 -0.617 22.2-139.2 -71.4 117.0 111.7 47.9 12.2 137 134 A G + 0 0 0 16,-2.8 2,-1.4 -2,-0.6 186,-0.1 -0.078 56.1 135.2 -82.0 38.3 109.9 49.3 15.2 138 135 A L >> - 0 0 3 -2,-1.3 3,-1.8 1,-0.2 4,-0.5 -0.744 46.1-160.3 -79.1 96.9 109.5 52.9 14.1 139 136 A A G >4 S+ 0 0 0 -2,-1.4 3,-0.6 1,-0.3 4,-0.2 0.729 76.6 58.6 -66.7 -32.9 105.9 52.7 15.3 140 137 A E G 34 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.725 117.7 34.3 -65.7 -19.5 104.2 55.5 13.3 141 138 A W G <4 S+ 0 0 83 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.370 116.0 50.4-119.9 3.2 105.3 53.9 10.0 142 139 A N S+ 0 0 42 -4,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.910 74.0 49.7 -57.1 -49.3 101.7 49.5 12.1 144 141 A D H 4 S+ 0 0 141 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.935 115.9 41.3 -61.7 -47.1 100.6 46.7 9.7 145 142 A K H >> S+ 0 0 147 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.838 109.6 60.1 -68.5 -32.4 103.8 44.7 10.0 146 143 A L H 3< S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.785 92.8 68.1 -63.9 -26.6 103.9 45.3 13.8 147 144 A N T 3< S+ 0 0 76 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.768 115.5 24.1 -62.9 -30.6 100.5 43.6 14.2 148 145 A T T <4 S+ 0 0 116 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.272 93.0 125.8-117.7 6.5 102.0 40.2 13.2 149 146 A A < + 0 0 6 -4,-0.6 3,-0.1 -3,-0.4 -15,-0.1 -0.484 29.8 177.3 -74.2 130.4 105.7 40.7 14.1 150 147 A N S S+ 0 0 81 1,-0.3 -48,-3.0 -2,-0.3 2,-0.4 0.576 80.7 46.5-101.4 -15.3 107.4 38.2 16.5 151 148 A L E S-e 102 0A 4 -18,-0.3 -16,-2.3 -50,-0.2 2,-0.5 -0.970 71.3-177.3-124.4 116.9 110.8 39.9 16.2 152 149 A I E -ef 103 135A 0 -50,-2.8 -48,-3.2 -2,-0.4 2,-0.8 -0.953 14.6-156.2-114.7 123.3 110.7 43.7 16.5 153 150 A A E -ef 104 136A 0 -18,-2.8 -16,-2.8 -2,-0.5 -48,-0.2 -0.884 19.0-144.5 -99.7 102.2 114.0 45.6 16.1 154 151 A V - 0 0 0 -50,-3.2 -45,-0.1 -2,-0.8 -44,-0.1 -0.492 23.1-113.0 -70.0 130.6 113.4 48.9 18.0 155 152 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 164,-0.1 -0.175 34.0 -94.5 -57.9 155.7 115.1 51.9 16.3 156 153 A G > - 0 0 2 1,-0.1 4,-1.5 61,-0.1 160,-0.1 -0.246 36.3-110.4 -63.0 160.3 118.0 53.8 17.8 157 154 A C H > S+ 0 0 23 2,-0.2 4,-1.1 1,-0.2 3,-0.4 0.964 117.0 42.0 -62.8 -54.1 117.3 56.9 19.8 158 155 A Y H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 112.3 55.3 -61.8 -46.2 118.7 59.4 17.4 159 156 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.801 100.1 62.2 -52.6 -34.3 117.3 57.5 14.3 160 157 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.4 5,-0.2 0.982 110.2 35.1 -59.1 -60.1 113.7 57.8 15.7 161 158 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.873 117.5 56.0 -63.9 -38.0 113.5 61.6 15.8 162 159 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.921 113.1 39.2 -57.6 -46.6 115.5 61.8 12.6 163 160 A Q H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.840 110.8 56.2 -79.8 -32.6 113.2 59.6 10.6 164 161 A L H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.931 115.1 42.6 -62.1 -39.3 110.0 61.0 12.1 165 162 A S H < S+ 0 0 0 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.927 126.2 29.3 -65.3 -47.4 111.2 64.3 10.8 166 163 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.793 100.8 72.9 -92.1 -32.4 112.5 63.3 7.4 167 164 A K H X S+ 0 0 52 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.924 99.6 44.5 -59.3 -51.5 110.5 60.3 6.1 168 165 A P H > S+ 0 0 6 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.873 114.9 51.4 -64.7 -29.1 107.2 62.0 5.3 169 166 A L H 4>S+ 0 0 0 -4,-0.4 5,-2.4 2,-0.2 6,-0.5 0.891 114.6 41.9 -69.0 -41.5 109.2 64.9 3.6 170 167 A I H ><5S+ 0 0 25 -4,-2.6 3,-1.9 2,-0.2 -3,-0.2 0.944 115.7 47.8 -71.3 -51.4 111.2 62.5 1.5 171 168 A D H 3<5S+ 0 0 98 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.806 110.2 55.6 -59.1 -27.8 108.3 60.2 0.6 172 169 A G T 3<5S- 0 0 43 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.521 111.0-124.9 -81.7 -4.6 106.4 63.4 -0.2 173 170 A G T < 5S+ 0 0 33 -3,-1.9 -3,-0.2 -4,-0.1 -2,-0.1 0.735 70.9 129.4 69.7 25.1 109.1 64.4 -2.7 174 171 A L < + 0 0 17 -5,-2.4 77,-2.7 -6,-0.2 2,-0.4 0.663 48.6 78.9 -84.1 -18.1 109.6 67.8 -1.0 175 172 A L B S-H 250 0C 5 -6,-0.5 2,-1.2 75,-0.3 75,-0.3 -0.769 71.3-135.9-106.7 139.8 113.4 67.7 -0.6 176 173 A D > - 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