==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-DEC-12 4I8P . COMPND 2 MOLECULE: AMINOALDEHYDE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR S.MORERA,A.VIGOUROUX,D.KOPECNY . 998 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 711 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 73 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.7 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 1 0 0 0 3 2 2 3 5 1 1 4 2 0 0 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 10 4 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 . 4 3 5 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 2 0 2 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 6 A M 0 0 153 0, 0.0 33,-0.1 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 -34.0 -31.6 -11.4 26.5 2 7 A V - 0 0 17 31,-1.3 33,-0.1 1,-0.1 22,-0.0 -0.343 360.0 -94.2 -72.1 153.2 -28.1 -10.1 25.3 3 8 A P - 0 0 45 0, 0.0 2,-0.7 0, 0.0 32,-0.3 -0.160 30.6-124.4 -61.7 160.5 -27.6 -8.6 21.8 4 9 A L + 0 0 120 30,-0.1 2,-0.2 32,-0.0 32,-0.1 -0.946 44.4 164.2-109.6 105.8 -26.4 -10.8 18.9 5 10 A R - 0 0 60 -2,-0.7 2,-0.2 30,-0.5 3,-0.1 -0.691 26.3-143.6-115.3 172.3 -23.2 -9.2 17.5 6 11 A Q - 0 0 39 -2,-0.2 2,-0.1 1,-0.2 -1,-0.0 -0.481 46.5 -63.2-116.5-170.1 -20.3 -10.3 15.2 7 12 A L E -A 14 0A 1 7,-2.2 7,-2.5 -2,-0.2 2,-0.6 -0.370 47.7-128.2 -70.9 158.3 -16.6 -9.5 15.3 8 13 A F E +AB 13 210A 8 202,-2.5 202,-2.7 5,-0.2 2,-0.4 -0.941 42.1 157.5-114.8 105.6 -15.7 -5.8 14.7 9 14 A V E > -A 12 0A 2 3,-2.0 3,-2.0 -2,-0.6 200,-0.1 -0.998 65.2 -14.1-135.1 127.0 -13.1 -5.4 11.9 10 15 A D T 3 S- 0 0 48 -2,-0.4 195,-0.2 1,-0.3 -1,-0.1 0.864 127.2 -52.5 51.5 43.3 -12.3 -2.4 9.8 11 16 A G T 3 S+ 0 0 25 197,-0.4 -1,-0.3 1,-0.2 2,-0.3 0.460 118.9 105.7 75.1 5.9 -15.6 -0.6 10.8 12 17 A E E < S-A 9 0A 103 -3,-2.0 -3,-2.0 2,-0.0 2,-0.5 -0.776 74.9-118.8-114.3 161.0 -17.7 -3.7 9.9 13 18 A W E -A 8 0A 67 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.835 42.1-175.5 -91.7 122.8 -19.6 -6.4 11.7 14 19 A R E -A 7 0A 75 -7,-2.5 -7,-2.2 -2,-0.5 3,-0.1 -0.972 23.4-130.8-129.9 120.8 -17.9 -9.6 10.5 15 20 A P - 0 0 83 0, 0.0 -9,-0.1 0, 0.0 5,-0.0 -0.334 45.4 -89.4 -61.3 149.8 -18.9 -13.2 11.2 16 21 A P > - 0 0 6 0, 0.0 3,-1.6 0, 0.0 23,-0.1 -0.342 36.8-119.1 -59.3 142.5 -15.9 -15.4 12.4 17 22 A A T 3 S+ 0 0 49 1,-0.3 22,-0.1 23,-0.1 0, 0.0 0.876 114.5 42.0 -53.3 -42.4 -14.2 -17.1 9.4 18 23 A Q T 3 S- 0 0 104 20,-0.2 -1,-0.3 2,-0.1 21,-0.0 0.369 107.3-127.5 -88.1 5.6 -14.9 -20.6 10.7 19 24 A G < + 0 0 49 -3,-1.6 2,-0.2 1,-0.2 -2,-0.1 0.577 57.6 145.0 60.1 17.9 -18.5 -19.6 11.7 20 25 A R - 0 0 125 18,-0.4 18,-2.5 -5,-0.0 2,-0.3 -0.539 29.6-161.3 -88.6 152.3 -18.2 -21.0 15.3 21 26 A R E -H 37 0B 71 16,-0.3 14,-0.0 -2,-0.2 192,-0.0 -0.883 11.4-143.1-128.5 161.7 -19.8 -19.4 18.4 22 27 A L E -H 36 0B 27 14,-3.1 14,-2.7 -2,-0.3 191,-0.0 -0.981 30.2-112.0-121.2 136.7 -19.4 -19.4 22.2 23 28 A P E -H 35 0B 56 0, 0.0 2,-0.7 0, 0.0 12,-0.3 -0.252 13.9-135.3 -67.4 152.8 -22.4 -19.3 24.7 24 29 A V E -H 34 0B 5 10,-2.2 9,-3.1 163,-0.1 10,-0.7 -0.971 28.3-156.4-102.8 109.6 -23.0 -16.3 26.9 25 30 A V E -H 32 0B 47 -2,-0.7 7,-0.2 7,-0.2 6,-0.1 -0.864 11.2-138.4 -96.1 122.2 -23.8 -18.1 30.3 26 31 A N > - 0 0 8 5,-3.0 4,-2.0 -2,-0.5 5,-0.2 -0.702 11.5-155.4 -76.6 118.3 -25.9 -16.2 32.8 27 32 A P T 4 S+ 0 0 0 0, 0.0 343,-2.2 0, 0.0 306,-0.2 0.676 89.8 56.2 -72.4 -16.7 -24.1 -16.9 36.2 28 33 A T T 4 S+ 0 0 14 67,-0.2 343,-0.1 341,-0.2 340,-0.1 0.823 125.7 18.4 -78.9 -38.0 -27.4 -16.3 38.2 29 34 A T T 4 S- 0 0 67 2,-0.2 340,-0.1 -3,-0.1 3,-0.1 0.499 93.2-132.4-111.0 -11.2 -29.5 -18.9 36.3 30 35 A E < + 0 0 68 -4,-2.0 2,-0.2 1,-0.2 306,-0.1 0.430 65.3 131.3 68.0 3.6 -26.7 -21.0 34.7 31 36 A A - 0 0 47 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.4 -0.556 68.5-106.4 -89.5 152.3 -28.7 -20.7 31.4 32 37 A H E +H 25 0B 132 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.637 36.4 176.2 -74.3 121.2 -27.4 -19.7 27.9 33 38 A I E - 0 0 17 -9,-3.1 -31,-1.3 -2,-0.4 2,-0.3 0.273 60.2 -35.7-112.4 6.9 -28.6 -16.1 27.2 34 39 A G E -H 24 0B 28 -10,-0.7 -10,-2.2 -33,-0.1 2,-0.3 -0.971 62.9 -96.4 163.6-167.7 -27.0 -15.5 23.9 35 40 A E E -H 23 0B 94 -32,-0.3 -30,-0.5 -2,-0.3 -14,-0.0 -0.994 16.4-159.3-144.0 151.0 -23.8 -16.2 21.8 36 41 A I E -H 22 0B 6 -14,-2.7 -14,-3.1 -2,-0.3 -30,-0.1 -0.928 39.6 -89.3-125.4 153.7 -20.5 -14.5 20.9 37 42 A P E -H 21 0B 0 0, 0.0 2,-1.1 0, 0.0 -16,-0.3 -0.311 27.5-140.3 -64.3 138.6 -18.2 -15.2 18.0 38 43 A A - 0 0 13 -18,-2.5 -18,-0.4 175,-0.1 175,-0.3 -0.791 31.9-159.3 -95.8 80.2 -15.5 -17.9 18.6 39 44 A G - 0 0 1 173,-1.7 175,-0.3 -2,-1.1 2,-0.2 -0.322 10.4-168.3 -68.3 149.0 -12.7 -16.1 16.7 40 45 A T >> - 0 0 15 178,-0.1 4,-1.8 173,-0.1 3,-1.0 -0.664 44.0 -75.9-126.0-179.1 -9.6 -17.8 15.4 41 46 A A H 3> S+ 0 0 47 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.807 126.9 56.7 -51.1 -37.1 -6.1 -16.9 14.0 42 47 A E H 3> S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.842 108.7 46.6 -61.9 -40.7 -7.7 -15.9 10.5 43 48 A D H <> S+ 0 0 12 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.864 111.8 50.9 -69.1 -38.2 -10.0 -13.4 12.3 44 49 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.912 108.9 52.3 -64.8 -43.9 -7.0 -12.1 14.3 45 50 A D H X S+ 0 0 81 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.878 110.2 47.6 -58.7 -43.3 -5.0 -11.7 11.1 46 51 A A H X S+ 0 0 34 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.862 113.1 48.3 -66.8 -38.9 -7.9 -9.7 9.5 47 52 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.934 113.7 46.1 -66.8 -47.4 -8.2 -7.4 12.6 48 53 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.908 112.7 51.1 -61.2 -45.8 -4.4 -6.8 12.7 49 54 A A H X S+ 0 0 57 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.912 110.8 48.2 -59.6 -43.4 -4.3 -6.1 8.9 50 55 A A H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.897 112.8 48.3 -62.4 -44.6 -7.2 -3.6 9.3 51 56 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.883 112.8 48.6 -63.2 -41.2 -5.4 -1.8 12.3 52 57 A R H X S+ 0 0 90 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.931 112.0 48.1 -65.6 -44.6 -2.1 -1.7 10.2 53 58 A A H X S+ 0 0 41 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.901 113.1 49.2 -65.1 -36.4 -3.9 -0.2 7.1 54 59 A A H < S+ 0 0 8 -4,-2.3 10,-0.3 2,-0.2 -1,-0.2 0.864 109.4 51.5 -70.5 -37.4 -5.7 2.4 9.4 55 60 A L H < S+ 0 0 26 -4,-2.1 9,-0.3 1,-0.2 -1,-0.2 0.921 119.3 36.0 -62.2 -45.6 -2.4 3.4 11.1 56 61 A K H >< S+ 0 0 115 -4,-2.1 3,-1.1 -5,-0.1 4,-0.4 0.635 85.9 122.1 -84.1 -21.3 -0.7 3.9 7.7 57 62 A R G ><>S- 0 0 113 -4,-1.7 3,-1.3 1,-0.2 5,-0.5 -0.187 88.7 -3.3 -50.3 133.7 -3.6 5.4 5.6 58 63 A N G > 5S- 0 0 81 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.856 131.5 -59.0 51.5 43.7 -2.9 8.9 4.1 59 64 A R G < 5S- 0 0 104 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.807 93.2 -68.6 54.7 33.6 0.6 9.0 5.9 60 65 A G G X >S+ 0 0 4 -3,-1.3 5,-3.5 -4,-0.4 3,-1.0 0.532 102.4 133.7 66.0 9.0 -1.3 8.6 9.3 61 66 A R T < 5 + 0 0 144 -3,-2.0 -3,-0.1 1,-0.2 -2,-0.1 0.726 66.1 50.1 -62.6 -25.8 -2.7 12.1 8.8 62 67 A D T 3 > - 0 0 73 0, 0.0 3,-1.6 0, 0.0 4,-1.2 -0.339 35.6-121.1 -60.3 145.6 -3.3 16.3 16.4 68 73 A G H 3> S+ 0 0 0 54,-0.3 4,-2.3 1,-0.3 55,-0.3 0.822 112.6 67.4 -53.9 -32.4 -4.3 14.8 19.8 69 74 A A H 3> S+ 0 0 40 53,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.775 97.2 52.9 -59.3 -33.0 -7.1 17.3 19.9 70 75 A V H X> S+ 0 0 59 -3,-1.6 4,-0.9 2,-0.2 3,-0.6 0.938 111.2 44.3 -70.4 -46.5 -8.8 15.5 16.9 71 76 A R H 3X S+ 0 0 4 -4,-1.2 4,-1.9 1,-0.2 3,-0.4 0.855 105.5 64.4 -66.8 -30.8 -8.7 12.0 18.7 72 77 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.841 95.7 58.2 -59.3 -36.1 -9.9 13.7 21.9 73 78 A K H < S+ 0 0 84 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.907 111.5 54.3 -65.0 -41.8 -23.5 7.6 29.8 84 89 A E H 3< S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.874 118.6 34.5 -58.7 -37.6 -26.4 7.7 27.3 85 90 A R T 3X S+ 0 0 35 -4,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.234 85.4 121.4-100.9 7.1 -26.5 3.9 27.4 86 91 A K H <> S+ 0 0 53 -3,-1.2 4,-2.8 1,-0.2 5,-0.2 0.815 71.8 45.3 -44.2 -54.4 -25.5 3.5 31.1 87 92 A P H > S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.917 118.4 43.6 -63.0 -41.2 -28.6 1.6 32.5 88 93 A E H > S+ 0 0 111 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.910 116.0 47.5 -68.0 -42.2 -28.7 -0.9 29.6 89 94 A L H X S+ 0 0 4 -4,-2.9 4,-2.5 -7,-0.2 -1,-0.2 0.897 112.8 49.0 -63.6 -42.4 -24.8 -1.3 29.7 90 95 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.912 112.1 49.3 -63.9 -41.4 -24.9 -1.8 33.5 91 96 A K H X S+ 0 0 110 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.920 112.3 47.3 -63.1 -45.6 -27.7 -4.4 33.2 92 97 A L H X S+ 0 0 22 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.903 110.2 53.5 -62.7 -42.1 -25.8 -6.3 30.4 93 98 A E H X>S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.6 0.942 111.3 45.2 -55.7 -49.3 -22.6 -6.2 32.6 94 99 A A H X5S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.856 114.6 48.8 -62.9 -39.1 -24.5 -7.8 35.5 95 100 A L H <5S+ 0 0 11 -4,-2.2 -67,-0.2 -5,-0.2 -1,-0.2 0.866 118.8 39.5 -67.2 -40.3 -26.1 -10.4 33.2 96 101 A D H <5S+ 0 0 4 -4,-2.5 -2,-0.2 -5,-0.1 -71,-0.2 0.876 131.7 18.4 -79.0 -49.7 -22.8 -11.3 31.6 97 102 A C H <5S- 0 0 3 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.645 94.4-122.3-106.0 -14.8 -20.3 -11.3 34.5 98 103 A G << + 0 0 0 -4,-1.1 -4,-0.2 -5,-0.6 -3,-0.1 0.317 57.5 142.7 96.5 -7.7 -22.5 -11.5 37.6 99 104 A K - 0 0 1 -6,-0.3 -1,-0.3 232,-0.1 -2,-0.1 -0.392 62.1 -91.3 -67.2 144.6 -21.5 -8.4 39.5 100 105 A P >> - 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.198 36.0-114.7 -53.8 146.4 -24.3 -6.5 41.4 101 106 A Y H 3> S+ 0 0 70 222,-2.5 4,-2.7 1,-0.2 5,-0.2 0.794 115.0 57.4 -50.0 -41.3 -26.0 -3.8 39.4 102 107 A D H 3> S+ 0 0 68 226,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.826 109.4 46.3 -64.5 -31.0 -24.7 -1.0 41.7 103 108 A E H <> S+ 0 0 2 -3,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.919 112.4 49.1 -72.9 -46.3 -21.1 -2.1 40.9 104 109 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.877 110.6 51.5 -61.1 -38.5 -21.8 -2.4 37.1 105 110 A A H X S+ 0 0 13 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.889 109.7 49.8 -63.3 -43.4 -23.4 1.1 37.2 106 111 A W H X S+ 0 0 144 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.921 107.7 54.1 -62.7 -44.1 -20.2 2.4 39.0 107 112 A D H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.874 106.1 52.8 -55.4 -42.8 -18.0 0.7 36.3 108 113 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.899 109.3 48.2 -65.4 -37.5 -20.0 2.6 33.5 109 114 A D H X S+ 0 0 60 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.904 113.6 47.8 -64.7 -40.9 -19.3 5.9 35.3 110 115 A D H X S+ 0 0 63 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.826 107.7 56.1 -69.4 -31.9 -15.6 4.9 35.5 111 116 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.971 112.8 41.0 -60.8 -54.9 -15.6 3.9 31.8 112 117 A A H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.881 113.9 53.9 -61.8 -40.1 -16.8 7.4 30.8 113 118 A G H X S+ 0 0 35 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.871 109.0 48.5 -59.8 -41.3 -14.4 9.0 33.3 114 119 A C H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.913 110.0 50.2 -68.5 -43.5 -11.5 7.1 31.8 115 120 A F H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.900 113.3 47.8 -62.8 -36.7 -12.3 8.1 28.2 116 121 A E H X S+ 0 0 79 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.882 110.8 50.4 -69.6 -42.5 -12.6 11.8 29.4 117 122 A Y H X S+ 0 0 27 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.925 113.3 46.0 -60.4 -46.3 -9.3 11.7 31.3 118 123 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.781 106.0 58.4 -70.4 -25.1 -7.5 10.2 28.2 119 124 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.915 108.3 47.0 -67.7 -39.8 -9.2 12.8 25.9 120 125 A D H X S+ 0 0 86 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.884 110.4 53.5 -65.1 -40.0 -7.4 15.5 28.1 121 126 A Q H X S+ 0 0 25 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.865 105.7 52.5 -62.2 -38.6 -4.2 13.4 27.9 122 127 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -54,-0.3 0.898 111.5 46.7 -65.6 -38.7 -4.4 13.5 24.0 123 128 A E H X S+ 0 0 77 -4,-1.7 4,-0.7 -55,-0.3 3,-0.4 0.897 111.3 51.3 -68.3 -39.5 -4.8 17.3 24.1 124 129 A A H X S+ 0 0 36 -4,-2.3 4,-1.0 1,-0.2 3,-0.5 0.791 100.5 65.2 -63.6 -32.5 -1.8 17.6 26.6 125 130 A L H >X S+ 0 0 2 -4,-1.7 4,-0.6 1,-0.2 3,-0.5 0.873 94.6 58.2 -60.0 -38.9 0.2 15.4 24.1 126 131 A D H >< S+ 0 0 60 -4,-0.9 3,-0.6 -3,-0.4 -1,-0.2 0.845 104.8 50.2 -58.2 -38.0 0.1 18.2 21.5 127 132 A K H 3< S+ 0 0 193 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.733 108.1 55.1 -71.3 -26.5 1.8 20.6 24.0 128 133 A R H X< S+ 0 0 70 -4,-1.0 3,-0.8 -3,-0.5 -1,-0.2 0.525 85.2 109.5 -85.0 -12.7 4.5 18.0 24.6 129 134 A Q T << S+ 0 0 55 -4,-0.6 16,-0.2 -3,-0.6 -3,-0.0 -0.399 81.1 11.3 -70.8 149.4 5.5 17.6 20.9 130 135 A N T 3 S- 0 0 80 14,-1.1 -1,-0.2 1,-0.2 15,-0.2 0.807 83.4-177.7 57.0 35.8 8.8 18.8 19.5 131 136 A S E < -I 144 0C 35 13,-1.2 13,-1.8 -3,-0.8 -1,-0.2 -0.470 24.8-120.0 -67.4 125.7 10.1 19.4 23.1 132 137 A P E -I 143 0C 117 0, 0.0 2,-0.5 0, 0.0 11,-0.3 -0.317 18.3-152.9 -67.2 151.0 13.7 20.9 23.0 133 138 A V - 0 0 25 9,-2.8 9,-0.5 837,-0.0 2,-0.3 -0.992 15.6-132.9-124.3 119.9 16.6 19.2 24.6 134 139 A S - 0 0 113 -2,-0.5 7,-0.1 820,-0.1 820,-0.0 -0.580 26.8-163.5 -72.0 129.1 19.5 21.4 25.9 135 140 A L - 0 0 32 -2,-0.3 5,-0.1 5,-0.2 7,-0.0 -0.842 28.8-125.2-114.8 153.9 22.9 20.0 24.7 136 141 A P S S+ 0 0 97 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.305 96.0 69.1 -82.5 11.7 26.5 20.7 26.0 137 142 A M > - 0 0 82 3,-0.1 3,-0.8 1,-0.1 -2,-0.2 -0.999 67.2-155.5-130.1 127.3 27.5 21.6 22.4 138 143 A E T 3 S+ 0 0 183 -2,-0.4 -1,-0.1 1,-0.2 348,-0.0 0.522 89.0 73.6 -78.2 -10.6 26.2 24.8 20.5 139 144 A T T 3 S+ 0 0 40 347,-0.1 347,-2.7 346,-0.1 348,-1.0 0.444 97.6 54.2 -82.9 -3.4 26.8 23.1 17.1 140 145 A F E < - J 0 485C 11 -3,-0.8 2,-0.3 345,-0.2 -5,-0.2 -0.947 61.0-162.7-133.0 152.9 23.8 20.8 17.6 141 146 A K E - J 0 484C 97 343,-2.1 343,-2.4 -2,-0.3 2,-0.3 -0.911 10.3-165.5-128.1 153.9 20.1 21.1 18.4 142 147 A C E + J 0 483C 8 -9,-0.5 -9,-2.8 -2,-0.3 2,-0.3 -0.990 9.3 174.5-146.4 132.7 17.7 18.3 19.7 143 148 A H E -IJ 132 482C 40 339,-1.7 339,-2.5 -2,-0.3 2,-0.4 -0.949 23.9-127.9-133.6 155.2 13.9 18.0 19.9 144 149 A L E -IJ 131 481C 12 -13,-1.8 -13,-1.2 -2,-0.3 -14,-1.1 -0.898 13.8-166.1-110.5 135.3 11.7 15.1 21.0 145 150 A R E - 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0 0 7 26,-1.6 28,-0.2 -2,-0.5 2,-0.1 -0.854 23.2-116.4-127.7 162.9 -8.3 -8.3 29.0 157 162 A P - 0 0 21 0, 0.0 3,-0.5 0, 0.0 7,-0.2 -0.452 23.9-119.9 -95.7 170.4 -10.1 -10.2 31.8 158 163 A W S S+ 0 0 29 1,-0.2 4,-0.1 -2,-0.1 -2,-0.0 0.386 89.3 89.7 -83.5 -5.9 -13.8 -10.6 32.6 159 164 A N S S+ 0 0 6 1,-0.3 -1,-0.2 2,-0.1 130,-0.1 0.809 110.2 11.0 -71.0 -29.9 -13.9 -9.0 36.1 160 165 A Y S > S- 0 0 17 -3,-0.5 4,-2.8 1,-0.1 5,-0.4 -0.787 86.6-174.6-139.4 80.4 -14.6 -5.4 35.0 161 166 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.955 78.0 25.5 -51.1 -65.0 -15.5 -6.3 31.3 162 167 A L H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.871 123.6 53.5 -68.2 -38.4 -16.0 -2.9 29.7 163 168 A L H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 107.7 48.8 -64.9 -43.4 -13.7 -1.0 32.2 164 169 A M H X S+ 0 0 5 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.906 113.5 48.0 -62.9 -38.6 -10.6 -3.3 31.7 165 170 A A H >X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.4 3,-1.1 0.938 112.0 50.2 -64.4 -44.8 -11.0 -2.9 27.9 166 171 A T H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.868 99.1 65.0 -60.0 -43.3 -11.4 1.0 28.5 167 172 A W H 3< S+ 0 0 21 -4,-2.5 301,-0.3 1,-0.2 -1,-0.3 0.752 117.1 28.5 -50.7 -32.0 -8.1 1.1 30.6 168 173 A K H S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.856 116.9 54.1 -68.9 -34.8 -4.7 5.7 26.3 172 177 A A H <>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 4,-0.4 0.929 113.8 41.1 -60.4 -48.3 -3.9 3.7 23.2 173 178 A L H ><5S+ 0 0 0 -4,-2.8 3,-1.2 2,-0.2 -1,-0.2 0.897 112.1 55.8 -66.3 -39.7 -6.3 5.8 21.0 174 179 A A H 3<5S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.882 106.4 52.3 -57.6 -40.3 -5.2 9.0 22.8 175 180 A A T 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.603 122.0-108.4 -69.2 -17.9 -1.6 8.2 21.7 176 181 A G T < 5S+ 0 0 0 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.506 72.1 140.0 95.6 7.5 -2.6 7.7 18.1 177 182 A C < - 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