==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-DEC-03 1UUF . COMPND 2 MOLECULE: ZINC-TYPE ALCOHOL DEHYDROGENASE-LIKE PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.JEUDY,J.M.CLAVERIE,C.ABERGEL . 339 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.7 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 3 0 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 . 3 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 3 A I 0 0 62 0, 0.0 17,-2.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 111.1 -40.1 10.5 19.7 2 4 A K E +A 17 0A 89 15,-0.2 127,-1.8 126,-0.1 2,-0.3 -0.433 360.0 153.4 -77.1 148.6 -38.1 13.2 21.4 3 5 A A E -AB 16 128A 2 13,-1.5 13,-2.2 125,-0.2 2,-0.4 -0.926 37.9-118.5-158.5 177.9 -34.8 14.4 20.0 4 6 A V E +A 15 0A 7 123,-2.2 2,-0.3 -2,-0.3 123,-0.2 -0.998 46.1 134.1-132.3 126.8 -32.5 17.4 19.9 5 7 A G E -A 14 0A 0 9,-2.3 9,-2.9 -2,-0.4 2,-0.3 -0.905 44.5 -99.8-156.4-175.8 -31.6 19.1 16.7 6 8 A A B -C 56 0B 0 50,-2.3 50,-2.7 -2,-0.3 7,-0.1 -0.875 4.8-159.0-119.8 151.4 -31.1 22.4 14.9 7 9 A Y S S+ 0 0 108 -2,-0.3 2,-0.3 5,-0.3 47,-0.1 0.662 82.4 7.4 -97.8 -22.0 -33.4 24.4 12.5 8 10 A S S > S- 0 0 39 3,-0.2 3,-1.2 4,-0.1 -1,-0.2 -0.954 80.2-100.8-151.9 167.4 -30.6 26.5 10.9 9 11 A A T 3 S+ 0 0 31 -2,-0.3 39,-0.0 1,-0.2 -1,-0.0 0.773 122.3 45.4 -63.9 -27.1 -26.8 26.7 11.0 10 12 A K T 3 S+ 0 0 181 2,-0.1 -1,-0.2 -3,-0.0 36,-0.1 0.396 94.6 93.3 -98.1 1.9 -26.9 29.7 13.4 11 13 A Q S < S- 0 0 82 -3,-1.2 -3,-0.2 34,-0.2 3,-0.1 -0.838 75.9-124.4-100.7 128.7 -29.5 28.1 15.7 12 14 A P - 0 0 88 0, 0.0 -5,-0.3 0, 0.0 -7,-0.1 -0.259 43.0 -83.2 -64.3 156.3 -28.4 26.2 18.8 13 15 A L + 0 0 13 -7,-0.1 -7,-0.2 -9,-0.1 304,-0.2 -0.354 59.7 173.9 -61.4 139.2 -29.6 22.6 19.2 14 16 A E E -A 5 0A 72 -9,-2.9 -9,-2.3 -3,-0.1 -11,-0.0 -0.943 36.8 -75.6-144.7 164.0 -33.0 22.5 20.8 15 17 A P E +A 4 0A 105 0, 0.0 2,-0.3 0, 0.0 -11,-0.2 -0.320 54.8 161.3 -62.6 140.9 -35.8 20.0 21.7 16 18 A M E -A 3 0A 13 -13,-2.2 -13,-1.5 -15,-0.0 2,-0.4 -0.976 35.7-121.7-160.2 148.2 -37.9 18.7 18.8 17 19 A D E +A 2 0A 131 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.755 33.1 177.1 -94.3 140.1 -40.2 15.8 18.0 18 20 A I - 0 0 15 -17,-2.4 2,-0.3 -2,-0.4 101,-0.0 -0.824 20.7-124.6-133.1 173.0 -39.4 13.6 15.1 19 21 A T - 0 0 71 -2,-0.3 2,-0.3 100,-0.1 99,-0.0 -0.848 12.5-154.8-121.3 158.8 -40.9 10.5 13.5 20 22 A R - 0 0 46 -2,-0.3 111,-0.1 111,-0.1 99,-0.0 -0.963 27.2-107.2-129.6 147.1 -39.5 7.0 12.7 21 23 A R - 0 0 74 -2,-0.3 3,-0.1 111,-0.1 97,-0.0 -0.300 41.3 -99.8 -69.4 157.1 -40.6 4.5 10.1 22 24 A E - 0 0 161 1,-0.1 -1,-0.1 7,-0.0 5,-0.0 -0.604 54.4 -89.4 -75.6 140.6 -42.4 1.4 11.3 23 25 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 46,-0.1 -0.295 45.3-150.0 -55.3 125.8 -40.0 -1.5 11.3 24 26 A G > - 0 0 20 46,-0.1 3,-1.6 -3,-0.1 46,-0.2 -0.277 38.6 -81.5 -86.7 179.7 -39.9 -3.3 8.0 25 27 A P T 3 S+ 0 0 65 0, 0.0 47,-2.4 0, 0.0 48,-0.6 0.788 133.1 34.9 -54.1 -31.0 -39.1 -7.1 7.5 26 28 A N T 3 S+ 0 0 64 46,-0.2 109,-3.2 45,-0.1 110,-0.2 0.340 100.1 111.3-105.3 6.0 -35.3 -6.5 7.8 27 29 A D E < -D 134 0C 17 -3,-1.6 43,-2.6 107,-0.3 2,-0.5 -0.484 51.8-152.9 -88.2 153.3 -35.5 -3.6 10.3 28 30 A V E -DE 133 69C 0 105,-2.4 105,-2.3 41,-0.2 2,-0.6 -0.987 11.5-147.5-122.0 123.5 -34.4 -3.4 13.9 29 31 A K E -DE 132 68C 56 39,-2.9 38,-3.3 -2,-0.5 39,-1.2 -0.849 21.3-164.1 -94.5 122.1 -36.2 -0.9 16.2 30 32 A I E -DE 131 66C 1 101,-3.0 101,-1.7 -2,-0.6 2,-0.9 -0.914 21.7-147.5-117.2 131.4 -33.7 0.4 18.8 31 33 A E E -DE 130 65C 76 34,-2.9 34,-2.1 -2,-0.4 2,-0.3 -0.841 34.0-132.7 -91.1 109.1 -34.4 2.2 22.1 32 34 A I E + E 0 64C 7 97,-1.9 32,-0.3 -2,-0.9 3,-0.1 -0.489 31.6 174.4 -71.2 125.7 -31.3 4.5 22.3 33 35 A A E + 0 0 16 30,-2.3 303,-1.4 1,-0.3 304,-0.6 0.860 66.9 2.4 -94.6 -46.7 -29.5 4.5 25.6 34 36 A Y E -FE 335 63C 57 29,-1.9 29,-2.2 301,-0.2 2,-0.4 -0.977 54.2-164.0-143.1 155.0 -26.5 6.6 24.8 35 37 A C E -FE 334 62C 0 299,-1.4 299,-3.0 -2,-0.3 27,-0.2 -0.957 19.7-134.8-143.1 121.2 -25.0 8.6 21.9 36 38 A G E -F 333 0C 0 25,-2.6 2,-0.6 -2,-0.4 24,-0.5 -0.368 21.7-122.7 -71.2 152.4 -21.5 9.8 21.7 37 39 A V - 0 0 0 295,-2.7 295,-0.5 22,-0.1 2,-0.3 -0.884 31.8-170.0-102.0 117.7 -20.8 13.4 20.5 38 40 A C >> - 0 0 10 -2,-0.6 3,-1.5 1,-0.1 4,-1.3 -0.748 34.7-120.9-107.0 152.1 -18.6 13.6 17.4 39 41 A H H 3> S+ 0 0 76 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.787 113.5 65.5 -60.7 -24.9 -17.0 16.6 15.8 40 42 A S H 3> S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.813 97.2 54.7 -67.1 -27.3 -18.9 15.6 12.7 41 43 A D H <> S+ 0 0 0 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.944 110.0 45.7 -67.8 -48.0 -22.1 16.4 14.6 42 44 A L H X S+ 0 0 17 -4,-1.3 4,-1.3 1,-0.2 5,-0.3 0.944 113.6 48.7 -58.5 -52.0 -20.8 19.9 15.4 43 45 A H H X S+ 0 0 92 -4,-2.7 4,-2.8 1,-0.2 3,-0.5 0.910 109.1 54.2 -55.7 -45.7 -19.6 20.5 11.9 44 46 A Q H < S+ 0 0 28 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.893 113.5 39.7 -58.3 -44.6 -22.9 19.4 10.4 45 47 A V H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.1 -34,-0.2 0.589 129.0 29.1 -84.8 -9.5 -25.1 21.8 12.5 46 48 A R H < S+ 0 0 83 -4,-1.3 -3,-0.2 -3,-0.5 -2,-0.2 0.739 91.0 96.8-117.3 -38.3 -22.7 24.8 12.2 47 49 A S >< - 0 0 29 -4,-2.8 3,-0.6 -5,-0.3 5,-0.3 -0.285 58.0-151.0 -59.3 136.5 -20.8 24.6 9.0 48 50 A E T 3 S+ 0 0 133 1,-0.2 3,-0.3 2,-0.1 2,-0.3 0.801 95.3 47.5 -76.7 -30.8 -22.3 26.7 6.1 49 51 A W T 3 S+ 0 0 219 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.422 77.7 101.6-110.2 55.8 -20.9 24.3 3.5 50 52 A A S < S- 0 0 21 -3,-0.6 -1,-0.2 -2,-0.3 3,-0.1 0.287 88.0-121.7-115.4 4.5 -21.9 20.9 4.9 51 53 A G - 0 0 60 -3,-0.3 2,-0.2 1,-0.2 -2,-0.1 0.845 49.4-179.0 56.2 33.0 -24.9 20.5 2.6 52 54 A T - 0 0 21 -5,-0.3 2,-0.5 -8,-0.1 -1,-0.2 -0.460 18.9-154.2 -71.7 132.2 -26.9 20.3 5.8 53 55 A V - 0 0 67 -2,-0.2 60,-0.1 -3,-0.1 -45,-0.1 -0.901 32.9 -92.9-106.1 132.5 -30.7 19.7 5.4 54 56 A Y S S+ 0 0 71 -2,-0.5 2,-0.2 -47,-0.1 -47,-0.1 -0.737 102.2 44.9-105.4 152.9 -32.9 21.0 8.2 55 57 A P S S- 0 0 39 0, 0.0 2,-0.6 0, 0.0 -48,-0.2 0.512 82.9-163.3 -66.5 150.5 -34.1 20.1 10.7 56 58 A C B -C 6 0B 2 -50,-2.7 -50,-2.3 -2,-0.2 68,-0.1 -0.938 15.5-178.6-112.2 120.4 -30.7 18.5 11.5 57 59 A V - 0 0 2 -2,-0.6 68,-3.7 66,-0.3 -52,-0.2 -0.911 17.2-168.6-117.8 99.2 -30.6 15.8 14.2 58 60 A P + 0 0 0 0, 0.0 69,-2.0 0, 0.0 -54,-0.2 0.116 31.4 109.0 -72.7-168.3 -26.9 14.7 14.6 59 61 A G + 0 0 0 67,-0.2 67,-2.9 66,-0.2 68,-0.2 0.528 17.6 167.4 101.9 114.2 -25.5 11.8 16.5 60 62 A H + 0 0 15 -24,-0.5 2,-0.1 65,-0.2 27,-0.1 0.025 58.8 86.4-148.2 35.8 -23.9 8.6 15.1 61 63 A E + 0 0 0 -25,-0.4 -25,-2.6 95,-0.1 2,-0.4 -0.677 67.9 168.8-131.5 67.7 -22.2 6.8 18.0 62 64 A I E +EG 35 84C 1 22,-2.2 22,-2.4 -27,-0.2 2,-0.3 -0.735 19.7 170.2 -97.6 133.6 -25.3 5.1 19.1 63 65 A V E +EG 34 83C 0 -29,-2.2 -30,-2.3 -2,-0.4 -29,-1.9 -0.989 21.7 118.9-136.6 144.2 -25.9 2.2 21.5 64 66 A G E -EG 32 82C 0 18,-2.5 18,-2.5 -2,-0.3 2,-0.4 -0.912 54.0 -69.2-172.6-159.3 -29.1 0.9 22.9 65 67 A R E -EG 31 81C 94 -34,-2.1 -34,-2.9 -2,-0.3 2,-0.3 -0.947 42.5-110.2-123.5 140.7 -31.5 -2.1 23.2 66 68 A V E +E 30 0C 6 14,-2.4 13,-2.5 -2,-0.4 -36,-0.2 -0.506 30.8 178.3 -69.2 127.6 -33.6 -3.8 20.6 67 69 A V E - 0 0 62 -38,-3.3 2,-0.3 1,-0.4 -37,-0.2 0.787 66.5 -12.6 -96.7 -39.2 -37.3 -3.1 21.1 68 70 A A E -E 29 0C 36 -39,-1.2 -39,-2.9 9,-0.1 -1,-0.4 -0.978 59.1-149.8-158.1 162.7 -38.6 -5.1 18.1 69 71 A V E -E 28 0C 46 -2,-0.3 -41,-0.2 -41,-0.2 -43,-0.1 -0.982 26.2-104.8-140.5 150.7 -37.4 -6.7 14.9 70 72 A G > - 0 0 9 -43,-2.6 3,-1.2 -2,-0.3 -46,-0.1 -0.218 39.6-106.1 -67.0 164.2 -38.9 -7.3 11.5 71 73 A D T 3 S+ 0 0 133 1,-0.2 -45,-0.1 3,-0.0 -1,-0.1 0.571 119.7 50.8 -70.2 -8.9 -40.0 -10.9 10.6 72 74 A Q T 3 S+ 0 0 107 -47,-2.4 -1,-0.2 -48,-0.2 2,-0.2 0.448 79.9 116.8-105.8 -3.9 -37.0 -11.3 8.3 73 75 A V < + 0 0 21 -3,-1.2 -47,-0.1 -48,-0.6 -46,-0.1 -0.484 30.9 169.0 -68.2 130.3 -34.4 -10.2 10.8 74 76 A E + 0 0 179 -2,-0.2 -1,-0.2 -48,-0.1 -48,-0.0 0.608 67.2 55.9-116.2 -19.6 -32.0 -13.1 11.7 75 77 A K S S+ 0 0 94 1,-0.0 2,-0.3 63,-0.0 -2,-0.1 0.806 104.7 44.2 -85.3 -32.6 -29.2 -11.4 13.6 76 78 A Y - 0 0 16 4,-0.0 59,-0.0 64,-0.0 -1,-0.0 -0.793 50.6-174.7-123.4 162.0 -31.2 -9.8 16.4 77 79 A A > - 0 0 46 -2,-0.3 3,-2.2 -9,-0.1 -11,-0.3 -0.966 47.6 -74.7-144.0 155.0 -33.9 -10.3 19.0 78 80 A P T 3 S+ 0 0 84 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.230 118.0 32.8 -52.1 138.2 -35.7 -8.0 21.5 79 81 A G T 3 S+ 0 0 55 -13,-2.5 -12,-0.1 1,-0.3 -3,-0.0 0.099 84.9 134.2 101.4 -22.4 -33.4 -7.4 24.5 80 82 A D < - 0 0 29 -3,-2.2 -14,-2.4 -15,-0.1 2,-0.6 -0.290 58.2-124.7 -63.2 144.6 -30.2 -7.4 22.6 81 83 A L E +G 65 0C 27 60,-0.3 60,-2.5 -16,-0.2 2,-0.3 -0.819 45.0 171.1 -89.7 124.3 -27.6 -4.7 23.2 82 84 A V E -GH 64 140C 0 -18,-2.5 -18,-2.5 -2,-0.6 2,-0.3 -0.867 23.3-151.0-134.7 167.9 -26.8 -3.1 19.9 83 85 A G E -GH 63 139C 1 56,-2.3 56,-3.1 -2,-0.3 2,-0.4 -0.945 0.9-159.5-138.6 158.5 -25.0 -0.2 18.2 84 86 A V E -G 62 0C 0 -22,-2.4 -22,-2.2 -2,-0.3 54,-0.1 -0.997 13.0-174.9-137.8 135.5 -25.3 1.9 15.1 85 87 A G - 0 0 7 52,-0.5 71,-0.2 2,-0.4 -23,-0.1 0.181 54.8 -51.4-103.5-136.8 -22.5 4.0 13.6 86 88 A C S S+ 0 0 19 69,-0.5 25,-2.2 24,-0.1 2,-0.4 0.582 114.2 71.6 -82.4 -11.6 -22.3 6.4 10.7 87 89 A I E +J 110 0D 5 23,-0.3 -2,-0.4 50,-0.1 23,-0.2 -0.913 38.5 162.2-113.3 130.8 -24.0 4.1 8.2 88 90 A V E S- 0 0 19 21,-2.6 46,-0.6 -2,-0.4 2,-0.3 0.480 73.8 -2.4-118.0 -9.8 -27.6 3.1 8.1 89 91 A D E -J 109 0D 52 20,-1.1 20,-3.1 44,-0.1 -1,-0.4 -0.978 54.3-176.8-170.8 162.7 -27.8 1.8 4.5 90 92 A S - 0 0 5 -2,-0.3 18,-0.2 18,-0.3 12,-0.1 -0.944 47.5 -93.0-156.8 172.6 -25.8 1.3 1.3 91 93 A C - 0 0 29 -2,-0.3 17,-0.1 11,-0.1 -1,-0.0 0.810 45.5-153.7 -65.8 -28.2 -26.5 0.1 -2.3 92 94 A K S S+ 0 0 72 1,-0.1 -1,-0.1 10,-0.0 10,-0.0 0.432 75.9 68.8 70.6 2.0 -25.4 -3.5 -1.3 93 95 A H S S+ 0 0 141 4,-0.0 2,-0.1 5,-0.0 -1,-0.1 0.417 71.7 94.4-131.3 3.2 -24.3 -4.5 -4.8 94 96 A C S > S- 0 0 31 1,-0.1 4,-2.5 8,-0.0 5,-0.2 -0.411 89.0 -97.9 -89.6 171.5 -21.2 -2.4 -5.7 95 97 A E H > S+ 0 0 134 1,-0.2 4,-1.1 2,-0.2 6,-0.2 0.890 122.9 50.7 -55.9 -42.1 -17.6 -3.6 -5.3 96 98 A E H >4>S+ 0 0 58 2,-0.2 5,-3.1 1,-0.2 3,-0.5 0.950 111.8 44.9 -62.8 -51.2 -17.3 -1.8 -2.0 97 99 A C H >45S+ 0 0 1 1,-0.2 3,-1.6 3,-0.2 5,-0.3 0.902 112.3 52.3 -61.0 -41.2 -20.5 -3.1 -0.4 98 100 A E H 3<5S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 108.1 52.8 -68.0 -21.7 -19.7 -6.7 -1.5 99 101 A D T <<5S- 0 0 101 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.333 123.4-103.9 -93.8 6.2 -16.2 -6.4 0.1 100 102 A G T < 5S+ 0 0 15 -3,-1.6 191,-0.5 -4,-0.1 -3,-0.2 0.777 90.5 119.0 77.5 25.4 -17.7 -5.3 3.4 101 103 A L > < + 0 0 61 -5,-3.1 3,-2.2 -6,-0.2 4,-0.2 -0.412 19.0 150.3-119.5 54.5 -16.7 -1.7 2.8 102 104 A E G > + 0 0 4 1,-0.3 3,-1.2 -5,-0.3 -5,-0.2 0.745 67.5 70.9 -57.9 -22.2 -20.2 -0.0 2.9 103 105 A N G 3 S+ 0 0 3 1,-0.3 -1,-0.3 -3,-0.2 5,-0.1 0.739 99.8 45.2 -67.3 -23.3 -18.4 3.1 4.2 104 106 A Y G < S+ 0 0 87 -3,-2.2 -1,-0.3 -8,-0.1 -2,-0.2 0.277 83.5 125.5-103.2 9.2 -16.8 3.6 0.8 105 107 A C X - 0 0 10 -3,-1.2 3,-1.3 -4,-0.2 -3,-0.0 -0.463 62.9-136.5 -67.9 137.8 -20.0 3.0 -1.2 106 108 A D T 3 S+ 0 0 141 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.699 105.5 41.4 -68.4 -17.9 -20.8 5.9 -3.5 107 109 A H T 3 S+ 0 0 137 -5,-0.1 -1,-0.3 2,-0.1 2,-0.2 -0.099 80.6 149.7-121.6 34.8 -24.4 5.7 -2.4 108 110 A M < - 0 0 43 -3,-1.3 2,-0.7 -18,-0.2 -18,-0.3 -0.466 43.0-134.8 -70.1 136.9 -24.0 5.1 1.3 109 111 A T E -J 89 0D 28 -20,-3.1 -21,-2.6 -2,-0.2 -20,-1.1 -0.859 21.0-141.4 -96.5 113.3 -26.8 6.5 3.5 110 112 A G E > -J 87 0D 10 -2,-0.7 4,-0.5 -23,-0.2 -23,-0.3 -0.400 22.0-113.0 -74.2 152.0 -25.4 8.3 6.5 111 113 A T T 4 S+ 0 0 2 -25,-2.2 2,-0.3 1,-0.1 -1,-0.1 0.784 103.7 21.4 -53.8 -30.0 -27.0 8.0 9.9 112 114 A Y T 4 S+ 0 0 13 -26,-0.3 12,-0.2 12,-0.1 -1,-0.1 -0.997 121.1 19.7-143.2 146.9 -27.9 11.7 9.5 113 115 A N T 4 S+ 0 0 30 10,-2.3 -2,-0.1 -2,-0.3 11,-0.1 0.527 86.5 119.0 78.7 11.9 -28.3 14.2 6.6 114 116 A S S < S- 0 0 25 -4,-0.5 9,-2.4 1,-0.1 -1,-0.2 -0.814 71.3 -97.2-108.6 149.2 -28.7 11.6 3.8 115 117 A P B +K 122 0E 109 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 -0.339 51.2 162.7 -63.2 141.8 -31.8 11.2 1.5 116 118 A T - 0 0 28 5,-1.9 5,-0.0 2,-0.2 0, 0.0 -0.986 50.1-120.8-156.2 152.5 -34.3 8.6 2.6 117 119 A P S S+ 0 0 128 0, 0.0 5,-0.1 0, 0.0 2,-0.1 0.764 87.9 98.7 -68.3 -21.8 -37.9 7.6 1.8 118 120 A D S > S- 0 0 40 1,-0.1 3,-2.6 3,-0.1 -2,-0.2 -0.365 87.7 -65.4 -66.2 142.2 -38.6 8.1 5.5 119 121 A E T 3 S+ 0 0 147 1,-0.3 -100,-0.1 2,-0.2 -1,-0.1 -0.393 120.1 28.3 -64.4 145.7 -40.1 11.4 6.6 120 122 A P T 3 S- 0 0 70 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.847 106.8-107.6 -92.9 27.7 -39.0 14.1 6.5 121 123 A G S < S+ 0 0 36 -3,-2.6 -5,-1.9 1,-0.2 2,-0.3 0.209 92.8 62.8 110.7 -18.8 -36.8 13.1 3.5 122 124 A H B S-K 115 0E 14 -7,-0.3 -1,-0.2 -4,-0.1 2,-0.1 -0.974 91.1 -89.9-138.4 152.8 -33.4 13.0 5.1 123 125 A T - 0 0 16 -9,-2.4 -10,-2.3 -2,-0.3 2,-0.5 -0.338 30.9-150.6 -67.8 139.7 -32.0 10.8 7.9 124 126 A L - 0 0 7 -12,-0.2 -12,-0.1 1,-0.1 -68,-0.1 -0.945 21.7-138.5-111.2 129.8 -32.2 11.9 11.5 125 127 A G - 0 0 0 -68,-3.7 -66,-0.2 -2,-0.5 -65,-0.2 0.345 30.8 -69.6 -75.6-159.3 -29.5 10.8 13.9 126 128 A G S S+ 0 0 0 -67,-2.9 2,-2.1 1,-0.2 -67,-0.2 0.392 95.2 98.1 -78.8 -1.2 -28.9 9.5 17.4 127 129 A Y S S+ 0 0 3 -69,-2.0 -123,-2.2 -68,-0.2 2,-0.3 -0.309 80.9 81.8 -80.5 53.9 -29.7 12.6 19.4 128 130 A S B S-B 3 0A 0 -2,-2.1 -125,-0.2 -125,-0.2 3,-0.1 -0.918 90.1-109.3-149.7 173.4 -33.1 10.9 19.8 129 131 A Q S S+ 0 0 38 -127,-1.8 -97,-1.9 -2,-0.3 2,-0.3 0.785 95.6 14.2 -79.4 -31.2 -35.0 8.3 21.8 130 132 A Q E -D 31 0C 37 -128,-0.2 2,-0.3 -99,-0.2 -99,-0.2 -0.968 55.7-173.3-144.9 159.0 -35.3 5.7 19.1 131 133 A I E -D 30 0C 5 -101,-1.7 -101,-3.0 -2,-0.3 2,-0.5 -0.982 14.8-145.7-150.9 148.3 -34.0 4.7 15.6 132 134 A V E +D 29 0C 10 -2,-0.3 2,-0.4 -103,-0.2 -103,-0.2 -0.984 25.6 173.6-121.8 122.1 -34.9 2.1 13.1 133 135 A V E -D 28 0C 0 -105,-2.3 -105,-2.4 -2,-0.5 -44,-0.1 -0.978 39.4-104.2-134.9 143.5 -32.1 0.5 11.0 134 136 A H E > -D 27 0C 39 -46,-0.6 3,-2.2 -2,-0.4 -107,-0.3 -0.404 40.9-120.3 -58.8 133.3 -31.8 -2.4 8.5 135 137 A E G > S+ 0 0 18 -109,-3.2 3,-1.3 1,-0.3 -1,-0.1 0.701 107.0 72.2 -55.3 -22.0 -30.2 -5.2 10.4 136 138 A R G 3 S+ 0 0 70 1,-0.3 -1,-0.3 -110,-0.2 -47,-0.1 0.805 104.3 41.3 -64.0 -24.9 -27.2 -5.3 8.1 137 139 A Y G < S+ 0 0 0 -3,-2.2 -52,-0.5 -49,-0.2 2,-0.4 0.279 94.0 97.0-106.5 10.7 -26.0 -2.1 9.6 138 140 A V < - 0 0 0 -3,-1.3 2,-0.3 -4,-0.2 -54,-0.2 -0.863 61.5-149.5-102.3 134.5 -26.8 -2.8 13.2 139 141 A L E -H 83 0C 2 -56,-3.1 -56,-2.3 -2,-0.4 2,-0.5 -0.725 11.3-123.9-103.7 152.9 -23.9 -4.1 15.4 140 142 A R E -H 82 0C 57 -2,-0.3 2,-0.5 -58,-0.2 -58,-0.2 -0.833 18.9-145.1 -98.6 128.7 -24.0 -6.4 18.4 141 143 A I + 0 0 5 -60,-2.5 -60,-0.3 -2,-0.5 156,-0.1 -0.815 19.7 176.4 -94.2 128.0 -22.5 -5.2 21.7 142 144 A R + 0 0 148 -2,-0.5 -1,-0.1 154,-0.2 3,-0.1 0.428 46.5 107.6-108.5 -5.1 -20.8 -7.8 23.8 143 145 A H S S- 0 0 6 1,-0.1 157,-0.1 2,-0.1 5,-0.1 -0.320 87.2 -86.2 -68.5 157.9 -19.5 -5.6 26.6 144 146 A P > - 0 0 78 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.379 40.6-114.3 -64.2 147.0 -21.3 -5.8 30.0 145 147 A Q G > S+ 0 0 126 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.792 112.8 68.5 -54.8 -29.7 -24.4 -3.6 30.1 146 148 A E G 3 S+ 0 0 177 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.703 100.4 50.3 -63.9 -17.3 -22.8 -1.4 32.8 147 149 A Q G <> S+ 0 0 56 -3,-2.3 4,-1.2 1,-0.1 3,-0.4 0.322 75.2 111.1-102.7 7.6 -20.3 -0.2 30.1 148 150 A L H X> S+ 0 0 2 -3,-1.8 4,-1.3 1,-0.2 3,-0.7 0.869 76.3 50.7 -48.2 -49.4 -22.8 0.7 27.4 149 151 A A H 34 S+ 0 0 9 -4,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.889 110.4 49.3 -59.1 -41.6 -22.2 4.5 27.6 150 152 A A H 34 S+ 0 0 16 -3,-0.4 156,-2.6 1,-0.2 -1,-0.3 0.665 107.0 57.1 -73.0 -16.9 -18.4 4.0 27.3 151 153 A V H XX S+ 0 0 0 -4,-1.2 3,-2.0 -3,-0.7 4,-0.5 0.780 86.0 83.0 -81.8 -28.5 -18.9 1.8 24.3 152 154 A A G >< S+ 0 0 0 -4,-1.3 3,-1.9 -3,-0.3 4,-0.2 0.859 84.4 54.0 -43.3 -54.5 -20.9 4.4 22.4 153 155 A P G >>>S+ 0 0 0 0, 0.0 5,-2.1 0, 0.0 3,-1.4 0.701 92.8 74.2 -59.1 -18.3 -17.8 6.3 21.0 154 156 A L G <4>S+ 0 0 0 -3,-2.0 5,-2.0 1,-0.3 -2,-0.2 0.839 80.5 73.4 -63.7 -29.5 -16.5 3.1 19.5 155 157 A L G <<5S- 0 0 2 -3,-1.9 -69,-0.5 -4,-0.5 -1,-0.3 0.625 124.5 -4.8 -61.7 -15.9 -19.1 3.3 16.8 156 158 A C T <>5S+ 0 0 8 -3,-1.4 4,-3.0 -4,-0.2 5,-0.2 0.391 138.7 43.3-138.0 -66.0 -17.3 6.2 15.1 157 159 A A H X5S+ 0 0 0 -4,-0.7 4,-1.0 1,-0.2 -3,-0.2 0.908 120.0 48.1 -53.8 -42.3 -14.2 7.4 16.9 158 160 A G H >> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.861 112.0 57.7 -68.4 -31.8 -6.6 2.1 9.4 165 167 A L H <>S+ 0 0 0 -4,-1.7 5,-3.5 1,-0.2 -2,-0.2 0.918 113.9 39.8 -62.3 -40.4 -4.6 0.5 12.3 166 168 A R H ><5S+ 0 0 82 -4,-2.3 3,-1.8 3,-0.2 -1,-0.2 0.916 113.3 54.2 -73.3 -43.7 -5.7 -2.9 10.9 167 169 A H H 3<5S+ 0 0 134 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.890 113.7 41.2 -59.2 -40.6 -5.4 -1.9 7.2 168 170 A W T 3<5S- 0 0 67 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.123 118.0-116.6 -95.6 22.1 -1.7 -0.8 7.7 169 171 A Q T < 5 - 0 0 137 -3,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.814 38.1-171.2 49.1 51.7 -1.2 -3.9 9.9 170 172 A A < + 0 0 8 -5,-3.5 -1,-0.2 -6,-0.2 27,-0.1 -0.459 34.8 104.0 -67.6 139.4 -0.4 -2.3 13.3 171 173 A G > - 0 0 7 -2,-0.1 3,-2.0 25,-0.1 27,-0.3 -0.984 68.3 -14.3 172.2-170.8 0.8 -5.0 15.7 172 174 A P T 3 S+ 0 0 108 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.219 125.6 22.3 -52.7 137.5 3.8 -6.6 17.5 173 175 A G T 3 S+ 0 0 81 23,-0.4 2,-0.4 1,-0.3 24,-0.1 0.421 101.1 109.7 85.8 -3.0 7.1 -5.5 16.0 174 176 A K < - 0 0 63 -3,-2.0 24,-2.7 22,-0.2 2,-0.7 -0.881 61.4-143.1-109.5 139.7 5.6 -2.4 14.5 175 177 A K E -l 198 0F 38 -2,-0.4 62,-2.1 22,-0.2 63,-1.4 -0.900 27.9-174.4-101.3 114.3 6.4 1.2 15.6 176 178 A V E -lm 199 238F 0 22,-2.8 24,-2.6 -2,-0.7 2,-0.3 -0.923 12.3-155.0-117.3 134.9 3.1 3.2 15.3 177 179 A G E -lm 200 239F 0 61,-2.4 63,-3.4 -2,-0.4 2,-0.5 -0.809 2.0-163.5-106.9 146.8 2.6 6.8 15.9 178 180 A V E -lm 201 240F 0 22,-2.5 24,-2.6 -2,-0.3 2,-0.6 -0.983 9.2-155.9-129.1 118.2 -0.7 8.5 16.9 179 181 A V E +lm 202 241F 8 61,-2.8 63,-2.4 -2,-0.5 64,-0.3 -0.848 60.1 28.7 -99.0 124.1 -0.9 12.2 16.3 180 182 A G - 0 0 13 22,-2.5 22,-0.1 -2,-0.6 23,-0.1 0.212 59.8-137.2 103.9 135.2 -3.4 14.1 18.5 181 183 A I + 0 0 4 4,-0.1 -1,-0.1 20,-0.1 2,-0.1 -0.339 67.3 101.0-120.6 49.8 -4.8 13.4 22.0 182 184 A G S > S- 0 0 31 147,-0.1 4,-3.0 149,-0.0 5,-0.3 -0.123 95.2 -53.8-109.6-151.4 -8.5 14.1 21.5 183 185 A G H > S+ 0 0 10 2,-0.2 4,-1.0 1,-0.2 124,-0.1 0.931 140.7 34.1 -55.3 -50.2 -11.5 12.0 20.9 184 186 A L H > S+ 0 0 33 58,-0.2 4,-2.3 2,-0.2 3,-0.3 0.919 117.9 54.4 -71.4 -45.8 -10.0 10.1 18.0 185 187 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.897 104.1 52.8 -57.0 -45.0 -6.4 10.3 19.4 186 188 A H H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.867 112.2 46.4 -63.5 -31.9 -7.3 8.7 22.7 187 189 A M H X S+ 0 0 0 -4,-1.0 4,-2.8 -5,-0.3 5,-0.3 0.868 109.1 55.2 -75.7 -35.9 -8.9 5.7 20.9 188 190 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.906 111.0 44.7 -62.5 -40.6 -6.0 5.4 18.5 189 191 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.953 114.0 48.7 -67.9 -49.8 -3.6 5.1 21.4 190 192 A K H X S+ 0 0 39 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.923 118.0 40.8 -54.9 -48.0 -5.8 2.6 23.3 191 193 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.903 113.1 50.7 -71.4 -43.0 -6.3 0.5 20.2 192 194 A A H <>S+ 0 0 0 -4,-2.5 5,-1.9 -5,-0.3 4,-0.3 0.894 113.4 48.6 -62.0 -38.1 -2.8 0.6 18.8 193 195 A H H ><5S+ 0 0 94 -4,-2.4 3,-1.5 -5,-0.2 -2,-0.2 0.928 110.4 49.8 -66.1 -45.3 -1.6 -0.4 22.3 194 196 A A H 3<5S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.797 104.6 59.4 -64.4 -29.3 -4.1 -3.3 22.5 195 197 A M T 3<5S- 0 0 15 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.562 119.4-111.6 -76.1 -9.1 -3.0 -4.5 19.1 196 198 A G T < 5 + 0 0 37 -3,-1.5 -23,-0.4 -4,-0.3 -3,-0.2 0.558 67.9 140.6 92.8 8.4 0.5 -4.9 20.5 197 199 A A < - 0 0 5 -5,-1.9 2,-0.8 -25,-0.2 -1,-0.2 -0.364 62.7-107.3 -80.8 162.5 2.3 -2.2 18.6 198 200 A H E -l 175 0F 75 -24,-2.7 -22,-2.8 -27,-0.3 2,-0.5 -0.850 47.7-151.0 -87.7 115.0 5.0 0.1 20.1 199 201 A V E -l 176 0F 0 -2,-0.8 19,-1.9 17,-0.3 20,-1.8 -0.804 21.7-173.7-102.7 129.1 3.0 3.3 20.4 200 202 A V E -ln 177 219F 0 -24,-2.6 -22,-2.5 -2,-0.5 2,-0.4 -0.974 13.6-155.5-116.8 120.0 4.4 6.8 20.2 201 203 A A E -ln 178 220F 0 18,-2.6 20,-2.8 -2,-0.5 2,-0.5 -0.782 4.4-151.9 -96.8 141.1 1.9 9.6 20.9 202 204 A F E +ln 179 221F 1 -24,-2.6 -22,-2.5 -2,-0.4 2,-0.3 -0.947 18.3 170.7-115.9 130.9 2.4 13.1 19.5 203 205 A T E - n 0 222F 7 18,-2.6 20,-2.6 -2,-0.5 21,-0.4 -0.883 34.5-139.5-131.5 162.9 1.1 16.3 21.1 204 206 A T S S+ 0 0 93 -2,-0.3 2,-0.3 18,-0.2 18,-0.1 0.364 86.7 49.4-103.4 3.0 1.7 20.0 20.6 205 207 A S S > S- 0 0 45 1,-0.1 3,-1.0 18,-0.0 4,-0.2 -0.998 73.0-132.8-144.1 145.6 1.8 20.9 24.3 206 208 A E G > S+ 0 0 97 -2,-0.3 3,-1.5 1,-0.2 4,-0.5 0.743 98.2 78.6 -65.5 -23.3 3.5 19.5 27.4 207 209 A A G 3 S+ 0 0 90 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.811 95.9 42.4 -56.9 -34.0 0.2 19.6 29.2 208 210 A K G <> S+ 0 0 60 -3,-1.0 4,-2.1 1,-0.2 -1,-0.3 0.344 85.3 97.6 -98.6 8.4 -1.1 16.4 27.6 209 211 A R H <> S+ 0 0 51 -3,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.945 88.1 42.1 -61.4 -50.5 2.2 14.4 27.9 210 212 A E H > S+ 0 0 143 -4,-0.5 4,-2.5 -3,-0.2 -1,-0.2 0.888 112.1 56.5 -63.9 -37.9 1.2 12.6 31.1 211 213 A A H > S+ 0 0 26 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.884 105.6 50.6 -60.2 -40.8 -2.3 12.0 29.7 212 214 A A H X>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 4,-0.6 0.890 109.6 50.6 -65.1 -40.8 -0.9 10.3 26.6 213 215 A K H ><5S+ 0 0 95 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.940 107.9 53.5 -60.5 -47.7 1.2 8.0 28.8 214 216 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 102.8 58.4 -58.3 -31.0 -1.9 7.2 30.9 215 217 A L H 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.656 130.5 -88.3 -75.4 -17.1 -3.8 6.2 27.7 216 218 A G T <<5S+ 0 0 16 -3,-1.5 -17,-0.3 -4,-0.6 2,-0.2 0.487 73.4 149.8 123.5 5.9 -1.2 3.5 26.8 217 219 A A < - 0 0 7 -5,-1.9 -1,-0.3 1,-0.2 -17,-0.2 -0.525 35.7-155.0 -71.9 135.0 1.5 5.3 24.8 218 220 A D S S+ 0 0 68 -19,-1.9 2,-0.3 -2,-0.2 -18,-0.2 0.795 82.1 13.8 -77.8 -30.2 4.9 3.8 25.3 219 221 A E E -n 200 0F 67 -20,-1.8 -18,-2.6 -7,-0.1 2,-0.4 -0.972 69.1-152.2-142.4 154.3 6.5 7.1 24.4 220 222 A V E -n 201 0F 13 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.992 8.1-168.1-132.5 138.6 5.3 10.6 24.0 221 223 A V E -n 202 0F 2 -20,-2.8 -18,-2.6 -2,-0.4 2,-0.9 -0.987 20.7-140.6-128.7 134.4 6.7 13.4 21.8 222 224 A N E > -n 203 0F 9 -2,-0.4 3,-2.5 -20,-0.2 7,-0.3 -0.847 18.6-152.5 -90.2 107.7 5.9 17.1 21.8 223 225 A S T 3 S+ 0 0 24 -20,-2.6 -19,-0.2 -2,-0.9 -1,-0.1 0.591 90.1 65.9 -60.3 -9.9 5.9 17.7 18.0 224 226 A R T 3 S+ 0 0 196 -21,-0.4 2,-0.8 1,-0.1 -1,-0.3 0.527 85.0 81.8 -88.4 -6.8 6.9 21.3 18.6 225 227 A N X> - 0 0 62 -3,-2.5 4,-2.1 1,-0.2 3,-0.6 -0.856 64.6-162.4-104.0 103.3 10.3 20.2 20.0 226 228 A A H 3> S+ 0 0 76 -2,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.812 89.5 56.7 -50.6 -37.9 12.7 19.5 17.1 227 229 A D H 3> S+ 0 0 142 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.908 107.8 46.8 -64.3 -42.4 15.0 17.5 19.3 228 230 A E H <4 S+ 0 0 52 -3,-0.6 3,-0.3 -6,-0.2 4,-0.2 0.910 114.7 47.2 -66.0 -41.7 12.2 15.1 20.4 229 231 A M H >< S+ 0 0 13 -4,-2.1 3,-2.2 -7,-0.3 -2,-0.2 0.924 106.2 57.8 -65.0 -44.9 11.1 14.7 16.8 230 232 A A H >< S+ 0 0 67 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.781 93.4 68.3 -57.3 -29.2 14.6 14.1 15.5 231 233 A A T 3< S+ 0 0 81 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.623 102.9 46.1 -67.7 -11.3 15.0 11.2 17.8 232 234 A H T X S+ 0 0 13 -3,-2.2 3,-1.2 -4,-0.2 4,-0.3 0.139 78.4 151.7-117.4 18.3 12.5 9.3 15.8 233 235 A L T < S- 0 0 94 -3,-1.5 22,-0.3 1,-0.3 21,-0.1 -0.208 75.8 -8.8 -52.6 136.5 13.7 10.0 12.3 234 236 A K T 3 S+ 0 0 109 20,-2.5 -1,-0.3 22,-0.1 22,-0.2 0.833 105.6 111.0 40.9 50.4 12.9 7.3 9.7 235 237 A S < + 0 0 30 20,-1.8 2,-0.4 -3,-1.2 21,-0.2 0.546 42.5 96.1-127.0 -10.9 11.6 4.9 12.4 236 238 A F E - o 0 256F 0 19,-3.0 21,-3.2 -4,-0.3 -60,-0.2 -0.692 43.9-168.5 -92.8 136.8 7.8 4.6 12.0 237 239 A D E S+ 0 0 41 -62,-2.1 24,-1.2 -2,-0.4 2,-0.3 0.854 83.7 2.0 -81.0 -37.9 6.1 1.8 10.1 238 240 A F E -mo 176 261F 2 -63,-1.4 -61,-2.4 22,-0.2 2,-0.4 -0.996 60.4-160.6-152.5 142.0 2.8 3.7 10.3 239 241 A I E -mo 177 262F 0 22,-2.0 24,-2.5 -2,-0.3 2,-0.7 -0.987 7.0-158.0-129.1 123.4 1.6 7.0 11.6 240 242 A L E -mo 178 263F 0 -63,-3.4 -61,-2.8 -2,-0.4 2,-0.7 -0.885 10.5-162.3-101.0 110.5 -2.1 7.7 12.3 241 243 A N E +mo 179 264F 1 22,-2.7 24,-2.4 -2,-0.7 25,-1.0 -0.850 18.5 167.9 -99.0 113.0 -2.8 11.4 12.3 242 244 A T + 0 0 12 -63,-2.4 25,-0.3 -2,-0.7 -58,-0.2 0.398 32.4 124.2-102.9 -0.0 -6.1 12.3 14.0 243 245 A V - 0 0 54 -64,-0.3 23,-0.3 23,-0.2 22,-0.1 -0.401 58.8-139.1 -65.8 136.1 -5.6 16.1 14.3 244 246 A A S S+ 0 0 63 1,-0.3 -1,-0.1 22,-0.1 -3,-0.0 0.948 100.7 24.1 -59.0 -53.8 -8.5 18.1 12.7 245 247 A A S S- 0 0 63 -3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 -0.682 90.5-160.0-114.9 75.2 -6.2 20.7 11.1 246 248 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.295 10.4-171.9 -59.7 132.0 -2.9 18.8 10.9 247 249 A H + 0 0 137 1,-0.2 -4,-0.1 2,-0.1 -2,-0.0 -0.791 57.8 27.5-121.6 165.9 0.2 21.0 10.5 248 250 A N >> + 0 0 106 -2,-0.3 4,-1.3 1,-0.1 3,-0.6 0.866 60.6 162.7 51.6 44.1 3.9 20.3 9.8 249 251 A L H 3> S+ 0 0 28 1,-0.2 4,-2.2 -3,-0.2 5,-0.1 0.745 70.2 66.0 -63.0 -21.7 3.1 17.1 7.9 250 252 A D H 3> S+ 0 0 58 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 97.6 51.9 -65.2 -43.7 6.6 17.4 6.5 251 253 A D H <4 S+ 0 0 70 -3,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.894 112.5 45.5 -60.0 -41.4 8.1 16.8 9.9 252 254 A F H >< S+ 0 0 7 -4,-1.3 3,-1.4 1,-0.2 4,-0.4 0.865 105.5 59.2 -71.8 -36.6 6.0 13.6 10.3 253 255 A T H >< S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.899 101.7 55.5 -59.7 -38.1 6.7 12.3 6.8 254 256 A T T 3< S+ 0 0 33 -4,-1.7 -20,-2.5 1,-0.3 -1,-0.3 0.640 98.5 63.6 -70.4 -11.5 10.4 12.3 7.7 255 257 A L T < S+ 0 0 3 -3,-1.4 -19,-3.0 -4,-0.3 -20,-1.8 0.536 85.2 98.8 -87.2 -8.1 9.6 10.1 10.7 256 258 A L E < S-o 236 0F 0 -3,-1.6 -19,-0.2 -4,-0.4 -22,-0.1 -0.587 72.3-127.6 -83.6 141.8 8.4 7.3 8.4 257 259 A K E > - 0 0 84 -21,-3.2 3,-2.2 -2,-0.3 -22,-0.1 -0.230 52.1 -65.6 -74.5 172.4 10.5 4.3 7.4 258 260 A R E 3 S+ 0 0 159 1,-0.3 20,-0.2 -24,-0.2 -1,-0.2 -0.387 129.6 14.3 -60.2 138.0 11.0 3.4 3.8 259 261 A D E 3 S+ 0 0 69 18,-2.4 -1,-0.3 1,-0.2 20,-0.2 0.601 100.0 143.5 68.0 13.9 7.6 2.2 2.4 260 262 A G E < - 0 0 4 -3,-2.2 20,-1.8 17,-0.3 2,-0.4 -0.412 36.1-150.2 -81.8 160.6 6.0 3.7 5.5 261 263 A T E -op 238 280F 17 -24,-1.2 -22,-2.0 18,-0.2 2,-0.5 -0.979 12.3-157.1-135.0 144.4 2.6 5.5 5.4 262 264 A M E -op 239 281F 0 18,-2.2 20,-2.4 -2,-0.4 2,-0.5 -0.991 19.5-161.5-117.3 122.8 0.9 8.3 7.4 263 265 A T E -op 240 282F 0 -24,-2.5 -22,-2.7 -2,-0.5 2,-0.4 -0.915 5.9-146.5-110.6 132.1 -2.8 8.1 7.2 264 266 A L E +op 241 283F 50 18,-2.8 20,-1.3 -2,-0.5 -22,-0.2 -0.782 28.2 158.9 -96.7 135.8 -5.0 11.1 8.1 265 267 A V + 0 0 18 -24,-2.4 -23,-0.2 -2,-0.4 21,-0.2 0.424 39.2 110.1-131.4 -7.1 -8.4 10.6 9.7 266 268 A G 0 0 19 -25,-1.0 -23,-0.2 -23,-0.3 -22,-0.1 -0.268 360.0 360.0 -69.2 160.1 -9.2 13.9 11.3 267 269 A A 0 0 107 -25,-0.3 -1,-0.1 -22,-0.0 -24,-0.0 0.895 360.0 360.0 -59.8 360.0 -11.9 16.2 9.9 268 ! 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 0.0 269 277 A P 0 0 99 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 98.7 3.9 17.9 2.2 270 278 A E >> - 0 0 118 1,-0.2 3,-1.1 2,-0.1 4,-0.8 -0.365 360.0-150.3 -57.6 113.8 7.3 18.1 0.6 271 279 A V H >> S+ 0 0 89 -2,-0.3 4,-2.6 1,-0.3 3,-0.9 0.833 91.8 70.6 -55.6 -34.5 7.3 15.7 -2.3 272 280 A F H 3> S+ 0 0 125 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.886 96.3 50.7 -49.6 -45.5 11.0 15.2 -1.9 273 281 A N H <4 S+ 0 0 31 -3,-1.1 4,-0.5 1,-0.2 -1,-0.3 0.768 110.3 49.0 -68.4 -25.9 10.4 13.3 1.4 274 282 A L H XX>S+ 0 0 44 -3,-0.9 5,-2.1 -4,-0.8 4,-0.6 0.909 114.2 45.5 -77.9 -43.1 7.9 11.0 -0.2 275 283 A I H ><5S+ 0 0 123 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.919 103.3 61.6 -64.9 -47.5 10.2 10.2 -3.1 276 284 A M T 3<5S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.699 124.1 17.0 -55.4 -24.5 13.4 9.6 -1.2 277 285 A K T <45S- 0 0 75 -3,-0.5 -18,-2.4 -4,-0.5 -17,-0.3 0.200 103.7-110.3-136.2 17.5 11.9 6.7 0.8 278 286 A R T <<5 + 0 0 172 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.2 0.935 62.8 162.0 49.6 52.4 8.8 5.6 -1.2 279 287 A R < - 0 0 18 -5,-2.1 2,-0.3 -6,-0.2 -18,-0.2 -0.518 22.3-152.9 -95.7 167.5 6.6 6.9 1.6 280 288 A A E -p 261 0F 42 -20,-1.8 -18,-2.2 -2,-0.2 2,-0.5 -0.981 14.8-147.4-144.0 154.5 2.9 7.7 1.2 281 289 A I E +p 262 0F 55 -2,-0.3 2,-0.2 -20,-0.2 -18,-0.2 -0.989 32.5 170.8-118.8 128.3 0.2 9.9 2.7 282 290 A A E -p 263 0F 31 -20,-2.4 -18,-2.8 -2,-0.5 2,-0.3 -0.767 22.5-137.8-131.4 176.4 -3.2 8.3 2.8 283 291 A G E -p 264 0F 51 -20,-0.3 2,-0.3 -2,-0.2 -18,-0.2 -0.878 15.5-178.4-131.8 165.3 -6.7 8.9 4.1 284 292 A S - 0 0 19 -20,-1.3 2,-0.4 -2,-0.3 3,-0.1 -0.963 9.5-157.1-162.0 145.8 -9.3 6.7 5.7 285 293 A M - 0 0 89 -2,-0.3 -182,-0.1 1,-0.1 -19,-0.1 -0.997 51.4 -56.4-135.8 135.7 -12.8 7.2 7.1 286 294 A I S S- 0 0 14 -2,-0.4 2,-0.3 -21,-0.2 -123,-0.1 0.051 73.6 -97.7 34.9-135.6 -14.7 5.0 9.6 287 295 A G - 0 0 2 -124,-0.1 -186,-0.1 -3,-0.1 -127,-0.1 -0.973 28.9 -87.0-166.1 165.5 -15.0 1.4 8.6 288 296 A G > - 0 0 0 -2,-0.3 4,-1.7 -188,-0.1 -187,-0.2 -0.216 47.9-102.3 -73.3 173.1 -17.3 -1.1 6.9 289 297 A I H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.948 117.4 54.2 -65.9 -48.7 -19.9 -3.0 9.0 290 298 A P H > S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.906 112.8 44.1 -52.1 -43.9 -18.0 -6.3 9.2 291 299 A E H > S+ 0 0 40 -191,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.831 108.8 56.8 -71.5 -31.6 -14.9 -4.6 10.6 292 300 A T H X S+ 0 0 7 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.905 109.7 46.7 -64.6 -38.9 -17.0 -2.5 13.0 293 301 A Q H X S+ 0 0 36 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.907 110.7 51.7 -67.5 -41.2 -18.4 -5.7 14.4 294 302 A E H X S+ 0 0 93 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.914 109.7 50.8 -60.1 -43.3 -14.9 -7.2 14.6 295 303 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.921 109.1 49.7 -61.0 -46.4 -13.7 -4.1 16.5 296 304 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.901 112.6 47.2 -61.0 -41.1 -16.6 -4.3 19.0 297 305 A D H X S+ 0 0 64 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.929 113.1 49.1 -65.0 -45.7 -15.8 -8.0 19.6 298 306 A F H X S+ 0 0 22 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.921 112.9 47.1 -58.6 -47.6 -12.1 -7.3 20.0 299 307 A C H X>S+ 0 0 0 -4,-3.0 5,-2.4 2,-0.2 4,-0.8 0.866 111.0 52.1 -65.5 -35.4 -12.9 -4.4 22.4 300 308 A A H ><5S+ 0 0 26 -4,-2.2 3,-0.6 -5,-0.2 -2,-0.2 0.938 111.1 46.5 -66.9 -44.7 -15.3 -6.6 24.4 301 309 A E H 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.809 119.6 40.7 -67.5 -28.7 -12.8 -9.3 24.8 302 310 A H H 3<5S- 0 0 96 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.417 108.7-119.4 -99.4 0.0 -10.0 -6.9 25.8 303 311 A G T <<5 + 0 0 45 -4,-0.8 2,-0.5 -3,-0.6 -3,-0.2 0.823 55.6 160.9 66.5 32.4 -12.2 -4.7 28.0 304 312 A I < + 0 0 18 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.753 3.3 152.4 -92.4 128.3 -11.6 -1.6 25.9 305 313 A V - 0 0 22 -2,-0.5 -154,-0.2 -152,-0.0 2,-0.2 -0.908 44.7 -93.6-143.2 168.8 -14.0 1.3 26.1 306 314 A A - 0 0 2 -156,-2.6 2,-0.7 -2,-0.3 -154,-0.1 -0.505 34.9-116.2 -84.5 155.7 -13.8 5.1 25.6 307 315 A D - 0 0 56 -2,-0.2 24,-1.0 -124,-0.1 2,-0.2 -0.857 51.9-178.9 -91.1 118.9 -13.0 7.5 28.4 308 316 A I E -i 331 0C 49 -2,-0.7 2,-0.4 22,-0.2 24,-0.2 -0.744 38.3-147.3-125.8 168.2 -16.2 9.6 28.6 309 317 A E E -i 332 0C 68 22,-2.1 24,-2.0 -2,-0.2 2,-0.2 -0.972 29.7-138.4-131.0 112.5 -18.0 12.4 30.3 310 318 A M E +i 333 0C 88 -2,-0.4 2,-0.3 22,-0.2 24,-0.2 -0.515 27.1 178.3 -75.4 137.1 -21.8 11.8 30.5 311 319 A I E -i 334 0C 13 22,-2.3 24,-2.4 -2,-0.2 27,-0.2 -0.887 30.3-103.3-134.6 165.7 -24.0 14.8 29.7 312 320 A R > - 0 0 121 -2,-0.3 3,-1.8 22,-0.2 24,-0.1 -0.499 36.4-111.9 -83.7 160.0 -27.7 15.6 29.5 313 321 A A G > S+ 0 0 5 22,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.776 117.8 57.4 -63.9 -25.2 -29.3 16.0 26.1 314 322 A D G 3 S+ 0 0 91 1,-0.2 -1,-0.3 24,-0.1 4,-0.2 0.364 96.7 64.5 -87.9 7.5 -29.8 19.7 26.8 315 323 A Q G <> + 0 0 46 -3,-1.8 4,-1.9 1,-0.1 -1,-0.2 0.268 67.8 102.8-110.4 9.4 -26.1 20.3 27.4 316 324 A I H <> S+ 0 0 1 -3,-0.8 4,-2.4 1,-0.2 5,-0.1 0.871 77.0 55.0 -63.0 -37.7 -24.9 19.4 23.9 317 325 A N H > S+ 0 0 35 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 110.9 45.3 -61.8 -42.8 -24.4 23.1 22.8 318 326 A E H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.849 109.9 57.0 -67.2 -34.1 -22.1 23.6 25.8 319 327 A A H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.917 102.9 53.4 -63.1 -43.9 -20.4 20.3 25.0 320 328 A Y H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.934 106.0 53.7 -56.9 -46.9 -19.5 21.5 21.5 321 329 A E H X S+ 0 0 93 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.915 111.4 44.9 -54.2 -47.1 -17.9 24.6 22.9 322 330 A R H ><>S+ 0 0 62 -4,-1.8 5,-3.0 1,-0.2 3,-1.0 0.872 108.0 58.0 -66.5 -37.5 -15.6 22.5 25.2 323 331 A M H ><5S+ 0 0 9 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.882 100.9 56.6 -59.7 -39.2 -14.8 20.1 22.3 324 332 A L H 3<5S+ 0 0 101 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.719 111.2 43.8 -65.6 -21.2 -13.5 23.0 20.3 325 333 A R T <<5S- 0 0 175 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.392 113.7-117.8-102.4 0.0 -11.1 23.7 23.1 326 334 A G T < 5 + 0 0 50 -3,-1.2 2,-1.0 -4,-0.4 -3,-0.2 0.803 64.7 149.3 66.9 27.9 -10.2 20.1 23.7 327 335 A D < + 0 0 73 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.2 -0.392 40.6 81.3 -93.0 56.5 -11.7 20.4 27.1 328 336 A V S S- 0 0 20 -2,-1.0 2,-0.4 -5,-0.1 4,-0.1 -0.974 77.7-119.6-157.0 144.6 -12.9 16.9 27.5 329 337 A K S S- 0 0 144 -2,-0.3 -147,-0.1 2,-0.1 -2,-0.0 -0.730 84.4 -61.3-126.5 84.6 -11.3 13.5 28.5 330 338 A Y S S+ 0 0 23 -2,-0.4 2,-0.3 -149,-0.1 -22,-0.2 -0.976 107.6 16.0-134.9 7.3 -12.0 12.4 26.0 331 339 A R E - i 0 308C 8 -24,-1.0 -22,-2.1 -149,-0.1 2,-0.3 -0.989 51.3-135.7-147.3 132.0 -15.5 12.0 24.6 332 340 A F E - i 0 309C 3 -295,-0.5 -295,-2.7 -2,-0.3 2,-0.4 -0.680 22.4-167.3 -84.5 141.2 -18.9 13.4 25.6 333 341 A V E -Fi 36 310C 0 -24,-2.0 -22,-2.3 -2,-0.3 2,-0.3 -0.990 15.1-133.4-133.6 124.7 -21.7 10.9 25.7 334 342 A I E -Fi 35 311C 1 -299,-3.0 -299,-1.4 -2,-0.4 2,-1.2 -0.564 8.4-138.8 -78.4 135.3 -25.4 11.9 25.9 335 343 A D E > -F 34 0C 18 -24,-2.4 3,-2.2 -2,-0.3 -22,-0.5 -0.810 19.4-164.2 -91.3 94.4 -27.6 10.1 28.4 336 344 A N G > S+ 0 0 3 -303,-1.4 3,-1.8 -2,-1.2 4,-0.2 0.679 79.6 74.5 -58.5 -19.1 -30.6 9.8 26.0 337 345 A R G > S+ 0 0 168 -304,-0.6 3,-1.5 1,-0.3 -1,-0.3 0.818 84.7 68.7 -63.1 -26.4 -32.9 9.0 28.9 338 346 A T G < S+ 0 0 27 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.452 72.7 87.8 -72.6 0.9 -32.7 12.7 29.7 339 347 A L G < 0 0 23 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.1 0.772 360.0 360.0 -69.0 -24.1 -34.6 13.6 26.6 340 348 A T < 0 0 121 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.1 0.769 360.0 360.0-112.4 360.0 -37.7 13.2 28.7