==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JAN-11 3ATQ . COMPND 2 MOLECULE: CONSERVED ARCHAEAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS; . AUTHOR D.SASAKI,M.FUJIHASHI,M.MURAKAMI,T.YOSHIMURA,H.HEMMI,K.MIKI . 452 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 30 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 1 0 2 2 1 1 0 1 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 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 PARALLEL BRIDGES PER LADDER . 0 1 2 0 0 2 0 1 2 1 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 1 0 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 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 M 0 0 122 0, 0.0 145,-0.1 0, 0.0 143,-0.0 0.000 360.0 360.0 360.0 162.6 6.4 24.2 -21.8 2 2 A K E -a 146 0A 101 143,-0.5 145,-2.7 1,-0.0 2,-0.4 -0.312 360.0-152.2 -56.1 139.7 9.8 25.8 -21.5 3 3 A E E -a 147 0A 120 143,-0.2 2,-0.3 145,-0.1 145,-0.2 -0.966 14.4-179.0-119.1 135.8 12.6 23.3 -20.7 4 4 A L E -a 148 0A 52 143,-2.6 145,-2.9 -2,-0.4 2,-0.5 -0.930 16.6-140.6-129.7 157.0 15.8 24.2 -18.9 5 5 A K E +a 149 0A 144 -2,-0.3 2,-0.3 143,-0.2 145,-0.2 -0.979 23.2 168.1-124.1 124.9 18.8 22.1 -17.9 6 6 A Y - 0 0 13 143,-3.0 145,-0.5 -2,-0.5 25,-0.2 -0.884 38.5-130.9-123.9 158.7 20.7 22.3 -14.6 7 7 A D S S+ 0 0 45 23,-2.0 144,-1.6 -2,-0.3 145,-1.4 0.919 95.3 14.3 -69.5 -45.4 23.3 20.1 -13.0 8 8 A V E -de 31 152B 0 22,-1.7 24,-2.4 142,-0.2 2,-0.5 -0.998 61.8-160.4-137.3 134.7 21.5 20.1 -9.6 9 9 A L E -de 32 153B 0 143,-2.4 145,-3.3 -2,-0.4 2,-0.6 -0.986 10.0-163.3-114.1 119.4 18.0 21.2 -8.6 10 10 A I E -de 33 154B 0 22,-3.1 24,-2.7 -2,-0.5 2,-0.8 -0.929 5.5-156.4-103.4 121.4 17.5 21.9 -4.9 11 11 A I E +de 34 155B 8 143,-3.2 145,-2.4 -2,-0.6 24,-0.2 -0.876 65.0 21.3-104.3 106.4 13.9 21.9 -3.8 12 12 A G - 0 0 8 22,-3.2 23,-0.2 -2,-0.8 145,-0.1 0.164 60.7-143.0 108.4 133.3 13.4 24.0 -0.6 13 13 A G + 0 0 0 4,-0.2 93,-0.1 20,-0.1 -1,-0.1 -0.124 56.2 118.4-120.7 35.3 15.6 26.6 0.8 14 14 A G S > S- 0 0 26 142,-0.5 4,-2.9 28,-0.1 5,-0.4 0.017 92.3 -62.6 -77.3-163.3 15.4 26.1 4.6 15 15 A F H > S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.889 139.6 47.2 -52.1 -40.5 18.5 25.2 6.8 16 16 A A H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.986 116.8 37.9 -67.4 -59.4 18.8 22.0 4.8 17 17 A G H > S+ 0 0 0 139,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.883 116.5 51.9 -61.4 -40.3 18.5 23.3 1.2 18 18 A S H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.866 109.3 51.3 -65.9 -35.2 20.4 26.5 1.9 19 19 A S H X S+ 0 0 2 -4,-1.5 4,-2.6 -5,-0.4 -2,-0.2 0.896 109.8 48.7 -65.3 -44.2 23.3 24.4 3.3 20 20 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.940 113.6 47.6 -60.5 -44.5 23.4 22.2 0.3 21 21 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.912 114.2 46.2 -63.0 -45.3 23.4 25.3 -2.0 22 22 A Y H < S+ 0 0 36 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.924 115.6 45.8 -61.8 -47.1 26.1 27.0 0.0 23 23 A Q H < S+ 0 0 25 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.768 114.9 46.9 -68.6 -29.7 28.3 23.8 0.2 24 24 A L H >< S+ 0 0 0 -4,-2.0 3,-0.6 -5,-0.2 5,-0.4 0.625 89.8 112.6 -83.1 -16.1 27.9 23.0 -3.5 25 25 A S T 3< S+ 0 0 2 -4,-1.0 88,-0.1 -3,-0.4 5,-0.1 -0.197 75.3 13.7 -71.1 150.4 28.6 26.6 -4.8 26 26 A R T 3 S+ 0 0 178 86,-0.7 -1,-0.2 3,-0.2 87,-0.1 0.812 91.7 111.6 60.7 37.1 31.7 27.6 -6.8 27 27 A R S < S- 0 0 130 -3,-0.6 -2,-0.1 2,-0.2 -1,-0.1 0.097 98.9 -87.9-129.5 21.9 32.6 24.0 -7.6 28 28 A G S S+ 0 0 77 1,-0.3 2,-0.3 0, 0.0 -3,-0.1 0.533 89.4 119.9 88.5 9.0 31.9 23.9 -11.3 29 29 A L - 0 0 32 -5,-0.4 2,-0.8 -22,-0.0 -1,-0.3 -0.839 62.4-129.7-112.6 147.7 28.2 23.0 -11.2 30 30 A K - 0 0 108 -2,-0.3 -23,-2.0 -3,-0.1 -22,-1.7 -0.823 38.6-174.8 -93.2 106.9 25.1 24.8 -12.5 31 31 A I E -d 8 0B 6 -2,-0.8 84,-2.6 82,-0.3 2,-0.4 -0.859 17.6-171.5-116.2 135.6 22.7 24.8 -9.5 32 32 A L E -df 9 115B 0 -24,-2.4 -22,-3.1 -2,-0.4 2,-0.4 -0.994 4.7-169.0-119.0 133.1 19.1 26.0 -9.1 33 33 A L E -df 10 116B 0 82,-2.9 84,-2.5 -2,-0.4 2,-0.3 -0.982 7.1-169.3-118.5 135.0 17.4 26.2 -5.8 34 34 A V E -df 11 117B 1 -24,-2.7 -22,-3.2 -2,-0.4 2,-0.3 -0.894 7.9-179.8-117.9 150.8 13.6 26.8 -5.6 35 35 A D - 0 0 23 82,-1.7 85,-2.5 -2,-0.3 84,-0.3 -0.957 29.0-139.3-147.0 139.2 11.3 27.6 -2.7 36 36 A S S S+ 0 0 60 -2,-0.3 85,-0.1 83,-0.3 104,-0.1 0.708 82.9 81.3 -63.0 -26.9 7.6 28.2 -2.6 37 37 A K S S- 0 0 51 83,-0.1 82,-2.1 82,-0.1 83,-0.3 -0.452 90.1-103.8 -81.6 154.0 7.9 31.1 -0.1 38 38 A P >> - 0 0 29 0, 0.0 3,-2.2 0, 0.0 4,-0.9 -0.478 42.0-102.4 -68.9 152.9 8.8 34.7 -1.1 39 39 A W G >4 S+ 0 0 64 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.862 119.9 54.9 -37.9 -55.4 12.5 35.6 -0.3 40 40 A N G 34 S+ 0 0 118 1,-0.3 -1,-0.3 3,-0.0 63,-0.1 0.609 112.1 45.2 -65.2 -10.4 11.6 37.7 2.8 41 41 A R G X4 S+ 0 0 106 -3,-2.2 3,-1.8 2,-0.0 -1,-0.3 0.539 78.5 121.4-108.1 -12.1 9.8 34.7 4.3 42 42 A I T << S+ 0 0 0 -3,-1.2 61,-0.3 -4,-0.9 60,-0.1 -0.315 78.5 24.5 -58.4 131.7 12.2 31.8 3.6 43 43 A G T 3 S+ 0 0 10 59,-0.1 -1,-0.3 58,-0.1 59,-0.1 0.465 86.8 117.3 94.7 4.2 13.3 30.2 6.9 44 44 A D < + 0 0 51 -3,-1.8 -2,-0.1 54,-0.1 3,-0.1 0.225 28.1 133.0 -96.4 16.1 10.1 31.2 8.8 45 45 A K S S- 0 0 56 1,-0.1 222,-0.1 -4,-0.1 53,-0.1 -0.404 76.1 -85.7 -54.5 138.8 8.7 27.7 9.6 46 46 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.217 69.6 150.5 -51.6 138.3 7.8 27.7 13.3 47 47 A C - 0 0 29 -3,-0.1 51,-0.1 1,-0.1 140,-0.0 -0.966 59.8-119.2-164.2 156.2 10.8 26.7 15.4 48 48 A G - 0 0 11 -2,-0.3 179,-0.1 2,-0.1 3,-0.1 0.703 46.9-140.6 -75.9 -20.9 12.3 27.3 18.9 49 49 A D + 0 0 14 1,-0.2 47,-2.6 46,-0.1 2,-0.5 0.603 52.0 138.5 75.1 16.6 15.2 28.8 16.9 50 50 A A E +I 95 0C 35 45,-0.2 2,-0.4 43,-0.0 251,-0.2 -0.840 24.2 174.3-100.3 124.2 17.9 27.3 19.2 51 51 A V E -I 94 0C 6 43,-2.5 43,-2.7 -2,-0.5 5,-0.0 -0.995 29.6-119.1-134.9 131.4 21.1 25.9 17.6 52 52 A S E > -I 93 0C 38 -2,-0.4 4,-0.8 41,-0.2 3,-0.3 -0.297 12.9-135.8 -61.0 144.4 24.2 24.6 19.3 53 53 A K H > S+ 0 0 46 39,-2.5 4,-2.4 1,-0.2 3,-0.3 0.833 105.1 67.5 -67.0 -31.1 27.6 26.3 18.5 54 54 A A H > S+ 0 0 46 38,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.822 94.4 54.5 -59.6 -35.0 28.9 22.7 18.2 55 55 A H H > S+ 0 0 26 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.886 110.4 46.1 -66.9 -37.7 26.8 22.1 15.0 56 56 A F H >X>S+ 0 0 0 -4,-0.8 5,-2.2 -3,-0.3 4,-0.7 0.917 114.0 49.0 -68.2 -41.4 28.3 25.2 13.4 57 57 A D H 3<5S+ 0 0 85 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.807 102.1 63.0 -68.8 -30.3 31.8 24.2 14.5 58 58 A K H 3<5S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 119.0 25.6 -59.4 -36.8 31.3 20.6 13.1 59 59 A L H <<5S- 0 0 25 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.344 104.6-120.2-109.5 -1.5 31.0 22.1 9.6 60 60 A G T <5 + 0 0 63 -4,-0.7 -3,-0.2 -3,-0.2 -4,-0.1 0.837 54.9 167.5 51.8 37.1 33.0 25.2 10.1 61 61 A M < - 0 0 6 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.1 -0.494 44.3 -94.6 -73.0 148.4 29.7 27.1 9.1 62 62 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.427 41.2-115.5 -67.5 141.1 29.8 30.8 9.8 63 63 A Y - 0 0 98 1,-0.1 2,-0.1 -2,-0.1 6,-0.1 -0.375 33.4-100.5 -67.2 148.9 28.3 31.9 13.1 64 64 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.481 50.9 179.6 -63.4 144.3 25.1 34.1 13.1 65 65 A K > + 0 0 119 -2,-0.1 3,-2.2 -3,-0.1 4,-0.2 -0.906 38.6 0.8-144.4 171.1 26.0 37.8 13.7 66 66 A G G > S- 0 0 56 -2,-0.3 3,-1.7 1,-0.3 0, 0.0 -0.205 132.3 -3.8 48.8-131.7 24.3 41.2 14.0 67 67 A E G 3 S+ 0 0 158 1,-0.3 -1,-0.3 33,-0.1 33,-0.1 0.598 128.4 69.9 -65.8 -14.4 20.5 41.0 13.6 68 68 A E G < S+ 0 0 21 -3,-2.2 29,-2.3 1,-0.2 2,-0.8 0.710 91.8 64.6 -74.0 -24.4 20.8 37.2 12.9 69 69 A L E < +J 96 0C 50 -3,-1.7 27,-0.2 27,-0.2 -1,-0.2 -0.866 57.4 172.4-107.0 103.1 21.8 36.5 16.5 70 70 A E E - 0 0 52 25,-1.9 2,-0.3 -2,-0.8 26,-0.2 0.906 69.3 -3.4 -78.3 -37.2 19.0 37.4 18.8 71 71 A N E -J 95 0C 16 24,-1.7 24,-2.5 151,-0.1 2,-0.3 -0.962 65.1-124.8-158.6 132.9 20.5 36.0 22.0 72 72 A K E -J 94 0C 68 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.630 27.8-148.0 -80.1 136.8 23.7 34.2 23.0 73 73 A I E +J 93 0C 5 20,-2.6 20,-2.4 -2,-0.3 128,-0.2 -0.901 22.3 177.4-110.1 134.1 23.1 30.9 24.9 74 74 A N E - 0 0 62 126,-3.0 17,-2.4 -2,-0.4 2,-0.3 0.429 64.1 -45.5-112.4 -6.8 25.4 29.5 27.6 75 75 A G E -Jk 90 201C 0 125,-1.0 127,-2.6 15,-0.3 2,-0.4 -0.988 55.8 -85.5 166.5-166.4 23.4 26.4 28.6 76 76 A I E -Jk 89 202C 47 13,-2.5 13,-2.8 -2,-0.3 2,-0.6 -0.984 16.8-146.0-135.8 139.1 20.1 24.8 29.5 77 77 A K E -Jk 88 203C 39 125,-2.9 127,-2.8 -2,-0.4 2,-0.5 -0.949 18.6-158.3-105.5 115.0 18.2 24.3 32.7 78 78 A L E -Jk 87 204C 20 9,-2.8 9,-2.8 -2,-0.6 2,-0.4 -0.859 7.5-156.8 -96.6 122.8 16.3 21.0 32.8 79 79 A Y E -Jk 86 205C 41 125,-2.8 127,-2.4 -2,-0.5 7,-0.2 -0.857 11.6-130.4-105.9 131.3 13.4 20.8 35.2 80 80 A S > - 0 0 0 5,-2.4 3,-2.0 -2,-0.4 283,-0.1 -0.305 34.7-104.2 -64.1 156.7 11.9 17.7 36.7 81 81 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 279,-0.1 0.872 124.5 48.9 -52.9 -40.2 8.1 17.2 36.5 82 82 A D T 3 S- 0 0 67 277,-0.2 125,-0.1 1,-0.1 -2,-0.0 0.441 107.6-128.9 -82.0 1.0 7.6 18.2 40.2 83 83 A M S < S+ 0 0 66 -3,-2.0 -1,-0.1 123,-0.2 3,-0.1 0.551 80.7 111.9 64.6 10.9 9.9 21.2 39.6 84 84 A Q + 0 0 141 1,-0.1 2,-0.5 -5,-0.0 -1,-0.1 0.702 69.0 50.9 -88.5 -21.1 12.0 20.1 42.6 85 85 A T - 0 0 14 2,-0.0 -5,-2.4 -5,-0.0 2,-0.5 -0.977 62.6-175.7-123.1 126.0 15.1 19.2 40.7 86 86 A V E - J 0 79C 62 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.975 8.5-159.1-123.2 118.5 16.9 21.5 38.2 87 87 A W E - J 0 78C 9 -9,-2.8 -9,-2.8 -2,-0.5 2,-0.6 -0.808 5.9-152.5 -93.3 132.8 19.9 20.4 36.2 88 88 A T E - J 0 77C 58 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.947 11.5-172.8-105.0 119.5 22.2 23.0 34.7 89 89 A V E - J 0 76C 16 -13,-2.8 -13,-2.5 -2,-0.6 2,-0.2 -0.972 14.9-145.8-111.4 113.1 23.9 21.7 31.6 90 90 A N E + J 0 75C 106 -2,-0.6 -15,-0.3 -15,-0.2 2,-0.2 -0.527 39.0 127.7 -80.0 146.4 26.6 24.2 30.3 91 91 A G E - 0 0 38 -17,-2.4 2,-0.1 -2,-0.2 -2,-0.1 -0.594 51.7-104.0 162.5 133.4 27.2 24.6 26.6 92 92 A E E + 0 0 89 -2,-0.2 -39,-2.5 -18,-0.1 -38,-0.6 -0.414 47.1 139.7 -80.5 142.6 27.3 27.3 23.9 93 93 A G E -IJ 52 73C 4 -20,-2.4 -20,-2.6 -41,-0.3 2,-0.4 -0.940 38.9-107.8-162.7-175.3 24.6 28.1 21.4 94 94 A F E -IJ 51 72C 8 -43,-2.7 -43,-2.5 -2,-0.3 2,-0.7 -0.983 6.1-149.6-131.1 134.0 22.6 30.7 19.5 95 95 A E E -IJ 50 71C 0 -24,-2.5 -25,-1.9 -2,-0.4 -24,-1.7 -0.940 42.4-155.9 -97.3 110.0 19.0 31.9 19.7 96 96 A L E - J 0 69C 0 -47,-2.6 2,-1.1 -2,-0.7 -27,-0.2 -0.476 38.2-133.7 -93.4 154.0 18.5 32.9 16.0 97 97 A N > - 0 0 38 -29,-2.3 4,-2.5 1,-0.2 5,-0.3 -0.894 40.9-166.0 -85.8 92.1 16.5 35.1 13.9 98 98 A A H > S+ 0 0 0 -2,-1.1 4,-3.1 1,-0.2 5,-0.3 0.916 77.1 49.2 -59.0 -46.5 16.1 32.1 11.7 99 99 A P H > S+ 0 0 30 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.917 113.4 47.8 -58.4 -42.8 14.7 33.8 8.5 100 100 A L H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.941 116.5 42.3 -64.1 -44.0 17.5 36.4 8.6 101 101 A Y H X S+ 0 0 2 -4,-2.5 4,-1.9 -33,-0.2 -1,-0.2 0.924 115.9 48.9 -66.1 -46.5 20.2 33.9 9.1 102 102 A N H X S+ 0 0 2 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.913 111.1 51.0 -57.8 -45.0 18.7 31.5 6.5 103 103 A Q H X S+ 0 0 31 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.836 106.9 54.0 -65.4 -34.8 18.4 34.3 4.0 104 104 A R H X S+ 0 0 40 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.890 107.1 50.9 -62.9 -42.6 22.0 35.3 4.5 105 105 A V H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.939 112.6 46.5 -62.3 -46.3 23.2 31.8 3.7 106 106 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.890 110.7 52.0 -61.2 -42.3 21.1 31.8 0.5 107 107 A K H X S+ 0 0 103 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.903 110.4 48.6 -64.3 -39.3 22.3 35.2 -0.5 108 108 A E H X S+ 0 0 60 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.918 111.2 49.5 -67.8 -41.5 25.9 34.1 -0.1 109 109 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -2,-0.2 0.921 112.3 49.5 -57.2 -44.1 25.2 30.9 -2.1 110 110 A Q H ><5S+ 0 0 68 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.889 107.3 52.9 -61.4 -42.6 23.6 33.2 -4.7 111 111 A D H 3<5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 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-4,-2.1 3,-2.3 1,-0.2 4,-0.3 0.319 84.9 109.2 -99.3 5.2 25.3 9.0 -4.8 330 330 A W T X> + 0 0 7 -3,-0.7 4,-1.4 -4,-0.4 3,-1.4 0.718 59.2 76.9 -65.7 -26.5 25.7 6.4 -2.0 331 331 A D H 3> S+ 0 0 71 -3,-0.3 4,-3.0 1,-0.3 5,-0.3 0.745 82.0 72.1 -52.1 -26.5 28.4 8.5 -0.2 332 332 A M H <> S+ 0 0 0 -3,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.936 101.0 42.2 -52.2 -49.5 25.5 10.6 1.0 333 333 A N H <> S+ 0 0 2 -3,-1.4 4,-2.7 -4,-0.3 5,-0.3 0.895 115.1 48.6 -66.2 -45.1 24.5 7.7 3.3 334 334 A I H X S+ 0 0 54 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.940 115.5 45.1 -62.1 -47.4 28.1 6.9 4.4 335 335 A a H X S+ 0 0 15 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.939 116.9 43.9 -57.7 -52.6 28.8 10.6 5.2 336 336 A Y H X>S+ 0 0 0 -4,-2.6 5,-2.8 -5,-0.3 4,-2.6 0.916 111.8 51.0 -68.3 -41.3 25.5 11.3 7.0 337 337 A V H <>S+ 0 0 6 -4,-2.7 5,-2.5 4,-0.2 6,-0.4 0.940 114.1 45.4 -63.3 -42.9 25.5 8.1 9.1 338 338 A N H <5S+ 0 0 102 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.873 117.8 43.4 -64.6 -37.5 29.0 8.7 10.3 339 339 A E H <5S- 0 0 59 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.797 143.6 -30.3 -78.8 -32.1 28.3 12.4 11.0 340 340 A Y T X5S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 -3,-0.2 0.458 115.1 82.8-156.9 -32.4 24.9 12.2 12.7 341 341 A G H > S+ 0 0 23 -6,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.928 107.9 53.4 -55.3 -49.0 23.8 8.8 16.7 344 344 A Q H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.877 106.0 53.4 -56.1 -41.7 20.1 9.4 15.6 345 345 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.927 110.2 45.9 -60.6 -48.3 19.5 5.7 15.6 346 346 A S H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.899 113.9 49.9 -57.6 -42.4 20.8 5.2 19.1 347 347 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.744 101.9 61.2 -71.1 -25.6 18.7 8.2 20.2 348 348 A D H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.914 109.1 44.2 -64.1 -45.2 15.6 6.8 18.5 349 349 A I H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 3,-0.2 0.957 113.7 49.5 -59.4 -52.2 16.0 3.9 20.9 350 350 A F H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.884 108.3 54.1 -55.2 -44.6 16.6 6.2 23.9 351 351 A R H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.873 103.3 55.4 -58.4 -41.8 13.6 8.3 23.1 352 352 A R H X S+ 0 0 25 -4,-1.6 4,-0.6 -3,-0.2 -1,-0.2 0.899 111.1 45.6 -61.7 -40.8 11.2 5.3 23.1 353 353 A F H >X S+ 0 0 4 -4,-1.6 3,-1.0 2,-0.2 4,-0.5 0.946 113.6 48.2 -62.1 -51.2 12.4 4.5 26.6 354 354 A L H >< S+ 0 0 53 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.863 106.4 57.0 -62.0 -37.8 12.2 8.1 27.8 355 355 A Q H 3< S+ 0 0 32 -4,-2.7 -1,-0.3 1,-0.2 -142,-0.2 0.705 106.0 51.5 -68.3 -21.0 8.6 8.6 26.4 356 356 A K H << S+ 0 0 108 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.502 85.7 105.6 -95.3 -4.7 7.4 5.6 28.4 357 357 A L << - 0 0 13 -3,-1.1 2,-0.2 -4,-0.5 47,-0.0 -0.417 68.3-125.9 -71.8 149.9 8.7 6.8 31.8 358 358 A S > - 0 0 46 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.496 23.7-108.7 -88.3 164.9 6.2 8.1 34.4 359 359 A N H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.906 122.7 55.4 -56.7 -40.9 6.6 11.5 36.1 360 360 A D H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 106.9 50.4 -56.6 -46.4 7.4 9.6 39.3 361 361 A D H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.881 113.2 44.7 -57.6 -45.3 10.3 7.8 37.5 362 362 A I H X S+ 0 0 19 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.909 112.1 51.2 -72.0 -41.9 11.7 11.1 36.1 363 363 A N H X S+ 0 0 23 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.927 114.7 45.1 -54.6 -46.4 11.4 12.9 39.5 364 364 A Y H X S+ 0 0 44 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.962 112.6 49.3 -63.4 -54.1 13.2 10.0 41.1 365 365 A G H <>S+ 0 0 6 -4,-2.8 5,-2.4 1,-0.2 6,-0.4 0.870 116.7 42.0 -55.3 -42.7 16.0 9.7 38.4 366 366 A M H ><5S+ 0 0 9 -4,-2.4 3,-1.0 3,-0.2 -1,-0.2 0.917 115.0 49.1 -73.9 -46.0 16.7 13.4 38.5 367 367 A K H 3<5S+ 0 0 129 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.921 116.4 43.5 -53.5 -48.0 16.5 13.7 42.4 368 368 A K T 3<5S- 0 0 109 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.426 104.5-130.0 -82.5 -0.2 18.8 10.7 42.8 369 369 A K T < 5 + 0 0 90 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.913 38.7 173.2 47.5 49.8 21.2 11.9 40.0 370 370 A I S - 0 0 97 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.504 27.2-106.1 -89.7 162.4 25.0 13.1 35.7 373 373 A E H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.918 122.6 52.1 -44.4 -51.3 24.3 16.3 33.7 374 374 A E H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.801 105.9 53.7 -61.9 -35.4 27.4 15.5 31.6 375 375 A D H > S+ 0 0 25 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.868 107.9 49.3 -68.1 -38.0 26.2 12.0 30.9 376 376 A L H X S+ 0 0 34 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.879 111.3 50.4 -69.9 -35.6 22.8 13.3 29.6 377 377 A L H X S+ 0 0 51 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.888 108.0 52.6 -65.1 -40.8 24.8 15.7 27.4 378 378 A E H X>S+ 0 0 65 -4,-2.1 4,-2.3 2,-0.2 6,-1.2 0.887 108.6 50.5 -63.6 -40.9 27.0 12.9 26.1 379 379 A A H X5S+ 0 0 1 -4,-2.1 4,-1.4 4,-0.2 -2,-0.2 0.944 115.9 42.8 -58.2 -47.7 23.8 11.0 25.2 380 380 A S H <5S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.936 123.1 35.5 -63.2 -48.7 22.4 14.1 23.3 381 381 A E H <5S+ 0 0 76 -4,-3.3 -3,-0.2 1,-0.1 -1,-0.2 0.723 134.5 19.5 -84.4 -26.2 25.7 15.1 21.6 382 382 A K H <5S- 0 0 110 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.535 93.0-120.4-121.7 -14.2 27.3 11.7 20.8 383 383 A G S < - 0 0 78 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.204 7.5-127.7 -59.7 145.6 28.1 4.4 28.2 387 387 A L H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.856 111.0 54.9 -62.7 -34.8 27.6 0.9 29.7 388 388 A S H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.870 108.3 49.3 -64.6 -37.7 29.6 2.0 32.8 389 389 A V H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 110.8 49.3 -66.4 -45.2 27.2 5.0 33.2 390 390 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.874 109.9 52.8 -59.9 -38.9 24.2 2.7 32.9 391 391 A D H X S+ 0 0 59 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.917 109.0 48.4 -64.1 -44.2 25.7 0.3 35.5 392 392 A K H X S+ 0 0 125 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.894 112.6 49.2 -60.9 -41.9 26.2 3.2 38.0 393 393 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.895 106.8 55.3 -65.1 -42.2 22.6 4.3 37.4 394 394 A M H X S+ 0 0 35 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.808 100.0 60.3 -63.8 -31.3 21.3 0.7 37.9 395 395 A R H < S+ 0 0 172 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.898 111.2 40.1 -61.4 -39.7 23.0 0.6 41.3 396 396 A V H >< S+ 0 0 50 -4,-1.1 3,-1.6 -3,-0.4 -2,-0.2 0.908 113.7 53.3 -72.2 -44.2 20.9 3.6 42.4 397 397 A I H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.773 96.5 69.5 -63.4 -27.2 17.7 2.2 40.6 398 398 A S T 3< S+ 0 0 84 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.759 89.4 62.9 -61.0 -25.5 18.3 -1.0 42.5 399 399 A G T < S+ 0 0 68 -3,-1.6 2,-0.4 -4,-0.3 -1,-0.3 0.376 82.1 98.0 -80.1 1.3 17.3 0.8 45.8 400 400 A L < - 0 0 24 -3,-1.6 4,-0.1 1,-0.1 -3,-0.0 -0.789 56.0-166.3 -92.8 134.8 13.8 1.5 44.4 401 401 A G + 0 0 87 -2,-0.4 -1,-0.1 2,-0.1 -3,-0.0 0.264 59.9 76.8-110.4 10.6 11.1 -1.0 45.6 402 402 A R S S- 0 0 82 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.842 94.0 -86.4-113.8 156.1 8.2 -0.4 43.3 403 403 A P + 0 0 122 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.311 58.4 165.4 -55.9 139.1 7.8 -1.5 39.6 404 404 A S > - 0 0 21 1,-0.1 3,-1.6 -4,-0.1 4,-0.1 -0.929 50.5-132.3-160.0 139.7 9.4 0.9 37.2 405 405 A L G > S+ 0 0 32 -2,-0.3 3,-2.4 1,-0.3 4,-0.1 0.743 99.8 81.5 -58.4 -23.6 10.6 1.1 33.7 406 406 A L G > S+ 0 0 4 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.786 75.5 72.2 -53.1 -31.3 13.8 2.6 35.1 407 407 A F G < S+ 0 0 72 -3,-1.6 3,-0.3 1,-0.3 -1,-0.3 0.644 89.8 61.3 -61.0 -13.3 14.9 -1.0 35.8 408 408 A K G <> S+ 0 0 83 -3,-2.4 4,-2.7 1,-0.2 -1,-0.3 0.388 70.6 106.3 -92.2 2.9 15.4 -1.5 32.0 409 409 A L H <> S+ 0 0 7 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.860 79.2 48.0 -55.6 -42.6 18.0 1.3 31.7 410 410 A K H > S+ 0 0 51 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.933 112.1 50.0 -62.8 -44.5 21.0 -1.1 31.3 411 411 A A H > S+ 0 0 28 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.895 110.6 50.9 -58.6 -39.6 19.0 -3.1 28.6 412 412 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.923 108.0 51.4 -63.5 -45.6 18.3 0.2 26.9 413 413 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.884 109.4 51.7 -59.6 -39.9 22.0 1.2 26.9 414 414 A E H X S+ 0 0 102 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.907 110.6 46.4 -63.1 -45.0 22.8 -2.2 25.3 415 415 A S H X S+ 0 0 26 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.857 110.3 54.0 -66.3 -36.1 20.3 -1.7 22.5 416 416 A M H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.940 110.6 46.6 -62.3 -44.4 21.5 1.8 21.9 417 417 A K H X S+ 0 0 103 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 112.9 50.3 -61.2 -45.0 25.1 0.4 21.6 418 418 A K H X S+ 0 0 109 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.947 111.9 45.0 -59.5 -52.4 23.9 -2.4 19.2 419 419 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.872 111.6 54.3 -65.2 -34.3 21.9 -0.1 16.9 420 420 A K H X S+ 0 0 42 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.946 109.3 46.8 -63.7 -46.4 24.8 2.4 16.8 421 421 A E H X S+ 0 0 98 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.879 110.6 54.4 -59.9 -38.6 27.2 -0.3 15.7 422 422 A L H < S+ 0 0 21 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.916 109.6 46.5 -62.2 -44.4 24.7 -1.5 13.1 423 423 A Y H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.876 107.0 56.2 -66.1 -38.2 24.5 1.9 11.6 424 424 A L H 3< S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.690 103.9 56.4 -70.9 -15.4 28.2 2.4 11.6 425 425 A N T 3< S+ 0 0 128 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.1 -0.179 83.5 165.8 -97.8 37.0 28.3 -0.8 9.5 426 426 A Y < - 0 0 15 -3,-1.3 -3,-0.1 1,-0.1 7,-0.1 -0.210 50.5 -86.2 -54.8 141.7 26.0 0.8 7.0 427 427 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.250 29.8-141.1 -57.9 136.3 25.8 -1.2 3.7 428 428 A R S S+ 0 0 230 -3,-0.1 -94,-0.1 1,-0.0 -2,-0.1 0.651 83.4 20.3 -74.3 -16.4 28.6 -0.2 1.3 429 429 A S S > S- 0 0 44 1,-0.0 3,-1.6 -99,-0.0 4,-0.2 -0.966 84.9-105.7-147.2 161.2 26.3 -0.5 -1.8 430 430 A P G > S+ 0 0 21 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.764 109.4 72.7 -61.3 -26.4 22.5 -0.5 -2.4 431 431 A S G 3 S+ 0 0 114 1,-0.3 4,-0.2 2,-0.1 3,-0.0 0.638 100.7 46.9 -66.1 -12.7 22.3 -4.2 -3.1 432 432 A S G <> S+ 0 0 57 -3,-1.6 4,-2.0 2,-0.1 -1,-0.3 0.355 84.8 93.8-104.8 -1.8 22.8 -4.7 0.7 433 433 A L H <> S+ 0 0 6 -3,-1.8 4,-3.0 -4,-0.2 5,-0.2 0.940 83.5 51.1 -54.0 -52.0 20.2 -2.1 1.8 434 434 A G H > S+ 0 0 16 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.912 110.7 47.2 -54.9 -51.1 17.3 -4.6 2.2 435 435 A S H > S+ 0 0 69 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.919 115.8 45.3 -57.5 -47.1 19.3 -7.1 4.3 436 436 A W H X S+ 0 0 11 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.899 109.7 53.6 -65.3 -43.1 20.5 -4.3 6.6 437 437 A R H X S+ 0 0 75 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.880 107.7 52.5 -62.2 -36.7 17.1 -2.6 6.9 438 438 A R H X S+ 0 0 146 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.883 108.0 50.9 -64.8 -38.4 15.6 -5.9 8.0 439 439 A E H X S+ 0 0 104 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.864 111.6 47.8 -65.8 -40.4 18.3 -6.2 10.7 440 440 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.932 111.0 49.8 -64.6 -47.8 17.5 -2.7 11.9 441 441 A D H X S+ 0 0 63 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.867 110.3 52.3 -60.3 -37.1 13.7 -3.4 12.0 442 442 A N H X S+ 0 0 98 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.907 108.5 49.1 -64.6 -45.2 14.5 -6.6 14.0 443 443 A V H X S+ 0 0 11 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.915 115.2 46.1 -57.9 -46.0 16.5 -4.6 16.5 444 444 A L H X S+ 0 0 6 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.941 112.4 46.9 -65.3 -50.0 13.7 -2.1 16.9 445 445 A T H X S+ 0 0 85 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.921 114.2 49.0 -61.5 -42.8 10.8 -4.6 17.1 446 446 A E H X S+ 0 0 95 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.887 113.3 47.5 -57.4 -45.5 12.7 -6.6 19.7 447 447 A F H >X S+ 0 0 4 -4,-2.0 4,-0.7 -5,-0.2 3,-0.6 0.950 107.7 55.1 -63.0 -50.0 13.5 -3.5 21.6 448 448 A N H >< S+ 0 0 76 -4,-3.2 3,-0.8 1,-0.3 -2,-0.2 0.875 111.2 45.0 -50.6 -45.0 9.8 -2.3 21.5 449 449 A K H >< S+ 0 0 131 -4,-2.0 3,-1.3 1,-0.2 -1,-0.3 0.753 101.9 66.7 -75.2 -22.1 8.6 -5.5 23.0 450 450 A S H << S+ 0 0 28 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.648 89.5 68.1 -70.9 -15.2 11.4 -5.5 25.7 451 451 A L T << 0 0 10 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.1 0.325 360.0 360.0 -88.9 4.3 9.7 -2.4 27.2 452 452 A S < 0 0 156 -3,-1.3 0, 0.0 -47,-0.0 0, 0.0 -0.872 360.0 360.0-131.2 360.0 6.7 -4.3 28.4