==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-APR-07 2PJZ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ST1066; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR K.HIRATA,K.HASEGAWA,A.EBIHARA,M.YAMAMOTO,S.YOKOYAMA,RIKEN . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 18.0 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 . 4 1.5 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 . 24 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 0 0 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 . 1 2 0 0 4 0 0 0 1 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 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 61 0, 0.0 62,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 126.1 -7.2 60.3 10.9 2 2 A I E -AB 28 62A 1 26,-2.6 26,-2.6 60,-0.2 2,-0.5 -0.994 360.0-174.3-118.3 125.7 -6.6 62.6 7.8 3 3 A Q E -AB 27 61A 48 58,-2.6 58,-2.7 -2,-0.5 2,-0.6 -0.986 12.6-169.4-122.2 121.7 -3.2 62.3 6.2 4 4 A L E -AB 26 60A 1 22,-3.2 22,-1.9 -2,-0.5 2,-0.6 -0.955 13.1-170.7-101.7 118.5 -2.1 64.6 3.3 5 5 A K E - B 0 59A 85 54,-3.1 54,-1.8 -2,-0.6 20,-0.2 -0.862 66.7 -33.3-118.5 99.0 1.1 63.1 1.9 6 6 A N E S- 0 0 82 -2,-0.6 2,-0.3 18,-0.3 17,-0.3 0.928 83.7-176.0 59.9 51.9 3.0 65.3 -0.6 7 7 A V E -A 24 0A 0 17,-2.6 17,-2.5 51,-0.2 2,-0.4 -0.575 9.5-177.1 -79.9 137.7 -0.2 66.8 -2.0 8 8 A G E + B 0 57A 2 49,-1.7 49,-2.5 -2,-0.3 2,-0.3 -0.984 2.2 178.3-130.1 143.7 0.0 69.2 -5.0 9 9 A I E -A 21 0A 11 12,-1.9 12,-2.6 -2,-0.4 2,-0.4 -0.984 29.0-121.7-145.3 139.2 -2.9 71.0 -6.6 10 10 A T E -A 20 0A 66 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.661 24.6-179.9 -79.5 127.0 -3.0 73.5 -9.5 11 11 A L E - 0 0 44 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.767 64.1 -2.5 -95.7 -35.4 -4.6 76.8 -8.5 12 12 A S E S+A 19 0A 69 7,-1.9 7,-2.7 0, 0.0 -1,-0.3 -0.994 102.4 16.2-152.1 159.2 -4.4 78.6 -11.8 13 13 A G E S-A 18 0A 62 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.389 72.2 -96.2 81.9-164.7 -3.2 78.4 -15.3 14 14 A K E > -A 17 0A 174 3,-1.6 3,-1.6 -2,-0.1 -1,-0.0 -0.993 61.4 -20.7-154.8 154.4 -2.2 75.2 -17.2 15 15 A G T 3 S+ 0 0 46 -2,-0.3 3,-0.3 1,-0.3 0, 0.0 -0.113 123.5 2.8 55.0-129.8 0.7 73.0 -18.1 16 16 A Y T 3 S+ 0 0 226 1,-0.3 2,-0.6 -3,-0.0 -1,-0.3 0.757 135.3 48.6 -66.1 -26.2 4.1 74.6 -18.1 17 17 A E E < S+A 14 0A 162 -3,-1.6 -3,-1.6 2,-0.1 2,-0.3 -0.778 82.7 122.1-119.1 76.6 2.8 78.0 -16.9 18 18 A R E -A 13 0A 123 -2,-0.6 2,-0.5 -3,-0.3 -5,-0.2 -0.913 54.4-132.1-128.6 162.2 0.6 77.2 -13.9 19 19 A F E +A 12 0A 92 -7,-2.7 -8,-2.7 -2,-0.3 -7,-1.9 -0.987 38.3 166.2-113.7 132.0 0.6 78.2 -10.3 20 20 A S E -A 10 0A 22 -2,-0.5 2,-0.4 -10,-0.3 -10,-0.2 -0.900 41.3-116.7-139.0 161.3 0.2 75.3 -7.8 21 21 A L E -A 9 0A 3 -12,-2.6 -12,-1.9 -2,-0.3 2,-0.3 -0.821 43.3-175.5 -85.6 137.1 0.5 74.3 -4.2 22 22 A E E + 0 0 66 180,-0.5 -14,-0.2 -2,-0.4 -15,-0.1 -0.959 51.0 16.7-134.1 158.8 3.2 71.6 -3.9 23 23 A N E S+ 0 0 108 -2,-0.3 2,-0.6 -17,-0.3 181,-0.3 0.863 71.3 174.1 54.9 43.0 4.5 69.3 -1.1 24 24 A I E +A 7 0A 0 -17,-2.5 -17,-2.6 -3,-0.1 2,-0.4 -0.754 3.7 179.1 -85.6 121.3 1.6 69.9 1.2 25 25 A N E + 0 0 88 -2,-0.6 2,-0.3 -19,-0.2 -20,-0.2 -0.975 10.4 147.1-126.5 134.1 1.9 67.6 4.2 26 26 A L E -A 4 0A 9 -22,-1.9 -22,-3.2 -2,-0.4 2,-0.4 -0.930 24.1-164.2-160.5 140.5 -0.5 67.4 7.2 27 27 A E E -A 3 0A 90 -2,-0.3 2,-0.4 -24,-0.2 -24,-0.2 -1.000 13.8-179.2-128.5 130.5 -1.8 64.7 9.7 28 28 A V E +A 2 0A 1 -26,-2.6 -26,-2.6 -2,-0.4 2,-0.4 -0.997 6.4 166.9-126.3 127.4 -4.9 65.4 11.7 29 29 A N - 0 0 91 -2,-0.4 3,-0.1 -28,-0.2 -2,-0.0 -0.974 59.9 -8.4-144.0 134.4 -6.4 63.1 14.3 30 30 A G S S+ 0 0 35 -2,-0.4 2,-0.3 118,-0.1 147,-0.1 0.524 115.2 60.0 76.2 11.5 -8.9 63.3 17.0 31 31 A E S S- 0 0 56 147,-0.1 147,-2.0 2,-0.0 2,-0.4 -0.972 81.3-106.6-160.1 159.1 -9.4 67.1 16.9 32 32 A K E -d 178 0B 16 145,-0.3 163,-0.7 -2,-0.3 2,-0.3 -0.795 33.2-165.3 -89.3 137.4 -10.4 70.0 14.5 33 33 A V E -de 179 195B 1 145,-2.3 147,-2.6 -2,-0.4 2,-0.4 -0.912 12.7-133.7-118.9 156.8 -7.6 72.1 13.2 34 34 A I E -de 180 196B 2 161,-2.6 163,-2.8 -2,-0.3 2,-0.6 -0.897 8.1-155.3-109.5 133.9 -8.0 75.5 11.5 35 35 A I E -de 181 197B 4 145,-2.5 147,-2.0 -2,-0.4 2,-0.4 -0.962 13.9-163.3-109.6 122.8 -6.1 76.4 8.4 36 36 A L E +de 182 198B 0 161,-3.2 163,-2.8 -2,-0.6 147,-0.2 -0.881 23.4 143.5-106.9 130.8 -5.7 80.2 8.1 37 37 A G - 0 0 0 145,-1.4 163,-0.1 -2,-0.4 3,-0.1 -0.959 47.7 -96.2-162.7 150.6 -4.8 81.7 4.8 38 38 A P > - 0 0 7 0, 0.0 3,-2.0 0, 0.0 5,-0.3 -0.178 58.6 -79.7 -59.4 158.7 -5.5 84.8 2.7 39 39 A N T 3 S+ 0 0 101 1,-0.3 143,-0.0 2,-0.1 0, 0.0 -0.329 122.2 27.6 -54.4 137.9 -8.1 84.7 -0.0 40 40 A G T 3 S+ 0 0 74 -3,-0.1 -1,-0.3 1,-0.1 -29,-0.0 0.397 83.5 114.8 89.2 -2.6 -6.6 83.0 -3.0 41 41 A S S < S- 0 0 19 -3,-2.0 -2,-0.1 1,-0.1 -1,-0.1 0.663 90.7-104.2 -79.0 -14.7 -4.1 80.9 -1.1 42 42 A G S > S+ 0 0 9 -4,-0.2 4,-2.3 -5,-0.1 5,-0.2 0.506 78.4 132.5 105.8 8.1 -5.7 77.6 -2.2 43 43 A K H > S+ 0 0 7 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.914 76.9 42.9 -58.3 -48.7 -7.5 76.7 1.2 44 44 A T H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 111.6 55.1 -68.8 -39.3 -10.8 75.9 -0.4 45 45 A T H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.884 106.0 53.2 -58.8 -40.6 -9.1 73.9 -3.2 46 46 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.940 109.6 47.4 -61.4 -45.2 -7.4 71.8 -0.5 47 47 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.872 108.8 54.5 -63.0 -38.1 -10.7 71.0 1.1 48 48 A R H <>S+ 0 0 68 -4,-2.4 5,-2.8 2,-0.2 6,-0.5 0.930 109.1 48.2 -62.2 -44.3 -12.2 70.1 -2.3 49 49 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.5 4,-0.2 5,-0.2 0.935 111.4 49.2 -59.3 -48.4 -9.4 67.6 -2.9 50 50 A I H 3<5S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.881 109.4 54.7 -59.1 -35.3 -9.8 66.1 0.6 51 51 A S T 3<5S- 0 0 26 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.397 119.5-108.3 -84.1 3.9 -13.6 65.8 -0.1 52 52 A G T < 5S+ 0 0 47 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.721 88.8 114.6 84.6 21.1 -13.1 63.8 -3.3 53 53 A L S S-BC 2 65A 5 3,-2.6 3,-2.0 -2,-0.5 -60,-0.2 -0.977 87.9 -20.2-113.8 113.6 -9.0 59.3 5.5 63 63 A N T 3 S- 0 0 73 -62,-2.7 -1,-0.2 -2,-0.6 -61,-0.1 0.898 129.8 -52.5 48.9 45.2 -8.9 56.5 8.1 64 64 A G T 3 S+ 0 0 54 -63,-0.2 2,-0.7 1,-0.2 -1,-0.3 0.382 113.6 120.8 77.8 -2.8 -6.3 54.8 5.8 65 65 A M E < -C 62 0A 94 -3,-2.0 -3,-2.6 2,-0.0 -1,-0.2 -0.856 64.3-130.8 -93.7 114.7 -8.6 55.0 2.8 66 66 A E E > -C 61 0A 12 -2,-0.7 3,-2.6 -5,-0.3 -5,-0.2 -0.377 22.3-119.0 -63.0 140.0 -7.0 56.9 -0.1 67 67 A V G > S+ 0 0 8 -7,-2.8 3,-1.9 1,-0.3 -1,-0.1 0.836 112.3 61.9 -58.9 -31.3 -9.4 59.5 -1.3 68 68 A R G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -8,-0.2 -2,-0.1 0.684 101.3 55.9 -63.2 -17.3 -9.5 58.0 -4.9 69 69 A K G < S+ 0 0 178 -3,-2.6 2,-0.6 1,-0.1 -1,-0.3 0.206 93.0 87.7 -99.3 11.2 -10.8 54.8 -3.2 70 70 A I < + 0 0 37 -3,-1.9 3,-0.2 1,-0.2 -1,-0.1 -0.925 33.3 161.1-118.6 113.5 -13.8 56.7 -1.7 71 71 A R S S- 0 0 219 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.870 84.4 -7.7 -87.3 -46.2 -17.1 57.2 -3.4 72 72 A N - 0 0 61 29,-0.0 2,-0.5 3,-0.0 -1,-0.4 -0.976 56.6-170.0-147.0 141.1 -18.9 57.9 -0.2 73 73 A Y > - 0 0 35 -2,-0.3 3,-1.8 3,-0.2 -3,-0.0 -0.975 14.2-154.0-127.8 113.1 -17.9 57.6 3.5 74 74 A I T 3 S+ 0 0 92 -2,-0.5 -1,-0.1 1,-0.3 26,-0.0 0.767 91.8 57.7 -60.4 -27.2 -20.8 58.0 5.8 75 75 A R T 3 S+ 0 0 132 72,-0.1 74,-2.1 73,-0.1 73,-1.6 0.450 95.4 75.8 -83.5 -4.3 -18.6 59.3 8.7 76 76 A Y E < +f 149 0B 11 -3,-1.8 2,-0.3 71,-0.2 74,-0.2 -0.906 57.5 177.7-108.5 139.4 -17.2 62.2 6.7 77 77 A S E -f 150 0B 3 72,-1.8 74,-2.2 -2,-0.4 2,-0.3 -0.977 8.5-173.5-134.0 152.7 -19.1 65.4 6.0 78 78 A T E -f 151 0B 11 -2,-0.3 74,-0.2 72,-0.2 -2,-0.0 -0.970 23.5-148.2-136.8 152.8 -18.3 68.7 4.2 79 79 A N + 0 0 0 72,-1.3 60,-0.1 -2,-0.3 73,-0.1 0.293 54.1 136.4 -95.0 8.3 -20.3 72.0 3.9 80 80 A L > - 0 0 0 71,-0.4 3,-2.1 1,-0.1 4,-0.3 -0.279 63.5-126.9 -60.8 139.2 -18.7 72.6 0.4 81 81 A P G > S+ 0 0 59 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.835 106.3 68.5 -58.8 -31.5 -21.4 73.8 -2.0 82 82 A E G 3 S+ 0 0 88 1,-0.3 -2,-0.1 3,-0.1 -3,-0.0 0.724 92.3 60.9 -57.9 -24.5 -20.3 71.0 -4.5 83 83 A A G < S+ 0 0 24 -3,-2.1 2,-0.3 2,-0.0 -1,-0.3 0.555 102.8 60.1 -78.4 -8.6 -21.7 68.4 -2.1 84 84 A Y S < S- 0 0 12 -3,-2.1 2,-1.0 -4,-0.3 3,-0.1 -0.926 84.0-119.6-130.9 146.7 -25.3 69.9 -2.3 85 85 A E > - 0 0 117 -2,-0.3 3,-0.7 1,-0.2 41,-0.4 -0.745 18.2-164.7 -94.3 104.1 -27.6 70.4 -5.2 86 86 A I T 3 S+ 0 0 97 -2,-1.0 41,-3.5 1,-0.2 42,-0.3 0.868 83.7 60.5 -55.6 -35.0 -28.3 74.1 -5.5 87 87 A G T 3 S+ 0 0 43 39,-0.2 -1,-0.2 38,-0.1 2,-0.1 0.783 94.4 63.6 -67.6 -39.3 -31.3 73.4 -7.8 88 88 A V S < S- 0 0 48 -3,-0.7 38,-2.3 1,-0.2 39,-0.3 -0.331 93.9 -84.7 -83.6 172.0 -33.6 71.3 -5.5 89 89 A T B > -I 125 0C 21 36,-0.3 4,-1.8 1,-0.1 36,-0.3 -0.263 32.2-116.1 -71.9 158.8 -35.2 72.3 -2.2 90 90 A V H > S+ 0 0 0 34,-2.7 4,-2.8 31,-0.5 33,-0.2 0.916 118.5 55.7 -57.5 -44.1 -33.5 72.2 1.2 91 91 A N H > S+ 0 0 42 31,-2.8 4,-2.2 33,-0.3 -1,-0.2 0.902 105.1 52.0 -58.2 -39.1 -36.0 69.5 2.3 92 92 A D H > S+ 0 0 79 30,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.901 110.0 49.0 -62.4 -41.7 -35.0 67.4 -0.8 93 93 A I H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.905 106.5 56.2 -65.7 -42.3 -31.4 67.7 0.3 94 94 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.933 106.7 50.2 -53.9 -48.4 -32.3 66.7 3.9 95 95 A Y H X S+ 0 0 134 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.919 111.3 47.8 -56.7 -47.5 -33.9 63.5 2.5 96 96 A L H >X S+ 0 0 77 -4,-2.0 4,-3.0 1,-0.2 3,-0.8 0.946 113.0 48.2 -56.9 -47.6 -30.8 62.6 0.4 97 97 A Y H 3X>S+ 0 0 14 -4,-2.8 6,-2.2 1,-0.3 4,-2.2 0.790 98.8 67.3 -71.0 -25.3 -28.4 63.3 3.4 98 98 A E H 3<5S+ 0 0 50 -4,-2.1 -1,-0.3 4,-0.3 -2,-0.2 0.881 116.8 27.7 -55.6 -39.8 -30.5 61.2 5.8 99 99 A E H <<5S+ 0 0 157 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.880 122.0 50.4 -87.0 -45.3 -29.5 58.2 3.7 100 100 A L H <5S+ 0 0 47 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.863 134.9 7.3 -65.3 -39.8 -26.1 59.3 2.3 101 101 A K T <5S- 0 0 24 -4,-2.2 -1,-0.2 -5,-0.2 -3,-0.2 0.319 101.9-106.3-124.0 0.5 -24.6 60.4 5.6 102 102 A G < - 0 0 50 -5,-0.5 -4,-0.3 1,-0.2 -3,-0.2 0.867 50.8-172.1 69.2 33.1 -27.2 59.2 8.2 103 103 A L - 0 0 8 -6,-2.2 2,-0.7 -9,-0.1 42,-0.3 -0.373 20.1-133.2 -58.7 138.5 -28.3 62.8 8.8 104 104 A D > - 0 0 74 40,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.869 10.7-157.7 -97.4 110.5 -30.8 63.2 11.7 105 105 A R H > S+ 0 0 48 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.883 91.1 53.3 -58.3 -41.8 -33.7 65.4 10.5 106 106 A D H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 110.2 47.1 -61.6 -43.7 -34.7 66.4 14.1 107 107 A L H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 111.7 51.4 -64.1 -45.0 -31.1 67.5 14.9 108 108 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.905 111.3 47.1 -55.2 -45.7 -31.0 69.5 11.6 109 109 A L H X S+ 0 0 48 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.872 108.5 55.8 -65.3 -37.0 -34.4 71.1 12.4 110 110 A E H X S+ 0 0 100 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.907 108.8 47.3 -59.7 -44.7 -33.0 71.9 15.9 111 111 A M H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.924 111.1 50.5 -61.9 -46.7 -30.0 73.7 14.3 112 112 A L H <>S+ 0 0 4 -4,-2.3 5,-2.1 2,-0.2 -2,-0.2 0.948 112.4 47.9 -58.8 -45.4 -32.3 75.7 11.9 113 113 A K H ><5S+ 0 0 171 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.925 110.2 50.4 -61.3 -47.2 -34.5 76.8 14.8 114 114 A A H 3<5S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 110.2 52.3 -56.5 -32.7 -31.5 77.8 17.0 115 115 A L T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.384 111.5-124.4 -84.2 1.4 -30.3 79.8 13.9 116 116 A K T < 5 + 0 0 166 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.920 61.0 147.0 47.0 48.4 -33.7 81.6 13.7 117 117 A L < - 0 0 10 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.986 52.1-109.9-107.9 124.7 -34.0 80.4 10.1 118 118 A G > - 0 0 29 -2,-0.5 3,-2.1 -3,-0.1 4,-0.3 -0.022 12.5-113.7 -65.1 158.0 -37.7 79.8 9.5 119 119 A E G > S+ 0 0 120 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.764 115.6 66.2 -53.0 -31.0 -39.6 76.5 8.9 120 120 A E G >> S+ 0 0 123 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.652 78.2 80.5 -68.9 -19.7 -40.2 77.8 5.4 121 121 A I G X4 S+ 0 0 5 -3,-2.1 3,-0.7 1,-0.2 -31,-0.5 0.815 84.8 62.8 -59.7 -29.0 -36.5 77.6 4.6 122 122 A L G <4 S+ 0 0 13 -3,-1.1 -31,-2.8 -4,-0.3 -30,-0.3 0.869 101.2 50.5 -58.7 -40.6 -37.0 73.8 4.0 123 123 A R G <4 S+ 0 0 214 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.616 95.3 95.9 -77.4 -14.1 -39.4 74.5 1.2 124 124 A R S << S- 0 0 74 -3,-0.7 -34,-2.7 -4,-0.6 -33,-0.3 -0.470 81.2-112.7 -80.8 145.9 -36.9 76.9 -0.5 125 125 A K B > -I 89 0C 91 -36,-0.3 3,-1.0 -2,-0.2 4,-0.3 -0.582 24.7-128.6 -73.4 140.5 -34.5 75.9 -3.2 126 126 A L G > S+ 0 0 4 -38,-2.3 3,-2.0 -41,-0.4 -39,-0.2 0.899 105.2 57.5 -60.1 -46.1 -30.9 76.0 -2.1 127 127 A Y G 3 S+ 0 0 100 -41,-3.5 -1,-0.2 1,-0.3 -40,-0.1 0.726 100.9 60.8 -52.8 -25.6 -29.6 78.1 -5.0 128 128 A K G < S+ 0 0 104 -3,-1.0 -1,-0.3 -42,-0.3 -2,-0.2 0.548 83.7 102.5 -87.4 -9.4 -32.1 80.8 -4.0 129 129 A L S < S- 0 0 15 -3,-2.0 -3,-0.0 -4,-0.3 -8,-0.0 -0.420 77.7-108.4 -76.3 150.6 -30.7 81.3 -0.5 130 130 A S > - 0 0 61 -2,-0.1 4,-3.1 1,-0.1 5,-0.2 -0.191 37.2-100.6 -64.3 166.0 -28.5 84.3 0.4 131 131 A A H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 124.2 45.1 -56.7 -50.3 -24.7 83.7 1.0 132 132 A G H > S+ 0 0 10 26,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.932 116.8 45.3 -60.2 -47.4 -25.2 83.7 4.8 133 133 A Q H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.907 111.4 53.0 -61.6 -44.9 -28.2 81.5 4.7 134 134 A S H X S+ 0 0 17 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.929 111.9 44.3 -57.1 -52.1 -26.6 79.0 2.2 135 135 A V H X S+ 0 0 8 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.876 113.2 51.3 -64.2 -38.2 -23.5 78.5 4.4 136 136 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.940 113.2 44.9 -64.3 -44.4 -25.5 78.1 7.5 137 137 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.937 115.3 47.8 -62.9 -45.6 -27.8 75.5 5.9 138 138 A R H X S+ 0 0 26 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.895 113.0 47.3 -65.5 -40.5 -24.7 73.7 4.4 139 139 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.928 112.5 50.7 -63.9 -41.8 -22.8 73.7 7.7 140 140 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.927 109.7 50.0 -63.3 -44.5 -26.0 72.5 9.4 141 141 A L H X S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.918 111.0 50.0 -56.8 -45.5 -26.4 69.6 6.9 142 142 A A H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.921 117.4 39.7 -58.7 -44.5 -22.7 68.6 7.4 143 143 A L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.746 98.9 72.1 -81.5 -25.9 -23.1 68.5 11.2 144 144 A A H 3< S+ 0 0 0 -4,-2.3 -40,-2.2 1,-0.3 -1,-0.2 0.636 90.4 61.9 -74.4 -10.6 -26.5 67.0 11.5 145 145 A S T << S- 0 0 13 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 0.365 108.2-125.8 -84.0 4.1 -25.1 63.6 10.4 146 146 A Q < - 0 0 115 -3,-2.1 -2,-0.1 1,-0.1 -3,-0.1 0.941 36.8-159.6 49.3 57.0 -22.9 63.6 13.5 147 147 A P - 0 0 3 0, 0.0 28,-0.6 0, 0.0 29,-0.5 -0.275 23.6-147.7 -64.4 147.0 -19.7 63.1 11.3 148 148 A E S S+ 0 0 98 -73,-1.6 29,-1.9 1,-0.2 2,-0.4 0.752 91.9 29.8 -75.3 -28.3 -16.6 61.7 12.9 149 149 A I E S-fg 76 177B 1 -74,-2.1 -72,-1.8 27,-0.2 2,-0.3 -0.999 74.2-176.3-137.5 131.5 -14.6 63.8 10.4 150 150 A V E -fg 77 178B 2 27,-2.0 29,-2.6 -2,-0.4 2,-0.6 -0.967 19.3-157.6-134.4 143.9 -15.6 67.1 8.8 151 151 A G E -fg 78 179B 2 -74,-2.2 -72,-1.3 -2,-0.3 2,-0.6 -0.961 22.4-170.8-116.1 111.4 -14.1 69.6 6.2 152 152 A L E - g 0 180B 1 27,-3.2 29,-3.1 -2,-0.6 2,-0.5 -0.910 9.1-158.1-112.8 120.7 -15.6 73.0 6.8 153 153 A D E - g 0 181B 21 -2,-0.6 29,-0.1 27,-0.2 -14,-0.0 -0.848 67.8 -38.3 -94.9 124.2 -15.1 75.8 4.3 154 154 A E > + 0 0 14 27,-2.3 3,-1.0 -2,-0.5 -1,-0.2 0.784 67.9 177.6 36.3 58.9 -15.5 79.5 5.6 155 155 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -16,-0.1 0.608 74.3 45.5 -72.0 -5.0 -18.5 78.7 7.9 156 156 A F T > S+ 0 0 3 2,-0.0 3,-1.6 11,-0.0 2,-0.1 0.461 78.5 118.1-114.9 -6.7 -18.7 82.3 9.2 157 157 A E T < S+ 0 0 55 -3,-1.0 -22,-0.2 1,-0.3 3,-0.1 -0.434 89.4 4.0 -72.7 133.2 -18.4 84.3 6.0 158 158 A N T 3 S+ 0 0 113 1,-0.2 2,-0.5 -2,-0.1 -26,-0.3 0.660 102.5 125.9 67.5 16.1 -21.5 86.5 5.3 159 159 A V < - 0 0 11 -3,-1.6 -1,-0.2 -27,-0.1 5,-0.1 -0.916 63.1-119.9-109.2 129.7 -23.0 85.3 8.6 160 160 A D > - 0 0 84 -2,-0.5 4,-2.1 -3,-0.1 5,-0.2 -0.216 31.7-103.0 -66.1 158.8 -24.1 87.9 11.2 161 161 A A H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.849 117.6 50.7 -52.0 -45.2 -22.5 87.9 14.6 162 162 A A H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 113.3 44.3 -62.2 -46.8 -25.3 86.3 16.5 163 163 A R H > S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.785 106.9 61.2 -71.3 -26.7 -25.7 83.4 14.0 164 164 A R H X S+ 0 0 26 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.898 106.3 47.2 -60.1 -42.3 -21.9 83.0 14.0 165 165 A H H X S+ 0 0 62 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.872 112.0 49.5 -66.8 -39.7 -22.1 82.3 17.7 166 166 A V H X S+ 0 0 32 -4,-1.7 4,-1.4 2,-0.2 3,-0.2 0.953 114.1 43.8 -64.0 -49.7 -24.9 79.8 17.3 167 167 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.851 109.2 58.2 -67.9 -31.9 -23.1 77.9 14.4 168 168 A S H X S+ 0 0 2 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.880 101.5 55.7 -63.4 -39.0 -19.8 77.9 16.4 169 169 A R H X S+ 0 0 158 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.919 112.1 42.7 -59.9 -41.5 -21.5 76.1 19.3 170 170 A Y H X S+ 0 0 22 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.869 110.8 54.7 -73.2 -38.0 -22.6 73.4 16.8 171 171 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.892 112.0 45.6 -58.5 -40.6 -19.2 73.3 15.1 172 172 A K H < S+ 0 0 70 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.846 116.6 44.2 -75.4 -30.7 -17.6 72.7 18.5 173 173 A E H < S+ 0 0 128 -4,-1.6 2,-0.2 -5,-0.2 -2,-0.2 0.846 112.4 51.0 -82.3 -36.4 -20.1 70.1 19.6 174 174 A Y S < S+ 0 0 29 -4,-2.7 -26,-0.1 1,-0.2 -30,-0.1 -0.669 97.7 28.6-110.6 158.2 -20.3 68.0 16.4 175 175 A G - 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0 0 5 -3,-1.8 2,-1.8 -4,-0.4 -2,-0.1 0.819 54.5-168.6 -56.6 -40.5 -3.9 92.3 12.3 252 252 A G + 0 0 58 -4,-0.3 -67,-0.4 -3,-0.1 2,-0.3 -0.298 66.0 32.3 84.1 -54.2 -7.3 92.7 10.6 253 253 A S > - 0 0 38 -2,-1.8 3,-1.6 -69,-0.1 4,-0.2 -0.999 67.7-136.7-142.7 137.9 -6.2 90.8 7.5 254 254 A L T > S+ 0 0 3 -71,-0.5 3,-1.8 -2,-0.3 4,-0.4 0.737 101.5 72.1 -62.5 -24.6 -3.8 87.9 6.8 255 255 A N T >> S+ 0 0 83 1,-0.3 3,-1.3 2,-0.2 4,-1.2 0.791 82.5 73.1 -63.4 -20.6 -2.5 89.7 3.8 256 256 A R H <> S+ 0 0 142 -3,-1.6 4,-3.2 1,-0.3 -1,-0.3 0.679 78.7 73.6 -70.0 -13.9 -0.8 92.0 6.2 257 257 A I H <> S+ 0 0 1 -3,-1.8 4,-0.6 2,-0.2 -1,-0.3 0.882 100.4 44.6 -59.5 -39.2 1.7 89.2 7.0 258 258 A Y H <4 S+ 0 0 86 -3,-1.3 3,-0.4 -4,-0.4 -2,-0.2 0.900 114.2 51.7 -68.9 -40.0 3.2 90.0 3.6 259 259 A G H < S+ 0 0 60 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.909 97.6 60.7 -65.4 -49.6 3.0 93.7 4.4 260 260 A I H < 0 0 61 -4,-3.2 -1,-0.2 1,-0.3 -40,-0.2 0.808 360.0 360.0 -52.6 -24.8 4.7 93.8 7.7 261 261 A I < 0 0 40 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.330 360.0 360.0-100.7 360.0 7.7 92.4 5.8