==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-FEB-04 1SFS . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR G.MINASOV,J.S.BRUNZELLE,L.SHUVALOVA,S.F.MOY,F.R.COLLART, . 213 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 13 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 0 0 0 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 4 A G 0 0 78 0, 0.0 2,-0.4 0, 0.0 204,-0.2 0.000 360.0 360.0 360.0 141.0 42.0 33.0 22.7 2 5 A I E -A 204 0A 45 202,-2.5 202,-2.0 25,-0.0 2,-0.3 -0.780 360.0-127.8 -86.2 138.9 39.6 31.6 25.4 3 6 A W E +A 203 0A 6 -2,-0.4 24,-2.9 200,-0.2 25,-0.4 -0.710 39.8 142.5-102.4 142.9 38.9 27.9 24.7 4 7 A G E -A 202 0A 0 198,-2.5 198,-2.9 -2,-0.3 2,-0.2 -0.879 29.2-132.7-159.1-173.0 35.5 26.2 24.5 5 8 A V E -Ab 201 29A 0 23,-2.0 25,-2.6 -2,-0.3 2,-0.3 -0.798 5.4-149.6-138.5 176.2 33.5 23.6 22.7 6 9 A D E -Ab 200 30A 0 194,-1.4 194,-2.5 23,-0.3 2,-0.3 -0.974 13.5-173.2-147.4 157.6 30.1 23.0 21.1 7 10 A S - 0 0 1 23,-2.2 25,-0.4 -2,-0.3 192,-0.1 -0.990 32.6-140.9-153.0 146.7 27.9 19.9 20.7 8 11 A A S S+ 0 0 43 -2,-0.3 33,-2.9 190,-0.3 24,-0.2 0.834 89.7 66.6 -65.9 -35.1 24.8 18.7 19.0 9 12 A Q S S- 0 0 79 189,-0.4 -2,-0.1 31,-0.2 23,-0.0 -0.481 97.7 -83.8 -94.0 161.0 23.8 16.7 22.1 10 13 A V - 0 0 36 -2,-0.2 2,-1.4 1,-0.1 -1,-0.1 -0.286 40.2-114.9 -56.0 140.9 22.9 17.9 25.6 11 14 A V + 0 0 0 -4,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.678 43.8 175.6 -80.7 96.3 25.6 18.7 28.1 12 15 A T > - 0 0 62 -2,-1.4 4,-2.6 1,-0.1 5,-0.2 -0.494 48.2-101.4 -84.0 167.4 25.1 16.0 30.7 13 16 A D H > S+ 0 0 78 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.921 124.0 53.3 -59.0 -39.0 27.5 15.8 33.6 14 17 A Q H > S+ 0 0 135 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.937 108.5 47.7 -64.6 -41.1 29.2 12.8 31.9 15 18 A L H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 113.4 49.1 -65.2 -42.0 29.7 14.8 28.7 16 19 A F H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.934 112.1 48.1 -57.6 -48.5 31.1 17.7 30.7 17 20 A Q H X S+ 0 0 41 -4,-2.9 4,-2.4 -5,-0.2 5,-0.3 0.865 107.7 56.0 -64.4 -35.1 33.4 15.5 32.6 18 21 A a H X S+ 0 0 17 -4,-2.6 4,-2.4 -5,-0.2 5,-0.5 0.957 114.3 39.7 -55.7 -52.8 34.5 13.8 29.4 19 22 A V H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-2.5 0.954 114.3 52.7 -60.6 -49.9 35.5 17.2 28.0 20 23 A R H <5S+ 0 0 112 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.891 120.0 32.9 -56.6 -44.5 37.0 18.5 31.3 21 24 A T H <5S+ 0 0 78 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.756 127.8 34.6 -91.6 -25.2 39.3 15.5 31.8 22 25 A E H <5S+ 0 0 94 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.745 134.7 11.6-104.4 -22.2 40.2 14.5 28.2 23 26 A L T <5S- 0 0 14 -4,-2.5 145,-2.7 -5,-0.5 146,-0.5 0.782 107.8 -87.4-120.8 -49.0 40.3 17.9 26.4 24 27 A G < - 0 0 11 -5,-2.7 -1,-0.3 143,-0.2 -2,-0.2 -0.928 50.6 -54.0 155.2-178.6 40.3 20.8 28.8 25 28 A Y - 0 0 84 -2,-0.3 2,-0.2 -4,-0.1 -22,-0.2 -0.788 53.1-142.7 -95.2 108.3 38.1 23.1 30.8 26 29 A P - 0 0 0 0, 0.0 -22,-0.3 0, 0.0 3,-0.1 -0.509 13.3-164.7 -74.4 139.5 35.6 24.9 28.4 27 30 A K S S+ 0 0 67 -24,-2.9 30,-2.2 -2,-0.2 2,-0.3 0.679 80.3 17.2 -89.9 -17.9 34.8 28.5 29.1 28 31 A F E - c 0 57A 0 -25,-0.4 -23,-2.0 28,-0.2 2,-0.4 -0.965 65.7-153.6-150.2 157.3 31.8 28.4 26.8 29 32 A W E -bc 5 58A 1 28,-2.4 30,-2.6 -2,-0.3 2,-0.3 -0.955 15.6-137.9-141.9 113.0 29.7 25.6 25.2 30 33 A G E +bc 6 59A 0 -25,-2.6 -23,-2.2 -2,-0.4 2,-0.3 -0.587 33.7 167.9 -73.6 129.2 27.8 26.0 21.9 31 34 A R E - c 0 60A 0 28,-2.8 30,-2.2 -2,-0.3 2,-0.3 -0.964 33.1-103.6-145.3 157.1 24.4 24.5 22.1 32 35 A Y E -dc 42 61A 29 9,-0.6 11,-2.4 -25,-0.4 30,-0.2 -0.620 10.5-146.1 -94.5 138.8 21.2 24.6 20.0 33 36 A L S S+ 0 0 3 28,-3.1 2,-0.3 -2,-0.3 29,-0.1 0.720 82.0 20.3 -69.8 -26.6 18.1 26.5 20.8 34 37 A S S S- 0 0 14 27,-0.4 2,-0.4 8,-0.1 29,-0.1 -0.941 84.8 -94.1-146.8 163.0 15.7 23.9 19.3 35 38 A E - 0 0 120 -2,-0.3 6,-0.2 6,-0.1 -2,-0.0 -0.668 31.2-177.8 -78.3 128.0 15.5 20.3 18.4 36 39 A V B >> -J 40 0B 12 4,-2.2 4,-2.5 -2,-0.4 3,-2.1 -0.978 34.1-117.2-124.7 113.1 16.2 19.3 14.8 37 40 A P T 34 S+ 0 0 98 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.235 96.1 5.9 -53.7 137.4 15.8 15.6 14.1 38 41 A N T 34 S+ 0 0 174 1,-0.2 3,-0.1 2,-0.0 0, 0.0 0.590 134.2 55.5 68.3 13.6 18.9 13.8 13.1 39 42 A V T <4 S+ 0 0 87 -3,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.586 104.2 4.5-142.7 -53.9 20.9 17.0 13.7 40 43 A S B < -J 36 0B 4 -4,-2.5 -4,-2.2 -9,-0.0 2,-0.5 -1.000 48.1-135.6-149.1 147.7 20.6 18.7 17.1 41 44 A E - 0 0 84 -33,-2.9 -9,-0.6 -2,-0.3 -6,-0.1 -0.851 37.0-121.9 -96.5 130.4 19.2 18.3 20.6 42 45 A G B -d 32 0A 11 -2,-0.5 -9,-0.2 -9,-0.1 -7,-0.1 -0.355 23.0-104.4 -73.5 155.2 17.6 21.4 21.9 43 46 A L - 0 0 12 -11,-2.4 2,-0.3 -2,-0.1 -1,-0.1 -0.286 31.9-163.7 -63.5 154.2 18.5 23.2 25.1 44 47 A T > - 0 0 70 1,-0.1 4,-2.3 44,-0.1 5,-0.2 -0.929 33.8-112.5-131.3 163.4 16.4 23.1 28.2 45 48 A R H > S+ 0 0 144 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.909 118.5 55.0 -60.0 -42.3 16.3 25.2 31.3 46 49 A D H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 108.0 49.0 -58.8 -42.4 17.7 22.3 33.4 47 50 A E H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 109.1 52.0 -65.7 -42.0 20.6 21.9 31.0 48 51 A I H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.918 107.2 53.7 -59.3 -42.9 21.4 25.6 31.2 49 52 A V H X S+ 0 0 101 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.925 110.9 46.3 -56.7 -45.9 21.4 25.4 35.0 50 53 A R H X S+ 0 0 70 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.954 110.8 50.8 -64.8 -45.2 23.9 22.7 34.9 51 54 A I H ><>S+ 0 0 1 -4,-2.7 5,-1.6 1,-0.2 3,-1.1 0.949 112.6 47.0 -56.2 -47.0 26.2 24.3 32.3 52 55 A R H ><5S+ 0 0 113 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.823 101.0 66.8 -65.1 -29.4 26.2 27.5 34.4 53 56 A N H 3<5S+ 0 0 118 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.794 99.9 52.0 -60.9 -27.2 26.9 25.4 37.5 54 57 A Y T <<5S- 0 0 29 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.379 121.1-108.7 -85.9 1.8 30.3 24.6 36.0 55 58 A G T < 5S+ 0 0 64 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.786 76.1 138.5 74.8 22.2 31.1 28.2 35.4 56 59 A V < - 0 0 2 -5,-1.6 2,-0.3 -28,-0.0 -1,-0.3 -0.841 50.5-129.9-104.5 140.1 30.7 27.7 31.6 57 60 A K E -c 28 0A 63 -30,-2.2 -28,-2.4 -2,-0.4 2,-0.4 -0.716 19.0-125.6 -86.3 138.0 28.9 30.2 29.4 58 61 A V E -c 29 0A 1 155,-3.1 155,-1.1 -2,-0.3 -28,-0.2 -0.723 16.1-159.8 -82.0 126.8 26.1 29.0 27.0 59 62 A L E -c 30 0A 0 -30,-2.6 -28,-2.8 -2,-0.4 2,-0.3 -0.954 19.4-146.2-101.7 113.2 26.7 29.9 23.4 60 63 A P E -c 31 0A 2 0, 0.0 37,-2.7 0, 0.0 2,-0.4 -0.640 15.7-170.4 -92.5 138.6 23.3 29.7 21.8 61 64 A I E -ce 32 97A 2 -30,-2.2 -28,-3.1 -2,-0.3 2,-0.5 -0.974 13.5-152.8-126.4 131.5 22.8 28.6 18.2 62 65 A Y E + e 0 98A 10 35,-3.2 37,-2.7 -2,-0.4 19,-0.1 -0.909 27.6 155.4-101.2 127.6 19.6 28.6 16.0 63 66 A N + 0 0 10 -2,-0.5 2,-1.0 35,-0.2 -1,-0.1 0.199 30.6 115.2-138.9 20.8 19.7 26.0 13.3 64 67 A A + 0 0 23 13,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.259 63.7 81.0 -94.3 52.8 16.1 25.3 12.4 65 68 A F - 0 0 21 -2,-1.0 3,-0.1 34,-0.1 34,-0.0 -0.973 56.4-161.8-157.2 149.7 16.4 26.6 8.9 66 69 A R S S+ 0 0 162 -2,-0.3 2,-0.3 1,-0.1 39,-0.2 0.292 77.7 32.6-114.6 -8.7 17.8 25.1 5.7 67 70 A E - 0 0 107 37,-0.1 39,-0.1 2,-0.1 -1,-0.1 -0.967 57.8-150.8-154.8 148.1 18.4 28.2 3.5 68 71 A A B +k 106 0C 0 37,-2.6 39,-2.2 -2,-0.3 2,-0.4 -0.399 54.5 120.7-127.5 55.1 19.4 31.8 4.3 69 72 A V + 0 0 42 37,-0.3 4,-0.2 41,-0.1 -2,-0.1 -0.940 49.3 30.0-120.3 135.9 17.7 33.7 1.5 70 73 A G > - 0 0 19 -2,-0.4 4,-2.1 3,-0.1 5,-0.2 0.418 68.7-110.7 96.0 136.3 15.2 36.4 1.7 71 74 A Y H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.951 116.7 49.9 -61.6 -49.0 14.3 39.2 4.1 72 75 A A H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 110.5 50.7 -60.0 -39.1 11.0 37.7 5.2 73 76 A N H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 109.3 50.4 -65.7 -40.4 12.7 34.3 5.8 74 77 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.867 108.7 52.6 -65.1 -35.4 15.4 36.0 7.9 75 78 A Q H X S+ 0 0 50 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.934 109.2 49.5 -62.8 -49.1 12.7 37.8 10.0 76 79 A V H X S+ 0 0 74 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.932 111.7 49.0 -57.1 -45.0 11.0 34.4 10.7 77 80 A A H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.926 112.7 46.7 -61.0 -47.5 14.3 32.9 11.7 78 81 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.914 112.5 49.8 -60.8 -46.0 15.1 35.8 14.1 79 82 A R H X S+ 0 0 146 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.906 112.4 47.8 -62.1 -39.5 11.6 35.7 15.6 80 83 A N H X S+ 0 0 64 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.896 110.5 51.7 -68.1 -39.5 11.8 32.0 16.2 81 84 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.926 111.6 46.9 -60.9 -45.7 15.3 32.3 17.7 82 85 A V H X S+ 0 0 20 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.904 109.1 55.2 -63.9 -41.9 14.1 34.9 20.1 83 86 A F H X S+ 0 0 96 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.934 112.2 42.6 -55.9 -46.6 11.0 32.9 21.0 84 87 A H H X S+ 0 0 38 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.908 113.2 51.8 -67.4 -42.3 13.2 29.9 22.0 85 88 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.4 0.905 112.0 46.8 -60.3 -42.8 15.7 32.1 23.8 86 89 A R H ><5S+ 0 0 164 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.848 109.6 53.8 -68.6 -35.8 12.9 33.7 25.8 87 90 A R H 3<5S+ 0 0 150 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.859 110.9 48.2 -64.4 -35.0 11.3 30.3 26.6 88 91 A L T 3<5S- 0 0 16 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.427 115.3-115.3 -85.3 -6.3 14.7 29.2 27.9 89 92 A G T < 5 + 0 0 25 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.731 54.1 162.8 78.0 23.6 15.2 32.2 30.1 90 93 A I < - 0 0 6 -5,-2.5 -1,-0.3 -6,-0.2 4,-0.1 -0.629 37.2-125.6 -74.1 124.3 18.3 33.6 28.2 91 94 A P - 0 0 50 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.201 27.2 -87.3 -69.1 165.3 18.6 37.3 29.3 92 95 A K S S+ 0 0 132 1,-0.2 31,-0.2 31,-0.1 30,-0.1 -0.127 105.1 41.5 -64.4 167.2 18.7 40.3 27.0 93 96 A N S S+ 0 0 114 29,-2.6 2,-0.3 1,-0.3 30,-0.2 0.782 88.7 124.1 53.6 39.0 21.9 41.7 25.5 94 97 A K - 0 0 36 -3,-0.4 30,-2.4 28,-0.2 -1,-0.3 -0.904 64.3-106.8-116.0 146.9 23.1 38.2 24.8 95 98 A L E - f 0 124A 0 116,-2.6 2,-0.4 -2,-0.3 118,-0.1 -0.518 22.8-166.4 -73.4 142.2 24.1 36.8 21.4 96 99 A L E - f 0 125A 0 28,-2.3 30,-2.8 -2,-0.2 2,-0.5 -0.999 17.8-146.3-122.6 121.9 22.0 34.3 19.4 97 100 A F E -ef 61 126A 0 -37,-2.7 -35,-3.2 -2,-0.4 2,-0.4 -0.799 2.0-142.4 -97.2 127.4 24.0 32.7 16.5 98 101 A A E -ef 62 127A 0 28,-2.5 30,-2.8 -2,-0.5 2,-1.2 -0.688 19.3-130.6 -80.3 131.8 22.4 31.7 13.2 99 102 A N E + f 0 128A 9 -37,-2.7 2,-1.0 -2,-0.4 30,-0.1 -0.655 30.2 177.0 -86.2 91.8 23.8 28.5 11.8 100 103 A I - 0 0 2 28,-2.8 30,-0.5 -2,-1.2 36,-0.1 -0.790 17.1-153.2-102.4 95.0 24.7 29.3 8.2 101 104 A E > - 0 0 53 -2,-1.0 3,-1.1 28,-0.1 35,-0.1 -0.249 25.6-110.8 -62.6 155.2 26.3 26.1 6.7 102 105 A D T 3 S+ 0 0 52 1,-0.3 33,-0.2 32,-0.1 34,-0.1 0.675 115.1 49.2 -66.9 -18.1 28.8 26.5 3.9 103 106 A F T 3 S+ 0 0 166 31,-0.1 -1,-0.3 2,-0.1 31,-0.1 0.579 86.8 110.1 -96.4 -8.5 26.5 25.0 1.2 104 107 A F S < S- 0 0 19 -3,-1.1 31,-0.6 1,-0.1 2,-0.3 -0.339 77.0-113.8 -59.7 146.7 23.4 27.0 2.1 105 108 A A - 0 0 37 -39,-0.2 -37,-2.6 29,-0.1 2,-0.3 -0.644 43.6-175.2 -67.3 139.5 22.2 29.7 -0.3 106 109 A V B -k 68 0C 10 -2,-0.3 2,-0.3 -39,-0.1 -37,-0.3 -0.999 10.2-177.8-141.0 136.6 22.8 33.0 1.5 107 110 A D > - 0 0 53 -39,-2.2 4,-1.6 -2,-0.3 3,-0.4 -0.903 38.2-112.8-133.9 164.3 21.8 36.5 0.5 108 111 A A H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.817 111.5 60.3 -62.3 -34.1 22.3 40.0 1.9 109 112 A A H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.860 103.3 50.6 -64.2 -39.2 18.6 40.5 2.6 110 113 A W H > S+ 0 0 2 -3,-0.4 4,-2.4 -42,-0.3 -1,-0.2 0.931 111.1 48.5 -63.0 -45.8 18.4 37.5 5.0 111 114 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 -43,-0.2 5,-0.2 0.924 110.7 51.5 -60.2 -45.6 21.4 38.8 6.9 112 115 A A H X S+ 0 0 17 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.919 110.4 48.7 -55.8 -46.8 19.9 42.2 7.1 113 116 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.880 109.1 52.6 -64.0 -40.9 16.6 40.8 8.4 114 117 A W H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.964 116.2 40.2 -56.2 -51.0 18.5 38.7 11.1 115 118 A V H X S+ 0 0 6 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.950 119.2 43.5 -63.5 -51.2 20.3 41.7 12.3 116 119 A E H < S+ 0 0 89 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.2 0.871 112.7 51.8 -70.5 -35.5 17.4 44.2 12.1 117 120 A T H X S+ 0 0 21 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.876 109.3 50.5 -70.2 -34.1 14.8 41.9 13.6 118 121 A L H >X>S+ 0 0 0 -4,-1.5 3,-1.1 -5,-0.3 5,-0.7 0.866 92.3 77.4 -68.9 -36.6 17.0 41.1 16.6 119 122 A Y H ><5S+ 0 0 157 -4,-1.5 3,-1.5 1,-0.3 -1,-0.2 0.837 93.6 46.3 -48.9 -51.5 17.7 44.7 17.6 120 123 A P H 345S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.796 107.0 61.1 -61.6 -30.1 14.4 45.6 19.2 121 124 A T H <<5S- 0 0 36 -3,-1.1 -2,-0.2 -4,-0.5 3,-0.1 0.593 107.7-120.3 -72.4 -16.5 14.4 42.4 21.2 122 125 A G T <<5S+ 0 0 15 -3,-1.5 -29,-2.6 -4,-0.6 2,-0.3 0.275 75.6 119.6 89.4 -13.8 17.6 43.1 23.1 123 126 A Y < - 0 0 10 -5,-0.7 -1,-0.4 -31,-0.2 -28,-0.2 -0.609 61.2-129.7 -82.8 148.8 19.3 40.0 21.7 124 127 A R E -f 95 0A 38 -30,-2.4 -28,-2.3 -2,-0.3 2,-0.4 -0.803 23.1-111.8 -99.3 139.4 22.5 40.6 19.7 125 128 A P E -f 96 0A 3 0, 0.0 30,-1.9 0, 0.0 2,-0.3 -0.542 32.7-175.3 -78.9 126.8 22.9 38.9 16.2 126 129 A G E -fg 97 155A 0 -30,-2.8 -28,-2.5 -2,-0.4 2,-0.4 -0.871 9.2-158.0-110.8 151.1 25.5 36.2 15.8 127 130 A L E -fg 98 156A 0 28,-2.6 30,-2.7 -2,-0.3 2,-0.6 -0.979 2.4-164.6-130.9 114.6 26.4 34.6 12.5 128 131 A Y E +fg 99 157A 13 -30,-2.8 -28,-2.8 -2,-0.4 2,-0.3 -0.922 40.7 129.7 -94.9 122.2 28.1 31.1 12.4 129 132 A A E - g 0 158A 0 28,-2.2 30,-2.2 -2,-0.6 31,-0.3 -0.981 62.2-104.4-165.6 166.0 29.5 30.7 9.0 130 133 A D > - 0 0 10 -30,-0.5 3,-0.9 -2,-0.3 7,-0.4 -0.919 22.1-167.1-104.7 105.5 32.4 29.9 6.7 131 134 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 0.413 86.2 51.1 -70.2 1.7 33.8 33.1 5.3 132 135 A T T 3 S+ 0 0 89 1,-0.1 2,-0.4 45,-0.1 3,-0.0 0.359 107.0 50.5-117.2 -4.9 35.9 31.0 2.8 133 136 A K S X S- 0 0 115 -3,-0.9 3,-0.6 27,-0.0 -3,-0.2 -0.994 99.5 -7.9-139.7 137.3 33.3 28.8 1.2 134 137 A G T 3 S- 0 0 55 -2,-0.4 3,-0.5 1,-0.2 4,-0.3 -0.086 100.2 -43.3 74.1-173.1 29.9 29.4 -0.2 135 138 A D T 3> S+ 0 0 86 -31,-0.6 4,-2.0 -33,-0.2 5,-0.2 0.465 103.0 93.3 -74.3 -14.4 27.8 32.6 -0.4 136 139 A F H <> S+ 0 0 4 -3,-0.6 4,-3.0 -6,-0.3 5,-0.3 0.903 81.2 50.1 -56.3 -52.4 28.2 33.9 3.2 137 140 A A H > S+ 0 0 14 -3,-0.5 4,-2.5 -7,-0.4 -1,-0.2 0.918 114.3 43.0 -61.1 -44.6 31.2 36.3 2.8 138 141 A A H > S+ 0 0 74 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.878 115.4 50.3 -65.8 -41.4 29.8 38.2 -0.2 139 142 A A H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 112.3 47.5 -60.6 -44.9 26.3 38.3 1.3 140 143 A Y H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.931 112.0 48.5 -61.5 -48.1 27.7 39.7 4.5 141 144 A b H X S+ 0 0 24 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.898 111.8 50.0 -66.6 -35.4 29.9 42.3 2.9 142 145 A E H X S+ 0 0 86 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.930 110.1 51.1 -64.2 -44.1 27.0 43.5 0.7 143 146 A A H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 7,-0.3 0.918 110.1 49.5 -59.0 -42.7 24.8 43.7 3.8 144 147 A V H < S+ 0 0 14 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.905 109.6 51.0 -62.7 -42.7 27.4 45.8 5.6 145 148 A S H < S+ 0 0 105 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.927 112.5 46.8 -61.1 -42.4 27.7 48.1 2.6 146 149 A R H < S+ 0 0 187 -4,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.814 134.2 9.7 -70.6 -28.3 24.0 48.6 2.6 147 150 A N >< - 0 0 57 -4,-1.8 3,-2.4 -5,-0.2 4,-0.4 -0.786 62.3-156.5-155.1 105.3 23.8 49.2 6.3 148 151 A N T >> S+ 0 0 92 -3,-0.3 4,-1.4 1,-0.3 3,-1.0 0.718 87.4 77.9 -61.0 -21.8 26.9 49.6 8.4 149 152 A Q H 3> S+ 0 0 85 1,-0.3 4,-3.0 2,-0.2 5,-0.5 0.744 81.0 69.2 -59.0 -21.3 25.0 48.5 11.5 150 153 A V H <> S+ 0 0 1 -3,-2.4 4,-2.0 -7,-0.3 -1,-0.3 0.932 104.9 40.8 -59.0 -44.5 25.4 44.9 10.3 151 154 A A H <4 S+ 0 0 3 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.826 117.3 48.9 -72.7 -33.9 29.1 45.2 11.0 152 155 A V H < S+ 0 0 62 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.931 123.1 28.9 -68.2 -49.7 28.5 47.1 14.3 153 156 A Q H < S+ 0 0 44 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.846 101.1 85.1 -84.9 -42.4 26.0 44.7 15.7 154 157 A A < - 0 0 0 -4,-2.0 30,-0.5 -5,-0.5 2,-0.4 -0.427 55.5-159.7 -72.1 145.4 26.8 41.3 14.2 155 158 A V E -gh 126 184A 0 -30,-1.9 -28,-2.6 -2,-0.1 2,-0.4 -0.984 13.5-143.0-118.1 130.8 29.4 38.9 15.7 156 159 A I E -gh 127 185A 0 28,-2.8 31,-1.4 -2,-0.4 30,-1.3 -0.827 11.9-163.4-100.6 134.6 30.8 36.2 13.5 157 160 A W E -gh 128 187A 2 -30,-2.7 -28,-2.2 -2,-0.4 2,-0.4 -0.976 27.4-148.5-105.6 106.2 31.7 32.7 14.6 158 161 A S E -gh 129 188A 0 29,-2.7 31,-2.7 -2,-0.6 -28,-0.2 -0.695 18.7-162.0 -89.2 134.9 34.0 31.6 11.8 159 162 A A + 0 0 2 -30,-2.2 -29,-0.2 -2,-0.4 -1,-0.1 0.082 53.5 121.1 -96.9 21.9 34.2 27.9 10.7 160 163 A A + 0 0 6 -31,-0.3 17,-3.0 17,-0.2 2,-0.2 -0.993 51.8 22.2-149.7 154.1 37.5 28.3 8.9 161 164 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.704 66.7-165.3 -71.9 175.1 40.2 27.4 8.7 162 165 A R + 0 0 98 -2,-0.2 29,-0.1 1,-0.1 28,-0.1 -0.687 19.9 165.6-130.6 73.4 39.9 24.0 10.4 163 166 A P - 0 0 92 0, 0.0 28,-0.2 0, 0.0 2,-0.1 0.794 60.6 -93.4 -64.9 -23.0 43.3 22.6 11.4 164 167 A G - 0 0 26 26,-2.7 29,-0.1 -3,-0.1 27,-0.1 -0.398 46.2 -56.6 127.4 156.7 41.6 20.0 13.6 165 168 A T + 0 0 38 27,-0.4 2,-0.3 -2,-0.1 27,-0.1 -0.304 53.8 171.6 -63.7 149.3 40.5 19.4 17.2 166 169 A T - 0 0 37 25,-0.1 5,-0.1 6,-0.0 2,-0.1 -0.965 39.1 -88.4-144.4 166.0 43.1 19.6 20.0 167 170 A K > - 0 0 97 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.363 48.1-107.6 -62.4 154.1 43.2 19.6 23.8 168 171 A E G > S+ 0 0 60 -145,-2.7 3,-1.5 1,-0.3 -144,-0.1 0.893 120.8 56.6 -51.1 -44.6 42.9 23.1 25.3 169 172 A Q G 3 S+ 0 0 194 -146,-0.5 -1,-0.3 1,-0.3 -145,-0.1 0.514 112.0 43.6 -66.9 -12.0 46.6 23.1 26.2 170 173 A K G < S+ 0 0 136 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.249 81.5 134.6-119.6 5.6 47.5 22.4 22.5 171 174 A A < - 0 0 29 -3,-1.5 3,-0.1 -4,-0.3 -6,-0.1 -0.209 55.3-113.8 -62.1 149.4 45.1 24.9 20.8 172 175 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.285 41.1 -77.7 -75.1 166.9 46.5 27.0 18.0 173 176 A R - 0 0 176 1,-0.1 2,-0.5 2,-0.1 30,-0.0 -0.326 61.8 -91.3 -55.0 142.4 47.0 30.7 18.1 174 177 A Y + 0 0 51 1,-0.1 -1,-0.1 -3,-0.1 30,-0.0 -0.473 69.3 142.5 -64.0 116.6 43.7 32.5 17.4 175 178 A Q + 0 0 84 -2,-0.5 -1,-0.1 -14,-0.1 -2,-0.1 -0.282 19.3 173.5-154.7 54.7 43.5 33.1 13.7 176 179 A P - 0 0 25 0, 0.0 2,-0.2 0, 0.0 9,-0.1 -0.361 38.1-108.4 -65.7 151.3 40.0 32.7 12.2 177 180 A A - 0 0 21 -17,-3.0 -17,-0.2 -16,-0.1 -45,-0.1 -0.514 40.5-161.0 -67.0 146.5 39.3 33.4 8.6 178 181 A A - 0 0 58 -2,-0.2 4,-0.1 -47,-0.1 -41,-0.0 -0.905 22.5-100.0-128.2 155.5 37.3 36.6 8.2 179 182 A P - 0 0 6 0, 0.0 2,-0.8 0, 0.0 -47,-0.1 -0.327 45.9-102.9 -67.2 162.3 35.1 38.1 5.5 180 183 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.073 98.0 53.6 -84.5 38.0 36.8 40.8 3.4 181 184 A b S S- 0 0 44 -2,-0.8 -40,-0.1 -30,-0.0 -41,-0.0 -0.911 105.3 -44.3-152.3 179.6 35.1 43.7 5.1 182 185 A S + 0 0 74 -2,-0.3 2,-0.3 -41,-0.1 -38,-0.1 -0.215 69.7 149.1 -56.8 131.1 34.4 45.1 8.6 183 186 A A - 0 0 30 -4,-0.1 2,-0.8 2,-0.0 -28,-0.1 -0.993 52.2-126.9-159.9 158.5 33.5 42.4 11.1 184 187 A N E -h 155 0A 34 -30,-0.5 -28,-2.8 -2,-0.3 2,-1.3 -0.838 31.1-177.4-104.2 86.4 33.6 41.3 14.8 185 188 A V E +h 156 0A 22 -2,-0.8 -28,-0.2 -30,-0.2 -30,-0.1 -0.720 20.5 151.2 -92.8 89.0 35.1 37.8 14.3 186 189 A W E + 0 0 16 -2,-1.3 19,-2.2 -30,-1.3 2,-0.3 0.420 52.7 49.2-106.1 -3.9 35.0 36.7 17.9 187 190 A V E -hI 157 204A 0 -31,-1.4 -29,-2.7 17,-0.2 2,-0.4 -0.995 58.1-169.7-136.6 147.5 34.7 32.9 17.8 188 191 A W E -hI 158 203A 1 15,-2.6 15,-2.2 -2,-0.3 2,-1.1 -0.963 15.0-153.4-140.7 116.6 36.6 30.4 15.7 189 192 A Q E + I 0 202A 4 -31,-2.7 13,-0.2 -2,-0.4 3,-0.1 -0.795 23.6 172.2 -85.6 100.2 35.6 26.7 15.3 190 193 A Y E + 0 0 0 11,-1.2 -26,-2.7 -2,-1.1 2,-0.3 0.588 60.0 20.0 -92.2 -9.6 39.1 25.3 14.6 191 194 A G E - I 0 201A 0 10,-1.5 10,-2.0 -28,-0.2 2,-0.4 -0.985 63.1-147.9-156.1 149.4 38.2 21.7 14.7 192 195 A R + 0 0 81 -2,-0.3 -27,-0.4 8,-0.2 8,-0.2 -0.923 69.8 5.9-117.8 145.7 35.2 19.4 14.4 193 196 A D - 0 0 115 -2,-0.4 7,-0.2 1,-0.1 -1,-0.2 0.958 58.3-162.9 56.9 72.5 34.4 16.0 16.0 194 197 A A - 0 0 6 5,-2.8 2,-1.9 3,-0.2 -1,-0.1 0.605 14.4-150.0 -60.0 -15.1 37.2 15.4 18.5 195 198 A E S S+ 0 0 182 2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 -0.146 87.2 72.9 65.9 -38.0 36.4 11.7 18.8 196 199 A V S S+ 0 0 89 -2,-1.9 -1,-0.2 1,-0.3 -173,-0.1 0.715 122.0 7.3 -72.3 -20.7 37.6 11.4 22.5 197 200 A a S S- 0 0 2 2,-0.2 2,-2.3 -175,-0.1 -2,-0.3 -0.935 90.6-108.4-151.2 143.9 34.4 13.3 23.3 198 201 A P S S+ 0 0 66 0, 0.0 -189,-0.4 0, 0.0 2,-0.3 -0.394 80.9 104.5 -82.8 68.3 31.6 14.1 20.7 199 202 A V - 0 0 1 -2,-2.3 -5,-2.8 -192,-0.1 2,-0.3 -0.925 64.7-125.2-138.3 161.0 32.3 17.8 20.6 200 203 A D E -A 6 0A 20 -194,-2.5 -194,-1.4 -2,-0.3 2,-0.4 -0.757 30.4-124.3 -99.8 159.0 33.9 20.5 18.3 201 204 A T E +AI 5 191A 0 -10,-2.0 -10,-1.5 -2,-0.3 -11,-1.2 -0.883 29.5 178.7-116.1 139.5 36.6 22.8 19.6 202 205 A N E -AI 4 189A 0 -198,-2.9 -198,-2.5 -2,-0.4 2,-0.3 -0.907 19.2-154.2-134.6 157.7 36.6 26.6 19.5 203 206 A L E -AI 3 188A 7 -15,-2.2 -15,-2.6 -2,-0.3 2,-0.3 -0.944 20.6-165.9-124.8 154.1 38.6 29.6 20.5 204 207 A A E -AI 2 187A 0 -202,-2.0 -202,-2.5 -2,-0.3 2,-0.3 -0.974 26.4-111.9-139.6 154.1 37.2 33.1 21.2 205 208 A D > - 0 0 33 -19,-2.2 3,-2.3 -2,-0.3 4,-0.3 -0.646 40.0-117.2 -72.6 138.4 38.0 36.7 21.7 206 209 A R G > S+ 0 0 179 -2,-0.3 3,-1.6 1,-0.3 4,-0.5 0.786 109.7 70.7 -47.7 -36.9 37.5 37.7 25.3 207 210 A R G >> S+ 0 0 125 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.777 85.3 70.9 -58.8 -24.2 34.8 40.2 24.3 208 211 A L G X4 S+ 0 0 0 -3,-2.3 3,-1.7 -22,-0.2 -1,-0.3 0.875 83.9 67.4 -57.5 -39.2 32.5 37.3 23.5 209 212 A L G X4 S+ 0 0 43 -3,-1.6 3,-1.8 -4,-0.3 -1,-0.2 0.836 90.0 59.7 -65.4 -33.4 32.0 36.3 27.1 210 213 A D G <4 S+ 0 0 119 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.792 105.7 52.5 -56.2 -29.7 30.0 39.3 28.2 211 214 A F G << S+ 0 0 51 -3,-1.7 -116,-2.6 -4,-0.5 2,-0.3 0.246 98.7 79.6 -96.7 11.1 27.5 38.5 25.5 212 215 A L < 0 0 1 -3,-1.8 -153,-0.1 -118,-0.2 -116,-0.1 -0.814 360.0 360.0-113.7 158.8 27.0 34.9 26.7 213 216 A Y 0 0 62 -155,-1.1 -155,-3.1 -2,-0.3 -2,-0.1 -0.886 360.0 360.0-102.4 360.0 24.9 33.6 29.6