==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 03-APR-09 2WFB . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN ORP; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR S.NAJMUDIN,C.BONIFACIO,A.G.DUARTE,A.S.PEREIRA,I.MOURA, . 120 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 7 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 1 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 123 0, 0.0 2,-0.3 0, 0.0 87,-0.1 0.000 360.0 360.0 360.0 168.5 4.8 45.0 16.6 2 2 A S - 0 0 49 85,-0.2 2,-0.6 67,-0.1 66,-0.2 -0.611 360.0-148.5 -78.3 134.7 3.2 43.3 13.6 3 3 A H E > -a 68 0A 90 64,-2.7 3,-2.3 -2,-0.3 66,-0.7 -0.924 7.0-145.0-108.3 119.1 5.4 43.2 10.5 4 4 A M E 3 S+ 0 0 109 -2,-0.6 65,-0.2 1,-0.3 -1,-0.1 0.804 96.3 55.5 -55.6 -36.5 3.4 43.3 7.2 5 5 A Q E 3 S+ 0 0 114 64,-0.1 30,-3.0 31,-0.1 2,-0.7 0.295 84.8 92.7 -83.8 8.1 5.7 40.9 5.3 6 6 A R E < - B 0 34A 77 -3,-2.3 63,-2.8 28,-0.2 64,-1.4 -0.920 64.2-167.4-100.6 108.1 5.3 38.2 7.9 7 7 A I E -aB 70 33A 1 26,-3.1 26,-3.0 -2,-0.7 2,-0.4 -0.875 7.1-159.9-104.5 116.6 2.4 36.2 6.6 8 8 A A E -aB 71 32A 0 62,-3.1 64,-3.0 -2,-0.6 2,-0.4 -0.812 7.9-170.6 -93.5 136.4 0.8 33.6 8.9 9 9 A V E -aB 72 31A 0 22,-1.9 22,-2.4 -2,-0.4 64,-0.2 -0.995 27.8-116.4-128.8 126.5 -1.3 30.8 7.2 10 10 A T E - B 0 30A 0 62,-2.3 11,-1.5 -2,-0.4 2,-0.3 -0.379 44.3-171.7 -59.9 134.4 -3.5 28.4 9.2 11 11 A A E -CB 20 29A 1 18,-3.1 18,-1.6 9,-0.3 17,-0.5 -0.942 40.2-141.2-140.8 152.1 -2.0 24.9 8.7 12 12 A E S S- 0 0 100 7,-0.9 8,-0.1 -2,-0.3 18,-0.1 0.508 88.4 -37.5 -89.8 -3.2 -2.8 21.3 9.4 13 13 A G S S- 0 0 20 6,-0.2 -1,-0.2 2,-0.1 5,-0.1 -0.937 92.0 -38.5 161.7-176.9 0.9 20.6 10.1 14 14 A P S S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 17,-0.1 -0.268 82.7 70.0 -72.5 155.0 4.4 21.7 8.9 15 15 A G S > S- 0 0 41 1,-0.1 3,-0.7 2,-0.1 85,-0.2 0.091 70.9-112.3 116.8 140.8 5.3 22.3 5.3 16 16 A L T 3 S+ 0 0 36 1,-0.2 85,-2.8 84,-0.1 86,-0.3 0.708 112.9 52.2 -73.7 -19.5 4.7 24.7 2.4 17 17 A D T 3 S+ 0 0 100 83,-0.2 -1,-0.2 82,-0.2 2,-0.1 0.417 84.0 100.9-104.9 4.4 2.8 22.2 0.4 18 18 A G S < S- 0 0 37 -3,-0.7 82,-2.5 -5,-0.1 83,-0.2 -0.410 82.3 -92.9 -74.6 165.1 0.2 21.0 3.0 19 19 A L B -G 99 0B 79 80,-0.3 -7,-0.9 1,-0.1 80,-0.3 -0.424 38.0-100.6 -80.6 153.2 -3.3 22.5 2.8 20 20 A V B -C 11 0A 2 78,-2.8 77,-0.5 75,-0.3 -9,-0.3 -0.501 38.8-118.2 -66.8 136.3 -4.5 25.6 4.6 21 21 A D - 0 0 15 -11,-1.5 53,-0.6 8,-0.2 -11,-0.2 -0.706 15.0-142.3 -72.1 124.7 -6.5 24.6 7.7 22 22 A P S S+ 0 0 40 0, 0.0 53,-2.9 0, 0.0 2,-0.3 0.686 80.8 74.2 -62.0 -15.4 -10.1 26.0 7.2 23 23 A R - 0 0 129 51,-0.2 -2,-0.1 1,-0.2 53,-0.1 -0.667 58.2-169.9-104.4 154.2 -10.2 26.8 10.9 24 24 A F S > S+ 0 0 5 51,-0.4 3,-1.7 -2,-0.3 -1,-0.2 0.847 79.8 35.6-102.9 -69.9 -8.4 29.5 12.8 25 25 A G T 3 S+ 0 0 13 1,-0.3 51,-0.1 23,-0.0 -2,-0.0 0.824 128.9 37.3 -59.2 -32.5 -8.6 29.3 16.6 26 26 A R T 3 S+ 0 0 70 23,-0.1 -1,-0.3 22,-0.1 -2,-0.1 0.059 84.5 134.6-112.3 20.8 -8.4 25.5 16.5 27 27 A A < - 0 0 0 -3,-1.7 22,-0.2 1,-0.1 -15,-0.1 -0.336 66.8-119.9 -57.2 149.6 -5.9 25.1 13.6 28 28 A A S S- 0 0 22 -17,-0.5 17,-2.6 1,-0.2 2,-0.3 0.882 79.0 -55.1 -58.5 -36.1 -3.1 22.6 14.2 29 29 A G E -BD 11 44A 0 -18,-1.6 -18,-3.1 15,-0.3 2,-0.4 -0.954 55.9 -90.5 178.6-168.0 -0.7 25.5 13.7 30 30 A F E -BD 10 43A 0 13,-2.3 13,-3.2 -2,-0.3 2,-0.7 -0.999 16.0-144.0-136.0 129.4 0.5 28.3 11.5 31 31 A V E -BD 9 42A 5 -22,-2.4 -22,-1.9 -2,-0.4 2,-0.5 -0.891 24.8-159.2 -89.1 118.2 3.1 28.3 8.8 32 32 A V E -BD 8 41A 7 9,-2.6 9,-2.2 -2,-0.7 2,-0.4 -0.910 11.7-173.4-104.4 122.3 4.6 31.8 9.1 33 33 A V E -BD 7 40A 1 -26,-3.0 -26,-3.1 -2,-0.5 2,-0.8 -0.926 27.0-132.6-123.8 140.9 6.5 33.1 6.0 34 34 A D E > -B 6 0A 48 5,-2.9 3,-0.9 -2,-0.4 -28,-0.2 -0.835 18.8-145.1 -88.6 112.5 8.6 36.1 5.3 35 35 A A T 3 S+ 0 0 22 -30,-3.0 2,-0.2 -2,-0.8 -1,-0.1 0.768 94.2 37.8 -51.3 -33.5 7.3 37.4 1.9 36 36 A A T 3 S+ 0 0 60 -31,-0.3 -1,-0.3 -3,-0.1 2,-0.2 -0.636 121.8 35.2-150.1 95.3 10.8 38.4 1.1 37 37 A T S < S- 0 0 100 -3,-0.9 -2,-0.1 -2,-0.2 -4,-0.0 0.183 87.1-141.4 -35.6-123.2 12.8 36.2 2.2 38 38 A M + 0 0 76 -2,-0.2 2,-0.1 -4,-0.0 -3,-0.1 -0.405 49.9 144.9-112.5 71.4 10.8 33.5 1.7 39 39 A A - 0 0 56 -5,-0.2 -5,-2.9 -6,-0.0 2,-0.3 -0.500 29.0-164.7 -72.5 147.3 11.9 31.9 5.0 40 40 A A E -D 33 0A 54 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.985 13.9-176.8-135.0 146.0 9.2 29.9 6.8 41 41 A E E -D 32 0A 104 -9,-2.2 -9,-2.6 -2,-0.3 2,-0.5 -0.944 25.1-124.9-132.3 160.5 8.7 28.4 10.3 42 42 A Y E -D 31 0A 67 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.940 18.8-160.4-106.8 124.2 5.9 26.3 11.8 43 43 A V E -D 30 0A 27 -13,-3.2 -13,-2.3 -2,-0.5 2,-0.2 -0.926 18.5-133.1-106.9 113.0 4.2 27.7 14.9 44 44 A D E -D 29 0A 113 -2,-0.6 -15,-0.3 -15,-0.2 3,-0.2 -0.440 19.1-172.5 -68.1 135.1 2.4 25.0 16.9 45 45 A N >> + 0 0 1 -17,-2.6 4,-1.3 -2,-0.2 3,-0.6 0.043 45.2 122.5-116.7 24.0 -1.1 25.8 18.0 46 46 A G H 3> + 0 0 22 1,-0.2 4,-0.9 -18,-0.2 -1,-0.1 0.833 69.0 60.6 -55.7 -36.7 -1.8 22.8 20.2 47 47 A A H >4 S+ 0 0 63 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.879 101.6 51.3 -59.5 -45.9 -2.5 24.9 23.3 48 48 A S H X4 S+ 0 0 0 -3,-0.6 3,-1.3 1,-0.2 -1,-0.2 0.872 103.1 60.0 -60.3 -40.0 -5.4 26.7 21.7 49 49 A Q H 3< S+ 0 0 87 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.741 98.2 58.2 -61.4 -27.1 -7.0 23.3 20.7 50 50 A T T << S+ 0 0 111 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.608 86.8 102.3 -78.6 -11.0 -7.3 22.1 24.4 51 51 A L < - 0 0 62 -3,-1.3 4,-0.1 -4,-0.4 3,-0.1 -0.433 65.6-146.1 -82.0 145.6 -9.4 25.2 25.4 52 52 A S S S- 0 0 118 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.770 84.6 -8.4 -78.8 -26.4 -13.2 25.0 26.0 53 53 A H S S+ 0 0 153 1,-0.0 -1,-0.2 -5,-0.0 -3,-0.0 -0.952 114.1 52.5-156.3 170.6 -13.6 28.5 24.7 54 54 A G > + 0 0 32 -2,-0.3 4,-2.2 -3,-0.1 5,-0.1 0.743 58.8 138.4 68.6 22.9 -11.4 31.5 23.7 55 55 A A H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.898 72.7 49.3 -63.9 -38.1 -9.3 29.4 21.3 56 56 A G H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.836 109.3 51.7 -75.2 -32.7 -9.3 32.3 18.7 57 57 A I H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.930 112.7 46.1 -61.8 -45.5 -8.3 34.8 21.3 58 58 A N H X S+ 0 0 45 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.891 112.5 49.8 -64.1 -40.2 -5.4 32.5 22.3 59 59 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 107.6 53.8 -65.8 -40.7 -4.4 31.9 18.7 60 60 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.884 109.3 49.5 -59.5 -40.5 -4.5 35.7 18.0 61 61 A Q H X S+ 0 0 98 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.875 107.4 53.6 -67.1 -38.8 -2.1 36.1 20.9 62 62 A V H X S+ 0 0 31 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.940 112.3 45.9 -57.6 -47.5 0.2 33.4 19.6 63 63 A L H X>S+ 0 0 0 -4,-2.4 5,-1.7 2,-0.2 4,-0.5 0.849 108.1 54.2 -63.9 -39.0 0.3 35.3 16.2 64 64 A A H ><5S+ 0 0 49 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.921 107.6 53.4 -63.4 -39.4 0.9 38.7 17.8 65 65 A K H 3<5S+ 0 0 173 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.779 106.0 51.5 -63.2 -31.1 3.9 37.1 19.6 66 66 A S H 3<5S- 0 0 19 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.543 113.0-120.7 -82.1 -5.3 5.3 35.9 16.3 67 67 A G T <<5 + 0 0 5 -3,-1.1 -64,-2.7 -4,-0.5 -61,-0.2 0.715 50.6 168.5 73.2 23.0 5.1 39.4 14.8 68 68 A A E < -a 3 0A 0 -5,-1.7 -1,-0.2 -66,-0.2 -61,-0.2 -0.368 22.4-174.4 -67.8 142.6 2.7 38.3 12.0 69 69 A G E + 0 0 1 -63,-2.8 21,-2.9 -66,-0.7 2,-0.4 0.585 69.8 38.7-111.6 -14.2 1.0 41.1 10.0 70 70 A V E -ae 7 90A 0 -64,-1.4 -62,-3.1 19,-0.3 2,-0.4 -0.987 62.7-161.4-134.8 140.6 -1.3 39.1 7.8 71 71 A L E -ae 8 91A 0 19,-3.1 21,-2.8 -2,-0.4 2,-0.5 -0.993 4.7-164.4-124.7 125.9 -3.3 35.9 8.5 72 72 A L E +ae 9 92A 0 -64,-3.0 -62,-2.3 -2,-0.4 2,-0.2 -0.930 31.4 127.0-109.7 130.8 -4.5 33.7 5.7 73 73 A T - 0 0 0 19,-1.8 22,-2.2 -2,-0.5 23,-0.1 -0.824 58.4-107.3-158.8-174.3 -7.3 31.2 6.6 74 74 A G S S+ 0 0 0 -53,-0.6 20,-2.2 1,-0.4 2,-0.3 0.828 90.3 4.1 -92.2 -74.2 -10.7 29.7 5.9 75 75 A Y - 0 0 92 -53,-2.9 -51,-0.4 18,-0.2 -1,-0.4 -0.903 55.5-179.4-122.7 144.3 -13.1 30.8 8.6 76 76 A V - 0 0 2 -2,-0.3 43,-1.4 -53,-0.1 44,-0.8 -0.989 19.3-137.9-143.9 132.6 -12.8 33.1 11.6 77 77 A G > - 0 0 11 -2,-0.3 4,-2.5 41,-0.2 5,-0.2 -0.179 34.4 -90.4 -84.7 177.9 -15.5 34.0 14.2 78 78 A P H > S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.870 120.2 42.7 -62.2 -46.1 -16.3 37.4 15.8 79 79 A K H > S+ 0 0 152 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.900 115.8 49.3 -72.3 -38.5 -14.1 37.5 18.8 80 80 A A H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 110.7 51.2 -62.2 -45.5 -11.1 36.0 17.0 81 81 A F H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.901 110.4 48.3 -58.2 -44.7 -11.6 38.6 14.2 82 82 A Q H X S+ 0 0 130 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.901 110.6 51.4 -62.1 -43.0 -11.7 41.5 16.8 83 83 A A H X S+ 0 0 21 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.889 110.4 49.1 -61.4 -42.4 -8.5 40.1 18.5 84 84 A L H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 4,-0.4 0.906 112.4 46.9 -62.4 -45.6 -6.7 40.0 15.1 85 85 A Q H ><5S+ 0 0 119 -4,-2.3 3,-1.9 3,-0.2 -2,-0.2 0.949 110.4 54.0 -58.6 -49.3 -7.7 43.6 14.2 86 86 A A H 3<5S+ 0 0 85 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.892 108.0 50.0 -52.1 -43.4 -6.6 44.6 17.8 87 87 A A T 3<5S- 0 0 35 -4,-2.1 -1,-0.3 -5,-0.1 -85,-0.2 0.559 119.6-112.2 -74.0 -4.1 -3.2 43.0 17.1 88 88 A G T < 5 + 0 0 25 -3,-1.9 2,-0.5 -4,-0.4 -3,-0.2 0.726 67.0 147.9 79.8 22.5 -2.9 44.9 13.8 89 89 A I < - 0 0 7 -5,-3.0 2,-0.3 -6,-0.1 -19,-0.3 -0.794 42.5-138.5 -98.5 126.8 -3.2 41.7 11.6 90 90 A K E -e 70 0A 101 -21,-2.9 -19,-3.1 -2,-0.5 2,-0.4 -0.656 21.7-142.2 -80.1 139.7 -4.9 41.8 8.2 91 91 A V E -e 71 0A 4 24,-0.4 24,-3.4 -2,-0.3 2,-0.4 -0.896 16.1-168.9-115.4 129.1 -7.1 38.8 7.5 92 92 A G E -eF 72 114A 0 -21,-2.8 -19,-1.8 -2,-0.4 2,-0.2 -0.954 20.4-168.2-109.4 133.8 -7.6 36.9 4.2 93 93 A Q + 0 0 25 20,-0.6 -19,-0.2 -2,-0.4 -18,-0.2 -0.641 52.5 40.8-116.3 171.8 -10.5 34.5 4.3 94 94 A D + 0 0 98 -20,-2.2 -20,-0.3 -2,-0.2 -1,-0.2 0.756 66.0 132.8 67.3 31.3 -12.0 31.6 2.1 95 95 A L > + 0 0 2 -22,-2.2 3,-1.4 -3,-0.2 -75,-0.3 0.287 25.4 129.0 -98.5 10.0 -8.6 30.1 1.3 96 96 A E T 3 + 0 0 67 1,-0.2 3,-0.1 -23,-0.1 -75,-0.1 -0.337 63.6 39.8 -64.9 143.4 -9.5 26.4 2.1 97 97 A G T 3 S+ 0 0 62 -77,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.222 96.7 101.7 100.0 -12.7 -8.6 24.0 -0.6 98 98 A L S < S- 0 0 25 -3,-1.4 -78,-2.8 -78,-0.1 -1,-0.4 -0.689 74.6-117.5 -96.5 151.6 -5.3 25.7 -1.4 99 99 A T B > -G 19 0B 23 -80,-0.3 4,-2.3 -2,-0.3 -80,-0.3 -0.441 33.1-107.7 -75.1 163.4 -1.8 24.7 -0.3 100 100 A V H > S+ 0 0 1 -82,-2.5 4,-2.1 -85,-0.2 5,-0.2 0.947 121.9 50.9 -59.5 -45.4 0.0 27.0 2.0 101 101 A R H > S+ 0 0 105 -85,-2.8 4,-2.4 -83,-0.2 -1,-0.2 0.897 110.9 48.6 -58.5 -43.1 2.4 28.0 -0.8 102 102 A Q H > S+ 0 0 97 -86,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.845 109.1 52.2 -67.8 -36.7 -0.6 28.7 -3.1 103 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.905 111.0 46.5 -66.8 -41.1 -2.4 30.9 -0.6 104 104 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.951 113.7 50.2 -65.5 -45.7 0.7 33.0 0.0 105 105 A Q H X S+ 0 0 100 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.902 111.5 46.9 -57.9 -46.6 1.2 33.3 -3.8 106 106 A R H <>S+ 0 0 96 -4,-2.6 5,-2.5 2,-0.2 6,-0.4 0.882 113.1 50.6 -62.2 -40.8 -2.5 34.3 -4.4 107 107 A F H ><5S+ 0 0 33 -4,-2.4 3,-1.7 4,-0.2 5,-0.4 0.953 111.9 46.1 -58.9 -52.9 -2.2 36.8 -1.6 108 108 A L H 3<5S+ 0 0 75 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.805 107.4 58.8 -59.3 -32.4 1.0 38.3 -3.0 109 109 A D T 3<5S- 0 0 98 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.361 119.1-110.4 -78.7 3.3 -0.5 38.4 -6.5 110 110 A G T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.633 85.9 120.1 77.7 16.7 -3.4 40.7 -5.2 111 111 A Q < + 0 0 118 -5,-2.5 -4,-0.2 -6,-0.2 -5,-0.1 0.323 53.7 80.0 -96.7 4.4 -6.0 38.0 -5.5 112 112 A V S S- 0 0 12 -5,-0.4 -1,-0.1 -6,-0.4 -2,-0.1 -0.895 70.2-148.1-119.4 102.4 -7.0 37.9 -1.8 113 113 A P - 0 0 108 0, 0.0 -20,-0.6 0, 0.0 2,-0.3 -0.385 26.4-114.6 -61.5 135.5 -9.3 40.7 -0.5 114 114 A M B -F 92 0A 74 -22,-0.1 -22,-0.2 1,-0.1 2,-0.1 -0.615 37.9-115.2 -73.9 134.7 -8.7 41.7 3.1 115 115 A A - 0 0 25 -24,-3.4 -24,-0.4 -2,-0.3 -1,-0.1 -0.482 18.9-160.0 -75.2 145.4 -11.7 40.7 5.1 116 116 A A S S- 0 0 99 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.632 73.4 -2.3 -95.9 -20.1 -13.9 43.4 6.8 117 117 A G S S- 0 0 25 -26,-0.1 -1,-0.2 -41,-0.0 -41,-0.1 -0.945 90.6 -63.9-159.1 176.0 -15.5 41.1 9.3 118 118 A P - 0 0 60 0, 0.0 -41,-0.2 0, 0.0 -2,-0.1 -0.282 31.2-153.9 -64.2 154.3 -15.8 37.5 10.5 119 119 A N 0 0 45 -43,-1.4 -42,-0.2 -42,-0.1 -25,-0.0 0.107 360.0 360.0-116.1 21.9 -17.3 35.0 8.1 120 120 A K 0 0 157 -44,-0.8 -45,-0.0 -45,-0.0 0, 0.0 -0.955 360.0 360.0-152.7 360.0 -18.6 32.5 10.7