==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER(CUPROPROTEIN) 28-JAN-94 1PMY . COMPND 2 MOLECULE: PSEUDOAZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACTERIUM EXTORQUENS; . AUTHOR T.INOUE,Y.KAI,S.HARADA,N.KASAI,Y.OHSHIRO,S.SUZUKI,T.KOHZUMA, . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 59.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 19.5 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 . 1 0.8 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 . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 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 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 PARALLEL BRIDGES PER LADDER . 1 1 0 1 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 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 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 D 0 0 137 0, 0.0 29,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.8 0.7 7.0 2.9 2 2 A E E -a 30 0A 101 27,-0.2 2,-0.4 65,-0.0 29,-0.2 -0.959 360.0-164.7-122.1 126.2 2.5 7.3 6.2 3 3 A V E -a 31 0A 43 27,-2.5 29,-3.1 -2,-0.5 2,-0.5 -0.847 16.3-135.1-107.8 140.1 6.3 7.6 6.7 4 4 A A E -a 32 0A 42 -2,-0.4 2,-0.4 27,-0.2 29,-0.2 -0.896 17.3-173.1-104.6 139.5 8.0 7.1 10.1 5 5 A V E -a 33 0A 1 27,-2.3 29,-3.2 -2,-0.5 2,-0.3 -0.975 16.8-139.5-130.0 126.3 10.6 9.4 11.5 6 6 A K E -aB 34 19A 56 13,-2.2 13,-2.0 -2,-0.4 2,-0.7 -0.746 4.9-140.3 -90.1 139.7 12.4 8.5 14.7 7 7 A M E - B 0 18A 0 27,-2.7 30,-2.1 -2,-0.3 2,-0.4 -0.908 36.4-176.4-101.0 108.9 13.3 11.0 17.5 8 8 A L E - B 0 17A 21 9,-2.9 9,-1.8 -2,-0.7 3,-0.2 -0.890 43.7-154.6-121.8 143.6 16.8 10.1 18.6 9 9 A N E S+ 0 0 56 -2,-0.4 7,-2.7 1,-0.3 2,-0.4 0.829 99.4 17.1 -69.1 -40.9 19.4 11.1 21.1 10 10 A S E S+ B 0 15A 75 5,-0.3 -1,-0.3 6,-0.1 5,-0.2 -0.995 86.1 112.5-139.3 126.5 22.1 9.8 18.8 11 11 A G E > - B 0 14A 25 3,-2.2 3,-2.5 -2,-0.4 2,-0.2 -0.872 68.1 -14.7-166.9-163.9 21.8 9.0 15.0 12 12 A P T 3 S+ 0 0 84 0, 0.0 6,-0.1 0, 0.0 9,-0.0 -0.402 130.9 21.9 -58.5 120.1 22.9 10.1 11.5 13 13 A G T 3 S- 0 0 69 -2,-0.2 2,-0.4 4,-0.1 -3,-0.0 0.202 120.2 -91.5 103.3 -9.4 24.5 13.6 12.0 14 14 A G E < S+B 11 0A 29 -3,-2.5 -3,-2.2 3,-0.0 2,-0.2 -0.888 80.9 12.4 115.1-146.4 25.3 13.3 15.7 15 15 A M E S+B 10 0A 99 -2,-0.4 -5,-0.3 -5,-0.2 -6,-0.1 -0.563 115.8 10.8 -77.9 139.4 23.4 14.1 18.9 16 16 A M E S+ 0 0 30 -7,-2.7 2,-0.3 -2,-0.2 -7,-0.2 0.988 86.7 155.8 60.0 76.4 19.7 15.0 19.0 17 17 A V E -B 8 0A 7 -9,-1.8 -9,-2.9 -3,-0.2 2,-0.4 -0.881 45.1-133.8-132.6 156.1 18.5 14.1 15.5 18 18 A F E -B 7 0A 3 69,-0.4 -11,-0.2 -2,-0.3 69,-0.1 -0.890 36.8-124.2 -99.0 142.9 15.4 13.2 13.5 19 19 A D E S+B 6 0A 59 -13,-2.0 -13,-2.2 -2,-0.4 2,-0.2 -0.933 101.4 26.1-138.2 114.4 16.0 10.2 11.2 20 20 A P S S- 0 0 48 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.611 77.6-173.7 -75.4 155.9 15.4 10.9 8.4 21 21 A A S S+ 0 0 31 -2,-0.2 68,-3.3 1,-0.1 2,-0.5 0.537 75.7 52.6 -90.6 -15.2 15.9 14.6 8.7 22 22 A L E -d 89 0B 27 66,-0.2 2,-0.4 -4,-0.1 68,-0.2 -0.991 69.5-176.8-126.2 118.3 14.6 15.2 5.1 23 23 A V E -d 90 0B 8 66,-2.2 68,-2.9 -2,-0.5 2,-0.5 -0.989 13.5-159.1-120.2 127.3 11.2 13.8 4.1 24 24 A R E +d 91 0B 148 -2,-0.4 2,-0.3 66,-0.2 68,-0.2 -0.906 26.5 168.5-103.7 121.2 9.6 14.0 0.6 25 25 A L E -d 92 0B 11 66,-2.9 68,-2.7 -2,-0.5 -23,-0.0 -0.877 31.1-128.3-130.6 166.6 5.8 13.5 0.7 26 26 A K > - 0 0 139 -2,-0.3 3,-2.3 66,-0.2 42,-0.2 -0.722 49.6 -81.5-109.1 155.8 2.7 13.8 -1.5 27 27 A P T 3 S+ 0 0 53 0, 0.0 42,-0.2 0, 0.0 3,-0.1 -0.358 122.4 32.6 -58.7 137.7 -0.3 15.8 -0.4 28 28 A G T 3 S+ 0 0 33 40,-3.3 41,-0.1 1,-0.4 42,-0.0 0.054 92.6 125.1 98.3 -21.2 -2.5 13.6 1.9 29 29 A D < - 0 0 16 -3,-2.3 39,-2.6 39,-0.2 -1,-0.4 -0.241 44.8-156.2 -65.5 158.2 0.7 11.8 3.2 30 30 A S E -aC 2 67A 14 -29,-2.4 -27,-2.5 37,-0.2 2,-0.4 -0.866 7.7-141.7-127.8 159.0 1.3 11.7 7.0 31 31 A I E -aC 3 66A 0 35,-2.3 35,-2.3 -2,-0.3 2,-0.6 -0.994 6.1-154.0-116.3 139.2 4.4 11.3 9.1 32 32 A K E -aC 4 65A 56 -29,-3.1 -27,-2.3 -2,-0.4 2,-0.5 -0.948 13.2-152.5-107.8 119.8 4.4 9.2 12.3 33 33 A F E -aC 5 64A 2 31,-2.8 31,-1.7 -2,-0.6 -27,-0.2 -0.845 13.6-147.9 -93.0 123.3 7.2 10.6 14.6 34 34 A L E -a 6 0A 41 -29,-3.2 -27,-2.7 -2,-0.5 2,-2.3 -0.910 13.8-136.2-103.0 128.6 8.4 7.8 16.9 35 35 A P + 0 0 39 0, 0.0 28,-0.1 0, 0.0 -29,-0.1 -0.339 42.4 156.3 -76.7 62.6 9.6 8.4 20.4 36 36 A T S S+ 0 0 83 -2,-2.3 2,-0.4 1,-0.0 -28,-0.2 0.908 78.6 24.0 -49.4 -52.4 12.6 6.0 19.9 37 37 A D S S- 0 0 53 -30,-2.1 3,-0.4 -3,-0.3 24,-0.1 -0.907 97.9-118.4-113.2 147.6 14.3 7.9 22.7 38 38 A K S S+ 0 0 164 -2,-0.4 3,-0.1 1,-0.2 22,-0.0 -0.419 85.8 52.9 -77.2 167.0 12.2 9.9 25.2 39 39 A G S S+ 0 0 22 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.648 81.1 113.0 84.2 14.7 12.3 13.6 25.7 40 40 A H + 0 0 0 -3,-0.4 21,-2.6 19,-0.1 22,-0.3 -0.857 34.4 170.3-115.3 154.4 11.7 14.7 22.1 41 41 A N - 0 0 5 -2,-0.3 2,-0.4 19,-0.2 40,-0.1 -0.862 27.8-119.7-141.5-171.4 8.8 16.5 20.4 42 42 A V + 0 0 0 -2,-0.3 16,-2.6 36,-0.2 2,-0.4 -0.988 31.2 168.5-136.6 132.1 8.0 18.2 17.1 43 43 A E E -EF 57 77B 27 34,-2.3 34,-2.9 -2,-0.4 14,-0.2 -0.995 38.0-105.4-147.1 141.6 7.0 21.8 16.7 44 44 A T E - F 0 76B 13 12,-2.7 2,-0.7 -2,-0.4 32,-0.2 -0.347 26.8-134.3 -58.2 144.6 6.6 24.1 13.7 45 45 A I > - 0 0 15 30,-2.1 3,-2.4 3,-0.3 30,-0.3 -0.918 33.6-118.1 -98.6 113.1 9.4 26.6 13.3 46 46 A K T 3 S+ 0 0 178 -2,-0.7 30,-0.0 1,-0.3 9,-0.0 -0.303 100.1 29.4 -53.4 136.6 7.5 29.9 12.5 47 47 A G T 3 S+ 0 0 44 2,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.327 102.1 90.0 91.9 -0.1 8.3 31.3 9.1 48 48 A M S < S+ 0 0 1 -3,-2.4 27,-2.6 27,-0.2 -3,-0.3 -0.490 72.5 73.3-123.8 60.5 9.0 27.7 7.8 49 49 A A S S- 0 0 36 25,-0.2 25,-0.2 -2,-0.2 -2,-0.1 -0.932 82.7 -98.6-164.9 146.9 5.5 26.6 6.6 50 50 A P > - 0 0 9 0, 0.0 3,-1.8 0, 0.0 20,-0.1 -0.208 55.1 -93.4 -68.4 152.3 3.1 27.3 3.7 51 51 A D T 3 S+ 0 0 153 1,-0.3 3,-0.1 3,-0.0 47,-0.0 -0.472 113.5 31.9 -67.5 137.5 0.4 29.8 4.5 52 52 A G T 3 S+ 0 0 57 1,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.128 84.9 128.2 100.4 -21.4 -2.7 28.0 5.7 53 53 A A < - 0 0 31 -3,-1.8 -1,-0.4 1,-0.1 2,-0.2 -0.437 63.7-114.3 -69.8 142.0 -0.9 25.1 7.3 54 54 A D - 0 0 139 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.524 31.6-107.1 -74.7 149.0 -1.9 24.4 11.0 55 55 A Y - 0 0 130 -2,-0.2 2,-0.4 -11,-0.0 -1,-0.1 -0.581 34.5-147.4 -79.8 136.0 0.7 25.0 13.7 56 56 A V + 0 0 22 -2,-0.2 -12,-2.7 10,-0.0 2,-0.2 -0.915 28.0 160.8-109.5 134.5 2.1 21.7 15.1 57 57 A K B -E 43 0B 147 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.1 -0.750 19.3-168.0-155.2 102.4 3.2 21.3 18.7 58 58 A T - 0 0 27 -16,-2.6 2,-0.3 -2,-0.2 6,-0.1 -0.400 27.6 -96.4 -92.0 164.4 3.3 17.8 20.0 59 59 A T > - 0 0 85 4,-0.2 3,-1.9 -2,-0.1 -19,-0.1 -0.562 46.6-102.9 -86.9 130.8 3.7 16.4 23.6 60 60 A V T 3 S+ 0 0 70 -2,-0.3 -19,-0.2 1,-0.2 -1,-0.1 -0.376 100.6 10.7 -54.1 133.3 7.1 15.4 24.6 61 61 A G T 3 S+ 0 0 32 -21,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.422 102.0 113.1 77.0 5.2 7.9 11.7 24.6 62 62 A Q S < S- 0 0 113 -3,-1.9 -1,-0.2 -22,-0.3 2,-0.1 -0.803 72.2-112.1-108.2 153.4 4.7 10.7 22.7 63 63 A E - 0 0 108 -2,-0.3 2,-0.4 -29,-0.1 -29,-0.2 -0.475 43.9-172.2 -71.6 153.0 4.3 9.2 19.2 64 64 A A E -C 33 0A 17 -31,-1.7 -31,-2.8 -2,-0.1 2,-0.4 -0.985 18.3-148.3-150.1 147.2 2.5 11.8 17.1 65 65 A V E -C 32 0A 75 -2,-0.4 2,-0.5 -33,-0.2 -33,-0.2 -0.967 8.5-169.7-119.9 136.6 1.0 11.9 13.6 66 66 A V E -C 31 0A 15 -35,-2.3 -35,-2.3 -2,-0.4 2,-0.3 -0.981 9.3-154.9-126.2 120.9 1.0 14.9 11.3 67 67 A K E -C 30 0A 149 -2,-0.5 2,-0.5 -37,-0.2 -37,-0.2 -0.735 11.5-148.9 -93.4 143.7 -1.1 14.8 8.2 68 68 A F + 0 0 3 -39,-2.6 -40,-3.3 -2,-0.3 -39,-0.2 -0.965 32.8 151.0-118.7 121.5 -0.0 17.1 5.4 69 69 A D + 0 0 94 -2,-0.5 2,-0.3 -42,-0.2 -1,-0.1 0.774 55.6 73.6-115.1 -37.0 -2.4 18.7 2.9 70 70 A K S S- 0 0 88 -20,-0.1 2,-0.1 -43,-0.1 -1,-0.1 -0.625 79.7-127.9 -79.3 133.7 -0.9 22.0 1.7 71 71 A E + 0 0 59 -2,-0.3 2,-0.3 20,-0.1 22,-0.2 -0.420 61.0 71.1 -76.4 155.9 2.1 21.6 -0.6 72 72 A G E S- G 0 92B 0 20,-2.4 20,-2.6 -2,-0.1 2,-0.4 -0.892 82.3 -42.0 135.1-170.2 5.4 23.4 0.2 73 73 A V E - G 0 91B 0 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.842 46.0-173.0-104.5 126.6 8.4 23.4 2.5 74 74 A Y E - G 0 90B 14 16,-2.6 16,-2.5 -2,-0.4 2,-0.4 -0.987 8.3-159.7-121.9 138.1 8.0 22.9 6.3 75 75 A G E - G 0 89B 2 -27,-2.6 -30,-2.1 -2,-0.4 2,-0.4 -0.954 13.3-173.2-117.9 137.7 10.7 23.2 9.0 76 76 A F E -FG 44 88B 3 12,-2.6 12,-2.3 -2,-0.4 2,-0.3 -0.962 4.2-164.4-128.4 149.1 10.2 21.5 12.3 77 77 A K E -FG 43 87B 50 -34,-2.9 -34,-2.3 -2,-0.4 2,-0.6 -0.786 28.2-120.9-121.3 163.8 12.2 21.6 15.5 78 78 A C - 0 0 0 8,-2.2 4,-0.2 -2,-0.3 8,-0.2 -0.963 33.8-142.5 -96.1 111.9 12.3 19.5 18.6 79 79 A A S > S+ 0 0 34 -2,-0.6 3,-1.4 1,-0.2 4,-0.3 0.943 94.6 42.2 -47.9 -56.8 11.5 22.2 21.2 80 80 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.786 124.3 39.3 -65.1 -25.1 13.8 21.2 24.1 81 81 A H T 3 >S+ 0 0 32 -3,-0.2 5,-2.4 1,-0.1 -2,-0.2 -0.008 77.1 109.2-113.5 24.9 16.7 20.5 21.6 82 82 A Y T X 5S+ 0 0 50 -3,-1.4 3,-2.5 -4,-0.2 -1,-0.1 0.958 80.9 52.8 -61.8 -42.0 16.4 23.3 19.0 83 83 A M T 3 5S+ 0 0 135 -4,-0.3 -1,-0.2 1,-0.3 27,-0.2 0.744 106.7 56.3 -64.0 -25.3 19.6 25.0 20.3 84 84 A M T 3 5S- 0 0 86 -3,-0.2 -1,-0.3 26,-0.1 -2,-0.2 0.341 123.9-105.6 -88.3 7.9 21.2 21.6 19.8 85 85 A G T < 5 + 0 0 0 -3,-2.5 2,-1.3 1,-0.2 -3,-0.2 0.647 62.3 156.7 78.3 21.3 20.2 21.5 16.1 86 86 A M < + 0 0 0 -5,-2.4 -8,-2.2 -8,-0.2 2,-0.3 -0.661 28.1 132.9 -86.1 96.5 17.3 18.9 16.3 87 87 A V E - G 0 77B 6 -2,-1.3 -69,-0.4 -10,-0.2 2,-0.3 -0.942 35.8-164.1-137.6 157.7 15.4 20.0 13.1 88 88 A A E - G 0 76B 2 -12,-2.3 -12,-2.6 -2,-0.3 2,-0.4 -0.974 12.5-139.5-143.7 158.0 13.8 18.3 10.1 89 89 A L E -dG 22 75B 0 -68,-3.3 -66,-2.2 -2,-0.3 2,-0.5 -0.977 12.8-164.5-126.0 130.2 12.6 19.5 6.7 90 90 A V E -dG 23 74B 2 -16,-2.5 -16,-2.6 -2,-0.4 2,-0.5 -0.979 0.5-165.6-115.9 124.9 9.4 18.3 5.0 91 91 A V E -dG 24 73B 4 -68,-2.9 -66,-2.9 -2,-0.5 2,-0.5 -0.944 7.5-168.2-117.1 124.7 8.7 18.8 1.3 92 92 A V E -dG 25 72B 0 -20,-2.6 -20,-2.4 -2,-0.5 3,-0.3 -0.961 49.7 -37.9-114.0 125.7 5.2 18.2 0.2 93 93 A G S S- 0 0 8 -68,-2.7 -68,-0.1 -2,-0.5 -23,-0.0 -0.319 91.1 -61.2 61.6-157.1 4.2 18.0 -3.5 94 94 A D S S+ 0 0 138 -3,-0.0 -1,-0.2 -23,-0.0 2,-0.1 0.619 91.7 113.9-108.4 -12.9 5.8 20.2 -6.0 95 95 A K + 0 0 90 -3,-0.3 -3,-0.2 1,-0.1 3,-0.1 -0.298 32.2 175.8 -68.1 135.8 4.9 23.8 -4.9 96 96 A R > + 0 0 79 -24,-0.1 3,-1.5 1,-0.1 4,-0.4 0.076 36.1 125.3-130.3 26.9 7.8 25.8 -3.9 97 97 A D T 3 S+ 0 0 134 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.831 81.2 40.9 -51.8 -43.8 6.1 29.2 -3.2 98 98 A N T 3> S+ 0 0 20 1,-0.2 4,-3.0 2,-0.1 -1,-0.3 0.304 85.4 99.8 -92.7 3.7 7.5 29.4 0.4 99 99 A L H <> S+ 0 0 17 -3,-1.5 4,-2.6 2,-0.2 5,-0.3 0.935 84.2 45.1 -55.8 -51.2 11.0 28.1 -0.3 100 100 A E H > S+ 0 0 125 -4,-0.4 4,-1.5 -3,-0.3 -1,-0.2 0.908 117.1 48.1 -63.6 -41.2 12.9 31.5 -0.4 101 101 A A H 4 S+ 0 0 61 -4,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.907 113.9 44.8 -58.5 -48.1 10.9 32.5 2.8 102 102 A A H >< S+ 0 0 1 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.910 112.8 50.5 -68.9 -39.9 11.7 29.2 4.6 103 103 A K H 3< S+ 0 0 85 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.825 104.0 62.2 -68.6 -27.9 15.4 29.2 3.7 104 104 A S T 3< S+ 0 0 63 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.584 74.9 106.3 -74.8 -13.8 15.7 32.9 4.9 105 105 A V < - 0 0 38 -3,-1.1 2,-0.3 -4,-0.4 -58,-0.1 -0.485 68.5-136.1 -68.1 138.2 14.8 32.1 8.5 106 106 A Q + 0 0 174 -2,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.701 26.8 174.0 -99.7 158.1 18.0 32.4 10.6 107 107 A H - 0 0 28 -2,-0.3 -24,-0.0 1,-0.0 0, 0.0 -0.898 40.9 -69.5-147.9 173.0 19.2 30.0 13.3 108 108 A N > - 0 0 39 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.272 57.6 -99.5 -65.4 161.1 22.2 29.4 15.5 109 109 A K H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.832 120.4 50.5 -46.4 -52.2 25.4 28.2 13.7 110 110 A L H > S+ 0 0 89 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.898 113.5 43.5 -60.8 -44.7 24.9 24.5 14.6 111 111 A T H >> S+ 0 0 0 -3,-0.2 4,-1.8 1,-0.2 3,-0.6 0.880 112.3 54.4 -70.4 -41.4 21.3 24.3 13.4 112 112 A Q H 3X S+ 0 0 45 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.890 105.1 53.8 -58.2 -42.3 22.1 26.3 10.2 113 113 A K H 3< S+ 0 0 116 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.720 108.4 49.9 -67.5 -27.8 24.9 23.8 9.4 114 114 A R H S+ 0 0 61 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.837 113.5 54.8 -71.4 -24.1 22.7 20.2 3.1 118 118 A L H < S+ 0 0 23 -4,-0.6 3,-0.5 -3,-0.3 4,-0.2 0.927 109.9 45.6 -73.9 -44.9 19.0 19.5 3.4 119 119 A F H >X S+ 0 0 19 -4,-3.1 3,-1.7 1,-0.3 4,-1.0 0.892 109.6 56.8 -60.5 -42.4 18.1 22.6 1.5 120 120 A A H 3< S+ 0 0 65 -4,-2.0 3,-0.3 -5,-0.3 -1,-0.3 0.827 103.0 54.6 -55.2 -37.2 20.8 21.7 -1.0 121 121 A Q T 3< S+ 0 0 109 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.349 105.8 51.7 -78.1 -0.1 19.1 18.4 -1.6 122 122 A I T <4 0 0 17 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.481 360.0 360.0-110.9 -18.8 15.7 20.1 -2.4 123 123 A Q < 0 0 186 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.1 0.616 360.0 360.0 -96.7 360.0 17.3 22.4 -5.0