==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER 21-FEB-97 5PAZ . COMPND 2 MOLECULE: PSEUDOAZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR E.T.ADMAN,C.A.P.LIBEU . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 9.8 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 . 13 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 12.2 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 0 1 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 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 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 E 0 0 174 0, 0.0 29,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.7 -11.5 29.1 -20.9 2 2 A N E -a 30 0A 83 27,-0.2 2,-0.4 29,-0.0 29,-0.2 -0.881 360.0-162.2-113.9 142.4 -8.2 29.5 -19.0 3 3 A I E -a 31 0A 39 27,-1.9 29,-2.6 -2,-0.3 2,-0.4 -0.999 12.4-144.4-129.7 127.6 -7.7 31.6 -15.9 4 4 A E E -a 32 0A 105 -2,-0.4 2,-0.4 27,-0.2 29,-0.2 -0.771 16.2-175.5 -97.6 135.0 -4.2 32.5 -14.8 5 5 A V E -a 33 0A 0 27,-2.7 29,-3.0 -2,-0.4 2,-0.4 -0.982 11.8-148.2-127.4 134.1 -3.2 32.7 -11.1 6 6 A H E -aB 34 19A 63 13,-3.1 13,-2.7 -2,-0.4 2,-0.5 -0.891 4.7-145.6-106.4 146.5 0.1 33.9 -9.7 7 7 A M E +aB 35 18A 0 27,-1.9 30,-1.4 -2,-0.4 29,-1.1 -0.933 31.5 173.6-106.2 119.5 1.8 32.6 -6.5 8 8 A L E - B 0 17A 30 9,-2.4 9,-2.4 -2,-0.5 3,-0.2 -0.955 44.6-133.0-132.0 154.9 3.8 35.4 -4.8 9 9 A N E S+ 0 0 63 -2,-0.3 7,-2.6 1,-0.2 2,-0.3 0.781 100.6 14.7 -70.7 -30.7 5.8 36.2 -1.6 10 10 A K E S+ B 0 15A 138 5,-0.3 5,-0.3 6,-0.1 -1,-0.2 -0.965 74.3 148.2-149.0 130.5 3.9 39.5 -1.2 11 11 A G E > - B 0 14A 12 3,-3.0 3,-1.2 -2,-0.3 8,-0.0 -0.605 63.2 -57.5-140.7-158.7 0.7 40.8 -2.8 12 12 A A T 3 S+ 0 0 86 1,-0.3 3,-0.1 -2,-0.2 7,-0.0 0.830 131.3 44.7 -59.8 -39.3 -2.3 43.1 -2.2 13 13 A E T 3 S- 0 0 133 1,-0.2 2,-0.3 101,-0.0 -1,-0.3 0.506 120.7 -94.2 -90.1 1.0 -3.4 41.1 0.9 14 14 A G E < S-B 11 0A 20 -3,-1.2 -3,-3.0 3,-0.0 -1,-0.2 -0.924 72.7 -5.1 129.5-155.7 0.0 40.6 2.5 15 15 A A E S+B 10 0A 45 -2,-0.3 -5,-0.3 -5,-0.3 -6,-0.1 -0.567 114.8 13.5 -78.1 147.2 2.7 37.9 2.5 16 16 A M E S+ 0 0 31 -7,-2.6 2,-0.3 -2,-0.2 -7,-0.2 0.992 84.1 159.7 57.5 80.0 2.3 34.6 0.7 17 17 A V E -B 8 0A 7 -9,-2.4 -9,-2.4 69,-0.1 2,-0.4 -0.926 43.2-135.5-132.6 161.0 -0.7 34.9 -1.6 18 18 A F E -B 7 0A 4 69,-0.5 -11,-0.2 -2,-0.3 69,-0.1 -0.917 37.4-125.1-102.3 139.2 -2.4 33.5 -4.6 19 19 A E E S+B 6 0A 73 -13,-2.7 -13,-3.1 -2,-0.4 2,-0.2 -0.975 99.0 24.4-132.3 117.3 -3.6 36.3 -7.0 20 20 A P S S- 0 0 56 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.647 76.5-174.7 -75.1 165.9 -6.5 36.1 -7.6 21 21 A A S S+ 0 0 26 -2,-0.2 68,-3.4 1,-0.2 2,-0.5 0.455 74.5 59.9-102.1 -6.2 -7.5 34.2 -4.5 22 22 A Y E -d 89 0B 57 66,-0.2 2,-0.5 96,-0.1 68,-0.2 -0.989 68.8-176.3-124.9 118.0 -11.1 33.9 -5.8 23 23 A I E -d 90 0B 3 66,-2.7 68,-2.9 -2,-0.5 2,-0.5 -0.975 11.1-160.7-123.9 119.2 -11.6 32.0 -9.1 24 24 A K E +d 91 0B 78 -2,-0.5 2,-0.3 66,-0.2 68,-0.2 -0.810 29.1 153.9 -97.3 127.1 -14.9 31.6 -10.8 25 25 A A E -d 92 0B 2 66,-2.9 68,-2.3 -2,-0.5 -23,-0.0 -0.953 35.1-132.6-144.8 175.2 -15.0 28.8 -13.3 26 26 A N > - 0 0 87 -2,-0.3 3,-2.3 66,-0.2 42,-0.2 -0.854 47.4 -78.2-127.2 160.4 -17.1 26.3 -15.2 27 27 A P T 3 S+ 0 0 69 0, 0.0 42,-0.3 0, 0.0 3,-0.1 -0.319 120.5 29.8 -57.0 136.0 -16.5 22.5 -15.7 28 28 A G T 3 S+ 0 0 56 40,-3.3 41,-0.1 1,-0.4 2,-0.1 0.174 93.4 121.1 96.4 -16.2 -14.0 22.0 -18.5 29 29 A D < - 0 0 17 -3,-2.3 39,-2.2 39,-0.3 2,-0.4 -0.381 55.8-133.6 -74.6 162.1 -12.2 25.3 -17.7 30 30 A T E -aC 2 67A 38 -29,-2.4 -27,-1.9 37,-0.2 2,-0.5 -0.870 8.0-155.2-115.9 149.2 -8.5 25.3 -16.8 31 31 A V E -aC 3 66A 0 35,-2.9 35,-3.4 -2,-0.4 2,-0.6 -0.989 11.5-157.7-120.2 120.5 -6.7 27.1 -14.0 32 32 A T E -aC 4 65A 21 -29,-2.6 -27,-2.7 -2,-0.5 2,-0.5 -0.931 3.5-157.9-104.5 115.7 -3.0 27.8 -14.7 33 33 A F E -aC 5 64A 0 31,-3.0 31,-2.3 -2,-0.6 -27,-0.2 -0.817 9.5-171.5 -95.4 120.6 -0.9 28.4 -11.5 34 34 A I E -a 6 0A 36 -29,-3.0 -27,-1.9 -2,-0.5 2,-1.2 -0.940 17.2-145.0-119.3 114.0 2.3 30.2 -12.1 35 35 A P E +a 7 0A 20 0, 0.0 -27,-0.1 0, 0.0 -29,-0.1 -0.617 21.4 174.5 -80.9 101.4 4.9 30.6 -9.4 36 36 A V S S+ 0 0 60 -2,-1.2 2,-0.3 -29,-1.1 -28,-0.2 0.803 74.0 41.1 -75.2 -27.5 6.3 34.1 -10.0 37 37 A D S S- 0 0 44 -30,-1.4 3,-0.5 -3,-0.1 24,-0.1 -0.868 99.5-105.9-112.2 152.5 8.4 33.8 -6.8 38 38 A K S S+ 0 0 138 -2,-0.3 -2,-0.1 1,-0.2 22,-0.0 -0.403 91.6 49.2 -76.6 154.4 10.2 30.5 -5.8 39 39 A G S S+ 0 0 27 1,-0.3 2,-0.3 -2,-0.1 41,-0.2 0.488 82.1 110.5 105.5 -0.3 9.0 28.2 -3.0 40 40 A H + 0 0 0 -3,-0.5 21,-2.3 -33,-0.1 -1,-0.3 -0.790 29.2 158.1-114.9 156.4 5.3 27.8 -3.9 41 41 A N - 0 0 4 -2,-0.3 2,-0.4 19,-0.2 19,-0.1 -0.781 33.4-113.3-151.7-171.4 3.0 25.0 -5.1 42 42 A V + 0 0 0 -2,-0.2 16,-2.6 36,-0.2 2,-0.3 -1.000 29.9 171.1-140.3 138.0 -0.7 24.2 -5.1 43 43 A E E -EF 57 77B 29 34,-2.3 34,-2.4 -2,-0.4 14,-0.2 -0.989 33.4-116.2-147.3 135.9 -2.4 21.3 -3.3 44 44 A S E - F 0 76B 3 12,-2.5 2,-0.4 -2,-0.3 32,-0.2 -0.486 34.5-121.2 -72.6 143.7 -6.1 20.5 -2.7 45 45 A I > - 0 0 14 30,-1.8 3,-2.2 3,-0.2 30,-0.2 -0.753 29.7-104.1 -91.5 134.0 -7.2 20.5 1.0 46 46 A K T 3 S+ 0 0 88 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.287 103.7 6.5 -56.5 130.2 -8.6 17.3 2.4 47 47 A D T 3 S+ 0 0 123 3,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.495 112.0 91.2 72.8 10.1 -12.4 17.4 2.9 48 48 A M < + 0 0 9 -3,-2.2 27,-2.5 27,-0.1 -3,-0.2 0.010 68.1 74.5-127.8 35.2 -12.5 20.8 1.1 49 49 A I S S- 0 0 31 25,-0.2 25,-0.2 -5,-0.1 3,-0.1 -0.901 92.5 -82.4-136.9 152.7 -13.0 19.7 -2.6 50 50 A P > - 0 0 12 0, 0.0 3,-2.0 0, 0.0 2,-0.1 -0.151 50.5 -92.5 -60.0 155.6 -16.3 18.5 -4.1 51 51 A E T 3 S+ 0 0 192 1,-0.2 3,-0.1 -4,-0.1 47,-0.0 -0.424 115.4 25.4 -64.6 129.5 -17.4 14.9 -3.8 52 52 A G T 3 S+ 0 0 68 1,-0.4 -1,-0.2 -2,-0.1 2,-0.2 0.378 93.7 119.3 101.0 -10.1 -16.2 13.1 -6.9 53 53 A A < - 0 0 20 -3,-2.0 -1,-0.4 16,-0.1 2,-0.3 -0.572 64.0-117.8 -88.3 150.6 -13.2 15.4 -7.6 54 54 A E - 0 0 177 -2,-0.2 -1,-0.0 -3,-0.1 -10,-0.0 -0.697 24.2-119.9 -93.6 142.4 -9.7 14.1 -7.5 55 55 A K - 0 0 111 -2,-0.3 2,-0.3 -6,-0.1 -1,-0.1 -0.330 35.1-169.0 -71.7 160.2 -7.1 15.4 -5.1 56 56 A F - 0 0 16 2,-0.0 -12,-2.5 10,-0.0 2,-0.3 -0.994 20.4-175.5-152.1 157.1 -4.0 17.0 -6.5 57 57 A K B -E 43 0B 123 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.1 -0.863 16.9-151.3-155.9 116.2 -0.6 18.3 -5.5 58 58 A S - 0 0 7 -16,-2.6 2,-0.2 -2,-0.3 6,-0.1 -0.381 27.1 -98.5 -86.7 165.6 1.8 20.1 -7.9 59 59 A K > - 0 0 157 4,-0.1 3,-1.8 -2,-0.1 -1,-0.1 -0.600 48.9 -92.9 -83.9 144.7 5.6 20.2 -7.7 60 60 A I T 3 S+ 0 0 109 1,-0.3 -19,-0.2 -2,-0.2 -1,-0.1 -0.257 108.2 7.2 -58.4 138.7 7.3 23.2 -6.1 61 61 A N T 3 S+ 0 0 84 -21,-2.3 2,-0.3 1,-0.2 -1,-0.3 0.368 101.1 126.9 69.4 2.4 8.2 26.0 -8.6 62 62 A E < - 0 0 68 -3,-1.8 2,-0.3 -22,-0.2 -1,-0.2 -0.639 66.6-119.3 -89.1 141.7 6.4 24.2 -11.4 63 63 A N - 0 0 99 -2,-0.3 2,-0.4 -29,-0.1 -29,-0.2 -0.614 39.4-161.1 -70.9 135.4 3.7 25.8 -13.6 64 64 A Y E -C 33 0A 49 -31,-2.3 -31,-3.0 -2,-0.3 2,-0.6 -0.974 15.8-157.3-130.2 133.5 0.6 23.7 -13.0 65 65 A V E -C 32 0A 82 -2,-0.4 2,-0.5 -33,-0.2 -33,-0.2 -0.907 10.6-165.9-110.5 115.2 -2.5 23.4 -15.1 66 66 A L E -C 31 0A 11 -35,-3.4 -35,-2.9 -2,-0.6 2,-0.5 -0.880 7.0-155.2 -99.2 127.8 -5.6 22.2 -13.2 67 67 A T E -C 30 0A 89 -2,-0.5 2,-0.5 -37,-0.2 -37,-0.2 -0.906 14.5-149.1 -97.5 123.8 -8.6 21.1 -15.3 68 68 A V + 0 0 2 -39,-2.2 -40,-3.3 -2,-0.5 -39,-0.3 -0.820 30.7 155.8 -98.7 130.6 -11.8 21.5 -13.2 69 69 A T + 0 0 84 -2,-0.5 -1,-0.2 -42,-0.3 -16,-0.1 0.695 50.3 69.0-118.0 -50.5 -14.6 19.0 -13.8 70 70 A Q S S- 0 0 64 -20,-0.1 -1,-0.1 -43,-0.1 22,-0.1 -0.415 78.5-123.9 -77.0 135.7 -16.9 18.7 -10.8 71 71 A P + 0 0 81 0, 0.0 2,-0.2 0, 0.0 22,-0.2 -0.340 67.6 71.7 -67.6 159.5 -19.1 21.6 -9.8 72 72 A G E S- G 0 92B 5 20,-2.5 20,-3.1 -22,-0.1 2,-0.3 -0.729 85.0 -53.8 124.6-177.1 -18.7 22.9 -6.3 73 73 A A E - G 0 91B 0 -2,-0.2 2,-0.4 18,-0.2 18,-0.2 -0.748 41.4-165.3-101.5 146.0 -16.1 24.8 -4.3 74 74 A Y E - G 0 90B 8 16,-2.8 16,-3.0 -2,-0.3 2,-0.5 -0.991 6.0-159.2-130.5 127.7 -12.5 23.9 -3.9 75 75 A L E - G 0 89B 0 -27,-2.5 -30,-1.8 -2,-0.4 2,-0.3 -0.931 19.0-177.4-107.9 125.0 -10.1 25.3 -1.3 76 76 A V E -FG 44 88B 0 12,-2.6 12,-1.9 -2,-0.5 2,-0.3 -0.829 4.2-168.3-117.0 159.9 -6.5 25.0 -2.3 77 77 A K E -FG 43 87B 41 -34,-2.4 -34,-2.3 -2,-0.3 2,-0.5 -0.902 31.9-107.5-136.5 169.1 -3.3 25.9 -0.5 78 78 A C > - 0 0 0 8,-1.6 4,-1.1 -2,-0.3 -36,-0.2 -0.849 34.1-137.0 -89.7 127.4 0.5 26.2 -1.0 79 79 A T T 4 S+ 0 0 53 -2,-0.5 4,-0.2 1,-0.2 3,-0.1 0.844 100.8 42.1 -58.4 -37.3 1.9 23.2 0.9 80 80 A A T 4 S+ 0 0 66 -41,-0.2 3,-0.2 1,-0.2 -1,-0.2 0.877 122.7 33.3 -76.6 -44.6 4.6 25.4 2.4 81 81 A H T >4>S+ 0 0 33 1,-0.2 5,-1.8 5,-0.1 3,-1.1 0.227 78.2 112.9-106.4 19.1 2.7 28.5 3.3 82 82 A Y G ><5S+ 0 0 38 -4,-1.1 3,-2.4 1,-0.3 -1,-0.2 0.925 79.9 51.1 -52.4 -50.7 -0.7 27.2 4.3 83 83 A A G 3 5S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.2 27,-0.2 0.690 105.6 57.4 -65.9 -16.5 -0.3 28.2 7.9 84 84 A M G < 5S- 0 0 92 -3,-1.1 -1,-0.3 26,-0.1 -2,-0.2 0.401 128.3 -96.6 -91.1 4.4 0.7 31.7 6.8 85 85 A G T < 5 + 0 0 1 -3,-2.4 2,-1.4 -4,-0.2 -3,-0.2 0.551 69.3 152.3 101.4 6.7 -2.6 32.1 4.9 86 86 A M < + 0 0 0 -5,-1.8 -8,-1.6 -8,-0.1 2,-0.3 -0.584 28.0 125.6 -79.1 92.7 -1.7 31.1 1.3 87 87 A I E - G 0 77B 7 -2,-1.4 -69,-0.5 -10,-0.2 2,-0.3 -0.912 39.6-159.2-139.4 165.5 -5.0 29.8 -0.1 88 88 A A E - G 0 76B 0 -12,-1.9 -12,-2.6 -2,-0.3 2,-0.5 -0.983 14.3-139.1-143.4 152.5 -7.3 30.3 -3.0 89 89 A L E -dG 22 75B 2 -68,-3.4 -66,-2.7 -2,-0.3 2,-0.5 -0.965 11.5-160.4-115.7 125.7 -11.0 29.4 -3.4 90 90 A I E -dG 23 74B 0 -16,-3.0 -16,-2.8 -2,-0.5 2,-0.6 -0.944 3.7-163.3-107.4 124.6 -12.2 28.0 -6.8 91 91 A A E -dG 24 73B 5 -68,-2.9 -66,-2.9 -2,-0.5 2,-0.6 -0.963 5.2-167.3-109.6 107.6 -15.9 28.2 -7.4 92 92 A V E -dG 25 72B 1 -20,-3.1 -20,-2.5 -2,-0.6 -66,-0.2 -0.885 56.8 -18.5-101.6 117.6 -17.2 25.9 -10.2 93 93 A G S S- 0 0 10 -68,-2.3 2,-0.2 -2,-0.6 -68,-0.2 -0.224 101.0 -46.2 83.5-177.8 -20.7 26.5 -11.4 94 94 A D S S+ 0 0 151 1,-0.2 3,-0.2 -2,-0.0 -2,-0.1 -0.622 113.0 4.8 -98.1 156.7 -23.3 28.4 -9.5 95 95 A S S S- 0 0 105 -2,-0.2 -1,-0.2 1,-0.2 -22,-0.1 0.892 81.7-139.0 43.2 63.8 -24.3 28.1 -5.8 96 96 A P > - 0 0 28 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.338 4.4-141.9 -55.8 123.2 -21.5 25.6 -4.9 97 97 A A T 3 S+ 0 0 104 1,-0.2 4,-0.2 -3,-0.2 3,-0.2 0.714 94.4 46.4 -61.8 -28.8 -23.2 23.1 -2.6 98 98 A N T 3> S+ 0 0 25 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.268 80.7 99.5-100.4 9.6 -20.2 22.7 -0.3 99 99 A L H <> S+ 0 0 44 -3,-1.1 4,-2.5 2,-0.2 5,-0.2 0.953 82.6 48.2 -64.8 -48.1 -19.2 26.3 0.2 100 100 A D H > S+ 0 0 130 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.903 112.0 52.4 -61.5 -33.9 -20.9 26.8 3.7 101 101 A Q H > S+ 0 0 73 -4,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.927 108.8 49.1 -63.6 -46.5 -19.2 23.5 4.8 102 102 A I H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.939 109.1 52.5 -63.3 -39.9 -15.8 24.8 3.7 103 103 A V H 3< S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.890 113.5 44.2 -62.9 -34.5 -16.3 28.1 5.5 104 104 A S H 3< S+ 0 0 104 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.624 90.5 110.8 -82.6 -18.7 -17.2 26.3 8.7 105 105 A A S << S- 0 0 17 -4,-1.3 2,-0.2 -3,-0.7 -3,-0.0 -0.138 80.2 -94.3 -62.0 154.3 -14.4 23.7 8.5 106 106 A K + 0 0 179 6,-0.0 -1,-0.1 3,-0.0 -2,-0.1 -0.563 63.1 140.4 -68.8 135.4 -11.5 23.7 10.9 107 107 A K - 0 0 20 -2,-0.2 5,-0.1 -3,-0.1 -24,-0.0 -0.942 56.3 -63.7-166.7 162.6 -8.4 25.7 9.6 108 108 A P > - 0 0 37 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.058 47.1-119.3 -56.1 149.9 -5.8 28.1 10.9 109 109 A K H > S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.897 113.6 52.7 -60.2 -40.3 -7.0 31.4 12.1 110 110 A I H > S+ 0 0 60 -27,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 108.9 50.4 -65.0 -37.0 -5.1 33.3 9.5 111 111 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.948 108.2 52.6 -64.4 -47.2 -6.5 31.1 6.7 112 112 A Q H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.906 107.3 52.5 -57.1 -39.9 -10.1 31.7 8.0 113 113 A E H X S+ 0 0 87 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.939 112.3 44.0 -66.0 -42.4 -9.6 35.5 8.0 114 114 A R H X S+ 0 0 38 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.920 112.0 52.3 -67.7 -40.2 -8.4 35.6 4.4 115 115 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.928 108.8 51.1 -58.5 -43.8 -11.1 33.1 3.2 116 116 A E H X S+ 0 0 87 -4,-2.4 4,-1.5 -5,-0.2 5,-0.3 0.925 112.4 46.6 -64.4 -36.0 -13.8 35.3 4.8 117 117 A K H X S+ 0 0 76 -4,-2.0 4,-1.2 -5,-0.2 3,-0.3 0.957 111.4 50.4 -69.7 -45.6 -12.4 38.4 3.0 118 118 A V H < S+ 0 0 16 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 111.9 48.1 -59.0 -40.5 -12.1 36.6 -0.3 119 119 A I H < S+ 0 0 48 -4,-2.8 -1,-0.2 -5,-0.2 3,-0.2 0.766 127.5 25.5 -69.4 -31.3 -15.7 35.4 -0.1 120 120 A A H >< S+ 0 0 64 -4,-1.5 2,-1.9 -3,-0.3 3,-1.3 0.837 130.0 35.0 -93.9 -73.5 -17.0 38.8 0.8 121 121 A S T 3< S+ 0 0 96 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.410 130.3 32.1 -84.5 64.5 -14.6 41.4 -0.5 122 122 A A T 3 0 0 53 -2,-1.9 -1,-0.2 -3,-0.2 -2,-0.1 0.295 360.0 360.0 164.0 15.3 -13.7 39.5 -3.7 123 123 A K < 0 0 168 -3,-1.3 -2,-0.1 -6,-0.2 -3,-0.1 0.937 360.0 360.0 -83.3 360.0 -16.9 37.5 -4.7