==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 09-DEC-99 1DWN . COMPND 2 MOLECULE: PHAGE COAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE PP7; . AUTHOR K.TARS,K.FRIDBORG,M.BUNDULE,L.LILJAS . 381 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 43 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 3 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 5 2 1 5 1 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 3 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 S 0 0 135 0, 0.0 2,-0.5 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0-123.9 64.3 7.5 -120.7 2 2 A K + 0 0 126 15,-0.2 15,-2.7 2,-0.0 2,-0.2 -0.728 360.0 172.8 -84.0 121.2 67.3 8.2 -118.4 3 3 A T E -A 16 0A 82 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.736 31.1-147.2-128.9 173.2 69.4 5.1 -117.7 4 4 A I E -A 15 0A 71 11,-2.2 11,-3.0 -2,-0.2 2,-0.2 -0.950 17.5-153.3-143.9 120.8 72.5 3.5 -116.2 5 5 A V E -A 14 0A 89 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.585 6.3-160.8 -96.1 156.1 74.4 0.5 -117.5 6 6 A L E -A 13 0A 95 7,-1.3 7,-1.3 -2,-0.2 2,-0.5 -0.995 8.4-143.2-140.5 134.9 76.5 -2.0 -115.7 7 7 A S E +A 12 0A 96 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.838 17.9 175.3-103.8 125.9 79.2 -4.5 -116.7 8 8 A V E > S-A 11 0A 98 3,-2.8 2,-1.1 -2,-0.5 3,-0.9 -0.494 76.8 -76.8-116.6 53.8 79.7 -7.9 -115.2 9 9 A G T 3 S- 0 0 64 1,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.777 115.8 -7.9 88.9 -97.4 82.4 -8.8 -117.7 10 10 A E T 3 S+ 0 0 182 -2,-1.1 -1,-0.3 -3,-0.1 0, 0.0 0.805 121.0 87.3 -96.5 -43.3 80.4 -9.6 -120.8 11 11 A A E < -A 8 0A 55 -3,-0.9 -3,-2.8 -4,-0.1 2,-0.4 -0.242 60.0-165.7 -58.9 144.8 76.9 -9.4 -119.1 12 12 A T E -A 7 0A 85 -5,-0.2 2,-0.4 -4,-0.1 -5,-0.2 -0.902 4.7-167.5-141.8 109.5 75.3 -5.9 -119.0 13 13 A R E -A 6 0A 96 -7,-1.3 -7,-1.3 -2,-0.4 2,-0.4 -0.819 15.3-146.5 -98.5 136.0 72.4 -5.2 -116.8 14 14 A T E -A 5 0A 62 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.885 5.7-153.4-113.2 134.9 70.6 -1.9 -117.3 15 15 A L E -A 4 0A 8 -11,-3.0 -11,-2.2 -2,-0.4 2,-0.4 -0.829 7.1-155.2-107.3 140.9 68.8 0.4 -114.9 16 16 A T E -AB 3 28A 17 12,-2.5 12,-1.2 -2,-0.4 2,-0.5 -0.908 22.1-118.9-120.2 137.2 66.0 2.8 -115.6 17 17 A E E + B 0 27A 34 -15,-2.7 10,-0.2 -2,-0.4 -15,-0.2 -0.573 38.7 165.1 -69.1 118.8 64.9 6.0 -113.8 18 18 A I E + 0 0 87 8,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.741 62.0 17.5-104.7 -36.0 61.4 5.3 -112.7 19 19 A Q E - B 0 26A 70 7,-1.4 7,-1.6 2,-0.0 -1,-0.3 -0.935 52.5-171.9-137.1 159.8 60.9 8.1 -110.2 20 20 A S + 0 0 35 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.756 16.2 162.8-155.4 100.0 62.4 11.5 -109.3 21 21 A T - 0 0 42 -2,-0.2 127,-0.2 3,-0.1 128,-0.0 0.160 53.9 -81.6 -91.3-145.3 61.4 13.4 -106.2 22 22 A A S S+ 0 0 24 125,-0.2 127,-0.0 131,-0.0 -1,-0.0 0.924 120.7 6.3 -86.5 -77.8 63.3 16.3 -104.6 23 23 A D S S+ 0 0 51 124,-0.1 21,-0.2 20,-0.1 22,-0.0 0.859 127.9 68.8 -75.6 -36.9 65.9 14.6 -102.4 24 24 A R + 0 0 130 19,-0.2 2,-0.2 17,-0.0 19,-0.1 -0.061 50.7 170.9 -78.1 178.5 65.1 11.1 -103.7 25 25 A Q - 0 0 74 -5,-0.2 17,-2.3 2,-0.0 2,-0.4 -0.604 16.0-155.7 172.5 121.3 65.5 9.4 -107.1 26 26 A I E -BC 19 41A 15 -7,-1.6 -8,-2.5 15,-0.2 -7,-1.4 -0.931 9.3-174.3-124.6 141.9 65.0 5.7 -108.0 27 27 A F E +BC 17 40A 16 13,-2.1 13,-1.6 -2,-0.4 2,-0.3 -0.803 8.4 171.3-121.5 164.0 66.2 3.3 -110.6 28 28 A E E -BC 16 39A 28 -12,-1.2 -12,-2.5 -2,-0.3 2,-1.3 -0.967 42.4-120.2-172.2 150.8 65.4 -0.3 -111.4 29 29 A E - 0 0 31 9,-0.8 9,-0.3 -2,-0.3 -14,-0.1 -0.795 35.0-168.5 -95.8 84.4 65.8 -3.1 -113.9 30 30 A K + 0 0 131 -2,-1.3 -1,-0.2 7,-0.1 -15,-0.1 0.808 53.3 100.4 -39.5 -48.6 62.1 -3.4 -114.6 31 31 A V + 0 0 102 -3,-0.1 -2,-0.1 6,-0.0 0, 0.0 0.086 69.1 29.0 -43.3 146.5 62.6 -6.7 -116.4 32 32 A G S S- 0 0 36 5,-0.1 5,-0.1 3,-0.0 0, 0.0 -0.476 110.3 -13.1 92.5-168.0 61.8 -10.0 -114.7 33 33 A P - 0 0 44 0, 0.0 316,-0.1 0, 0.0 318,-0.1 0.185 69.8-113.4 -53.2-176.1 59.2 -10.5 -112.0 34 34 A L S S+ 0 0 57 314,-0.3 315,-0.1 316,-0.2 314,-0.1 0.940 111.7 33.3 -89.5 -55.4 57.8 -7.6 -110.3 35 35 A V S S+ 0 0 49 313,-0.3 2,-1.7 1,-0.2 27,-0.1 0.846 107.2 74.8 -67.7 -36.0 59.1 -8.0 -106.8 36 36 A G S S+ 0 0 11 25,-0.1 2,-0.3 -6,-0.0 -1,-0.2 -0.604 72.7 115.5 -80.8 87.8 62.4 -9.5 -108.0 37 37 A R - 0 0 11 -2,-1.7 2,-0.4 23,-0.1 25,-0.2 -0.987 68.4-103.1-154.5 148.6 64.1 -6.4 -109.4 38 38 A L - 0 0 27 -2,-0.3 -9,-0.8 -9,-0.3 2,-0.4 -0.623 34.2-156.0 -79.3 125.6 67.2 -4.4 -108.5 39 39 A R E -CD 28 60A 98 21,-1.3 21,-2.3 -2,-0.4 2,-0.5 -0.807 12.6-173.6-104.5 139.5 66.6 -1.2 -106.7 40 40 A L E -CD 27 59A 31 -13,-1.6 -13,-2.1 -2,-0.4 2,-0.6 -0.931 6.6-171.4-132.3 109.0 68.9 1.7 -106.6 41 41 A T E -CD 26 58A 21 17,-2.6 17,-2.7 -2,-0.5 2,-0.5 -0.897 6.6-177.8-104.3 118.5 67.9 4.4 -104.2 42 42 A A E + D 0 57A 16 -17,-2.3 2,-0.2 -2,-0.6 15,-0.2 -0.968 4.2 173.6-121.4 127.7 69.9 7.6 -104.5 43 43 A S E - D 0 56A 28 13,-2.2 13,-1.1 -2,-0.5 2,-0.2 -0.662 13.0-166.3-123.1 179.6 69.5 10.7 -102.2 44 44 A L E + D 0 55A 92 -21,-0.2 11,-0.2 -2,-0.2 2,-0.2 -0.715 15.6 156.0-172.2 117.4 71.1 14.0 -101.6 45 45 A R E - D 0 54A 163 9,-2.2 9,-1.0 -2,-0.2 2,-0.1 -0.615 29.8-138.0-130.6-172.4 70.7 16.6 -98.8 46 46 A Q - 0 0 62 7,-0.2 4,-0.5 -2,-0.2 7,-0.2 -0.593 20.1-162.5-157.0 88.7 72.6 19.5 -97.0 47 47 A N >>> + 0 0 80 -2,-0.1 5,-0.8 3,-0.1 4,-0.7 0.046 58.0 11.6 -62.8 177.5 72.4 19.8 -93.2 48 48 A G T 345S- 0 0 63 1,-0.2 2,-1.7 2,-0.2 -2,-0.1 0.026 127.6 -27.1 48.1-157.6 73.3 22.9 -91.3 49 49 A A T 345S- 0 0 98 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 -0.464 110.8 -66.4 -85.7 63.8 73.7 26.2 -93.2 50 50 A K T <45S+ 0 0 35 -2,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.740 100.1 140.8 59.6 19.4 74.8 24.6 -96.4 51 51 A T T <5 + 0 0 79 -4,-0.7 41,-1.6 1,-0.1 2,-0.3 0.925 66.9 0.2 -58.1 -46.9 77.8 23.6 -94.3 52 52 A A E < - E 0 91A 15 -5,-0.8 2,-0.4 39,-0.2 39,-0.2 -0.934 63.6-130.4-143.8 164.2 78.0 20.1 -95.8 53 53 A Y E - E 0 90A 39 37,-2.9 37,-3.1 -2,-0.3 2,-0.5 -0.973 18.0-158.0-120.6 124.8 76.4 17.8 -98.4 54 54 A R E -DE 45 89A 126 -9,-1.0 -9,-2.2 -2,-0.4 2,-0.3 -0.891 5.8-167.7-109.3 130.2 75.4 14.2 -97.7 55 55 A V E -DE 44 88A 38 33,-2.9 33,-0.9 -2,-0.5 2,-0.4 -0.778 2.8-167.5-108.4 153.9 74.9 11.6 -100.4 56 56 A N E -DE 43 87A 50 -13,-1.1 -13,-2.2 -2,-0.3 2,-0.4 -0.986 6.3-173.4-146.8 133.8 73.3 8.2 -99.9 57 57 A L E -DE 42 86A 62 29,-1.8 29,-1.7 -2,-0.4 2,-0.5 -0.980 1.6-173.7-131.2 123.8 73.2 5.1 -102.1 58 58 A K E -DE 41 85A 88 -17,-2.7 -17,-2.6 -2,-0.4 2,-0.5 -0.962 2.7-169.3-120.0 126.8 71.2 2.0 -101.5 59 59 A L E -DE 40 84A 63 25,-0.6 25,-1.0 -2,-0.5 2,-0.6 -0.968 4.6-164.8-115.9 123.9 71.5 -1.1 -103.6 60 60 A D E +DE 39 83A 23 -21,-2.3 -21,-1.3 -2,-0.5 2,-0.9 -0.863 9.2 179.9-118.5 103.3 69.0 -3.9 -103.2 61 61 A Q E - E 0 82A 92 21,-2.2 21,-2.2 -2,-0.6 2,-0.4 -0.833 10.2-168.6-102.6 101.2 69.7 -7.4 -104.6 62 62 A A E - E 0 81A 21 -2,-0.9 2,-0.8 -25,-0.2 19,-0.2 -0.739 17.5-137.6 -87.1 129.3 66.8 -9.7 -103.8 63 63 A D E - E 0 80A 52 17,-2.3 16,-1.9 -2,-0.4 17,-0.7 -0.827 31.2-175.8 -91.8 115.3 67.5 -13.3 -104.5 64 64 A V E - E 0 78A 47 -2,-0.8 2,-0.4 14,-0.2 14,-0.2 -0.880 12.0-169.4-116.9 144.8 64.3 -14.7 -106.2 65 65 A V E - E 0 77A 49 12,-2.5 12,-1.3 -2,-0.3 2,-0.6 -0.983 9.8-160.4-139.9 129.7 63.3 -18.2 -107.3 66 66 A D - 0 0 77 -2,-0.4 3,-0.4 10,-0.2 4,-0.1 -0.904 5.4-175.4-108.7 118.8 60.5 -19.6 -109.4 67 67 A C > + 0 0 46 -2,-0.6 4,-3.2 8,-0.4 3,-0.2 -0.007 49.7 120.5 -98.0 27.3 59.8 -23.3 -109.0 68 68 A S T 4 S+ 0 0 51 1,-0.2 5,-0.2 2,-0.2 -1,-0.2 0.716 77.8 51.5 -63.4 -16.6 57.1 -23.1 -111.8 69 69 A T T 4 S+ 0 0 129 -3,-0.4 3,-0.2 3,-0.1 -1,-0.2 0.812 119.4 31.6 -85.7 -38.0 59.4 -25.7 -113.6 70 70 A S T 4 S+ 0 0 109 1,-0.3 2,-0.7 -3,-0.2 -2,-0.2 0.888 129.8 35.1 -85.3 -50.6 59.6 -28.2 -110.6 71 71 A V S >< S- 0 0 80 -4,-3.2 3,-0.6 3,-0.0 -1,-0.3 -0.852 84.7-146.0-110.0 90.5 56.1 -27.5 -109.1 72 72 A C T 3 S+ 0 0 129 -2,-0.7 -3,-0.1 1,-0.2 -4,-0.1 -0.392 86.7 43.8 -58.1 125.0 53.7 -26.8 -111.9 73 73 A G T 3 S+ 0 0 75 1,-0.4 2,-0.3 -5,-0.2 -1,-0.2 0.592 94.1 112.0 109.7 20.0 51.2 -24.3 -110.6 74 74 A E < - 0 0 62 -3,-0.6 -1,-0.4 -6,-0.1 -8,-0.0 -0.936 46.0-157.0-131.7 156.2 53.7 -22.1 -108.9 75 75 A L - 0 0 78 -2,-0.3 -8,-0.4 1,-0.1 -10,-0.1 -0.768 38.5 -68.6-122.4 165.2 55.2 -18.6 -109.2 76 76 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.079 45.9-174.0 -53.7 147.3 58.3 -16.8 -108.2 77 77 A K E -E 65 0A 160 -12,-1.3 -12,-2.5 -42,-0.0 2,-0.7 -0.987 24.9-114.9-144.3 149.1 59.1 -16.0 -104.5 78 78 A V E -E 64 0A 58 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.1 -0.787 20.6-173.8 -95.9 116.2 61.8 -14.0 -102.7 79 79 A R E - 0 0 171 -16,-1.9 2,-0.3 -2,-0.7 -1,-0.2 0.991 63.8 -36.1 -63.6 -66.5 64.2 -15.8 -100.4 80 80 A Y E -E 63 0A 115 -17,-0.7 -17,-2.3 -19,-0.0 2,-0.4 -0.892 51.7-123.3-151.1 177.1 66.1 -12.9 -98.9 81 81 A T E -E 62 0A 84 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.989 16.9-166.3-137.7 127.1 67.5 -9.5 -99.8 82 82 A Q E -E 61 0A 114 -21,-2.2 -21,-2.2 -2,-0.4 2,-0.2 -0.847 14.9-166.9-110.9 147.6 71.1 -8.3 -99.4 83 83 A V E -E 60 0A 87 -2,-0.3 -23,-0.2 -23,-0.2 2,-0.2 -0.729 22.8-160.6-129.6 179.1 72.1 -4.6 -99.6 84 84 A W E -E 59 0A 116 -25,-1.0 -25,-0.6 -2,-0.2 2,-0.2 -0.646 18.9-176.1-161.8 96.4 75.0 -2.2 -99.9 85 85 A S E -E 58 0A 75 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.651 9.0-156.0-101.1 156.2 74.6 1.4 -98.8 86 86 A H E -E 57 0A 74 -29,-1.7 -29,-1.8 -2,-0.2 2,-0.6 -0.994 7.5-169.9-130.2 133.6 77.0 4.4 -99.1 87 87 A D E +E 56 0A 91 -2,-0.4 2,-0.4 -31,-0.2 -31,-0.2 -0.852 15.5 179.9-123.3 92.8 77.0 7.5 -97.0 88 88 A V E -E 55 0A 59 -33,-0.9 -33,-2.9 -2,-0.6 2,-0.5 -0.769 10.2-158.7 -93.5 141.8 79.4 9.9 -98.6 89 89 A T E -E 54 0A 73 -2,-0.4 2,-0.4 -35,-0.2 -35,-0.2 -0.980 7.8-169.9-125.0 124.1 79.9 13.2 -96.9 90 90 A I E -E 53 0A 45 -37,-3.1 -37,-2.9 -2,-0.5 2,-0.2 -0.947 19.7-128.4-122.0 131.8 81.2 16.3 -98.8 91 91 A V E > -E 52 0A 81 -2,-0.4 3,-1.0 -39,-0.2 -39,-0.2 -0.489 21.6-127.7 -74.1 135.1 82.4 19.7 -97.5 92 92 A A T 3 S+ 0 0 4 -41,-1.6 70,-0.5 1,-0.2 71,-0.4 0.832 105.9 32.6 -49.4 -42.5 80.8 22.7 -99.2 93 93 A N T 3 S+ 0 0 58 -42,-0.3 -1,-0.2 69,-0.1 -41,-0.1 0.482 85.5 137.7 -99.8 -0.4 84.1 24.4 -100.1 94 94 A S < - 0 0 22 -3,-1.0 2,-0.2 1,-0.1 68,-0.2 0.150 59.6 -97.7 -40.1 160.6 86.3 21.3 -100.6 95 95 A T > - 0 0 77 1,-0.1 4,-2.3 66,-0.1 5,-0.3 -0.601 19.4-122.3 -87.1 148.0 88.7 21.4 -103.6 96 96 A E H > S+ 0 0 150 -2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.864 118.1 57.0 -54.7 -29.2 87.9 19.8 -106.9 97 97 A A H > S+ 0 0 61 2,-0.2 4,-1.7 3,-0.2 5,-0.3 0.991 105.0 45.4 -62.8 -63.2 91.1 17.9 -106.0 98 98 A S H > S+ 0 0 51 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.944 114.1 49.5 -45.2 -60.7 90.0 16.6 -102.7 99 99 A R H X S+ 0 0 72 -4,-2.3 4,-1.7 2,-0.2 -1,-0.3 0.911 112.6 49.7 -47.6 -47.0 86.7 15.5 -104.1 100 100 A K H >X S+ 0 0 114 -4,-2.3 3,-1.7 -5,-0.3 4,-1.0 0.974 109.9 45.6 -55.5 -79.0 88.4 13.8 -107.0 101 101 A S H 3X S+ 0 0 60 -4,-1.7 4,-2.8 1,-0.3 5,-0.2 0.819 107.5 60.8 -30.6 -57.1 91.0 11.8 -105.2 102 102 A L H 3X S+ 0 0 80 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.3 0.894 109.1 42.2 -41.6 -53.0 88.4 10.6 -102.7 103 103 A Y H < S+ 0 0 85 -4,-3.6 3,-1.3 -5,-0.3 6,-0.3 0.925 103.5 43.8 -44.8 -54.7 89.6 0.3 -103.1 110 110 A V H 3< S+ 0 0 63 -4,-2.7 6,-0.5 1,-0.3 -1,-0.2 0.927 103.2 62.5 -59.6 -49.4 86.6 -1.7 -104.1 111 111 A A T 3< S+ 0 0 90 -4,-1.5 -1,-0.3 -5,-0.3 2,-0.2 0.454 82.4 125.7 -59.0 3.8 88.2 -3.5 -107.1 112 112 A T <> - 0 0 39 -3,-1.3 4,-2.4 -4,-0.4 5,-0.2 -0.441 66.2-140.6 -71.2 134.0 90.6 -5.0 -104.6 113 113 A S H > S+ 0 0 73 1,-0.2 4,-3.3 -2,-0.2 5,-0.2 0.956 106.2 57.1 -54.2 -47.5 90.9 -8.7 -104.4 114 114 A Q H > S+ 0 0 60 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.864 107.6 45.2 -50.3 -47.0 91.1 -8.2 -100.6 115 115 A V H > S+ 0 0 22 -6,-0.3 4,-2.6 2,-0.2 5,-0.3 0.995 112.7 50.2 -60.9 -63.1 87.7 -6.5 -100.5 116 116 A E H X S+ 0 0 125 -4,-2.4 4,-2.9 -6,-0.5 5,-0.4 0.909 112.1 48.4 -38.0 -61.5 86.1 -9.0 -102.8 117 117 A D H X>S+ 0 0 55 -4,-3.3 4,-3.2 1,-0.2 5,-1.0 0.935 111.2 51.3 -46.2 -55.8 87.5 -11.8 -100.6 118 118 A L H X5S+ 0 0 55 -4,-2.8 4,-2.4 5,-0.3 -1,-0.2 0.933 114.0 42.0 -46.5 -59.2 86.2 -10.1 -97.6 119 119 A V H <5S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.903 121.2 38.7 -58.1 -48.9 82.7 -9.6 -98.9 120 120 A V H <5S+ 0 0 105 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.880 137.6 13.4 -74.6 -39.6 82.2 -13.0 -100.5 121 121 A N H <5S- 0 0 117 -4,-3.2 -3,-0.2 -5,-0.4 -2,-0.2 0.525 101.8-112.0-114.4 -9.5 84.0 -15.2 -97.9 122 122 A L << + 0 0 133 -4,-2.4 -4,-0.3 -5,-1.0 -3,-0.2 0.891 50.7 172.0 77.3 46.3 84.3 -12.8 -94.9 123 123 A V - 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