==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-10 3MVG . COMPND 2 MOLECULE: RIBOSOME INACTIVATING TYPE 1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: IRIS HOLLANDICA; . AUTHOR A.MEYER,W.WEBER,T.P.SINGH,C.BETZEL . 501 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 2 0 2 0 6 0 2 0 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 0 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 . 6 4 0 2 3 1 2 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 . 4 2 0 0 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 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 I 0 0 67 0, 0.0 49,-0.1 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 137.8 11.3 18.2 23.1 2 2 A E - 0 0 121 47,-0.3 49,-3.0 1,-0.1 2,-0.4 -0.157 360.0-154.7 -40.3 130.4 12.0 16.1 20.0 3 3 A T E -a 51 0A 45 47,-0.2 2,-0.4 49,-0.1 49,-0.2 -0.963 20.9-169.5-128.4 135.3 9.0 13.8 19.6 4 4 A V E -a 52 0A 14 47,-2.4 49,-1.6 -2,-0.4 2,-0.3 -0.987 21.3-153.0-118.7 128.3 8.5 10.4 17.9 5 5 A E E +a 53 0A 85 -2,-0.4 2,-0.3 47,-0.2 49,-0.2 -0.753 17.6 179.5-110.8 152.6 4.9 9.2 17.5 6 6 A F E -a 54 0A 10 47,-2.3 49,-2.2 -2,-0.3 2,-0.4 -0.976 7.2-165.7-146.5 134.2 3.1 5.8 17.3 7 7 A R E -a 55 0A 103 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.976 17.4-147.7-120.5 134.4 -0.7 5.1 16.9 8 8 A V S > S+ 0 0 0 47,-2.2 3,-2.1 -2,-0.4 49,-0.1 0.858 71.8 99.9 -67.6 -32.8 -2.3 1.7 17.4 9 9 A T T 3 S+ 0 0 80 47,-0.4 -2,-0.1 1,-0.3 46,-0.0 -0.309 99.2 2.4 -58.7 122.9 -5.0 2.3 14.8 10 10 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -2,-0.1 5,-0.1 0.608 89.1 176.9 77.4 13.0 -4.0 0.5 11.5 11 11 A T < + 0 0 1 -3,-2.1 2,-0.3 4,-0.1 -1,-0.2 -0.244 3.3 176.6 -56.8 131.9 -0.8 -1.0 13.0 12 12 A T > - 0 0 40 1,-0.1 4,-2.2 171,-0.0 5,-0.2 -0.778 47.1-102.2-122.3 170.3 1.1 -3.3 10.7 13 13 A R H > S+ 0 0 25 -2,-0.3 4,-2.5 163,-0.2 5,-0.2 0.936 124.8 49.8 -55.5 -44.9 4.5 -5.1 11.2 14 14 A R H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 109.0 49.1 -63.4 -44.6 6.0 -2.3 9.0 15 15 A S H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 113.1 47.1 -67.4 -37.4 4.5 0.6 10.9 16 16 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.942 115.1 45.9 -67.8 -46.1 5.6 -0.7 14.3 17 17 A S H X S+ 0 0 32 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.883 111.2 52.7 -64.8 -37.9 9.1 -1.5 13.0 18 18 A D H X S+ 0 0 51 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.907 108.3 52.0 -62.2 -43.2 9.3 1.9 11.3 19 19 A F H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.953 111.2 46.1 -55.1 -51.8 8.4 3.6 14.6 20 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.867 111.6 51.4 -63.9 -37.1 11.1 1.7 16.5 21 21 A Q H X S+ 0 0 25 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.931 110.7 47.5 -68.6 -43.0 13.7 2.5 13.9 22 22 A N H X S+ 0 0 86 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.895 112.2 52.3 -60.3 -38.7 12.9 6.2 14.0 23 23 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 3,-0.3 0.949 108.9 48.2 -61.1 -48.7 13.0 6.0 17.8 24 24 A R H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.895 108.6 55.5 -58.5 -40.8 16.5 4.3 17.7 25 25 A N H < S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.6 41.3 -63.7 -34.6 17.7 7.0 15.3 26 26 A R H < S+ 0 0 104 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.801 115.1 50.3 -81.8 -33.3 16.7 9.8 17.7 27 27 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.913 94.5 93.5 -66.0 -44.2 17.9 8.0 20.8 28 28 A S S < S- 0 0 17 -4,-2.7 11,-0.2 -5,-0.2 4,-0.1 -0.079 71.6-142.1 -53.9 144.8 21.3 7.3 19.3 29 29 A S - 0 0 37 9,-2.4 -1,-0.1 2,-0.3 10,-0.1 0.503 46.8-112.9 -77.3 -9.5 24.3 9.6 19.8 30 30 A G S S+ 0 0 60 1,-0.4 2,-0.1 8,-0.3 9,-0.1 -0.039 82.8 120.9 95.8 -32.6 25.3 8.9 16.2 31 31 A T - 0 0 73 7,-0.4 7,-3.1 6,-0.0 2,-0.4 -0.455 51.9-152.1 -64.4 137.8 28.4 7.0 17.3 32 32 A S E -F 37 0B 42 5,-0.2 2,-0.5 -2,-0.1 -1,-0.0 -0.951 11.7-170.7-116.2 130.7 28.5 3.4 16.0 33 33 A V E > S-F 36 0B 31 3,-3.0 3,-1.6 -2,-0.4 176,-0.1 -0.980 80.9 -20.6-124.3 117.2 30.3 0.6 17.9 34 34 A H T 3 S- 0 0 80 -2,-0.5 -1,-0.1 1,-0.3 205,-0.1 0.875 127.1 -55.9 48.5 41.1 30.5 -2.7 16.0 35 35 A D T 3 S+ 0 0 27 1,-0.2 -1,-0.3 394,-0.0 396,-0.1 0.665 117.2 112.5 67.5 20.4 27.6 -1.4 13.9 36 36 A I E < S-F 33 0B 2 -3,-1.6 -3,-3.0 393,-0.0 -1,-0.2 -0.982 74.5-109.1-117.7 132.8 25.4 -0.9 16.9 37 37 A P E -F 32 0B 8 0, 0.0 210,-2.4 0, 0.0 2,-0.5 -0.371 26.2-138.1 -61.6 137.1 24.4 2.7 17.9 38 38 A L B -g 247 0C 14 -7,-3.1 -9,-2.4 208,-0.2 -7,-0.4 -0.840 18.0-129.1 -94.8 127.4 26.0 4.0 21.0 39 39 A L - 0 0 0 208,-2.8 30,-0.2 -2,-0.5 -11,-0.2 -0.339 35.2 -92.1 -71.7 158.1 23.7 6.0 23.3 40 40 A P - 0 0 12 0, 0.0 209,-0.3 0, 0.0 2,-0.3 -0.170 32.5-108.2 -67.3 162.4 24.8 9.5 24.5 41 41 A A - 0 0 55 1,-0.1 2,-0.3 207,-0.1 27,-0.1 -0.625 49.3 -92.4 -76.8 148.9 26.6 10.4 27.6 42 42 A Q + 0 0 125 -2,-0.3 -1,-0.1 1,-0.2 25,-0.0 -0.513 43.9 177.7 -67.6 125.9 24.5 12.3 30.2 43 43 A S - 0 0 72 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.650 39.1-125.7-100.4 -22.7 24.7 16.0 29.6 44 44 A G S S+ 0 0 73 1,-0.3 2,-0.2 2,-0.0 -2,-0.1 0.499 77.2 102.8 83.5 6.4 22.3 17.2 32.3 45 45 A S S > S- 0 0 60 1,-0.0 3,-2.2 4,-0.0 -1,-0.3 -0.664 92.1 -96.5-115.1 172.2 20.4 19.2 29.7 46 46 A Q G > S+ 0 0 94 1,-0.3 3,-1.9 -2,-0.2 -1,-0.0 0.647 113.4 79.2 -60.1 -19.2 17.1 18.8 27.7 47 47 A Q G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -46,-0.1 21,-0.0 0.722 84.3 64.7 -60.6 -21.7 19.2 17.3 24.9 48 48 A D G < S+ 0 0 11 -3,-2.2 20,-3.5 20,-0.1 21,-0.5 0.530 93.0 82.5 -74.4 -12.7 19.2 14.1 27.0 49 49 A L E < - B 0 67A 23 -3,-1.9 2,-0.3 18,-0.2 -47,-0.3 -0.653 50.7-176.2-104.8 155.1 15.4 13.8 26.6 50 50 A L E - B 0 66A 2 16,-1.9 16,-3.2 -2,-0.2 2,-0.4 -0.988 17.2-141.2-143.6 137.1 13.1 12.3 24.0 51 51 A F E -aB 3 65A 26 -49,-3.0 -47,-2.4 -2,-0.3 2,-0.5 -0.841 9.4-166.0 -98.3 139.0 9.2 12.3 23.9 52 52 A V E -aB 4 64A 0 12,-2.6 12,-2.9 -2,-0.4 2,-0.6 -0.951 9.1-159.0-124.9 104.8 7.3 9.3 22.6 53 53 A R E -aB 5 63A 78 -49,-1.6 -47,-2.3 -2,-0.5 2,-0.4 -0.785 10.4-169.4 -92.0 121.5 3.7 10.2 21.9 54 54 A L E -aB 6 62A 0 8,-3.0 8,-2.0 -2,-0.6 2,-0.4 -0.929 6.3-155.7-117.5 136.4 1.5 7.1 21.9 55 55 A F E -aB 7 61A 15 -49,-2.2 -47,-2.2 -2,-0.4 -46,-0.2 -0.917 7.1-146.6-117.2 131.0 -2.2 7.0 20.7 56 56 A D > - 0 0 0 4,-2.1 3,-2.2 -2,-0.4 -47,-0.4 -0.031 47.5 -75.0 -80.8-171.4 -4.8 4.4 21.8 57 57 A W T 3 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.1 74,-0.0 0.794 136.4 44.9 -60.6 -28.2 -7.7 3.1 19.7 58 58 A G T 3 S- 0 0 41 2,-0.1 -1,-0.3 -49,-0.0 -2,-0.0 0.178 120.1-108.1 -96.4 16.8 -9.6 6.3 20.1 59 59 A N < + 0 0 69 -3,-2.2 -2,-0.1 1,-0.2 -4,-0.0 0.764 67.3 151.9 55.2 29.6 -6.5 8.5 19.4 60 60 A R - 0 0 103 1,-0.0 -4,-2.1 2,-0.0 -1,-0.2 -0.812 34.7-147.0 -83.0 122.6 -6.2 9.5 23.1 61 61 A P E -B 55 0A 49 0, 0.0 18,-0.5 0, 0.0 2,-0.3 -0.584 26.1-176.7 -97.9 153.7 -2.5 10.2 23.6 62 62 A I E -BC 54 78A 1 -8,-2.0 -8,-3.0 -2,-0.2 2,-0.6 -0.964 21.7-139.6-132.0 148.3 -0.0 9.9 26.4 63 63 A T E -BC 53 77A 4 14,-2.0 14,-2.6 -2,-0.3 2,-0.3 -0.937 9.0-153.3-112.7 114.9 3.6 11.0 26.0 64 64 A L E -BC 52 76A 0 -12,-2.9 -12,-2.6 -2,-0.6 2,-0.6 -0.608 10.1-142.9 -77.0 142.7 6.4 8.9 27.5 65 65 A V E -BC 51 75A 0 10,-3.0 9,-2.9 -2,-0.3 10,-1.1 -0.956 21.0-167.9-106.0 119.1 9.6 10.8 28.4 66 66 A L E -BC 50 73A 0 -16,-3.2 -16,-1.9 -2,-0.6 2,-0.6 -0.818 22.1-132.2-104.7 147.3 12.7 8.8 27.7 67 67 A N E >>> -BC 49 72A 23 5,-2.3 4,-1.9 -2,-0.3 3,-0.9 -0.893 14.6-150.0 -89.5 118.9 16.2 9.4 28.8 68 68 A R T 345S+ 0 0 36 -20,-3.5 -1,-0.1 -2,-0.6 -19,-0.1 0.790 91.0 70.0 -61.2 -26.7 18.3 9.1 25.6 69 69 A V T 345S+ 0 0 21 -21,-0.5 180,-0.5 1,-0.2 -1,-0.2 0.870 123.2 8.3 -59.1 -38.0 21.3 7.9 27.8 70 70 A N T <45S- 0 0 47 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.371 94.3-122.7-127.7 4.8 19.5 4.6 28.6 71 71 A A T <5 + 0 0 0 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.681 69.3 134.6 60.8 22.3 16.5 4.6 26.3 72 72 A Y E < -C 67 0A 29 -5,-0.8 -5,-2.3 1,-0.1 2,-0.2 -0.696 62.0-101.4-111.5 154.6 14.3 4.2 29.4 73 73 A V E +C 66 0A 4 -2,-0.3 -7,-0.2 -7,-0.2 33,-0.1 -0.502 37.0 165.1 -73.1 132.4 11.1 5.9 30.7 74 74 A V E - 0 0 24 -9,-2.9 11,-2.0 1,-0.4 2,-0.3 0.517 67.4 -13.7-117.2 -16.4 11.5 8.6 33.3 75 75 A A E -CD 65 84A 1 -10,-1.1 -10,-3.0 9,-0.2 -1,-0.4 -0.966 56.8-144.4-170.3 168.1 8.0 10.2 33.2 76 76 A Y E -CD 64 83A 2 7,-2.2 7,-2.8 -2,-0.3 2,-0.4 -0.988 10.6-135.9-146.8 155.8 4.9 10.4 31.2 77 77 A Q E +CD 63 82A 46 -14,-2.6 -14,-2.0 -2,-0.3 2,-0.3 -0.924 22.4 172.9-108.9 137.0 2.3 13.1 30.3 78 78 A A E > -CD 62 81A 3 3,-2.6 3,-0.9 -2,-0.4 -16,-0.1 -0.975 69.3 -13.2-141.9 128.4 -1.5 12.4 30.4 79 79 A Q T 3 S- 0 0 129 -18,-0.5 -1,-0.1 -2,-0.3 3,-0.1 0.902 129.1 -48.8 46.5 53.4 -4.2 15.1 29.9 80 80 A N T 3 S+ 0 0 149 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.731 118.2 99.8 62.4 28.0 -1.8 18.0 30.3 81 81 A R E < -D 78 0A 90 -3,-0.9 -3,-2.6 15,-0.0 2,-0.3 -0.993 63.3-135.8-136.8 138.6 -0.1 16.8 33.5 82 82 A F E -D 77 0A 17 13,-0.6 18,-2.7 -2,-0.3 2,-0.4 -0.691 10.3-156.5 -90.4 147.7 3.3 15.1 33.9 83 83 A Y E -De 76 100A 13 -7,-2.8 -7,-2.2 -2,-0.3 2,-0.4 -0.995 12.8-156.3-125.7 121.7 3.8 12.0 36.1 84 84 A L E -De 75 101A 1 16,-2.8 18,-3.3 -2,-0.4 -9,-0.2 -0.828 18.1-120.5-105.9 137.1 7.3 11.4 37.4 85 85 A L > - 0 0 5 -11,-2.0 3,-1.8 -2,-0.4 20,-0.2 -0.369 43.2-102.5 -63.0 156.1 8.9 8.2 38.5 86 86 A S T 3 S+ 0 0 44 18,-2.7 19,-0.2 1,-0.3 -1,-0.1 0.784 119.6 45.1 -60.7 -28.6 10.1 8.6 42.1 87 87 A D T 3 S+ 0 0 105 17,-0.2 -1,-0.3 2,-0.1 18,-0.1 0.448 83.6 115.4 -93.8 0.0 13.7 9.0 41.2 88 88 A T S < S- 0 0 7 -3,-1.8 -4,-0.1 -14,-0.2 -14,-0.0 -0.557 70.4-118.1 -77.9 123.1 13.2 11.4 38.3 89 89 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.308 32.7-106.7 -60.4 137.9 14.8 14.9 38.9 90 90 A A + 0 0 75 -6,-0.0 0, 0.0 4,-0.0 0, 0.0 -0.298 39.9 174.7 -59.6 147.7 12.3 17.8 39.0 91 91 A N >> - 0 0 54 5,-0.2 4,-3.2 1,-0.1 3,-1.3 -0.607 17.2-171.8-161.2 89.9 12.3 20.1 36.0 92 92 A P H 3> S+ 0 0 81 0, 0.0 4,-1.4 0, 0.0 6,-0.1 0.818 87.5 61.6 -56.2 -32.6 9.7 22.8 35.8 93 93 A Q H 34 S+ 0 0 78 2,-0.2 4,-0.1 1,-0.1 -2,-0.0 0.778 120.9 22.2 -64.2 -30.0 10.8 23.7 32.2 94 94 A V H <4 S+ 0 0 15 -3,-1.3 -1,-0.1 2,-0.2 -4,-0.0 0.826 133.6 34.0-102.7 -45.9 9.9 20.2 31.0 95 95 A Y H < S- 0 0 13 -4,-3.2 -13,-0.6 1,-0.3 3,-0.2 0.433 103.1-120.6 -97.4 -2.7 7.3 18.8 33.4 96 96 A G < - 0 0 35 -4,-1.4 -1,-0.3 -5,-0.4 -5,-0.2 -0.215 38.1 -68.3 83.0 179.3 5.5 22.0 34.4 97 97 A N S S+ 0 0 139 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.747 125.2 32.8 -82.2 -24.9 5.1 23.5 37.9 98 98 A N S S+ 0 0 129 -3,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.368 71.9 158.5-132.2 55.3 2.9 20.8 39.4 99 99 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 -16,-0.2 -0.385 42.8-114.4 -72.4 159.2 3.7 17.4 38.1 100 100 A H E -e 83 0A 46 -18,-2.7 -16,-2.8 -2,-0.1 2,-0.6 -0.841 21.5-142.5 -96.7 129.9 2.7 14.4 40.2 101 101 A R E -e 84 0A 98 -2,-0.5 -16,-0.2 -18,-0.2 2,-0.1 -0.810 13.1-141.1 -93.8 123.1 5.5 12.2 41.6 102 102 A L - 0 0 2 -18,-3.3 -19,-0.0 -2,-0.6 -1,-0.0 -0.399 16.2-124.6 -75.2 156.9 4.7 8.5 41.7 103 103 A T S S+ 0 0 106 -2,-0.1 2,-0.3 -18,-0.1 -1,-0.1 0.486 85.3 63.5 -86.2 -1.5 5.9 6.5 44.7 104 104 A F S S- 0 0 8 1,-0.0 -18,-2.7 7,-0.0 -17,-0.2 -0.854 71.9-128.9-123.7 155.9 7.9 3.9 42.7 105 105 A T - 0 0 40 -2,-0.3 -31,-0.1 -20,-0.2 -2,-0.0 -0.325 36.2-102.4 -85.8 179.4 10.9 3.9 40.4 106 106 A G S S+ 0 0 5 -2,-0.1 -33,-0.1 -33,-0.1 -1,-0.0 0.322 78.1 122.4 -88.2 6.5 11.0 2.3 37.0 107 107 A S S > S- 0 0 60 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.391 71.5-124.9 -64.9 148.1 12.9 -0.9 38.0 108 108 A Y H > S+ 0 0 31 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.863 112.1 58.5 -62.3 -32.8 11.0 -4.1 37.2 109 109 A G H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.946 111.9 39.2 -58.0 -50.6 11.3 -5.0 40.9 110 110 A A H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.928 117.9 48.4 -66.2 -46.3 9.5 -1.8 41.9 111 111 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.920 112.1 48.3 -61.8 -45.0 7.0 -1.9 39.0 112 112 A Q H X>S+ 0 0 39 -4,-3.0 5,-1.4 -5,-0.2 4,-1.2 0.853 109.8 53.0 -66.0 -35.2 6.1 -5.6 39.6 113 113 A N H <5S+ 0 0 129 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.2 0.947 114.1 41.4 -61.9 -48.7 5.6 -5.0 43.3 114 114 A V H <5S+ 0 0 26 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.891 116.1 49.5 -67.7 -38.9 3.2 -2.1 42.7 115 115 A A H <5S- 0 0 4 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.682 99.6-136.6 -72.8 -19.5 1.4 -4.0 39.9 116 116 A K T <5S+ 0 0 167 -4,-1.2 2,-0.3 -3,-0.3 -3,-0.2 0.817 74.7 92.0 64.8 31.6 1.0 -7.1 42.0 117 117 A S S - 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