==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 14-FEB-12 4DPY . COMPND 2 MOLECULE: MEVALONATE DIPHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR M.L.BARTA,W.J.MCWHORTER,B.V.GEISBRECHT . 653 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 20.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 51 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.7 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 1 0 4 1 0 0 3 1 0 2 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 3 6 0 4 4 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 0 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 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 -2 A T 0 0 144 0, 0.0 6,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 155.6 -49.2 -38.4 -30.7 2 -1 A G > - 0 0 44 1,-0.1 3,-1.1 2,-0.1 0, 0.0 -0.057 360.0-105.8 -63.9 164.1 -50.4 -42.0 -30.4 3 0 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.838 119.1 34.0 -58.3 -41.2 -52.2 -43.5 -27.4 4 1 A M T 3 S+ 0 0 119 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.272 97.7 108.9-102.8 11.6 -49.3 -45.5 -26.1 5 2 A V < - 0 0 20 -3,-1.1 2,-0.6 48,-0.1 48,-0.2 -0.771 49.7-163.3 -99.1 128.8 -46.7 -43.0 -27.0 6 3 A K E +A 52 0A 109 46,-2.8 46,-3.7 -2,-0.5 2,-0.3 -0.925 17.4 170.8-112.3 116.0 -44.9 -40.9 -24.5 7 4 A S E +A 51 0A 39 -2,-0.6 2,-0.3 44,-0.3 44,-0.2 -0.906 10.9 172.7-126.3 157.5 -43.1 -37.8 -25.7 8 5 A G E -A 50 0A 6 42,-2.1 42,-3.1 -2,-0.3 2,-0.4 -0.975 11.5-159.3-156.1 148.1 -41.4 -34.8 -24.1 9 6 A K E -A 49 0A 51 320,-0.4 320,-2.4 -2,-0.3 2,-0.3 -0.998 12.1-176.4-137.7 133.0 -39.3 -31.9 -25.5 10 7 A A E -AB 48 328A 0 38,-2.5 38,-2.9 -2,-0.4 2,-0.5 -0.930 19.4-147.1-132.9 152.0 -36.9 -29.7 -23.7 11 8 A R E +AB 47 327A 63 316,-3.2 316,-2.6 -2,-0.3 2,-0.4 -0.979 22.4 176.9-115.1 123.3 -34.7 -26.6 -24.3 12 9 A A E -A 46 0A 0 34,-2.3 34,-2.7 -2,-0.5 2,-0.2 -0.977 19.0-135.1-128.3 143.2 -31.4 -26.4 -22.4 13 10 A H E -A 45 0A 14 135,-0.5 32,-0.3 -2,-0.4 29,-0.1 -0.593 20.1-111.9 -98.8 153.7 -28.7 -23.7 -22.7 14 11 A T E - 0 0 7 30,-2.3 27,-2.2 27,-0.3 2,-0.3 -0.301 31.0-154.4 -74.3 163.2 -24.9 -24.1 -22.8 15 12 A N E -A 40 0A 10 25,-0.3 2,-0.5 -2,-0.0 25,-0.2 -0.982 9.0-142.9-139.0 153.7 -22.7 -23.0 -20.0 16 13 A I E -A 39 0A 14 23,-2.4 23,-2.0 -2,-0.3 2,-0.4 -0.978 21.9-128.9-117.4 126.1 -19.2 -21.8 -19.6 17 14 A A E -A 38 0A 0 -2,-0.5 21,-0.3 21,-0.2 3,-0.2 -0.575 22.1-179.0 -74.2 124.3 -17.1 -22.8 -16.6 18 15 A L E S+ 0 0 0 19,-3.2 2,-0.6 -2,-0.4 225,-0.2 0.797 87.8 40.3 -90.2 -38.6 -15.5 -19.8 -14.9 19 16 A I E S-A 37 0A 0 18,-2.1 18,-2.0 223,-0.1 -1,-0.3 -0.978 110.6-117.2-104.8 119.9 -13.9 -22.1 -12.3 20 17 A K - 0 0 0 -2,-0.6 2,-0.5 16,-0.2 18,-0.1 -0.262 15.4-148.9 -74.3 137.2 -12.9 -25.1 -14.4 21 18 A Y + 0 0 0 634,-1.0 2,-0.2 -2,-0.1 3,-0.1 -0.874 37.6 157.0 -83.8 124.7 -14.0 -28.7 -14.2 22 19 A W + 0 0 0 -2,-0.5 174,-0.0 1,-0.4 -2,-0.0 -0.679 43.6 12.2-161.1 100.5 -10.9 -30.6 -15.3 23 20 A G - 0 0 0 -2,-0.2 10,-2.6 10,-0.1 -1,-0.4 0.246 69.8-116.6 102.2 133.5 -10.1 -34.2 -14.5 24 21 A K E -H 32 0B 7 8,-0.3 3,-0.2 172,-0.1 6,-0.0 -0.798 10.3-159.9-105.5 138.7 -12.4 -36.9 -13.0 25 22 A A E S+ 0 0 61 6,-2.1 2,-0.4 -2,-0.4 -1,-0.1 0.851 96.5 27.3 -73.9 -38.0 -12.2 -38.8 -9.7 26 23 A D E >> -H 31 0B 61 5,-2.1 5,-2.2 1,-0.1 4,-0.7 -0.971 67.0-167.7-131.2 120.6 -14.4 -41.5 -11.3 27 24 A E T 45S+ 0 0 94 -2,-0.4 -1,-0.1 3,-0.2 -2,-0.0 0.779 83.7 50.0 -82.3 -28.0 -14.5 -42.1 -15.0 28 25 A T T 45S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.931 122.0 29.7 -78.9 -44.4 -17.5 -44.3 -15.3 29 26 A Y T 45S- 0 0 102 2,-0.1 -2,-0.2 112,-0.0 -1,-0.2 0.491 108.7-120.0 -89.5 -2.4 -20.0 -42.2 -13.3 30 27 A I T <5 + 0 0 4 -4,-0.7 -3,-0.2 1,-0.2 112,-0.1 0.998 46.8 169.6 58.1 65.7 -18.3 -38.9 -14.2 31 28 A I E < -H 26 0B 6 -5,-2.2 -6,-2.1 129,-0.1 -5,-2.1 -0.952 26.9-135.3-103.9 128.2 -17.4 -37.7 -10.7 32 29 A P E -H 24 0B 2 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.383 11.2-127.3 -87.7 163.4 -15.0 -34.7 -10.9 33 30 A M S S+ 0 0 38 -10,-2.6 2,-0.3 1,-0.1 -9,-0.1 0.662 91.0 11.8 -80.0 -16.8 -11.8 -34.0 -8.9 34 31 A N S S- 0 0 1 -11,-0.4 -1,-0.1 124,-0.1 -12,-0.1 -0.987 85.2 -90.2-154.7 160.8 -13.0 -30.6 -7.9 35 32 A N - 0 0 11 -2,-0.3 2,-0.3 -14,-0.1 122,-0.2 -0.294 40.1-156.0 -65.2 157.7 -16.1 -28.3 -7.8 36 33 A S E - C 0 156A 0 120,-1.3 120,-1.8 -15,-0.1 2,-0.4 -0.930 7.6-151.9-134.4 162.0 -16.8 -26.0 -10.8 37 34 A L E +AC 19 155A 1 -18,-2.0 -19,-3.2 -2,-0.3 -18,-2.1 -0.998 22.3 168.6-138.0 131.6 -18.6 -22.8 -11.3 38 35 A S E -AC 17 154A 0 116,-2.5 116,-2.1 -2,-0.4 2,-0.4 -0.858 29.5-132.1-138.0 167.1 -20.3 -21.6 -14.5 39 36 A V E -AC 16 153A 0 -23,-2.0 -23,-2.4 -2,-0.3 2,-0.5 -0.984 26.7-129.5-121.4 140.3 -22.6 -19.2 -16.2 40 37 A T E -A 15 0A 2 112,-1.6 282,-1.7 -2,-0.4 112,-0.4 -0.784 23.2-131.3 -96.2 126.4 -25.4 -20.3 -18.5 41 38 A L E -I 321 0C 0 -27,-2.2 -27,-0.3 -2,-0.5 280,-0.2 -0.568 7.9-154.3 -85.7 133.1 -25.6 -18.5 -21.8 42 39 A D E S+ 0 0 73 278,-2.6 279,-0.1 -2,-0.3 -1,-0.1 0.867 90.0 51.4 -66.8 -39.0 -28.8 -17.1 -23.3 43 40 A R E S+ 0 0 107 277,-0.5 2,-0.4 1,-0.1 -1,-0.2 0.796 101.7 60.6 -75.6 -30.0 -27.8 -17.3 -27.0 44 41 A F E + 0 0 7 -30,-0.1 -30,-2.3 -3,-0.1 2,-0.3 -0.874 63.3 134.6-115.0 129.2 -26.7 -20.9 -27.3 45 42 A Y E -AD 13 100A 55 55,-1.6 55,-2.9 -2,-0.4 2,-0.4 -0.969 41.3-122.6-162.1 167.9 -28.9 -23.9 -26.6 46 43 A T E -AD 12 99A 0 -34,-2.7 -34,-2.3 -2,-0.3 2,-0.5 -0.972 14.9-152.9-123.2 137.9 -30.1 -27.4 -27.7 47 44 A E E -AD 11 98A 19 51,-2.6 51,-2.7 -2,-0.4 2,-0.5 -0.948 18.4-175.3-110.8 124.6 -33.6 -28.5 -28.3 48 45 A T E -AD 10 97A 3 -38,-2.9 -38,-2.5 -2,-0.5 2,-0.4 -0.957 12.1-170.6-131.9 120.1 -34.4 -32.1 -27.8 49 46 A K E -AD 9 96A 72 47,-3.0 47,-2.8 -2,-0.5 2,-0.4 -0.870 7.8-168.7-101.2 135.8 -37.5 -34.1 -28.4 50 47 A V E -AD 8 95A 0 -42,-3.1 -42,-2.1 -2,-0.4 2,-0.5 -0.987 2.2-167.7-125.7 136.3 -37.8 -37.7 -27.1 51 48 A T E -AD 7 94A 22 43,-2.1 43,-2.5 -2,-0.4 2,-0.5 -0.960 4.8-160.1-129.2 114.1 -40.5 -40.0 -28.1 52 49 A F E +AD 6 93A 0 -46,-3.7 -46,-2.8 -2,-0.5 41,-0.2 -0.836 16.3 172.1 -95.2 125.3 -41.1 -43.3 -26.3 53 50 A D > - 0 0 29 39,-1.4 3,-2.6 -2,-0.5 39,-0.5 -0.988 34.7-139.5-137.4 124.5 -43.1 -46.0 -28.2 54 51 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 0.748 104.3 59.5 -49.1 -31.3 -43.6 -49.6 -27.1 55 52 A D T 3 S+ 0 0 128 37,-0.0 2,-0.3 -3,-0.0 -3,-0.0 0.568 80.7 105.4 -79.9 -10.1 -43.2 -50.7 -30.8 56 53 A F < - 0 0 69 -3,-2.6 36,-0.4 36,-0.2 3,-0.1 -0.556 51.3-168.3 -72.3 133.9 -39.7 -49.2 -31.0 57 54 A T + 0 0 123 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.748 68.1 3.6 -96.2 -27.2 -37.0 -51.9 -30.9 58 55 A E S S- 0 0 86 34,-0.1 2,-0.3 35,-0.0 -1,-0.2 -0.935 86.4 -84.2-147.9 168.4 -34.0 -49.7 -30.3 59 56 A D - 0 0 1 -2,-0.3 2,-0.4 33,-0.1 35,-0.2 -0.590 37.1-163.8 -79.0 143.2 -33.1 -46.1 -29.7 60 57 A C E -e 94 0A 44 33,-2.1 35,-3.7 -2,-0.3 2,-0.5 -0.984 1.9-160.2-127.1 132.2 -32.7 -43.8 -32.7 61 58 A L E -e 95 0A 15 -2,-0.4 7,-0.8 33,-0.2 2,-0.6 -0.973 4.1-170.7-117.3 125.3 -31.1 -40.4 -32.6 62 59 A I E -eF 96 67A 28 33,-3.6 35,-2.9 -2,-0.5 2,-0.6 -0.961 9.1-166.1-115.1 117.2 -31.7 -37.7 -35.3 63 60 A L E > -eF 97 66A 37 3,-2.9 3,-1.3 -2,-0.6 35,-0.2 -0.895 69.3 -21.9-115.7 114.3 -29.4 -34.8 -35.0 64 61 A N T 3 S- 0 0 54 33,-3.2 -1,-0.2 -2,-0.6 34,-0.1 0.870 129.0 -50.6 54.1 38.3 -30.2 -31.6 -37.0 65 62 A G T 3 S+ 0 0 54 32,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.469 119.4 106.6 86.8 2.5 -32.3 -33.7 -39.3 66 63 A N E < S-F 63 0A 50 -3,-1.3 -3,-2.9 1,-0.0 -1,-0.2 -0.945 70.8-116.1-123.0 137.3 -29.6 -36.3 -39.9 67 64 A E E -F 62 0A 119 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.158 34.5-129.3 -50.8 152.7 -29.1 -39.8 -38.8 68 65 A V - 0 0 22 -7,-0.8 -7,-0.1 1,-0.1 -1,-0.1 -0.768 26.6 -94.0-106.4 159.9 -26.0 -40.4 -36.6 69 66 A N > - 0 0 26 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.160 39.7-100.6 -66.6 165.8 -23.3 -43.1 -37.2 70 67 A A H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.751 122.2 55.9 -59.7 -25.0 -23.4 -46.5 -35.5 71 68 A K H > S+ 0 0 165 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.971 110.3 40.3 -71.7 -57.6 -20.9 -45.2 -33.0 72 69 A E H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 116.3 54.9 -57.0 -39.7 -22.9 -42.2 -31.8 73 70 A K H X S+ 0 0 65 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.905 106.9 48.1 -59.5 -46.5 -25.9 -44.5 -32.0 74 71 A E H X S+ 0 0 104 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.954 112.0 51.2 -60.5 -47.6 -24.2 -47.1 -29.7 75 72 A K H X S+ 0 0 83 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.897 109.6 47.8 -56.2 -45.5 -23.3 -44.3 -27.2 76 73 A I H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.880 108.6 55.8 -68.3 -34.8 -26.8 -42.9 -27.0 77 74 A Q H X S+ 0 0 28 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.914 106.3 49.5 -63.8 -41.0 -28.3 -46.3 -26.5 78 75 A N H X S+ 0 0 79 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.909 110.6 51.4 -64.4 -39.0 -26.1 -46.9 -23.5 79 76 A Y H >X S+ 0 0 9 -4,-1.9 4,-1.3 1,-0.2 3,-0.7 0.925 107.5 52.1 -61.5 -42.7 -27.1 -43.6 -22.1 80 77 A M H 3X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.3 -1,-0.2 0.757 97.5 67.1 -68.9 -22.7 -30.8 -44.5 -22.5 81 78 A N H 3X S+ 0 0 79 -4,-1.4 4,-2.6 2,-0.2 -1,-0.3 0.913 99.8 50.9 -60.2 -40.1 -30.2 -47.7 -20.7 82 79 A I H S+ 0 0 15 -4,-3.1 5,-1.8 2,-0.2 4,-1.2 0.888 112.2 49.3 -56.7 -43.2 -34.8 -47.0 -18.7 85 82 A D H <5S+ 0 0 139 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.942 112.2 48.6 -64.4 -45.1 -33.2 -48.3 -15.5 86 83 A L H <5S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.864 117.0 41.9 -58.9 -38.8 -34.2 -45.1 -13.7 87 84 A A H <5S- 0 0 29 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.562 104.9-126.5 -88.9 -10.6 -37.7 -45.2 -15.0 88 85 A G T <5S+ 0 0 71 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.878 72.0 106.6 64.2 39.4 -38.2 -48.9 -14.5 89 86 A N < - 0 0 39 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.840 66.0-140.0-136.5 178.0 -39.3 -49.5 -18.0 90 87 A R + 0 0 222 -2,-0.3 2,-0.2 -3,-0.1 -6,-0.1 0.106 53.0 135.8-128.0 20.0 -37.9 -51.1 -21.2 91 88 A L - 0 0 43 -7,-0.1 2,-0.3 -39,-0.0 -2,-0.1 -0.447 42.5-146.9 -69.0 137.1 -39.2 -48.5 -23.7 92 89 A H - 0 0 48 -39,-0.5 -39,-1.4 -36,-0.4 2,-0.3 -0.692 17.1-141.0 -99.3 161.2 -36.9 -47.3 -26.5 93 90 A A E -D 52 0A 0 -2,-0.3 -33,-2.1 -41,-0.2 2,-0.6 -0.883 15.6-136.1-127.6 153.5 -37.0 -43.8 -27.8 94 91 A R E -De 51 60A 100 -43,-2.5 -43,-2.1 -2,-0.3 2,-0.6 -0.950 31.3-161.1 -98.0 121.6 -36.7 -41.8 -31.0 95 92 A I E -De 50 61A 2 -35,-3.7 -33,-3.6 -2,-0.6 2,-0.5 -0.914 11.7-175.2-110.3 121.6 -34.6 -38.8 -30.1 96 93 A E E +De 49 62A 63 -47,-2.8 -47,-3.0 -2,-0.6 2,-0.4 -0.959 13.0 178.1-118.8 116.8 -34.7 -35.7 -32.4 97 94 A S E -De 48 63A 7 -35,-2.9 -33,-3.2 -2,-0.5 2,-0.4 -0.915 17.6-164.4-125.0 144.0 -32.3 -33.0 -31.4 98 95 A E E -D 47 0A 61 -51,-2.7 -51,-2.6 -2,-0.4 2,-0.6 -0.971 13.4-147.7-129.2 115.1 -31.4 -29.6 -32.8 99 96 A N E -D 46 0A 28 -2,-0.4 -53,-0.2 -53,-0.2 2,-0.2 -0.737 14.5-177.5 -82.2 117.7 -28.2 -27.8 -31.8 100 97 A Y E +D 45 0A 107 -55,-2.9 -55,-1.6 -2,-0.6 -1,-0.1 -0.485 54.5 108.0-102.8 56.1 -28.5 -24.0 -31.8 101 98 A V S S- 0 0 11 -57,-0.2 2,-2.9 -2,-0.2 3,-0.3 -0.996 82.7-114.2-131.7 134.7 -24.8 -23.8 -30.7 102 99 A P > + 0 0 5 0, 0.0 5,-2.2 0, 0.0 3,-0.2 -0.361 54.3 154.8 -66.7 69.1 -22.0 -22.6 -33.0 103 100 A T T > 5 + 0 0 39 -2,-2.9 3,-2.0 1,-0.2 535,-0.1 0.857 68.1 57.2 -69.4 -36.5 -20.3 -26.1 -33.0 104 101 A A T 3 5S+ 0 0 2 -3,-0.3 -1,-0.2 1,-0.3 327,-0.1 0.844 104.7 54.8 -60.1 -31.4 -18.6 -25.6 -36.3 105 102 A A T 3 5S- 0 0 4 -3,-0.2 -1,-0.3 325,-0.1 -2,-0.2 0.356 129.6-100.3 -85.7 6.1 -17.0 -22.5 -34.7 106 103 A G T < 5S+ 0 0 40 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.500 73.5 144.4 91.7 4.4 -15.8 -24.8 -31.9 107 104 A L < - 0 0 10 -5,-2.2 -1,-0.3 1,-0.1 2,-0.1 -0.625 52.3-116.9 -73.9 134.7 -18.4 -24.1 -29.2 108 105 A A - 0 0 70 -2,-0.3 4,-0.2 1,-0.1 -1,-0.1 -0.423 28.6-177.0 -74.4 145.9 -19.1 -27.2 -27.2 109 106 A S > + 0 0 31 -2,-0.1 4,-2.3 2,-0.1 5,-0.2 0.418 59.2 92.9-120.0 -4.0 -22.7 -28.6 -27.3 110 107 A S H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.845 83.3 53.6 -68.6 -35.3 -22.4 -31.5 -24.8 111 108 A A H > S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.963 116.0 37.9 -60.7 -52.3 -23.6 -29.6 -21.7 112 109 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.857 115.4 55.2 -69.1 -33.3 -26.8 -28.4 -23.4 113 110 A A H X S+ 0 0 25 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.932 112.2 39.7 -69.6 -45.6 -27.3 -31.7 -25.2 114 111 A Y H X S+ 0 0 20 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.855 115.6 51.2 -75.6 -30.7 -27.3 -33.9 -22.2 115 112 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.912 112.0 48.8 -68.7 -38.6 -29.2 -31.5 -20.0 116 113 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.921 111.6 48.0 -64.7 -45.1 -31.8 -31.2 -22.7 117 114 A L H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.903 111.0 51.1 -62.8 -42.7 -32.1 -35.0 -23.1 118 115 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.938 113.3 44.9 -61.3 -47.3 -32.4 -35.5 -19.3 119 116 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.891 112.2 51.2 -63.8 -41.8 -35.2 -33.0 -19.0 120 117 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.882 110.7 48.7 -66.7 -38.4 -37.1 -34.3 -22.1 121 118 A C H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.892 109.8 52.0 -64.5 -42.5 -37.0 -37.8 -20.8 122 119 A N H X>S+ 0 0 26 -4,-2.0 5,-1.7 -5,-0.2 6,-0.6 0.883 113.9 44.5 -61.8 -37.4 -38.2 -36.7 -17.4 123 120 A E H <5S+ 0 0 85 -4,-2.1 3,-0.4 3,-0.2 -2,-0.2 0.923 114.5 48.6 -71.2 -46.2 -41.1 -34.9 -19.1 124 121 A A H <5S+ 0 0 6 -4,-2.8 -2,-0.2 1,-0.2 -117,-0.2 0.933 120.5 34.3 -57.7 -51.7 -41.8 -37.8 -21.4 125 122 A L H <5S- 0 0 27 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.385 102.5-124.8 -92.4 3.3 -41.9 -40.5 -18.7 126 123 A S T <5 + 0 0 89 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.938 51.7 158.7 51.8 51.1 -43.3 -38.3 -15.9 127 124 A L < - 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0 0 1 -4,-2.2 3,-1.1 1,-0.1 4,-0.7 -0.950 59.1-134.0-154.2 130.4 -21.5 -35.2 -19.7 143 140 A G G >4 S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.895 107.6 50.4 -52.2 -48.3 -20.0 -33.6 -16.6 144 141 A S G >> S+ 0 0 4 1,-0.3 3,-1.2 2,-0.2 4,-0.7 0.733 97.9 68.9 -64.6 -23.5 -20.6 -30.0 -17.7 145 142 A A G <4 S+ 0 0 0 -3,-1.1 4,-0.5 1,-0.3 3,-0.4 0.764 81.7 75.0 -65.1 -24.9 -24.3 -30.9 -18.5 146 143 A S G << S+ 0 0 0 -3,-1.4 3,-0.4 -4,-0.7 21,-0.3 0.844 99.8 44.9 -56.6 -28.9 -24.9 -31.2 -14.8 147 144 A R T X4 S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.3 -1,-0.2 0.715 94.8 73.4 -89.9 -26.3 -24.8 -27.4 -14.6 148 145 A S T 3< S+ 0 0 2 -4,-0.7 -135,-0.5 -3,-0.4 -1,-0.2 0.509 77.4 79.3 -69.1 -5.3 -27.0 -26.6 -17.7 149 146 A I T 3 S+ 0 0 2 -4,-0.5 177,-2.4 -3,-0.4 -1,-0.3 0.805 96.5 56.6 -62.9 -25.3 -30.0 -27.7 -15.7 150 147 A F S < S- 0 0 21 -3,-1.8 2,-0.1 175,-0.3 174,-0.1 -0.690 75.8-135.9-115.0 156.1 -29.7 -24.2 -14.1 151 148 A G + 0 0 12 172,-0.4 19,-0.3 -2,-0.2 172,-0.2 -0.372 69.7 8.1 -95.3 179.2 -29.6 -20.6 -15.3 152 149 A G S S- 0 0 4 170,-3.4 -112,-1.6 -112,-0.4 2,-0.3 -0.116 122.0 -0.4 53.5-143.7 -27.3 -17.8 -14.2 153 150 A F E S+CG 39 170A 1 17,-0.5 17,-3.2 -114,-0.2 2,-0.3 -0.627 74.8 176.6 -75.3 137.2 -24.5 -18.8 -11.9 154 151 A A E -CG 38 169A 0 -116,-2.1 -116,-2.5 -2,-0.3 2,-0.4 -0.982 16.8-152.4-142.2 152.6 -24.3 -22.5 -11.1 155 152 A E E -CG 37 168A 8 13,-2.5 13,-1.6 -2,-0.3 2,-0.8 -0.991 9.2-145.1-131.5 132.2 -22.0 -24.8 -9.1 156 153 A W E -CG 36 167A 0 -120,-1.8 -120,-1.3 -2,-0.4 2,-0.4 -0.850 16.3-148.0 -95.7 111.0 -21.3 -28.4 -9.5 157 154 A E E - 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