==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-APR-07 2YVP . COMPND 2 MOLECULE: MUTT/NUDIX FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.WAKAMATSU,N.NAKAGAWA,S.KURAMITSU,S.YOKOYAMA,R.MASUI,RIKEN . 182 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 2 0 1 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 . 1 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 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 M 0 0 244 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.8 8.9 33.9 95.1 2 2 A S - 0 0 91 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.542 360.0-140.3 -78.8 141.3 11.8 35.1 93.0 3 3 A P S S+ 0 0 103 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.681 87.5 63.4 -73.2 -16.2 15.2 35.2 94.7 4 4 A W S S- 0 0 81 22,-0.1 2,-0.4 23,-0.1 22,-0.2 -0.931 75.5-143.6-115.2 136.1 16.0 38.5 92.8 5 5 A E E -A 25 0A 129 20,-2.4 20,-2.6 -2,-0.4 2,-0.3 -0.798 18.3-121.7-100.4 134.2 14.1 41.7 93.1 6 6 A R E +A 24 0A 141 -2,-0.4 18,-0.2 18,-0.2 3,-0.1 -0.542 32.3 168.7 -73.0 130.8 13.4 44.1 90.2 7 7 A I E S- 0 0 65 16,-3.0 2,-0.3 1,-0.3 17,-0.2 0.752 74.0 -15.2-102.3 -57.9 14.8 47.6 90.7 8 8 A L E -A 23 0A 128 15,-1.6 15,-3.2 2,-0.0 2,-0.6 -0.990 55.7-152.6-151.2 137.5 14.3 48.8 87.1 9 9 A L E -A 22 0A 53 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.953 17.3-169.2-113.2 115.4 13.6 47.0 83.8 10 10 A E E -A 21 0A 106 11,-2.6 11,-2.8 -2,-0.6 2,-0.7 -0.890 19.0-135.0-107.9 133.1 14.8 48.8 80.7 11 11 A E E -A 20 0A 100 -2,-0.5 9,-0.3 9,-0.2 3,-0.1 -0.769 20.5-178.6 -86.4 119.6 13.9 47.8 77.1 12 12 A I E S- 0 0 80 7,-2.5 2,-0.3 -2,-0.7 8,-0.2 0.739 72.0 -0.3 -85.4 -31.0 17.0 47.9 75.0 13 13 A L E -A 19 0A 71 6,-1.6 6,-2.2 1,-0.1 -1,-0.3 -0.967 49.7-171.3-159.1 143.7 15.3 46.9 71.8 14 14 A S + 0 0 55 1,-0.4 -1,-0.1 -2,-0.3 -2,-0.0 0.741 62.3 71.0-109.1 -35.3 11.7 46.1 70.8 15 15 A E S S+ 0 0 133 1,-0.2 -1,-0.4 2,-0.1 4,-0.0 -0.987 100.4 3.3-141.9 151.0 12.1 44.8 67.3 16 16 A P S S+ 0 0 127 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.998 142.9 8.5 -75.6 -6.9 13.1 42.5 65.5 17 17 A V S S- 0 0 63 2,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.997 77.8-126.0-134.3 137.7 13.9 40.9 68.9 18 18 A R + 0 0 87 -2,-0.4 2,-0.4 20,-0.1 -4,-0.2 -0.757 33.8 176.7 -87.5 128.9 12.8 42.2 72.3 19 19 A L E -A 13 0A 41 -6,-2.2 -7,-2.5 -2,-0.5 -6,-1.6 -0.993 7.5-166.5-133.2 137.7 15.8 42.6 74.7 20 20 A V E -AB 11 36A 0 16,-2.9 16,-2.2 -2,-0.4 2,-0.5 -0.873 17.0-152.7-125.4 157.0 15.9 44.0 78.2 21 21 A K E -AB 10 35A 82 -11,-2.8 -11,-2.6 -2,-0.3 2,-0.5 -0.979 24.6-167.9-125.2 111.8 18.5 45.2 80.7 22 22 A E E -AB 9 34A 20 12,-3.2 12,-3.0 -2,-0.5 2,-0.6 -0.896 16.9-149.8-112.7 130.5 17.2 44.7 84.2 23 23 A R E +AB 8 33A 97 -15,-3.2 -16,-3.0 -2,-0.5 -15,-1.6 -0.850 32.2 174.0 -91.9 123.9 18.7 46.1 87.4 24 24 A V E -AB 6 32A 2 8,-2.6 8,-1.9 -2,-0.6 2,-0.6 -0.877 36.7-124.7-127.9 162.1 17.9 43.7 90.2 25 25 A R E -AB 5 31A 89 -20,-2.6 -20,-2.4 -2,-0.3 6,-0.2 -0.953 41.2-148.5-105.5 120.7 18.8 43.3 93.8 26 26 A T > - 0 0 16 4,-2.8 3,-1.9 -2,-0.6 -22,-0.1 -0.046 31.5 -85.5 -82.7-174.5 20.3 39.8 94.2 27 27 A H T 3 S+ 0 0 142 1,-0.3 -1,-0.1 2,-0.1 -23,-0.1 0.634 128.7 56.6 -65.1 -14.7 20.4 37.1 96.9 28 28 A T T 3 S- 0 0 55 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.456 115.1-116.6 -96.3 -2.5 23.5 38.9 98.2 29 29 A G S < S+ 0 0 37 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.410 80.2 116.4 83.2 -4.2 21.6 42.2 98.6 30 30 A R - 0 0 175 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.466 69.1-104.0 -91.5 168.2 23.9 43.8 96.0 31 31 A E E +B 25 0A 88 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.650 36.6 176.1 -95.3 151.6 22.8 45.2 92.7 32 32 A L E -B 24 0A 56 -8,-1.9 -8,-2.6 -2,-0.3 2,-0.6 -0.987 26.4-131.9-149.2 147.0 23.4 43.5 89.3 33 33 A T E -B 23 0A 66 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.922 24.3-168.7-104.3 124.4 22.5 44.3 85.8 34 34 A Y E -B 22 0A 77 -12,-3.0 -12,-3.2 -2,-0.6 2,-0.5 -0.959 4.5-159.2-116.8 127.9 21.0 41.3 83.9 35 35 A V E +B 21 0A 67 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.2 -0.882 28.6 139.0-107.7 130.2 20.5 41.3 80.1 36 36 A Y E -B 20 0A 47 -16,-2.2 -16,-2.9 -2,-0.5 79,-0.2 -0.976 57.3-101.0-161.0 169.9 18.1 38.9 78.5 37 37 A R B -c 115 0B 51 77,-2.4 79,-2.4 -2,-0.3 80,-0.3 -0.913 52.9-136.4 -97.7 112.1 15.4 38.2 76.0 38 38 A P - 0 0 10 0, 0.0 -20,-0.1 0, 0.0 79,-0.1 -0.262 28.0 -90.8 -72.3 158.4 12.2 38.2 78.1 39 39 A G S S+ 0 0 35 1,-0.1 2,-0.1 77,-0.1 78,-0.1 -0.419 82.5 72.7-102.7-179.0 9.3 35.8 78.0 40 40 A P S S+ 0 0 143 0, 0.0 2,-0.3 0, 0.0 77,-0.1 0.418 75.3 126.1 -82.8 136.1 6.9 34.5 77.4 41 41 A V + 0 0 21 75,-0.2 77,-1.5 -4,-0.1 2,-0.3 -0.986 28.2 176.0-151.6 148.0 8.2 33.4 74.0 42 42 A A E -d 118 0C 16 35,-0.4 35,-2.7 -2,-0.3 2,-0.3 -0.971 14.8-160.2-151.2 163.6 8.5 30.0 72.3 43 43 A A E -dE 119 76C 11 75,-1.9 77,-2.8 -2,-0.3 2,-0.4 -0.961 16.7-135.6-143.0 154.0 9.4 28.2 69.1 44 44 A S E -dE 120 75C 0 31,-2.7 31,-2.2 -2,-0.3 2,-0.4 -0.922 11.7-164.0-116.0 142.4 8.5 24.8 67.7 45 45 A F E -dE 121 74C 12 75,-2.4 77,-1.9 -2,-0.4 2,-0.4 -0.984 10.0-166.7-123.6 132.3 11.0 22.3 66.1 46 46 A V E -d 122 0C 0 27,-2.7 77,-0.2 -2,-0.4 -2,-0.0 -0.965 18.4-154.6-134.2 123.3 9.7 19.4 64.1 47 47 A L E -d 123 0C 0 75,-2.8 77,-2.8 -2,-0.4 2,-0.7 -0.829 22.7-155.9 -88.9 109.0 11.5 16.3 62.8 48 48 A P E -d 124 0C 0 0, 0.0 8,-2.5 0, 0.0 2,-0.4 -0.800 11.8-172.4 -92.9 114.3 9.4 15.3 59.7 49 49 A V B -H 55 0D 1 75,-2.9 78,-2.7 -2,-0.7 77,-0.3 -0.874 11.0-143.4-110.3 136.8 9.7 11.6 58.9 50 50 A T > - 0 0 6 4,-2.6 3,-1.5 -2,-0.4 76,-0.1 -0.322 31.1-104.6 -88.6 173.3 8.3 10.1 55.7 51 51 A E T 3 S+ 0 0 121 76,-0.4 -1,-0.1 1,-0.3 77,-0.1 0.646 119.8 64.4 -73.6 -10.8 6.7 6.6 55.4 52 52 A R T 3 S- 0 0 167 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.220 119.9-106.7 -94.1 12.8 9.9 5.6 53.7 53 53 A G S < S+ 0 0 17 -3,-1.5 95,-2.5 1,-0.2 96,-0.4 0.875 80.7 124.6 66.5 33.1 12.0 6.2 56.8 54 54 A T E - I 0 147D 15 93,-0.3 -4,-2.6 94,-0.1 2,-0.4 -0.807 53.1-132.0-116.7 165.3 13.6 9.4 55.5 55 55 A A E -HI 49 146D 0 91,-2.8 91,-2.1 -2,-0.3 2,-0.8 -0.952 6.6-137.3-120.6 143.5 13.6 12.8 57.1 56 56 A L E + I 0 145D 8 -8,-2.5 89,-0.2 -2,-0.4 2,-0.2 -0.863 40.1 165.8 -98.4 107.5 12.8 16.2 55.5 57 57 A L E - I 0 144D 2 87,-1.9 87,-2.5 -2,-0.8 2,-0.3 -0.566 28.6-127.6-115.6 178.0 15.4 18.6 56.8 58 58 A V E -JI 71 143D 0 13,-2.7 13,-3.0 85,-0.3 2,-0.6 -0.946 2.9-148.5-128.6 149.9 16.7 22.1 55.9 59 59 A R E -JI 70 142D 110 83,-2.7 83,-1.6 -2,-0.3 2,-0.4 -0.973 37.9-177.3-113.9 108.9 20.2 23.4 55.3 60 60 A Q E -JI 69 141D 7 9,-2.8 9,-2.9 -2,-0.6 2,-0.4 -0.921 31.6-122.4-123.5 135.9 19.8 26.9 56.6 61 61 A Y E -J 68 0D 74 79,-3.0 2,-0.6 -2,-0.4 79,-0.4 -0.561 24.1-167.8 -71.1 126.9 22.1 30.0 56.7 62 62 A R E >>> -J 67 0D 83 5,-2.8 3,-1.7 -2,-0.4 4,-1.2 -0.879 6.3-159.5-119.1 95.8 22.4 31.1 60.4 63 63 A H G >45S+ 0 0 137 -2,-0.6 3,-0.5 1,-0.3 -1,-0.2 0.797 83.6 59.9 -47.8 -44.3 24.0 34.5 60.2 64 64 A P G 345S+ 0 0 129 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.816 116.0 37.2 -57.4 -28.2 25.4 34.8 63.8 65 65 A T G <45S- 0 0 70 -3,-1.7 -2,-0.2 2,-0.2 3,-0.1 0.593 99.9-134.9 -96.0 -15.8 27.5 31.7 63.0 66 66 A G T <<5 + 0 0 49 -4,-1.2 2,-0.2 -3,-0.5 -3,-0.2 0.498 70.0 108.3 72.2 4.6 28.3 32.5 59.4 67 67 A K E - 0 0 80 -2,-0.6 3,-2.3 4,-0.2 8,-0.1 -0.282 36.8 -69.7 -74.1 166.4 3.0 33.3 67.0 79 79 A E T 3 S+ 0 0 194 1,-0.3 -1,-0.2 -38,-0.0 3,-0.1 -0.285 121.7 4.4 -55.6 130.9 0.8 35.1 69.5 80 80 A G T 3 S+ 0 0 94 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.554 102.0 123.8 71.0 7.5 -2.2 32.9 70.3 81 81 A E < - 0 0 46 -3,-2.3 -1,-0.2 2,-0.0 -4,-0.0 -0.759 60.1-125.4 -99.1 145.2 -0.9 30.0 68.3 82 82 A T > - 0 0 83 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.533 24.6-113.7 -83.6 158.9 -0.3 26.5 70.0 83 83 A P H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.894 117.3 52.2 -59.8 -38.0 3.1 24.9 69.7 84 84 A E H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 109.0 49.7 -65.3 -40.1 1.7 22.1 67.5 85 85 A A H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.869 110.4 50.0 -65.6 -37.6 0.1 24.6 65.1 86 86 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.887 109.2 53.3 -65.2 -38.8 3.4 26.5 64.8 87 87 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.947 112.2 43.3 -61.6 -48.6 5.2 23.3 64.1 88 88 A R H X S+ 0 0 88 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.917 115.4 49.6 -64.4 -40.8 2.8 22.4 61.3 89 89 A R H X S+ 0 0 54 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.929 112.7 45.1 -65.0 -46.0 2.9 26.0 59.9 90 90 A E H X S+ 0 0 8 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.859 110.3 55.4 -67.7 -33.0 6.6 26.2 59.9 91 91 A L H X>S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.3 6,-1.6 0.929 111.9 44.2 -63.6 -42.1 6.9 22.7 58.3 92 92 A R H X5S+ 0 0 107 -4,-2.1 4,-0.8 4,-0.3 -2,-0.2 0.909 117.4 45.2 -69.9 -40.5 4.6 23.9 55.5 93 93 A E H <5S+ 0 0 44 -4,-2.6 41,-2.4 40,-0.2 -2,-0.2 0.939 121.8 33.8 -67.9 -47.7 6.5 27.3 55.1 94 94 A E H <5S+ 0 0 2 -4,-3.0 -3,-0.2 39,-0.2 -2,-0.2 0.831 137.9 15.8 -82.1 -31.4 10.0 26.0 55.2 95 95 A V H <5S- 0 0 4 -4,-1.9 -3,-0.2 -5,-0.4 36,-0.2 0.483 92.9-122.5-118.7 -10.0 9.7 22.6 53.5 96 96 A G << + 0 0 0 -4,-0.8 34,-2.9 -5,-0.7 35,-1.8 0.764 69.1 136.7 70.2 26.0 6.3 22.8 51.8 97 97 A A E -K 129 0E 0 -6,-1.6 2,-0.3 32,-0.3 -1,-0.2 -0.685 41.8-165.7-112.9 159.0 5.3 19.7 53.8 98 98 A E E -K 128 0E 89 30,-2.4 30,-2.4 -2,-0.2 2,-0.3 -0.865 12.3-169.0-128.3 164.5 2.3 18.4 55.8 99 99 A A - 0 0 20 -2,-0.3 27,-0.2 28,-0.2 28,-0.2 -0.919 19.2-133.0-148.0 172.2 2.2 15.4 58.1 100 100 A E S S+ 0 0 107 25,-2.9 -1,-0.2 1,-0.3 26,-0.1 0.632 80.7 21.8 -96.7-106.3 -0.3 13.3 60.0 101 101 A T - 0 0 70 23,-0.1 24,-3.0 1,-0.0 2,-0.5 -0.356 62.1-159.8 -67.8 139.5 0.4 12.6 63.7 102 102 A L E -F 124 0C 13 22,-0.2 22,-0.2 -3,-0.1 -18,-0.0 -0.986 6.6-156.2-117.4 119.4 2.7 14.9 65.6 103 103 A I E -F 123 0C 28 20,-3.1 20,-2.2 -2,-0.5 2,-0.2 -0.856 17.7-131.5 -95.4 119.6 4.2 13.3 68.7 104 104 A P E -F 122 0C 92 0, 0.0 18,-0.2 0, 0.0 3,-0.0 -0.535 23.5-163.5 -73.3 139.5 5.2 16.0 71.2 105 105 A L - 0 0 13 16,-2.8 63,-0.1 -2,-0.2 67,-0.0 -0.670 40.3 -60.4-113.2 169.2 8.7 15.5 72.7 106 106 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 -0.252 53.6-130.5 -56.6 127.5 10.2 17.1 75.9 107 107 A S - 0 0 63 13,-0.1 2,-0.3 -3,-0.0 13,-0.2 -0.344 30.1-175.0 -74.8 160.6 10.4 20.9 75.8 108 108 A F B -G 119 0C 26 11,-2.0 11,-3.4 -2,-0.0 56,-0.0 -0.992 31.8-119.2-155.7 156.2 13.6 22.6 76.6 109 109 A H - 0 0 103 -2,-0.3 9,-0.2 9,-0.2 8,-0.1 -0.904 22.0-158.8 -96.2 115.2 15.2 26.0 77.2 110 110 A P S S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.863 85.3 2.8 -63.9 -36.0 18.1 26.4 74.6 111 111 A Q >> + 0 0 106 6,-0.3 4,-2.7 4,-0.2 3,-2.2 -0.462 65.3 174.4-152.1 75.0 19.9 29.0 76.6 112 112 A P T 34 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.667 76.7 68.7 -59.0 -17.9 18.3 29.8 80.0 113 113 A S T 34 S+ 0 0 68 1,-0.1 3,-0.1 -77,-0.0 -2,-0.0 0.762 120.5 15.3 -70.9 -20.8 21.2 32.1 81.0 114 114 A F T <4 S+ 0 0 80 -3,-2.2 -77,-2.4 1,-0.3 2,-0.4 0.686 122.9 41.4-125.1 -27.2 20.1 34.6 78.3 115 115 A T B < -c 37 0B 21 -4,-2.7 -1,-0.3 -79,-0.2 -4,-0.2 -0.971 50.1-150.0-136.1 143.5 16.6 33.9 77.1 116 116 A A + 0 0 40 -79,-2.4 -75,-0.2 -2,-0.4 -1,-0.1 0.587 58.5 130.9 -76.4 -11.8 13.3 32.9 78.5 117 117 A V - 0 0 16 -80,-0.3 2,-0.5 -6,-0.1 -6,-0.3 -0.060 44.9-153.9 -51.9 139.8 12.4 31.0 75.2 118 118 A V E -d 42 0C 40 -77,-1.5 -75,-1.9 -9,-0.2 2,-0.5 -0.955 7.9-148.0-113.3 131.0 11.0 27.5 75.4 119 119 A F E -dG 43 108C 33 -11,-3.4 -11,-2.0 -2,-0.5 -75,-0.2 -0.884 5.7-155.1-101.6 134.8 11.6 25.2 72.4 120 120 A H E -d 44 0C 39 -77,-2.8 -75,-2.4 -2,-0.5 2,-0.2 -0.905 10.1-159.7-113.1 106.4 8.9 22.6 71.7 121 121 A P E -d 45 0C 1 0, 0.0 -16,-2.8 0, 0.0 2,-0.3 -0.580 10.9-178.6 -86.6 148.2 10.1 19.6 69.7 122 122 A F E -dF 46 104C 15 -77,-1.9 -75,-2.8 -18,-0.2 2,-0.6 -0.975 25.8-140.1-141.3 152.4 7.9 17.3 67.8 123 123 A L E -dF 47 103C 0 -20,-2.2 -20,-3.1 -2,-0.3 2,-0.5 -0.981 25.2-157.8-112.6 115.9 8.2 14.1 65.7 124 124 A A E -dF 48 102C 0 -77,-2.8 -75,-2.9 -2,-0.6 3,-0.4 -0.857 7.1-152.1 -99.2 128.1 5.9 14.4 62.7 125 125 A L + 0 0 27 -24,-3.0 -25,-2.9 -2,-0.5 -75,-0.1 -0.674 69.3 18.2-102.6 156.2 4.8 11.1 61.0 126 126 A K S S- 0 0 85 -77,-0.3 -76,-0.2 -2,-0.2 -1,-0.2 0.876 81.9-177.1 54.7 43.8 3.8 10.5 57.3 127 127 A A + 0 0 5 -78,-2.7 -76,-0.4 -3,-0.4 2,-0.3 -0.440 5.5 170.9 -71.2 145.0 5.5 13.7 56.3 128 128 A R E -K 98 0E 133 -30,-2.4 -30,-2.4 -2,-0.1 2,-0.4 -0.984 36.2-114.1-157.6 142.8 5.1 14.6 52.6 129 129 A V E +K 97 0E 89 -2,-0.3 -32,-0.3 -32,-0.2 -33,-0.1 -0.658 40.7 157.3 -79.6 132.1 5.8 17.6 50.4 130 130 A V + 0 0 66 -34,-2.9 -33,-0.2 -2,-0.4 -1,-0.1 0.447 59.0 17.1-132.4 -9.0 2.6 19.0 49.0 131 131 A T S S- 0 0 49 -35,-1.8 -1,-0.3 -36,-0.2 3,-0.1 -0.956 85.9 -81.1-158.5 166.8 3.4 22.6 48.0 132 132 A P - 0 0 93 0, 0.0 -36,-0.2 0, 0.0 -37,-0.1 -0.473 56.6 -99.0 -74.1 153.6 6.3 25.0 47.3 133 133 A P - 0 0 64 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.294 25.7-149.9 -66.8 160.3 8.0 26.5 50.4 134 134 A T - 0 0 102 -41,-2.4 2,-0.2 -42,-0.2 -39,-0.1 -0.794 22.7-170.6-132.1 85.9 7.0 30.1 51.4 135 135 A L - 0 0 60 -2,-0.4 2,-0.1 -41,-0.1 -41,-0.1 -0.508 18.7-121.3 -85.5 147.6 10.1 31.6 53.0 136 136 A E > - 0 0 118 -2,-0.2 3,-2.2 1,-0.1 2,-0.5 -0.359 37.5 -94.5 -77.7 161.6 10.2 34.8 54.9 137 137 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.685 123.4 39.6 -72.1 128.2 12.5 37.6 53.9 138 138 A G T 3 S+ 0 0 87 -2,-0.5 2,-0.7 1,-0.2 -1,-0.3 0.257 91.5 105.4 111.7 -14.3 15.4 36.7 56.1 139 139 A E < + 0 0 31 -3,-2.2 2,-0.6 2,-0.1 -1,-0.2 -0.900 41.3 176.0-104.2 115.0 15.1 33.0 55.7 140 140 A L + 0 0 98 -2,-0.7 -79,-3.0 -79,-0.4 2,-0.3 -0.916 30.4 118.9-119.5 103.1 17.8 31.5 53.5 141 141 A L E -I 60 0D 17 -2,-0.6 2,-0.3 -81,-0.2 -81,-0.2 -0.985 44.7-147.2-158.1 166.1 17.5 27.8 53.3 142 142 A E E -I 59 0D 154 -83,-1.6 -83,-2.7 -2,-0.3 2,-0.2 -0.981 23.3-128.6-136.0 145.4 16.9 24.8 51.1 143 143 A S E +I 58 0D 55 -2,-0.3 2,-0.3 -85,-0.2 -85,-0.3 -0.606 28.3 177.8 -95.1 157.1 15.1 21.6 52.1 144 144 A L E -I 57 0D 54 -87,-2.5 -87,-1.9 -2,-0.2 2,-0.4 -0.938 23.3-127.8-147.1 172.0 16.6 18.1 51.6 145 145 A E E +I 56 0D 84 -2,-0.3 -89,-0.2 -89,-0.2 -2,-0.0 -0.992 25.8 174.9-129.4 128.9 15.8 14.5 52.2 146 146 A L E -I 55 0D 31 -91,-2.1 -91,-2.8 -2,-0.4 -2,-0.0 -0.987 37.1-105.5-133.7 144.0 18.0 12.0 54.0 147 147 A P E >> -I 54 0D 48 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.381 32.6-123.1 -62.9 144.0 17.6 8.5 55.1 148 148 A L H 3> S+ 0 0 2 -95,-2.5 4,-2.8 1,-0.2 5,-0.3 0.871 111.7 60.9 -56.7 -35.8 17.1 8.3 58.8 149 149 A T H 3> S+ 0 0 98 -96,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.916 107.0 45.4 -59.0 -38.9 20.1 5.9 59.1 150 150 A E H <> S+ 0 0 106 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.900 111.1 52.3 -70.4 -40.8 22.3 8.7 57.6 151 151 A V H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.924 112.3 45.0 -62.6 -42.9 20.8 11.4 59.9 152 152 A Y H X S+ 0 0 19 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.770 109.1 55.8 -74.7 -21.2 21.5 9.3 62.9 153 153 A A H X S+ 0 0 39 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.899 107.7 49.9 -72.0 -39.7 25.0 8.4 61.7 154 154 A L H <>S+ 0 0 42 -4,-2.3 5,-2.6 2,-0.2 6,-0.5 0.904 110.7 50.4 -62.0 -40.0 25.7 12.1 61.5 155 155 A L H ><5S+ 0 0 15 -4,-1.9 3,-1.6 1,-0.2 5,-0.2 0.953 110.8 47.5 -63.0 -48.8 24.3 12.5 65.0 156 156 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.837 108.9 54.9 -62.6 -34.6 26.5 9.8 66.4 157 157 A K T 3<5S- 0 0 144 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.481 115.9-115.5 -77.1 -4.6 29.6 11.2 64.6 158 158 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.708 78.6 127.2 77.7 22.4 28.9 14.5 66.3 159 159 A E < + 0 0 113 -5,-2.6 2,-1.0 -6,-0.2 -4,-0.2 0.482 39.3 93.3 -91.8 -3.5 28.2 16.3 63.1 160 160 A I + 0 0 17 -6,-0.5 6,-0.1 -5,-0.2 -89,-0.1 -0.795 50.4 177.5 -91.4 105.1 24.8 17.9 63.9 161 161 A Q + 0 0 123 -2,-1.0 2,-0.6 -91,-0.1 -1,-0.2 0.748 52.0 89.2 -84.2 -25.6 25.9 21.3 65.2 162 162 A D > - 0 0 30 -92,-0.5 4,-2.5 1,-0.2 5,-0.2 -0.650 67.9-151.4 -75.3 118.1 22.5 22.8 65.9 163 163 A A H > S+ 0 0 74 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.894 91.8 51.0 -56.2 -46.0 21.7 21.9 69.5 164 164 A S H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 111.3 47.8 -63.7 -38.2 17.9 21.9 69.1 165 165 A T H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 112.7 49.4 -66.4 -45.4 18.1 19.6 66.1 166 166 A A H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.936 113.6 45.4 -59.4 -46.7 20.4 17.3 67.9 167 167 A L H X S+ 0 0 56 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.879 110.3 53.3 -66.3 -40.6 18.2 17.1 71.0 168 168 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.932 109.9 50.0 -59.1 -43.7 15.1 16.6 68.9 169 169 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.924 110.4 49.2 -62.0 -43.7 16.8 13.7 67.2 170 170 A F H < S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.931 114.5 44.3 -62.2 -43.7 17.8 12.1 70.5 171 171 A Y H < S+ 0 0 84 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.846 114.3 50.9 -68.4 -32.1 14.3 12.4 71.9 172 172 A A H >X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 3,-0.6 0.815 89.8 82.8 -74.0 -29.2 12.8 11.1 68.7 173 173 A E H 3X S+ 0 0 50 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.852 88.2 47.9 -47.6 -52.6 14.9 8.1 68.4 174 174 A P H 3> S+ 0 0 82 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.895 113.2 49.9 -60.1 -36.8 13.1 5.7 70.8 175 175 A H H <> S+ 0 0 48 -3,-0.6 4,-2.6 -4,-0.5 6,-0.2 0.893 109.7 51.1 -64.8 -43.1 9.7 6.6 69.1 176 176 A L H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 6,-1.1 0.901 112.0 46.3 -63.0 -39.5 11.2 5.9 65.6 177 177 A K H ><5S+ 0 0 117 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.920 112.7 50.9 -68.3 -39.8 12.5 2.5 66.7 178 178 A R H 3<5S+ 0 0 156 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.898 111.4 47.4 -62.6 -41.9 9.2 1.7 68.3 179 179 A L H 3<5S- 0 0 68 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.559 115.5-115.9 -78.3 -9.8 7.3 2.6 65.2 180 180 A G T <<5S+ 0 0 63 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.631 85.2 115.6 84.8 16.0 9.7 0.6 63.0 181 181 A L < 0 0 44 -5,-2.3 -4,-0.2 -6,-0.2 -33,-0.2 0.564 360.0 360.0 -92.0 -8.9 11.0 3.6 61.1 182 182 A L 0 0 74 -6,-1.1 -2,-0.2 -7,-0.1 -1,-0.1 -0.977 360.0 360.0-146.7 360.0 14.5 3.2 62.5