==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAR-04 1SOI . COMPND 2 MOLECULE: MUTT/NUDIX FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR W.RANATUNGA,E.E.HILL,J.L.MOOSTER,E.L.HOLBROOK,U.SCHULZE- . 156 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 19.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 12 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 1 0 0 0 0 1 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 2 A E 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.3 -2.6 -20.0 36.3 2 3 A H + 0 0 178 2,-0.0 2,-0.2 0, 0.0 0, 0.0 0.359 360.0 122.1 -74.7 7.6 -2.1 -21.8 39.6 3 4 A D S S- 0 0 109 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.516 72.3-104.3 -75.0 137.7 0.8 -23.6 37.9 4 5 A E + 0 0 187 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.313 48.9 162.3 -62.9 138.8 4.1 -23.4 39.6 5 6 A R - 0 0 135 -2,-0.0 2,-0.2 0, 0.0 -1,-0.0 -0.969 31.1-121.7-152.0 160.5 6.7 -21.0 38.1 6 7 A T - 0 0 122 -2,-0.3 2,-0.3 1,-0.0 0, 0.0 -0.671 32.1-103.1-104.3 163.5 9.9 -19.3 39.1 7 8 A H - 0 0 159 -2,-0.2 -1,-0.0 1,-0.0 0, 0.0 -0.676 22.4-155.8 -87.7 136.8 10.7 -15.6 39.1 8 9 A V - 0 0 90 -2,-0.3 2,-0.0 2,-0.0 -1,-0.0 -0.902 21.6-137.4-112.7 98.6 12.8 -14.2 36.3 9 10 A P - 0 0 79 0, 0.0 2,-0.6 0, 0.0 81,-0.2 -0.310 11.2-156.2 -59.3 134.6 14.4 -11.0 37.6 10 11 A V - 0 0 34 1,-0.1 81,-0.1 79,-0.1 79,-0.1 -0.967 6.1-170.1-114.1 114.6 14.4 -8.0 35.2 11 12 A E + 0 0 101 -2,-0.6 2,-0.3 79,-0.4 80,-0.2 0.821 65.9 35.7 -75.5 -34.0 17.2 -5.6 36.2 12 13 A L E -a 91 0A 83 78,-2.2 80,-2.5 40,-0.0 2,-0.4 -0.930 58.8-169.2-127.8 148.6 16.3 -2.7 33.9 13 14 A R E -a 92 0A 100 37,-0.5 37,-2.8 -2,-0.3 2,-0.3 -0.990 2.6-170.5-134.3 142.0 13.1 -1.1 32.6 14 15 A A E -aB 93 49A 6 78,-2.2 80,-2.2 -2,-0.4 2,-0.4 -0.945 5.4-160.3-128.6 151.2 12.6 1.5 29.9 15 16 A A E +aB 94 48A 0 33,-2.8 33,-1.5 -2,-0.3 2,-0.3 -0.997 18.7 154.6-137.9 133.3 9.4 3.4 29.0 16 17 A G E -aB 95 47A 0 78,-2.7 80,-1.9 -2,-0.4 2,-0.3 -0.868 26.2-125.1-145.8 179.0 8.5 5.2 25.8 17 18 A V E -a 96 0A 0 29,-2.0 2,-0.8 -2,-0.3 80,-0.2 -0.941 11.5-140.6-134.8 154.7 5.6 6.3 23.6 18 19 A V E -a 97 0A 1 78,-2.9 80,-2.5 -2,-0.3 2,-0.5 -0.960 35.8-171.6-108.8 103.8 4.3 6.1 20.1 19 20 A L E -a 98 0A 0 -2,-0.8 8,-2.1 8,-0.4 2,-0.3 -0.908 4.7-174.2-104.7 121.4 3.1 9.7 19.7 20 21 A L B -D 26 0B 10 78,-1.2 6,-0.2 -2,-0.5 2,-0.1 -0.876 12.6-143.6-115.2 148.3 1.0 10.5 16.6 21 22 A N > - 0 0 24 4,-1.6 3,-1.7 -2,-0.3 6,-0.0 -0.312 46.4 -78.5 -95.0-172.9 -0.2 13.9 15.5 22 23 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.693 131.6 50.4 -61.6 -19.4 -3.5 14.7 13.8 23 24 A R T 3 S- 0 0 180 2,-0.1 -1,-0.3 129,-0.0 3,-0.1 0.462 118.7-106.5 -97.6 -2.9 -2.1 13.4 10.5 24 25 A G < + 0 0 2 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.555 68.2 150.4 90.1 6.4 -0.8 10.2 11.8 25 26 A D - 0 0 16 96,-0.1 -4,-1.6 1,-0.1 2,-0.4 -0.462 41.0-130.4 -70.9 147.7 2.8 11.3 11.6 26 27 A I E -DE 20 120B 0 94,-2.6 94,-2.5 -6,-0.2 2,-0.5 -0.831 7.6-128.4-106.8 140.1 5.0 9.6 14.3 27 28 A L E + E 0 119B 0 -8,-2.1 -8,-0.4 -2,-0.4 2,-0.3 -0.745 35.5 176.1 -86.3 121.5 7.4 11.4 16.6 28 29 A L E - E 0 118B 0 90,-2.8 90,-2.5 -2,-0.5 2,-0.4 -0.897 23.6-140.0-127.3 157.2 10.9 9.8 16.5 29 30 A V E -FE 44 117B 0 15,-3.5 15,-2.6 -2,-0.3 2,-0.4 -0.930 17.8-140.7-115.6 138.3 14.3 10.6 18.1 30 31 A Q E -FE 43 116B 22 86,-3.2 85,-2.7 -2,-0.4 86,-1.0 -0.857 11.6-129.9-107.0 134.7 17.5 10.3 16.3 31 32 A E E - E 0 114B 36 11,-2.9 2,-1.3 -2,-0.4 10,-0.5 -0.341 33.4-102.5 -72.1 157.7 20.8 9.0 17.7 32 33 A K S S- 0 0 103 81,-0.8 -1,-0.1 80,-0.2 82,-0.1 -0.674 75.8 -53.0 -88.3 92.0 24.0 11.0 17.3 33 34 A G 0 0 36 -2,-1.3 9,-0.4 9,-0.1 7,-0.2 -0.009 360.0 360.0 71.0-179.7 25.8 9.2 14.5 34 35 A I 0 0 96 5,-0.5 7,-0.1 2,-0.4 -2,-0.1 0.515 360.0 360.0-122.1 360.0 26.8 5.5 14.3 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 38 A H > 0 0 148 0, 0.0 3,-1.7 0, 0.0 -2,-0.4 0.000 360.0 360.0 360.0 152.4 31.4 4.7 10.0 37 39 A P T 3 + 0 0 140 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.535 360.0 72.5 -61.2 -7.3 31.4 8.5 10.5 38 40 A E T 3 S+ 0 0 171 2,-0.1 2,-0.2 -5,-0.0 -5,-0.0 0.676 83.1 80.2 -84.7 -18.9 29.6 8.9 7.1 39 41 A K S < S- 0 0 103 -3,-1.7 -5,-0.5 1,-0.1 2,-0.1 -0.610 76.4-119.5 -96.7 152.4 26.2 7.6 8.3 40 42 A A - 0 0 56 -2,-0.2 -8,-0.1 -7,-0.2 -1,-0.1 -0.472 40.5 -94.0 -80.9 155.1 23.4 9.3 10.2 41 43 A G - 0 0 2 -10,-0.5 -7,-0.2 -2,-0.1 -1,-0.1 -0.234 44.2-104.3 -65.9 159.1 22.2 8.0 13.5 42 44 A L - 0 0 22 -9,-0.4 -11,-2.9 -12,-0.1 2,-0.3 -0.319 33.3-115.4 -79.9 167.0 19.3 5.5 13.7 43 45 A W E +Fg 30 134B 27 90,-2.7 92,-2.2 -13,-0.2 93,-0.5 -0.815 34.6 165.9-109.1 147.4 15.8 6.5 14.8 44 46 A H E -F 29 0B 32 -15,-2.6 -15,-3.5 -2,-0.3 3,-0.1 -0.929 40.0 -85.9-148.5 168.2 13.8 5.3 17.9 45 47 A I - 0 0 4 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.422 57.0 -87.8 -77.3 156.6 10.7 6.3 19.8 46 48 A P S S+ 0 0 0 0, 0.0 -29,-2.0 0, 0.0 2,-0.3 -0.502 76.2 138.6 -63.3 122.3 11.0 8.9 22.6 47 49 A S E +B 16 0A 8 -2,-0.3 2,-0.3 16,-0.3 -31,-0.2 -0.958 25.9 173.6-159.1 171.2 11.9 6.7 25.6 48 50 A G E -B 15 0A 14 -33,-1.5 -33,-2.8 -2,-0.3 15,-0.1 -0.984 40.4 -57.6-172.1 175.7 14.1 6.5 28.7 49 51 A A E -B 14 0A 58 -2,-0.3 2,-0.5 -35,-0.2 -35,-0.3 -0.372 40.5-136.6 -72.1 143.8 14.9 4.6 31.8 50 52 A V - 0 0 15 -37,-2.8 -37,-0.5 -2,-0.1 2,-0.1 -0.868 26.2-119.9 -97.9 129.2 12.4 3.9 34.5 51 53 A E > - 0 0 116 -2,-0.5 3,-2.3 4,-0.1 2,-0.1 -0.437 40.2 -90.5 -69.5 144.6 13.7 4.4 38.0 52 54 A D T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.354 113.0 10.7 -57.8 123.2 13.6 1.4 40.2 53 55 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.280 102.1 115.9 92.2 -11.8 10.3 1.3 42.0 54 56 A E S < S- 0 0 54 -3,-2.3 -1,-0.3 1,-0.1 -4,-0.0 -0.543 76.6 -90.4 -92.9 160.3 8.6 4.1 40.0 55 57 A N > - 0 0 83 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.514 27.8-147.1 -70.3 123.0 5.6 3.8 37.8 56 58 A P H > S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.793 96.6 56.5 -59.7 -32.7 6.6 3.0 34.1 57 59 A Q H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.911 108.3 45.6 -69.4 -41.1 3.7 5.0 32.7 58 60 A D H > S+ 0 0 99 1,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.880 111.3 54.6 -67.9 -35.4 4.7 8.2 34.5 59 61 A A H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.879 102.3 57.1 -64.0 -38.4 8.3 7.5 33.4 60 62 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.907 108.3 47.3 -59.3 -41.9 7.2 7.3 29.8 61 63 A V H X S+ 0 0 42 -4,-1.4 4,-1.7 2,-0.2 11,-0.3 0.936 115.6 44.1 -65.0 -48.1 5.7 10.8 30.1 62 64 A R H X S+ 0 0 78 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.946 114.6 47.2 -63.4 -50.7 8.7 12.3 31.7 63 65 A E H X S+ 0 0 25 -4,-3.2 4,-1.7 1,-0.2 -16,-0.3 0.848 109.2 54.7 -62.4 -35.4 11.3 10.7 29.4 64 66 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 6,-0.5 0.920 110.4 46.5 -63.5 -43.1 9.4 11.6 26.3 65 67 A C H X S+ 0 0 26 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.884 108.0 56.8 -66.5 -38.2 9.4 15.3 27.4 66 68 A E H < S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.1 36.4 -61.5 -37.9 13.1 15.1 28.2 67 69 A E H < S+ 0 0 29 -4,-1.7 42,-1.9 -5,-0.1 -2,-0.2 0.836 133.3 22.0 -85.7 -33.8 14.0 14.0 24.7 68 70 A T H < S- 0 0 0 -4,-2.2 39,-1.8 40,-0.2 -3,-0.2 0.571 91.1-125.4-111.6 -13.2 11.6 16.0 22.6 69 71 A G S < S+ 0 0 26 -4,-2.4 2,-0.4 -5,-0.4 -4,-0.2 0.522 70.4 127.8 78.1 4.7 10.5 18.9 24.9 70 72 A L - 0 0 6 -6,-0.5 2,-0.6 34,-0.1 -1,-0.3 -0.796 59.0-135.8-100.9 136.2 6.9 17.9 24.3 71 73 A R - 0 0 127 -2,-0.4 30,-2.5 30,-0.1 2,-0.3 -0.778 33.4-170.1 -86.3 123.3 4.4 17.3 27.1 72 74 A V E -C 100 0A 7 -2,-0.6 -7,-0.1 -11,-0.3 -8,-0.0 -0.819 21.2-145.1-119.6 158.4 2.5 14.1 26.3 73 75 A R E -C 99 0A 106 26,-2.7 26,-2.2 -2,-0.3 2,-0.2 -0.974 21.2-132.3-121.0 118.5 -0.5 12.2 27.6 74 76 A P E +C 98 0A 38 0, 0.0 24,-0.3 0, 0.0 3,-0.1 -0.532 26.6 176.0 -70.9 134.1 -0.6 8.4 27.6 75 77 A V E - 0 0 75 22,-2.9 2,-0.3 1,-0.4 23,-0.2 0.707 61.2 -3.7-108.9 -30.7 -3.9 7.2 26.2 76 78 A K E -C 97 0A 97 21,-1.4 21,-3.5 0, 0.0 -1,-0.4 -0.947 66.8-110.9-166.1 141.7 -3.4 3.4 26.1 77 79 A F E -C 96 0A 98 -2,-0.3 19,-0.2 19,-0.2 3,-0.1 -0.560 28.4-178.4 -73.6 135.0 -0.8 0.7 26.8 78 80 A L E - 0 0 30 17,-2.8 2,-0.3 1,-0.3 18,-0.2 0.792 49.6 -63.3-103.8 -40.7 0.4 -0.9 23.6 79 81 A G E -C 95 0A 11 16,-1.7 16,-2.6 2,-0.0 2,-0.3 -0.944 31.7-124.8 168.7 170.9 2.9 -3.5 24.8 80 82 A A E -C 94 0A 48 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.985 22.9-173.6-138.3 145.9 6.1 -4.6 26.5 81 83 A Y E -C 93 0A 34 12,-1.9 12,-2.5 -2,-0.3 2,-0.4 -0.977 18.4-120.5-143.2 158.3 9.0 -6.7 25.3 82 84 A L E +C 92 0A 94 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.811 23.4 176.7-107.8 136.8 12.2 -8.2 26.6 83 85 A G E -C 91 0A 29 8,-2.3 8,-2.4 -2,-0.4 2,-0.4 -0.911 15.7-146.8-129.7 157.4 15.8 -7.8 25.6 84 86 A R E -C 90 0A 163 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.990 11.5-139.5-130.2 128.2 19.1 -9.2 27.0 85 87 A F > - 0 0 92 4,-3.1 3,-2.8 -2,-0.4 6,-0.0 -0.399 37.0 -98.2 -78.6 161.3 22.4 -7.4 27.0 86 88 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.830 123.8 55.3 -47.9 -36.2 25.6 -9.3 26.3 87 89 A D T 3 S- 0 0 128 2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.471 124.2 -99.8 -79.5 -1.0 26.3 -9.6 30.0 88 90 A G S < S+ 0 0 24 -3,-2.8 2,-0.2 1,-0.3 -1,-0.1 0.277 73.4 144.9 103.0 -11.0 23.0 -11.2 30.7 89 91 A V - 0 0 33 -5,-0.1 -4,-3.1 -79,-0.1 2,-0.3 -0.433 40.2-141.8 -66.1 130.4 21.2 -8.2 32.0 90 92 A L E - C 0 84A 6 -6,-0.2 -78,-2.2 -81,-0.2 -79,-0.4 -0.748 14.5-168.0 -95.6 141.2 17.5 -8.1 31.1 91 93 A I E -aC 12 83A 30 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.6 -0.997 8.4-154.5-130.2 128.4 15.6 -4.9 30.1 92 94 A L E -aC 13 82A 35 -80,-2.5 -78,-2.2 -2,-0.4 2,-0.4 -0.915 12.4-157.1-104.8 114.9 11.9 -4.7 29.8 93 95 A R E -aC 14 81A 35 -12,-2.5 -12,-1.9 -2,-0.6 2,-0.4 -0.776 4.5-159.7 -95.4 135.0 10.7 -2.0 27.4 94 96 A H E -aC 15 80A 20 -80,-2.2 -78,-2.7 -2,-0.4 2,-0.4 -0.927 4.3-165.0-115.5 137.6 7.2 -0.5 27.8 95 97 A V E -aC 16 79A 2 -16,-2.6 -17,-2.8 -2,-0.4 -16,-1.7 -0.983 4.9-174.9-129.8 130.1 5.3 1.3 25.0 96 98 A W E -aC 17 77A 15 -80,-1.9 -78,-2.9 -2,-0.4 2,-0.4 -0.876 29.3-121.1-118.7 150.8 2.2 3.5 25.3 97 99 A L E -aC 18 76A 6 -21,-3.5 -22,-2.9 -2,-0.3 -21,-1.4 -0.749 45.3-173.1 -83.6 136.1 0.1 5.2 22.6 98 100 A A E -aC 19 74A 2 -80,-2.5 -78,-1.2 -2,-0.4 -26,-0.0 -0.939 25.0-146.0-137.0 160.4 0.3 8.9 23.4 99 101 A E E - C 0 73A 57 -26,-2.2 -26,-2.7 -2,-0.3 2,-0.2 -0.963 25.6-123.5-121.6 138.0 -1.2 12.3 22.4 100 102 A P E - C 0 72A 34 0, 0.0 -28,-0.2 0, 0.0 3,-0.1 -0.583 30.5-109.5 -81.8 144.6 0.7 15.5 22.5 101 103 A E - 0 0 86 -30,-2.5 3,-0.4 -2,-0.2 -30,-0.1 -0.446 48.0 -96.2 -67.3 147.9 -0.8 18.4 24.5 102 104 A P S S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.183 97.9 29.4 -66.0 157.4 -2.1 21.1 22.2 103 105 A G S S+ 0 0 90 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.800 83.6 141.2 66.4 36.1 -0.1 24.3 21.3 104 106 A Q - 0 0 62 -3,-0.4 2,-0.4 -33,-0.1 -1,-0.2 -0.824 41.6-146.1-114.3 150.7 3.4 22.9 21.5 105 107 A T - 0 0 124 -2,-0.3 2,-0.2 -36,-0.2 0, 0.0 -0.933 29.9-112.3-112.7 131.7 6.5 23.4 19.5 106 108 A L + 0 0 51 -2,-0.4 -37,-0.2 1,-0.1 -38,-0.0 -0.439 41.0 168.5 -64.4 125.5 9.0 20.6 19.0 107 109 A A - 0 0 63 -39,-1.8 -1,-0.1 -2,-0.2 11,-0.1 -0.658 18.8-157.3-142.8 79.9 12.3 21.5 20.8 108 110 A P - 0 0 25 0, 0.0 2,-0.9 0, 0.0 -40,-0.2 -0.120 19.8-119.0 -57.3 151.5 14.6 18.4 21.0 109 111 A A - 0 0 37 -42,-1.9 2,-0.6 -43,-0.1 5,-0.1 -0.843 26.6-147.4 -97.4 105.2 17.3 18.1 23.6 110 112 A F + 0 0 139 -2,-0.9 2,-0.2 5,-0.1 5,-0.2 -0.629 35.6 147.9 -77.9 118.2 20.6 17.9 21.8 111 113 A T - 0 0 61 3,-1.8 -2,-0.0 -2,-0.6 0, 0.0 -0.723 66.6 -83.6-135.8-174.6 23.1 15.7 23.7 112 114 A D S S+ 0 0 148 -2,-0.2 -80,-0.2 1,-0.2 3,-0.1 0.624 133.2 36.8 -70.5 -9.9 25.9 13.3 23.1 113 115 A E S S+ 0 0 149 1,-0.2 -81,-0.8 -82,-0.1 2,-0.5 0.619 112.5 58.9-113.5 -22.0 23.2 10.7 22.5 114 116 A I E +E 31 0B 11 -83,-0.2 -3,-1.8 1,-0.1 -83,-0.2 -0.950 46.1 177.9-119.6 120.0 20.5 12.7 20.8 115 117 A A E - 0 0 23 -85,-2.7 2,-0.3 -2,-0.5 -84,-0.2 0.865 67.8 -56.4 -81.6 -41.0 21.0 14.4 17.5 116 118 A E E -E 30 0B 88 -86,-1.0 -86,-3.2 -7,-0.1 -1,-0.3 -0.968 45.7-124.2 179.6-176.3 17.4 15.7 17.2 117 119 A A E +E 29 0B 5 -2,-0.3 2,-0.3 -88,-0.3 -88,-0.2 -0.973 30.2 156.5-147.7 154.9 13.8 14.6 17.1 118 120 A S E -E 28 0B 31 -90,-2.5 -90,-2.8 -2,-0.3 2,-0.4 -0.987 42.7 -90.1-172.4 166.0 10.9 15.1 14.7 119 121 A F E -E 27 0B 68 -2,-0.3 2,-0.4 -92,-0.2 -92,-0.2 -0.730 38.5-165.7 -87.6 134.3 7.6 14.0 13.2 120 122 A V E -E 26 0B 18 -94,-2.5 -94,-2.6 -2,-0.4 -2,-0.0 -0.977 18.4-120.4-123.6 134.5 7.9 11.6 10.3 121 123 A S > - 0 0 27 -2,-0.4 4,-2.3 -96,-0.2 5,-0.2 -0.219 26.1-109.7 -70.1 164.2 5.0 10.8 7.9 122 124 A R H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.912 119.1 49.2 -58.3 -45.9 3.7 7.3 7.4 123 125 A E H > S+ 0 0 95 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.896 113.1 45.6 -63.1 -43.0 5.2 7.1 3.9 124 126 A D H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.827 108.6 56.5 -72.2 -29.8 8.6 8.3 5.0 125 127 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.921 104.1 54.1 -65.2 -42.1 8.6 6.0 8.0 126 128 A A H X S+ 0 0 21 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.861 110.6 47.0 -58.5 -36.7 8.1 3.1 5.6 127 129 A Q H X S+ 0 0 134 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.931 111.5 49.2 -71.0 -47.2 11.1 4.2 3.6 128 130 A L H <>S+ 0 0 40 -4,-2.7 5,-3.0 2,-0.2 6,-0.4 0.886 112.3 49.6 -58.4 -40.9 13.2 4.6 6.8 129 131 A Y H ><5S+ 0 0 82 -4,-3.0 3,-1.9 1,-0.2 5,-0.3 0.953 111.0 47.3 -64.0 -50.8 12.2 1.2 7.9 130 132 A A H 3<5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 109.8 55.4 -60.9 -29.9 13.1 -0.5 4.6 131 133 A A T 3<5S- 0 0 62 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.400 117.3-113.4 -84.8 3.6 16.4 1.4 4.5 132 134 A G T < 5S+ 0 0 49 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.816 79.0 127.3 70.3 33.2 17.3 -0.1 7.9 133 135 A Q < + 0 0 60 -5,-3.0 -90,-2.7 -6,-0.1 2,-0.7 0.380 42.8 90.8-102.5 3.1 17.2 3.3 9.7 134 136 A I B -g 43 0B 14 -6,-0.4 -90,-0.2 -5,-0.3 6,-0.1 -0.892 67.3-150.6-101.3 113.2 14.8 2.3 12.6 135 137 A R S S+ 0 0 120 -92,-2.2 2,-0.5 -2,-0.7 -1,-0.2 0.902 83.0 32.2 -48.4 -54.1 16.9 1.0 15.5 136 138 A M > - 0 0 53 -93,-0.5 3,-2.2 1,-0.1 4,-0.4 -0.935 68.7-149.9-113.4 121.8 14.3 -1.4 16.9 137 139 A Y T >> S+ 0 0 139 -2,-0.5 4,-1.3 1,-0.3 3,-1.3 0.761 92.7 76.9 -59.7 -22.3 11.9 -3.1 14.5 138 140 A Q H 3> S+ 0 0 29 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.768 80.4 71.6 -59.0 -23.8 9.4 -3.2 17.3 139 141 A T H <> S+ 0 0 4 -3,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.909 98.3 46.4 -58.8 -41.7 8.8 0.5 16.5 140 142 A K H <> S+ 0 0 73 -3,-1.3 4,-2.5 -4,-0.4 -1,-0.2 0.901 109.9 54.0 -68.7 -39.2 7.1 -0.5 13.3 141 143 A L H X S+ 0 0 97 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.952 114.8 39.7 -59.1 -49.0 5.0 -3.1 15.0 142 144 A F H X S+ 0 0 23 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.828 111.5 56.3 -72.2 -30.7 3.7 -0.5 17.6 143 145 A Y H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.930 107.9 50.6 -65.2 -41.7 3.3 2.3 15.0 144 146 A A H X S+ 0 0 25 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.911 110.1 49.3 -60.8 -41.8 1.1 -0.1 13.1 145 147 A D H X S+ 0 0 40 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.950 111.5 49.6 -61.5 -48.1 -0.9 -0.7 16.2 146 148 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.882 108.4 51.9 -58.7 -42.6 -1.2 3.0 16.9 147 149 A L H X>S+ 0 0 1 -4,-2.7 5,-2.8 2,-0.2 4,-0.6 0.910 112.7 46.3 -62.2 -41.5 -2.4 3.7 13.3 148 150 A R H ><5S+ 0 0 164 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.941 111.5 51.1 -65.1 -48.3 -5.1 1.0 13.7 149 151 A E H 3<5S+ 0 0 95 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.862 114.6 43.5 -56.8 -39.6 -6.1 2.3 17.1 150 152 A K H 3<5S- 0 0 85 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.475 114.8-113.2 -87.8 -3.8 -6.5 5.9 15.8 151 153 A G T <<5 + 0 0 68 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.740 66.9 142.8 80.0 23.2 -8.3 4.9 12.6 152 154 A F < - 0 0 50 -5,-2.8 -1,-0.2 -6,-0.2 -128,-0.1 -0.514 59.4 -87.7 -92.4 162.8 -5.5 5.9 10.2 153 155 A P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.398 51.2-103.8 -68.3 147.5 -4.5 4.1 7.0 154 156 A A - 0 0 76 1,-0.2 3,-0.1 -2,-0.1 -10,-0.1 -0.235 50.8 -74.0 -68.5 161.2 -1.9 1.3 7.5 155 157 A L - 0 0 24 1,-0.1 -1,-0.2 -15,-0.1 -32,-0.1 -0.233 67.7 -81.3 -56.1 142.5 1.7 1.8 6.6 156 158 A P 0 0 41 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.025 360.0 360.0 -46.8 144.2 2.4 1.7 2.8 157 159 A V 0 0 192 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.229 360.0 360.0 32.5 360.0 2.7 -1.6 1.0