==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JAN-03 1NQZ . COMPND 2 MOLECULE: COA PYROPHOSPHATASE (MUTT/NUDIX FAMILY PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR L.W.KANG,S.B.GABELLI,M.A.BIANCHET,W.L.XU,M.J.BESSMAN, . 171 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 24.0 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 1.2 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 . 1 0.6 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 . 18 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 17.5 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+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 2 0 0 0 0 1 0 1 0 0 0 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 1 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 1 2 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 4 A P 0 0 162 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.6 21.4 8.5 1.2 2 5 A H - 0 0 135 3,-0.0 3,-0.0 4,-0.0 0, 0.0 -0.604 360.0-157.7 -80.4 135.8 24.2 10.7 0.0 3 6 A D >> - 0 0 19 -2,-0.3 3,-1.5 1,-0.1 4,-0.9 -0.965 21.2-142.3-122.2 128.6 25.0 13.6 2.3 4 7 A P H 3> S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.795 101.2 68.5 -53.5 -29.9 26.8 16.9 1.2 5 8 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.873 96.8 51.3 -58.9 -39.0 28.5 16.8 4.6 6 9 A D H <> S+ 0 0 43 -3,-1.5 4,-0.7 2,-0.2 -1,-0.3 0.814 108.7 52.2 -70.0 -28.6 30.5 13.7 3.5 7 10 A D H >< S+ 0 0 91 -4,-0.9 3,-0.9 -3,-0.3 4,-0.4 0.968 113.8 40.9 -69.8 -53.1 31.5 15.5 0.3 8 11 A I H >< S+ 0 0 15 -4,-2.4 3,-1.0 1,-0.2 6,-0.2 0.835 109.8 61.0 -64.4 -32.7 32.9 18.6 2.1 9 12 A Q H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.3 154,-0.2 0.730 105.1 47.8 -66.2 -24.6 34.4 16.4 4.8 10 13 A A T << S+ 0 0 48 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.462 82.3 112.0 -95.3 -3.6 36.6 14.7 2.2 11 14 A D X - 0 0 62 -3,-1.0 3,-1.7 -4,-0.4 -3,-0.0 -0.618 57.0-157.6 -74.6 105.0 37.7 18.0 0.7 12 15 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 150,-0.1 0.726 90.6 43.3 -54.7 -25.8 41.4 18.2 1.6 13 16 A W T 3 S+ 0 0 196 2,-0.1 2,-0.6 -3,-0.0 -2,-0.1 0.346 80.2 112.6-106.7 4.4 41.4 22.0 1.2 14 17 A A < - 0 0 12 -3,-1.7 2,-0.4 -6,-0.2 149,-0.1 -0.695 63.2-140.5 -78.2 121.4 38.1 22.9 3.0 15 18 A L - 0 0 27 -2,-0.6 2,-0.4 147,-0.1 79,-0.1 -0.706 12.7-155.7 -91.3 136.0 39.2 24.8 6.1 16 19 A W + 0 0 5 -2,-0.4 2,-0.3 76,-0.2 76,-0.2 -0.912 22.8 151.3-113.6 135.1 37.4 24.3 9.4 17 20 A L B -A 91 0A 28 74,-2.3 74,-2.9 -2,-0.4 2,-0.2 -0.853 30.1-142.2-146.3 178.6 37.3 26.7 12.3 18 21 A S 0 0 29 -2,-0.3 72,-0.1 72,-0.2 70,-0.1 -0.761 360.0 360.0-155.6 104.1 35.0 27.8 15.2 19 22 A G 0 0 111 -2,-0.2 -1,-0.1 70,-0.1 71,-0.1 0.262 360.0 360.0 156.7 360.0 34.5 31.4 16.3 20 ! 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 21 33 A Y 0 0 251 0, 0.0 2,-0.5 0, 0.0 75,-0.2 0.000 360.0 360.0 360.0 -17.8 24.3 28.3 5.8 22 34 A R E -b 96 0A 113 73,-1.6 75,-3.7 33,-0.0 2,-0.4 -0.721 360.0-149.7 -84.2 126.7 24.1 24.5 5.5 23 35 A R E +b 97 0A 134 -2,-0.5 33,-1.9 73,-0.2 2,-0.3 -0.787 24.9 156.4-102.7 140.8 23.6 22.9 8.9 24 36 A A E -bC 98 55A 0 73,-2.4 75,-2.4 -2,-0.4 2,-0.3 -0.900 20.6-149.1-147.5 173.3 24.7 19.5 10.1 25 37 A A E -bC 99 54A 0 29,-2.6 29,-2.4 -2,-0.3 2,-0.3 -0.992 1.9-159.6-149.8 152.8 25.6 17.7 13.3 26 38 A V E -bC 100 53A 2 73,-1.9 75,-2.9 -2,-0.3 2,-0.5 -0.964 22.3-124.8-131.6 148.7 27.8 15.0 14.5 27 39 A L E -b 101 0A 1 25,-2.7 2,-0.6 -2,-0.3 75,-0.2 -0.836 17.0-166.2 -94.9 131.0 27.6 12.8 17.6 28 40 A V E -b 102 0A 0 73,-2.8 75,-2.0 -2,-0.5 2,-0.5 -0.828 16.0-174.4-116.7 85.4 30.6 12.9 19.9 29 41 A A E -b 103 0A 1 -2,-0.6 10,-2.4 10,-0.4 2,-0.4 -0.740 5.6-169.6 -89.4 128.3 30.0 10.0 22.2 30 42 A L E -bD 104 38A 10 73,-2.6 75,-2.3 -2,-0.5 8,-0.2 -0.932 23.6-118.5-115.7 137.9 32.4 9.4 25.1 31 43 A T E -b 105 0A 2 6,-2.1 2,-1.5 -2,-0.4 75,-0.2 -0.458 24.2-116.9 -76.1 149.2 32.4 6.3 27.2 32 44 A R S S+ 0 0 121 73,-2.5 2,-0.3 -2,-0.1 -1,-0.1 -0.667 75.6 102.0 -86.3 83.0 31.7 6.6 30.9 33 45 A E S S- 0 0 72 -2,-1.5 73,-0.0 1,-0.1 -2,-0.0 -0.948 85.5 -88.3-155.4 174.1 35.0 5.3 32.2 34 46 A A S S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.946 123.8 28.7 -51.5 -59.9 38.4 6.2 33.6 35 47 A D S S- 0 0 66 -3,-0.1 -1,-0.3 92,-0.0 -4,-0.1 -0.806 97.6-141.8-107.2 85.9 40.1 6.6 30.2 36 48 A P - 0 0 26 0, 0.0 91,-2.7 0, 0.0 2,-0.3 -0.123 9.3-149.5 -51.5 137.0 37.2 7.7 28.0 37 49 A R B -G 126 0B 69 89,-0.3 -6,-2.1 90,-0.1 2,-0.4 -0.823 9.1-136.4-107.6 149.9 37.0 6.4 24.5 38 50 A V B -D 30 0A 0 87,-2.5 2,-0.7 -2,-0.3 -8,-0.2 -0.911 18.0-121.9-110.0 133.7 35.5 8.4 21.6 39 51 A L + 0 0 1 -10,-2.4 -10,-0.4 -2,-0.4 2,-0.3 -0.637 44.2 161.8 -77.8 113.6 33.2 6.8 19.1 40 52 A L E -H 123 0C 0 83,-2.5 83,-2.4 -2,-0.7 2,-0.3 -0.875 22.7-146.2-128.4 161.9 34.5 7.2 15.6 41 53 A T E -HI 122 50C 0 9,-2.7 9,-2.2 -2,-0.3 2,-0.6 -0.895 10.7-143.7-128.9 157.2 33.9 5.5 12.3 42 54 A V E -HI 121 49C 11 79,-2.2 78,-2.6 -2,-0.3 79,-1.4 -0.991 33.4-133.0-116.8 116.1 35.9 4.7 9.2 43 55 A R E H 119 0C 22 5,-2.9 76,-0.3 -2,-0.6 5,-0.2 -0.421 360.0 360.0 -74.3 148.0 33.7 5.1 6.2 44 56 A S 0 0 105 74,-1.5 4,-0.2 73,-0.2 -1,-0.1 -0.255 360.0 360.0 -72.7 360.0 33.5 2.4 3.5 45 ! 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 46 63 A K 0 0 246 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 133.4 42.0 4.8 3.0 47 64 A G - 0 0 36 1,-0.1 2,-0.4 -5,-0.0 -3,-0.1 -0.376 360.0 -99.5 -75.2 150.8 38.5 5.4 4.4 48 65 A Q - 0 0 34 -4,-0.2 -5,-2.9 -5,-0.2 2,-0.5 -0.537 33.6-141.9 -69.8 120.9 37.3 8.7 5.6 49 66 A I E +I 42 0C 6 -2,-0.4 2,-0.3 110,-0.3 112,-0.2 -0.760 39.5 146.1 -86.9 126.7 37.5 8.9 9.5 50 67 A A E -I 41 0C 0 -9,-2.2 -9,-2.7 -2,-0.5 3,-0.1 -0.979 49.6-103.8-155.5 163.9 34.5 10.7 10.9 51 68 A F - 0 0 1 -2,-0.3 -11,-0.1 -11,-0.2 -23,-0.1 -0.534 58.2 -86.8 -84.0 157.9 32.0 11.0 13.8 52 69 A P S S+ 0 0 0 0, 0.0 -25,-2.7 0, 0.0 2,-0.3 -0.464 83.8 105.7 -62.4 139.9 28.5 9.6 13.2 53 70 A G E +C 26 0A 3 -27,-0.3 2,-0.3 16,-0.2 -27,-0.2 -0.997 35.0 174.6 172.1-174.7 26.6 12.5 11.6 54 71 A G E -C 25 0A 0 -29,-2.4 -29,-2.6 -2,-0.3 2,-0.1 -0.957 47.1 -43.9 166.3-179.7 25.0 14.3 8.7 55 72 A S E -C 24 0A 22 -2,-0.3 -31,-0.3 -31,-0.3 2,-0.2 -0.398 62.0-104.1 -71.8 147.0 23.0 17.2 7.6 56 73 A L - 0 0 26 -33,-1.9 -33,-0.1 -2,-0.1 -1,-0.1 -0.524 34.0-132.2 -70.9 136.1 19.9 18.2 9.6 57 74 A D > - 0 0 93 -2,-0.2 3,-1.8 4,-0.2 2,-0.1 -0.355 47.4 -67.7 -78.2 171.4 16.7 17.1 7.8 58 75 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.390 123.2 6.2 -63.4 134.5 14.0 19.8 7.6 59 76 A G T 3 S+ 0 0 87 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.525 102.3 124.7 71.2 6.2 12.5 20.6 11.0 60 77 A E < - 0 0 29 -3,-1.8 -1,-0.2 4,-0.0 -4,-0.0 -0.815 54.3-135.1-101.5 137.9 15.1 18.5 12.7 61 78 A T > - 0 0 65 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.338 27.2-105.2 -84.0 168.4 17.4 19.8 15.5 62 79 A P H > S+ 0 0 22 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.942 121.5 49.2 -59.1 -45.9 21.2 19.2 15.8 63 80 A T H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 110.8 49.1 -60.5 -44.9 20.7 16.8 18.7 64 81 A Q H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 113.3 47.9 -61.2 -42.2 18.0 14.8 16.8 65 82 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.948 111.1 49.5 -63.7 -49.4 20.2 14.6 13.7 66 83 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -39,-0.3 0.929 114.8 44.4 -56.7 -48.5 23.3 13.5 15.7 67 84 A L H X S+ 0 0 26 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.914 113.7 49.5 -63.9 -44.7 21.3 10.8 17.5 68 85 A R H X S+ 0 0 45 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.929 111.2 50.4 -60.1 -45.8 19.5 9.6 14.4 69 86 A E H X S+ 0 0 15 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.907 109.5 48.9 -60.7 -43.7 22.8 9.4 12.5 70 87 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 6,-1.7 0.888 115.3 46.2 -64.0 -36.5 24.6 7.4 15.2 71 88 A Q H X S+ 0 0 96 -4,-2.1 4,-0.9 4,-0.3 -2,-0.2 0.879 115.3 45.1 -73.3 -37.3 21.6 5.0 15.3 72 89 A E H < S+ 0 0 81 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.866 120.5 40.9 -72.4 -36.3 21.4 4.7 11.5 73 90 A E H < S+ 0 0 0 -4,-2.8 43,-1.5 -5,-0.2 46,-0.2 0.929 138.2 2.7 -79.4 -50.9 25.1 4.2 11.1 74 91 A V H < S- 0 0 0 -4,-2.2 40,-2.1 -5,-0.3 -3,-0.2 0.201 96.8-108.0-125.7 16.0 26.2 1.9 13.9 75 92 A A < + 0 0 51 -4,-0.9 2,-0.6 -5,-0.3 -4,-0.3 0.756 54.8 168.9 64.1 27.3 22.9 1.1 15.6 76 93 A L - 0 0 3 -6,-1.7 -1,-0.2 -7,-0.1 -2,-0.1 -0.609 35.5-128.7 -73.0 118.4 23.6 3.2 18.7 77 94 A D > - 0 0 84 -2,-0.6 3,-2.5 1,-0.2 4,-0.4 -0.544 7.8-141.5 -70.4 121.3 20.4 3.5 20.6 78 95 A P G > S+ 0 0 32 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.820 101.5 61.8 -52.6 -32.3 19.7 7.2 21.4 79 96 A A G 3 S+ 0 0 90 1,-0.3 -2,-0.1 3,-0.1 -3,-0.0 0.663 94.0 63.7 -70.1 -13.6 18.4 6.3 24.8 80 97 A A G < S+ 0 0 38 -3,-2.5 2,-0.5 25,-0.0 26,-0.4 0.570 91.6 85.6 -83.8 -8.0 21.9 4.9 25.6 81 98 A V < - 0 0 13 -3,-1.6 2,-0.7 -4,-0.4 24,-0.2 -0.828 64.0-156.6-102.9 125.9 23.2 8.4 25.2 82 99 A T E -E 104 0A 71 22,-2.5 22,-1.9 -2,-0.5 2,-0.3 -0.887 27.6-129.3 -96.5 115.9 23.3 11.0 28.0 83 100 A L E -E 103 0A 85 -2,-0.7 20,-0.3 20,-0.2 3,-0.1 -0.516 27.3-179.5 -71.5 124.5 23.4 14.4 26.3 84 101 A L E - 0 0 78 18,-2.1 2,-0.2 1,-0.5 19,-0.2 0.362 48.6-103.2-104.1 2.4 26.2 16.6 27.7 85 102 A G E -E 102 0A 25 17,-0.8 17,-2.8 2,-0.0 -1,-0.5 -0.688 48.6 -69.3 105.2-163.7 25.5 19.6 25.5 86 103 A E E -E 101 0A 98 15,-0.3 15,-0.2 -2,-0.2 2,-0.1 -0.875 29.1-123.3-131.2 162.6 27.5 20.6 22.5 87 104 A L - 0 0 30 13,-2.3 3,-0.1 -2,-0.3 15,-0.0 -0.377 57.7 -69.5 -88.6 176.5 30.9 22.0 21.6 88 105 A D - 0 0 109 -2,-0.1 -1,-0.2 1,-0.1 82,-0.1 -0.373 61.8 -96.5 -66.8 149.9 31.2 25.2 19.6 89 106 A D - 0 0 58 10,-0.1 2,-0.4 -3,-0.1 10,-0.2 -0.375 35.5-149.9 -64.7 144.8 30.0 24.9 16.0 90 107 A V E + F 0 98A 0 8,-2.1 8,-3.1 -72,-0.1 2,-0.3 -0.899 22.6 179.0-113.2 146.6 32.8 24.3 13.5 91 108 A F E -AF 17 97A 45 -74,-2.9 -74,-2.3 -2,-0.4 6,-0.2 -0.966 24.6-139.3-148.4 164.2 32.4 25.7 10.1 92 109 A T E >> - F 0 96A 6 4,-1.7 3,-2.2 -2,-0.3 4,-1.3 -0.979 29.4-118.2-127.4 138.4 34.0 26.0 6.6 93 110 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -77,-0.1 0.818 106.3 70.2 -40.1 -46.7 33.9 29.1 4.4 94 111 A V T 34 S- 0 0 91 -79,-0.1 -80,-0.0 1,-0.1 -3,-0.0 0.766 125.5 -82.2 -48.3 -31.5 32.0 27.3 1.6 95 112 A G T <4 S+ 0 0 16 -3,-2.2 -73,-1.6 1,-0.2 2,-0.4 0.696 82.3 126.0 127.8 50.5 28.9 27.2 3.7 96 113 A F E < -bF 22 92A 1 -4,-1.3 -4,-1.7 -75,-0.2 2,-0.5 -0.993 30.4-169.9-137.3 128.2 28.7 24.4 6.2 97 114 A H E -bF 23 91A 68 -75,-3.7 -73,-2.4 -2,-0.4 2,-0.5 -0.981 10.1-165.3-118.1 122.9 28.0 24.7 10.0 98 115 A V E -bF 24 90A 0 -8,-3.1 -8,-2.1 -2,-0.5 -73,-0.3 -0.942 8.1-155.5-114.8 127.9 28.5 21.6 12.1 99 116 A T E -b 25 0A 10 -75,-2.4 -73,-1.9 -2,-0.5 2,-0.9 -0.878 11.4-147.7-100.7 111.8 27.1 21.2 15.6 100 117 A P E -b 26 0A 0 0, 0.0 -13,-2.3 0, 0.0 2,-0.6 -0.718 14.1-156.1 -84.0 110.9 29.1 18.7 17.6 101 118 A V E -bE 27 86A 1 -75,-2.9 -73,-2.8 -2,-0.9 -15,-0.3 -0.771 9.2-143.8 -88.1 115.9 26.6 17.1 20.0 102 119 A L E +bE 28 85A 24 -17,-2.8 -18,-2.1 -2,-0.6 -17,-0.8 -0.549 26.3 165.1 -84.1 145.2 28.2 15.7 23.1 103 120 A G E -bE 29 83A 0 -75,-2.0 -73,-2.6 -20,-0.3 2,-0.4 -0.983 26.3-139.1-152.9 157.1 27.0 12.5 24.7 104 121 A R E -bE 30 82A 66 -22,-1.9 -22,-2.5 -2,-0.3 2,-0.3 -0.987 20.9-178.9-125.5 135.4 28.1 9.9 27.2 105 122 A I E -b 31 0A 0 -75,-2.3 -73,-2.5 -2,-0.4 -24,-0.1 -0.858 36.3 -96.1-126.9 161.0 27.5 6.2 26.9 106 123 A A > - 0 0 30 -26,-0.4 3,-1.3 -2,-0.3 4,-0.5 -0.499 36.4-121.8 -71.9 146.1 28.3 3.2 29.0 107 124 A P G > S+ 0 0 23 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.891 113.0 60.9 -57.5 -36.5 31.6 1.5 27.8 108 125 A E G >> S+ 0 0 119 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.768 85.4 76.4 -60.7 -27.9 29.6 -1.7 27.3 109 126 A A G X4 S+ 0 0 20 -3,-1.3 3,-0.7 1,-0.3 -1,-0.3 0.819 88.0 60.5 -54.3 -31.5 27.4 0.1 24.7 110 127 A L G X4 S+ 0 0 21 -3,-1.5 3,-1.4 -4,-0.5 -1,-0.3 0.840 89.8 70.4 -65.3 -34.6 30.2 -0.2 22.2 111 128 A D G <4 S+ 0 0 127 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.768 104.6 37.1 -56.3 -31.3 30.3 -4.0 22.3 112 129 A T G << S+ 0 0 120 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.249 80.9 126.8-110.0 12.9 27.0 -4.4 20.5 113 130 A L < - 0 0 24 -3,-1.4 2,-0.5 -4,-0.2 -38,-0.2 -0.384 47.7-148.3 -66.1 150.8 27.1 -1.6 18.0 114 131 A R - 0 0 195 -40,-2.1 -38,-0.1 -2,-0.0 -2,-0.1 -0.963 7.7-131.3-132.3 117.6 26.5 -2.9 14.4 115 132 A V - 0 0 57 -2,-0.5 -41,-0.2 -41,-0.1 -42,-0.1 -0.320 18.1-152.8 -63.2 138.9 28.1 -1.3 11.4 116 133 A T > - 0 0 40 -43,-1.5 3,-2.2 -2,-0.0 -43,-0.1 -0.633 40.3 -85.5-104.5 169.5 25.8 -0.6 8.5 117 134 A P T 3 S+ 0 0 119 0, 0.0 -73,-0.2 0, 0.0 -44,-0.1 0.782 124.9 58.7 -47.0 -37.1 27.0 -0.4 4.8 118 135 A E T 3 S+ 0 0 63 -75,-0.1 -74,-1.5 1,-0.1 2,-0.5 0.667 101.5 64.2 -72.1 -13.1 28.2 3.2 5.0 119 136 A V E < -H 43 0C 3 -3,-2.2 -76,-0.2 -76,-0.3 3,-0.1 -0.951 58.1-173.1-115.5 125.2 30.6 2.4 7.9 120 137 A A E S- 0 0 59 -78,-2.6 2,-0.3 -2,-0.5 -77,-0.2 0.851 70.6 -11.8 -81.5 -40.3 33.5 -0.0 7.4 121 138 A Q E -H 42 0C 96 -79,-1.4 -79,-2.2 2,-0.0 2,-0.5 -0.986 59.4-120.8-157.5 162.8 34.6 -0.2 11.0 122 139 A I E -H 41 0C 50 -2,-0.3 2,-0.4 -81,-0.2 -81,-0.2 -0.937 28.4-171.6-109.3 128.1 34.2 1.4 14.4 123 140 A I E -H 40 0C 9 -83,-2.4 -83,-2.5 -2,-0.5 -2,-0.0 -0.956 9.2-166.4-121.1 143.2 37.3 2.8 16.0 124 141 A T - 0 0 34 -2,-0.4 -85,-0.2 -85,-0.2 -2,-0.0 -0.647 6.5-169.9-131.9 79.0 37.5 4.1 19.6 125 142 A P - 0 0 0 0, 0.0 -87,-2.5 0, 0.0 2,-0.2 -0.344 26.2-122.4 -63.9 147.0 40.6 6.1 20.3 126 143 A T B > -G 37 0B 8 -89,-0.2 4,-2.3 1,-0.1 -89,-0.3 -0.618 15.6-124.5 -87.1 153.1 41.1 6.9 24.0 127 144 A L H > S+ 0 0 17 -91,-2.7 4,-1.8 -2,-0.2 5,-0.2 0.885 113.5 54.5 -65.8 -35.1 41.3 10.6 24.9 128 145 A A H > S+ 0 0 46 -92,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.922 108.3 49.2 -61.7 -45.0 44.6 9.9 26.6 129 146 A E H >> S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.942 110.0 49.5 -60.4 -50.0 45.9 8.3 23.4 130 147 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 110.6 51.5 -60.9 -30.4 44.8 11.2 21.2 131 148 A R H 3< S+ 0 0 148 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.771 113.8 45.2 -75.5 -25.2 46.5 13.6 23.6 132 149 A A H << S+ 0 0 84 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.677 88.4 101.5 -91.3 -22.7 49.7 11.6 23.4 133 150 A V S < S- 0 0 24 -4,-1.9 2,-2.2 1,-0.1 22,-0.1 -0.246 93.2 -94.8 -61.0 149.8 49.9 11.1 19.7 134 151 A P - 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0 0 60 -5,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.527 44.3-133.8 -72.6 123.3 42.9 35.3 8.7 147 164 A E E -J 141 0D 131 -2,-0.4 -6,-0.2 -6,-0.2 -1,-0.1 -0.447 23.6-168.5 -73.7 147.6 45.2 32.6 9.9 148 165 A V E -J 140 0D 4 -8,-2.4 -8,-2.2 -2,-0.1 2,-0.2 -0.990 18.2-125.7-144.0 130.6 43.6 29.3 10.8 149 166 A P E -J 139 0D 39 0, 0.0 2,-0.4 0, 0.0 -10,-0.3 -0.542 21.1-161.7 -78.5 139.4 45.0 26.2 12.6 150 167 A L E -J 138 0D 39 -12,-3.0 -12,-2.3 -2,-0.2 2,-0.3 -0.954 8.7-160.3-118.5 139.2 44.7 22.8 11.0 151 168 A Y E -J 137 0D 33 -2,-0.4 11,-0.6 11,-0.2 2,-0.3 -0.860 14.7-177.3-123.9 158.2 45.1 19.6 13.0 152 169 A R E -JK 136 161D 91 -16,-1.2 -16,-2.6 -2,-0.3 9,-0.2 -0.949 12.8-155.0-151.4 125.8 45.8 15.9 12.3 153 170 A Y E - K 0 160D 4 7,-2.9 7,-2.2 -2,-0.3 2,-1.2 -0.913 8.9-153.3-107.4 109.1 45.9 13.1 14.8 154 171 A P E + K 0 159D 42 0, 0.0 2,-0.6 0, 0.0 5,-0.2 -0.692 26.7 174.1 -80.8 97.0 48.1 10.2 13.6 155 172 A W E > - K 0 158D 18 3,-1.5 3,-2.3 -2,-1.2 -2,-0.1 -0.921 59.4 -32.8-118.1 115.3 46.5 7.3 15.5 156 173 A R T 3 S- 0 0 184 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.775 122.9 -46.6 52.6 35.1 47.5 3.7 15.0 157 174 A G T 3 S+ 0 0 74 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 0.169 118.5 110.6 96.6 -18.9 48.4 4.1 11.4 158 175 A L E < -K 155 0D 55 -3,-2.3 -3,-1.5 -112,-0.0 2,-0.6 -0.530 62.7-136.4 -88.9 157.6 45.2 6.0 10.6 159 176 A D E -K 154 0D 56 -5,-0.2 2,-0.7 -2,-0.2 -110,-0.3 -0.921 14.0-168.4-119.7 105.2 45.1 9.7 9.8 160 177 A I E +K 153 0D 0 -7,-2.2 -7,-2.9 -2,-0.6 2,-0.2 -0.848 31.3 145.0 -93.5 116.8 42.3 11.7 11.5 161 178 A W E >> +K 152 0D 61 -2,-0.7 3,-0.8 -112,-0.2 4,-0.8 -0.757 28.8 26.1-140.1-174.9 42.1 15.1 9.9 162 179 A G H 3> S- 0 0 19 -11,-0.6 4,-2.0 1,-0.2 -11,-0.2 -0.238 118.0 -5.6 61.2-138.7 40.0 18.0 8.7 163 180 A M H 3> S+ 0 0 1 1,-0.2 4,-2.3 -154,-0.2 -1,-0.2 0.901 135.4 54.1 -57.2 -44.5 36.7 18.8 10.4 164 181 A T H <> S+ 0 0 0 -3,-0.8 4,-2.6 -115,-0.2 -1,-0.2 0.901 110.3 45.8 -59.5 -43.2 36.9 15.6 12.6 165 182 A A H X S+ 0 0 0 -4,-0.8 4,-3.0 -14,-0.2 -1,-0.2 0.848 110.4 54.3 -69.1 -34.5 40.3 16.6 13.9 166 183 A R H X S+ 0 0 35 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.909 112.2 43.6 -65.2 -42.1 39.2 20.2 14.6 167 184 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.928 113.7 52.1 -68.1 -44.5 36.3 18.9 16.6 168 185 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.934 109.1 49.0 -56.7 -49.8 38.6 16.4 18.4 169 186 A H H X S+ 0 0 24 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.879 111.7 49.0 -60.2 -38.9 41.1 19.1 19.3 170 187 A D H < S+ 0 0 30 -4,-1.7 3,-0.5 2,-0.2 -1,-0.2 0.903 110.7 51.2 -67.0 -40.8 38.3 21.3 20.7 171 188 A L H < S+ 0 0 26 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.913 109.0 50.9 -60.7 -43.9 37.0 18.3 22.7 172 189 A L H < 0 0 18 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.707 360.0 360.0 -68.7 -18.9 40.5 17.7 24.1 173 190 A E < 0 0 172 -4,-0.9 -3,-0.2 -3,-0.5 -2,-0.1 0.609 360.0 360.0-109.1 360.0 40.7 21.4 25.1