==== 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 TRANSFERASE 02-DEC-02 1NB2 . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIRGIBACILLUS HALODENITRIFICANS; . AUTHOR C.-J.CHEN,M.-Y.LIU,W.-C.CHANG,T.CHANG,B.-C.WANG,J.LE GALL . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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 . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 1 1 1 0 1 2 0 1 0 0 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 55 0, 0.0 77,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.0 100.2 69.7 66.5 2 3 A E - 0 0 69 74,-0.1 2,-0.2 75,-0.1 75,-0.2 -0.170 360.0-143.1 -51.8 139.5 100.6 69.5 70.3 3 4 A R - 0 0 96 73,-0.2 2,-0.3 117,-0.1 78,-0.2 -0.663 15.6-169.7-107.1 163.1 98.9 66.5 71.8 4 5 A T E -A 75 0A 0 71,-0.6 71,-2.5 -2,-0.2 2,-0.5 -0.971 18.3-133.8-153.5 137.1 97.0 66.1 75.1 5 6 A F E +A 74 0A 0 -2,-0.3 112,-2.0 69,-0.2 2,-0.3 -0.807 35.0 155.8 -94.4 131.4 95.6 63.2 77.1 6 7 A L E -C 116 0B 0 67,-2.1 67,-0.4 -2,-0.5 2,-0.3 -0.923 12.6-179.6-156.9 124.3 92.1 63.5 78.4 7 8 A M E -C 115 0B 2 108,-0.9 108,-2.8 -2,-0.3 2,-0.7 -0.793 32.3-110.9-122.5 166.4 89.6 60.8 79.3 8 9 A V E -CD 114 71B 0 63,-2.2 63,-0.8 -2,-0.3 106,-0.3 -0.873 37.8-130.9-100.9 112.0 86.0 60.6 80.6 9 10 A K >> - 0 0 27 104,-1.8 4,-1.4 -2,-0.7 3,-0.7 -0.184 33.9 -92.4 -57.7 154.6 86.1 59.2 84.2 10 11 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.784 122.5 61.2 -35.2 -44.6 83.7 56.3 85.0 11 12 A D H 3> S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.947 104.0 44.8 -54.5 -57.0 81.0 58.7 86.1 12 13 A G H <4>S+ 0 0 0 -3,-0.7 5,-2.2 101,-0.5 6,-0.4 0.865 111.0 53.9 -57.6 -40.1 80.5 60.5 82.8 13 14 A V H ><5S+ 0 0 27 -4,-1.4 3,-1.1 1,-0.2 5,-0.3 0.940 114.7 42.7 -58.7 -44.7 80.5 57.3 80.8 14 15 A Q H 3<5S+ 0 0 119 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.804 109.0 57.5 -70.6 -33.1 77.8 56.1 83.2 15 16 A R T 3<5S- 0 0 113 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.133 113.5-118.7 -85.1 17.4 76.0 59.5 83.0 16 17 A N T < 5S+ 0 0 133 -3,-1.1 3,-0.3 -5,-0.2 4,-0.3 0.590 77.9 127.8 55.8 18.3 75.8 59.1 79.2 17 18 A L >< + 0 0 16 -5,-2.2 4,-1.9 1,-0.2 5,-0.2 0.245 33.6 105.2 -87.0 14.7 77.9 62.2 78.6 18 19 A V H > S+ 0 0 41 -6,-0.4 4,-1.8 -5,-0.3 -1,-0.2 0.986 79.9 44.9 -57.6 -60.9 80.4 60.4 76.4 19 20 A G H > S+ 0 0 42 -3,-0.3 4,-3.1 2,-0.2 3,-0.5 0.883 114.3 45.8 -48.1 -58.3 79.2 62.0 73.1 20 21 A E H > S+ 0 0 73 -4,-0.3 4,-3.0 1,-0.3 -1,-0.2 0.941 112.3 51.1 -54.1 -54.6 78.9 65.6 74.3 21 22 A V H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 -1,-0.3 0.779 115.0 43.9 -55.9 -31.4 82.2 65.6 76.0 22 23 A V H >X S+ 0 0 24 -4,-1.8 3,-1.7 -3,-0.5 4,-1.0 0.972 114.5 49.5 -73.2 -60.5 83.8 64.3 72.8 23 24 A K H 3X S+ 0 0 125 -4,-3.1 4,-2.4 1,-0.3 -2,-0.2 0.739 96.5 70.2 -44.0 -40.6 81.8 66.7 70.5 24 25 A R H 3< S+ 0 0 59 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.1 0.900 105.8 39.9 -49.4 -43.4 82.8 69.7 72.6 25 26 A F H XX>S+ 0 0 0 -3,-1.7 4,-1.7 -4,-0.6 5,-1.1 0.762 110.0 58.9 -81.3 -25.3 86.3 69.5 71.4 26 27 A E H ><5S+ 0 0 120 -4,-1.0 3,-0.5 1,-0.2 -2,-0.2 0.976 108.5 44.4 -65.7 -52.0 85.4 68.5 67.8 27 28 A S T 3<5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.273 112.1 57.4 -74.0 7.0 83.4 71.8 67.3 28 29 A K T <45S- 0 0 109 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.677 118.6-107.0-103.5 -37.4 86.3 73.6 69.0 29 30 A G T <<5S+ 0 0 17 -4,-1.7 -3,-0.2 -3,-0.5 -2,-0.1 0.113 72.1 136.5 130.2 -19.8 89.0 72.4 66.6 30 31 A L < - 0 0 12 -5,-1.1 2,-0.5 -6,-0.1 -1,-0.4 -0.278 50.0-131.4 -59.7 139.5 90.9 69.9 68.7 31 32 A K E -B 76 0A 58 45,-0.9 45,-2.1 -3,-0.1 2,-1.2 -0.882 6.0-129.9-106.5 125.3 91.7 66.7 66.8 32 33 A L E +B 75 0A 70 -2,-0.5 2,-1.1 43,-0.2 43,-0.2 -0.525 27.2 177.6 -72.1 94.1 90.9 63.2 68.0 33 34 A A E - 0 0 2 41,-2.6 41,-0.1 -2,-1.2 103,-0.1 -0.832 66.0 -25.4 -98.2 88.9 94.2 61.3 67.6 34 35 A G E + 0 0 11 -2,-1.1 40,-1.5 1,-0.1 2,-0.2 0.538 65.1 178.4 82.3 140.6 93.1 58.0 69.1 35 36 A A E +B 73 0A 31 100,-0.3 2,-0.2 38,-0.2 38,-0.2 -0.845 8.7 148.0-176.0 133.6 90.5 57.0 71.6 36 37 A K E -B 72 0A 42 36,-1.3 36,-2.0 -2,-0.2 95,-0.0 -0.851 50.3 -92.0-152.5-170.0 89.1 53.8 73.3 37 38 A L + 0 0 89 34,-0.2 2,-0.9 -2,-0.2 33,-0.3 -0.100 50.1 159.8-108.5 38.8 87.5 52.3 76.4 38 39 A M - 0 0 132 31,-0.1 -2,-0.1 92,-0.1 0, 0.0 -0.451 32.8-139.8 -72.0 104.4 90.6 51.0 78.4 39 40 A V - 0 0 64 -2,-0.9 27,-0.1 1,-0.1 5,-0.1 0.039 15.3-119.3 -52.0 161.1 89.6 50.5 82.0 40 41 A I >> - 0 0 5 25,-0.5 4,-1.3 28,-0.3 5,-0.5 0.816 28.3-164.1 -78.5 -32.8 92.0 51.4 84.8 41 42 A S T 45 - 0 0 80 1,-0.2 2,-2.6 25,-0.2 3,-0.2 0.808 51.3 -90.9 51.7 41.1 92.3 47.9 86.3 42 43 A K T >>5S+ 0 0 149 1,-0.2 4,-1.8 20,-0.2 3,-1.1 -0.349 125.7 64.4 60.3 -70.9 93.8 49.2 89.5 43 44 A D H 3>5S+ 0 0 138 -2,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.894 101.5 49.7 -48.1 -47.8 97.4 49.0 88.4 44 45 A G H 3X5S+ 0 0 37 -4,-1.3 4,-1.4 -3,-0.2 -1,-0.3 0.810 113.7 50.6 -62.0 -28.7 96.9 51.5 85.7 45 46 A A H <>< S+ 0 0 77 -4,-1.3 3,-1.7 -5,-0.3 4,-0.3 0.961 113.6 45.9 -72.1 -53.9 100.5 54.9 88.8 48 49 A H H 3< S+ 0 0 26 -4,-1.4 3,-0.4 -3,-0.4 -2,-0.2 0.876 123.6 36.1 -55.0 -43.6 98.5 57.6 87.1 49 50 A Y T 3< S+ 0 0 41 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.213 83.8 123.3 -93.6 10.3 97.3 58.8 90.5 50 51 A A X + 0 0 34 -3,-1.7 3,-0.7 -5,-0.4 -1,-0.2 0.811 45.9 95.5 -38.7 -43.7 100.7 58.0 92.0 51 52 A E T 3 S+ 0 0 167 -3,-0.4 4,-0.1 -4,-0.3 -3,-0.0 -0.309 99.9 3.0 -58.1 125.9 101.1 61.6 93.1 52 53 A L T 3 S+ 0 0 122 1,-0.1 3,-0.5 2,-0.1 6,-0.3 0.970 73.7 157.8 58.8 58.8 100.0 61.9 96.8 53 54 A G S < S+ 0 0 38 -3,-0.7 -2,-0.1 1,-0.2 -1,-0.1 0.685 71.6 63.9 -80.0 -20.4 99.3 58.2 97.4 54 55 A G S S+ 0 0 82 4,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.508 81.8 101.1 -79.4 -8.0 99.8 58.9 101.0 55 56 A G S > S- 0 0 7 -3,-0.5 3,-1.9 1,-0.1 4,-0.4 -0.690 82.2-124.2 -81.9 134.3 96.8 61.2 101.0 56 57 A P T > S+ 0 0 125 0, 0.0 3,-1.3 0, 0.0 5,-0.2 0.698 103.8 72.9 -46.1 -30.7 93.5 59.7 102.4 57 58 A F T 3> S+ 0 0 99 1,-0.3 4,-1.1 3,-0.1 5,-0.2 0.867 80.7 70.9 -57.3 -35.6 91.6 60.5 99.1 58 59 A F H X> S+ 0 0 60 -3,-1.9 4,-2.2 -6,-0.3 2,-1.4 0.844 88.0 70.4 -48.2 -39.1 93.5 57.6 97.4 59 60 A G H <4 S+ 0 0 65 -3,-1.3 -1,-0.2 -4,-0.4 -6,-0.0 -0.720 118.7 12.3 -82.7 94.3 91.3 55.5 99.6 60 61 A G H 34 S+ 0 0 66 -2,-1.4 4,-0.4 50,-0.0 -1,-0.3 0.160 121.9 70.1 120.7 -13.4 88.1 56.2 97.8 61 62 A L H 4 S+ 0 0 17 -4,-0.4 3,-2.0 1,-0.2 4,-0.3 0.965 106.5 46.8 -64.5 -63.1 86.2 55.3 91.7 65 66 A A H 3< S+ 0 0 6 -4,-1.4 -25,-0.5 1,-0.3 -1,-0.2 0.823 109.5 59.0 -51.7 -33.4 88.1 55.2 88.4 66 67 A T T 3< S+ 0 0 35 -4,-0.8 -1,-0.3 -5,-0.2 -25,-0.2 0.536 90.5 73.1 -76.6 -10.8 88.3 51.4 88.6 67 68 A S S < S+ 0 0 78 -3,-2.0 -26,-0.1 -4,-0.4 -2,-0.1 0.882 102.3 13.7 -68.0 -96.5 84.5 50.8 88.7 68 69 A G S S- 0 0 10 -4,-0.3 -28,-0.3 1,-0.1 -57,-0.1 -0.083 97.1 -77.1 -74.9 173.5 83.1 51.5 85.2 69 70 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -56,-0.2 0.232 38.0-135.7 -58.1-172.4 85.0 51.9 81.9 70 71 A V - 0 0 0 -33,-0.3 2,-1.1 -61,-0.1 -61,-0.2 -0.857 3.6-143.8-156.0 112.8 87.0 55.0 80.8 71 72 A F B -D 8 0B 38 -63,-0.8 -63,-2.2 -2,-0.3 -34,-0.2 -0.713 28.3-165.6 -81.5 100.4 86.9 56.5 77.4 72 73 A A E + B 0 36A 1 -36,-2.0 -36,-1.3 -2,-1.1 2,-0.3 -0.615 10.3 177.6 -87.1 150.0 90.5 57.7 77.0 73 74 A M E - B 0 35A 0 -67,-0.4 -67,-2.1 -2,-0.2 2,-0.4 -0.969 26.3-148.0-148.9 165.6 91.5 60.2 74.3 74 75 A V E -A 5 0A 5 -40,-1.5 -41,-2.6 -2,-0.3 2,-0.4 -0.992 23.0-160.1-137.6 121.4 94.5 62.2 72.8 75 76 A W E -AB 4 32A 0 -71,-2.5 -71,-0.6 -2,-0.4 -43,-0.2 -0.882 1.6-153.0-114.9 143.9 93.8 65.6 71.2 76 77 A E E + B 0 31A 18 -45,-2.1 -45,-0.9 -2,-0.4 -73,-0.2 -0.426 37.9 79.8-104.1 178.1 95.7 67.7 68.7 77 78 A G S > S- 0 0 5 -75,-0.2 3,-1.3 -47,-0.2 4,-0.2 -0.330 80.2 -50.1 110.9 164.7 96.2 71.3 67.7 78 79 A L T 3 S+ 0 0 101 1,-0.3 5,-0.1 -77,-0.2 -2,-0.0 -0.447 125.5 2.8 -71.6 142.4 98.1 74.4 68.9 79 80 A N T 3> S+ 0 0 102 -2,-0.1 4,-2.8 1,-0.1 5,-0.4 0.755 86.9 148.1 52.7 24.4 97.6 75.1 72.6 80 81 A A H <> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.2 -2,-0.1 0.970 72.9 37.1 -51.9 -55.4 95.5 72.0 72.7 81 82 A A H > S+ 0 0 5 -4,-0.2 4,-1.4 -78,-0.2 5,-0.2 0.882 116.3 52.9 -65.7 -41.8 96.4 71.2 76.4 82 83 A A H > S+ 0 0 53 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.971 117.2 37.1 -57.9 -55.4 96.5 74.8 77.5 83 84 A T H X S+ 0 0 35 -4,-2.8 4,-1.9 1,-0.2 5,-0.3 0.804 106.2 69.4 -67.7 -33.6 93.0 75.5 76.2 84 85 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.4 3,-0.5 0.953 99.1 46.4 -52.6 -59.6 91.6 72.1 77.1 85 86 A R H X S+ 0 0 86 -4,-1.4 4,-2.6 32,-0.3 -1,-0.2 0.852 107.1 60.6 -53.5 -36.2 91.7 72.6 80.9 86 87 A Q H < S+ 0 0 146 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.954 116.6 30.8 -57.1 -49.3 90.1 76.0 80.4 87 88 A I H < S+ 0 0 44 -4,-1.9 14,-1.5 -3,-0.5 15,-0.3 0.621 110.6 66.9 -86.1 -11.3 87.0 74.4 78.8 88 89 A L H < S- 0 0 2 -4,-2.2 14,-1.1 -5,-0.3 -2,-0.2 0.931 108.0-135.3 -70.5 -39.1 87.4 71.3 80.9 89 90 A G < - 0 0 11 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.467 29.1 -43.5 108.0 171.9 86.5 73.6 83.8 90 91 A A - 0 0 38 2,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.270 61.8-108.4 -66.3 159.6 87.9 74.1 87.3 91 92 A T S S+ 0 0 96 1,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.963 108.2 65.2 -58.3 -47.6 88.6 70.9 89.2 92 93 A N S > S- 0 0 63 1,-0.2 3,-1.5 3,-0.1 4,-0.5 -0.636 71.5-158.8 -80.4 112.2 85.6 71.5 91.5 93 94 A P T 3 S+ 0 0 7 0, 0.0 3,-0.2 0, 0.0 13,-0.2 0.743 93.4 59.9 -61.6 -26.0 82.4 71.3 89.4 94 95 A S T 3 S+ 0 0 80 1,-0.2 13,-0.1 13,-0.1 -2,-0.1 0.124 117.4 33.1 -90.0 25.2 80.5 73.2 92.1 95 96 A D S < S+ 0 0 120 -3,-1.5 2,-0.4 -5,-0.1 -1,-0.2 0.220 93.6 114.9-155.5 -1.6 83.0 76.0 91.5 96 97 A A S S- 0 0 8 -4,-0.5 4,-0.1 -3,-0.2 3,-0.1 -0.694 76.9 -95.7 -88.3 129.3 83.7 75.6 87.7 97 98 A A > - 0 0 67 -2,-0.4 3,-1.7 1,-0.1 6,-0.4 -0.021 43.5-107.6 -43.3 124.2 82.6 78.3 85.2 98 99 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.401 106.5 51.9 -61.5 113.2 79.2 77.6 83.6 99 100 A G T 3 S+ 0 0 51 1,-0.5 2,-0.1 -2,-0.4 -2,-0.1 0.060 89.1 102.7 143.5 -14.9 79.8 76.6 80.0 100 101 A T S <> S- 0 0 12 -3,-1.7 4,-1.3 -4,-0.1 -1,-0.5 -0.462 85.9-107.6 -93.5 165.0 82.4 73.8 80.8 101 102 A I H > S+ 0 0 2 -14,-1.5 4,-0.7 1,-0.2 -12,-0.2 0.793 121.4 41.4 -61.2 -24.7 82.0 70.0 80.8 102 103 A R H 4 S+ 0 0 21 -14,-1.1 -1,-0.2 -15,-0.3 -13,-0.1 0.910 113.3 46.4 -89.9 -50.4 82.3 70.3 84.6 103 104 A G H 4 S+ 0 0 27 -6,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.574 122.2 41.0 -70.2 -9.6 80.1 73.3 85.5 104 105 A D H < S+ 0 0 72 -4,-1.3 -1,-0.2 -7,-0.1 -2,-0.2 0.665 129.5 25.0-106.6 -29.0 77.4 71.9 83.1 105 106 A F S < S+ 0 0 47 -4,-0.7 8,-0.3 -5,-0.3 2,-0.2 -0.379 108.4 67.4-135.1 58.3 77.7 68.2 84.1 106 107 A G + 0 0 12 -13,-0.2 -10,-0.2 6,-0.1 6,-0.1 -0.781 30.3 171.9-177.8 132.0 79.1 67.9 87.6 107 108 A V S S+ 0 0 106 4,-0.3 2,-0.4 -2,-0.2 5,-0.1 0.396 72.0 57.3-122.6 -0.5 78.1 68.6 91.2 108 109 A S - 0 0 74 3,-0.4 -1,-0.1 1,-0.1 0, 0.0 -0.992 62.0-145.3-140.3 136.5 81.0 66.8 93.1 109 110 A A S S+ 0 0 52 -2,-0.4 3,-0.4 1,-0.2 -1,-0.1 0.711 98.4 69.9 -65.2 -22.4 84.8 67.1 93.1 110 111 A G S S+ 0 0 50 1,-0.3 2,-0.6 -3,-0.0 -1,-0.2 0.998 116.2 12.5 -58.3 -69.7 84.9 63.3 93.7 111 112 A R S S+ 0 0 124 -101,-0.0 2,-0.7 -47,-0.0 -3,-0.4 -0.854 73.5 171.1-116.9 97.7 83.6 62.3 90.3 112 113 A N - 0 0 5 -2,-0.6 -103,-0.2 -3,-0.4 2,-0.2 -0.796 46.9-108.3-109.4 90.5 83.7 65.2 87.8 113 114 A A S S+ 0 0 0 -2,-0.7 -104,-1.8 -8,-0.3 -101,-0.5 0.082 87.5 23.3 25.6 -79.1 82.9 63.9 84.3 114 115 A I E -C 8 0B 0 -106,-0.3 2,-0.3 -26,-0.2 -106,-0.2 -0.602 56.9-146.4-115.4 174.4 86.4 64.2 82.6 115 116 A H E +C 7 0B 36 -108,-2.8 -108,-0.9 -2,-0.2 2,-0.3 -0.968 20.3 174.2-133.6 144.0 90.2 64.4 83.2 116 117 A G E -C 6 0B 7 -2,-0.3 -110,-0.2 -110,-0.2 7,-0.1 -0.934 36.8 -80.9-162.3 136.2 92.8 66.3 81.3 117 118 A S - 0 0 3 -112,-2.0 -32,-0.3 -2,-0.3 3,-0.1 0.267 23.1-155.1 -33.0 141.1 96.5 67.1 81.5 118 119 A D S S+ 0 0 89 1,-0.1 2,-0.2 -33,-0.0 -1,-0.1 0.445 78.6 2.9-103.1 -1.0 97.8 69.9 83.7 119 120 A S S > S- 0 0 67 1,-0.0 4,-1.3 0, 0.0 -1,-0.1 -0.955 82.2 -97.5-168.0 166.9 101.0 70.7 81.7 120 121 A A H > S+ 0 0 62 -2,-0.2 4,-2.0 2,-0.2 -117,-0.1 0.804 125.3 51.0 -64.5 -28.1 102.8 69.4 78.2 121 122 A G H 4 S+ 0 0 48 2,-0.2 -1,-0.2 1,-0.2 5,-0.2 0.925 109.4 45.6 -76.0 -46.9 104.9 67.1 80.4 122 123 A S H >> S+ 0 0 27 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.833 115.1 51.3 -63.5 -29.9 102.0 65.7 82.3 123 124 A A H 3X S+ 0 0 2 -4,-1.3 4,-1.9 1,-0.2 3,-0.5 0.909 106.5 53.1 -71.4 -41.3 100.4 65.4 78.8 124 125 A A H 3< S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.155 114.5 42.2 -82.0 17.3 103.6 63.6 77.5 125 126 A K H <> S+ 0 0 110 -3,-0.8 4,-1.0 3,-0.1 -1,-0.2 0.388 111.2 52.3-133.9 -16.8 103.3 61.0 80.3 126 127 A E H X S+ 0 0 4 -4,-0.9 4,-2.2 -3,-0.5 5,-0.4 0.851 104.2 55.3 -88.2 -45.1 99.6 60.4 80.3 127 128 A I H X S+ 0 0 37 -4,-1.9 4,-4.0 1,-0.2 3,-0.2 0.966 111.6 46.3 -49.9 -56.7 99.3 59.6 76.6 128 129 A G H 4 S+ 0 0 44 -5,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 109.8 50.4 -53.6 -55.2 101.9 56.9 77.0 129 130 A A H < S+ 0 0 81 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.872 125.3 27.5 -54.5 -42.7 100.6 55.2 80.1 130 131 A F H < S+ 0 0 34 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.740 131.7 27.3 -88.8 -44.6 97.1 54.8 78.7 131 132 A F S < S- 0 0 18 -4,-4.0 -3,-0.1 -5,-0.4 -97,-0.0 0.093 70.1-151.4 -92.1-134.5 97.8 54.7 74.9 132 133 A G - 0 0 57 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.011 39.5 -83.8-160.0 -86.8 100.9 53.5 73.2 133 134 A G S S+ 0 0 68 -6,-0.0 -5,-0.0 -5,-0.0 -6,-0.0 0.228 116.1 48.5-177.3 -23.5 102.2 54.7 69.8 134 135 A G S S+ 0 0 72 1,-0.1 -3,-0.0 3,-0.0 0, 0.0 0.684 94.4 70.8-103.7 -25.6 100.4 52.7 67.2 135 136 A E S S+ 0 0 113 2,-0.1 2,-0.5 -102,-0.1 -100,-0.3 0.572 85.1 90.5 -67.6 -9.4 96.8 53.1 68.4 136 137 A A S S- 0 0 39 -102,-0.1 2,-0.3 -103,-0.1 -103,-0.1 -0.801 72.3-143.1 -96.2 124.9 97.1 56.7 67.3 137 138 A A - 0 0 65 -2,-0.5 -2,-0.1 -105,-0.1 -3,-0.0 -0.644 2.0-151.2 -83.2 139.4 96.1 57.7 63.8 138 139 A S + 0 0 109 -2,-0.3 -1,-0.1 -105,-0.1 2,-0.1 -0.214 40.9 156.0-103.3 42.3 98.2 60.3 62.1 139 140 A G - 0 0 47 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.378 43.3-133.1 -72.2 143.1 95.3 61.5 60.0 140 141 A T - 0 0 72 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.912 26.4-127.9 -98.3 112.0 95.3 65.1 58.7 141 142 A P > - 0 0 36 0, 0.0 2,-2.1 0, 0.0 3,-1.8 -0.485 11.6-134.6 -64.1 118.1 91.8 66.5 59.4 142 143 A A T 3 S+ 0 0 96 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.544 99.0 46.0 -77.4 77.9 90.3 68.0 56.2 143 144 A A T > S+ 0 0 40 -2,-2.1 3,-0.6 -114,-0.0 -1,-0.3 0.209 74.4 108.9 165.8 3.5 89.1 71.2 57.8 144 145 A A G X> + 0 0 39 -3,-1.8 4,-1.6 1,-0.2 3,-1.1 0.692 69.6 65.7 -72.0 -21.5 92.2 72.3 59.8 145 146 A A G 34 S+ 0 0 85 1,-0.2 -1,-0.2 -4,-0.2 -3,-0.1 0.793 92.4 61.5 -72.3 -27.7 93.1 75.2 57.5 146 147 A D G <4 S+ 0 0 153 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.327 110.1 42.8 -83.0 11.7 89.9 77.1 58.4 147 148 A I T <4 S+ 0 0 85 -3,-1.1 -2,-0.2 1,-0.2 2,-0.2 0.714 115.4 29.8-118.3 -55.7 91.1 77.2 62.1 148 149 A Y < 0 0 82 -4,-1.6 -1,-0.2 1,-0.1 -71,-0.0 -0.484 360.0 360.0-103.0 178.7 94.8 78.0 62.2 149 150 A G 0 0 131 -2,-0.2 -1,-0.1 -3,-0.1 -4,-0.1 0.324 360.0 360.0-176.1 360.0 97.0 80.1 59.8