==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JAN-08 3C2F . COMPND 2 MOLECULE: NICOTINATE-NUCLEOTIDE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.DI LUCCIO,D.K.WILSON . 267 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 9.0 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 . 17 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 0 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 4 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 2 A P 0 0 186 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.7 18.9 -19.1 15.2 2 3 A V > - 0 0 71 1,-0.1 3,-2.1 0, 0.0 4,-0.2 -0.984 360.0-141.4-122.5 123.8 18.7 -15.3 15.9 3 4 A Y G > S+ 0 0 105 -2,-0.5 3,-2.9 1,-0.3 4,-0.3 0.853 98.1 64.9 -50.4 -44.5 19.0 -14.1 19.5 4 5 A E G > S+ 0 0 87 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.678 85.3 76.0 -57.5 -15.4 16.3 -11.4 19.2 5 6 A H G < S+ 0 0 140 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.599 78.6 73.9 -71.3 -9.2 13.8 -14.3 18.7 6 7 A L G < S+ 0 0 106 -3,-2.9 -1,-0.3 -4,-0.2 -2,-0.2 0.839 83.0 81.4 -70.9 -30.6 14.1 -14.8 22.4 7 8 A L S < S- 0 0 20 -3,-1.2 2,-0.1 -4,-0.3 4,-0.0 -0.590 90.6-118.2 -79.4 129.6 12.0 -11.7 22.8 8 9 A P - 0 0 68 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.446 22.4-117.9 -67.3 138.0 8.2 -12.2 22.5 9 10 A V S S+ 0 0 135 1,-0.1 2,-0.3 -2,-0.1 -2,-0.0 0.862 102.7 12.0 -43.9 -40.3 6.7 -10.3 19.6 10 11 A N S S+ 0 0 109 3,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.993 87.8 103.1-139.9 149.3 4.7 -8.6 22.3 11 12 A G S >> S- 0 0 32 -2,-0.3 3,-1.3 1,-0.1 4,-0.7 -0.948 79.9 -48.0 165.7-176.1 5.0 -8.5 26.0 12 13 A A H >> S+ 0 0 60 -2,-0.3 4,-1.9 1,-0.2 3,-0.8 0.785 116.7 71.2 -50.4 -37.2 6.1 -6.4 28.9 13 14 A W H 3> S+ 0 0 20 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.854 95.8 52.7 -56.1 -34.3 9.5 -5.5 27.5 14 15 A R H <> S+ 0 0 79 -3,-1.3 4,-1.5 1,-0.2 -1,-0.3 0.863 106.8 52.4 -70.1 -30.7 7.9 -3.2 24.9 15 16 A Q H X S+ 0 0 21 -4,-2.1 3,-1.7 1,-0.2 4,-1.1 0.956 109.3 50.4 -66.7 -48.0 10.7 7.3 27.0 22 23 A S H 3< S+ 0 0 69 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.811 102.3 64.4 -56.8 -33.0 8.2 8.8 29.5 23 24 A E H 3< S+ 0 0 159 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.784 106.0 43.3 -60.9 -29.4 11.1 9.0 31.9 24 25 A D H << S+ 0 0 86 -3,-1.7 -1,-0.2 -4,-0.7 -2,-0.2 0.661 121.3 38.8 -91.7 -19.4 12.8 11.4 29.6 25 26 A V < + 0 0 42 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 -0.578 57.6 161.4-132.2 81.0 9.7 13.5 28.8 26 27 A P S S- 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.823 82.7 -8.5 -74.2 -27.5 7.5 14.1 31.8 27 28 A S S S- 0 0 78 1,-0.4 2,-0.3 -5,-0.0 -2,-0.1 0.620 121.8 -5.7-131.4 -61.2 5.7 17.1 30.3 28 29 A F - 0 0 149 4,-0.0 2,-0.6 0, 0.0 -1,-0.4 -0.953 47.7-134.3-135.6 163.7 6.8 18.7 27.1 29 30 A D >> + 0 0 64 -2,-0.3 4,-1.3 1,-0.2 3,-0.7 -0.766 23.3 179.9-115.7 82.2 9.7 18.3 24.7 30 31 A F H 3> S+ 0 0 150 -2,-0.6 4,-1.9 1,-0.3 3,-0.4 0.854 80.1 56.2 -49.9 -42.9 10.8 21.8 24.1 31 32 A G H 3> S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.880 102.8 55.1 -60.1 -39.1 13.6 20.8 21.7 32 33 A G H <> S+ 0 0 6 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.842 106.1 54.3 -62.6 -32.1 11.1 18.9 19.6 33 34 A Y H < S+ 0 0 201 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.923 112.1 41.0 -67.9 -47.5 9.2 22.1 19.2 34 35 A V H < S+ 0 0 119 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.934 118.1 47.0 -68.8 -42.0 12.1 24.1 18.0 35 36 A V H < S- 0 0 50 -4,-2.8 3,-0.4 -5,-0.2 -2,-0.2 0.830 93.2-167.7 -71.4 -32.5 13.4 21.4 15.7 36 37 A G < - 0 0 28 -4,-2.0 63,-2.1 -5,-0.2 64,-0.2 -0.225 35.1 -65.8 77.5-167.9 10.1 20.5 14.1 37 38 A S + 0 0 73 61,-0.2 -1,-0.2 60,-0.1 3,-0.1 0.221 69.5 142.3-111.7 14.1 9.2 17.6 11.9 38 39 A D - 0 0 112 -3,-0.4 60,-2.5 59,-0.2 2,-0.1 -0.298 62.3-102.4 -56.7 138.4 11.2 17.9 8.7 39 40 A L E +A 97 0A 130 58,-0.2 2,-0.3 59,-0.1 -1,-0.1 -0.410 51.5 178.7 -63.7 133.3 12.3 14.5 7.5 40 41 A K E -A 96 0A 83 56,-2.2 56,-1.6 -2,-0.1 2,-0.3 -0.849 24.5-135.5-133.7 170.5 16.0 13.9 8.3 41 42 A E E +A 95 0A 133 -2,-0.3 227,-2.3 54,-0.2 2,-0.3 -0.861 26.1 172.1-121.2 157.1 18.7 11.3 8.0 42 43 A A E -AB 94 267A 2 52,-1.5 52,-3.0 -2,-0.3 2,-0.4 -0.983 23.9-132.9-163.0 157.4 21.2 10.3 10.7 43 44 A N E -AB 93 266A 50 223,-1.8 223,-1.8 -2,-0.3 2,-0.6 -0.925 13.0-141.1-118.3 142.1 23.9 7.8 11.4 44 45 A L E -AB 92 265A 0 48,-2.6 47,-2.8 -2,-0.4 48,-0.8 -0.912 28.3-156.4-101.0 121.4 24.3 5.8 14.6 45 46 A Y E -AB 90 264A 54 219,-3.9 219,-2.2 -2,-0.6 2,-0.5 -0.754 18.5-150.6-106.7 149.3 28.0 5.5 15.5 46 47 A C E -AB 89 263A 1 43,-1.8 43,-1.1 -2,-0.3 217,-0.2 -0.961 14.8-178.0-109.4 126.3 30.0 3.1 17.6 47 48 A K + 0 0 100 215,-3.2 2,-0.3 -2,-0.5 216,-0.2 0.309 59.4 49.0-110.8 6.7 33.0 4.9 19.0 48 49 A Q S S- 0 0 78 214,-0.6 2,-0.2 41,-0.1 31,-0.1 -0.997 87.8 -97.1-147.1 151.0 34.8 2.1 20.8 49 50 A D S S+ 0 0 73 -2,-0.3 2,-0.3 32,-0.2 31,-0.2 -0.472 72.3 94.1 -67.8 127.6 35.9 -1.4 20.1 50 51 A G E S-D 79 0B 1 29,-2.3 29,-2.2 -2,-0.2 2,-0.3 -0.953 73.7 -56.9 168.3 176.1 33.5 -4.0 21.3 51 52 A M E -D 78 0B 8 65,-0.4 2,-0.6 -2,-0.3 69,-0.4 -0.623 47.9-120.9 -84.9 136.4 30.5 -6.3 20.5 52 53 A L + 0 0 0 25,-2.7 24,-2.7 -2,-0.3 2,-0.3 -0.629 45.8 160.1 -75.6 116.4 27.3 -4.8 19.2 53 54 A C + 0 0 0 -2,-0.6 63,-0.5 59,-0.3 62,-0.2 -0.994 39.9 49.8-142.0 147.4 24.4 -5.7 21.5 54 55 A G > + 0 0 0 -2,-0.3 4,-2.7 61,-0.2 5,-0.3 0.556 57.6 141.1 106.2 12.5 20.9 -4.3 22.2 55 56 A V H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.933 71.4 46.3 -53.4 -58.8 19.5 -4.1 18.6 56 57 A P H > S+ 0 0 10 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.863 115.3 50.1 -56.7 -32.3 15.9 -5.3 19.2 57 58 A F H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.955 114.4 40.8 -70.6 -49.8 15.7 -3.0 22.2 58 59 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.838 113.0 57.4 -66.2 -31.9 17.0 0.1 20.4 59 60 A Q H X S+ 0 0 45 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.892 105.0 50.4 -64.3 -39.6 14.9 -1.0 17.4 60 61 A E H X S+ 0 0 10 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.850 107.8 53.3 -67.3 -34.0 11.8 -0.9 19.6 61 62 A V H X S+ 0 0 0 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.932 112.3 45.3 -64.5 -44.4 12.8 2.6 20.8 62 63 A F H <>S+ 0 0 0 -4,-2.3 5,-1.5 1,-0.2 -2,-0.2 0.845 109.9 54.0 -68.4 -35.8 13.0 3.6 17.1 63 64 A N H ><5S+ 0 0 75 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.925 107.8 49.1 -65.2 -44.7 9.7 2.0 16.2 64 65 A Q H 3<5S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 109.2 54.0 -68.5 -18.3 7.8 3.8 18.9 65 66 A C T 3<5S- 0 0 7 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.330 115.9-120.7 -94.8 6.7 9.4 7.0 17.7 66 67 A E T < 5 + 0 0 153 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.954 61.5 142.5 53.8 62.3 8.1 6.2 14.2 67 68 A L < - 0 0 15 -5,-1.5 2,-0.5 29,-0.1 29,-0.2 -0.750 51.7-121.8-123.8 170.2 11.4 6.1 12.4 68 69 A Q E -C 95 0A 126 27,-2.6 27,-1.9 -2,-0.2 2,-0.4 -0.973 32.1-171.3-118.5 117.0 12.9 4.0 9.6 69 70 A V E -C 94 0A 33 -2,-0.5 2,-0.5 25,-0.2 25,-0.2 -0.883 15.5-167.3-115.0 142.7 16.1 2.2 10.6 70 71 A E E -C 93 0A 107 23,-2.4 23,-2.5 -2,-0.4 2,-0.5 -0.969 15.7-149.9-127.3 110.9 18.6 0.3 8.5 71 72 A W E -C 92 0A 54 -2,-0.5 21,-0.3 21,-0.2 20,-0.1 -0.731 8.8-167.4 -86.1 124.7 21.1 -1.8 10.5 72 73 A L S S+ 0 0 64 19,-1.9 2,-0.3 -2,-0.5 20,-0.2 0.574 72.9 43.7 -85.4 -12.5 24.5 -2.2 8.8 73 74 A F S S- 0 0 81 18,-0.9 2,-0.2 4,-0.0 -1,-0.1 -0.978 82.6-115.6-135.7 149.8 25.6 -4.9 11.2 74 75 A K > - 0 0 161 -2,-0.3 3,-2.2 1,-0.1 -22,-0.2 -0.550 44.4 -98.8 -79.2 144.5 24.1 -8.0 12.7 75 76 A E T 3 S+ 0 0 36 1,-0.3 -22,-0.2 -2,-0.2 -72,-0.1 -0.418 114.1 39.0 -60.7 138.4 23.7 -8.0 16.5 76 77 A G T 3 S+ 0 0 29 -24,-2.7 -1,-0.3 1,-0.4 -23,-0.1 0.145 84.0 135.2 104.8 -18.3 26.6 -10.0 17.9 77 78 A S < - 0 0 37 -3,-2.2 -25,-2.7 -25,-0.2 2,-0.8 -0.325 58.5-123.1 -64.1 143.6 29.1 -8.5 15.4 78 79 A F E -D 51 0B 94 -27,-0.2 2,-0.3 -3,-0.1 -27,-0.2 -0.811 29.1-157.4 -94.4 110.1 32.5 -7.4 16.8 79 80 A L E -D 50 0B 5 -29,-2.2 -29,-2.3 -2,-0.8 10,-0.0 -0.682 14.0-175.3 -89.7 139.0 33.0 -3.7 15.9 80 81 A E > + 0 0 104 -2,-0.3 2,-4.0 -31,-0.2 3,-0.8 -0.589 12.9 178.5-132.9 75.4 36.4 -2.1 15.7 81 82 A P T 3 + 0 0 9 0, 0.0 -32,-0.2 0, 0.0 8,-0.1 -0.495 45.4 130.6 -69.1 72.5 36.3 1.7 15.1 82 83 A S T 3 + 0 0 80 -2,-4.0 2,-0.3 -34,-0.1 -33,-0.0 0.760 37.5 95.7 -94.7 -45.6 40.0 1.1 15.4 83 84 A K X> - 0 0 86 -3,-0.8 4,-2.3 1,-0.2 3,-1.3 -0.314 66.4-156.8 -44.1 112.0 40.6 3.0 12.2 84 85 A N T 34 S+ 0 0 135 1,-0.3 -1,-0.2 -2,-0.3 -2,-0.0 0.411 71.7 103.9 -83.5 0.6 41.4 6.5 13.4 85 86 A D T 34 S- 0 0 143 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.909 122.6 -21.7 -46.1 -41.0 40.3 7.9 10.0 86 87 A S T <4 S- 0 0 53 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.456 78.0-132.6-140.2 -28.5 37.3 8.7 12.2 87 88 A G S < S+ 0 0 24 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.581 79.5 94.9 76.1 8.6 37.5 6.4 15.2 88 89 A K - 0 0 70 -5,-0.3 -1,-0.3 -8,-0.1 2,-0.3 -0.830 58.4-156.4-127.6 165.3 33.8 5.8 14.6 89 90 A I E -A 46 0A 27 -43,-1.1 -43,-1.8 -2,-0.3 2,-0.5 -0.951 19.6-130.6-147.1 123.0 31.6 3.3 12.7 90 91 A V E +A 45 0A 46 -2,-0.3 -45,-0.2 -45,-0.2 3,-0.1 -0.613 29.5 170.2 -74.6 119.0 28.1 3.7 11.3 91 92 A V E + 0 0 0 -47,-2.8 -19,-1.9 -2,-0.5 -18,-0.9 0.467 65.2 15.9-107.6 -5.8 26.1 0.7 12.5 92 93 A A E -AC 44 71A 0 -48,-0.8 -48,-2.6 -21,-0.3 2,-0.4 -0.940 59.6-143.5-167.1 143.4 22.7 2.1 11.4 93 94 A K E -AC 43 70A 85 -23,-2.5 -23,-2.4 -2,-0.3 2,-0.3 -0.931 24.7-163.9-110.8 133.5 21.1 4.7 9.2 94 95 A I E -AC 42 69A 1 -52,-3.0 -52,-1.5 -2,-0.4 2,-0.3 -0.910 10.0-174.9-122.4 148.3 17.9 6.4 10.5 95 96 A T E +AC 41 68A 46 -27,-1.9 -27,-2.6 -2,-0.3 -54,-0.2 -0.998 30.9 92.0-140.5 142.4 15.2 8.5 8.8 96 97 A G E S-A 40 0A 0 -56,-1.6 -56,-2.2 -2,-0.3 -29,-0.1 -0.901 75.5 -28.2 158.4 175.6 12.2 10.3 10.2 97 98 A P E >> -A 39 0A 29 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.263 60.8-120.9 -54.2 135.4 10.9 13.7 11.5 98 99 A A H 3> S+ 0 0 0 -60,-2.5 4,-2.1 1,-0.2 -61,-0.2 0.887 111.2 50.7 -43.2 -53.9 13.8 15.6 13.1 99 100 A K H 3> S+ 0 0 81 -63,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.879 106.4 54.6 -56.2 -41.3 12.1 15.8 16.5 100 101 A N H <> S+ 0 0 17 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.915 107.8 51.2 -60.6 -46.2 11.4 12.0 16.6 101 102 A I H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.934 110.8 46.9 -53.1 -51.6 15.1 11.4 16.0 102 103 A L H X S+ 0 0 71 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.818 110.8 51.7 -63.8 -34.8 16.1 13.6 18.8 103 104 A L H X S+ 0 0 50 -4,-2.4 4,-0.5 -5,-0.2 3,-0.3 0.924 112.9 45.5 -58.1 -55.0 13.6 12.1 21.3 104 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.795 96.5 83.9 -48.7 -36.6 14.8 8.6 20.5 105 106 A E H X S+ 0 0 37 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.839 88.9 38.5 -49.9 -59.6 18.4 9.5 20.7 106 107 A R H X S+ 0 0 111 -4,-0.5 4,-1.9 -3,-0.3 -1,-0.2 0.904 117.4 48.7 -72.5 -41.2 19.4 9.4 24.3 107 108 A T H X S+ 0 0 13 -4,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.901 112.5 47.0 -57.6 -48.9 17.3 6.4 25.2 108 109 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 114.1 48.5 -62.8 -42.8 18.5 4.2 22.3 109 110 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.849 108.6 53.2 -66.6 -35.3 22.2 5.2 23.0 110 111 A N H X S+ 0 0 63 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.782 111.7 47.5 -70.4 -26.6 21.8 4.4 26.7 111 112 A I H X S+ 0 0 7 -4,-1.3 4,-2.8 -3,-0.2 5,-0.3 0.949 115.1 43.3 -75.7 -52.7 20.5 1.0 25.8 112 113 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.913 110.4 54.4 -59.6 -48.9 23.2 0.2 23.2 113 114 A S H X S+ 0 0 11 -4,-2.6 148,-2.1 1,-0.2 4,-1.4 0.922 117.8 35.5 -53.2 -50.4 26.1 1.5 25.3 114 115 A R H X S+ 0 0 120 -4,-1.0 4,-2.1 -5,-0.2 -1,-0.2 0.877 118.3 49.9 -72.9 -42.2 25.2 -0.7 28.3 115 116 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -61,-0.2 0.944 114.1 46.1 -63.5 -46.2 24.0 -3.7 26.3 116 117 A S H X S+ 0 0 0 -4,-3.4 4,-2.5 -63,-0.5 -65,-0.4 0.848 109.9 56.5 -64.0 -32.9 27.2 -3.6 24.2 117 118 A G H X S+ 0 0 4 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.898 109.5 43.0 -66.5 -41.9 29.2 -3.3 27.4 118 119 A I H X S+ 0 0 4 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138 139 A I E -e 249 0C 9 -2,-0.3 24,-2.3 22,-0.2 2,-0.2 -0.985 28.2-172.2-116.7 116.2 30.9 -19.3 32.4 139 140 A A E -ef 250 162C 1 110,-2.6 112,-2.0 -2,-0.5 24,-0.2 -0.662 16.9-135.5-112.6 167.5 27.8 -17.9 33.9 140 141 A G - 0 0 1 22,-0.6 2,-0.2 -2,-0.2 112,-0.2 -0.108 23.5-123.4 -99.6-159.4 26.5 -14.5 35.2 141 142 A T - 0 0 27 110,-0.2 -1,-0.1 2,-0.1 110,-0.0 -0.730 24.8-102.5-138.6-174.1 24.6 -13.7 38.4 142 143 A R S S+ 0 0 103 -2,-0.2 2,-2.0 1,-0.1 7,-0.0 0.233 88.2 106.5 -96.8 9.0 21.4 -12.1 39.8 143 144 A K + 0 0 120 3,-0.0 2,-0.2 2,-0.0 113,-0.1 -0.600 53.5 142.2 -89.1 74.7 23.3 -9.0 40.7 144 145 A T - 0 0 20 -2,-2.0 5,-0.1 112,-0.1 -2,-0.1 -0.644 63.4 -82.5-111.0 168.8 21.7 -7.2 37.8 145 146 A T > - 0 0 71 -2,-0.2 3,-2.6 3,-0.2 4,-0.2 -0.629 57.1-102.1 -74.9 125.4 20.5 -3.6 37.6 146 147 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.208 105.7 9.2 -50.7 126.6 17.0 -3.3 39.2 147 148 A G T 3 S+ 0 0 69 1,-0.0 3,-0.2 -3,-0.0 -2,-0.1 0.237 117.5 77.8 85.9 -13.6 14.4 -3.1 36.5 148 149 A L <> + 0 0 31 -3,-2.6 4,-2.0 1,-0.1 5,-0.2 0.195 53.0 115.8-113.6 17.6 16.9 -3.9 33.7 149 150 A R H > S+ 0 0 60 -4,-0.2 4,-2.2 1,-0.2 5,-0.3 0.856 72.2 54.7 -55.5 -42.4 17.2 -7.7 34.2 150 151 A R H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.963 112.1 44.0 -57.2 -52.8 15.7 -8.7 30.8 151 152 A L H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.848 114.4 47.8 -60.3 -41.1 18.2 -6.6 28.9 152 153 A E H X S+ 0 0 9 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.886 113.1 46.2 -72.3 -39.3 21.3 -7.5 30.8 153 154 A K H X S+ 0 0 5 -4,-2.2 4,-2.0 -5,-0.2 3,-0.5 0.928 112.3 52.4 -66.3 -45.7 20.7 -11.3 30.8 154 155 A Y H X S+ 0 0 9 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.879 107.8 51.8 -56.2 -40.7 19.9 -11.0 27.1 155 156 A S H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -1,-0.3 0.797 104.8 57.2 -67.7 -28.4 23.2 -9.2 26.6 156 157 A M H X>S+ 0 0 0 -4,-1.2 5,-2.0 -3,-0.5 4,-0.6 0.937 106.5 48.8 -66.8 -46.5 25.0 -12.0 28.5 157 158 A L H ><5S+ 0 0 55 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.909 108.0 52.2 -60.4 -46.3 23.7 -14.6 26.0 158 159 A V H 3<5S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 106.1 57.1 -61.6 -29.2 24.7 -12.6 22.9 159 160 A G H 3<5S- 0 0 4 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.637 122.9-103.8 -76.8 -15.1 28.2 -12.3 24.4 160 161 A G T <<5S+ 0 0 42 -3,-1.4 2,-0.3 -4,-0.6 -22,-0.2 0.489 81.4 117.9 105.6 4.4 28.6 -16.1 24.6 161 162 A C < - 0 0 5 -5,-2.0 -1,-0.4 -6,-0.1 -22,-0.2 -0.703 65.4-109.2-103.2 154.8 28.0 -16.5 28.4 162 163 A D B -f 139 0C 75 -24,-2.3 -22,-0.6 -2,-0.3 -1,-0.1 -0.362 17.1-144.7 -66.7 157.2 25.4 -18.4 30.4 163 164 A T - 0 0 28 -24,-0.2 -1,-0.1 1,-0.2 -24,-0.1 0.627 27.1-149.1 -99.6 -15.9 22.8 -16.4 32.3 164 165 A H - 0 0 26 -26,-0.1 -1,-0.2 -22,-0.0 -23,-0.1 -0.196 58.7 -13.8 61.9-170.5 22.5 -18.7 35.2 165 166 A R - 0 0 26 -25,-0.1 3,-0.1 1,-0.1 8,-0.0 -0.302 61.4-146.2 -54.0 132.3 19.1 -18.7 36.9 166 167 A Y - 0 0 78 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.953 68.0 -27.8 -66.4 -48.0 16.9 -15.8 35.9 167 168 A D S >> S- 0 0 47 4,-0.0 3,-0.7 0, 0.0 4,-0.7 -0.680 78.3 -70.3-149.8-163.3 15.1 -15.3 39.2 168 169 A L T 34 S+ 0 0 112 1,-0.2 5,-0.1 -2,-0.2 -3,-0.0 0.588 126.5 52.8 -83.1 -11.7 13.9 -17.0 42.4 169 170 A S T 34 S+ 0 0 111 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.392 100.6 71.5 -98.8 4.2 11.3 -18.9 40.7 170 171 A S T <4 S- 0 0 46 -3,-0.7 2,-0.4 1,-0.3 31,-0.2 0.948 108.8 -6.5 -91.6 -63.0 13.7 -20.3 38.2 171 172 A M S < S- 0 0 29 -4,-0.7 -1,-0.3 29,-0.1 2,-0.3 -0.984 80.6-110.5-136.0 135.8 16.2 -22.9 39.5 172 173 A V E -g 202 0C 32 29,-3.3 31,-3.5 -2,-0.4 2,-0.6 -0.519 28.8-163.4 -76.0 134.2 16.2 -23.5 43.2 173 174 A M E -g 203 0C 36 -2,-0.3 2,-0.2 29,-0.2 31,-0.2 -0.881 7.9-169.4-120.3 103.8 19.2 -22.3 45.1 174 175 A L E +g 204 0C 11 29,-3.6 31,-2.3 -2,-0.6 2,-0.2 -0.638 10.2 167.1 -93.2 147.6 19.7 -23.8 48.6 175 176 A K > - 0 0 56 -2,-0.2 4,-2.8 29,-0.2 3,-0.2 -0.741 53.1 -73.9-140.8-172.2 22.2 -22.7 51.2 176 177 A D H > S+ 0 0 56 1,-0.2 4,-4.0 -2,-0.2 5,-0.4 0.907 125.0 58.4 -56.8 -46.4 23.0 -23.1 54.9 177 178 A N H > S+ 0 0 103 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.904 112.3 41.2 -51.1 -45.4 20.1 -20.9 56.0 178 179 A H H > S+ 0 0 75 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 116.4 48.5 -69.3 -46.0 17.8 -23.3 54.2 179 180 A I H X S+ 0 0 21 -4,-2.8 4,-0.9 1,-0.2 5,-0.3 0.869 112.5 48.6 -62.9 -38.0 19.7 -26.4 55.4 180 181 A W H < S+ 0 0 180 -4,-4.0 -1,-0.2 -5,-0.2 -2,-0.2 0.872 109.7 54.6 -68.7 -36.6 19.7 -25.2 59.0 181 182 A A H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.4 -1,-0.2 0.885 115.7 35.4 -64.2 -42.8 16.0 -24.5 58.7 182 183 A T H < S- 0 0 43 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.524 112.5-115.7 -90.4 -6.9 15.1 -28.0 57.6 183 184 A G S < S+ 0 0 63 -4,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.167 83.9 25.7 94.7 -19.5 17.7 -29.6 59.8 184 185 A S S > S- 0 0 28 -5,-0.3 4,-2.7 -6,-0.2 5,-0.2 -0.986 77.2-108.8-168.6 161.2 19.7 -31.1 57.0 185 186 A I H > S+ 0 0 5 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.945 120.1 54.2 -59.3 -47.9 20.7 -30.8 53.3 186 187 A T H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 111.5 44.6 -54.0 -42.6 18.6 -33.9 52.6 187 188 A N H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.893 111.0 52.6 -71.1 -40.6 15.6 -32.3 54.2 188 189 A A H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.925 112.2 46.8 -61.1 -42.9 16.2 -28.9 52.5 189 190 A V H X S+ 0 0 1 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.910 109.4 53.2 -66.2 -43.4 16.3 -30.7 49.1 190 191 A K H X S+ 0 0 116 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.925 113.5 43.0 -57.5 -46.7 13.2 -32.8 49.8 191 192 A N H X S+ 0 0 94 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.905 114.0 51.0 -66.8 -41.4 11.2 -29.7 50.6 192 193 A A H >X S+ 0 0 10 -4,-2.4 4,-2.4 -5,-0.2 3,-0.8 0.946 112.7 46.7 -61.0 -45.9 12.6 -27.8 47.7 193 194 A R H 3X S+ 0 0 74 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.898 103.4 62.8 -62.5 -42.5 11.7 -30.7 45.4 194 195 A A H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.772 116.3 29.5 -55.1 -28.7 8.2 -31.0 46.8 195 196 A V H << S+ 0 0 130 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.782 124.9 40.4-104.6 -33.5 7.4 -27.5 45.6 196 197 A C H < S- 0 0 31 -4,-2.4 3,-0.3 -5,-0.2 4,-0.3 0.842 92.1-170.3 -84.1 -33.6 9.5 -26.9 42.5 197 198 A G < - 0 0 25 -4,-2.2 3,-0.4 -5,-0.4 -1,-0.1 -0.313 42.9 -42.1 80.5-162.9 9.0 -30.4 41.1 198 199 A F S S+ 0 0 194 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.811 125.0 64.4 -76.6 -33.2 10.7 -32.2 38.2 199 200 A A S S+ 0 0 87 -3,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.663 98.0 61.4 -67.0 -18.4 10.7 -29.3 35.7 200 201 A V S S- 0 0 25 -3,-0.4 -29,-0.1 -4,-0.3 -1,-0.1 -0.941 80.0-126.6-120.8 130.3 13.0 -27.1 37.8 201 202 A K - 0 0 104 -2,-0.5 -29,-3.3 -31,-0.2 2,-0.4 -0.234 14.9-143.7 -67.6 154.4 16.6 -27.8 38.9 202 203 A I E -g 172 0C 0 -31,-0.2 19,-2.3 17,-0.2 20,-1.8 -0.982 13.8-166.7-121.1 126.3 17.8 -27.6 42.5 203 204 A E E -gh 173 222C 1 -31,-3.5 -29,-3.6 -2,-0.4 2,-0.4 -0.919 2.3-159.7-115.9 143.1 21.3 -26.3 43.4 204 205 A V E -gh 174 223C 0 18,-1.9 20,-2.7 -2,-0.4 2,-1.0 -0.976 16.2-137.9-127.9 126.6 23.1 -26.6 46.8 205 206 A E E - h 0 224C 59 -31,-2.3 2,-0.3 -2,-0.4 20,-0.2 -0.675 33.9-173.3 -80.6 103.9 25.9 -24.5 48.1 206 207 A C E - h 0 225C 0 18,-2.6 20,-2.0 -2,-1.0 3,-0.1 -0.772 26.4-166.4-104.3 147.2 28.2 -27.2 49.8 207 208 A L S S+ 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