==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-DEC-12 4I9A . COMPND 2 MOLECULE: QUINOLINATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR H.-S.YOUN,M.-K.KIM,K.B.KANG,T.G.KIM,J.-G.LEE,J.Y.AN,K.R.PARK . 576 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 8.3 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 . 26 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 5 0 0 2 0 2 4 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 0 6 2 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 PARALLEL BRIDGES PER LADDER . 0 2 0 2 2 0 0 2 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 . 2 0 2 0 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 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 0 197 0, 0.0 5,-0.1 0, 0.0 155,-0.1 0.000 360.0 360.0 360.0-108.1 17.5 94.5 8.0 2 2 A D >> - 0 0 87 1,-0.1 3,-1.4 3,-0.1 4,-0.6 -0.171 360.0-128.1 -48.1 126.5 15.3 94.9 4.9 3 3 A P G >4 S+ 0 0 31 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.716 100.2 61.2 -55.2 -31.3 11.8 93.9 6.0 4 4 A E G >4 S+ 0 0 111 1,-0.2 3,-0.5 2,-0.1 4,-0.1 0.744 100.5 53.5 -75.7 -24.8 11.1 91.4 3.2 5 5 A G G X4 S+ 0 0 36 -3,-1.4 3,-1.7 1,-0.2 -1,-0.2 0.656 87.6 81.4 -81.8 -17.2 13.9 89.1 4.2 6 6 A L G X< S+ 0 0 17 -4,-0.6 3,-1.8 -3,-0.5 -1,-0.2 0.733 73.9 73.7 -62.2 -27.1 12.8 88.8 7.8 7 7 A A G X S+ 0 0 38 -3,-0.5 3,-1.5 -4,-0.3 -1,-0.3 0.719 81.9 73.3 -56.8 -23.0 10.2 86.2 6.9 8 8 A L G < S+ 0 0 158 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.631 81.7 72.3 -67.1 -13.6 13.1 83.7 6.5 9 9 A L G < S+ 0 0 105 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.656 84.9 79.4 -72.7 -13.1 13.4 83.8 10.3 10 10 A L S < S- 0 0 17 -3,-1.5 -1,-0.1 -4,-0.1 5,-0.0 -0.844 74.3-138.4-112.0 112.8 10.2 81.7 10.7 11 11 A P >> - 0 0 72 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.433 20.2-130.9 -64.9 134.4 10.1 77.9 10.3 12 12 A P H 3> S+ 0 0 107 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.896 106.1 54.0 -57.1 -46.6 6.9 76.9 8.3 13 13 A A H 3> S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.845 106.2 54.6 -53.3 -39.3 5.9 74.2 10.8 14 14 A T H <> S+ 0 0 54 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.905 109.3 47.1 -59.8 -41.6 6.1 76.8 13.6 15 15 A L H X S+ 0 0 17 -4,-1.6 4,-2.7 -3,-0.4 -2,-0.2 0.902 112.8 48.4 -69.5 -39.7 3.7 79.1 11.8 16 16 A A H X S+ 0 0 34 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.942 111.2 48.8 -66.5 -46.3 1.3 76.3 11.0 17 17 A T H X S+ 0 0 88 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 114.4 47.6 -62.3 -40.0 1.2 75.0 14.6 18 18 A L H X S+ 0 0 33 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.918 109.9 50.2 -64.1 -46.3 0.7 78.6 15.8 19 19 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.910 109.7 54.8 -61.7 -38.5 -2.1 79.3 13.3 20 20 A D H X S+ 0 0 85 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.916 105.7 48.7 -59.1 -48.1 -3.7 76.1 14.4 21 21 A S H X S+ 0 0 55 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.918 111.2 52.1 -60.5 -38.9 -3.8 77.0 18.2 22 22 A W H X S+ 0 0 5 -4,-2.0 4,-1.7 1,-0.2 410,-0.2 0.917 111.0 45.1 -64.2 -46.0 -5.3 80.4 17.3 23 23 A L H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.874 111.4 53.6 -64.7 -40.2 -8.2 79.0 15.2 24 24 A R H < S+ 0 0 180 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.927 107.6 51.9 -59.3 -46.3 -8.8 76.3 17.9 25 25 A E H < S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.909 113.9 43.7 -50.6 -44.5 -9.1 79.1 20.4 26 26 A D H < S+ 0 0 0 -4,-1.7 427,-1.9 1,-0.3 428,-0.2 0.768 133.8 13.4 -82.9 -26.2 -11.6 81.0 18.2 27 27 A C < + 0 0 19 -4,-2.3 -1,-0.3 425,-0.2 -2,-0.1 -0.658 66.3 172.3-147.4 84.8 -13.8 78.0 17.2 28 28 A P S S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.696 74.1 0.6 -77.6 -14.0 -13.0 75.0 19.4 29 29 A G S S+ 0 0 62 1,-0.4 2,-0.2 -5,-0.0 -2,-0.1 0.217 116.0 5.3-131.8-110.2 -15.9 72.8 18.0 30 30 A L - 0 0 150 424,-0.1 -1,-0.4 1,-0.0 0, 0.0 -0.582 51.0-140.5 -88.4 153.3 -18.5 73.5 15.4 31 31 A N > + 0 0 32 -2,-0.2 3,-2.1 1,-0.2 4,-0.3 -0.708 22.1 179.0-110.7 77.3 -18.8 76.5 13.2 32 32 A P T > S+ 0 0 24 0, 0.0 3,-2.6 0, 0.0 4,-0.3 0.863 74.4 62.8 -46.3 -48.7 -22.6 77.2 13.0 33 33 A V T >> S+ 0 0 5 420,-0.4 4,-1.0 1,-0.3 3,-0.7 0.579 81.9 81.5 -60.5 -11.6 -22.4 80.3 10.8 34 34 A A H <> S+ 0 0 19 -3,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.819 86.4 58.9 -59.2 -29.4 -21.0 78.2 8.0 35 35 A L H <4 S+ 0 0 121 -3,-2.6 -1,-0.2 -4,-0.3 -2,-0.2 0.806 97.3 61.2 -70.6 -27.2 -24.6 77.2 7.3 36 36 A V H <4 S+ 0 0 9 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.866 120.0 21.2 -65.7 -35.6 -25.4 80.9 6.8 37 37 A T H < S- 0 0 18 -4,-1.0 3,-0.4 -3,-0.3 -2,-0.2 0.756 90.1-150.6-106.5 -28.9 -23.0 81.3 3.8 38 38 A G < - 0 0 32 -4,-2.4 57,-1.1 -5,-0.2 -1,-0.1 -0.284 37.4 -74.3 73.1-170.2 -22.3 77.9 2.4 39 39 A A + 0 0 55 55,-0.2 -1,-0.2 54,-0.1 3,-0.1 0.118 68.5 146.6-117.3 17.1 -19.0 77.0 0.6 40 40 A A - 0 0 62 -3,-0.4 54,-2.4 53,-0.2 52,-0.1 -0.256 63.4 -94.4 -58.0 141.8 -19.1 78.7 -2.8 41 41 A P E +A 93 0A 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.384 59.3 177.5 -63.4 132.7 -15.7 79.9 -3.9 42 42 A S E -A 92 0A 20 50,-2.8 50,-1.9 -3,-0.1 2,-0.4 -0.831 24.6-142.7-136.7 168.8 -15.3 83.5 -2.9 43 43 A Q E -A 91 0A 45 243,-0.5 243,-2.6 -2,-0.3 2,-0.3 -0.998 15.3-180.0-138.3 138.4 -12.9 86.4 -2.9 44 44 A A E -AB 90 285A 0 46,-2.8 46,-3.2 -2,-0.4 2,-0.4 -0.956 18.4-137.5-132.2 157.0 -12.2 89.1 -0.3 45 45 A V E -AB 89 284A 10 239,-2.0 239,-1.8 -2,-0.3 2,-0.6 -0.937 14.6-134.2-113.2 137.5 -9.8 92.1 -0.1 46 46 A L E -AB 88 283A 0 42,-3.1 41,-1.8 -2,-0.4 42,-1.1 -0.815 25.8-162.3 -88.5 118.9 -7.8 93.1 2.9 47 47 A W E -AB 86 282A 71 235,-2.4 235,-2.0 -2,-0.6 2,-0.6 -0.879 12.7-142.2-107.1 132.0 -8.2 96.8 3.4 48 48 A A E +AB 85 281A 0 37,-2.7 37,-1.1 -2,-0.4 36,-0.5 -0.848 22.2 173.9 -90.6 116.9 -5.8 98.9 5.6 49 49 A K + 0 0 88 231,-2.9 232,-0.2 -2,-0.6 -1,-0.1 0.560 60.7 58.0-101.1 -11.4 -7.8 101.6 7.4 50 50 A S S S- 0 0 23 230,-1.0 2,-0.2 32,-0.1 229,-0.1 -0.862 84.9-112.7-113.7 153.5 -5.0 102.9 9.7 51 51 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 31,-0.2 -0.519 67.3 78.1 -77.3 149.4 -1.6 104.4 8.8 52 52 A G E S-D 81 0B 13 29,-1.8 29,-4.0 -2,-0.2 2,-0.4 -0.994 78.5 -37.7 156.2-141.8 1.6 102.6 9.7 53 53 A I E -D 80 0B 6 59,-0.6 2,-0.4 -2,-0.3 63,-0.3 -0.979 47.8-122.4-129.8 126.6 3.7 99.7 8.6 54 54 A L + 0 0 0 25,-3.1 24,-2.5 -2,-0.4 2,-0.3 -0.556 42.4 161.0 -69.9 123.2 2.5 96.3 7.2 55 55 A A + 0 0 0 -2,-0.4 57,-0.2 53,-0.3 56,-0.1 -0.975 40.4 48.8-143.4 134.9 3.8 93.4 9.3 56 56 A G > + 0 0 0 -2,-0.3 4,-2.3 55,-0.2 3,-0.4 0.484 48.1 140.4 123.9 6.5 2.7 89.8 9.7 57 57 A R H > S+ 0 0 72 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.874 73.9 54.9 -44.1 -49.3 2.3 88.2 6.2 58 58 A P H > S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.912 112.1 42.1 -59.9 -42.6 3.8 84.9 7.2 59 59 A F H > S+ 0 0 1 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.895 115.1 53.0 -63.5 -38.8 1.4 84.3 10.1 60 60 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.907 109.4 45.6 -65.4 -47.8 -1.4 85.6 8.0 61 61 A D H X S+ 0 0 55 -4,-3.2 4,-2.1 -5,-0.2 -1,-0.2 0.911 112.3 54.3 -60.9 -40.2 -0.8 83.2 5.1 62 62 A A H X S+ 0 0 15 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.895 106.6 49.9 -63.3 -43.4 -0.4 80.4 7.6 63 63 A I H >X S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.7 0.967 113.2 45.7 -58.2 -54.0 -3.8 81.1 9.2 64 64 A F H ><>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 3,-0.6 0.808 107.5 57.8 -63.4 -29.9 -5.6 81.1 5.9 65 65 A A H ><5S+ 0 0 57 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.827 98.6 61.4 -67.4 -30.8 -3.8 78.0 4.7 66 66 A Q H <<5S+ 0 0 81 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.710 108.8 42.3 -65.2 -24.8 -5.2 76.1 7.8 67 67 A V T <<5S- 0 0 16 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 -0.028 122.8-106.1-109.8 31.1 -8.7 76.8 6.4 68 68 A N T < 5S+ 0 0 125 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.861 76.9 130.1 52.4 47.0 -7.7 76.0 2.8 69 69 A C < - 0 0 4 -5,-2.4 2,-0.3 -8,-0.2 23,-0.2 -0.904 46.3-139.2-125.7 154.3 -7.6 79.6 1.5 70 70 A Q E -C 91 0A 102 21,-2.7 21,-2.6 -2,-0.3 2,-0.4 -0.894 8.3-150.9-118.6 149.7 -5.0 81.4 -0.5 71 71 A V E -C 90 0A 27 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.954 3.1-162.2-122.6 134.3 -3.7 85.0 -0.2 72 72 A S E -C 89 0A 40 17,-3.1 17,-2.5 -2,-0.4 2,-0.4 -0.967 18.7-144.2-113.6 128.1 -2.2 87.3 -2.9 73 73 A W E +C 88 0A 38 -2,-0.5 15,-0.2 15,-0.2 14,-0.1 -0.745 24.8 177.7-101.6 132.6 -0.2 90.3 -1.6 74 74 A F S S+ 0 0 102 13,-2.4 14,-0.2 -2,-0.4 -1,-0.1 0.697 75.6 52.8 -98.2 -24.6 -0.1 93.8 -3.2 75 75 A L S S- 0 0 45 12,-1.1 -1,-0.1 4,-0.1 2,-0.1 -0.911 83.5-125.8-112.1 137.9 2.1 95.3 -0.6 76 76 A P > - 0 0 42 0, 0.0 3,-1.7 0, 0.0 -22,-0.2 -0.429 42.7 -83.4 -72.1 155.8 5.5 93.9 0.5 77 77 A E T 3 S+ 0 0 10 1,-0.2 -22,-0.2 -2,-0.1 -73,-0.1 -0.387 119.2 27.9 -54.6 129.8 6.3 93.2 4.2 78 78 A G T 3 S+ 0 0 22 -24,-2.5 -1,-0.2 1,-0.3 2,-0.2 0.504 86.8 146.0 94.4 5.3 7.4 96.5 5.8 79 79 A S < - 0 0 22 -3,-1.7 -25,-3.1 -25,-0.2 -1,-0.3 -0.475 56.8-107.9 -71.2 143.6 5.5 98.8 3.5 80 80 A K E -D 53 0B 138 -27,-0.2 2,-0.5 -2,-0.2 -27,-0.3 -0.486 35.4-139.8 -62.6 137.9 4.1 102.0 4.7 81 81 A L E -D 52 0B 2 -29,-4.0 -29,-1.8 -2,-0.2 -1,-0.0 -0.929 19.8-175.7-106.4 130.3 0.3 101.6 4.9 82 82 A V - 0 0 104 -2,-0.5 3,-0.4 -31,-0.2 -34,-0.2 -0.993 38.9 -79.1-125.5 122.1 -1.9 104.5 3.9 83 83 A P S S+ 0 0 53 0, 0.0 -34,-0.2 0, 0.0 3,-0.1 -0.329 112.0 20.5 -50.9 137.9 -5.7 104.3 4.3 84 84 A V S S+ 0 0 87 -36,-0.5 -35,-0.2 1,-0.1 2,-0.2 -0.107 83.9 161.8-112.1 87.2 -7.6 102.9 2.6 85 85 A A E -A 48 0A 20 -37,-1.1 -37,-2.7 -3,-0.4 2,-1.4 -0.416 40.7-133.3 -74.3 135.0 -5.0 100.6 1.0 86 86 A K E +A 47 0A 110 -39,-0.2 -39,-0.2 1,-0.2 -1,-0.1 -0.716 35.1 173.8 -83.3 83.3 -5.9 97.4 -0.8 87 87 A V E - 0 0 0 -41,-1.8 -13,-2.4 -2,-1.4 -12,-1.1 0.885 51.3 -25.4 -67.2 -44.0 -3.3 95.3 0.9 88 88 A A E -AC 46 73A 0 -42,-1.1 -42,-3.1 -15,-0.2 2,-0.4 -0.987 50.4-120.8-163.6 168.9 -4.2 91.8 -0.4 89 89 A E E -AC 45 72A 36 -17,-2.5 -17,-3.1 -2,-0.3 2,-0.4 -0.963 20.9-160.9-122.2 137.9 -6.8 89.5 -1.8 90 90 A V E -AC 44 71A 0 -46,-3.2 -46,-2.8 -2,-0.4 2,-0.3 -0.956 9.2-171.1-118.2 137.1 -7.9 86.3 -0.1 91 91 A R E +AC 43 70A 95 -21,-2.6 -21,-2.7 -2,-0.4 -48,-0.2 -0.984 27.7 95.1-131.1 145.8 -9.7 83.4 -2.0 92 92 A G E S-A 42 0A 11 -50,-1.9 -50,-2.8 -2,-0.3 -23,-0.1 -0.937 76.4 -31.2 164.5 179.9 -11.4 80.2 -0.9 93 93 A P E >> -A 41 0A 39 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.392 63.5-118.5 -56.9 136.5 -14.8 78.7 0.1 94 94 A A H 3> S+ 0 0 2 -54,-2.4 4,-2.2 1,-0.2 -55,-0.2 0.832 111.0 47.8 -49.7 -47.0 -17.0 81.4 1.7 95 95 A H H 3> S+ 0 0 56 -57,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.881 113.9 48.3 -65.6 -34.9 -17.4 79.6 5.1 96 96 A C H <> S+ 0 0 20 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.863 109.7 52.8 -73.3 -35.8 -13.6 78.9 5.3 97 97 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.2 0.963 111.5 45.0 -60.3 -47.7 -12.8 82.5 4.4 98 98 A L H X S+ 0 0 12 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.718 109.4 55.7 -75.5 -22.7 -15.0 83.9 7.1 99 99 A L H X S+ 0 0 31 -4,-1.2 4,-0.5 -5,-0.2 -1,-0.2 0.866 111.8 43.6 -74.7 -37.2 -13.7 81.5 9.7 100 100 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.2 5,-0.2 0.807 98.4 82.3 -73.0 -28.2 -10.1 82.6 9.0 101 101 A E H X S+ 0 0 21 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.847 89.2 42.5 -45.3 -58.3 -11.1 86.3 8.9 102 102 A R H X S+ 0 0 22 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.948 116.8 45.5 -64.7 -49.5 -11.2 87.2 12.6 103 103 A V H X S+ 0 0 2 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.925 112.5 51.7 -58.9 -44.2 -8.1 85.5 13.7 104 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.902 112.3 44.9 -61.4 -43.3 -6.1 86.8 10.7 105 105 A L H X S+ 0 0 2 -4,-2.2 4,-3.4 -5,-0.2 5,-0.2 0.907 110.6 53.4 -67.6 -43.6 -7.0 90.4 11.3 106 106 A N H X S+ 0 0 1 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.905 113.5 44.1 -56.8 -42.9 -6.4 90.2 15.1 107 107 A M H >X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 3,-0.7 0.987 117.8 43.0 -65.4 -56.1 -2.9 88.9 14.4 108 108 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 -53,-0.3 0.864 109.0 58.0 -61.1 -42.0 -2.1 91.4 11.6 109 109 A A H 3X S+ 0 0 4 -4,-3.4 170,-2.5 1,-0.2 4,-1.1 0.857 115.6 36.1 -55.7 -38.0 -3.6 94.3 13.4 110 110 A R H <>S+ 0 0 4 -4,-2.1 3,-0.7 1,-0.2 5,-0.6 0.869 108.7 50.5 -66.9 -37.4 15.9 108.2 16.5 126 126 A R H ><5S+ 0 0 144 -4,-1.9 3,-3.0 1,-0.2 -1,-0.2 0.881 96.1 71.5 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98.1 12.0 157 157 A A < - 0 0 3 -5,-2.7 -1,-0.4 -6,-0.2 2,-0.3 -0.612 62.7-111.0 -91.1 157.9 13.9 97.7 15.8 158 158 A T B -f 135 0C 44 -24,-2.2 -22,-1.8 -2,-0.2 3,-0.1 -0.691 18.7-129.0 -90.3 144.8 16.1 95.0 17.1 159 159 A S - 0 0 26 -2,-0.3 2,-0.1 -24,-0.2 -1,-0.1 0.796 33.2-161.6 -58.3 -30.0 14.5 92.1 19.0 160 160 A H - 0 0 52 -25,-0.1 2,-0.3 -22,-0.0 -1,-0.2 -0.439 62.7 -6.2 62.8-152.6 16.8 92.5 22.0 161 161 A R - 0 0 16 -25,-0.2 3,-0.1 1,-0.2 6,-0.0 -0.489 62.2-164.7 -70.2 126.4 16.7 89.3 24.1 162 162 A Y - 0 0 74 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.952 67.6 -10.6 -74.5 -52.4 14.1 86.9 22.8 163 163 A D S > S- 0 0 34 153,-0.0 3,-1.7 154,-0.0 4,-0.4 -0.797 81.9 -80.2-139.9-177.2 14.1 84.7 25.9 164 164 A L T 3 S+ 0 0 7 151,-2.1 158,-0.5 1,-0.3 152,-0.1 0.281 122.0 54.0 -73.6 12.7 15.8 83.9 29.2 165 165 A G T 3 S+ 0 0 31 150,-0.1 -1,-0.3 155,-0.1 3,-0.1 0.323 87.3 77.9-122.6 5.1 18.5 81.8 27.4 166 166 A G S < S- 0 0 45 -3,-1.7 31,-0.4 1,-0.3 2,-0.3 0.752 110.3 -8.9 -89.2 -32.4 19.7 84.4 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45.4 177 177 A A H <5S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.822 113.5 50.5 -69.7 -30.0 19.5 88.4 45.6 178 178 A A H <5S- 0 0 23 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.731 114.3-117.4 -82.3 -22.5 23.1 88.1 44.7 179 179 A G T <5S- 0 0 43 -4,-1.6 -3,-0.2 -5,-0.1 2,-0.2 0.738 76.0 -12.0 93.6 26.9 24.3 90.5 47.3 180 180 A G S > S+ 0 0 5 2,-0.2 4,-2.4 -2,-0.2 5,-0.3 0.915 122.1 49.7 -64.2 -47.4 26.9 93.9 41.6 182 182 A K H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 112.0 49.8 -57.5 -46.3 30.3 92.1 41.6 183 183 A Q H > S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 112.1 48.4 -60.1 -42.2 28.7 89.0 43.2 184 184 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 3,-0.3 0.953 111.2 47.8 -65.7 -48.6 25.9 89.0 40.5 185 185 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.798 106.1 60.8 -63.3 -31.7 28.2 89.4 37.6 186 186 A Q H X S+ 0 0 89 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.925 110.3 38.5 -61.5 -44.6 30.4 86.7 38.9 187 187 A G H X S+ 0 0 8 -4,-1.5 4,-1.4 -3,-0.3 -2,-0.2 0.806 113.9 56.7 -74.7 -31.4 27.6 84.1 38.8 188 188 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.893 104.7 53.4 -62.7 -42.3 26.5 85.6 35.5 189 189 A R H X S+ 0 0 68 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.946 108.8 47.0 -57.5 -51.0 29.9 85.0 34.1 190 190 A R H < S+ 0 0 164 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 115.3 48.1 -60.9 -32.8 29.9 81.3 35.1 191 191 A A H < S+ 0 0 20 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.844 117.5 40.3 -76.9 -36.0 26.4 81.0 33.6 192 192 A A H X S+ 0 0 3 -4,-2.5 4,-1.9 -5,-0.1 3,-0.3 0.886 77.1 168.8 -81.8 -46.6 27.4 82.8 30.3 193 193 A N T < - 0 0 105 -4,-3.0 -1,-0.1 1,-0.2 -2,-0.1 -0.255 69.9 -42.4 60.8-146.0 30.8 81.4 29.5 194 194 A F T 4 S+ 0 0 193 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.869 135.0 62.2 -80.2 -35.6 31.9 82.3 26.1 195 195 A A T 4 S+ 0 0 75 -3,-0.3 -2,-0.2 2,-0.0 2,-0.2 0.930 100.8 44.0 -57.7 -57.0 28.6 81.6 24.3 196 196 A L S < S- 0 0 40 -4,-1.9 2,-0.2 -5,-0.1 -29,-0.2 -0.491 75.9-124.2 -95.5 159.5 26.3 84.2 26.0 197 197 A K - 0 0 122 -31,-0.4 -29,-2.9 -2,-0.2 2,-0.5 -0.585 17.1-132.1 -94.4 162.4 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