==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAY-12 4AVQ . COMPND 2 MOLECULE: POLYMERASE PA; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR E.KOWALINSKI,C.ZUBIETA,A.WOLKERSTORFER,O.H.SZOLAR,R.W.RUIGRO . 771 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 527 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 24 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 325 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 0 0 3 1 0 2 2 2 2 4 0 4 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 4 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 4 16 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 4 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 -3 A S 0 0 113 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 156.9 106.9 35.4 -17.9 2 -2 A G > + 0 0 13 31,-0.4 4,-3.0 1,-0.1 3,-0.3 0.329 360.0 109.5-103.2 6.3 107.4 37.0 -14.5 3 -1 A M H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 76.0 55.0 -44.8 -45.3 104.4 39.3 -14.7 4 0 A A H > S+ 0 0 5 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 112.8 39.1 -63.8 -45.1 102.6 37.3 -12.1 5 1 A M H > S+ 0 0 6 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.900 113.0 56.7 -73.7 -34.6 105.3 37.5 -9.5 6 2 A E H X S+ 0 0 24 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.901 109.9 45.6 -60.6 -45.9 106.1 41.2 -10.3 7 3 A D H X S+ 0 0 67 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.829 110.8 53.3 -62.0 -39.3 102.4 42.1 -9.7 8 4 A F H X S+ 0 0 8 -4,-1.8 4,-1.7 -5,-0.2 3,-0.5 0.941 109.7 48.8 -61.0 -43.9 102.3 40.1 -6.5 9 5 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.4 0.948 107.8 53.7 -62.3 -46.1 105.4 42.0 -5.3 10 6 A R H < S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.766 115.8 38.5 -65.7 -23.9 104.0 45.4 -6.1 11 7 A Q H < S+ 0 0 128 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.611 113.3 56.3 -97.0 -14.5 100.8 44.7 -4.1 12 8 A C H < S+ 0 0 27 -4,-1.7 2,-0.3 -3,-0.4 -2,-0.2 0.872 104.5 50.4 -82.7 -38.3 102.5 42.8 -1.2 13 9 A F S < S- 0 0 6 -4,-2.1 31,-0.0 -5,-0.2 5,-0.0 -0.725 89.7-103.5-109.5 151.3 105.0 45.5 -0.1 14 10 A N >> - 0 0 67 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.228 38.4-107.0 -69.4 159.2 104.6 49.1 0.7 15 11 A P H 3> S+ 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.758 117.2 59.6 -65.4 -25.2 105.7 51.6 -2.0 16 12 A M H 3> S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.888 109.1 45.6 -62.9 -42.0 108.9 52.7 0.0 17 13 A I H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.944 111.7 50.5 -65.4 -46.9 110.1 49.1 -0.1 18 14 A V H X S+ 0 0 9 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.907 110.7 49.6 -63.0 -39.2 109.3 48.6 -3.8 19 15 A E H X S+ 0 0 113 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.960 111.1 48.5 -63.8 -51.5 111.2 51.8 -4.7 20 16 A L H X S+ 0 0 18 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.905 113.3 49.5 -53.8 -44.4 114.3 50.8 -2.6 21 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.933 112.0 45.5 -64.0 -46.8 114.2 47.4 -4.2 22 18 A E H X S+ 0 0 62 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.896 112.2 53.5 -64.7 -38.4 114.0 48.7 -7.8 23 19 A K H X S+ 0 0 78 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.952 110.2 47.1 -59.4 -47.5 116.7 51.3 -7.1 24 20 A A H X S+ 0 0 42 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.894 113.9 46.6 -64.6 -43.0 119.1 48.6 -5.9 25 21 A M H ><>S+ 0 0 0 -4,-2.4 5,-3.3 -5,-0.2 3,-0.5 0.918 112.1 49.6 -66.3 -42.9 118.4 46.3 -8.8 26 22 A K H ><5S+ 0 0 175 -4,-2.6 3,-2.1 3,-0.2 -2,-0.2 0.918 103.3 62.3 -59.7 -44.9 118.8 49.2 -11.4 27 23 A E H 3<5S+ 0 0 114 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 111.5 36.2 -50.3 -37.1 122.1 50.2 -9.8 28 24 A Y T <<5S- 0 0 112 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.039 122.9 -99.8-110.5 24.5 123.8 46.8 -10.6 29 25 A G T < 5S+ 0 0 71 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.742 75.7 139.2 71.5 24.2 122.0 46.3 -14.0 30 26 A E < - 0 0 47 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.863 43.2-143.9 -99.6 138.9 119.3 43.9 -12.8 31 27 A D >> - 0 0 70 -2,-0.4 4,-2.7 1,-0.1 3,-1.8 -0.870 2.8-151.6-105.5 117.2 115.7 44.4 -14.2 32 28 A P T 34 S+ 0 0 14 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.734 95.0 60.5 -57.3 -24.2 112.8 43.7 -11.8 33 29 A K T 34 S+ 0 0 117 1,-0.1 -31,-0.4 2,-0.1 3,-0.2 0.770 117.4 31.2 -73.5 -23.4 110.4 42.7 -14.7 34 30 A I T <4 S+ 0 0 130 -3,-1.8 2,-1.8 1,-0.2 3,-0.3 0.862 119.5 47.5-100.1 -53.4 112.8 39.9 -15.6 35 31 A E S X S+ 0 0 73 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 -0.508 70.4 156.4 -88.8 72.7 114.4 38.8 -12.3 36 32 A T H > + 0 0 12 -2,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.837 67.2 51.0 -75.1 -31.3 111.1 38.6 -10.5 37 33 A N H > S+ 0 0 31 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.898 111.6 49.0 -71.8 -38.0 112.1 36.2 -7.8 38 34 A K H > S+ 0 0 80 2,-0.2 4,-3.0 1,-0.2 3,-0.3 0.962 106.2 57.4 -58.4 -53.5 115.1 38.3 -7.0 39 35 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.931 110.9 44.1 -39.8 -53.7 112.8 41.4 -6.9 40 36 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.840 109.8 53.2 -63.7 -36.9 110.8 39.6 -4.2 41 37 A A H X S+ 0 0 27 -4,-2.0 4,-2.3 -3,-0.3 -1,-0.2 0.908 109.9 50.0 -71.2 -36.9 113.7 38.4 -2.2 42 38 A I H X S+ 0 0 35 -4,-3.0 4,-3.3 2,-0.2 5,-0.2 0.970 111.0 47.7 -65.4 -47.1 115.1 42.0 -2.1 43 39 A C H X S+ 0 0 0 -4,-2.2 4,-3.5 -5,-0.2 -1,-0.2 0.891 112.9 49.4 -58.2 -45.2 111.8 43.5 -0.9 44 40 A T H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.900 111.2 48.0 -59.3 -49.9 111.4 40.8 1.8 45 41 A H H X S+ 0 0 32 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.966 114.5 47.4 -56.6 -49.3 114.9 41.3 3.0 46 42 A L H X S+ 0 0 4 -4,-3.3 4,-2.1 1,-0.2 5,-0.3 0.962 111.1 50.7 -56.0 -49.1 114.3 45.1 3.1 47 43 A E H X S+ 0 0 27 -4,-3.5 4,-2.2 1,-0.2 5,-0.2 0.916 109.4 51.5 -63.1 -37.8 110.9 44.6 4.9 48 44 A V H X S+ 0 0 3 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.907 107.6 51.7 -62.2 -40.5 112.5 42.4 7.5 49 45 A C H X S+ 0 0 0 -4,-2.1 4,-1.4 -3,-0.2 -2,-0.2 0.963 111.8 46.6 -60.7 -51.0 115.3 45.0 8.3 50 46 A F H X S+ 0 0 13 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.880 112.6 49.7 -56.1 -45.3 112.8 47.8 8.8 51 47 A M H < S+ 0 0 17 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.850 105.5 57.0 -61.3 -36.2 110.6 45.7 11.0 52 48 A Y H < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.886 113.0 41.1 -62.4 -35.2 113.5 44.6 13.1 53 49 A S H >< S+ 0 0 6 -4,-1.4 3,-1.6 -5,-0.2 25,-0.3 0.823 89.2 116.4 -87.4 -30.2 114.2 48.2 13.8 54 50 A D T 3< S- 0 0 58 -4,-2.0 3,-0.1 1,-0.2 14,-0.0 -0.008 84.3 -0.6 -41.5 129.3 110.5 49.4 14.3 55 51 A F T 3 S+ 0 0 56 1,-0.2 12,-2.6 11,-0.1 2,-0.6 0.402 94.2 126.2 79.8 -1.5 109.5 50.7 17.7 56 52 A H E < +A 66 0A 5 -3,-1.6 21,-3.1 10,-0.2 22,-0.5 -0.845 30.1 157.1-103.1 122.0 112.8 50.3 19.4 57 53 A F E -AB 65 76A 24 8,-2.3 8,-2.5 -2,-0.6 2,-0.4 -0.905 38.6-139.3-136.2 153.7 114.3 53.3 21.1 58 54 A I E -AB 64 75A 25 17,-3.4 17,-3.2 -2,-0.3 6,-0.2 -0.971 35.4-145.2-108.3 137.5 116.8 54.4 23.8 59 55 A D - 0 0 28 4,-1.9 3,-0.4 -2,-0.4 15,-0.1 -0.074 29.8 -83.6 -94.3-168.5 115.5 57.3 25.8 60 56 A E S S+ 0 0 38 1,-0.2 611,-0.1 2,-0.1 14,-0.0 0.868 130.2 51.3 -63.1 -39.8 116.9 60.4 27.5 61 57 A R S S- 0 0 156 2,-0.1 -1,-0.2 609,-0.1 609,-0.0 0.602 122.5-114.2 -78.9 -11.7 117.9 58.4 30.7 62 58 A G + 0 0 37 -3,-0.4 2,-0.3 1,-0.3 -2,-0.1 0.656 69.7 123.5 99.0 22.2 119.5 56.0 28.2 63 59 A E - 0 0 103 0, 0.0 -4,-1.9 0, 0.0 2,-0.5 -0.854 64.2-102.4-118.0 153.2 117.7 52.7 28.3 64 60 A S E +A 58 0A 37 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.595 46.7 170.1 -79.6 119.4 116.0 50.7 25.6 65 61 A I E -A 57 0A 64 -8,-2.5 -8,-2.3 -2,-0.5 2,-0.5 -0.815 33.6-116.7-121.5 162.6 112.2 51.0 25.6 66 62 A I E +A 56 0A 89 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.896 32.5 179.1-102.2 127.5 109.4 50.0 23.2 67 63 A V 0 0 30 -12,-2.6 -2,-0.0 -2,-0.5 4,-0.0 -0.994 360.0 360.0-130.4 125.3 107.3 52.8 21.7 68 64 A E 0 0 159 -2,-0.4 -1,-0.1 -14,-0.0 -13,-0.1 0.479 360.0 360.0-124.4 360.0 104.4 52.4 19.2 69 ! 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 70 68 A P 0 0 127 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 113.4 108.0 58.7 19.1 71 69 A N > - 0 0 64 1,-0.0 3,-3.1 532,-0.0 -4,-0.0 -0.993 360.0-113.3-139.2 129.0 109.1 61.4 21.5 72 70 A A T 3 S+ 0 0 38 -2,-0.4 594,-0.3 1,-0.3 -1,-0.0 0.505 109.6 50.1 -54.2 -21.0 111.9 63.9 20.6 73 71 A L T 3 S+ 0 0 3 592,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.535 87.8 105.3 -92.3 -5.3 114.6 62.9 23.1 74 72 A L < - 0 0 21 -3,-3.1 2,-0.4 -15,-0.1 -15,-0.2 -0.579 60.1-150.4 -72.8 133.7 114.4 59.2 22.1 75 73 A K E -B 58 0A 91 -17,-3.2 -17,-3.4 -2,-0.3 -2,-0.1 -0.917 27.2-104.0-102.7 135.6 117.2 57.9 20.0 76 74 A H E -B 57 0A 88 -2,-0.4 -19,-0.3 -19,-0.2 38,-0.1 -0.277 23.4-142.8 -49.1 128.5 116.5 55.0 17.5 77 75 A R S S+ 0 0 13 -21,-3.1 37,-2.6 -24,-0.3 2,-0.4 0.888 82.2 45.6 -66.5 -36.6 117.9 51.7 18.9 78 76 A F E -C 113 0B 4 -22,-0.5 2,-0.4 -25,-0.3 35,-0.2 -0.878 68.1-148.8-112.8 135.2 119.1 50.4 15.5 79 77 A E E -C 112 0B 50 33,-2.2 33,-2.2 -2,-0.4 2,-0.5 -0.853 24.2-138.1 -87.2 140.5 120.9 52.2 12.7 80 78 A I E +C 111 0B 7 -2,-0.4 31,-0.2 578,-0.2 30,-0.1 -0.908 29.6 168.8-108.4 128.7 119.9 50.7 9.3 81 79 A I > + 0 0 4 29,-2.6 3,-1.2 -2,-0.5 30,-0.2 0.790 56.7 82.2-108.6 -41.7 122.6 50.1 6.8 82 80 A E T 3 S+ 0 0 60 28,-1.4 3,-0.1 1,-0.2 28,-0.0 -0.308 82.2 48.2 -56.3 148.4 120.8 48.1 4.2 83 81 A G T 3 S+ 0 0 22 1,-0.4 2,-0.2 -63,-0.1 -1,-0.2 0.230 92.8 99.3 98.1 -11.6 118.7 50.3 1.8 84 82 A R S < S- 0 0 31 -3,-1.2 -1,-0.4 1,-0.1 564,-0.1 -0.693 77.7-107.9-106.2 158.3 121.7 52.7 1.1 85 83 A D > - 0 0 71 -2,-0.2 4,-2.5 562,-0.1 5,-0.2 -0.323 44.8 -94.6 -77.3 168.7 124.0 52.8 -1.8 86 84 A R H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.909 121.3 48.6 -57.4 -43.8 127.6 51.7 -1.2 87 85 A I H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.967 115.7 43.6 -60.8 -49.4 129.2 55.1 -0.5 88 86 A M H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 111.4 54.2 -66.4 -40.5 126.5 56.1 2.0 89 87 A A H X S+ 0 0 2 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.933 111.3 43.5 -56.4 -52.5 126.5 52.8 3.7 90 88 A W H X S+ 0 0 74 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.826 110.3 58.3 -65.6 -30.3 130.2 52.8 4.4 91 89 A T H X S+ 0 0 68 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.925 109.9 43.7 -62.7 -42.1 129.8 56.5 5.4 92 90 A V H X S+ 0 0 22 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.964 114.6 48.0 -68.8 -50.1 127.3 55.4 8.1 93 91 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.928 112.4 50.1 -54.5 -41.2 129.4 52.4 9.2 94 92 A N H X S+ 0 0 61 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.945 111.9 48.0 -67.0 -41.8 132.5 54.7 9.4 95 93 A S H X S+ 0 0 45 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.889 111.1 51.9 -63.9 -36.8 130.6 57.3 11.5 96 94 A I H X>S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 5,-0.6 0.910 105.7 52.4 -66.9 -44.7 129.4 54.5 13.7 97 95 A C H X5S+ 0 0 16 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.924 111.1 49.4 -60.7 -35.0 132.9 53.1 14.3 98 96 A N H <5S+ 0 0 102 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.877 112.0 48.3 -64.1 -38.8 133.9 56.7 15.4 99 97 A T H <5S+ 0 0 34 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.912 130.3 16.6 -67.2 -45.8 131.0 57.1 17.7 100 98 A T H <5S- 0 0 52 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.717 91.1-127.4-107.2 -28.5 131.3 53.8 19.5 101 99 A G << + 0 0 67 -4,-2.0 2,-0.2 -5,-0.6 -4,-0.2 0.660 52.8 156.6 83.4 16.9 134.9 52.6 18.7 102 100 A V - 0 0 36 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.510 53.5 -92.1 -73.6 142.3 133.5 49.3 17.6 103 101 A E - 0 0 125 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.298 42.5-114.4 -56.2 132.1 135.8 47.4 15.2 104 102 A K - 0 0 104 -3,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.576 27.7-134.2 -70.8 126.8 135.0 48.1 11.6 105 103 A P - 0 0 6 0, 0.0 -1,-0.0 0, 0.0 37,-0.0 -0.489 8.4-132.2 -79.4 156.5 133.6 45.0 9.7 106 104 A K S S+ 0 0 204 -2,-0.1 2,-0.3 34,-0.1 -2,-0.0 0.533 89.9 43.6 -87.5 -13.2 135.1 44.2 6.3 107 105 A F S S- 0 0 56 0, 0.0 33,-0.0 0, 0.0 0, 0.0 -0.913 97.2 -98.6-124.6 158.4 131.7 43.7 4.6 108 106 A L - 0 0 38 -2,-0.3 2,-0.1 2,-0.0 -2,-0.1 -0.633 39.5-164.7 -75.8 115.6 128.5 45.8 5.0 109 107 A P - 0 0 2 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.368 24.4-114.2 -87.9-170.0 126.1 44.3 7.5 110 108 A D S S+ 0 0 4 10,-1.6 -29,-2.6 1,-0.2 -28,-1.4 0.800 81.9 13.1 -98.1 -39.8 122.4 45.3 7.8 111 109 A L E -CD 80 120B 0 9,-2.2 9,-3.0 -31,-0.2 2,-0.4 -0.945 53.3-144.8-133.2 162.0 121.9 46.9 11.1 112 110 A Y E -CD 79 119B 0 -33,-2.2 -33,-2.2 -2,-0.3 2,-0.6 -0.999 16.8-148.7-122.4 134.9 123.9 48.3 14.0 113 111 A D E >> -CD 78 118B 0 5,-3.3 4,-1.4 -2,-0.4 5,-1.1 -0.903 6.9-167.2-108.2 113.1 122.5 47.9 17.6 114 112 A Y T 45S+ 0 0 36 -37,-2.6 -1,-0.1 -2,-0.6 -36,-0.1 0.690 86.6 52.7 -76.5 -18.0 123.4 50.8 20.0 115 113 A K T 45S+ 0 0 107 -38,-0.4 -1,-0.2 1,-0.1 -37,-0.1 0.945 122.2 25.5 -78.7 -52.8 122.3 48.8 23.1 116 114 A E T 45S- 0 0 83 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.649 103.2-132.9 -84.7 -13.9 124.4 45.6 22.6 117 115 A N T <5 + 0 0 78 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.942 62.1 114.0 56.9 56.9 126.9 47.6 20.5 118 116 A R E < -D 113 0B 38 -5,-1.1 -5,-3.3 -16,-0.1 2,-0.2 -0.970 65.9-113.1-144.9 155.5 127.2 45.2 17.6 119 117 A F E -D 112 0B 6 -2,-0.3 27,-2.1 -7,-0.3 2,-0.4 -0.606 30.4-144.9 -78.4 153.3 126.5 45.0 14.0 120 118 A I E -De 111 146B 0 -9,-3.0 -9,-2.2 -2,-0.2 -10,-1.6 -0.986 6.4-156.2-124.9 131.8 123.8 42.6 12.8 121 119 A E E - e 0 147B 14 25,-2.8 27,-2.3 -2,-0.4 2,-0.4 -0.948 20.5-153.7-104.1 123.0 123.8 40.6 9.6 122 120 A I E - e 0 148B 0 -2,-0.6 2,-0.4 25,-0.2 27,-0.2 -0.823 11.4-171.4 -98.9 141.4 120.2 39.7 8.7 123 121 A G E - e 0 149B 1 25,-2.3 27,-2.6 -2,-0.4 2,-0.4 -0.989 11.4-170.9-133.9 142.7 119.2 36.7 6.6 124 122 A V E - e 0 150B 19 -2,-0.4 2,-0.4 25,-0.2 27,-0.2 -0.993 19.5-177.6-128.4 118.7 115.8 35.6 5.2 125 123 A T E - e 0 151B 0 25,-2.1 27,-0.9 -2,-0.4 4,-0.1 -0.933 36.2-159.9-125.2 145.5 115.7 32.1 3.6 126 124 A R S S+ 0 0 33 -2,-0.4 -1,-0.1 25,-0.2 25,-0.1 0.296 88.0 63.2 -90.8 -1.6 113.2 29.9 1.8 127 125 A R S S- 0 0 92 1,-0.2 2,-0.3 2,-0.0 25,-0.2 0.034 110.4 -47.2 -98.7-143.9 115.4 26.9 2.8 128 126 A E > - 0 0 92 1,-0.1 4,-1.7 23,-0.1 -1,-0.2 -0.713 44.3-132.4 -98.0 147.4 116.1 25.7 6.3 129 127 A V H > S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.921 99.7 51.1 -67.2 -44.6 117.2 28.1 9.0 130 128 A H H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.953 110.8 43.8 -58.6 -56.4 120.2 26.1 10.3 131 129 A I H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 113.8 52.5 -64.6 -33.7 122.0 25.4 7.1 132 130 A Y H X S+ 0 0 39 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.950 107.8 51.8 -63.7 -47.0 121.5 28.9 5.9 133 131 A Y H X S+ 0 0 39 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.864 110.3 48.3 -52.0 -44.6 123.0 30.1 9.2 134 132 A L H X S+ 0 0 92 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.933 110.0 51.0 -69.0 -45.4 126.1 27.9 8.8 135 133 A E H X S+ 0 0 93 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.905 114.2 45.5 -60.6 -37.7 126.6 29.0 5.2 136 134 A K H X S+ 0 0 36 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.905 111.5 50.3 -69.3 -44.2 126.4 32.7 6.4 137 135 A A H X S+ 0 0 34 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.882 111.8 49.7 -64.0 -39.6 128.7 32.2 9.5 138 136 A N H < S+ 0 0 119 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.940 113.0 46.3 -55.3 -50.4 131.3 30.6 7.2 139 137 A K H < S+ 0 0 168 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.840 118.2 39.8 -70.2 -39.1 131.1 33.4 4.7 140 138 A I H < S+ 0 0 28 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.988 74.8 177.2 -67.8 -70.3 131.3 36.3 7.1 141 139 A K < + 0 0 173 -4,-1.5 2,-0.5 -5,-0.2 -3,-0.1 0.842 35.0 122.7 56.2 40.3 133.9 34.8 9.5 142 140 A S > - 0 0 33 3,-0.2 3,-0.8 -5,-0.1 -1,-0.2 -0.977 54.0-155.0-116.6 114.7 134.1 37.8 11.8 143 141 A E T 3 S+ 0 0 185 -2,-0.5 -1,-0.0 1,-0.2 -6,-0.0 0.535 90.6 76.2 -58.3 -5.2 133.2 36.8 15.4 144 142 A K T 3 S+ 0 0 106 1,-0.1 2,-0.4 -40,-0.0 -1,-0.2 0.974 79.1 68.2 -64.7 -58.9 132.3 40.5 15.4 145 143 A T S < S- 0 0 7 -3,-0.8 -25,-0.2 -27,-0.1 -3,-0.2 -0.572 75.0-138.7 -87.5 121.7 129.1 40.5 13.5 146 144 A H E -e 120 0B 16 -27,-2.1 -25,-2.8 -2,-0.4 2,-0.4 -0.379 18.6-146.0 -71.0 146.8 125.9 38.9 15.1 147 145 A I E -e 121 0B 6 -27,-0.2 12,-1.9 -2,-0.1 2,-0.4 -0.947 16.6-177.2-122.2 133.7 123.8 36.9 12.7 148 146 A H E -eF 122 158B 0 -27,-2.3 -25,-2.3 -2,-0.4 2,-0.4 -0.964 8.4-168.9-134.4 120.0 120.0 36.6 12.8 149 147 A I E -eF 123 157B 0 8,-2.7 8,-1.7 -2,-0.4 2,-0.4 -0.871 2.9-170.5-112.6 135.8 118.2 34.4 10.4 150 148 A F E -eF 124 156B 0 -27,-2.6 -25,-2.1 -2,-0.4 2,-0.3 -0.963 4.8-158.5-122.0 149.3 114.5 34.1 9.7 151 149 A S E > -e 125 0B 0 4,-2.8 3,-0.8 -2,-0.4 -25,-0.2 -0.781 28.6-120.5-117.3 166.4 112.5 31.7 7.6 152 150 A F T 3 S+ 0 0 3 -27,-0.9 29,-0.2 -2,-0.3 -26,-0.1 0.419 108.8 66.6 -80.2 -2.5 109.0 31.8 5.9 153 151 A T T 3 S- 0 0 77 2,-0.1 -1,-0.2 28,-0.1 21,-0.1 0.118 125.4 -93.2-101.0 13.7 108.0 28.7 8.0 154 152 A G S < S+ 0 0 31 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.674 84.4 127.7 83.8 18.6 108.1 30.7 11.3 155 153 A E - 0 0 93 19,-0.1 -4,-2.8 -4,-0.0 2,-0.3 -0.770 32.6-177.0-111.3 158.0 111.6 29.8 12.3 156 154 A E E -F 150 0B 25 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.977 8.5-167.6-141.1 153.8 114.7 31.8 13.4 157 155 A M E +F 149 0B 43 -8,-1.7 -8,-2.7 -2,-0.3 2,-0.4 -0.961 13.9 179.7-140.4 133.1 118.3 31.1 14.3 158 156 A A E > -F 148 0B 4 -2,-0.3 3,-2.2 -10,-0.2 4,-0.2 -0.973 38.3 -80.6-135.1 144.0 120.7 33.6 15.9 159 157 A T G > S- 0 0 22 -12,-1.9 3,-2.5 -2,-0.4 -13,-0.1 -0.036 110.6 -5.8 -38.0 129.1 124.2 33.7 17.1 160 158 A K G 3 S- 0 0 171 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.586 119.1 -75.3 58.1 20.0 124.8 32.2 20.5 161 159 A A G < S+ 0 0 77 -3,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.778 96.7 139.2 58.6 30.6 121.1 31.7 20.9 162 160 A D < - 0 0 56 -3,-2.5 -1,-0.2 -4,-0.2 3,-0.1 -0.911 32.4-174.6-107.5 106.5 120.9 35.5 21.6 163 161 A Y - 0 0 58 -2,-0.7 2,-3.3 1,-0.2 -1,-0.1 0.407 17.9-152.2 -90.1 3.2 117.8 36.6 19.8 164 162 A T + 0 0 19 -6,-0.0 -1,-0.2 -48,-0.0 2,-0.1 -0.279 66.4 65.2 68.8 -62.3 118.4 40.4 20.5 165 163 A L S S- 0 0 10 -2,-3.3 -2,-0.1 1,-0.2 2,-0.0 -0.340 93.1 -90.8 -92.3 169.8 114.7 41.5 20.4 166 164 A D > - 0 0 52 1,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.345 41.1-108.9 -70.0 162.4 111.7 40.6 22.6 167 165 A E H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.816 116.0 57.6 -59.8 -34.5 109.6 37.7 21.6 168 166 A E H > S+ 0 0 158 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.955 107.2 47.2 -68.2 -46.9 106.7 39.9 20.5 169 167 A S H > S+ 0 0 10 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.903 113.8 47.6 -56.7 -46.9 108.8 41.8 18.0 170 168 A R H X S+ 0 0 33 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.867 109.5 53.7 -61.9 -38.9 110.3 38.6 16.6 171 169 A A H X S+ 0 0 42 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.863 103.8 57.2 -64.3 -36.6 106.8 37.0 16.3 172 170 A R H X S+ 0 0 86 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.910 111.3 42.0 -61.6 -43.2 105.6 40.0 14.3 173 171 A I H X S+ 0 0 1 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.922 114.1 49.6 -69.5 -47.9 108.4 39.3 11.8 174 172 A K H X S+ 0 0 40 -4,-2.6 4,-1.8 1,-0.2 -20,-0.2 0.878 112.0 50.9 -59.3 -37.1 107.9 35.5 11.7 175 173 A T H X S+ 0 0 87 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.871 107.7 52.5 -68.9 -34.4 104.2 36.1 11.2 176 174 A R H X S+ 0 0 61 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.933 110.8 45.5 -67.3 -46.0 104.7 38.5 8.3 177 175 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.893 112.2 52.7 -63.5 -39.0 107.0 36.0 6.4 178 176 A F H X S+ 0 0 78 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.945 109.5 48.7 -62.2 -48.2 104.5 33.1 7.0 179 177 A T H X S+ 0 0 54 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.889 109.5 52.6 -62.0 -38.9 101.6 35.2 5.6 180 178 A I H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.889 110.7 47.2 -64.2 -42.1 103.7 36.2 2.5 181 179 A R H X S+ 0 0 50 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.911 111.9 49.9 -65.3 -47.1 104.5 32.5 1.8 182 180 A Q H X S+ 0 0 92 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.909 111.7 49.3 -53.5 -45.4 100.8 31.5 2.3 183 181 A E H X S+ 0 0 84 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.950 114.2 44.7 -63.9 -46.9 99.8 34.4 -0.1 184 182 A M H <>S+ 0 0 0 -4,-2.6 5,-3.3 2,-0.2 6,-0.7 0.852 112.7 51.9 -57.2 -41.1 102.4 33.2 -2.6 185 183 A A H ><5S+ 0 0 45 -4,-2.5 3,-2.3 3,-0.2 -2,-0.2 0.933 104.2 56.3 -71.3 -42.4 101.3 29.5 -2.2 186 184 A S H 3<5S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.864 112.3 43.0 -53.1 -37.4 97.6 30.3 -2.8 187 185 A R T 3<5S- 0 0 19 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.256 116.5-118.0 -90.8 14.9 98.6 31.8 -6.1 188 186 A S T < 5S+ 0 0 39 -3,-2.3 -3,-0.2 1,-0.1 4,-0.1 0.874 84.6 116.6 44.1 45.0 101.0 28.9 -6.8 189 187 A L >< + 0 0 9 -5,-3.3 4,-1.7 -8,-0.2 -4,-0.2 0.471 51.3 81.3-108.2 -6.3 104.0 31.2 -6.8 190 188 A W H > S+ 0 0 33 -6,-0.7 4,-3.2 1,-0.2 5,-0.2 0.904 85.0 51.5 -77.6 -45.8 105.7 29.7 -3.9 191 189 A D H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 111.3 49.6 -61.4 -36.7 107.4 26.7 -5.3 192 190 A S H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.926 114.7 44.6 -66.4 -42.8 109.1 28.9 -8.1 193 191 A F H < S+ 0 0 0 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.889 114.8 48.2 -66.9 -42.8 110.3 31.4 -5.4 194 192 A R H >< S+ 0 0 96 -4,-3.2 3,-1.6 1,-0.2 -2,-0.2 0.974 112.4 49.7 -60.4 -48.3 111.5 28.6 -3.1 195 193 A Q H 3< S+ 0 0 124 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.750 99.8 63.7 -67.3 -27.9 113.3 26.8 -5.9 196 194 A S T 3< 0 0 61 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.1 0.613 360.0 360.0 -71.8 -12.6 115.2 29.9 -7.2 197 195 A E < 0 0 74 -3,-1.6 -72,-0.0 -4,-0.4 -159,-0.0 -0.425 360.0 360.0 -68.9 360.0 117.1 30.3 -4.0 198 !* 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 0.0 199 -3 B S 0 0 97 0, 0.0 568,-0.0 0, 0.0 572,-0.0 0.000 360.0 360.0 360.0 -12.0 90.4 81.8 26.4 200 -2 B G > + 0 0 25 33,-0.1 4,-2.1 34,-0.0 5,-0.2 0.391 360.0 119.2 88.7 -2.5 89.5 78.2 25.4 201 -1 B M H > + 0 0 23 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.918 69.7 59.8 -52.0 -45.0 92.5 78.1 23.1 202 0 B A H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 108.9 39.8 -56.8 -47.8 93.8 75.2 25.3 203 1 B M H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.954 114.5 52.6 -69.1 -45.4 90.7 72.9 24.6 204 2 B E H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.941 112.5 45.8 -53.5 -55.1 90.5 73.9 20.9 205 3 B D H X S+ 0 0 66 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.898 112.4 51.4 -51.0 -49.7 94.2 73.0 20.4 206 4 B F H >X S+ 0 0 9 -4,-2.2 4,-1.0 -5,-0.3 3,-0.6 0.902 109.4 49.5 -56.4 -43.1 93.8 69.8 22.3 207 5 B V H >X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 3,-0.6 0.915 105.5 57.8 -67.2 -39.4 90.8 68.7 20.2 208 6 B R H 3< S+ 0 0 82 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.709 113.9 37.3 -68.7 -20.9 92.6 69.4 17.0 209 7 B Q H << S+ 0 0 131 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.532 112.8 58.4-101.2 -9.8 95.5 67.0 17.8 210 8 B C H << S+ 0 0 25 -4,-1.0 2,-0.2 -3,-0.6 -2,-0.2 0.908 105.6 45.5 -82.9 -44.1 93.3 64.4 19.5 211 9 B F S < S- 0 0 9 -4,-1.9 31,-0.0 -5,-0.1 30,-0.0 -0.661 90.4-101.6-108.7 152.4 91.0 63.6 16.7 212 10 B N > - 0 0 71 -2,-0.2 4,-2.3 1,-0.1 3,-0.4 -0.281 37.6-106.5 -70.0 157.8 91.7 62.9 13.0 213 11 B P H > S+ 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.753 117.3 60.5 -65.1 -24.3 91.1 65.7 10.5 214 12 B M H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.937 109.2 43.0 -60.6 -52.2 87.9 63.9 9.1 215 13 B I H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.946 112.1 53.5 -55.3 -51.8 86.3 64.1 12.5 216 14 B V H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.913 110.4 47.2 -59.0 -42.0 87.4 67.7 13.1 217 15 B E H X S+ 0 0 104 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.906 110.9 49.1 -60.9 -49.2 85.9 68.8 9.8 218 16 B L H X S+ 0 0 14 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.893 113.9 49.1 -59.9 -36.0 82.5 67.1 10.3 219 17 B A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.881 110.8 48.0 -73.4 -40.3 82.4 68.7 13.8 220 18 B E H X S+ 0 0 64 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.902 113.0 50.2 -62.4 -42.7 83.3 72.2 12.4 221 19 B K H X S+ 0 0 109 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.891 110.0 49.3 -63.3 -39.4 80.6 71.7 9.8 222 20 B A H X S+ 0 0 38 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.917 113.5 46.2 -69.8 -38.8 78.0 70.7 12.3 223 21 B M H ><>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-0.6 0.956 112.8 49.3 -69.1 -43.1 78.8 73.6 14.6 224 22 B K H ><5S+ 0 0 173 -4,-2.7 3,-2.2 1,-0.2 -2,-0.2 0.906 102.4 62.1 -63.8 -40.1 78.8 76.2 11.7 225 23 B E H 3<5S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.9 36.0 -51.2 -40.2 75.5 75.0 10.3 226 24 B Y T <<5S- 0 0 111 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.054 122.0-100.5-108.4 24.5 73.7 75.9 13.5 227 25 B G T < 5S+ 0 0 70 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.710 73.7 139.0 71.8 23.6 75.7 79.1 14.3 228 26 B E < - 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