==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-OCT-01 1K3J . COMPND 2 MOLECULE: PROTEIN KINASE SPK1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.YUAN,S.YONGKIETTRAKUL,I.-J.L.BYEON,S.ZHOU,M.-D.TSAI . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 25.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 15 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 11.9 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 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 14 A A 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.3 -16.9 18.8 -9.7 2 15 A T > + 0 0 111 3,-0.1 4,-1.4 4,-0.0 0, 0.0 0.622 360.0 33.3-125.9 -60.5 -13.8 18.1 -7.6 3 16 A Q H > S+ 0 0 151 2,-0.2 4,-1.0 1,-0.2 3,-0.0 0.927 121.9 48.4 -68.1 -46.5 -14.6 15.7 -4.8 4 17 A R H >> S+ 0 0 194 1,-0.2 4,-1.4 2,-0.2 3,-0.9 0.917 108.7 54.0 -60.4 -45.0 -17.2 13.7 -6.8 5 18 A F H 3> S+ 0 0 114 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.872 102.0 59.1 -57.5 -38.2 -14.8 13.4 -9.8 6 19 A L H 3X S+ 0 0 120 -4,-1.4 4,-0.7 1,-0.2 -1,-0.3 0.825 103.2 53.1 -60.7 -31.9 -12.2 12.0 -7.5 7 20 A I H X S+ 0 0 113 -4,-1.4 4,-1.7 1,-0.3 3,-0.5 0.917 104.3 48.4 -57.4 -44.5 -15.2 8.4 -10.3 9 22 A K H 3< S+ 0 0 140 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.749 98.7 72.8 -67.1 -23.7 -11.5 7.5 -10.7 10 23 A F H 3< S+ 0 0 161 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.920 105.9 33.7 -56.6 -47.6 -11.8 5.4 -7.6 11 24 A S H << S+ 0 0 112 -4,-1.1 2,-1.2 -3,-0.5 -1,-0.2 0.877 116.2 59.6 -76.6 -40.0 -13.8 2.7 -9.4 12 25 A Q S < S- 0 0 162 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.2 -0.719 74.6-175.0 -94.3 88.6 -11.9 3.2 -12.7 13 26 A E - 0 0 140 -2,-1.2 2,-0.5 -3,-0.2 -3,-0.1 -0.732 29.8-117.6 -88.1 126.3 -8.3 2.5 -11.8 14 27 A Q - 0 0 146 -2,-0.5 2,-0.3 -5,-0.1 3,-0.1 -0.472 31.3-141.7 -65.1 114.1 -5.8 3.1 -14.6 15 28 A I S S+ 0 0 98 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 -0.588 73.1 61.2 -82.3 138.3 -4.2 -0.3 -15.4 16 29 A G + 0 0 29 -2,-0.3 -1,-0.2 121,-0.0 -2,-0.1 0.674 51.1 135.4 117.3 35.9 -0.5 -0.5 -16.2 17 30 A E S S- 0 0 117 -3,-0.1 -2,-0.1 1,-0.1 19,-0.0 0.867 98.7 -30.5 -77.5 -39.0 1.2 0.9 -13.1 18 31 A N S S+ 0 0 53 20,-0.1 19,-2.3 17,-0.1 2,-0.3 0.003 90.4 160.6-172.0 35.2 3.9 -1.8 -13.0 19 32 A I E -A 36 0A 13 17,-0.3 17,-0.3 1,-0.2 119,-0.2 -0.530 20.4-177.4 -76.6 133.9 2.1 -4.8 -14.5 20 33 A V E - 0 0 0 15,-2.8 115,-1.4 1,-0.4 2,-0.3 0.901 66.9 -15.8 -91.7 -61.2 4.1 -7.6 -15.9 21 34 A C E -AB 35 134A 1 14,-1.3 14,-2.9 113,-0.2 -1,-0.4 -0.957 59.7-132.1-145.1 160.0 1.5 -9.9 -17.3 22 35 A R E -AB 34 133A 68 111,-3.0 111,-3.8 -2,-0.3 2,-0.5 -0.950 10.1-149.7-120.7 138.2 -2.3 -10.4 -17.1 23 36 A V E -AB 33 132A 1 10,-2.4 10,-2.0 -2,-0.4 2,-0.5 -0.918 15.8-178.9-109.7 122.6 -4.2 -13.7 -16.5 24 37 A I E - B 0 131A 37 107,-3.7 107,-3.2 -2,-0.5 2,-0.7 -0.971 21.7-140.3-125.1 120.6 -7.7 -14.0 -17.9 25 38 A C > - 0 0 14 5,-0.5 3,-0.5 -2,-0.5 105,-0.2 -0.677 17.9-179.2 -81.0 112.0 -9.9 -17.1 -17.5 26 39 A T T 3 S+ 0 0 88 -2,-0.7 -1,-0.2 103,-0.3 104,-0.1 0.711 79.1 63.8 -82.2 -22.4 -11.7 -17.8 -20.8 27 40 A T T 3 S- 0 0 61 102,-0.8 -1,-0.2 3,-0.0 103,-0.1 0.490 111.5-119.2 -79.9 -2.2 -13.5 -20.9 -19.3 28 41 A G S < S+ 0 0 64 -3,-0.5 -2,-0.1 2,-0.2 -4,-0.0 0.998 81.4 104.4 62.0 74.2 -15.3 -18.5 -16.9 29 42 A Q S S+ 0 0 117 1,-0.4 -3,-0.0 -4,-0.1 -1,-0.0 0.438 70.4 44.5-146.0 -42.8 -14.2 -19.8 -13.5 30 43 A I S S- 0 0 14 36,-0.0 -5,-0.5 3,-0.0 -1,-0.4 -0.911 83.6-110.2-116.6 141.9 -11.7 -17.5 -12.0 31 44 A P - 0 0 95 0, 0.0 33,-0.1 0, 0.0 -8,-0.1 -0.409 44.4 -93.7 -70.4 142.4 -11.7 -13.6 -11.9 32 45 A I - 0 0 92 -7,-0.1 2,-0.3 -2,-0.1 -8,-0.2 -0.275 48.7-174.5 -57.0 135.4 -9.2 -11.8 -14.1 33 46 A R E -A 23 0A 145 -10,-2.0 -10,-2.4 -3,-0.1 2,-0.5 -0.893 18.5-134.5-131.0 160.1 -6.0 -10.8 -12.2 34 47 A D E -A 22 0A 52 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.3 -0.959 11.0-148.0-123.7 119.9 -3.0 -8.8 -13.1 35 48 A L E -A 21 0A 3 -14,-2.9 -15,-2.8 -2,-0.5 -14,-1.3 -0.652 26.5-180.0 -82.6 133.0 0.6 -9.9 -12.4 36 49 A S E -A 19 0A 30 -2,-0.3 2,-0.3 -17,-0.3 -17,-0.3 -0.973 19.0-171.9-139.8 155.6 3.0 -7.0 -11.7 37 50 A A - 0 0 2 -19,-2.3 2,-0.2 -2,-0.3 3,-0.0 -0.998 29.8-112.3-143.2 141.9 6.6 -6.3 -10.8 38 51 A D > - 0 0 61 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.516 16.2-140.4 -77.3 140.5 8.4 -3.2 -9.7 39 52 A I H > S+ 0 0 56 2,-0.2 4,-3.0 -2,-0.2 5,-0.3 0.899 100.9 55.4 -64.4 -45.2 11.0 -1.7 -12.2 40 53 A S H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 109.3 47.9 -56.8 -41.1 13.5 -0.8 -9.5 41 54 A Q H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.861 112.1 49.8 -68.4 -36.9 13.5 -4.4 -8.2 42 55 A V H < S+ 0 0 13 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.910 115.5 41.7 -68.7 -43.8 14.0 -5.6 -11.8 43 56 A L H < S+ 0 0 84 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.879 118.6 46.1 -71.0 -39.1 16.9 -3.3 -12.5 44 57 A K H < S+ 0 0 170 -4,-2.5 2,-0.8 -5,-0.3 -2,-0.2 0.906 96.8 80.6 -70.1 -43.0 18.4 -3.9 -9.1 45 58 A E < + 0 0 73 -4,-2.6 -1,-0.1 -5,-0.2 -4,-0.0 -0.549 55.0 179.2 -70.5 107.4 18.0 -7.6 -9.3 46 59 A K + 0 0 191 -2,-0.8 -1,-0.1 4,-0.0 2,-0.1 -0.054 48.7 102.6 -99.0 31.2 20.9 -8.9 -11.4 47 60 A R S S- 0 0 192 2,-0.2 3,-0.0 1,-0.1 -2,-0.0 -0.401 88.4 -96.8-103.8-177.5 19.9 -12.5 -11.0 48 61 A S S S+ 0 0 95 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.947 106.5 24.5 -65.5 -50.3 18.1 -15.0 -13.3 49 62 A I + 0 0 47 1,-0.1 32,-0.2 32,-0.1 -2,-0.2 -0.805 54.5 175.5-116.9 158.8 14.6 -14.4 -11.8 50 63 A K + 0 0 37 30,-2.3 2,-0.4 1,-0.3 31,-0.2 0.641 69.9 9.3-122.5 -66.2 13.1 -11.5 -9.9 51 64 A K E -F 80 0B 69 29,-1.2 29,-1.9 2,-0.0 2,-0.4 -0.988 63.0-172.1-128.3 130.5 9.4 -12.0 -9.1 52 65 A V E -F 79 0B 42 -2,-0.4 2,-0.4 27,-0.2 27,-0.3 -0.969 11.4-146.4-126.5 139.1 7.4 -15.2 -9.6 53 66 A W E -F 78 0B 22 25,-3.8 25,-3.2 -2,-0.4 2,-0.5 -0.832 7.8-152.2-103.0 139.2 3.7 -15.9 -9.3 54 67 A T E -F 77 0B 13 -2,-0.4 9,-2.2 23,-0.3 2,-0.4 -0.923 12.1-167.7-113.2 131.1 2.2 -19.1 -8.1 55 68 A F E +Fg 76 63B 0 21,-4.6 21,-1.9 -2,-0.5 20,-0.3 -0.905 31.4 85.4-118.2 145.8 -1.2 -20.3 -9.2 56 69 A G E S- g 0 64B 0 7,-1.8 9,-2.4 -2,-0.4 17,-0.3 -0.985 86.9 -50.9 160.3-167.8 -3.4 -23.1 -7.9 57 70 A R S S+ 0 0 95 15,-1.8 16,-0.2 -2,-0.3 17,-0.2 0.413 96.4 108.2 -79.4 1.8 -6.1 -24.1 -5.3 58 71 A N - 0 0 43 15,-3.0 -2,-0.2 14,-0.3 3,-0.2 -0.695 66.1-147.0 -84.7 127.8 -3.9 -22.7 -2.6 59 72 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.650 102.6 56.1 -66.2 -12.2 -5.2 -19.5 -0.9 60 73 A A S S+ 0 0 84 3,-0.1 -6,-0.1 13,-0.0 4,-0.1 0.876 83.5 103.8 -83.0 -43.2 -1.5 -18.5 -0.5 61 74 A C S S- 0 0 9 1,-0.2 -6,-0.2 -3,-0.2 -5,-0.1 0.004 87.3-117.5 -39.8 139.6 -0.8 -18.9 -4.2 62 75 A D S S+ 0 0 80 -8,-0.3 2,-0.4 1,-0.2 -7,-0.2 0.719 107.2 48.5 -56.2 -18.7 -0.4 -15.6 -5.9 63 76 A Y E S-g 55 0B 2 -9,-2.2 -7,-1.8 -5,-0.1 2,-0.8 -0.978 75.5-152.2-129.6 122.0 -3.5 -16.9 -7.9 64 77 A H E +g 56 0B 97 -2,-0.4 -7,-0.2 1,-0.2 -9,-0.1 -0.811 17.0 175.8 -95.5 107.9 -6.6 -18.4 -6.3 65 78 A L - 0 0 11 -9,-2.4 -1,-0.2 -2,-0.8 -8,-0.2 0.989 34.7-121.1 -72.0 -77.3 -8.2 -20.8 -8.7 66 79 A G - 0 0 32 2,-0.1 -1,-0.1 -36,-0.1 -36,-0.0 -0.569 52.6 -37.8 172.7-102.7 -11.2 -22.3 -6.8 67 80 A N + 0 0 135 -2,-0.2 2,-0.6 0, 0.0 3,-0.1 -0.344 69.2 145.5-156.2 65.0 -11.8 -25.9 -6.0 68 81 A I > - 0 0 20 1,-0.1 3,-1.8 4,-0.1 -11,-0.1 -0.929 35.8-157.3-112.0 118.8 -10.8 -28.3 -8.8 69 82 A S T 3 S+ 0 0 113 -2,-0.6 -1,-0.1 1,-0.3 51,-0.1 0.861 95.3 63.6 -58.3 -37.2 -9.5 -31.7 -8.0 70 83 A R T 3 S+ 0 0 91 50,-0.1 50,-0.4 56,-0.1 2,-0.3 0.681 99.5 68.9 -61.8 -17.0 -7.8 -31.9 -11.4 71 84 A L S < S- 0 0 5 -3,-1.8 2,-0.2 49,-0.2 -15,-0.1 -0.807 79.8-132.6-107.3 147.8 -5.7 -28.9 -10.2 72 85 A S > - 0 0 17 -2,-0.3 -15,-1.8 -17,-0.1 3,-1.0 -0.500 33.0 -98.4 -93.1 164.9 -3.0 -28.8 -7.5 73 86 A N T 3 S+ 0 0 81 1,-0.3 -15,-3.0 -17,-0.3 2,-0.5 0.917 127.0 19.7 -43.2 -52.7 -2.6 -26.4 -4.6 74 87 A K T 3 S+ 0 0 92 -18,-0.3 -18,-0.3 17,-0.2 -1,-0.3 -0.804 79.3 170.4-121.3 81.1 0.0 -24.6 -6.8 75 88 A H < + 0 0 0 -3,-1.0 16,-1.7 -2,-0.5 2,-0.3 0.901 64.9 0.5 -61.2 -45.9 -0.8 -25.8 -10.3 76 89 A F E -FH 55 90B 3 -21,-1.9 -21,-4.6 14,-0.2 2,-0.4 -0.981 59.4-154.4-146.7 157.8 1.4 -23.4 -12.1 77 90 A Q E -FH 54 89B 46 12,-4.3 12,-3.5 -2,-0.3 2,-0.4 -0.994 6.3-152.6-135.6 140.8 4.0 -20.6 -11.4 78 91 A I E -FH 53 88B 2 -25,-3.2 -25,-3.8 -2,-0.4 2,-0.4 -0.947 11.7-165.3-117.0 131.1 5.1 -17.6 -13.6 79 92 A L E -FH 52 87B 6 8,-2.4 8,-2.7 -2,-0.4 2,-0.4 -0.888 5.1-159.1-116.7 146.7 8.6 -16.0 -13.2 80 93 A L E +FH 51 86B 3 -29,-1.9 -30,-2.3 -2,-0.4 -29,-1.2 -0.984 48.5 100.8-125.2 127.9 9.9 -12.7 -14.5 81 94 A G + 0 0 11 4,-0.6 3,-0.2 -2,-0.4 -32,-0.1 0.283 44.5 111.4-170.3 -35.4 13.5 -11.9 -15.0 82 95 A E S S- 0 0 82 1,-0.2 2,-3.1 3,-0.2 5,-0.1 0.139 92.8 -70.3 -48.0 172.1 14.6 -12.2 -18.7 83 96 A D S S- 0 0 147 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 -0.353 107.2 -44.0 -69.1 68.7 15.5 -9.1 -20.6 84 97 A G S S+ 0 0 4 -2,-3.1 -1,-0.2 1,-0.4 -2,-0.1 0.094 120.4 108.3 93.6 -23.6 12.0 -7.8 -20.7 85 98 A N - 0 0 51 57,-0.1 -4,-0.6 1,-0.1 -1,-0.4 -0.260 62.1-128.3 -81.2 172.1 10.5 -11.2 -21.6 86 99 A L E -H 80 0B 6 -6,-0.1 25,-2.3 -5,-0.1 2,-0.4 -0.836 9.2-145.2-121.8 160.1 8.5 -13.5 -19.2 87 100 A L E -HI 79 110B 33 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.5 -0.985 4.1-154.4-128.8 136.5 8.8 -17.1 -18.1 88 101 A L E -HI 78 109B 10 21,-2.1 21,-1.0 -2,-0.4 2,-0.5 -0.938 10.2-167.3-112.8 122.6 6.0 -19.6 -17.4 89 102 A N E -HI 77 108B 21 -12,-3.5 -12,-4.3 -2,-0.5 2,-0.3 -0.937 12.3-143.5-114.9 122.0 6.8 -22.4 -15.0 90 103 A D E +H 76 0B 2 17,-0.8 16,-3.3 -2,-0.5 -14,-0.2 -0.627 25.4 166.4 -82.0 133.7 4.4 -25.4 -14.6 91 104 A I + 0 0 26 -16,-1.7 -17,-0.2 -2,-0.3 -15,-0.2 -0.111 28.2 129.9-139.5 37.8 4.1 -26.8 -11.1 92 105 A S - 0 0 0 1,-0.1 4,-0.1 -19,-0.1 -17,-0.1 -0.633 61.0-130.3 -96.3 156.2 1.0 -29.0 -11.2 93 106 A T S S+ 0 0 118 -2,-0.2 -1,-0.1 1,-0.2 -22,-0.1 0.853 113.6 29.1 -68.9 -35.8 0.7 -32.6 -10.0 94 107 A N S S- 0 0 48 -24,-0.3 -1,-0.2 1,-0.3 2,-0.1 0.655 123.2 -99.4 -98.6 -19.7 -0.9 -33.6 -13.3 95 108 A G - 0 0 4 -20,-0.1 25,-0.7 9,-0.0 2,-0.4 -0.402 24.4 -95.1 121.0 161.6 0.8 -31.0 -15.5 96 109 A T E -C 119 0A 4 7,-0.4 7,-1.9 -4,-0.1 2,-0.4 -0.927 33.7-147.0-117.5 138.0 0.3 -27.6 -17.2 97 110 A W E -CD 118 102A 34 21,-3.8 21,-2.9 -2,-0.4 2,-0.5 -0.845 8.5-159.0-112.2 148.5 -0.8 -27.2 -20.8 98 111 A L E > S-CD 117 101A 46 3,-3.0 3,-3.3 -2,-0.4 19,-0.2 -0.969 79.4 -32.4-124.1 113.3 -0.1 -24.6 -23.5 99 112 A N T 3 S- 0 0 106 17,-1.3 -1,-0.1 -2,-0.5 18,-0.1 0.841 126.5 -45.4 44.3 43.5 -2.6 -24.4 -26.3 100 113 A G T 3 S+ 0 0 58 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.288 120.6 110.1 88.0 -11.4 -3.3 -28.1 -26.0 101 114 A Q E < -D 98 0A 140 -3,-3.3 -3,-3.0 0, 0.0 2,-0.3 -0.884 65.9-135.2-104.8 118.5 0.3 -29.0 -25.8 102 115 A K E -D 97 0A 108 -2,-0.6 -5,-0.2 -5,-0.3 2,-0.2 -0.524 21.6-152.8 -72.4 128.5 1.6 -30.2 -22.4 103 116 A V - 0 0 21 -7,-1.9 -7,-0.4 -2,-0.3 2,-0.3 -0.545 30.1 -82.7 -98.5 166.1 4.9 -28.7 -21.3 104 117 A E > - 0 0 149 -2,-0.2 3,-1.0 1,-0.1 -14,-0.4 -0.514 52.3-113.2 -69.9 126.7 7.6 -30.1 -19.1 105 118 A K T 3 S+ 0 0 83 -2,-0.3 -14,-0.2 1,-0.3 3,-0.1 -0.041 98.4 15.0 -54.3 163.4 6.7 -29.6 -15.4 106 119 A N T 3 S+ 0 0 97 -16,-3.3 2,-0.4 1,-0.2 -1,-0.3 0.767 102.1 135.9 35.8 35.4 8.9 -27.2 -13.4 107 120 A S < - 0 0 6 -3,-1.0 -17,-0.8 -17,-0.2 2,-0.5 -0.863 55.2-127.9-111.9 145.0 10.2 -26.1 -16.8 108 121 A N E +I 89 0B 89 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.792 29.5 179.5 -95.1 129.5 10.7 -22.5 -17.9 109 122 A Q E -I 88 0B 70 -21,-1.0 -21,-2.1 -2,-0.5 2,-0.2 -0.946 33.5-103.3-129.1 150.0 9.2 -21.4 -21.1 110 123 A L E -I 87 0B 101 -2,-0.3 -23,-0.2 -23,-0.2 -25,-0.0 -0.518 44.1-113.0 -72.5 132.3 9.2 -18.0 -23.0 111 124 A L - 0 0 18 -25,-2.3 2,-0.3 -2,-0.2 -1,-0.1 -0.199 28.8-145.3 -64.1 156.6 5.9 -16.1 -22.7 112 125 A S > - 0 0 59 20,-0.0 3,-1.5 0, 0.0 2,-0.4 -0.892 25.2 -94.7-124.6 154.1 3.6 -15.6 -25.6 113 126 A Q T 3 S- 0 0 121 -2,-0.3 20,-0.1 1,-0.3 3,-0.1 -0.537 109.0 -12.5 -70.8 121.7 1.4 -12.7 -26.7 114 127 A G T 3 S+ 0 0 29 -2,-0.4 -1,-0.3 18,-0.2 19,-0.2 0.746 99.9 173.2 58.1 22.8 -2.2 -13.4 -25.4 115 128 A D < - 0 0 9 -3,-1.5 17,-3.5 17,-0.3 2,-0.3 0.079 20.4-141.3 -53.6 171.8 -0.9 -16.9 -24.7 116 129 A E E - E 0 131A 54 15,-0.3 -17,-1.3 -3,-0.1 2,-0.5 -0.993 7.5-156.1-145.3 135.3 -3.1 -19.4 -22.9 117 130 A I E -CE 98 130A 5 13,-3.0 13,-2.5 -2,-0.3 2,-0.4 -0.944 9.2-156.7-115.0 127.9 -2.4 -22.1 -20.3 118 131 A T E +CE 97 129A 23 -21,-2.9 -21,-3.8 -2,-0.5 2,-0.3 -0.840 17.0 175.4-104.3 137.2 -4.7 -25.1 -19.9 119 132 A V E +CE 96 128A 0 9,-4.1 9,-4.1 -2,-0.4 -23,-0.1 -0.957 48.0 50.7-140.2 158.3 -4.8 -27.1 -16.6 120 133 A G > + 0 0 0 -25,-0.7 3,-0.6 -50,-0.4 2,-0.2 0.853 68.0 177.6 84.5 37.7 -6.6 -29.9 -15.0 121 134 A V T 3 + 0 0 40 -26,-0.4 -1,-0.2 -51,-0.2 3,-0.1 -0.526 43.7 78.5 -79.7 140.5 -6.2 -32.3 -17.8 122 135 A G T 3 S+ 0 0 56 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 -0.097 89.0 53.3 155.5 -36.8 -7.5 -35.9 -17.5 123 136 A V S X S- 0 0 66 -3,-0.6 3,-1.7 1,-0.1 -1,-0.2 -0.983 75.3-133.8-126.3 133.0 -11.1 -35.4 -18.2 124 137 A E T 3 S+ 0 0 191 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.877 110.5 36.1 -50.7 -44.6 -12.5 -33.7 -21.3 125 138 A S T 3 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.320 109.3 66.8 -93.3 6.5 -15.0 -31.7 -19.2 126 139 A D S < S+ 0 0 62 -3,-1.7 2,-0.4 -6,-0.1 -1,-0.2 0.028 74.2 109.4-117.3 29.4 -12.6 -31.2 -16.2 127 140 A I - 0 0 56 -3,-0.5 2,-0.4 -5,-0.1 -7,-0.2 -0.852 50.5-156.0-107.4 139.3 -10.1 -29.0 -17.8 128 141 A L E - E 0 119A 0 -9,-4.1 -9,-4.1 -2,-0.4 2,-0.3 -0.938 7.8-157.2-116.5 134.4 -9.6 -25.3 -17.0 129 142 A S E - E 0 118A 11 -2,-0.4 -102,-0.8 -11,-0.3 -103,-0.3 -0.848 6.3-169.4-114.9 150.4 -8.0 -22.8 -19.3 130 143 A L E - E 0 117A 1 -13,-2.5 -13,-3.0 -2,-0.3 2,-0.4 -0.990 12.0-143.3-136.0 143.4 -6.3 -19.4 -18.7 131 144 A V E -BE 24 116A 20 -107,-3.2 -107,-3.7 -2,-0.3 2,-0.5 -0.899 10.1-148.1-111.4 135.9 -5.2 -16.6 -21.0 132 145 A I E -B 23 0A 2 -17,-3.5 2,-0.6 -2,-0.4 -17,-0.3 -0.895 9.4-166.8-106.2 124.0 -2.0 -14.6 -20.5 133 146 A F E -B 22 0A 100 -111,-3.8 -111,-3.0 -2,-0.5 2,-0.4 -0.937 11.5-146.8-113.1 117.1 -1.9 -11.0 -21.6 134 147 A I E -B 21 0A 20 -2,-0.6 2,-0.8 -113,-0.2 -113,-0.2 -0.658 16.4-125.8 -85.0 134.0 1.4 -9.2 -21.8 135 148 A N > - 0 0 30 -115,-1.4 4,-1.5 -2,-0.4 3,-0.3 -0.692 15.8-164.4 -82.2 109.9 1.6 -5.5 -20.9 136 149 A D H > S+ 0 0 122 -2,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.849 88.7 60.7 -60.7 -35.2 3.3 -3.7 -23.9 137 150 A K H > S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.908 101.7 52.1 -58.9 -44.1 3.8 -0.7 -21.6 138 151 A F H > S+ 0 0 13 -3,-0.3 4,-2.2 1,-0.2 3,-0.2 0.906 105.1 55.2 -59.3 -44.0 5.9 -2.7 -19.2 139 152 A K H X S+ 0 0 91 -4,-1.5 4,-3.1 1,-0.2 -1,-0.2 0.851 102.0 59.0 -58.5 -36.3 8.1 -4.0 -22.1 140 153 A Q H X S+ 0 0 117 -4,-1.5 4,-1.7 -3,-0.2 -1,-0.2 0.922 107.6 44.6 -60.0 -46.4 8.8 -0.3 -23.1 141 154 A C H X S+ 0 0 41 -4,-1.4 4,-3.5 -3,-0.2 5,-0.3 0.918 116.7 45.5 -64.9 -45.0 10.3 0.5 -19.6 142 155 A L H < S+ 0 0 22 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.889 110.2 54.6 -65.9 -40.3 12.3 -2.7 -19.5 143 156 A E H < S+ 0 0 149 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.858 120.1 32.6 -61.9 -36.4 13.5 -2.2 -23.1 144 157 A Q H < S- 0 0 142 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.826 85.8-168.8 -88.4 -37.1 14.8 1.2 -22.2 145 158 A N < + 0 0 88 -4,-3.5 2,-0.4 -5,-0.2 -3,-0.1 0.938 18.9 173.3 42.8 71.7 15.8 0.5 -18.6 146 159 A K - 0 0 152 -5,-0.3 2,-0.4 2,-0.0 -1,-0.2 -0.861 24.8-138.0-111.4 144.7 16.3 4.1 -17.5 147 160 A V + 0 0 84 -2,-0.4 3,-0.1 1,-0.1 -107,-0.0 -0.809 24.2 169.1-103.1 141.1 17.1 5.3 -14.0 148 161 A D S S+ 0 0 150 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.058 70.2 63.0-138.7 32.7 15.5 8.4 -12.5 149 162 A R + 0 0 218 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.006 65.3 131.4-147.2 31.1 16.5 8.2 -8.8 150 163 A I 0 0 143 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.774 360.0 360.0 -94.1 130.7 20.3 8.3 -8.9 151 164 A R 0 0 297 -2,-0.5 -1,-0.2 0, 0.0 0, 0.0 0.341 360.0 360.0-161.3 360.0 22.0 10.7 -6.4