==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN KINASE 11-OCT-95 2CSN . COMPND 2 MOLECULE: CASEIN KINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR R.-M.XU,X.CHENG . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 66.2 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 . 47 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 1 0 0 0 0 0 1 1 0 2 0 0 1 0 1 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 . 2 2 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A N 0 0 157 0, 0.0 8,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.1 -43.9 50.8 55.7 2 7 A V E -A 8 0A 72 6,-0.2 2,-0.3 4,-0.0 3,-0.2 -0.981 360.0-178.1-128.3 126.3 -42.6 53.9 57.5 3 8 A V E > +A 7 0A 4 4,-3.2 4,-2.1 -2,-0.4 69,-0.1 -0.793 64.1 23.8-118.8 163.1 -39.5 54.2 59.8 4 9 A G T 4 S- 0 0 2 -2,-0.3 2,-2.9 1,-0.2 -1,-0.2 0.831 116.8 -83.7 54.6 34.5 -37.9 57.0 61.7 5 10 A V T 4 S+ 0 0 131 -3,-0.2 -1,-0.2 1,-0.2 0, 0.0 -0.341 126.6 34.5 69.7 -62.7 -41.3 58.7 61.8 6 11 A H T 4 S+ 0 0 50 -2,-2.9 21,-2.4 -4,-0.1 22,-0.6 -0.035 91.9 97.5-118.1 35.8 -40.9 60.3 58.4 7 12 A Y E < -AB 3 26A 13 -4,-2.1 -4,-3.2 19,-0.2 2,-0.4 -0.983 54.7-151.8-125.1 122.3 -38.9 57.9 56.2 8 13 A K E -AB 2 25A 107 17,-2.8 17,-1.6 -2,-0.4 2,-0.4 -0.762 15.1-134.1 -94.1 134.2 -40.7 55.5 53.7 9 14 A V E + B 0 24A 25 -8,-2.0 15,-0.2 -2,-0.4 3,-0.1 -0.704 25.8 176.7 -91.0 132.2 -39.0 52.3 52.9 10 15 A G E - 0 0 35 13,-3.4 2,-0.2 -2,-0.4 14,-0.1 0.340 43.8 -39.5 -98.3-124.8 -38.8 51.2 49.2 11 16 A R E - 0 0 182 1,-0.1 12,-2.4 11,-0.0 -1,-0.3 -0.633 65.2 -86.1-106.9 161.9 -37.0 48.1 47.8 12 17 A R E + B 0 22A 137 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.340 40.1 169.1 -66.7 142.1 -33.7 46.4 48.7 13 18 A I E + 0 0 93 8,-3.0 2,-0.3 1,-0.5 9,-0.2 0.367 69.6 17.9-130.5 -5.4 -30.7 47.8 46.9 14 19 A G E - B 0 21A 26 7,-1.6 7,-2.8 2,-0.0 -1,-0.5 -0.979 55.3-173.1-163.7 151.5 -28.1 46.0 48.9 15 20 A E E + B 0 20A 147 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.929 18.4 155.3-153.0 124.2 -27.8 43.0 51.3 16 21 A G E > - B 0 19A 44 3,-3.2 3,-1.2 -2,-0.3 -2,-0.0 -0.721 60.3 -87.0-135.7-172.7 -24.7 42.0 53.2 17 22 A S T 3 S+ 0 0 111 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.898 125.2 61.4 -67.2 -34.3 -23.9 40.1 56.4 18 23 A F T 3 S- 0 0 75 1,-0.2 2,-0.3 20,-0.1 -1,-0.3 0.285 122.3 -86.0 -75.0 7.3 -24.4 43.3 58.3 19 24 A G E < -B 16 0A 11 -3,-1.2 -3,-3.2 19,-0.1 2,-0.3 -0.804 54.7 -51.1 125.6-163.3 -28.0 43.5 57.2 20 25 A V E -BC 15 37A 26 17,-1.4 17,-2.6 -2,-0.3 2,-0.4 -0.786 37.4-147.7-114.3 157.8 -30.2 44.8 54.3 21 26 A I E -BC 14 36A 44 -7,-2.8 -8,-3.0 -2,-0.3 -7,-1.6 -1.000 15.2-168.4-131.8 125.6 -30.2 48.2 52.7 22 27 A F E -BC 12 35A 41 13,-2.3 13,-2.6 -2,-0.4 2,-0.3 -0.776 21.2-125.2-111.4 154.8 -33.4 49.7 51.2 23 28 A E E + C 0 34A 49 -12,-2.4 -13,-3.4 -2,-0.3 2,-0.3 -0.736 44.3 160.4 -93.2 149.9 -33.9 52.7 49.0 24 29 A G E -BC 9 33A 2 9,-2.2 9,-2.1 -2,-0.3 2,-0.3 -0.943 33.8-119.9-156.8-176.9 -36.4 55.1 50.5 25 30 A T E -BC 8 32A 31 -17,-1.6 -17,-2.8 -2,-0.3 2,-0.7 -0.958 21.9-124.6-137.7 141.2 -37.8 58.7 50.5 26 31 A N E > -B 7 0A 10 5,-2.3 4,-2.3 -2,-0.3 5,-0.3 -0.852 20.9-149.6 -84.6 120.4 -37.9 61.3 53.3 27 32 A L T 4 S+ 0 0 95 -21,-2.4 -1,-0.1 -2,-0.7 -20,-0.1 0.711 88.0 59.9 -67.6 -20.4 -41.6 62.2 53.5 28 33 A L T 4 S+ 0 0 132 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.968 128.7 3.8 -72.3 -53.7 -40.9 65.8 54.6 29 34 A N T 4 S- 0 0 93 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.437 93.7-120.2-111.9 -6.5 -38.8 67.1 51.7 30 35 A N < + 0 0 125 -4,-2.3 -3,-0.1 1,-0.2 2,-0.1 0.696 55.3 157.3 72.4 22.6 -38.9 64.1 49.3 31 36 A Q - 0 0 62 -5,-0.3 -5,-2.3 1,-0.1 2,-0.4 -0.457 44.4-115.5 -75.2 148.1 -35.1 63.7 49.3 32 37 A Q E +C 25 0A 92 -7,-0.2 50,-1.4 -2,-0.1 2,-0.3 -0.761 41.8 172.6 -90.5 136.4 -33.9 60.2 48.4 33 38 A V E -CD 24 81A 0 -9,-2.1 -9,-2.2 -2,-0.4 2,-0.4 -0.858 31.9-124.2-137.8 167.9 -32.1 58.2 51.1 34 39 A A E -CD 23 80A 9 46,-2.8 46,-2.8 -2,-0.3 2,-0.6 -0.963 22.9-153.3-113.5 134.5 -30.7 54.7 51.8 35 40 A I E -CD 22 79A 0 -13,-2.6 -13,-2.3 -2,-0.4 2,-0.4 -0.934 5.1-156.9-116.3 111.4 -31.9 53.0 54.9 36 41 A K E -CD 21 78A 9 42,-3.4 42,-2.1 -2,-0.6 2,-0.5 -0.708 6.2-162.3 -88.9 131.5 -29.6 50.5 56.5 37 42 A F E -CD 20 77A 26 -17,-2.6 -17,-1.4 -2,-0.4 40,-0.2 -0.968 6.7-175.0-118.0 121.1 -31.2 47.9 58.7 38 43 A E E - D 0 76A 7 38,-2.9 38,-2.9 -2,-0.5 2,-0.2 -0.926 25.5-126.0-116.1 129.4 -29.1 45.9 61.1 39 44 A P E - D 0 75A 42 0, 0.0 2,-1.0 0, 0.0 36,-0.2 -0.577 29.0-115.8 -72.9 136.0 -30.7 43.0 63.2 40 45 A R + 0 0 119 34,-2.2 2,-0.3 -2,-0.2 3,-0.1 -0.629 58.3 145.3 -75.1 105.0 -30.1 43.5 66.9 41 46 A R > - 0 0 146 -2,-1.0 3,-0.9 3,-0.1 33,-0.0 -0.995 58.6-108.4-145.4 149.5 -27.9 40.5 67.9 42 47 A S T 3 S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.817 114.3 36.1 -36.2 -60.8 -25.0 39.7 70.3 43 48 A D T 3 S+ 0 0 124 2,-0.1 -1,-0.2 -3,-0.1 3,-0.0 0.643 91.0 108.7 -77.0 -16.9 -22.1 39.4 67.8 44 49 A A S < S- 0 0 26 -3,-0.9 -3,-0.1 1,-0.1 3,-0.1 -0.460 76.9-111.2 -70.9 126.6 -23.3 42.2 65.4 45 50 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.279 43.1 -98.9 -57.2 124.2 -21.1 45.4 65.3 46 51 A Q > - 0 0 103 1,-0.2 4,-0.6 2,-0.1 3,-0.2 -0.098 22.3-151.2 -44.7 135.3 -23.1 48.3 66.8 47 52 A L H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.663 92.7 71.6 -84.2 -16.4 -24.6 50.5 64.1 48 53 A R H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.840 90.9 57.3 -66.7 -32.7 -24.4 53.4 66.5 49 54 A D H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 106.0 50.2 -65.9 -37.7 -20.6 53.5 66.1 50 55 A E H X S+ 0 0 6 -4,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.929 109.5 50.3 -64.9 -45.3 -21.0 53.9 62.4 51 56 A Y H X S+ 0 0 57 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.891 110.2 50.7 -60.2 -41.5 -23.5 56.8 63.0 52 57 A R H X S+ 0 0 125 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.955 111.2 47.8 -61.8 -48.0 -21.0 58.4 65.3 53 58 A T H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.869 110.3 51.5 -59.2 -43.0 -18.2 58.1 62.7 54 59 A Y H X S+ 0 0 6 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.930 111.5 48.1 -60.3 -43.4 -20.5 59.5 60.0 55 60 A K H >< S+ 0 0 114 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.884 109.7 53.1 -64.2 -35.8 -21.2 62.5 62.3 56 61 A L H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.902 114.9 40.3 -64.7 -42.3 -17.5 62.9 63.0 57 62 A L H >< S+ 0 0 0 -4,-2.2 3,-2.3 -5,-0.1 -1,-0.2 0.395 85.7 133.7 -88.0 0.4 -16.7 63.0 59.2 58 63 A A T << + 0 0 58 -3,-0.6 3,-0.1 -4,-0.6 7,-0.1 -0.256 69.4 27.7 -54.0 133.8 -19.7 65.2 58.4 59 64 A G T 3 S+ 0 0 79 1,-0.4 2,-0.3 4,-0.3 -1,-0.3 0.279 92.3 126.1 95.3 -14.6 -18.8 68.1 56.2 60 65 A C X - 0 0 25 -3,-2.3 3,-1.5 4,-0.1 -1,-0.4 -0.608 70.0-103.3 -80.0 139.1 -15.9 66.1 54.7 61 66 A T T 3 S+ 0 0 88 -2,-0.3 55,-0.1 1,-0.3 -1,-0.1 -0.395 103.1 14.2 -63.4 131.7 -15.9 65.8 50.9 62 67 A G T 3 S+ 0 0 6 1,-0.2 85,-1.9 -2,-0.1 -1,-0.3 0.629 96.2 112.4 81.2 12.5 -17.0 62.4 49.6 63 68 A I < - 0 0 9 -3,-1.5 -4,-0.3 83,-0.2 -1,-0.2 -0.986 68.0-124.8-116.2 120.7 -18.6 61.3 52.9 64 69 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.100 25.9-101.4 -61.4 167.9 -22.3 61.0 52.7 65 70 A N - 0 0 81 -7,-0.1 16,-1.3 -6,-0.1 2,-0.3 -0.650 28.7-145.6 -89.4 145.8 -24.7 62.8 55.0 66 71 A V E +E 80 0A 26 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.814 18.9 175.9-108.7 150.8 -26.3 60.9 57.8 67 72 A Y E + 0 0 73 12,-2.3 2,-0.3 1,-0.4 13,-0.1 0.643 54.6 2.5-128.7 -27.0 -29.8 61.7 58.9 68 73 A Y E -E 79 0A 65 11,-0.8 11,-2.1 2,-0.0 -1,-0.4 -0.987 41.9-171.4-165.7 150.1 -31.2 59.4 61.6 69 74 A F E +E 78 0A 28 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.983 32.8 120.5-143.4 138.1 -30.4 56.5 63.9 70 75 A G E -E 77 0A 12 7,-1.2 7,-2.2 -2,-0.3 2,-0.4 -0.958 54.8 -86.2-175.7-174.2 -32.8 54.6 66.0 71 76 A Q E -E 76 0A 94 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.929 27.7-177.6-120.1 141.0 -34.4 51.3 66.8 72 77 A E E > -E 75 0A 62 3,-3.2 3,-1.8 -2,-0.4 -2,-0.0 -0.920 61.4 -58.4-137.2 105.5 -37.4 49.8 65.0 73 78 A G T 3 S- 0 0 65 -2,-0.4 -1,-0.1 1,-0.3 -33,-0.0 -0.274 121.3 -10.1 59.4-131.9 -38.5 46.4 66.3 74 79 A L T 3 S+ 0 0 140 -3,-0.1 -34,-2.2 -35,-0.0 2,-0.3 0.135 127.3 78.5 -85.0 20.8 -35.8 43.8 66.1 75 80 A H E < -DE 39 72A 70 -3,-1.8 -3,-3.2 -36,-0.2 2,-0.4 -0.953 65.7-144.4-135.7 150.0 -33.7 46.2 64.0 76 81 A N E -DE 38 71A 14 -38,-2.9 -38,-2.9 -2,-0.3 2,-0.4 -0.885 27.7-153.7-104.4 138.9 -31.4 49.3 64.2 77 82 A V E -DE 37 70A 0 -7,-2.2 -7,-1.2 -2,-0.4 2,-0.5 -0.970 14.6-172.0-122.3 135.0 -31.8 51.7 61.3 78 83 A L E -DE 36 69A 0 -42,-2.1 -42,-3.4 -2,-0.4 2,-0.6 -0.994 13.1-154.1-122.7 126.3 -29.3 54.2 59.9 79 84 A V E +DE 35 68A 0 -11,-2.1 -12,-2.3 -2,-0.5 -11,-0.8 -0.910 22.5 166.5-108.1 115.0 -30.5 56.6 57.2 80 85 A I E -DE 34 66A 16 -46,-2.8 -46,-2.8 -2,-0.6 -14,-0.2 -0.610 44.1 -76.4-118.2 174.0 -27.9 57.9 54.7 81 86 A D E -D 33 0A 27 -16,-1.3 -48,-0.3 -48,-0.3 2,-0.2 -0.458 54.6-106.9 -66.6 145.7 -27.9 59.8 51.4 82 87 A L - 0 0 19 -50,-1.4 54,-0.2 -2,-0.1 2,-0.2 -0.568 45.8-171.6 -77.7 134.0 -28.8 57.6 48.4 83 88 A L - 0 0 30 -2,-0.2 52,-0.2 1,-0.1 3,-0.1 -0.724 20.8-105.5-122.1 174.2 -25.7 56.9 46.3 84 89 A G - 0 0 10 50,-3.1 52,-0.2 -2,-0.2 -1,-0.1 -0.102 57.3 -59.4 -84.8-168.8 -24.8 55.3 43.0 85 90 A P - 0 0 53 0, 0.0 49,-2.4 0, 0.0 -1,-0.2 -0.139 57.0-101.9 -70.9 168.2 -23.2 51.9 42.4 86 91 A S B >> -F 133 0B 8 47,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.449 29.2-106.6 -87.1 167.8 -19.8 50.9 43.8 87 92 A L H 3> S+ 0 0 0 45,-2.5 4,-0.6 42,-1.0 43,-0.2 0.726 124.2 55.2 -67.0 -18.3 -16.5 50.7 41.9 88 93 A E H 3> S+ 0 0 31 41,-0.8 4,-0.9 44,-0.3 -1,-0.3 0.828 105.3 51.5 -81.0 -32.2 -16.9 46.9 42.0 89 94 A D H <4 S+ 0 0 83 -3,-0.6 4,-0.4 1,-0.2 3,-0.4 0.881 108.9 50.7 -65.6 -44.9 -20.4 47.2 40.4 90 95 A L H X S+ 0 0 8 -4,-2.0 4,-1.0 1,-0.2 3,-0.4 0.686 98.2 67.1 -67.2 -21.4 -18.9 49.3 37.6 91 96 A L H ><>S+ 0 0 1 -4,-0.6 5,-2.8 1,-0.2 3,-0.5 0.888 96.7 55.1 -66.0 -38.8 -16.2 46.8 36.9 92 97 A D T 3<5S+ 0 0 101 -4,-0.9 3,-0.4 -3,-0.4 -1,-0.2 0.736 108.3 50.0 -65.7 -20.0 -18.8 44.3 35.7 93 98 A L T 345S+ 0 0 135 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.684 110.0 49.8 -92.2 -16.9 -19.9 47.0 33.3 94 99 A C T <<5S- 0 0 30 -4,-1.0 3,-0.5 -3,-0.5 -1,-0.2 -0.002 124.9 -84.8-113.3 30.7 -16.4 47.7 31.9 95 100 A G T 5S- 0 0 45 -3,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.589 75.8 -73.2 81.4 8.8 -15.1 44.3 31.1 96 101 A R S > - 0 0 48 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.521 35.0-106.2 -86.9 158.2 -7.9 51.7 32.0 100 105 A V H 3> S+ 0 0 30 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.891 121.1 56.2 -46.8 -43.0 -4.8 53.4 33.4 101 106 A K H 3> S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.917 109.2 43.7 -57.9 -49.2 -6.7 56.7 33.0 102 107 A T H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 5,-0.2 0.882 114.9 50.2 -65.9 -36.4 -9.7 55.7 35.1 103 108 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.931 111.2 47.2 -68.7 -44.6 -7.5 54.1 37.7 104 109 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.887 115.8 45.2 -64.7 -38.2 -5.3 57.1 38.1 105 110 A M H X S+ 0 0 1 -4,-2.0 4,-1.0 -5,-0.3 -1,-0.2 0.845 116.5 44.5 -73.0 -38.4 -8.3 59.5 38.3 106 111 A A H >X S+ 0 0 1 -4,-2.1 4,-3.4 2,-0.2 3,-0.5 0.923 109.3 58.6 -69.4 -44.0 -10.2 57.3 40.7 107 112 A A H 3X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.3 5,-0.3 0.929 102.5 53.3 -50.9 -51.1 -7.0 56.8 42.7 108 113 A K H 3X S+ 0 0 22 -4,-1.9 4,-1.2 1,-0.2 -1,-0.3 0.867 114.7 40.4 -56.5 -37.5 -6.7 60.5 43.3 109 114 A Q H <>S+ 0 0 0 -4,-1.4 5,-2.1 1,-0.2 3,-1.2 0.919 110.4 50.1 -69.8 -40.6 -10.4 59.7 57.4 118 123 A H H ><5S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.851 104.7 57.8 -67.0 -34.3 -6.8 59.7 58.7 119 124 A E T 3<5S+ 0 0 109 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.574 101.1 55.7 -73.8 -9.7 -6.9 63.4 59.5 120 125 A K T < 5S- 0 0 79 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.169 126.3-106.8-101.9 12.2 -9.9 62.7 61.7 121 126 A S T < 5S+ 0 0 5 -3,-1.7 35,-2.2 1,-0.3 36,-0.7 0.540 81.0 120.5 74.0 17.6 -7.6 60.2 63.5 122 127 A L E < -H 155 0C 1 -5,-2.1 2,-0.4 33,-0.2 -1,-0.3 -0.690 52.5-147.3-111.2 156.3 -9.2 57.1 62.2 123 128 A V E -H 154 0C 2 31,-1.9 31,-1.2 -2,-0.3 69,-0.1 -0.985 13.8-144.7-117.8 133.3 -7.9 54.2 60.1 124 129 A Y - 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0 0 81 -5,-1.7 -19,-0.2 -19,-0.2 -1,-0.2 -0.510 56.6 -91.3 -87.5 153.5 -0.0 43.1 63.4 189 194 A E - 0 0 2 -21,-2.4 2,-0.3 -2,-0.2 -1,-0.1 -0.418 47.2-119.1 -63.7 133.2 -2.0 46.1 64.5 190 195 A Q + 0 0 19 -2,-0.2 2,-0.2 -6,-0.1 -1,-0.1 -0.549 38.2 166.3 -82.1 136.6 -3.2 48.2 61.5 191 196 A S >> - 0 0 0 -2,-0.3 4,-1.1 -69,-0.0 3,-0.7 -0.611 54.9 -68.6-131.8-172.8 -2.2 51.8 60.9 192 197 A R H >> S+ 0 0 10 1,-0.3 4,-2.1 68,-0.2 3,-1.6 0.926 127.2 59.3 -45.5 -51.0 -2.3 54.4 58.1 193 198 A R H 3> S+ 0 0 28 67,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.872 100.7 55.2 -48.2 -44.3 0.2 52.5 56.1 194 199 A D H <> S+ 0 0 1 -3,-0.7 4,-1.7 1,-0.2 -1,-0.3 0.785 106.4 49.9 -63.6 -29.1 -2.1 49.5 56.0 195 200 A D H - 0 0 4 -2,-0.3 3,-2.0 1,-0.1 -6,-0.0 -0.861 29.8-115.3-113.9 152.1 -4.8 39.6 41.7 212 217 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 20,-0.0 0.735 112.4 54.8 -54.4 -27.6 -2.3 36.7 41.7 213 218 A W T 3 S+ 0 0 3 -35,-0.1 3,-0.3 15,-0.0 2,-0.3 0.129 78.4 124.0 -97.5 19.6 -3.7 35.3 45.0 214 219 A Q S < S+ 0 0 64 -3,-2.0 -4,-0.0 1,-0.2 0, 0.0 -0.612 75.2 5.2 -83.6 140.3 -7.4 35.0 44.0 215 220 A G S S+ 0 0 84 -2,-0.3 -1,-0.2 2,-0.0 0, 0.0 0.982 80.8 175.3 52.5 73.1 -9.2 31.7 44.3 216 221 A L - 0 0 44 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 1.000 31.9 -43.9 -76.3 -79.4 -6.4 29.7 46.0 217 222 A K - 0 0 157 2,-0.0 2,-1.1 0, 0.0 -1,-0.2 -0.943 55.7 -75.9-153.8 175.4 -7.1 26.1 47.2 218 223 A A S S+ 0 0 96 -2,-0.3 2,-0.3 6,-0.0 0, 0.0 -0.669 81.1 101.7 -79.2 96.1 -9.3 23.4 48.9 219 224 A A S S- 0 0 56 -2,-1.1 2,-0.1 2,-0.0 -2,-0.0 -0.910 70.4 -64.6-160.1-178.2 -8.9 24.2 52.6 220 225 A T >> - 0 0 86 -2,-0.3 4,-1.5 1,-0.1 3,-1.1 -0.373 51.6 -98.4 -78.9 164.6 -10.6 25.8 55.7 221 226 A N H 3> S+ 0 0 112 1,-0.3 4,-1.1 2,-0.2 3,-0.2 0.813 122.5 48.1 -50.3 -43.3 -11.4 29.5 56.2 222 227 A K H 3> S+ 0 0 159 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.784 107.7 56.4 -71.7 -27.0 -8.3 30.3 58.4 223 228 A Q H <> S+ 0 0 104 -3,-1.1 4,-3.1 2,-0.2 5,-0.3 0.814 99.3 61.2 -71.9 -31.0 -6.0 28.5 55.8 224 229 A K H X S+ 0 0 106 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.940 106.5 43.9 -61.0 -48.4 -7.3 30.8 53.1 225 230 A Y H X S+ 0 0 45 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.773 115.9 51.1 -68.0 -27.1 -6.0 34.0 54.9 226 231 A E H X S+ 0 0 114 -4,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.978 113.6 39.6 -74.0 -58.8 -2.8 32.1 55.6 227 232 A R H X S+ 0 0 118 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.920 114.8 53.5 -58.6 -47.0 -2.0 30.9 52.0 228 233 A I H X S+ 0 0 10 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.895 108.8 50.9 -55.3 -40.8 -3.1 34.2 50.5 229 234 A G H X S+ 0 0 3 -4,-1.1 4,-1.2 -5,-0.2 -1,-0.2 0.864 109.6 49.1 -65.5 -38.5 -0.7 36.0 52.8 230 235 A E H X S+ 0 0 102 -4,-1.8 4,-1.8 2,-0.2 3,-0.4 0.926 111.3 49.9 -66.6 -43.2 2.1 33.7 51.8 231 236 A K H X S+ 0 0 79 -4,-2.9 4,-2.2 1,-0.3 3,-0.3 0.927 106.5 55.5 -61.5 -44.5 1.3 34.3 48.2 232 237 A K H < S+ 0 0 1 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.822 111.0 45.5 -56.0 -35.4 1.3 38.1 48.8 233 238 A Q H < S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.751 112.7 50.1 -79.3 -29.9 4.8 37.8 50.2 234 239 A S H < S+ 0 0 76 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.2 0.755 92.3 83.9 -80.6 -25.1 6.1 35.6 47.4 235 240 A T S < S- 0 0 5 -4,-2.2 2,-0.1 -5,-0.2 -1,-0.1 -0.681 78.8-141.0 -82.3 107.7 4.8 37.8 44.6 236 241 A P >> - 0 0 68 0, 0.0 4,-2.2 0, 0.0 3,-1.3 -0.425 14.1-121.5 -69.6 144.1 7.4 40.5 44.0 237 242 A L H 3> S+ 0 0 22 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.856 108.7 56.9 -53.5 -44.5 6.2 44.1 43.3 238 243 A R H 34 S+ 0 0 156 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.784 113.0 43.7 -61.4 -22.6 8.0 44.5 39.9 239 244 A E H <4 S+ 0 0 118 -3,-1.3 3,-0.3 2,-0.2 -1,-0.2 0.867 110.6 52.3 -87.2 -42.4 6.1 41.4 38.8 240 245 A L H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.897 122.9 32.6 -60.1 -39.3 2.8 42.4 40.3 241 246 A C S >< S+ 0 0 7 -4,-2.6 3,-1.7 -5,-0.2 -1,-0.2 0.403 84.1 136.8 -97.1 -4.9 3.0 45.7 38.5 242 247 A A T 3 + 0 0 65 -4,-0.4 -3,-0.1 -3,-0.3 -4,-0.0 -0.180 69.9 26.7 -46.6 127.7 4.9 44.7 35.3 243 248 A G T 3 S+ 0 0 81 1,-0.4 -1,-0.2 0, 0.0 3,-0.1 0.438 102.7 85.8 100.7 -4.0 3.4 46.4 32.3 244 249 A F S < S- 0 0 66 -3,-1.7 -1,-0.4 1,-0.1 5,-0.1 -0.763 91.7 -62.2-123.1 170.8 1.8 49.5 33.8 245 250 A P >> - 0 0 27 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.191 46.3-118.0 -54.2 143.3 3.3 53.0 34.6 246 251 A E H >> S+ 0 0 103 1,-0.3 4,-2.7 2,-0.2 3,-0.8 0.854 107.7 76.7 -49.4 -38.1 6.2 53.0 37.1 247 252 A E H 3> S+ 0 0 13 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.774 91.3 53.4 -47.1 -31.3 4.1 55.2 39.3 248 253 A F H <> S+ 0 0 2 -3,-2.2 4,-2.6 2,-0.2 -1,-0.3 0.927 109.8 45.7 -73.7 -41.0 2.1 52.2 40.4 249 254 A Y H X S+ 0 0 49 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.958 113.9 50.3 -54.9 -50.8 6.2 53.4 49.3 255 260 A A H >< S+ 0 0 1 -4,-2.6 3,-0.9 1,-0.2 -58,-0.2 0.898 109.8 49.3 -55.7 -44.2 3.1 52.0 51.0 256 261 A R H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.796 112.0 49.6 -69.9 -24.3 4.8 48.6 51.9 257 262 A N H << S+ 0 0 117 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.373 78.2 119.5 -96.1 0.4 7.8 50.3 53.4 258 263 A L << - 0 0 19 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.0 -0.392 66.8-117.1 -66.2 146.7 6.2 52.9 55.7 259 264 A A > - 0 0 59 1,-0.1 3,-2.3 4,-0.1 -66,-0.2 -0.648 34.5 -99.4 -83.1 147.8 7.1 52.5 59.4 260 265 A F T 3 S+ 0 0 22 1,-0.3 -67,-0.3 -2,-0.3 -68,-0.2 0.714 118.0 25.9 -32.0 -50.1 4.2 51.6 61.7 261 266 A D T 3 S+ 0 0 99 -70,-0.1 -1,-0.3 -69,-0.1 -97,-0.0 0.317 90.1 129.5-106.5 9.3 3.6 55.2 63.0 262 267 A A < - 0 0 28 -3,-2.3 -69,-0.3 1,-0.1 -70,-0.1 -0.301 61.1-123.2 -66.7 142.3 4.9 57.2 60.1 263 268 A T - 0 0 99 -71,-0.1 -1,-0.1 1,-0.0 -4,-0.1 -0.793 33.8-121.5 -84.6 123.1 2.7 59.9 58.7 264 269 A P - 0 0 6 0, 0.0 2,-1.3 0, 0.0 3,-0.2 -0.325 12.9-122.9 -66.5 153.6 2.3 59.1 55.0 265 270 A D >> + 0 0 85 1,-0.2 4,-1.8 2,-0.1 3,-0.8 -0.693 35.4 177.5 -96.3 80.7 3.4 61.8 52.4 266 271 A Y H 3> S+ 0 0 18 -2,-1.3 4,-2.7 1,-0.2 5,-0.2 0.811 74.1 57.5 -54.1 -38.0 -0.0 62.1 50.7 267 272 A D H 3> S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.832 105.9 50.3 -66.3 -32.3 1.2 64.9 48.3 268 273 A Y H <> S+ 0 0 86 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.979 112.5 47.1 -66.8 -52.3 3.9 62.6 47.0 269 274 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.879 113.9 47.3 -56.8 -41.2 1.3 59.8 46.4 270 275 A Q H X S+ 0 0 30 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.889 108.9 54.3 -68.8 -38.3 -1.1 62.2 44.8 271 276 A G H X S+ 0 0 31 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.867 101.6 60.7 -64.0 -35.2 1.7 63.6 42.6 272 277 A L H X S+ 0 0 12 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.951 105.9 45.2 -54.3 -52.4 2.4 60.1 41.4 273 278 A F H X S+ 0 0 0 -4,-1.4 4,-1.1 1,-0.2 -1,-0.3 0.719 110.1 56.3 -67.4 -20.7 -1.0 59.7 40.0 274 279 A S H X S+ 0 0 40 -4,-1.2 4,-2.3 2,-0.2 3,-0.5 0.935 102.6 53.2 -76.1 -42.4 -0.7 63.2 38.5 275 280 A K H X S+ 0 0 107 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.888 104.7 58.3 -56.6 -37.9 2.4 62.2 36.6 276 281 A V H X S+ 0 0 1 -4,-1.7 4,-0.9 1,-0.2 -1,-0.3 0.906 107.4 45.0 -59.3 -41.9 0.4 59.3 35.2 277 282 A L H ><>S+ 0 0 9 -4,-1.1 5,-1.8 -3,-0.5 3,-0.5 0.910 110.4 54.5 -69.9 -39.9 -2.2 61.6 33.7 278 283 A E H ><5S+ 0 0 109 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.939 105.6 52.8 -55.4 -51.9 0.5 63.9 32.3 279 284 A R H 3<5S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.741 107.8 50.7 -57.7 -27.6 2.2 61.0 30.4 280 285 A L T <<5S- 0 0 81 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.344 113.9-123.6 -91.2 4.1 -1.1 60.1 28.8 281 286 A N T < 5S+ 0 0 154 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.934 71.9 114.4 51.3 52.5 -1.4 63.7 27.8 282 287 A T < - 0 0 43 -5,-1.8 -1,-0.2 -181,-0.0 -2,-0.2 -0.946 56.6-130.9-144.0 164.4 -4.8 64.1 29.5 283 288 A T - 0 0 98 -2,-0.3 2,-1.2 -3,-0.1 -3,-0.0 -0.443 41.2 -84.8-107.1-178.8 -6.3 66.0 32.4 284 289 A E S S+ 0 0 94 -2,-0.2 2,-0.2 2,-0.1 -10,-0.0 -0.776 71.1 149.6 -91.7 89.8 -8.4 65.0 35.4 285 290 A D - 0 0 39 -2,-1.2 -3,-0.0 2,-0.1 -180,-0.0 -0.484 61.9 -98.3-108.9-173.1 -11.8 65.2 33.7 286 291 A E S S+ 0 0 90 -2,-0.2 2,-0.7 1,-0.1 -2,-0.1 -0.083 81.6 118.5-104.9 39.3 -15.1 63.2 34.2 287 292 A N + 0 0 77 -186,-0.0 -1,-0.1 3,-0.0 2,-0.1 -0.477 38.9 165.3 -96.9 53.8 -14.4 60.8 31.3 288 293 A F > - 0 0 0 -2,-0.7 3,-2.6 1,-0.1 4,-0.5 -0.445 53.5-103.2 -70.8 153.7 -14.3 57.6 33.4 289 294 A D G > S+ 0 0 36 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.759 120.1 62.1 -45.9 -34.7 -14.6 54.3 31.5 290 295 A W G 3 S+ 0 0 42 1,-0.2 -1,-0.3 -196,-0.0 -2,-0.1 0.407 102.9 50.0 -78.3 1.8 -18.3 54.0 32.6 291 296 A N G < S+ 0 0 83 -3,-2.6 -1,-0.2 2,-0.1 2,-0.2 0.349 102.1 83.2-111.3 -5.1 -19.1 57.1 30.7 292 297 A L < 0 0 91 -3,-1.1 -4,-0.0 -4,-0.5 -5,-0.0 -0.649 360.0 360.0-104.4 162.9 -17.4 56.0 27.5 293 298 A L 0 0 239 -2,-0.2 -2,-0.1 -3,-0.0 -1,-0.0 -0.666 360.0 360.0-102.2 360.0 -18.3 53.9 24.6