==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-AUG-08 3E3B . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA'; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KINOSHITA,T.NAKANIWA,T.TADA . 334 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 2 0.6 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 . 36 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 3 1 0 0 0 0 3 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 2 0 1 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 . 0 1 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 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 X M 0 0 210 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.2 -30.4 -20.7 -7.4 2 2 X P + 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.102 360.0 43.4 -26.2 110.3 -28.7 -23.7 -9.2 3 3 X G S S- 0 0 45 261,-0.0 0, 0.0 0, 0.0 0, 0.0 0.781 87.8-158.7 108.1 54.6 -26.0 -21.8 -11.0 4 4 X P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.050 4.1-142.5 -56.3 167.0 -24.7 -19.3 -8.3 5 5 X A - 0 0 53 1,-0.3 258,-0.1 259,-0.0 257,-0.1 -0.957 5.6-142.5-142.0 119.3 -22.8 -16.1 -9.1 6 6 X A - 0 0 94 -2,-0.4 2,-0.3 255,-0.1 -1,-0.3 0.901 34.3-146.5 -39.6 -92.0 -19.9 -14.6 -7.1 7 7 X G - 0 0 26 2,-0.0 2,-0.3 202,-0.0 -1,-0.1 -0.831 7.5-101.5 141.1-176.8 -20.5 -10.9 -7.3 8 8 X S - 0 0 15 -2,-0.3 2,-0.3 201,-0.1 202,-0.0 -0.819 19.2-161.4-134.5 175.1 -18.3 -7.9 -7.4 9 9 X R - 0 0 131 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.970 42.9 -83.3-154.1 151.1 -16.9 -5.1 -5.1 10 10 X A - 0 0 4 -2,-0.3 4,-0.3 4,-0.2 301,-0.1 -0.389 33.7-154.6 -58.5 135.0 -15.4 -1.8 -5.7 11 11 X R S S+ 0 0 111 2,-0.1 -1,-0.2 300,-0.1 304,-0.1 0.716 87.1 30.2 -86.0 -18.7 -11.8 -2.4 -6.4 12 12 X V S S+ 0 0 56 1,-0.0 3,-0.2 2,-0.0 -2,-0.1 0.902 135.1 13.1-103.2 -60.9 -10.8 1.1 -5.3 13 13 X Y S > S+ 0 0 61 1,-0.1 3,-1.7 2,-0.1 4,-0.3 -0.079 75.8 149.7-111.8 31.4 -13.1 2.6 -2.6 14 14 X A T 3 S+ 0 0 18 -4,-0.3 -4,-0.2 1,-0.3 -1,-0.1 0.587 77.8 23.0 -39.3 -22.6 -14.8 -0.6 -1.7 15 15 X E T 3> S+ 0 0 108 -3,-0.2 4,-1.3 169,-0.1 3,-0.5 0.439 84.6 115.9-133.1 6.2 -15.4 0.4 1.9 16 16 X V T <4 S+ 0 0 31 -3,-1.7 -2,-0.1 1,-0.2 168,-0.1 0.852 75.4 48.6 -40.1 -66.8 -15.3 4.2 2.0 17 17 X N T 4 S+ 0 0 1 166,-0.4 3,-0.5 -4,-0.3 -1,-0.2 0.871 106.1 60.9 -47.2 -44.2 -18.8 5.1 3.1 18 18 X S T 4 S+ 0 0 62 -3,-0.5 2,-5.7 1,-0.3 -1,-0.2 0.963 96.5 56.5 -47.3 -67.5 -18.7 2.5 5.9 19 19 X L S < S+ 0 0 136 -4,-1.3 2,-0.3 -3,-0.0 -1,-0.3 -0.087 105.4 81.8 -62.1 48.7 -15.8 4.1 7.7 20 20 X R S S- 0 0 82 -2,-5.7 5,-0.1 -3,-0.5 -3,-0.0 -0.990 93.7 -83.1-154.0 155.9 -18.0 7.2 7.8 21 21 X S > - 0 0 67 -2,-0.3 4,-0.8 1,-0.1 3,-0.3 -0.267 34.5-130.9 -57.3 143.8 -20.9 8.7 9.8 22 22 X R H > S+ 0 0 152 1,-0.2 4,-3.1 2,-0.2 -1,-0.1 0.893 104.3 73.2 -65.1 -37.9 -24.3 7.4 8.7 23 23 X E H 4 S+ 0 0 146 1,-0.2 -1,-0.2 2,-0.2 6,-0.2 0.904 94.5 59.0 -35.3 -55.4 -25.5 11.0 8.5 24 24 X Y H 4 S+ 0 0 31 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.7 22.7 -40.3 -73.5 -23.4 11.1 5.4 25 25 X W H < S+ 0 0 62 -4,-0.8 2,-1.7 -8,-0.2 -1,-0.2 0.617 100.8 92.7 -79.0 -12.2 -24.9 8.3 3.2 26 26 X D < + 0 0 36 -4,-3.1 3,-0.3 1,-0.2 -1,-0.1 -0.615 42.2 151.7 -85.6 83.5 -28.3 8.3 4.9 27 27 X Y > + 0 0 43 -2,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.506 61.9 73.3 -86.9 -13.7 -29.9 10.8 2.5 28 28 X E T 3 S+ 0 0 125 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.638 103.1 45.9 -74.8 -11.9 -33.3 9.3 3.1 29 29 X A T 3 S+ 0 0 65 -3,-0.3 2,-0.9 -6,-0.2 -1,-0.3 0.154 88.5 112.1-111.7 14.0 -32.8 11.1 6.3 30 30 X H < + 0 0 30 -3,-1.3 54,-0.2 -6,-0.0 53,-0.1 -0.779 39.8 179.3 -96.9 99.4 -31.6 14.3 4.7 31 31 X V - 0 0 124 -2,-0.9 -3,-0.0 53,-0.0 2,-0.0 -0.779 15.0-165.9 -99.8 93.8 -34.0 17.2 5.1 32 32 X P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 52,-0.0 -0.316 20.3-110.3 -76.5 161.5 -32.4 20.2 3.4 33 33 X S - 0 0 92 -2,-0.0 2,-0.3 1,-0.0 68,-0.1 -0.460 33.6-147.1 -86.2 162.8 -33.5 23.8 3.8 34 34 X W - 0 0 87 -2,-0.1 68,-0.3 68,-0.1 2,-0.3 -0.902 8.2-152.2-133.2 162.1 -35.1 25.7 1.0 35 35 X G - 0 0 17 -2,-0.3 68,-2.0 76,-0.2 76,-0.1 -0.805 28.8-100.0-126.0 169.3 -35.4 29.2 -0.5 36 36 X N - 0 0 82 -2,-0.3 68,-0.3 66,-0.2 -1,-0.1 -0.133 19.0-134.9 -77.3-178.9 -38.1 31.0 -2.4 37 37 X Q S > S+ 0 0 35 66,-0.2 3,-6.2 2,-0.1 -1,-0.1 0.816 90.3 88.0 -97.3 -57.1 -37.8 31.5 -6.2 38 38 X D T 3 S+ 0 0 91 1,-0.4 22,-0.1 -3,-0.1 -1,-0.1 0.494 82.2 60.4 -8.7 -39.3 -38.8 35.1 -6.0 39 39 X D T 3 S+ 0 0 67 21,-0.1 21,-1.4 20,-0.1 22,-0.8 0.639 103.4 67.2 -73.7 -14.0 -35.1 35.9 -5.5 40 40 X Y E < -A 59 0A 25 -3,-6.2 2,-0.7 19,-0.3 19,-0.2 -0.923 63.1-162.0-118.3 130.9 -34.6 34.3 -8.9 41 41 X Q E -A 58 0A 118 17,-2.1 17,-1.6 -2,-0.4 2,-1.2 -0.917 20.1-142.7-108.3 107.5 -35.7 35.4 -12.3 42 42 X L E +A 57 0A 50 -2,-0.7 15,-0.3 15,-0.2 3,-0.2 -0.596 24.7 179.7 -74.2 96.1 -35.6 32.5 -14.8 43 43 X V E + 0 0 79 -2,-1.2 2,-0.4 13,-0.5 14,-0.2 0.990 57.0 0.8 -61.4 -73.7 -34.4 34.2 -18.0 44 44 X R E -A 56 0A 130 12,-1.1 12,-2.8 0, 0.0 2,-0.5 -0.981 68.4-121.6-133.7 128.0 -34.1 31.5 -20.7 45 45 X K E -A 55 0A 99 -2,-0.4 10,-0.4 10,-0.3 3,-0.1 -0.473 24.6-177.7 -64.6 111.6 -34.8 27.8 -20.6 46 46 X L E - 0 0 64 8,-1.3 9,-0.2 -2,-0.5 2,-0.2 0.941 57.7 -60.0 -76.5 -50.1 -31.7 25.9 -21.5 47 47 X G E -A 54 0A 29 7,-2.7 7,-5.1 2,-0.0 2,-0.2 -0.761 44.2-152.0-163.9-150.0 -33.3 22.5 -21.4 48 48 X R E -A 53 0A 159 5,-0.4 5,-0.3 -2,-0.2 2,-0.1 -0.802 7.8-148.2 162.8 157.2 -35.1 19.8 -19.4 49 49 X G - 0 0 34 3,-4.2 5,-0.0 -2,-0.2 -2,-0.0 -0.242 53.8 -57.2-122.3-148.6 -35.6 16.0 -19.2 50 50 X K S S+ 0 0 196 1,-0.1 3,-0.1 -2,-0.1 21,-0.0 0.812 136.0 13.2 -68.9 -30.2 -38.2 13.5 -18.2 51 51 X Y S S+ 0 0 75 1,-0.2 2,-0.4 20,-0.1 21,-0.4 0.620 122.4 57.5-121.1 -17.9 -38.4 15.0 -14.7 52 52 X S - 0 0 18 19,-0.2 -3,-4.2 17,-0.0 2,-0.3 -0.949 54.8-158.3-125.5 140.2 -36.6 18.4 -14.8 53 53 X E E -AB 48 70A 40 17,-1.3 17,-1.4 -2,-0.4 2,-0.4 -0.751 22.2-149.0-101.7 151.6 -37.1 21.5 -16.9 54 54 X V E +AB 47 69A 26 -7,-5.1 -7,-2.7 -2,-0.3 -8,-1.3 -0.897 18.0 173.7-139.2 118.4 -34.0 23.7 -17.1 55 55 X F E -AB 45 68A 38 13,-1.8 13,-1.7 -2,-0.4 2,-0.5 -0.654 32.9-118.5-114.4 168.9 -33.6 27.5 -17.4 56 56 X E E +AB 44 67A 25 -12,-2.8 -12,-1.1 -2,-0.2 -13,-0.5 -0.869 47.7 164.5-101.7 133.2 -31.0 30.3 -17.4 57 57 X A E -AB 42 66A 1 9,-3.1 9,-4.5 -2,-0.5 2,-0.3 -0.867 30.7-139.5-143.9 177.9 -31.6 32.7 -14.6 58 58 X I E -AB 41 65A 13 -17,-1.6 -17,-2.1 7,-0.3 2,-1.0 -0.989 32.3-108.2-146.7 133.2 -30.2 35.5 -12.5 59 59 X N E > > -AB 40 64A 20 5,-3.2 3,-1.9 -2,-0.3 5,-0.9 -0.465 26.2-152.0 -65.5 99.6 -30.5 36.2 -8.8 60 60 X I G > 5S+ 0 0 88 -21,-1.4 3,-0.9 -2,-1.0 -1,-0.2 0.821 91.0 62.2 -38.1 -46.5 -32.7 39.2 -8.6 61 61 X T G 3 5S+ 0 0 94 -22,-0.8 -1,-0.3 1,-0.2 -21,-0.1 0.852 125.4 10.9 -52.9 -40.3 -31.2 40.3 -5.3 62 62 X N G < 5S- 0 0 71 -3,-1.9 -1,-0.2 -23,-0.2 -3,-0.2 -0.298 95.3-114.1-139.6 53.6 -27.7 40.8 -6.9 63 63 X N T < 5 + 0 0 133 -3,-0.9 2,-0.6 -5,-0.2 -3,-0.2 0.625 61.5 156.9 18.6 40.5 -28.0 40.6 -10.7 64 64 X E E < -B 59 0A 124 -5,-0.9 -5,-3.2 1,-0.0 -1,-0.1 -0.818 42.5-129.0 -98.1 116.1 -25.9 37.4 -10.6 65 65 X R E +B 58 0A 116 -2,-0.6 51,-0.3 -7,-0.3 -7,-0.3 -0.361 42.9 157.9 -58.8 130.6 -26.4 35.0 -13.6 66 66 X V E -B 57 0A 12 -9,-4.5 -9,-3.1 49,-0.1 2,-0.4 -0.945 37.9-115.1-151.7 168.7 -27.2 31.5 -12.4 67 67 X V E -BC 56 114A 16 47,-2.4 47,-2.1 -2,-0.3 2,-0.4 -0.923 28.1-171.7-114.2 139.2 -28.7 28.2 -13.5 68 68 X V E -BC 55 113A 1 -13,-1.7 -13,-1.8 -2,-0.4 2,-0.3 -0.975 6.3-174.4-132.9 145.6 -31.9 26.7 -12.0 69 69 X K E -BC 54 112A 16 43,-2.1 43,-2.3 -2,-0.4 2,-0.3 -0.948 3.8-171.8-135.1 152.5 -33.7 23.4 -12.4 70 70 X I E -BC 53 111A 49 -17,-1.4 -17,-1.3 -2,-0.3 2,-0.2 -0.927 3.9-177.3-141.3 163.2 -37.0 22.1 -11.1 71 71 X L - 0 0 15 39,-0.8 -19,-0.2 -2,-0.3 -20,-0.1 -0.733 32.4-107.6-172.1 117.6 -38.8 18.8 -10.9 72 72 X K - 0 0 106 -21,-0.4 2,-3.1 -2,-0.2 3,-0.3 0.084 53.5 -88.6 -37.3 152.6 -42.2 17.7 -9.6 73 73 X P > + 0 0 87 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 -0.077 68.7 154.2 -64.0 41.4 -42.1 15.5 -6.5 74 74 X V T 3 S- 0 0 87 -2,-3.1 2,-0.3 1,-0.3 -2,-0.1 0.892 82.0 -9.3 -35.0 -66.7 -41.7 12.4 -8.6 75 75 X K T >> - 0 0 81 -3,-0.3 4,-1.4 1,-0.1 3,-0.8 -0.772 61.4-156.0-141.0 89.2 -40.0 10.6 -5.8 76 76 X K H <> S+ 0 0 150 -3,-0.7 4,-3.8 -2,-0.3 5,-0.2 0.735 97.6 68.1 -37.1 -18.7 -39.0 12.8 -2.9 77 77 X K H 3> S+ 0 0 90 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.997 100.9 39.4 -66.1 -65.4 -36.5 10.0 -2.5 78 78 X K H <> S+ 0 0 12 -3,-0.8 4,-4.0 2,-0.2 5,-0.3 0.964 122.6 45.3 -46.3 -60.2 -34.6 10.7 -5.6 79 79 X I H X S+ 0 0 17 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.959 111.1 51.6 -47.6 -67.1 -35.0 14.4 -4.8 80 80 X K H >X S+ 0 0 33 -4,-3.8 4,-1.4 1,-0.2 3,-1.1 0.884 119.3 37.6 -32.1 -73.5 -34.1 14.0 -1.2 81 81 X R H 3X S+ 0 0 16 -4,-2.6 4,-2.5 1,-0.3 5,-0.3 0.878 105.1 62.9 -48.3 -57.7 -31.0 12.1 -2.2 82 82 X E H 3X S+ 0 0 7 -4,-4.0 4,-1.9 -5,-0.3 -1,-0.3 0.852 109.4 48.6 -39.8 -37.9 -29.9 14.1 -5.3 83 83 X V H X S+ 0 0 3 -4,-1.9 4,-3.0 -5,-0.3 3,-1.8 0.849 111.2 49.9 -55.6 -41.0 -24.5 17.3 -4.2 87 87 X E H 3< S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.971 109.5 56.2 -61.3 -44.5 -23.9 19.1 -0.9 88 88 X N T 3< S+ 0 0 32 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.403 113.8 39.6 -64.0 1.1 -21.6 16.1 -0.4 89 89 X L T <4 S+ 0 0 0 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.707 80.8 119.1-117.9 -42.3 -19.8 17.1 -3.5 90 90 X R S < S+ 0 0 94 -4,-3.0 3,-0.1 1,-0.2 7,-0.1 0.212 74.2 37.6 -25.7 137.4 -19.6 20.9 -3.5 91 91 X G S S+ 0 0 62 1,-0.3 2,-0.5 4,-0.3 -1,-0.2 0.724 89.6 134.6 82.3 21.0 -16.1 22.1 -3.4 92 92 X G > - 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0 0 115 -6,-0.3 3,-0.4 -5,-0.0 -1,-0.3 -0.824 48.5-138.3 -98.8 130.4 -18.0 8.5 -33.8 231 231 X E S S+ 0 0 71 -2,-0.5 2,-0.1 1,-0.5 -9,-0.0 -0.916 97.7 6.8-132.4 105.8 -21.0 9.9 -31.8 232 232 X P S > S- 0 0 11 0, 0.0 3,-0.7 0, 0.0 -1,-0.5 0.674 82.9-153.0 -86.0 163.9 -21.9 7.8 -30.2 233 233 X F T 3 S+ 0 0 7 -3,-0.4 2,-0.6 1,-0.3 -2,-0.1 0.882 100.1 38.1 -61.9 -38.9 -19.1 5.2 -30.8 234 234 X F T 3 S- 0 0 3 -37,-0.4 2,-2.2 -4,-0.1 -1,-0.3 -0.684 81.5-176.6-111.7 69.5 -21.6 2.4 -30.0 235 235 X H < - 0 0 97 -3,-0.7 -38,-0.1 -2,-0.6 -4,-0.0 -0.478 20.7-172.7 -71.3 79.3 -24.6 4.0 -31.6 236 236 X G - 0 0 0 -2,-2.2 3,-0.1 -40,-0.4 -40,-0.0 -0.215 26.3-163.1 -81.2 165.8 -27.0 1.3 -30.6 237 237 X Q S S+ 0 0 111 1,-0.3 5,-0.2 -2,-0.0 -1,-0.1 0.395 72.0 32.5-107.7-117.2 -30.6 0.4 -31.4 238 238 X D S > S- 0 0 105 1,-0.2 4,-2.1 2,-0.1 3,-0.3 0.001 92.3-107.7 -37.4 151.0 -32.6 -2.0 -29.2 239 239 X N T 4 S+ 0 0 77 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.728 129.9 52.7 -59.0 -11.3 -31.4 -1.6 -25.7 240 240 X Y T >> S+ 0 0 85 2,-0.2 3,-2.0 1,-0.1 4,-0.9 0.776 95.9 58.5 -92.2 -35.4 -30.0 -5.0 -27.0 241 241 X D H >> S+ 0 0 27 -3,-0.3 4,-3.2 1,-0.3 3,-1.2 0.913 95.1 70.9 -61.7 -34.3 -28.4 -4.0 -30.2 242 242 X Q H 3< S+ 0 0 0 -4,-2.1 4,-0.3 1,-0.3 -1,-0.3 0.655 95.6 52.8 -54.1 -15.0 -26.3 -1.7 -27.8 243 243 X L H <> S+ 0 0 3 -3,-2.0 4,-2.8 -5,-0.2 -1,-0.3 0.797 112.5 42.0 -91.2 -31.2 -24.7 -5.0 -26.7 244 244 X V H >>S+ 0 0 0 -5,-0.3 3,-5.8 -4,-0.3 4,-1.4 0.944 106.6 64.8 -82.4 -59.0 -20.0 -3.4 -28.6 247 247 X A H 3X5S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.3 -2,-0.2 0.748 97.7 59.2 -33.8 -37.4 -19.7 -7.2 -29.1 248 248 X K H 3<5S+ 0 0 81 -4,-2.6 -1,-0.3 3,-0.2 30,-0.2 0.699 114.4 36.5 -70.9 -18.8 -18.3 -6.4 -32.6 249 249 X V H <45S+ 0 0 5 -3,-5.8 31,-2.0 -5,-0.3 -2,-0.2 0.883 126.1 31.5 -98.8 -56.4 -15.5 -4.4 -30.9 250 250 X L H <5S- 0 0 14 -4,-1.4 29,-0.4 29,-0.2 -3,-0.2 0.763 119.0-103.8 -74.3 -23.8 -14.6 -6.2 -27.7 251 251 X G X< - 0 0 0 -4,-1.5 4,-1.1 -5,-0.5 27,-0.2 0.151 7.1-113.7 110.0 137.1 -15.4 -9.6 -29.2 252 252 X T H > S+ 0 0 9 25,-2.1 4,-1.7 2,-0.2 26,-0.1 0.926 118.3 39.2 -66.4 -45.3 -18.2 -12.2 -29.1 253 253 X E H >> S+ 0 0 122 24,-0.8 4,-1.4 2,-0.2 3,-0.6 0.998 111.2 55.1 -63.6 -71.3 -16.0 -14.8 -27.4 254 254 X E H 3> S+ 0 0 69 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.750 107.3 59.0 -31.1 -32.4 -14.2 -12.4 -25.2 255 255 X L H >X S+ 0 0 4 -4,-1.1 4,-1.6 2,-0.2 3,-1.1 0.988 101.9 46.9 -66.3 -62.3 -17.8 -11.6 -24.2 256 256 X Y H S+ 0 0 9 -4,-1.6 5,-2.2 1,-0.2 -1,-0.3 0.594 114.7 51.1 -63.3 -6.9 -20.4 -13.7 -18.4 260 260 X K H ><5S+ 0 0 153 -4,-1.6 3,-2.7 -3,-0.5 -2,-0.2 0.871 101.1 60.7 -90.3 -50.5 -18.6 -16.9 -17.4 261 261 X K H 3<5S+ 0 0 118 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.777 120.6 26.8 -43.8 -33.6 -16.3 -14.9 -15.1 262 262 X Y T 3<5S- 0 0 8 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.010 112.4-106.9-124.6 32.6 -19.4 -13.9 -13.2 263 263 X H T < 5 + 0 0 104 -3,-2.7 2,-0.4 1,-0.2 -3,-0.2 0.917 58.7 163.0 41.7 90.0 -21.9 -16.7 -13.8 264 264 X I < - 0 0 24 -5,-2.2 2,-0.8 -8,-0.1 -1,-0.2 -0.923 33.9-150.5-146.2 118.1 -24.3 -15.0 -16.2 265 265 X D - 0 0 156 -2,-0.4 2,-0.5 -60,-0.1 -5,-0.0 -0.769 27.6-128.5 -88.1 111.5 -26.8 -16.5 -18.4 266 266 X L - 0 0 32 -2,-0.8 5,-0.1 1,-0.1 -61,-0.1 -0.445 29.5-111.5 -63.8 114.6 -27.2 -14.3 -21.4 267 267 X D - 0 0 78 -2,-0.5 3,-0.2 3,-0.1 4,-0.2 0.014 41.4 -98.6 -39.0 150.7 -30.9 -13.6 -21.9 268 268 X P S S+ 0 0 84 0, 0.0 2,-1.8 0, 0.0 0, 0.0 0.257 103.7 59.6 -57.6-157.7 -32.2 -15.4 -25.0 269 269 X H S >> S+ 0 0 77 1,-0.2 3,-2.0 4,-0.0 4,-1.2 -0.546 83.8 78.2 78.3 -89.0 -32.5 -13.1 -28.1 270 270 X F H 3> S+ 0 0 11 -2,-1.8 4,-2.2 1,-0.3 5,-0.4 0.620 83.1 74.7 -27.6 -20.6 -28.8 -12.1 -28.3 271 271 X N H 34 S+ 0 0 86 2,-0.2 4,-0.3 -4,-0.2 -1,-0.3 0.998 103.9 31.6 -61.8 -64.9 -28.5 -15.5 -29.8 272 272 X D H <4 S+ 0 0 153 -3,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.924 128.7 47.2 -58.4 -42.0 -30.1 -14.4 -33.1 273 273 X I H < S+ 0 0 49 -4,-1.2 -2,-0.2 2,-0.1 -3,-0.2 0.993 107.4 46.4 -60.8 -76.8 -28.5 -11.0 -32.5 274 274 X L < + 0 0 4 -4,-2.2 2,-0.2 1,-0.1 -3,-0.2 0.883 69.1 171.9 -34.0 -91.1 -24.9 -11.4 -31.5 275 275 X G - 0 0 22 -5,-0.4 2,-0.6 -4,-0.3 -1,-0.1 -0.681 50.7 -49.2 103.5-159.4 -23.1 -13.8 -33.8 276 276 X Q + 0 0 167 -2,-0.2 2,-0.3 -24,-0.1 -1,-0.1 -0.838 66.7 156.2-123.2 95.5 -19.4 -14.6 -33.9 277 277 X H - 0 0 48 -2,-0.6 -25,-2.1 -30,-0.1 -24,-0.8 -0.819 29.3-140.2-112.7 153.0 -17.3 -11.4 -34.1 278 278 X S - 0 0 79 -2,-0.3 -27,-0.2 -27,-0.2 -2,-0.0 -0.952 36.5 -80.7-121.5 138.5 -13.7 -11.2 -33.0 279 279 X R - 0 0 95 -2,-0.4 2,-0.5 -29,-0.4 -29,-0.2 0.098 48.9-137.2 -31.0 131.5 -11.9 -8.3 -31.1 280 280 X K - 0 0 78 -31,-2.0 -1,-0.1 -32,-0.1 2,-0.0 -0.862 15.8-113.8-104.9 129.2 -11.0 -5.6 -33.5 281 281 X R > - 0 0 138 -2,-0.5 3,-3.5 1,-0.2 -1,-0.0 -0.373 25.5-130.3 -57.2 128.8 -7.7 -3.8 -33.3 282 282 X W G > S+ 0 0 7 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.638 107.9 72.8 -58.2 -12.5 -8.6 -0.3 -32.4 283 283 X E G > S+ 0 0 84 1,-0.3 3,-2.6 2,-0.2 -1,-0.3 0.757 75.3 82.6 -72.3 -23.0 -6.4 0.7 -35.3 284 284 X N G < S+ 0 0 95 -3,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.188 94.4 45.5 -67.2 24.3 -9.3 -0.6 -37.2 285 285 X F G < S+ 0 0 43 -3,-0.6 2,-0.9 -2,-0.3 -1,-0.3 0.286 84.8 101.7-145.3 2.1 -10.8 2.8 -36.6 286 286 X I < + 0 0 55 -3,-2.6 2,-0.2 3,-0.1 -1,-0.1 -0.774 42.9 145.5-103.6 98.7 -7.9 5.2 -37.4 287 287 X H >> - 0 0 99 -2,-0.9 3,-3.3 -59,-0.2 4,-2.1 -0.671 67.5 -82.1-118.6 172.8 -8.3 6.8 -40.8 288 288 X S G >4 S+ 0 0 71 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.919 122.7 70.9 -37.8 -59.2 -7.4 10.2 -42.2 289 289 X E G 34 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.658 123.9 7.2 -31.7 -29.8 -10.6 11.5 -40.8 290 290 X N G X> S+ 0 0 2 -3,-3.3 3,-2.5 2,-0.0 4,-1.4 0.336 89.2 123.5-139.8 2.0 -9.1 11.2 -37.3 291 291 X R T << S+ 0 0 177 -4,-2.1 -3,-0.1 -3,-1.0 -2,-0.1 0.772 76.5 51.1 -33.9 -47.9 -5.4 10.3 -37.9 292 292 X H T 34 S+ 0 0 112 -4,-0.5 -1,-0.3 1,-0.2 -161,-0.2 0.695 106.9 53.4 -71.6 -20.7 -4.1 13.3 -35.9 293 293 X L T <4 S+ 0 0 2 -3,-2.5 -2,-0.2 -66,-0.2 -1,-0.2 0.885 99.5 67.4 -81.6 -40.4 -6.3 12.6 -32.8 294 294 X V < + 0 0 13 -4,-1.4 4,-0.1 -67,-0.2 3,-0.1 0.438 52.3 152.1 -59.2-157.1 -5.3 9.0 -32.2 295 295 X S > - 0 0 28 1,-0.1 4,-1.9 2,-0.1 5,-0.2 -0.555 63.7 -80.1 138.7 160.7 -1.8 7.7 -31.1 296 296 X P H > S+ 0 0 99 0, 0.0 4,-3.3 0, 0.0 5,-0.1 0.866 124.3 61.5 -57.4 -36.6 -0.6 4.6 -29.2 297 297 X E H >> S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 3,-1.0 0.972 106.9 39.3 -49.9 -78.9 -1.5 6.3 -25.9 298 298 X A H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.800 117.5 51.5 -42.3 -39.4 -5.2 6.8 -26.5 299 299 X L H 3X S+ 0 0 11 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.913 115.5 43.3 -67.3 -39.4 -5.3 3.3 -28.1 300 300 X D H XX S+ 0 0 83 -4,-3.3 4,-1.9 -3,-1.0 3,-0.8 0.999 118.9 40.2 -65.3 -71.6 -3.5 2.0 -24.9 301 301 X L H 3X S+ 0 0 2 -4,-2.3 4,-0.6 1,-0.3 -3,-0.2 0.880 115.7 56.0 -44.1 -44.4 -5.6 3.9 -22.4 302 302 X L H >X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.5 3,-0.9 0.887 104.2 50.4 -59.1 -42.7 -8.6 3.2 -24.5 303 303 X D H << S+ 0 0 54 -4,-2.1 -1,-0.2 -3,-0.8 -2,-0.2 0.891 109.4 51.0 -65.0 -38.5 -8.1 -0.6 -24.5 304 304 X K H 3< S+ 0 0 73 -4,-1.9 10,-1.5 -5,-0.1 -1,-0.3 0.562 116.7 42.7 -74.9 -9.1 -7.8 -0.7 -20.7 305 305 X L H << S+ 0 0 3 -3,-0.9 2,-2.4 -4,-0.6 -2,-0.2 0.844 105.0 56.5 -99.1 -68.2 -11.0 1.3 -20.3 306 306 X L S < S+ 0 0 2 -4,-2.2 2,-0.3 -86,-0.1 -1,-0.2 -0.406 82.2 134.0 -69.3 80.9 -13.4 -0.2 -22.8 307 307 X R - 0 0 60 -2,-2.4 6,-0.1 -3,-0.2 -3,-0.1 -0.912 59.1-132.5-128.6 155.0 -13.2 -3.7 -21.4 308 308 X Y S S+ 0 0 13 -2,-0.3 2,-0.5 -58,-0.1 -106,-0.2 0.989 88.2 82.2 -71.3 -61.0 -15.8 -6.3 -20.6 309 309 X D S S- 0 0 20 1,-0.2 -2,-0.1 3,-0.1 -1,-0.1 -0.239 72.0-155.5 -49.3 99.3 -14.6 -7.3 -17.1 310 310 X H S S+ 0 0 1 -2,-0.5 -1,-0.2 1,-0.2 -99,-0.1 0.473 91.5 49.6 -59.2 -0.2 -16.2 -4.4 -15.3 311 311 X Q S S+ 0 0 80 1,-0.1 2,-1.1 -301,-0.1 -1,-0.2 0.802 95.4 63.3-105.4 -48.2 -13.5 -5.0 -12.8 312 312 X Q S S+ 0 0 73 -3,-0.1 2,-0.2 -301,-0.0 -2,-0.1 0.087 81.7 115.9 -69.0 29.7 -10.3 -5.2 -14.8 313 313 X R S S- 0 0 5 -2,-1.1 -8,-0.2 1,-0.1 -9,-0.1 -0.637 77.8 -92.1 -99.4 160.0 -10.7 -1.6 -15.9 314 314 X L - 0 0 19 -10,-1.5 -1,-0.1 -2,-0.2 2,-0.1 -0.320 47.8-116.4 -64.0 154.9 -8.4 1.3 -15.0 315 315 X T > - 0 0 12 1,-0.1 4,-1.5 -3,-0.1 5,-0.1 -0.268 26.8-100.2 -85.0 176.5 -9.5 3.1 -11.9 316 316 X A H > S+ 0 0 1 2,-0.2 4,-0.8 1,-0.1 -170,-0.3 0.940 124.9 33.0 -63.5 -43.4 -10.6 6.7 -11.8 317 317 X K H >> S+ 0 0 95 2,-0.2 4,-1.6 1,-0.2 3,-1.4 0.964 109.4 61.1 -77.4 -55.7 -7.1 7.7 -10.5 318 318 X E H >4 S+ 0 0 73 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.882 100.4 62.2 -37.1 -44.8 -4.9 5.1 -12.3 319 319 X A H >< S+ 0 0 2 -4,-1.5 3,-1.6 1,-0.3 -1,-0.3 0.916 103.2 46.7 -45.9 -54.4 -6.3 6.8 -15.4 320 320 X M H << S+ 0 0 39 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.787 108.4 53.6 -62.0 -31.5 -4.7 10.1 -14.4 321 321 X E T << S+ 0 0 126 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.418 91.8 110.6 -85.5 5.7 -1.4 8.5 -13.6 322 322 X H S X S- 0 0 12 -3,-1.6 3,-1.0 -4,-0.4 4,-0.1 -0.469 78.0-118.8 -80.5 151.0 -1.6 7.1 -17.1 323 323 X P G > S+ 0 0 58 0, 0.0 3,-5.2 0, 0.0 -1,-0.1 0.913 102.8 71.0 -51.7 -59.7 0.8 8.2 -19.9 324 324 X Y G 3 S+ 0 0 0 1,-0.3 -26,-0.1 2,-0.2 -189,-0.1 0.746 103.4 47.6 -35.0 -31.8 -1.8 9.6 -22.4 325 325 X F G X S+ 0 0 3 -3,-1.0 3,-1.9 -6,-0.3 -1,-0.3 0.490 80.1 97.7 -94.4 -0.4 -2.2 12.4 -20.0 326 326 X Y T < + 0 0 130 -3,-5.2 -1,-0.2 1,-0.3 -2,-0.2 0.893 64.3 79.9 -53.1 -40.6 1.4 13.1 -19.4 327 327 X P T 3 S+ 0 0 65 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.553 86.8 73.6 -47.1 0.7 1.1 15.9 -22.0 328 328 X V < - 0 0 21 -3,-1.9 2,-0.1 1,-0.1 -3,-0.0 -0.899 61.9-167.9-125.0 104.5 -0.4 17.7 -19.0 329 329 X V >> - 0 0 92 -2,-0.5 4,-0.9 1,-0.0 3,-0.5 0.053 47.7-128.1 -74.5 29.9 2.0 18.9 -16.2 330 330 X K T 34 - 0 0 58 -5,-0.3 3,-0.4 1,-0.2 -2,-0.1 0.721 28.7 -96.6 16.0 88.2 -1.4 19.3 -14.5 331 331 X E T 34 S+ 0 0 166 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.087 111.3 78.3 -26.9 98.3 -1.1 22.9 -13.4 332 332 X Q T <4 + 0 0 140 -3,-0.5 -1,-0.2 0, 0.0 -2,-0.1 0.170 60.5 176.1 175.3 -17.0 0.0 22.1 -9.8 333 333 X S < 0 0 83 -4,-0.9 -3,-0.0 -3,-0.4 -2,-0.0 0.375 360.0 360.0 -11.5 118.4 3.7 21.2 -10.2 334 334 X Q 0 0 229 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.739 360.0 360.0-139.2 360.0 5.2 20.6 -6.8