==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 03-DEC-09 3KXH . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR E.PAPINUTTO,C.FRANCHIN,R.BATTISTUTTA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 65.4 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 . 39 11.9 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 . 1 0.3 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 0 2 0 1 0 1 0 1 0 0 0 1 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 . 0 1 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 7 A S 0 0 40 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.7 17.7 -11.6 -8.0 2 8 A K - 0 0 119 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.964 360.0 -86.6-134.5 160.1 16.9 -7.9 -8.1 3 9 A A - 0 0 7 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.246 27.2-144.6 -54.4 139.9 14.8 -5.5 -6.0 4 10 A R S S+ 0 0 158 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.654 84.6 34.3 -83.4 -15.2 11.1 -5.3 -7.1 5 11 A V S S+ 0 0 62 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.968 122.2 8.7-133.4 157.9 11.0 -1.6 -6.3 6 12 A Y S > S+ 0 0 67 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.753 76.7 145.1 46.9 27.3 13.4 1.4 -6.5 7 13 A A T 3 + 0 0 15 1,-0.2 3,-0.3 -4,-0.2 4,-0.3 0.887 69.0 37.4 -59.4 -36.9 15.8 -1.0 -8.4 8 14 A D T 3> S+ 0 0 109 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 0.173 77.7 111.4-110.0 19.0 17.2 1.8 -10.6 9 15 A V T <4 S+ 0 0 27 -3,-0.9 4,-0.4 2,-0.2 3,-0.2 0.933 89.2 35.4 -58.6 -41.3 17.4 4.8 -8.3 10 16 A N T >4 S+ 0 0 0 166,-0.4 3,-1.6 -3,-0.3 -1,-0.2 0.953 106.7 71.3 -77.8 -39.6 21.2 4.9 -8.3 11 17 A V T 34 S+ 0 0 79 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.702 113.7 22.9 -48.9 -34.8 21.5 3.8 -11.9 12 18 A L T 3< S+ 0 0 158 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.231 95.8 92.7-138.9 32.1 20.3 7.1 -13.1 13 19 A R S < S- 0 0 85 -3,-1.6 5,-0.1 -4,-0.4 2,-0.0 -0.631 95.9 -74.6 -86.3 166.4 20.8 9.8 -10.7 14 20 A P > - 0 0 84 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.319 43.4-113.7 -67.3 149.2 24.0 11.6 -11.2 15 21 A K G >> S+ 0 0 105 1,-0.3 4,-1.8 2,-0.2 3,-0.9 0.741 110.1 68.5 -54.6 -31.2 27.2 9.8 -10.1 16 22 A E G 34 S+ 0 0 139 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.776 89.4 65.1 -64.9 -29.6 27.9 12.3 -7.3 17 23 A Y G <4 S+ 0 0 29 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.841 118.9 19.9 -59.0 -41.2 24.9 11.1 -5.3 18 24 A W T <4 S+ 0 0 73 -3,-0.9 2,-1.7 -4,-0.5 3,-0.2 0.478 96.8 93.6-113.5 -7.8 26.3 7.5 -4.8 19 25 A D >< + 0 0 38 -4,-1.8 3,-1.5 1,-0.2 4,-0.2 -0.550 47.1 168.0 -85.3 73.2 30.1 7.9 -5.3 20 26 A Y G > + 0 0 27 -2,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.781 64.9 70.6 -66.2 -27.9 30.8 8.4 -1.7 21 27 A E G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.809 94.5 57.7 -58.3 -26.9 34.6 7.9 -2.1 22 28 A A G < S+ 0 0 71 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.484 80.6 119.9 -84.4 2.7 34.6 11.3 -3.9 23 29 A L < - 0 0 21 -3,-1.8 2,-0.6 -4,-0.2 54,-0.0 -0.392 50.3-157.4 -64.1 137.3 33.1 13.1 -0.9 24 30 A T - 0 0 101 -2,-0.1 2,-0.2 49,-0.0 -2,-0.1 -0.959 20.5-130.6-113.5 116.0 35.2 15.9 0.6 25 31 A V - 0 0 26 -2,-0.6 2,-0.9 1,-0.1 48,-0.0 -0.404 6.5-146.5 -65.0 130.7 34.2 16.6 4.3 26 32 A Q - 0 0 148 -2,-0.2 68,-0.3 69,-0.0 2,-0.2 -0.865 25.8-144.8 -95.7 103.6 33.5 20.2 5.3 27 33 A W - 0 0 95 -2,-0.9 68,-0.2 1,-0.1 2,-0.0 -0.478 11.7-156.6 -77.3 133.8 34.8 20.2 8.9 28 34 A G - 0 0 32 66,-3.2 2,-0.8 -2,-0.2 68,-0.3 -0.001 38.2 -68.0 -86.3-158.7 33.1 22.3 11.6 29 35 A E > - 0 0 96 1,-0.2 3,-2.2 66,-0.1 4,-0.2 -0.860 29.9-158.2-108.6 109.3 34.4 23.6 14.8 30 36 A Q G > S+ 0 0 62 -2,-0.8 3,-1.5 66,-0.3 -1,-0.2 0.773 91.8 62.2 -43.3 -43.0 35.3 21.0 17.5 31 37 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.577 86.8 75.2 -67.7 -9.9 35.1 23.7 20.3 32 38 A D G < S+ 0 0 42 -3,-2.2 21,-2.5 1,-0.1 22,-0.5 0.633 94.2 55.7 -70.7 -19.3 31.4 24.2 19.5 33 39 A Y E < -A 52 0A 30 -3,-1.5 2,-0.4 19,-0.2 19,-0.2 -0.971 64.9-168.4-127.1 121.3 30.4 20.9 21.2 34 40 A E E -A 51 0A 117 17,-2.6 17,-2.3 -2,-0.5 2,-0.3 -0.898 25.2-119.6-113.1 138.5 31.2 19.9 24.7 35 41 A V E +A 50 0A 82 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.511 29.1 175.5 -71.9 131.2 30.7 16.3 26.2 36 42 A V E - 0 0 85 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.820 62.5 -26.0-100.0 -54.4 28.2 16.1 29.2 37 43 A R E -A 49 0A 128 12,-1.4 12,-2.7 0, 0.0 -1,-0.4 -0.976 66.5 -94.7-159.0 156.8 28.0 12.3 29.9 38 44 A K E +A 48 0A 102 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.451 37.4 170.1 -72.8 139.3 28.5 9.0 28.2 39 45 A V E - 0 0 63 8,-3.5 2,-0.3 1,-0.4 9,-0.2 0.549 56.6 -17.1-125.0 -20.5 25.3 7.4 26.8 40 46 A G E -A 47 0A 25 7,-2.0 7,-2.8 2,-0.0 -1,-0.4 -0.985 50.0-157.2-170.8 179.4 26.3 4.5 24.6 41 47 A R E -A 46 0A 185 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.969 4.6-173.6-164.5 152.8 29.0 2.7 22.8 42 48 A G E > -A 45 0A 30 3,-2.4 3,-0.9 -2,-0.3 -2,-0.0 -0.855 51.7 -82.6-139.7-175.9 29.6 0.2 20.0 43 49 A K T 3 S+ 0 0 157 -2,-0.3 3,-0.0 1,-0.2 -1,-0.0 0.821 129.6 36.4 -56.8 -28.7 32.4 -1.7 18.4 44 50 A Y T 3 S+ 0 0 127 1,-0.1 21,-2.2 20,-0.1 2,-0.3 0.407 121.4 9.8-108.3 3.4 33.1 1.6 16.4 45 51 A S E < -AB 42 64A 11 -3,-0.9 -3,-2.4 19,-0.3 2,-0.3 -0.973 54.6-125.0-169.1 162.5 32.5 4.5 18.6 46 52 A E E -AB 41 63A 81 17,-1.7 17,-2.8 -2,-0.3 2,-0.4 -0.954 34.7-148.8-118.5 145.1 31.7 5.9 22.2 47 53 A V E -AB 40 62A 28 -7,-2.8 -8,-3.5 -2,-0.3 -7,-2.0 -0.964 15.5-175.3-132.2 130.3 28.5 8.1 22.2 48 54 A F E -AB 38 61A 27 13,-2.5 13,-2.9 -2,-0.4 2,-0.4 -0.941 31.4-121.2-129.0 143.5 27.8 11.1 24.5 49 55 A E E -AB 37 60A 19 -12,-2.7 -13,-3.0 -2,-0.3 -12,-1.4 -0.691 49.6-179.1 -71.3 136.7 25.1 13.5 25.3 50 56 A G E -AB 35 59A 0 9,-3.0 9,-1.7 -2,-0.4 2,-0.4 -0.766 26.5-125.1-127.6 179.6 26.6 16.9 24.5 51 57 A I E -AB 34 58A 50 -17,-2.3 -17,-2.6 -2,-0.2 2,-0.7 -0.994 14.9-136.2-127.0 136.6 25.9 20.6 24.5 52 58 A N E > -A 33 0A 28 5,-2.7 4,-1.8 -2,-0.4 5,-0.3 -0.830 20.2-152.0 -83.8 114.3 26.2 23.0 21.6 53 59 A V T 4 S+ 0 0 57 -21,-2.5 -1,-0.1 -2,-0.7 -20,-0.1 0.745 86.9 59.4 -69.6 -22.0 28.0 26.0 23.4 54 60 A N T 4 S+ 0 0 105 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.918 125.3 11.5 -67.6 -48.6 26.4 28.6 21.0 55 61 A N T 4 S- 0 0 77 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.372 94.6-125.0-114.9 4.2 22.7 28.0 21.6 56 62 A N < + 0 0 121 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.655 60.4 146.2 59.6 19.3 23.0 25.7 24.7 57 63 A E - 0 0 126 -5,-0.3 -5,-2.7 1,-0.1 -1,-0.2 -0.557 51.7-108.1 -82.7 153.8 20.9 23.0 23.0 58 64 A K E +B 51 0A 117 -7,-0.2 51,-0.5 -2,-0.2 2,-0.3 -0.434 42.6 168.2 -76.2 156.3 21.5 19.3 23.6 59 65 A C E -B 50 0A 4 -9,-1.7 -9,-3.0 49,-0.2 2,-0.5 -0.885 33.5-111.2-151.1 177.5 23.1 17.1 20.9 60 66 A I E -BC 49 107A 27 47,-2.3 47,-2.8 -2,-0.3 2,-0.5 -0.991 23.8-156.5-119.3 133.6 24.7 13.6 20.6 61 67 A I E -BC 48 106A 6 -13,-2.9 -13,-2.5 -2,-0.5 2,-0.8 -0.916 3.2-165.5-112.1 125.2 28.4 13.2 20.0 62 68 A K E -BC 47 105A 19 43,-2.9 43,-2.4 -2,-0.5 2,-0.7 -0.900 7.7-161.1-114.1 109.1 29.7 10.1 18.3 63 69 A I E -BC 46 104A 50 -17,-2.8 -17,-1.7 -2,-0.8 2,-0.2 -0.785 16.9-138.0 -92.2 116.3 33.4 9.8 18.8 64 70 A L E -B 45 0A 10 39,-2.3 -19,-0.3 -2,-0.7 3,-0.1 -0.516 0.6-136.0 -82.7 140.6 34.7 7.4 16.3 65 71 A K - 0 0 93 -21,-2.2 -21,-0.0 -2,-0.2 -1,-0.0 -0.433 63.3 -57.5 -76.8 161.3 37.4 4.8 17.0 66 72 A P S S+ 0 0 139 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.235 73.3 176.1 -50.8 128.5 40.1 4.7 14.2 67 73 A V - 0 0 52 -3,-0.1 2,-0.1 2,-0.0 -3,-0.0 -0.963 33.1-100.8-138.9 147.0 38.3 3.9 11.0 68 74 A K > - 0 0 177 -2,-0.3 4,-2.2 1,-0.1 5,-0.3 -0.403 32.1-121.1 -65.7 143.1 39.3 3.7 7.3 69 75 A K H > S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.865 110.2 53.6 -54.7 -44.7 38.6 6.7 5.1 70 76 A K H > S+ 0 0 97 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.918 109.4 48.2 -55.7 -48.3 36.3 4.6 2.7 71 77 A K H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.942 112.7 45.8 -61.2 -51.3 34.2 3.3 5.5 72 78 A I H X S+ 0 0 18 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.846 110.3 53.7 -65.4 -35.4 33.6 6.6 7.2 73 79 A K H X S+ 0 0 30 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.834 105.2 53.8 -68.9 -27.8 32.8 8.4 4.0 74 80 A R H X S+ 0 0 38 -4,-1.4 4,-2.1 -3,-0.5 -2,-0.2 0.919 111.3 47.0 -65.8 -42.8 30.1 5.8 3.1 75 81 A E H X S+ 0 0 12 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.939 115.4 44.8 -67.5 -45.0 28.5 6.5 6.5 76 82 A I H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.935 111.9 50.0 -62.7 -50.0 28.7 10.3 6.1 77 83 A K H X S+ 0 0 36 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.937 111.8 49.5 -60.4 -41.6 27.5 10.5 2.5 78 84 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.951 112.0 48.3 -58.9 -49.6 24.4 8.2 3.4 79 85 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 12,-0.3 0.904 112.9 48.1 -58.6 -39.5 23.6 10.4 6.4 80 86 A Q H < S+ 0 0 85 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.905 111.2 50.9 -69.5 -45.2 23.9 13.6 4.2 81 87 A N H < S+ 0 0 30 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.848 119.2 36.8 -57.2 -35.4 21.7 12.0 1.4 82 88 A L H >< S+ 0 0 0 -4,-2.2 3,-2.4 -5,-0.2 -2,-0.2 0.652 82.2 123.2 -99.2 -12.2 19.0 11.1 3.9 83 89 A X T 3< S+ 0 0 66 -4,-1.9 7,-0.1 1,-0.3 6,-0.1 -0.194 80.2 26.7 -51.3 127.6 19.1 14.1 6.3 84 90 A G T 3 S+ 0 0 50 4,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.148 90.9 126.3 99.4 -21.6 15.6 15.6 6.4 85 91 A G S X S- 0 0 3 -3,-2.4 3,-1.6 1,-0.2 -1,-0.3 -0.373 77.8 -76.9 -64.9 152.4 13.8 12.3 5.5 86 92 A P T 3 S- 0 0 59 0, 0.0 -1,-0.2 0, 0.0 54,-0.2 -0.253 109.8 -10.1 -60.2 127.4 10.9 11.2 7.9 87 93 A N T 3 S+ 0 0 21 1,-0.2 80,-2.6 -3,-0.1 2,-0.6 0.670 93.9 135.2 58.9 17.2 12.3 9.7 11.0 88 94 A I B < -e 167 0B 1 -3,-1.6 -4,-0.4 78,-0.2 -1,-0.2 -0.900 65.6-107.9 -89.8 129.7 15.9 9.5 9.9 89 95 A V - 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0 0 92 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.881 52.1-140.8-142.1 97.9 10.0 -12.9 23.3 224 230 A E S S+ 0 0 59 -2,-0.4 2,-0.1 1,-0.2 -9,-0.0 -0.950 88.3 17.8-116.4 119.6 13.2 -10.9 22.8 225 231 A P S S- 0 0 25 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.716 79.2-159.3 -82.1 156.5 14.9 -11.9 20.6 226 232 A F S S+ 0 0 5 -12,-0.3 2,-0.8 1,-0.2 -2,-0.1 0.948 89.1 39.1 -64.4 -51.3 12.3 -14.0 18.8 227 233 A F S S- 0 0 3 -37,-0.4 2,-1.1 -4,-0.1 -1,-0.2 -0.874 78.6-171.8 -98.9 99.4 14.9 -16.2 16.9 228 234 A Y + 0 0 126 -2,-0.8 2,-0.3 -3,-0.2 -38,-0.0 -0.691 17.5 159.4 -98.7 73.8 17.6 -16.8 19.6 229 235 A G - 0 0 1 -2,-1.1 6,-0.1 1,-0.1 -39,-0.1 -0.785 36.1-144.6 -96.6 155.5 20.5 -18.6 17.8 230 236 A H S S+ 0 0 131 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.719 79.3 1.5 -94.5 -24.8 24.1 -18.6 19.1 231 237 A D S > S- 0 0 85 -42,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.894 93.0 -82.8-147.5 179.5 26.1 -18.4 15.9 232 238 A N H > S+ 0 0 54 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.804 125.1 48.0 -67.3 -26.0 25.1 -18.1 12.3 233 239 A H H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 112.9 48.4 -72.1 -48.7 24.4 -21.8 11.7 234 240 A D H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.833 105.5 61.4 -59.1 -36.6 22.3 -22.1 14.8 235 241 A Q H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.934 105.3 46.0 -57.5 -48.2 20.4 -18.9 13.7 236 242 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.914 110.4 54.8 -59.4 -37.4 19.2 -20.6 10.5 237 243 A V H X S+ 0 0 8 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.932 106.5 50.7 -56.7 -45.3 18.2 -23.7 12.6 238 244 A K H < S+ 0 0 64 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.853 111.6 47.8 -66.5 -31.5 16.1 -21.6 14.9 239 245 A I H >X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 3,-1.4 0.913 109.8 52.3 -73.7 -45.7 14.3 -20.0 11.9 240 246 A A H 3X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.3 -2,-0.2 0.857 100.5 63.0 -61.3 -28.4 13.7 -23.5 10.3 241 247 A K H 3< S+ 0 0 85 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.693 116.4 30.1 -66.3 -22.1 12.1 -24.7 13.5 242 248 A V H <4 S+ 0 0 12 -3,-1.4 31,-2.6 -4,-0.4 -2,-0.2 0.798 127.2 37.0 -99.9 -52.6 9.4 -22.1 13.1 243 249 A L H < S- 0 0 15 -4,-3.1 4,-0.3 29,-0.2 29,-0.2 0.736 108.6-129.1 -75.7 -20.6 9.0 -21.6 9.3 244 250 A G X - 0 0 2 -4,-1.8 4,-0.7 -5,-0.4 27,-0.2 0.178 13.8 -95.1 86.0 155.0 9.6 -25.3 8.7 245 251 A T H > S+ 0 0 4 25,-2.5 4,-2.5 2,-0.2 5,-0.1 0.699 110.8 69.6 -82.9 -22.7 12.0 -27.0 6.3 246 252 A D H > S+ 0 0 129 24,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.959 103.8 45.3 -57.7 -47.9 9.7 -27.6 3.3 247 253 A G H > S+ 0 0 27 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.817 109.8 55.7 -63.0 -33.0 9.5 -23.8 2.6 248 254 A L H X S+ 0 0 2 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.945 107.2 49.7 -63.9 -47.8 13.3 -23.6 3.1 249 255 A N H X S+ 0 0 66 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.868 108.1 52.4 -59.1 -43.7 13.8 -26.3 0.4 250 256 A V H X S+ 0 0 94 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.951 112.0 47.5 -54.9 -48.4 11.5 -24.4 -2.1 251 257 A Y H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.933 111.3 48.1 -56.6 -49.9 13.5 -21.2 -1.5 252 258 A L H <>S+ 0 0 9 -4,-2.5 5,-3.1 1,-0.2 -1,-0.2 0.896 115.2 46.6 -62.6 -41.0 17.0 -22.9 -2.0 253 259 A N H ><5S+ 0 0 127 -4,-2.1 3,-1.1 3,-0.2 -1,-0.2 0.904 108.8 54.0 -68.0 -47.8 15.8 -24.7 -5.2 254 260 A K H 3<5S+ 0 0 107 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.931 119.0 35.7 -49.7 -45.7 14.2 -21.5 -6.6 255 261 A Y T 3<5S- 0 0 42 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.304 110.4-119.3 -96.4 10.9 17.6 -19.7 -6.1 256 262 A R T < 5 + 0 0 224 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.869 58.1 155.7 59.1 40.5 19.8 -22.7 -7.0 257 263 A I < - 0 0 34 -5,-3.1 2,-0.5 -6,-0.2 -1,-0.2 -0.831 31.7-159.9-107.2 140.6 21.5 -22.8 -3.6 258 264 A E - 0 0 176 -2,-0.4 2,-0.2 -60,-0.1 -5,-0.0 -0.964 18.3-137.0-115.1 120.7 23.2 -25.7 -1.9 259 265 A L - 0 0 17 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.541 34.3 -91.5 -68.6 145.0 23.6 -25.6 1.8 260 266 A D > - 0 0 78 -2,-0.2 4,-3.1 1,-0.1 3,-0.5 -0.315 38.9-114.8 -49.5 136.1 26.9 -26.7 3.3 261 267 A P H > S+ 0 0 107 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.844 114.9 44.1 -43.2 -50.5 26.8 -30.4 4.3 262 268 A Q H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.827 113.1 52.6 -72.8 -29.5 27.2 -29.8 8.1 263 269 A L H > S+ 0 0 2 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.933 106.1 54.0 -66.1 -48.3 24.6 -27.0 7.9 264 270 A E H X S+ 0 0 122 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.924 110.8 48.2 -45.0 -50.8 22.2 -29.3 6.1 265 271 A A H < S+ 0 0 79 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.863 109.6 48.5 -65.2 -39.5 22.7 -31.7 9.0 266 272 A L H < S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 110.5 54.9 -69.7 -32.9 22.2 -29.2 11.9 267 273 A V H < S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.873 82.3 166.3 -65.8 -38.7 19.0 -28.0 10.1 268 274 A G < - 0 0 40 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.1 -0.266 48.0 -49.8 61.9-139.6 17.3 -31.4 9.9 269 275 A R + 0 0 194 -25,-0.0 2,-0.3 -28,-0.0 -1,-0.1 -0.999 60.1 172.8-140.1 128.2 13.6 -31.6 9.1 270 276 A H - 0 0 58 -2,-0.4 -25,-2.5 -30,-0.1 -24,-0.6 -1.000 28.9-123.9-143.9 141.5 10.8 -29.6 10.8 271 277 A S - 0 0 104 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.3 -0.425 42.3 -99.6 -68.5 156.3 7.2 -29.0 10.5 272 278 A R - 0 0 117 -29,-0.2 -29,-0.2 -28,-0.1 -30,-0.1 -0.595 35.8-140.4 -75.0 135.2 6.0 -25.4 10.1 273 279 A K - 0 0 79 -31,-2.6 5,-0.1 -2,-0.3 -1,-0.0 -0.916 19.7-118.8 -97.8 120.2 4.7 -24.1 13.5 274 280 A P > - 0 0 62 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.238 21.7-119.8 -52.3 147.1 1.5 -21.9 13.3 275 281 A W G > S+ 0 0 15 1,-0.3 3,-1.7 2,-0.2 4,-0.1 0.789 110.2 68.6 -66.5 -27.2 2.1 -18.4 14.6 276 282 A L G > S+ 0 0 103 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.677 80.3 78.0 -64.9 -16.5 -0.6 -19.0 17.3 277 283 A K G < S+ 0 0 128 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.791 91.0 52.7 -68.4 -15.2 1.6 -21.5 18.9 278 284 A F G < S+ 0 0 30 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.2 0.429 83.7 108.5 -94.9 -0.9 3.6 -18.6 20.5 279 285 A M < + 0 0 77 -3,-1.6 2,-0.3 -4,-0.1 -58,-0.1 -0.561 41.1 160.0 -77.6 146.3 0.6 -16.9 22.0 280 286 A N >> - 0 0 81 -2,-0.2 4,-1.7 1,-0.0 3,-0.6 -0.923 54.9 -82.4-149.7-178.8 0.3 -17.1 25.8 281 287 A A T 34 S+ 0 0 84 -2,-0.3 4,-0.3 1,-0.2 -2,-0.0 0.834 123.1 51.1 -58.2 -36.7 -1.5 -15.2 28.6 282 288 A D T 34 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.792 121.0 31.6 -72.8 -33.7 1.0 -12.4 28.9 283 289 A N T X4 S+ 0 0 0 -3,-0.6 3,-2.5 -62,-0.1 4,-0.5 0.510 85.9 100.5-100.9 -6.7 1.1 -11.6 25.2 284 290 A Q T 3< S+ 0 0 125 -4,-1.7 3,-0.5 1,-0.3 -1,-0.1 0.733 73.5 67.3 -59.3 -22.9 -2.5 -12.4 24.0 285 291 A H T 3 S+ 0 0 103 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.520 109.4 40.7 -72.6 3.7 -3.5 -8.7 24.0 286 292 A L S < S+ 0 0 3 -3,-2.5 2,-0.3 -66,-0.2 -1,-0.2 0.611 94.0 75.8-124.2 -13.7 -1.1 -8.3 21.1 287 293 A V + 0 0 8 -4,-0.5 -1,-0.1 -3,-0.5 -2,-0.1 -0.309 59.8 152.3-107.1 46.0 -1.4 -11.3 18.8 288 294 A S > - 0 0 41 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.080 60.5 -97.0 -72.8 167.4 -4.6 -10.5 16.9 289 295 A P H > S+ 0 0 110 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.811 123.1 52.1 -63.8 -35.8 -5.3 -11.7 13.4 290 296 A E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 27,-0.3 0.909 110.7 50.3 -63.7 -38.2 -4.3 -8.5 11.6 291 297 A A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.922 113.2 45.0 -61.7 -44.6 -0.9 -8.7 13.5 292 298 A I H X S+ 0 0 23 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.925 112.0 50.8 -69.8 -40.6 -0.3 -12.2 12.5 293 299 A D H X S+ 0 0 59 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.911 114.0 46.1 -63.1 -43.6 -1.3 -11.7 8.9 294 300 A F H >X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 3,-0.6 0.962 114.4 46.8 -59.6 -51.3 1.1 -8.7 8.8 295 301 A L H >X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 3,-1.2 0.917 108.7 55.2 -53.6 -40.9 3.9 -10.7 10.5 296 302 A D H 3< S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.762 105.1 53.8 -72.7 -24.5 3.4 -13.7 8.2 297 303 A K H << S+ 0 0 70 -4,-1.2 10,-1.9 -3,-0.6 -1,-0.3 0.607 114.4 41.3 -88.8 -7.4 3.9 -11.4 5.1 298 304 A L H << S+ 0 0 0 -3,-1.2 2,-2.0 -4,-0.8 -2,-0.2 0.878 104.1 63.9 -95.1 -45.5 7.3 -10.1 6.5 299 305 A L S < S+ 0 0 1 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.2 -0.498 71.6 136.1 -85.3 72.8 8.8 -13.4 7.8 300 306 A R - 0 0 68 -2,-2.0 6,-0.1 -3,-0.2 -3,-0.0 -0.967 57.3-138.0-122.0 134.6 9.1 -15.2 4.5 301 307 A Y S S+ 0 0 15 -2,-0.4 2,-0.8 1,-0.1 -106,-0.3 0.956 92.1 75.5 -55.3 -41.9 12.2 -17.2 3.5 302 308 A D S >> S- 0 0 10 1,-0.2 3,-2.0 -3,-0.1 4,-0.8 -0.504 70.4-158.7 -84.0 109.5 11.9 -15.7 -0.1 303 309 A H G >4 S+ 0 0 2 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.803 90.9 58.3 -53.5 -35.2 13.0 -12.1 -0.0 304 310 A Q G 34 S+ 0 0 48 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.721 102.8 53.6 -71.0 -14.9 11.0 -11.4 -3.2 305 311 A E G <4 S+ 0 0 103 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.642 86.2 102.7 -93.4 -15.5 7.8 -12.4 -1.6 306 312 A R S << S- 0 0 5 -4,-0.8 -8,-0.2 -3,-0.5 -9,-0.1 -0.198 82.8 -95.7 -67.9 153.0 8.1 -10.1 1.5 307 313 A L - 0 0 25 -10,-1.9 2,-0.2 -13,-0.2 -1,-0.1 -0.372 35.6-123.0 -60.6 143.1 6.0 -6.9 1.7 308 314 A T > - 0 0 25 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.467 27.9-109.3 -72.5 158.0 7.7 -3.7 0.6 309 315 A A H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -170,-0.2 0.889 121.6 50.9 -58.5 -40.5 7.8 -0.9 3.2 310 316 A L H > S+ 0 0 93 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.909 111.3 45.5 -61.0 -42.1 5.3 1.0 1.1 311 317 A E H >4 S+ 0 0 86 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.866 110.8 56.9 -70.1 -36.9 2.8 -2.0 0.8 312 318 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 6,-0.3 0.856 98.9 57.7 -62.3 -38.9 3.3 -2.6 4.6 313 319 A M H 3< S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.835 106.2 50.6 -61.0 -28.3 2.2 0.9 5.5 314 320 A T T << S+ 0 0 92 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.435 81.7 121.0 -88.0 2.6 -1.2 0.2 3.7 315 321 A H S X S- 0 0 11 -3,-1.5 3,-1.7 -4,-0.3 -25,-0.0 -0.411 76.0-118.4 -77.6 142.9 -1.8 -3.2 5.5 316 322 A P G > S+ 0 0 60 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.667 107.9 78.4 -58.9 -22.6 -5.1 -3.2 7.5 317 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.2 4,-0.2 0.882 99.6 41.6 -47.6 -36.0 -3.1 -3.7 10.7 318 324 A F G <> S+ 0 0 0 -3,-1.7 4,-2.4 -6,-0.3 5,-0.2 0.224 77.5 114.6 -95.8 6.5 -2.3 0.1 10.6 319 325 A Q H <> S+ 0 0 115 -3,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.870 77.3 47.7 -55.7 -40.2 -5.6 1.5 9.6 320 326 A Q H > S+ 0 0 130 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.893 109.9 53.8 -69.2 -33.3 -6.2 3.4 12.8 321 327 A V H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.919 111.2 46.9 -59.7 -43.4 -2.7 4.9 12.7 322 328 A R H X S+ 0 0 60 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.848 109.5 54.0 -67.6 -32.1 -3.5 6.1 9.2 323 329 A A H < S+ 0 0 54 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.949 107.0 50.5 -69.7 -45.0 -6.9 7.5 10.3 324 330 A A H >< S+ 0 0 55 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.866 111.4 49.1 -62.8 -36.9 -5.3 9.6 13.1 325 331 A E H 3< S+ 0 0 84 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.902 101.7 61.3 -65.1 -43.2 -2.8 11.0 10.6 326 332 A N T 3< 0 0 144 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.432 360.0 360.0 -63.5 2.3 -5.6 11.8 8.1 327 333 A S < 0 0 135 -3,-1.0 -1,-0.2 -4,-0.2 -3,-0.1 -0.465 360.0 360.0-102.2 360.0 -6.9 14.1 10.9