==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-AUG-10 3OFM . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA'; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.BISCHOFF,B.OLSEN,J.RAAF,M.BRETNER,O.-G.ISSINGER,K.NIEFIND . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.3 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 . 45 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 27.7 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 4 1 1 0 0 0 2 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 2 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 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 8 A S 0 0 34 0, 0.0 178,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.3 9.7 11.1 -14.3 2 9 A R - 0 0 129 176,-0.1 2,-0.1 177,-0.1 202,-0.1 -0.970 360.0-108.6-126.8 138.8 11.5 11.1 -10.9 3 10 A A - 0 0 7 -2,-0.4 4,-0.2 1,-0.1 301,-0.1 -0.419 21.7-138.4 -61.4 136.6 10.3 10.6 -7.4 4 11 A R S S+ 0 0 120 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.795 83.8 38.9 -61.0 -33.3 10.3 13.8 -5.3 5 12 A V S S+ 0 0 42 1,-0.1 200,-0.2 2,-0.1 4,-0.1 -0.874 119.7 2.3-129.1 149.9 11.6 12.0 -2.3 6 13 A Y S > S+ 0 0 74 -2,-0.3 3,-0.8 1,-0.1 4,-0.3 0.743 78.8 146.2 51.8 28.0 14.2 9.3 -1.4 7 14 A A T 3 S+ 0 0 22 1,-0.3 3,-0.3 -4,-0.2 4,-0.2 0.892 70.9 31.6 -69.7 -43.0 14.9 9.2 -5.1 8 15 A E T 3> S+ 0 0 100 1,-0.2 4,-1.2 2,-0.1 -1,-0.3 0.167 84.9 117.8-100.6 16.5 18.7 8.4 -4.9 9 16 A V T X4 S+ 0 0 21 -3,-0.8 3,-0.6 1,-0.2 4,-0.4 0.910 78.1 41.3 -47.7 -54.0 18.4 6.3 -1.7 10 17 A N G >4 S+ 0 0 1 166,-0.4 3,-1.3 -4,-0.3 -1,-0.2 0.881 109.1 57.4 -70.4 -37.6 19.6 3.0 -3.2 11 18 A S G 34 S+ 0 0 70 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.726 104.5 54.4 -64.5 -22.4 22.4 4.5 -5.3 12 19 A L G << S+ 0 0 148 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.556 103.2 70.2 -88.0 -9.8 24.0 6.0 -2.2 13 20 A R S < S- 0 0 75 -3,-1.3 5,-0.1 -4,-0.4 -3,-0.0 -0.513 101.1 -73.8 -99.8 170.5 24.1 2.6 -0.4 14 21 A S >> - 0 0 86 -2,-0.2 3,-1.6 1,-0.1 4,-0.7 -0.334 38.8-122.4 -58.5 142.7 26.2 -0.5 -1.0 15 22 A R H >> S+ 0 0 155 1,-0.3 4,-2.8 2,-0.2 3,-0.9 0.898 113.2 67.8 -51.5 -42.9 25.2 -2.5 -4.1 16 23 A E H 34 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.780 91.1 63.2 -43.1 -36.4 24.7 -5.4 -1.6 17 24 A Y H <4 S+ 0 0 29 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.904 120.0 17.3 -62.0 -46.1 21.7 -3.5 -0.2 18 25 A W H << S+ 0 0 56 -3,-0.9 2,-2.3 -4,-0.7 3,-0.2 0.587 98.6 93.9-105.7 -16.1 19.6 -3.5 -3.4 19 26 A D >< + 0 0 35 -4,-2.8 3,-1.6 1,-0.2 4,-0.2 -0.454 48.0 166.3 -81.2 71.1 21.2 -6.3 -5.5 20 27 A Y G > + 0 0 23 -2,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.761 63.6 68.7 -62.7 -28.9 18.8 -8.9 -4.1 21 28 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.760 100.9 49.4 -62.8 -25.3 19.7 -11.5 -6.8 22 29 A A G < S+ 0 0 68 -3,-1.6 -1,-0.3 -6,-0.1 2,-0.2 0.412 87.7 113.8 -90.2 -0.5 23.2 -11.8 -5.1 23 30 A H < - 0 0 28 -3,-1.7 54,-0.1 -4,-0.2 53,-0.1 -0.538 51.7-159.9 -75.0 136.0 21.6 -12.2 -1.7 24 31 A V - 0 0 120 -2,-0.2 2,-0.1 53,-0.0 -3,-0.0 -0.917 10.8-152.3-117.3 99.6 22.1 -15.6 -0.0 25 32 A P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 48,-0.0 -0.389 17.6-122.1 -68.7 150.4 19.5 -16.3 2.7 26 33 A S - 0 0 107 -2,-0.1 2,-0.7 69,-0.0 68,-0.3 -0.866 30.7-153.3 -90.6 109.2 20.4 -18.5 5.6 27 34 A W - 0 0 71 -2,-0.8 68,-0.3 66,-0.1 69,-0.0 -0.772 12.3-168.9 -94.0 110.9 17.7 -21.2 5.5 28 35 A G E -a 95 0A 31 66,-2.9 68,-2.5 -2,-0.7 2,-0.5 -0.015 33.2 -77.8 -81.2-169.0 16.8 -22.9 8.8 29 36 A N E > -a 96 0A 66 66,-0.2 3,-1.5 1,-0.1 68,-0.2 -0.833 20.7-150.1-101.7 128.0 14.7 -26.0 9.4 30 37 A Q G > S+ 0 0 25 66,-1.9 3,-2.4 -2,-0.5 67,-0.1 0.660 87.2 86.2 -68.3 -16.3 10.9 -25.9 9.3 31 38 A D G 3 S+ 0 0 99 65,-0.3 -1,-0.3 1,-0.3 22,-0.1 0.713 75.7 70.5 -52.9 -24.7 10.9 -28.8 11.9 32 39 A D G < S+ 0 0 65 -3,-1.5 21,-2.3 20,-0.1 22,-0.5 0.589 96.5 62.9 -66.0 -13.2 11.2 -26.0 14.6 33 40 A Y E < -B 52 0A 18 -3,-2.4 2,-0.5 19,-0.2 19,-0.2 -0.940 66.9-152.6-126.3 138.7 7.6 -25.0 13.8 34 41 A Q E -B 51 0A 115 17,-2.6 17,-2.3 -2,-0.4 2,-0.3 -0.945 21.1-132.7-110.5 120.5 4.2 -26.8 14.1 35 42 A L E +B 50 0A 53 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.551 29.7 170.8 -74.1 134.2 1.5 -25.8 11.7 36 43 A V E - 0 0 70 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.771 57.4 -4.0-111.9 -43.4 -1.8 -25.2 13.6 37 44 A R E -B 49 0A 133 12,-1.7 12,-3.1 0, 0.0 2,-0.4 -0.986 62.8-112.8-160.6 140.5 -4.3 -23.7 11.2 38 45 A K E +B 48 0A 98 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.666 29.2 177.9 -75.6 127.2 -4.6 -22.4 7.6 39 46 A L E - 0 0 76 8,-3.3 2,-0.3 -2,-0.4 9,-0.2 0.752 58.2 -37.1 -98.3 -36.2 -5.1 -18.6 7.7 40 47 A G E -B 47 0A 31 7,-1.7 7,-2.6 2,-0.0 -1,-0.3 -0.975 46.3-140.8-172.4-176.5 -5.2 -17.9 4.0 41 48 A R E +B 46 0A 168 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.976 16.4 168.2-161.7 146.6 -3.9 -18.6 0.5 42 49 A G - 0 0 36 3,-3.0 3,-0.1 -2,-0.3 -2,-0.0 -0.754 54.8 -72.5-143.4-167.2 -3.0 -16.7 -2.7 43 50 A K S S+ 0 0 161 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 0.850 128.7 30.7 -59.2 -37.9 -1.2 -17.1 -6.1 44 51 A Y S S+ 0 0 90 1,-0.1 21,-2.8 20,-0.1 2,-0.3 0.526 123.7 5.7-106.0 -10.7 2.3 -17.2 -4.5 45 52 A S E - C 0 64A 11 19,-0.3 -3,-3.0 -3,-0.1 2,-0.4 -0.983 49.9-129.7-162.3 166.9 1.8 -18.7 -1.1 46 53 A E E -BC 41 63A 45 17,-1.7 17,-2.7 -2,-0.3 2,-0.4 -0.988 29.1-147.3-126.3 143.4 -0.3 -20.4 1.7 47 54 A V E -BC 40 62A 35 -7,-2.6 -8,-3.3 -2,-0.4 -7,-1.7 -0.925 14.4-173.2-123.7 132.7 -0.2 -19.0 5.2 48 55 A F E -BC 38 61A 30 13,-2.8 13,-2.9 -2,-0.4 2,-0.4 -0.949 28.2-125.9-128.3 139.9 -0.6 -20.8 8.5 49 56 A E E +BC 37 60A 17 -12,-3.1 -13,-3.2 -2,-0.4 -12,-1.7 -0.685 47.9 173.5 -70.5 135.4 -0.9 -20.1 12.1 50 57 A A E -BC 35 59A 0 9,-2.8 9,-3.0 -2,-0.4 2,-0.4 -0.921 31.7-126.2-145.0 166.3 1.9 -22.0 13.8 51 58 A I E -BC 34 58A 46 -17,-2.3 -17,-2.6 -2,-0.3 2,-0.8 -0.977 20.0-132.0-118.3 129.0 3.7 -22.6 17.1 52 59 A N E >> -BC 33 57A 17 5,-3.2 4,-1.8 -2,-0.4 5,-0.5 -0.746 22.8-151.3 -75.8 113.3 7.5 -22.3 17.6 53 60 A I T 45S+ 0 0 98 -21,-2.3 -1,-0.2 -2,-0.8 -20,-0.1 0.764 85.3 51.5 -65.1 -30.7 8.1 -25.6 19.4 54 61 A T T 45S+ 0 0 116 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.920 126.0 20.2 -76.1 -46.9 11.2 -24.4 21.4 55 62 A N T 45S- 0 0 75 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.375 98.6-126.5-105.5 1.3 9.8 -21.2 23.0 56 63 A N T <5 + 0 0 130 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.625 55.9 151.5 68.1 17.1 6.1 -22.1 22.6 57 64 A E E < -C 52 0A 112 -5,-0.5 -5,-3.2 1,-0.1 2,-0.3 -0.568 48.3-118.5 -87.7 143.0 5.3 -18.8 20.8 58 65 A R E +C 51 0A 118 -2,-0.2 51,-0.7 -7,-0.2 2,-0.2 -0.614 44.8 161.7 -76.3 132.0 2.6 -18.3 18.2 59 66 A V E -CD 50 108A 2 -9,-3.0 -9,-2.8 -2,-0.3 2,-0.4 -0.791 36.9-112.8-137.4 179.2 3.8 -17.3 14.8 60 67 A V E -CD 49 107A 19 47,-2.3 47,-3.4 -2,-0.2 2,-0.5 -0.994 22.2-158.6-122.5 130.4 2.8 -17.2 11.1 61 68 A V E -CD 48 106A 0 -13,-2.9 -13,-2.8 -2,-0.4 2,-0.7 -0.946 0.6-163.0-113.1 121.4 4.4 -19.4 8.5 62 69 A K E -CD 47 105A 11 43,-3.2 43,-2.7 -2,-0.5 2,-0.6 -0.927 8.8-156.0-104.6 108.8 4.1 -18.4 4.8 63 70 A I E -CD 46 104A 40 -17,-2.7 -17,-1.7 -2,-0.7 2,-0.4 -0.803 17.2-134.0 -89.0 119.6 5.0 -21.4 2.6 64 71 A L E -C 45 0A 10 39,-1.9 -19,-0.3 -2,-0.6 3,-0.1 -0.587 13.5-138.4 -83.9 128.9 6.1 -20.1 -0.8 65 72 A K - 0 0 52 -21,-2.8 2,-0.5 -2,-0.4 -1,-0.1 -0.400 48.0 -62.7 -80.2 159.6 4.7 -21.7 -3.9 66 73 A P S S+ 0 0 140 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.210 79.2 137.9 -50.3 97.1 6.9 -22.6 -7.0 67 74 A V - 0 0 46 -2,-0.5 5,-0.1 -3,-0.1 2,-0.0 -0.876 63.8 -73.8-128.4 168.3 8.2 -19.2 -8.3 68 75 A K >> - 0 0 136 -2,-0.3 3,-1.2 1,-0.1 4,-1.0 -0.364 41.7-123.1 -61.9 140.8 11.6 -18.3 -9.6 69 76 A K H 3> S+ 0 0 156 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.708 107.1 71.9 -61.3 -22.1 14.1 -18.0 -6.7 70 77 A K H 3> S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.899 98.2 47.0 -56.1 -45.8 14.8 -14.4 -7.8 71 78 A K H <> S+ 0 0 25 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.828 112.0 50.7 -69.4 -32.9 11.4 -13.3 -6.5 72 79 A I H X S+ 0 0 15 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.919 110.8 48.4 -68.9 -44.6 12.0 -15.2 -3.2 73 80 A K H X S+ 0 0 67 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.892 109.7 54.4 -60.8 -38.9 15.4 -13.5 -2.8 74 81 A R H X S+ 0 0 29 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.958 110.8 43.6 -60.1 -52.7 13.8 -10.1 -3.5 75 82 A E H X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.912 115.4 48.2 -60.1 -47.4 11.1 -10.6 -0.7 76 83 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.903 113.7 46.4 -62.7 -41.8 13.6 -11.9 1.8 77 84 A K H X S+ 0 0 21 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.894 111.3 51.8 -68.9 -39.9 16.2 -9.1 1.2 78 85 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.925 111.0 48.3 -61.6 -43.2 13.4 -6.4 1.3 79 86 A L H < S+ 0 0 4 -4,-2.3 4,-0.3 2,-0.2 12,-0.2 0.881 111.5 49.5 -65.7 -38.7 12.3 -7.8 4.7 80 87 A E H >< S+ 0 0 66 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.919 111.0 49.9 -64.8 -43.9 15.9 -7.9 6.0 81 88 A N H 3< S+ 0 0 22 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.799 114.0 45.9 -61.9 -31.1 16.4 -4.3 4.9 82 89 A L T >< S+ 0 0 1 -4,-1.6 3,-2.2 -5,-0.2 -1,-0.2 0.355 81.1 137.1 -95.2 3.1 13.1 -3.3 6.6 83 90 A R T < S+ 0 0 128 -3,-1.0 3,-0.1 -4,-0.3 7,-0.1 -0.244 74.5 16.3 -55.2 133.8 13.8 -5.1 9.9 84 91 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 4,-0.2 2,-0.1 0.489 92.2 149.1 77.3 4.2 12.9 -3.0 13.0 85 92 A G X - 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0 0 44 -4,-0.4 2,-0.5 -5,-0.3 -1,-0.1 -0.122 44.2 -56.3 64.7-161.3 -17.0 9.2 -21.7 269 276 A Q + 0 0 172 -24,-0.0 2,-0.4 -25,-0.0 -1,-0.1 -0.980 59.8 164.9-123.2 119.6 -17.2 12.8 -20.4 270 277 A H - 0 0 50 -2,-0.5 -25,-2.6 -30,-0.1 -24,-0.5 -0.996 27.4-138.3-139.1 129.4 -17.2 13.5 -16.7 271 278 A S - 0 0 85 -2,-0.4 -27,-0.3 -27,-0.2 2,-0.2 -0.474 42.5 -88.2 -78.6 155.0 -16.6 16.6 -14.7 272 279 A R - 0 0 104 -29,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.470 47.3-133.5 -63.2 134.3 -14.5 16.5 -11.5 273 280 A K - 0 0 61 -31,-3.5 2,-0.3 -2,-0.2 -1,-0.1 -0.669 11.6-116.9 -94.4 143.6 -16.7 15.7 -8.5 274 281 A R > - 0 0 135 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.643 21.2-132.5 -73.9 133.2 -16.6 17.5 -5.1 275 282 A W G > S+ 0 0 5 -2,-0.3 3,-1.8 1,-0.3 4,-0.1 0.786 103.5 71.2 -58.7 -28.1 -15.5 15.1 -2.4 276 283 A E G > S+ 0 0 81 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.688 80.1 76.7 -60.8 -22.0 -18.5 16.4 -0.3 277 284 A N G < S+ 0 0 98 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.692 87.9 58.6 -61.2 -21.4 -20.8 14.6 -2.7 278 285 A F G < S+ 0 0 37 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.459 83.9 104.6 -91.9 -1.1 -19.9 11.2 -1.0 279 286 A I < + 0 0 46 -3,-1.5 2,-0.3 -4,-0.1 -58,-0.1 -0.579 40.8 152.0 -77.9 138.5 -21.1 12.4 2.4 280 287 A H >> - 0 0 97 -2,-0.3 4,-1.5 -59,-0.0 3,-1.4 -0.911 59.1 -78.0-152.1-175.6 -24.4 11.1 3.8 281 288 A S T 34 S+ 0 0 108 1,-0.3 4,-0.3 -2,-0.3 -2,-0.0 0.775 123.5 52.2 -60.7 -30.4 -26.1 10.4 7.2 282 289 A E T 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.595 121.7 29.1 -84.0 -13.7 -24.3 7.1 7.8 283 290 A N T X> S+ 0 0 0 -3,-1.4 3,-1.9 2,-0.1 4,-0.8 0.415 86.5 103.1-122.3 0.8 -20.8 8.5 7.3 284 291 A R G >< S+ 0 0 112 -4,-1.5 3,-1.0 1,-0.3 -3,-0.1 0.853 79.0 57.4 -51.8 -43.6 -21.1 12.2 8.3 285 292 A H G 34 S+ 0 0 107 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.634 106.3 50.5 -65.4 -15.2 -19.4 11.6 11.7 286 293 A L G <4 S+ 0 0 1 -3,-1.9 2,-0.4 -66,-0.3 -1,-0.2 0.610 98.2 78.2 -97.2 -14.9 -16.3 10.2 9.9 287 294 A V << + 0 0 5 -3,-1.0 -163,-0.0 -4,-0.8 3,-0.0 -0.800 50.9 163.8-105.9 135.6 -15.8 13.1 7.5 288 295 A S > - 0 0 14 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.932 53.0-103.2-137.7 161.1 -14.3 16.5 8.3 289 296 A P H > S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.892 125.2 52.6 -49.0 -41.7 -12.9 19.4 6.2 290 297 A E H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 27,-0.3 0.869 107.3 50.9 -62.3 -40.7 -9.4 18.1 7.2 291 298 A A H > S+ 0 0 0 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 111.9 46.4 -67.1 -38.8 -10.2 14.6 6.1 292 299 A L H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.850 110.3 53.0 -73.1 -35.9 -11.4 15.8 2.6 293 300 A D H X S+ 0 0 67 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.920 112.0 45.6 -63.5 -46.1 -8.4 18.1 2.1 294 301 A L H X S+ 0 0 2 -4,-2.0 4,-0.6 2,-0.2 3,-0.5 0.939 113.2 49.6 -61.1 -48.9 -6.0 15.2 2.8 295 302 A L H >X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 3,-1.3 0.911 108.6 53.6 -58.4 -42.5 -8.0 12.8 0.6 296 303 A D H 3< S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 108.7 49.4 -63.8 -30.1 -8.0 15.4 -2.2 297 304 A K H 3< S+ 0 0 62 -4,-1.3 10,-2.0 -3,-0.5 -1,-0.3 0.458 116.7 42.3 -87.6 -4.3 -4.2 15.7 -2.0 298 305 A L H << S+ 0 0 0 -3,-1.3 2,-1.9 -4,-0.6 -2,-0.2 0.786 104.6 60.4-103.0 -48.8 -3.7 11.9 -2.1 299 306 A L S < S+ 0 0 1 -4,-3.0 2,-0.3 -5,-0.2 -1,-0.2 -0.556 76.6 131.2 -87.5 74.6 -6.2 10.9 -4.8 300 307 A R - 0 0 84 -2,-1.9 6,-0.1 -3,-0.2 -3,-0.0 -0.945 60.1-135.4-121.2 144.7 -4.6 12.9 -7.6 301 308 A Y S S+ 0 0 12 -2,-0.3 2,-0.9 -58,-0.1 -106,-0.2 0.944 89.7 81.8 -59.6 -49.8 -3.8 11.6 -11.1 302 309 A D >> - 0 0 12 1,-0.2 3,-1.8 2,-0.1 4,-1.0 -0.455 66.5-162.9 -68.1 101.7 -0.4 13.3 -11.1 303 310 A H T 34 S+ 0 0 1 -2,-0.9 -1,-0.2 1,-0.3 3,-0.2 0.778 88.9 56.4 -57.5 -27.9 1.8 10.9 -9.1 304 311 A Q T 34 S+ 0 0 56 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.630 106.5 49.6 -78.6 -14.3 4.4 13.7 -8.6 305 312 A Q T <4 S+ 0 0 103 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.569 85.7 104.5-103.1 -11.0 1.8 16.0 -7.0 306 313 A R S < S- 0 0 2 -4,-1.0 -8,-0.2 -3,-0.2 -9,-0.1 -0.391 84.5 -96.5 -60.9 145.7 0.4 13.4 -4.5 307 314 A L - 0 0 21 -10,-2.0 -1,-0.1 -13,-0.2 2,-0.1 -0.373 34.2-124.3 -60.1 140.3 1.5 13.9 -0.9 308 315 A T > - 0 0 20 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.403 33.1-102.2 -70.6 163.6 4.5 11.9 0.2 309 316 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -170,-0.1 0.868 124.6 50.7 -57.4 -39.5 3.8 9.7 3.3 310 317 A K H > S+ 0 0 96 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.894 109.4 48.8 -66.3 -44.6 5.7 12.3 5.5 311 318 A E H 4 S+ 0 0 65 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.871 112.7 49.2 -61.3 -39.5 3.7 15.3 4.1 312 319 A A H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 6,-0.2 0.895 108.0 53.5 -66.3 -41.6 0.5 13.3 4.8 313 320 A M H 3< S+ 0 0 27 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.810 107.5 52.6 -60.3 -32.6 1.7 12.5 8.3 314 321 A E T 3< S+ 0 0 136 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.527 85.8 114.5 -81.6 -7.8 2.2 16.3 8.9 315 322 A H S X S- 0 0 15 -3,-1.1 3,-2.1 -4,-0.4 4,-0.2 -0.342 79.3-117.1 -66.3 142.9 -1.3 17.2 7.7 316 323 A P G > S+ 0 0 81 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.732 107.3 77.7 -50.7 -30.0 -3.7 18.7 10.3 317 324 A Y G 3 S+ 0 0 0 -27,-0.3 4,-0.2 1,-0.3 -26,-0.1 0.820 97.7 45.4 -47.7 -35.0 -6.0 15.6 10.0 318 325 A F G X> S+ 0 0 2 -3,-2.1 4,-2.1 -6,-0.2 3,-0.6 0.381 82.3 100.2 -96.2 4.6 -3.5 13.7 12.2 319 326 A Y H <> S+ 0 0 138 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.887 80.1 53.3 -58.2 -43.3 -3.1 16.5 14.8 320 327 A P H 3> S+ 0 0 46 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.820 110.0 49.8 -61.5 -28.8 -5.5 14.8 17.3 321 328 A V H <> S+ 0 0 9 -3,-0.6 4,-1.0 2,-0.2 -2,-0.2 0.901 112.4 46.0 -73.6 -42.3 -3.4 11.6 17.0 322 329 A V H < S+ 0 0 70 -4,-2.1 -3,-0.2 2,-0.2 -1,-0.1 0.883 110.8 53.1 -67.8 -40.5 -0.1 13.4 17.6 323 330 A K H < S+ 0 0 129 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.904 109.5 47.9 -60.5 -44.9 -1.6 15.3 20.6 324 331 A E H < 0 0 146 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.730 360.0 360.0 -66.7 -23.7 -2.7 12.0 22.2 325 332 A Q < 0 0 207 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.1 -0.210 360.0 360.0 71.1 360.0 0.9 10.8 21.4