==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-OCT-11 3U4U . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.A.LARSEN,J.DOWLING . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.3 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 . 38 11.6 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 . 0 0.0 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 . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 26.9 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 1 1 0 1 1 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 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 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 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 2 A S 0 0 169 0, 0.0 260,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.0 24.4 0.5 41.1 2 3 A G - 0 0 39 259,-0.1 260,-0.1 2,-0.0 0, 0.0 -0.247 360.0 -21.5 97.1 174.2 24.3 3.6 39.0 3 4 A P S S- 0 0 62 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.135 70.4-106.6 -55.4 146.5 21.5 5.5 37.1 4 5 A V - 0 0 64 256,-2.4 -2,-0.0 1,-0.1 256,-0.0 -0.594 43.8-111.3 -68.1 135.8 18.4 3.5 36.3 5 6 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.132 33.8-163.0 -63.7 163.8 18.3 2.8 32.5 6 7 A S - 0 0 5 202,-0.1 178,-0.6 254,-0.0 2,-0.3 -0.998 8.0-159.2-150.4 149.3 15.8 4.4 30.1 7 8 A R - 0 0 154 -2,-0.3 2,-0.2 176,-0.1 202,-0.1 -0.908 33.2 -99.2-122.8 154.5 14.4 3.9 26.6 8 9 A A - 0 0 1 -2,-0.3 4,-0.1 1,-0.1 301,-0.1 -0.563 24.3-144.3 -63.0 134.9 12.7 6.2 24.1 9 10 A R S S+ 0 0 123 -2,-0.2 2,-0.3 2,-0.1 3,-0.1 0.697 85.1 41.6 -68.7 -24.5 8.9 5.5 24.3 10 11 A V S S+ 0 0 45 1,-0.2 200,-0.2 2,-0.1 -2,-0.0 -0.887 121.0 4.5-126.8 154.7 8.8 6.1 20.5 11 12 A Y S > S+ 0 0 52 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 0.829 77.0 157.7 42.7 46.9 11.0 5.1 17.5 12 13 A T T 3 + 0 0 20 1,-0.2 3,-0.3 -3,-0.1 4,-0.1 0.945 68.4 25.6 -68.6 -46.3 13.0 3.1 19.9 13 14 A D T 3> S+ 0 0 61 1,-0.2 4,-1.9 2,-0.1 -1,-0.2 0.014 81.1 120.8-114.8 27.5 14.7 0.6 17.6 14 15 A V T <4 S+ 0 0 31 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.901 82.2 39.0 -67.9 -39.8 14.6 2.5 14.4 15 16 A N T >4 S+ 0 0 1 166,-0.4 3,-1.2 -3,-0.3 -1,-0.2 0.837 110.7 60.9 -75.3 -32.3 18.4 2.5 13.8 16 17 A T T 34 S+ 0 0 84 1,-0.3 -2,-0.2 -4,-0.1 -1,-0.2 0.869 104.7 48.2 -62.4 -38.5 18.7 -1.2 15.1 17 18 A H T 3< S+ 0 0 153 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.358 104.6 77.0 -85.9 2.7 16.5 -2.4 12.3 18 19 A R S < S- 0 0 81 -3,-1.2 5,-0.1 -5,-0.1 2,-0.0 -0.837 91.6 -95.2-107.2 158.0 18.4 -0.5 9.7 19 20 A P >> - 0 0 82 0, 0.0 3,-2.5 0, 0.0 4,-0.6 -0.306 36.3-109.5 -71.3 150.9 21.8 -1.3 8.1 20 21 A R H >> S+ 0 0 126 1,-0.3 4,-3.3 2,-0.2 3,-1.0 0.805 111.9 70.0 -49.7 -38.8 25.0 0.2 9.6 21 22 A E H 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.720 94.8 57.5 -53.2 -25.3 25.6 2.5 6.5 22 23 A Y H <4 S+ 0 0 31 -3,-2.5 -1,-0.2 -7,-0.1 -2,-0.2 0.890 126.1 13.8 -69.7 -42.3 22.5 4.5 7.7 23 24 A W H << S+ 0 0 73 -3,-1.0 2,-1.7 -4,-0.6 -2,-0.2 0.530 101.1 90.8-115.9 -12.4 23.9 5.4 11.2 24 25 A D >< + 0 0 27 -4,-3.3 3,-1.6 -5,-0.2 -1,-0.1 -0.529 49.2 169.3 -87.8 72.3 27.6 4.5 11.1 25 26 A Y G > + 0 0 17 -2,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.677 64.1 69.6 -63.6 -25.6 28.6 8.0 10.0 26 27 A E G 3 S+ 0 0 106 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.766 98.7 51.5 -61.9 -32.6 32.4 7.4 10.6 27 28 A S G < S+ 0 0 73 -3,-1.6 2,-0.4 2,-0.1 -1,-0.3 0.258 86.5 117.8 -84.3 8.9 32.4 5.0 7.6 28 29 A H < - 0 0 34 -3,-1.6 2,-0.7 -4,-0.1 50,-0.1 -0.676 59.4-144.9 -77.5 128.9 30.7 7.7 5.5 29 30 A V - 0 0 113 -2,-0.4 2,-0.5 49,-0.0 -2,-0.1 -0.877 13.6-151.0 -90.8 116.4 32.9 8.8 2.6 30 31 A V - 0 0 26 -2,-0.7 2,-0.6 2,-0.0 48,-0.0 -0.784 3.2-155.9 -93.0 126.9 32.4 12.5 1.9 31 32 A E - 0 0 163 -2,-0.5 2,-0.6 68,-0.0 68,-0.2 -0.895 8.4-152.8-102.2 119.3 32.9 13.9 -1.6 32 33 A W - 0 0 64 -2,-0.6 68,-0.3 66,-0.1 69,-0.1 -0.864 12.4-162.9 -97.3 115.1 33.8 17.5 -1.8 33 34 A G E -a 100 0A 35 66,-2.7 68,-2.0 -2,-0.6 2,-0.4 0.003 34.8 -71.6 -79.0-167.6 32.7 19.3 -4.9 34 35 A N E -a 101 0A 79 66,-0.2 3,-0.5 1,-0.1 68,-0.2 -0.748 27.8-156.9 -92.7 135.8 33.9 22.6 -6.3 35 36 A Q S > S+ 0 0 15 66,-1.4 3,-3.5 -2,-0.4 67,-0.1 0.519 74.6 95.9 -87.3 -10.5 32.9 25.9 -4.5 36 37 A D T 3 S+ 0 0 100 1,-0.3 -1,-0.2 65,-0.3 22,-0.1 0.799 72.0 71.1 -53.0 -26.5 33.5 28.0 -7.7 37 38 A D T 3 S+ 0 0 65 -3,-0.5 21,-1.3 20,-0.1 22,-0.6 0.682 97.5 60.0 -61.0 -17.1 29.7 27.6 -8.3 38 39 A Y E < -B 57 0A 24 -3,-3.5 2,-0.5 19,-0.3 19,-0.2 -0.936 66.4-156.4-123.2 138.3 29.2 30.0 -5.3 39 40 A Q E -B 56 0A 115 17,-2.3 17,-0.6 -2,-0.4 2,-0.1 -0.934 23.8-125.5-114.4 117.8 30.2 33.6 -4.7 40 41 A L E +B 55 0A 75 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.363 34.2 168.6 -59.5 129.5 30.5 34.9 -1.1 41 42 A V E + 0 0 67 13,-2.9 2,-0.3 1,-0.3 14,-0.2 0.742 56.4 0.3-116.8 -35.0 28.4 38.1 -0.6 42 43 A R E -B 54 0A 139 12,-1.4 12,-2.1 3,-0.0 2,-0.4 -0.941 61.6-116.8-162.4 132.8 28.2 38.9 3.2 43 44 A K E +B 53 0A 121 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.612 29.3 179.2 -66.4 122.6 29.4 37.6 6.5 44 45 A L E - 0 0 95 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.786 57.2 -59.0 -91.5 -41.6 26.3 36.6 8.4 45 46 A G E -B 52 0A 29 7,-1.5 7,-3.2 -3,-0.1 2,-0.5 -0.982 43.9 -90.3 174.0-173.6 28.1 35.4 11.5 46 47 A R - 0 0 165 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.733 41.8-163.0-129.1 72.3 30.6 33.2 13.1 47 48 A G > - 0 0 27 -2,-0.5 3,-1.0 2,-0.1 -2,-0.0 0.073 41.8 -84.7 -47.3 169.0 28.8 30.1 14.3 48 49 A K T 3 S+ 0 0 160 1,-0.3 -1,-0.0 3,-0.0 -2,-0.0 0.919 122.8 13.1 -52.8 -57.8 30.5 27.9 16.8 49 50 A Y T 3 S+ 0 0 92 21,-0.1 21,-2.8 20,-0.0 2,-0.3 0.080 129.4 39.2-108.5 24.0 32.7 25.7 14.5 50 51 A S E < - C 0 69A 2 -3,-1.0 2,-0.4 19,-0.3 19,-0.2 -0.972 68.7-119.4-157.3 166.2 32.3 27.8 11.4 51 52 A E E - C 0 68A 67 17,-2.1 17,-3.0 -2,-0.3 2,-0.4 -0.974 35.6-148.8-112.3 140.2 32.0 31.1 9.6 52 53 A V E -BC 45 67A 28 -7,-3.2 -8,-2.9 -2,-0.4 -7,-1.5 -0.907 15.9-178.1-121.6 134.9 28.7 31.6 7.8 53 54 A F E -BC 43 66A 31 13,-2.7 13,-2.6 -2,-0.4 2,-0.5 -0.928 32.0-125.1-131.2 145.3 28.1 33.6 4.6 54 55 A E E +BC 42 65A 24 -12,-2.1 -13,-2.9 -2,-0.3 -12,-1.4 -0.816 48.1 175.6 -76.8 127.3 25.2 34.6 2.3 55 56 A A E -BC 40 64A 0 9,-2.5 9,-1.8 -2,-0.5 2,-0.4 -0.716 26.2-127.5-129.5-175.4 26.4 33.4 -1.1 56 57 A I E -BC 39 63A 29 -17,-0.6 -17,-2.3 -2,-0.2 2,-1.6 -0.999 19.5-124.7-143.7 126.2 25.1 33.1 -4.6 57 58 A N E >> -B 38 0A 23 5,-2.2 4,-4.0 -2,-0.4 3,-1.3 -0.551 23.5-155.7 -76.6 87.4 25.0 30.1 -7.0 58 59 A I T 34 S+ 0 0 89 -2,-1.6 -1,-0.2 -21,-1.3 -20,-0.1 0.652 87.8 53.6 -34.4 -32.2 27.0 31.6 -9.9 59 60 A T T 34 S+ 0 0 110 -22,-0.6 -1,-0.3 1,-0.1 -21,-0.1 0.904 129.9 10.4 -79.0 -47.9 25.2 29.1 -12.3 60 61 A N T <4 S- 0 0 99 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.499 91.9-131.7-108.1 -9.8 21.5 29.8 -11.5 61 62 A N < + 0 0 117 -4,-4.0 2,-0.2 1,-0.2 -3,-0.2 0.615 54.0 150.3 68.6 14.8 22.0 32.9 -9.4 62 63 A E - 0 0 132 -5,-0.5 -5,-2.2 1,-0.1 -1,-0.2 -0.554 52.4-101.7 -80.8 145.2 19.7 31.5 -6.7 63 64 A K E +C 56 0A 85 -2,-0.2 51,-0.8 -7,-0.2 2,-0.3 -0.332 46.7 173.4 -74.5 147.1 20.5 32.5 -3.1 64 65 A V E -CD 55 113A 11 -9,-1.8 -9,-2.5 49,-0.2 2,-0.5 -0.941 29.7-127.8-148.9 157.1 22.4 30.1 -0.7 65 66 A V E -CD 54 112A 29 47,-2.4 47,-2.8 -2,-0.3 2,-0.5 -0.978 22.6-159.9-116.4 127.5 24.0 29.9 2.8 66 67 A V E -CD 53 111A 0 -13,-2.6 -13,-2.7 -2,-0.5 2,-0.7 -0.898 5.2-163.5-112.5 124.1 27.6 28.7 3.1 67 68 A K E -CD 52 110A 15 43,-3.0 43,-2.5 -2,-0.5 2,-0.6 -0.937 10.0-157.6-109.6 104.9 29.0 27.3 6.3 68 69 A I E -CD 51 109A 31 -17,-3.0 -17,-2.1 -2,-0.7 2,-0.4 -0.768 18.9-131.1 -86.6 119.5 32.7 27.3 6.1 69 70 A L E -C 50 0A 6 39,-2.4 -19,-0.3 -2,-0.6 3,-0.1 -0.568 7.1-142.1 -79.7 125.9 34.0 24.8 8.6 70 71 A K - 0 0 56 -21,-2.8 2,-0.5 -2,-0.4 -21,-0.1 -0.311 60.1 -65.6 -57.4 163.8 36.8 25.8 10.9 71 72 A P S S+ 0 0 140 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.483 77.3 171.0 -58.3 113.5 39.1 22.8 11.4 72 73 A V - 0 0 37 -2,-0.5 -3,-0.0 -3,-0.1 5,-0.0 -0.881 44.0 -75.1-123.8 158.4 36.8 20.3 13.1 73 74 A K >> - 0 0 109 -2,-0.3 4,-1.9 1,-0.2 3,-0.6 -0.296 39.5-133.4 -45.1 123.6 37.1 16.7 14.0 74 75 A K H 3> S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 105.6 61.1 -51.7 -40.2 36.6 14.7 10.8 75 76 A K H 3> S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 104.0 45.5 -56.5 -47.0 34.2 12.6 12.8 76 77 A K H <> S+ 0 0 18 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.877 110.8 54.3 -67.3 -38.3 31.7 15.4 13.7 77 78 A I H X S+ 0 0 14 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.950 109.1 47.4 -60.2 -48.3 31.8 16.7 10.1 78 79 A K H X S+ 0 0 49 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.885 110.3 54.3 -61.2 -40.5 30.8 13.3 8.8 79 80 A R H X S+ 0 0 26 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.952 110.2 44.3 -56.3 -54.6 28.0 13.1 11.4 80 81 A E H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.950 117.4 46.0 -58.9 -50.0 26.4 16.4 10.4 81 82 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.927 113.6 48.0 -56.5 -50.7 26.7 15.6 6.7 82 83 A K H X S+ 0 0 26 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.897 113.7 47.8 -62.5 -37.5 25.4 12.0 7.2 83 84 A I H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.916 111.9 49.9 -66.7 -41.8 22.5 13.3 9.3 84 85 A L H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 12,-0.4 0.816 112.2 47.5 -65.6 -36.8 21.7 16.1 6.7 85 86 A E H < S+ 0 0 52 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.903 110.9 50.3 -74.2 -44.8 21.7 13.6 3.8 86 87 A N H < S+ 0 0 29 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.796 118.4 38.9 -59.2 -33.4 19.5 11.1 5.7 87 88 A L H >< S+ 0 0 0 -4,-1.6 3,-2.3 -5,-0.1 -1,-0.2 0.490 85.6 129.8 -96.7 -7.1 16.9 13.8 6.6 88 89 A R T 3< S+ 0 0 112 -4,-0.7 7,-0.1 -3,-0.5 6,-0.1 -0.232 74.0 19.5 -55.2 133.4 17.1 15.7 3.2 89 90 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.263 94.5 133.2 91.3 -9.1 13.7 16.4 1.7 90 91 A G S X S- 0 0 9 -3,-2.3 3,-1.7 1,-0.2 -1,-0.3 -0.234 71.2 -71.7 -74.5 163.6 11.9 15.9 5.0 91 92 A P T 3 S- 0 0 52 0, 0.0 55,-0.2 0, 0.0 -1,-0.2 -0.381 111.7 -13.6 -65.2 117.8 9.3 18.3 6.3 92 93 A N T 3 S+ 0 0 15 -2,-0.3 80,-2.9 1,-0.3 2,-0.5 0.637 97.9 138.3 68.9 16.0 10.8 21.6 7.3 93 94 A I B < -f 172 0B 3 -3,-1.7 -4,-0.3 78,-0.2 -1,-0.3 -0.801 60.8-111.1 -90.4 132.6 14.3 20.2 7.3 94 95 A I - 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0 0 99 -5,-1.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.899 52.5-138.0-147.1 108.0 9.8 36.4 28.0 229 230 A E S S+ 0 0 75 -2,-0.3 2,-0.1 1,-0.1 -9,-0.1 -0.965 88.4 15.3-125.6 116.4 13.0 35.6 26.2 230 231 A P S S- 0 0 20 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.735 78.6-159.3 -74.6 163.3 14.6 33.4 27.3 231 232 A F S S+ 0 0 6 -12,-0.3 2,-0.7 1,-0.3 -2,-0.1 0.953 88.1 38.5 -72.8 -51.8 12.0 31.8 29.7 232 233 A F S S- 0 0 4 -37,-0.3 2,-0.8 -4,-0.1 -1,-0.3 -0.886 78.5-174.7 -97.7 106.4 14.5 30.0 31.9 233 234 A H + 0 0 116 -2,-0.7 2,-0.1 -3,-0.2 -38,-0.0 -0.578 9.3 173.6-110.4 71.9 17.5 32.6 32.2 234 235 A G - 0 0 1 -2,-0.8 6,-0.2 1,-0.1 3,-0.1 -0.447 35.8-138.9 -83.1 150.5 20.3 30.9 34.2 235 236 A H S S- 0 0 128 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.614 85.3 -13.8 -83.0 -9.8 23.7 32.4 34.7 236 237 A D S > S- 0 0 48 -42,-0.1 4,-2.2 1,-0.0 5,-0.1 -0.920 89.0 -74.2-165.5-176.2 25.4 28.9 34.1 237 238 A N H > S+ 0 0 73 -2,-0.3 4,-1.2 2,-0.2 -35,-0.0 0.865 127.9 46.1 -58.3 -40.7 24.4 25.2 33.9 238 239 A Y H >> S+ 0 0 74 2,-0.2 4,-1.0 1,-0.2 3,-0.7 0.976 116.4 43.8 -64.4 -53.6 23.9 24.8 37.7 239 240 A D H 3> S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.773 103.6 66.7 -65.3 -29.1 21.9 28.0 38.0 240 241 A Q H 3X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.924 101.8 48.2 -52.4 -47.0 19.9 27.0 34.9 241 242 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 3,-2.2 0.949 111.4 52.0 -65.3 -48.1 13.8 25.6 36.2 245 246 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.3 -2,-0.2 0.834 99.2 63.1 -63.7 -33.3 13.2 24.5 39.9 246 247 A K H 3< S+ 0 0 70 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.589 117.7 30.7 -61.4 -13.8 11.8 28.0 40.9 247 248 A V H <4 S+ 0 0 12 -3,-2.2 31,-2.3 -4,-0.2 -2,-0.2 0.732 129.3 33.9-108.3 -56.2 9.0 27.2 38.3 248 249 A L H < S- 0 0 3 -4,-2.9 4,-0.4 29,-0.2 29,-0.2 0.647 111.5-123.1 -75.8 -9.1 8.5 23.4 38.3 249 250 A G < - 0 0 2 -4,-2.0 4,-0.5 -5,-0.4 27,-0.2 0.106 11.8 -96.6 81.3 160.3 9.3 23.2 42.1 250 251 A T S > S+ 0 0 12 25,-2.7 4,-2.5 1,-0.2 5,-0.2 0.783 111.0 66.5 -86.5 -28.2 11.9 21.2 44.0 251 252 A E H > S+ 0 0 148 24,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.902 102.8 45.5 -63.4 -45.7 9.8 18.3 45.0 252 253 A D H > S+ 0 0 74 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.727 111.9 55.0 -71.1 -21.9 9.3 16.9 41.5 253 254 A L H > S+ 0 0 0 -4,-0.5 4,-3.1 2,-0.2 -2,-0.2 0.957 110.1 43.0 -69.3 -54.5 13.0 17.4 40.9 254 255 A Y H X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.887 114.1 52.0 -63.4 -34.7 14.1 15.3 43.8 255 256 A D H X S+ 0 0 88 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.880 111.2 47.9 -67.6 -37.4 11.4 12.7 42.9 256 257 A Y H X S+ 0 0 6 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.932 112.2 49.7 -63.6 -46.2 12.8 12.6 39.4 257 258 A I H <>S+ 0 0 16 -4,-3.1 5,-2.9 2,-0.2 -2,-0.2 0.897 114.9 42.7 -61.0 -43.2 16.4 12.3 40.7 258 259 A D H ><5S+ 0 0 124 -4,-2.4 3,-2.1 3,-0.2 -2,-0.2 0.941 109.3 57.9 -69.2 -46.4 15.5 9.4 43.1 259 260 A K H 3<5S+ 0 0 98 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.905 116.4 34.8 -51.5 -45.7 13.3 7.6 40.5 260 261 A Y T 3<5S- 0 0 3 -4,-2.0 -256,-2.4 -5,-0.1 -1,-0.3 0.349 108.0-124.6 -90.5 7.6 16.3 7.4 38.1 261 262 A N T < 5 + 0 0 91 -3,-2.1 2,-0.3 -258,-0.2 -3,-0.2 0.887 46.0 178.6 47.6 44.6 18.8 7.0 41.0 262 263 A I < - 0 0 16 -5,-2.9 2,-1.0 -6,-0.2 -1,-0.2 -0.606 30.7-129.4 -80.1 133.1 20.8 10.0 39.7 263 264 A E - 0 0 176 -2,-0.3 2,-0.4 -59,-0.1 -1,-0.1 -0.714 25.5-144.2 -83.3 105.5 23.9 11.1 41.6 264 265 A L - 0 0 24 -2,-1.0 5,-0.1 1,-0.1 -61,-0.1 -0.583 17.6-116.7 -74.9 123.0 23.3 14.8 42.2 265 266 A D > - 0 0 70 -2,-0.4 3,-1.8 1,-0.1 4,-0.4 -0.309 25.1-121.5 -49.9 132.1 26.6 16.9 42.1 266 267 A P T >> S+ 0 0 103 0, 0.0 3,-0.8 0, 0.0 4,-0.8 0.722 105.8 74.6 -53.4 -25.8 27.1 18.4 45.5 267 268 A R H 3> S+ 0 0 99 1,-0.2 4,-1.1 2,-0.1 3,-0.3 0.864 92.1 60.1 -55.2 -31.5 27.2 22.0 44.1 268 269 A F H <> S+ 0 0 4 -3,-1.8 4,-2.4 1,-0.2 5,-0.3 0.803 89.9 63.5 -68.6 -32.8 23.4 21.6 43.7 269 270 A N H <> S+ 0 0 94 -3,-0.8 4,-0.6 -4,-0.4 -1,-0.2 0.872 105.5 46.4 -69.7 -29.0 22.4 21.0 47.3 270 271 A D H < S+ 0 0 148 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.889 122.4 33.3 -70.5 -40.3 23.6 24.5 48.4 271 272 A I H < S+ 0 0 40 -4,-1.1 -2,-0.2 1,-0.1 -1,-0.1 0.724 102.7 70.6 -95.9 -23.5 21.9 26.4 45.5 272 273 A L H < + 0 0 0 -4,-2.4 -1,-0.1 1,-0.2 -3,-0.1 0.902 69.9 169.9 -66.7 -44.0 18.7 24.5 44.7 273 274 A G < - 0 0 41 -4,-0.6 2,-0.4 -5,-0.3 -1,-0.2 -0.402 45.7 -56.1 71.4-140.8 16.9 25.5 47.9 274 275 A R + 0 0 222 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.982 58.9 169.2-146.3 119.6 13.2 24.8 48.3 275 276 A H - 0 0 46 -2,-0.4 -25,-2.7 -30,-0.1 -24,-0.6 -0.999 26.2-131.1-143.5 139.0 10.6 25.9 45.8 276 277 A S - 0 0 82 -2,-0.4 2,-0.6 -27,-0.2 -27,-0.4 -0.493 38.6 -94.3 -83.6 159.1 6.9 25.2 45.3 277 278 A R - 0 0 104 -29,-0.2 2,-0.2 -2,-0.2 -29,-0.2 -0.671 44.4-142.3 -72.6 114.5 5.5 24.3 41.9 278 279 A K - 0 0 36 -31,-2.3 2,-0.2 -2,-0.6 -31,-0.0 -0.557 13.6-116.3 -81.6 142.9 4.2 27.6 40.3 279 280 A R > - 0 0 179 -2,-0.2 3,-1.2 1,-0.1 4,-0.3 -0.488 19.0-127.1 -72.2 142.4 0.9 27.7 38.3 280 281 A W G > S+ 0 0 14 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.770 107.1 69.1 -66.6 -18.3 1.4 28.7 34.6 281 282 A E G > S+ 0 0 94 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.830 82.1 73.1 -67.1 -33.0 -1.3 31.4 35.1 282 283 A R G < S+ 0 0 173 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.709 97.2 50.4 -48.7 -27.5 1.2 33.3 37.3 283 284 A F G < S+ 0 0 36 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.3 0.569 89.9 99.4 -91.1 -10.0 3.1 34.2 34.1 284 285 A V < + 0 0 47 -3,-2.1 2,-0.3 -4,-0.3 -58,-0.1 -0.580 46.7 155.4 -84.0 134.2 -0.1 35.5 32.2 285 286 A H >> - 0 0 95 -2,-0.3 3,-1.9 -59,-0.0 4,-1.5 -0.920 57.2 -80.1-148.9 174.4 -0.6 39.2 32.0 286 287 A S T 34 S+ 0 0 84 -2,-0.3 4,-0.3 1,-0.3 3,-0.1 0.785 122.0 54.7 -48.7 -37.6 -2.3 42.0 30.0 287 288 A E T 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.547 123.5 23.0 -78.7 -8.1 0.5 42.1 27.4 288 289 A N T X4 S+ 0 0 0 -3,-1.9 3,-1.9 2,-0.1 4,-0.4 0.322 86.5 104.3-136.8 4.1 0.3 38.3 26.5 289 290 A Q G >< S+ 0 0 108 -4,-1.5 3,-1.5 1,-0.3 -3,-0.1 0.867 77.1 64.4 -54.6 -40.5 -3.1 37.1 27.5 290 291 A H G 3 S+ 0 0 75 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.623 103.1 47.4 -58.7 -17.3 -4.1 37.1 23.9 291 292 A L G < S+ 0 0 0 -3,-1.9 2,-0.4 -66,-0.3 -1,-0.2 0.361 100.0 81.6-104.0 -0.4 -1.6 34.3 23.2 292 293 A V < + 0 0 25 -3,-1.5 3,-0.1 -4,-0.4 -163,-0.1 -0.823 49.5 160.4-110.3 142.5 -2.6 32.1 26.1 293 294 A S > - 0 0 14 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.898 55.3 -98.7-146.1 168.4 -5.5 29.7 26.2 294 295 A P H > S+ 0 0 107 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.896 126.9 50.0 -55.4 -42.2 -6.4 26.7 28.4 295 296 A E H > S+ 0 0 67 2,-0.2 4,-3.1 1,-0.2 27,-0.3 0.962 106.5 53.4 -61.4 -54.3 -5.0 24.5 25.6 296 297 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.910 112.6 46.4 -42.0 -50.0 -1.7 26.5 25.3 297 298 A L H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.860 112.6 47.7 -68.8 -39.3 -1.1 26.0 29.0 298 299 A D H X S+ 0 0 64 -4,-1.8 4,-1.3 -3,-0.2 -1,-0.2 0.913 113.4 48.2 -68.1 -45.0 -2.0 22.3 29.0 299 300 A F H >X S+ 0 0 0 -4,-3.1 3,-1.0 2,-0.2 4,-0.6 0.981 113.4 47.7 -55.5 -57.4 0.3 21.7 26.0 300 301 A L H >X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 3,-1.6 0.900 108.2 55.9 -44.7 -51.4 3.2 23.7 27.7 301 302 A D H 3< S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.7 50.8 -56.1 -32.3 2.6 21.8 31.0 302 303 A K H << S+ 0 0 52 -4,-1.3 10,-2.1 -3,-1.0 -1,-0.3 0.478 114.0 45.7 -92.1 -3.7 3.1 18.4 29.2 303 304 A L H << S+ 0 0 0 -3,-1.6 2,-1.8 -4,-0.6 -2,-0.2 0.816 103.1 59.9 -94.3 -51.4 6.3 19.6 27.6 304 305 A L S < S+ 0 0 1 -4,-2.4 2,-0.4 -86,-0.1 -1,-0.2 -0.568 74.6 129.2 -83.1 75.3 8.1 21.2 30.5 305 306 A R - 0 0 87 -2,-1.8 6,-0.1 -3,-0.2 -3,-0.0 -0.985 60.1-133.8-124.6 143.4 8.4 18.2 32.9 306 307 A Y S S+ 0 0 7 -2,-0.4 2,-0.6 1,-0.1 -106,-0.2 0.969 92.7 74.8 -52.7 -52.8 11.5 16.9 34.6 307 308 A D S > S- 0 0 32 1,-0.2 3,-1.0 -3,-0.1 4,-0.4 -0.497 70.4-159.6 -75.9 109.3 10.8 13.3 33.7 308 309 A H G > S+ 0 0 2 -2,-0.6 3,-0.8 1,-0.3 -1,-0.2 0.783 88.4 59.4 -62.4 -29.6 11.6 13.0 30.0 309 310 A Q G 3 S+ 0 0 61 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.746 102.7 55.3 -68.9 -28.6 9.5 9.8 29.6 310 311 A S G < S+ 0 0 42 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.463 86.3 100.5 -83.3 -8.0 6.4 11.8 30.7 311 312 A R S < S- 0 0 2 -3,-0.8 -8,-0.2 -4,-0.4 -9,-0.1 -0.427 86.5 -94.3 -72.8 154.8 6.8 14.6 28.1 312 313 A L - 0 0 21 -10,-2.1 2,-0.1 -13,-0.2 -1,-0.1 -0.427 37.2-128.1 -60.1 145.3 4.6 14.6 25.0 313 314 A T > - 0 0 19 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.420 31.0-102.8 -79.8 171.8 6.3 12.9 22.0 314 315 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -170,-0.2 0.870 123.9 48.6 -72.7 -31.2 6.2 15.0 18.8 315 316 A R H > S+ 0 0 117 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.970 111.5 48.2 -66.0 -54.2 3.4 13.0 17.4 316 317 A E H >4 S+ 0 0 66 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.922 111.4 53.2 -49.3 -42.0 1.3 13.2 20.6 317 318 A A H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 6,-0.3 0.914 101.9 56.1 -61.6 -42.8 2.0 16.9 20.5 318 319 A M H 3< S+ 0 0 24 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.687 107.4 52.2 -67.0 -17.7 0.7 17.4 16.9 319 320 A E T << S+ 0 0 127 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.317 83.4 121.5 -95.2 6.7 -2.6 15.8 18.1 320 321 A H S X S- 0 0 14 -3,-2.2 3,-1.9 -4,-0.1 4,-0.3 -0.433 75.8-118.3 -75.0 142.5 -3.0 18.3 21.1 321 322 A P G > S+ 0 0 65 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.751 109.6 75.5 -49.2 -24.7 -6.2 20.4 21.2 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.2 -26,-0.1 0.879 96.8 46.8 -52.1 -40.7 -3.8 23.5 21.0 323 324 A F G X> S+ 0 0 0 -3,-1.9 4,-2.6 -6,-0.3 3,-2.1 0.463 79.2 101.9 -86.7 -1.4 -3.3 22.8 17.2 324 325 A Y T <4 S+ 0 0 165 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.778 78.4 55.9 -53.2 -31.1 -7.0 22.2 16.2 325 326 A T T 34 S+ 0 0 89 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.586 119.3 32.4 -79.8 -9.9 -7.3 25.7 14.6 326 327 A V T <4 0 0 28 -3,-2.1 -2,-0.2 -193,-0.1 -1,-0.1 0.773 360.0 360.0-109.0 -47.8 -4.3 25.0 12.4 327 328 A V < 0 0 110 -4,-2.6 -193,-0.0 -9,-0.1 -8,-0.0 0.039 360.0 360.0 -43.9 360.0 -4.3 21.2 11.5