==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUN-03 1PJK . COMPND 2 MOLECULE: CASEIN KINASE II, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.ERMAKOVA,B.BOLDYREFF,O.-G.ISSINGER,K.NIEFIND . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 63.4 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 11.8 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 . 29 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 25.7 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 0 0 0 1 1 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 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 1 2 0 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 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 2 A S 0 0 147 0, 0.0 262,-0.1 0, 0.0 260,-0.0 0.000 360.0 360.0 360.0 100.8 -9.3 -83.3 -27.3 2 3 A G - 0 0 52 260,-0.1 260,-0.1 1,-0.0 0, 0.0 -0.946 360.0 -85.3-116.6 148.5 -6.3 -82.7 -29.5 3 4 A P - 0 0 84 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.168 40.5-114.5 -52.1 140.8 -6.6 -80.2 -32.3 4 5 A V - 0 0 52 256,-1.7 256,-0.0 1,-0.1 255,-0.0 -0.520 39.7-114.7 -66.4 142.9 -8.0 -81.2 -35.7 5 6 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.194 28.6-156.3 -79.6 176.3 -5.4 -81.0 -38.5 6 7 A S - 0 0 5 202,-0.1 178,-0.6 254,-0.0 2,-0.3 -0.996 8.3-158.2-154.7 145.1 -5.3 -78.7 -41.5 7 8 A R - 0 0 118 -2,-0.3 2,-0.2 176,-0.1 202,-0.1 -0.875 34.8-100.8-118.0 155.7 -3.8 -78.5 -45.0 8 9 A A - 0 0 4 -2,-0.3 4,-0.2 1,-0.1 301,-0.1 -0.542 24.5-139.0 -65.7 140.0 -3.2 -75.5 -47.3 9 10 A R S S+ 0 0 181 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.663 87.6 35.2 -73.3 -20.3 -5.9 -75.1 -49.9 10 11 A V S S+ 0 0 53 1,-0.1 200,-0.2 2,-0.1 -1,-0.1 -0.962 119.5 12.2-134.9 153.4 -3.2 -74.3 -52.4 11 12 A Y S > S+ 0 0 65 -2,-0.3 3,-0.8 1,-0.1 4,-0.3 0.797 74.5 151.7 55.6 35.6 0.4 -75.2 -53.1 12 13 A T T 3 + 0 0 29 1,-0.2 3,-0.2 -4,-0.2 -4,-0.1 0.883 69.5 28.5 -67.4 -42.4 -0.0 -78.1 -50.7 13 14 A D T 3> S+ 0 0 87 1,-0.2 4,-1.1 169,-0.1 3,-0.3 -0.082 79.8 118.0-113.8 31.6 2.5 -80.6 -52.2 14 15 A V H X> S+ 0 0 30 -3,-0.8 3,-0.8 1,-0.2 4,-0.5 0.978 84.8 39.1 -59.9 -54.3 5.1 -78.2 -53.8 15 16 A N H 34 S+ 0 0 2 166,-0.4 -1,-0.2 -4,-0.3 8,-0.2 0.493 107.5 65.7 -77.5 -4.6 8.0 -79.4 -51.6 16 17 A T H 34 S+ 0 0 80 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.751 110.6 35.0 -84.1 -27.8 6.8 -83.0 -51.7 17 18 A H H << S+ 0 0 162 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.1 0.334 103.5 86.4-108.9 2.6 7.5 -83.2 -55.5 18 19 A R S < S- 0 0 107 -4,-0.5 5,-0.0 1,-0.2 -3,-0.0 -0.598 93.8 -88.5 -87.3 163.0 10.6 -80.9 -55.5 19 20 A P >> - 0 0 68 0, 0.0 4,-0.8 0, 0.0 3,-0.6 -0.183 32.5-111.8 -67.0 166.6 14.0 -82.5 -54.7 20 21 A R H 3> S+ 0 0 163 1,-0.2 4,-2.8 2,-0.2 3,-0.4 0.884 116.3 61.3 -63.7 -40.3 15.3 -82.9 -51.2 21 22 A E H 34 S+ 0 0 145 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.670 95.9 63.6 -66.0 -16.9 18.1 -80.3 -51.9 22 23 A Y H <4 S+ 0 0 15 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.955 120.4 15.3 -66.2 -52.2 15.4 -77.7 -52.6 23 24 A W H < S+ 0 0 69 -4,-0.8 2,-1.8 -3,-0.4 -2,-0.2 0.726 100.8 90.3-101.9 -27.1 13.9 -77.6 -49.1 24 25 A D >< + 0 0 18 -4,-2.8 3,-0.5 1,-0.2 -1,-0.1 -0.541 46.7 171.5 -76.5 84.1 16.4 -79.4 -46.8 25 26 A Y G > + 0 0 18 -2,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.584 67.5 70.8 -71.1 -13.6 18.4 -76.3 -45.8 26 27 A E G 3 S+ 0 0 108 1,-0.2 2,-0.8 -3,-0.1 -1,-0.2 0.930 98.0 47.5 -66.4 -47.0 20.4 -78.2 -43.2 27 28 A S G < S+ 0 0 93 -3,-0.5 2,-0.4 2,-0.1 -1,-0.2 -0.265 90.2 122.3 -91.6 47.7 22.3 -80.2 -45.8 28 29 A H < - 0 0 29 -2,-0.8 2,-0.4 -3,-0.7 -3,-0.0 -0.917 53.5-142.2-119.5 132.2 23.2 -77.1 -47.9 29 30 A V - 0 0 125 -2,-0.4 2,-0.6 49,-0.0 -2,-0.1 -0.785 14.1-137.9 -93.7 136.2 26.7 -75.8 -48.8 30 31 A V - 0 0 21 -2,-0.4 2,-1.0 1,-0.0 48,-0.0 -0.841 7.1-147.4 -93.6 123.2 27.4 -72.1 -48.8 31 32 A E - 0 0 168 -2,-0.6 68,-0.3 69,-0.0 -2,-0.0 -0.799 25.5-149.9 -90.7 101.0 29.5 -70.8 -51.7 32 33 A W - 0 0 109 -2,-1.0 2,-0.2 66,-0.1 68,-0.2 -0.136 8.6-151.3 -69.6 165.1 31.4 -68.0 -50.1 33 34 A G - 0 0 27 66,-1.3 2,-0.5 0, 0.0 68,-0.4 -0.776 34.9 -71.2-129.7 173.0 32.6 -64.9 -51.9 34 35 A N > - 0 0 73 -2,-0.2 3,-0.8 1,-0.2 4,-0.1 -0.573 33.7-165.5 -69.5 115.4 35.4 -62.4 -51.6 35 36 A Q G > S+ 0 0 63 -2,-0.5 3,-1.3 1,-0.2 -1,-0.2 0.702 85.8 69.5 -72.8 -20.8 34.9 -60.2 -48.5 36 37 A D G 3 S+ 0 0 107 1,-0.3 -1,-0.2 3,-0.0 22,-0.1 0.665 84.0 72.0 -72.1 -16.7 37.5 -57.7 -49.8 37 38 A D G < S+ 0 0 37 -3,-0.8 21,-3.5 20,-0.1 22,-0.5 0.653 93.0 67.2 -66.2 -18.9 35.0 -56.8 -52.6 38 39 A Y E < -A 57 0A 31 -3,-1.3 2,-0.4 19,-0.2 19,-0.2 -0.894 59.4-171.1-116.8 139.2 32.9 -55.0 -50.1 39 40 A Q E -A 56 0A 102 17,-1.7 17,-1.7 -2,-0.4 2,-0.1 -0.985 23.3-131.6-129.7 117.4 33.7 -51.8 -48.1 40 41 A L E +A 55 0A 74 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.417 29.2 169.5 -73.6 142.4 31.3 -50.8 -45.3 41 42 A V E + 0 0 75 13,-2.4 2,-0.3 1,-0.4 14,-0.2 0.710 58.1 3.8-117.1 -40.8 30.2 -47.1 -45.3 42 43 A R E -A 54 0A 134 12,-1.6 12,-2.7 0, 0.0 2,-0.5 -0.996 60.5-119.8-160.3 136.2 27.4 -46.7 -42.8 43 44 A K E -A 53 0A 112 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.747 24.6-179.8 -80.2 126.2 25.4 -48.5 -40.2 44 45 A L E - 0 0 84 8,-3.0 2,-0.3 -2,-0.5 9,-0.2 0.727 59.4 -29.8 -94.5 -29.8 21.7 -48.5 -41.1 45 46 A G E -A 52 0A 31 7,-1.5 7,-2.1 2,-0.0 2,-0.4 -0.937 44.1-122.4 178.1 157.4 20.5 -50.4 -38.0 46 47 A R E +A 51 0A 206 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.948 29.1 178.4-113.5 130.9 20.8 -53.0 -35.2 47 48 A G - 0 0 37 3,-3.0 -2,-0.0 -2,-0.4 5,-0.0 -0.602 44.4-107.9-113.1 178.8 18.5 -56.0 -34.8 48 49 A K S S+ 0 0 178 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.786 122.2 36.0 -71.4 -28.7 18.2 -58.8 -32.4 49 50 A Y S S- 0 0 101 1,-0.2 21,-1.6 20,-0.1 2,-0.3 0.428 127.0 -8.5-108.4 0.2 19.4 -61.1 -35.2 50 51 A S E - B 0 69A 13 19,-0.3 -3,-3.0 21,-0.0 2,-0.3 -0.965 55.1-114.2 179.7 157.8 21.9 -59.0 -37.2 51 52 A E E -AB 46 68A 53 17,-2.3 17,-2.1 -2,-0.3 2,-0.4 -0.845 32.7-148.0-103.5 156.0 23.6 -55.6 -37.8 52 53 A V E -AB 45 67A 36 -7,-2.1 -8,-3.0 -2,-0.3 -7,-1.5 -0.986 14.2-173.7-135.5 125.2 22.9 -53.9 -41.2 53 54 A F E -AB 43 66A 27 13,-2.8 13,-3.1 -2,-0.4 2,-0.3 -0.913 26.2-132.0-122.7 139.8 25.3 -51.7 -43.2 54 55 A E E +AB 42 65A 20 -12,-2.7 -13,-2.4 -2,-0.4 -12,-1.6 -0.686 47.0 166.5 -72.8 142.6 25.1 -49.6 -46.3 55 56 A A E -AB 40 64A 0 9,-2.3 9,-2.2 -2,-0.3 2,-0.4 -0.914 33.4-118.7-155.4 177.1 28.2 -50.6 -48.3 56 57 A I E -AB 39 63A 22 -17,-1.7 -17,-1.7 -2,-0.3 2,-0.7 -0.994 17.8-132.3-135.7 123.5 29.9 -50.4 -51.7 57 58 A N E >> -A 38 0A 19 5,-2.5 4,-1.2 -2,-0.4 3,-0.7 -0.715 19.3-161.7 -72.1 114.4 31.0 -53.2 -54.1 58 59 A I T 34 S+ 0 0 95 -21,-3.5 -1,-0.2 -2,-0.7 -20,-0.1 0.664 82.3 65.9 -77.1 -18.8 34.5 -52.2 -54.9 59 60 A T T 34 S+ 0 0 98 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.702 127.1 3.7 -76.7 -24.9 34.6 -54.4 -58.0 60 61 A N T <4 S- 0 0 86 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.1 0.222 96.0-114.0-145.6 17.0 32.0 -52.3 -59.9 61 62 A N < + 0 0 126 -4,-1.2 -3,-0.2 1,-0.2 2,-0.0 0.520 60.9 154.4 56.7 11.7 31.2 -49.3 -57.6 62 63 A E - 0 0 121 -5,-0.3 -5,-2.5 -6,-0.1 2,-0.2 -0.333 47.1-118.4 -63.4 144.1 27.5 -50.5 -57.0 63 64 A K E +B 56 0A 96 -7,-0.2 51,-0.5 51,-0.1 2,-0.3 -0.592 44.6 174.4 -78.8 154.4 25.8 -49.4 -53.8 64 65 A V E -BC 55 113A 7 -9,-2.2 -9,-2.3 -2,-0.2 2,-0.4 -0.939 30.7-124.4-158.6 161.9 24.9 -52.4 -51.7 65 66 A V E -BC 54 112A 25 47,-2.1 47,-3.0 -2,-0.3 2,-0.6 -0.993 18.8-158.4-125.1 133.3 23.4 -53.6 -48.3 66 67 A V E -BC 53 111A 5 -13,-3.1 -13,-2.8 -2,-0.4 2,-0.8 -0.929 3.6-166.3-118.2 113.5 25.2 -55.9 -46.0 67 68 A K E -BC 52 110A 21 43,-2.8 43,-2.7 -2,-0.6 2,-0.6 -0.878 8.5-164.1 -99.2 103.3 23.3 -57.9 -43.3 68 69 A I E -BC 51 109A 16 -17,-2.1 -17,-2.3 -2,-0.8 2,-0.3 -0.823 17.1-139.6 -87.4 118.2 25.9 -59.3 -40.9 69 70 A L E -B 50 0A 4 39,-2.0 -19,-0.3 -2,-0.6 -20,-0.1 -0.611 5.0-130.9 -87.6 135.0 24.1 -62.1 -38.9 70 71 A K - 0 0 86 -21,-1.6 2,-0.4 -2,-0.3 -1,-0.0 -0.487 39.5 -94.3 -71.5 150.0 24.6 -62.6 -35.2 71 72 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.585 72.9 126.6 -68.7 122.0 25.4 -66.1 -34.1 72 73 A V S S- 0 0 83 -2,-0.4 2,-0.3 -23,-0.1 3,-0.1 0.406 74.6 -16.4-134.0 -64.8 22.2 -68.0 -33.1 73 74 A K > - 0 0 133 1,-0.1 4,-1.6 0, 0.0 3,-0.3 -0.925 42.2-143.3-154.1 123.4 21.7 -71.3 -34.9 74 75 A K H > S+ 0 0 143 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.760 105.6 63.4 -55.1 -26.6 23.4 -72.6 -38.1 75 76 A K H > S+ 0 0 112 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.965 106.2 40.0 -59.3 -56.4 19.9 -74.1 -38.8 76 77 A K H > S+ 0 0 34 -3,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.775 114.7 54.4 -64.0 -30.0 18.3 -70.6 -39.1 77 78 A I H X S+ 0 0 23 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.885 110.1 42.8 -77.3 -43.2 21.2 -69.1 -41.0 78 79 A K H X S+ 0 0 31 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.795 110.1 60.5 -70.7 -31.2 21.4 -71.6 -43.8 79 80 A R H X S+ 0 0 31 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.907 105.4 45.7 -62.6 -45.1 17.6 -71.5 -44.0 80 81 A E H X S+ 0 0 5 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.914 114.9 48.5 -66.1 -42.5 17.6 -67.7 -44.8 81 82 A I H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.887 112.8 47.2 -63.2 -40.6 20.3 -68.2 -47.4 82 83 A K H X S+ 0 0 22 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.755 111.7 49.3 -76.7 -26.2 18.6 -71.1 -49.1 83 84 A I H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.849 111.7 49.5 -80.1 -35.6 15.2 -69.4 -49.2 84 85 A L H < S+ 0 0 0 -4,-1.8 4,-0.4 2,-0.2 12,-0.3 0.868 112.3 48.0 -69.2 -39.7 16.7 -66.3 -50.7 85 86 A E H >< S+ 0 0 54 -4,-1.8 3,-1.0 2,-0.2 -2,-0.2 0.917 111.5 49.7 -66.0 -47.2 18.6 -68.3 -53.3 86 87 A N H 3< S+ 0 0 25 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.828 116.0 43.5 -57.5 -35.5 15.4 -70.3 -54.2 87 88 A L T >< S+ 0 0 0 -4,-1.6 3,-1.9 7,-0.1 -1,-0.2 0.376 81.9 133.4 -96.3 2.2 13.5 -67.0 -54.6 88 89 A R T < S+ 0 0 110 -3,-1.0 7,-0.1 -4,-0.4 6,-0.1 -0.349 74.6 16.2 -58.9 122.7 16.2 -65.1 -56.5 89 90 A G T 3 S+ 0 0 68 1,-0.4 -1,-0.3 4,-0.3 3,-0.1 0.208 90.9 132.2 97.4 -14.5 14.7 -63.4 -59.6 90 91 A G S X S- 0 0 7 -3,-1.9 3,-1.6 1,-0.1 -1,-0.4 -0.344 72.1 -76.9 -67.1 156.1 11.1 -63.6 -58.5 91 92 A P T 3 S- 0 0 55 0, 0.0 54,-0.1 0, 0.0 -1,-0.1 -0.299 107.6 -12.2 -63.9 126.6 9.0 -60.4 -58.7 92 93 A N T 3 S+ 0 0 19 1,-0.2 80,-3.0 -3,-0.1 2,-0.4 0.615 96.3 132.7 58.2 19.6 9.6 -57.9 -55.9 93 94 A I B < -e 172 0B 3 -3,-1.6 -4,-0.3 78,-0.2 -1,-0.2 -0.855 66.5-107.5 -93.2 136.1 11.6 -60.4 -53.8 94 95 A I - 0 0 7 78,-1.8 2,-0.5 -2,-0.4 -4,-0.1 -0.377 35.1-120.3 -70.2 141.5 14.9 -58.8 -52.6 95 96 A T - 0 0 45 -7,-0.1 18,-1.5 -2,-0.1 2,-0.8 -0.728 9.0-144.7 -94.0 125.1 17.9 -60.1 -54.4 96 97 A L E +D 112 0A 2 -2,-0.5 16,-0.3 -12,-0.3 3,-0.1 -0.796 19.4 179.3 -81.5 110.8 20.8 -61.8 -52.6 97 98 A A E - 0 0 60 14,-2.4 2,-0.3 -2,-0.8 15,-0.2 0.799 59.3 -22.2 -80.2 -33.6 23.9 -60.7 -54.5 98 99 A D E -D 111 0A 35 13,-1.6 13,-2.3 -65,-0.1 2,-0.3 -0.973 47.2-131.3-164.9 169.8 26.6 -62.6 -52.4 99 100 A I E +D 110 0A 4 -68,-0.3 -66,-1.3 -2,-0.3 2,-0.3 -0.951 31.6 169.6-136.7 122.2 27.5 -64.3 -49.1 100 101 A V E -D 109 0A 9 9,-2.3 9,-2.1 -2,-0.3 2,-0.6 -0.904 36.5-113.5-128.2 157.5 30.8 -63.5 -47.4 101 102 A K E -D 108 0A 116 -68,-0.4 -66,-0.1 -2,-0.3 -33,-0.0 -0.810 29.9-135.7 -85.7 122.2 32.5 -64.1 -44.0 102 103 A D > - 0 0 24 5,-2.0 4,-1.9 -2,-0.6 5,-0.3 -0.709 9.8-145.9 -75.1 125.8 32.9 -60.9 -42.0 103 104 A P T 4 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.756 93.2 45.3 -70.0 -24.8 36.5 -61.0 -40.6 104 105 A V T 4 S+ 0 0 130 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.935 123.4 30.0 -81.5 -53.4 35.6 -59.2 -37.4 105 106 A S T 4 S- 0 0 49 2,-0.1 -1,-0.1 1,-0.0 -4,-0.0 0.700 92.1-142.0 -81.3 -20.1 32.3 -60.9 -36.4 106 107 A R < + 0 0 201 -4,-1.9 -5,-0.1 1,-0.2 -1,-0.0 0.718 63.1 112.3 59.4 28.6 33.3 -64.3 -38.0 107 108 A T S S- 0 0 12 -5,-0.3 -5,-2.0 1,-0.1 -1,-0.2 -0.852 77.3 -82.0-124.5 159.4 29.7 -64.9 -39.1 108 109 A P E - 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0 0 90 -2,-0.4 3,-1.4 -59,-0.0 4,-1.2 -0.855 59.8 -76.9-145.5-178.2 -14.5 -40.8 -41.0 286 287 A S T 34 S+ 0 0 102 1,-0.2 4,-0.2 -2,-0.2 -2,-0.0 0.745 122.8 53.8 -52.6 -30.3 -13.8 -37.5 -42.7 287 288 A E T 34 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.569 120.1 26.1 -89.6 -12.2 -10.0 -38.0 -42.6 288 289 A N T X4 S+ 0 0 0 -3,-1.4 3,-1.6 -62,-0.1 4,-0.5 0.374 86.6 102.8-128.1 4.7 -9.8 -41.4 -44.4 289 290 A Q G >< S+ 0 0 118 -4,-1.2 3,-0.5 1,-0.3 -3,-0.1 0.730 74.8 63.5 -68.6 -25.9 -13.0 -41.6 -46.6 290 291 A H G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -4,-0.2 -161,-0.2 0.672 104.6 49.8 -66.0 -18.8 -11.1 -40.9 -49.8 291 292 A L G < S+ 0 0 2 -3,-1.6 2,-0.3 -66,-0.3 -1,-0.2 0.565 99.2 80.7 -96.7 -14.3 -9.2 -44.2 -49.2 292 293 A V < + 0 0 27 -3,-0.5 3,-0.1 -4,-0.5 -163,-0.0 -0.708 48.9 156.7 -98.6 146.5 -12.3 -46.3 -48.6 293 294 A S > - 0 0 18 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.964 55.0 -99.1-157.2 160.1 -14.6 -47.8 -51.2 294 295 A P H > S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.929 124.2 49.8 -49.2 -48.1 -17.1 -50.8 -51.4 295 296 A E H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 27,-0.3 0.784 107.4 54.0 -68.2 -28.8 -14.4 -52.9 -53.1 296 297 A A H > S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.874 111.4 45.2 -66.4 -41.7 -11.7 -52.0 -50.5 297 298 A L H X S+ 0 0 18 -4,-2.0 4,-2.6 -3,-0.2 -2,-0.2 0.881 110.9 53.6 -70.9 -36.3 -14.0 -53.2 -47.7 298 299 A D H X S+ 0 0 66 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.953 113.2 42.8 -62.6 -49.8 -15.0 -56.3 -49.6 299 300 A F H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 3,-0.4 0.910 114.7 49.2 -57.1 -51.0 -11.3 -57.3 -50.1 300 301 A L H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-1.4 0.927 107.9 56.1 -58.1 -45.1 -10.4 -56.4 -46.5 301 302 A D H 3< S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.796 106.0 50.1 -56.4 -34.7 -13.3 -58.4 -45.3 302 303 A K H 3< S+ 0 0 60 -4,-1.2 10,-1.6 -3,-0.4 -1,-0.3 0.516 112.6 47.2 -85.3 -8.5 -12.1 -61.5 -47.1 303 304 A L H << S+ 0 0 0 -3,-1.4 2,-1.4 -4,-0.6 -2,-0.2 0.798 103.2 61.1 -95.3 -41.6 -8.5 -61.2 -45.6 304 305 A L S < S+ 0 0 0 -4,-2.4 2,-0.3 -5,-0.1 -1,-0.2 -0.535 73.1 129.3 -92.7 69.7 -9.5 -60.6 -42.0 305 306 A R - 0 0 78 -2,-1.4 6,-0.1 -3,-0.2 -3,-0.0 -0.908 58.4-135.4-115.4 149.0 -11.3 -63.9 -41.2 306 307 A Y S S+ 0 0 9 -2,-0.3 2,-0.6 -58,-0.1 -106,-0.2 0.934 89.4 78.0 -68.5 -51.0 -10.6 -66.1 -38.2 307 308 A D > - 0 0 33 1,-0.2 3,-1.2 -55,-0.1 4,-0.3 -0.512 69.4-158.2 -63.0 109.5 -10.7 -69.3 -40.2 308 309 A H G > S+ 0 0 3 -2,-0.6 3,-0.7 1,-0.2 -1,-0.2 0.770 91.1 60.8 -60.1 -25.1 -7.3 -69.4 -42.0 309 310 A Q G 3 S+ 0 0 48 1,-0.2 -1,-0.2 -301,-0.1 -2,-0.1 0.674 101.3 51.8 -77.6 -18.1 -8.9 -71.8 -44.5 310 311 A S G < S+ 0 0 54 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.388 86.1 108.4-101.9 2.0 -11.5 -69.2 -45.6 311 312 A R S < S- 0 0 9 -3,-0.7 -8,-0.2 -4,-0.3 2,-0.2 -0.436 79.5 -96.5 -76.0 153.7 -9.1 -66.4 -46.3 312 313 A L - 0 0 23 -10,-1.6 2,-0.1 -13,-0.2 -1,-0.1 -0.482 36.4-131.5 -66.2 135.8 -8.3 -65.2 -49.9 313 314 A T > - 0 0 30 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.370 29.6-102.0 -74.2 168.8 -5.1 -66.8 -51.3 314 315 A A H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -170,-0.1 0.890 121.5 48.4 -64.0 -39.5 -2.7 -64.4 -53.0 315 316 A R H > S+ 0 0 143 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.920 110.8 48.9 -70.0 -46.9 -3.8 -65.3 -56.5 316 317 A E H 4 S+ 0 0 105 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.824 109.5 55.4 -54.9 -36.0 -7.5 -64.9 -55.8 317 318 A A H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.881 100.1 57.1 -68.7 -39.2 -6.7 -61.6 -54.2 318 319 A M H 3< S+ 0 0 26 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.752 103.0 58.2 -64.2 -22.5 -5.0 -60.4 -57.4 319 320 A E T 3< S+ 0 0 128 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.292 81.4 117.5 -85.4 4.2 -8.3 -61.1 -59.2 320 321 A H S X S- 0 0 12 -3,-1.8 3,-2.3 1,-0.1 4,-0.2 -0.549 74.6-123.2 -79.2 139.9 -10.4 -58.7 -56.9 321 322 A P G > S+ 0 0 55 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.677 105.9 79.2 -48.6 -22.5 -12.2 -55.7 -58.4 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.2 4,-0.1 0.836 96.8 44.9 -51.4 -35.2 -10.2 -53.6 -55.9 323 324 A F G < S+ 0 0 0 -3,-2.3 3,-0.3 -6,-0.2 -1,-0.2 0.291 84.2 94.9 -95.0 8.1 -7.3 -53.9 -58.4 324 325 A Y S < S+ 0 0 157 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.837 83.4 54.0 -66.5 -31.6 -9.2 -53.2 -61.6 325 326 A T S S+ 0 0 78 -4,-0.4 -1,-0.2 -3,-0.4 2,-0.2 0.767 89.9 98.0 -75.5 -23.6 -8.2 -49.5 -61.5 326 327 A V S S- 0 0 7 -3,-0.3 2,-0.4 -4,-0.1 -3,-0.0 -0.441 81.8-115.7 -73.6 135.6 -4.5 -50.5 -61.3 327 328 A V - 0 0 108 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.559 35.3-165.2 -78.1 123.7 -2.6 -50.4 -64.5 328 329 A K - 0 0 92 -2,-0.4 3,-0.1 -4,-0.1 -1,-0.1 0.181 23.4 -97.0 -95.5-147.5 -1.2 -53.8 -65.7 329 330 A D + 0 0 122 1,-0.1 -2,-0.0 -2,-0.0 0, 0.0 -0.048 52.7 140.9-144.2 32.5 1.4 -54.9 -68.2 330 331 A Q 0 0 190 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.773 360.0 360.0 -54.6 -26.2 0.3 -56.0 -71.8 331 332 A A 0 0 122 -3,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.664 360.0 360.0-156.1 360.0 3.5 -54.1 -72.8