==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAY-07 2PVK . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR Z.NIE,C.PERRETTA,P.ERICKSON,S.MARGOSIAK,R.ALMASSY,J.LU, . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 65.5 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 . 40 12.2 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 . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 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 . 6 1.8 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 0 1 2 1 0 1 0 1 1 0 1 0 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 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 6 A M 0 0 213 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.5 20.0 -13.0 -11.1 2 7 A S + 0 0 5 178,-0.1 178,-0.4 202,-0.1 2,-0.3 -0.989 360.0 178.2-136.7 143.6 17.9 -10.8 -8.8 3 8 A K - 0 0 137 -2,-0.4 202,-0.1 176,-0.1 5,-0.1 -0.977 38.8 -92.9-141.0 154.2 16.7 -7.2 -8.8 4 9 A A - 0 0 2 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.356 26.0-139.4 -64.1 147.2 14.5 -5.1 -6.5 5 10 A R S S+ 0 0 153 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.571 85.7 30.4 -84.7 -11.5 10.8 -5.1 -7.5 6 11 A V S S+ 0 0 56 1,-0.1 200,-0.2 2,-0.0 -2,-0.0 -0.953 120.4 14.6-141.7 159.3 10.5 -1.3 -6.8 7 12 A Y S > S+ 0 0 67 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.718 75.1 141.0 49.5 25.0 12.9 1.7 -6.9 8 13 A A T 3 + 0 0 21 1,-0.2 3,-0.3 -4,-0.2 -1,-0.1 0.887 69.8 42.5 -64.3 -37.2 15.3 -0.4 -8.9 9 14 A D T 3> S+ 0 0 86 1,-0.2 4,-2.4 2,-0.1 3,-0.4 0.217 77.5 109.2 -96.7 14.5 16.3 2.6 -11.2 10 15 A V H <> S+ 0 0 13 -3,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.930 89.4 35.8 -55.6 -49.2 16.6 5.4 -8.6 11 16 A N H 4 S+ 0 0 3 166,-0.5 -1,-0.2 -3,-0.3 8,-0.1 0.582 112.2 62.2 -81.9 -9.3 20.4 5.6 -8.9 12 17 A V H 4 S+ 0 0 92 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.2 0.889 110.5 38.7 -78.7 -41.7 20.3 4.8 -12.6 13 18 A L H < S+ 0 0 132 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.1 0.721 103.8 84.5 -81.1 -23.3 18.3 8.0 -13.3 14 19 A R S < S- 0 0 77 -4,-1.2 5,-0.1 -5,-0.2 0, 0.0 -0.497 86.1 -97.8 -85.8 153.2 20.1 10.2 -10.8 15 20 A P >> - 0 0 81 0, 0.0 3,-1.8 0, 0.0 4,-0.9 -0.174 33.0-110.0 -61.5 155.9 23.3 12.2 -11.4 16 21 A K H 3> S+ 0 0 125 1,-0.3 4,-3.6 2,-0.2 3,-0.2 0.839 115.1 72.9 -56.2 -34.0 26.7 10.8 -10.3 17 22 A E H 34 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.778 96.2 51.4 -52.2 -29.2 26.7 13.6 -7.7 18 23 A Y H <4 S+ 0 0 28 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.925 126.3 16.9 -77.2 -47.1 24.0 11.7 -5.8 19 24 A W H < S+ 0 0 80 -4,-0.9 2,-2.3 -3,-0.2 3,-0.2 0.559 97.4 93.5-105.2 -12.1 25.6 8.2 -5.5 20 25 A D >< + 0 0 60 -4,-3.6 3,-1.5 -5,-0.2 4,-0.2 -0.466 47.9 162.6 -81.9 70.7 29.2 8.8 -6.3 21 26 A Y G > + 0 0 22 -2,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.732 62.2 68.7 -63.8 -26.7 30.0 9.2 -2.6 22 27 A E G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.665 94.0 60.1 -68.7 -12.1 33.8 8.7 -3.0 23 28 A A G < S+ 0 0 62 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.577 80.8 119.3 -88.0 -11.6 33.8 12.1 -4.8 24 29 A L < - 0 0 25 -3,-1.5 2,-0.7 -4,-0.2 50,-0.0 -0.262 55.7-150.0 -56.6 135.0 32.5 13.8 -1.6 25 30 A T - 0 0 99 49,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.927 19.8-133.3-110.8 107.0 34.7 16.4 -0.1 26 31 A V - 0 0 26 -2,-0.7 2,-0.7 1,-0.1 48,-0.0 -0.386 12.0-153.3 -62.8 130.5 34.1 16.4 3.6 27 32 A Q - 0 0 140 -2,-0.1 68,-0.3 69,-0.0 2,-0.2 -0.930 16.6-144.5-106.6 111.7 33.5 19.9 5.1 28 33 A W - 0 0 98 -2,-0.7 68,-0.2 1,-0.1 2,-0.0 -0.530 8.7-154.0 -81.5 143.1 34.6 19.8 8.8 29 34 A G - 0 0 32 66,-3.4 2,-0.6 -2,-0.2 68,-0.3 0.030 39.8 -71.7 -91.2-155.4 32.8 21.9 11.4 30 35 A E > - 0 0 100 1,-0.1 3,-2.3 66,-0.1 4,-0.3 -0.912 30.2-156.5-111.3 114.0 34.3 23.1 14.7 31 36 A Q G > S+ 0 0 68 -2,-0.6 3,-1.8 66,-0.3 -1,-0.1 0.842 92.0 65.2 -53.1 -37.8 35.0 20.5 17.3 32 37 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.598 85.3 75.0 -64.3 -9.7 34.8 23.1 20.1 33 38 A D G < S+ 0 0 37 -3,-2.3 21,-2.7 1,-0.1 22,-0.5 0.731 95.5 54.0 -74.0 -20.8 31.1 23.7 19.3 34 39 A Y E < -A 53 0A 28 -3,-1.8 2,-0.4 -4,-0.3 19,-0.2 -0.954 64.8-170.9-124.2 130.0 30.2 20.4 21.0 35 40 A E E -A 52 0A 115 17,-2.1 17,-1.6 -2,-0.5 2,-0.1 -0.928 27.7-113.0-120.2 141.6 31.0 19.2 24.5 36 41 A V E +A 51 0A 80 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.438 29.2 175.3 -69.7 138.8 30.5 15.8 26.0 37 42 A V E - 0 0 74 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.651 66.1 -27.9-114.2 -30.8 27.9 15.5 28.8 38 43 A R E -A 50 0A 132 12,-1.6 12,-3.3 0, 0.0 -1,-0.4 -0.874 62.3-101.0 178.6 148.4 27.9 11.8 29.4 39 44 A K E +A 49 0A 111 10,-0.3 10,-0.3 -2,-0.3 3,-0.1 -0.629 32.8 173.2 -80.1 137.9 28.6 8.5 27.6 40 45 A V E - 0 0 72 8,-3.1 2,-0.3 1,-0.3 9,-0.2 0.478 60.2 -8.6-121.2 -9.5 25.4 6.7 26.5 41 46 A G E -A 48 0A 24 7,-1.7 7,-2.8 2,-0.0 -1,-0.3 -0.991 49.3-151.0-174.7 171.2 26.8 3.8 24.5 42 47 A R E +A 47 0A 192 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.974 16.5 168.1-151.7 158.9 29.7 2.0 22.8 43 48 A G - 0 0 25 3,-2.0 3,-0.3 -2,-0.3 -2,-0.0 -0.964 52.5 -84.4-162.6 175.8 30.3 -0.2 19.9 44 49 A K S S+ 0 0 163 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.792 127.5 35.9 -61.6 -26.7 32.9 -1.8 17.6 45 50 A Y S S- 0 0 132 1,-0.2 21,-2.2 20,-0.1 2,-0.3 0.574 124.0 -3.0-105.0 -11.5 32.9 1.3 15.5 46 51 A S E - B 0 65A 15 -3,-0.3 -3,-2.0 19,-0.2 2,-0.4 -0.998 53.3-115.6-170.8 168.7 32.4 4.2 18.0 47 52 A E E -AB 42 64A 65 17,-1.9 17,-2.7 -2,-0.3 2,-0.5 -0.944 36.1-147.4-112.1 133.1 31.9 5.6 21.5 48 53 A V E +AB 41 63A 17 -7,-2.8 -8,-3.1 -2,-0.4 -7,-1.7 -0.914 17.5 179.8-114.4 129.3 28.6 7.5 21.9 49 54 A F E -AB 39 62A 30 13,-3.0 13,-3.3 -2,-0.5 2,-0.4 -0.945 32.1-125.8-128.1 143.9 28.0 10.5 24.1 50 55 A E E +AB 38 61A 17 -12,-3.3 -13,-3.0 -2,-0.4 -12,-1.6 -0.705 49.7 170.8 -77.7 134.7 25.1 12.7 24.9 51 56 A G E -AB 36 60A 0 9,-3.3 9,-1.7 -2,-0.4 2,-0.3 -0.683 27.4-128.6-133.8-170.6 26.6 16.1 24.2 52 57 A I E -AB 35 59A 42 -17,-1.6 -17,-2.1 7,-0.3 2,-0.8 -0.995 18.6-122.8-147.3 142.9 25.5 19.8 23.9 53 58 A N E >> -AB 34 58A 20 5,-2.6 4,-2.6 -2,-0.3 5,-0.5 -0.788 20.0-154.6 -85.8 110.4 26.0 22.5 21.3 54 59 A V T 45S+ 0 0 53 -21,-2.7 -1,-0.2 -2,-0.8 -20,-0.1 0.729 89.5 58.0 -58.8 -23.3 27.8 25.3 23.2 55 60 A N T 45S+ 0 0 107 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.964 126.2 11.7 -72.0 -54.3 26.4 27.8 20.7 56 61 A N T 45S- 0 0 72 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.392 94.3-125.1-106.2 0.1 22.7 27.1 21.1 57 62 A N T <5 + 0 0 137 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.737 60.4 147.1 61.1 24.2 22.7 25.0 24.2 58 63 A E E < -B 53 0A 125 -5,-0.5 -5,-2.6 1,-0.1 -1,-0.2 -0.710 50.9-109.3 -94.4 142.8 20.8 22.3 22.4 59 64 A K E +B 52 0A 120 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.228 43.4 166.1 -65.9 156.8 21.3 18.6 23.1 60 65 A C E -BC 51 109A 1 -9,-1.7 -9,-3.3 49,-0.2 2,-0.5 -0.949 35.1-110.5-160.1 172.7 23.1 16.3 20.6 61 66 A I E -BC 50 108A 23 47,-2.8 47,-2.8 -2,-0.3 2,-0.6 -0.973 24.3-158.4-118.2 126.4 24.7 12.9 20.1 62 67 A I E -BC 49 107A 9 -13,-3.3 -13,-3.0 -2,-0.5 2,-0.7 -0.926 4.7-169.4-109.4 118.8 28.4 12.7 19.6 63 68 A K E -BC 48 106A 17 43,-2.4 43,-2.4 -2,-0.6 2,-0.8 -0.917 8.1-158.1-109.4 107.5 29.8 9.5 18.0 64 69 A I E -BC 47 105A 51 -17,-2.7 -17,-1.9 -2,-0.7 41,-0.2 -0.776 20.2-137.8 -86.7 113.2 33.6 9.4 18.3 65 70 A L E -B 46 0A 19 39,-2.2 -19,-0.2 -2,-0.8 3,-0.1 -0.457 3.2-138.7 -77.6 141.2 34.7 7.0 15.5 66 71 A K - 0 0 85 -21,-2.2 -1,-0.0 1,-0.2 -22,-0.0 -0.471 63.1 -47.1 -85.3 166.1 37.4 4.4 15.9 67 72 A P S S+ 0 0 142 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.037 75.5 171.2 -38.7 125.6 39.9 4.1 13.0 68 73 A V - 0 0 57 -3,-0.1 2,-0.1 3,-0.0 -3,-0.0 -0.995 34.8-101.5-144.9 148.1 37.9 3.9 9.7 69 74 A K > - 0 0 169 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.412 27.3-125.6 -70.8 140.3 38.6 4.0 6.0 70 75 A K H > S+ 0 0 146 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.880 111.7 54.2 -49.4 -43.6 38.1 7.2 4.1 71 76 A K H > S+ 0 0 106 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.950 109.0 46.3 -58.5 -52.2 35.8 5.3 1.7 72 77 A K H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.905 112.7 48.8 -58.9 -46.1 33.6 3.9 4.4 73 78 A I H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.846 108.8 52.8 -66.1 -35.1 33.2 7.2 6.2 74 79 A K H X S+ 0 0 32 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.843 106.1 55.7 -69.0 -31.0 32.3 9.1 3.1 75 80 A R H X S+ 0 0 32 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.919 108.7 45.4 -67.0 -44.8 29.6 6.6 2.3 76 81 A E H X S+ 0 0 17 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.917 116.0 47.1 -65.3 -42.5 27.9 7.1 5.7 77 82 A I H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.938 111.3 49.8 -65.2 -47.7 28.1 10.9 5.4 78 83 A K H X S+ 0 0 35 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.914 112.5 47.9 -58.1 -43.6 26.9 11.0 1.8 79 84 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.904 109.1 52.5 -65.7 -41.7 23.9 8.8 2.6 80 85 A L H < S+ 0 0 3 -4,-2.2 4,-0.5 1,-0.2 12,-0.2 0.914 111.6 47.8 -61.2 -40.3 22.9 10.9 5.7 81 86 A Q H >< S+ 0 0 92 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.897 109.8 51.7 -67.5 -41.1 23.0 14.0 3.6 82 87 A N H 3< S+ 0 0 26 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 114.2 43.7 -64.1 -34.6 20.9 12.5 0.8 83 88 A L T >< S+ 0 0 0 -4,-2.1 3,-2.3 -5,-0.2 -1,-0.2 0.437 82.4 137.2 -91.8 1.9 18.3 11.4 3.3 84 89 A X T < S+ 0 0 77 -3,-0.9 7,-0.1 -4,-0.5 6,-0.1 -0.223 74.3 13.5 -53.9 124.2 18.2 14.7 5.3 85 90 A G T 3 S+ 0 0 59 4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.359 93.2 137.5 92.2 -7.2 14.7 15.7 6.2 86 91 A G X - 0 0 8 -3,-2.3 3,-1.8 1,-0.2 -1,-0.3 -0.320 69.9 -72.0 -69.9 157.9 13.2 12.4 5.3 87 92 A P T 3 S- 0 0 58 0, 0.0 -1,-0.2 0, 0.0 54,-0.2 -0.288 111.2 -16.8 -55.2 118.9 10.5 10.9 7.6 88 93 A N T 3 S+ 0 0 22 1,-0.2 80,-2.8 -2,-0.1 2,-0.6 0.712 95.0 144.6 56.6 25.5 12.1 9.7 10.9 89 94 A I B < -e 168 0B 3 -3,-1.8 -4,-0.3 78,-0.2 -1,-0.2 -0.847 57.3-111.7 -94.9 123.1 15.6 9.7 9.4 90 95 A V - 0 0 4 78,-1.8 2,-0.4 -2,-0.6 -4,-0.1 -0.222 33.0-124.1 -53.4 137.3 18.2 10.8 12.0 91 96 A K - 0 0 77 -7,-0.1 18,-1.5 -6,-0.1 2,-0.8 -0.731 8.9-143.0 -91.3 130.0 19.6 14.2 11.2 92 97 A L E +D 108 0A 26 -2,-0.4 16,-0.2 -12,-0.2 3,-0.1 -0.831 21.8 179.2 -89.1 115.0 23.4 14.6 10.8 93 98 A L E - 0 0 89 14,-2.8 2,-0.3 -2,-0.8 15,-0.2 0.873 55.7 -13.3 -86.2 -41.1 24.1 18.0 12.4 94 99 A D E -D 107 0A 37 13,-1.5 13,-3.1 -65,-0.1 2,-0.4 -0.983 47.4-140.5-157.8 166.9 27.9 18.3 12.0 95 100 A I E +D 106 0A 11 -2,-0.3 -66,-3.4 -68,-0.3 2,-0.3 -0.985 29.7 166.1-136.2 121.1 31.2 16.5 11.2 96 101 A V E -D 105 0A 4 9,-2.5 9,-3.5 -2,-0.4 2,-0.3 -0.886 15.6-160.1-134.4 165.5 34.4 17.2 13.1 97 102 A R E -D 104 0A 95 -2,-0.3 2,-0.6 7,-0.3 -66,-0.3 -0.981 25.5-117.5-144.3 155.2 37.9 15.8 13.7 98 103 A D > - 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0 0 61 -5,-2.0 3,-0.2 -6,-0.3 -1,-0.2 -0.970 49.1-132.8-121.8 133.8 10.8 -12.5 22.5 225 230 A E S S- 0 0 95 -2,-0.4 2,-0.1 1,-0.4 -9,-0.0 -0.906 95.8 -1.3-128.1 101.5 14.2 -10.9 22.5 226 231 A P S S- 0 0 19 0, 0.0 -1,-0.4 0, 0.0 3,-0.2 0.738 75.1-150.2 -95.8-178.2 15.3 -11.7 20.0 227 232 A F S S+ 0 0 24 -12,-0.3 2,-0.9 1,-0.3 -2,-0.1 0.955 94.1 39.1 -74.3 -49.7 12.9 -13.9 18.0 228 233 A F S S- 0 0 4 -37,-0.4 2,-1.1 -4,-0.1 -1,-0.3 -0.851 77.9-173.0-102.4 97.7 15.6 -15.9 16.1 229 234 A Y + 0 0 125 -2,-0.9 2,-0.3 -3,-0.2 -38,-0.0 -0.674 14.9 161.7 -97.9 83.1 18.3 -16.4 18.7 230 235 A G - 0 0 0 -2,-1.1 6,-0.1 1,-0.1 -39,-0.1 -0.682 36.7-144.6 -99.6 155.1 21.3 -18.0 16.9 231 236 A H S S+ 0 0 131 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.714 81.6 4.5 -90.2 -24.3 24.9 -18.2 18.2 232 237 A D S > S- 0 0 85 -42,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.934 89.7 -86.3-149.2 171.7 26.7 -17.8 14.8 233 238 A N H > S+ 0 0 67 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.793 126.5 47.6 -53.7 -33.3 25.7 -17.2 11.2 234 239 A H H > S+ 0 0 49 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.915 112.8 47.1 -74.7 -42.9 25.2 -20.9 10.5 235 240 A D H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.802 105.2 63.0 -67.5 -27.9 23.1 -21.4 13.7 236 241 A Q H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.926 104.2 46.0 -62.7 -45.2 21.1 -18.3 12.7 237 242 A L H X S+ 0 0 0 -4,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.879 110.4 55.3 -65.1 -36.7 19.9 -20.0 9.5 238 243 A V H X S+ 0 0 13 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.927 105.5 50.7 -61.6 -46.2 19.1 -23.1 11.6 239 244 A K H < S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.876 112.7 47.8 -59.8 -37.4 16.9 -21.2 14.0 240 245 A I H >X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 3,-2.1 0.955 110.5 50.1 -68.3 -49.9 15.1 -19.7 11.0 241 246 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.832 101.3 63.2 -58.2 -34.4 14.6 -23.1 9.2 242 247 A K H 3< S+ 0 0 94 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.563 115.3 33.3 -69.7 -4.8 13.2 -24.6 12.4 243 248 A V H <4 S+ 0 0 14 -3,-2.1 31,-2.9 -5,-0.1 -2,-0.2 0.755 126.7 32.9-112.7 -56.0 10.4 -22.2 12.1 244 249 A L H < S- 0 0 17 -4,-2.6 4,-0.4 29,-0.2 29,-0.2 0.678 111.0-123.3 -78.0 -16.9 9.7 -21.6 8.4 245 250 A G X - 0 0 1 -4,-1.8 4,-1.0 -5,-0.5 27,-0.2 0.150 13.0 -94.7 90.4 152.4 10.7 -25.2 7.6 246 251 A T H > S+ 0 0 4 25,-2.2 4,-3.1 2,-0.2 5,-0.2 0.755 115.1 69.0 -75.7 -25.1 13.3 -26.7 5.2 247 252 A D H > S+ 0 0 116 24,-0.6 4,-2.1 1,-0.2 5,-0.2 0.956 102.7 46.0 -57.6 -48.4 10.8 -27.1 2.4 248 253 A G H > S+ 0 0 30 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.868 112.4 51.7 -61.4 -36.6 10.7 -23.4 2.0 249 254 A L H X S+ 0 0 4 -4,-1.0 4,-2.9 2,-0.2 5,-0.2 0.947 108.5 49.1 -66.7 -48.2 14.4 -23.2 2.2 250 255 A N H X S+ 0 0 79 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.901 111.2 50.2 -58.4 -42.0 15.1 -25.8 -0.5 251 256 A A H X S+ 0 0 60 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.916 111.1 50.2 -62.2 -42.0 12.6 -24.0 -2.8 252 257 A Y H X S+ 0 0 6 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.949 111.6 47.3 -60.1 -51.4 14.4 -20.8 -2.1 253 258 A L H <>S+ 0 0 13 -4,-2.9 5,-2.7 1,-0.2 -1,-0.2 0.856 112.0 49.9 -60.1 -38.6 17.9 -22.3 -2.9 254 259 A N H ><5S+ 0 0 103 -4,-2.4 3,-0.8 -5,-0.2 -1,-0.2 0.848 105.7 57.1 -72.2 -31.7 16.7 -23.9 -6.1 255 260 A K H 3<5S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.872 117.5 32.8 -66.1 -36.4 15.1 -20.7 -7.3 256 261 A Y T 3<5S- 0 0 29 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.139 108.5-119.9-107.0 19.2 18.4 -18.8 -7.1 257 262 A R T < 5 + 0 0 212 -3,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.887 57.7 158.5 42.6 53.6 20.7 -21.8 -7.9 258 263 A I < - 0 0 35 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.884 31.9-152.6-110.6 137.9 22.5 -21.6 -4.6 259 264 A E - 0 0 185 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.940 15.5-134.7-112.2 122.5 24.4 -24.4 -2.9 260 265 A L - 0 0 26 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.379 34.4 -97.4 -70.0 148.1 24.7 -24.5 0.9 261 266 A D > - 0 0 88 1,-0.1 4,-2.8 -2,-0.1 3,-0.4 -0.514 38.4-117.9 -65.4 135.5 28.1 -25.2 2.3 262 267 A P H > S+ 0 0 104 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.830 114.6 50.4 -42.0 -45.9 28.0 -29.0 3.1 263 268 A Q H > S+ 0 0 137 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.943 112.4 47.3 -61.6 -47.5 28.6 -28.3 6.9 264 269 A L H > S+ 0 0 3 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.938 110.2 50.9 -59.5 -50.6 25.7 -25.8 6.9 265 270 A E H X S+ 0 0 127 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.874 110.7 51.9 -55.5 -36.3 23.4 -28.1 5.0 266 271 A A H < S+ 0 0 77 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.908 110.2 47.2 -67.0 -42.6 24.3 -30.7 7.6 267 272 A L H < S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 107.8 54.7 -67.1 -40.8 23.5 -28.4 10.5 268 273 A V H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.868 82.4 170.2 -62.9 -38.0 20.1 -27.2 9.1 269 274 A G < - 0 0 47 -4,-1.4 2,-0.4 -5,-0.2 -1,-0.2 -0.287 46.8 -46.5 62.4-145.2 18.8 -30.7 8.8 270 275 A R + 0 0 164 -25,-0.0 2,-0.3 -28,-0.0 -1,-0.1 -0.995 61.9 172.0-129.1 129.6 15.1 -31.2 8.0 271 276 A H - 0 0 48 -2,-0.4 -25,-2.2 -30,-0.1 -24,-0.6 -0.977 27.0-125.4-139.3 151.3 12.3 -29.3 9.7 272 277 A S - 0 0 56 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.2 -0.609 39.3 -97.9 -91.3 153.1 8.6 -28.8 9.4 273 278 A R - 0 0 149 -2,-0.2 -29,-0.2 -29,-0.2 -30,-0.1 -0.519 37.6-145.5 -71.0 134.1 7.0 -25.4 9.1 274 279 A K - 0 0 66 -31,-2.9 -1,-0.0 -2,-0.2 -29,-0.0 -0.902 17.5-115.8-107.2 124.6 5.6 -24.3 12.5 275 280 A P > - 0 0 75 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.247 21.2-125.4 -55.9 139.8 2.4 -22.2 12.6 276 281 A W G > S+ 0 0 18 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 0.828 108.0 65.1 -56.1 -34.5 3.0 -18.7 14.0 277 282 A L G > S+ 0 0 89 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.628 81.5 78.3 -66.4 -12.7 0.3 -19.3 16.7 278 283 A K G < S+ 0 0 154 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.507 90.6 56.5 -74.1 -1.1 2.5 -22.0 18.2 279 284 A F G < S+ 0 0 50 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.3 0.261 82.5 111.9-110.6 7.6 4.5 -19.1 19.7 280 285 A M < + 0 0 90 -3,-1.5 2,-0.3 3,-0.1 5,-0.1 -0.624 39.0 160.7 -84.5 141.5 1.5 -17.5 21.5 281 286 A N > - 0 0 65 -2,-0.3 3,-0.8 -59,-0.0 4,-0.5 -0.917 57.0 -82.7-149.9 173.8 1.3 -17.6 25.3 282 287 A A T 3 S+ 0 0 83 -2,-0.3 3,-0.3 1,-0.2 4,-0.3 0.742 125.6 54.3 -54.1 -25.0 -0.4 -15.8 28.2 283 288 A D T 3 S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.832 117.5 31.0 -81.0 -34.0 2.2 -13.1 28.0 284 289 A N S X> S+ 0 0 0 -3,-0.8 3,-0.9 -62,-0.1 4,-0.9 0.059 87.6 105.0-113.4 25.0 1.8 -12.2 24.3 285 290 A Q G >4 S+ 0 0 132 -4,-0.5 3,-0.6 -3,-0.3 -1,-0.1 0.907 75.8 56.0 -71.2 -42.5 -1.9 -13.0 24.0 286 291 A H G 34 S+ 0 0 107 -4,-0.3 -1,-0.2 1,-0.2 -161,-0.2 0.345 114.7 43.2 -73.4 11.8 -3.1 -9.4 23.9 287 292 A L G <4 S+ 0 0 2 -3,-0.9 2,-0.5 -66,-0.2 -1,-0.2 0.559 90.3 78.3-130.8 -14.6 -0.7 -8.8 21.0 288 293 A V << + 0 0 10 -4,-0.9 -2,-0.1 -3,-0.6 -1,-0.1 -0.275 56.8 158.1-101.2 52.8 -1.0 -11.7 18.5 289 294 A S > - 0 0 34 -2,-0.5 4,-2.3 1,-0.1 3,-0.2 -0.139 57.3-101.1 -66.1 164.6 -4.2 -11.0 16.6 290 295 A P H > S+ 0 0 112 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.817 123.2 54.0 -57.4 -34.0 -4.9 -12.5 13.1 291 296 A E H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 27,-0.2 0.905 108.2 49.2 -68.9 -40.6 -3.9 -9.2 11.4 292 297 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 113.9 46.3 -64.3 -43.2 -0.6 -9.1 13.2 293 298 A I H X S+ 0 0 25 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.920 111.2 51.0 -64.9 -45.0 0.1 -12.7 12.2 294 299 A D H X S+ 0 0 61 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.907 113.2 46.0 -59.5 -43.5 -1.0 -12.1 8.6 295 300 A F H < S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 3,-0.4 0.936 112.4 49.6 -65.6 -46.8 1.4 -9.1 8.3 296 301 A L H >X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-1.5 0.902 107.3 56.3 -59.0 -41.2 4.3 -10.9 10.0 297 302 A D H 3< S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 104.0 52.8 -60.9 -35.0 3.8 -13.9 7.6 298 303 A K T 3< S+ 0 0 71 -4,-1.2 10,-1.8 -3,-0.4 -1,-0.3 0.506 113.0 45.1 -80.3 -4.8 4.2 -11.6 4.6 299 304 A L T <4 S+ 0 0 0 -3,-1.5 2,-1.8 -4,-0.5 -2,-0.2 0.819 101.9 62.6-101.9 -47.9 7.5 -10.2 5.9 300 305 A L S < S+ 0 0 2 -4,-2.4 2,-0.4 -86,-0.1 -1,-0.2 -0.535 70.6 135.6 -84.2 76.6 9.3 -13.3 7.0 301 306 A R - 0 0 60 -2,-1.8 6,-0.2 -3,-0.2 5,-0.1 -0.952 56.9-134.8-120.7 140.2 9.6 -15.2 3.7 302 307 A Y S S+ 0 0 14 -2,-0.4 2,-0.7 1,-0.1 -106,-0.2 0.964 93.6 73.9 -57.1 -52.6 12.8 -16.8 2.5 303 308 A D S >> S- 0 0 8 1,-0.2 3,-2.0 -3,-0.1 4,-0.9 -0.521 72.3-156.8 -68.3 109.7 12.5 -15.3 -0.9 304 309 A H T 34 S+ 0 0 2 -2,-0.7 3,-0.2 1,-0.3 -1,-0.2 0.773 93.9 62.0 -57.3 -25.5 13.3 -11.7 -0.5 305 310 A Q T 34 S+ 0 0 46 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.698 99.7 53.3 -75.5 -18.1 11.3 -11.2 -3.7 306 311 A E T <4 S+ 0 0 104 -3,-2.0 -1,-0.2 -7,-0.1 -2,-0.2 0.716 87.3 101.8 -86.5 -24.7 8.1 -12.4 -2.0 307 312 A R S < S- 0 0 4 -4,-0.9 -8,-0.2 -3,-0.2 -9,-0.1 -0.200 83.3 -98.2 -62.5 151.0 8.3 -10.1 1.0 308 313 A L - 0 0 24 -10,-1.8 2,-0.2 -13,-0.2 -1,-0.1 -0.326 36.7-123.9 -64.3 151.1 6.1 -7.0 1.3 309 314 A T > - 0 0 27 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.506 30.9-103.2 -86.4 167.8 7.9 -3.8 0.2 310 315 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -170,-0.1 0.904 123.8 51.4 -60.5 -40.9 7.9 -1.0 2.8 311 316 A L H > S+ 0 0 91 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.896 110.9 47.5 -63.2 -41.2 5.1 0.8 0.9 312 317 A E H >> S+ 0 0 80 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.929 109.3 54.3 -64.2 -45.6 2.9 -2.3 0.8 313 318 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 6,-0.2 0.890 102.0 57.9 -56.3 -42.1 3.5 -3.0 4.5 314 319 A M H 3< S+ 0 0 21 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.764 106.6 49.3 -61.8 -25.5 2.3 0.5 5.4 315 320 A T H << S+ 0 0 88 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.490 80.1 120.6 -93.4 -4.7 -1.1 -0.2 3.8 316 321 A H S X< S- 0 0 12 -3,-1.3 3,-2.3 -4,-0.6 4,-0.2 -0.342 76.3-117.6 -60.5 139.0 -1.7 -3.6 5.4 317 322 A P G > S+ 0 0 68 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.733 108.0 79.1 -50.1 -25.3 -5.0 -3.5 7.5 318 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.860 99.3 41.9 -52.3 -35.7 -3.0 -4.2 10.6 319 324 A F G <> S+ 0 0 0 -3,-2.3 4,-2.6 -6,-0.2 3,-0.3 0.329 80.2 112.3 -94.9 6.2 -2.1 -0.4 10.5 320 325 A Q H <> S+ 0 0 106 -3,-2.1 4,-2.9 1,-0.2 5,-0.2 0.834 78.9 47.3 -50.8 -40.8 -5.6 0.9 9.6 321 326 A Q H > S+ 0 0 107 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.897 111.9 50.7 -69.4 -38.1 -6.2 2.7 12.9 322 327 A V H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.922 114.5 44.7 -63.4 -42.9 -2.7 4.2 12.9 323 328 A R H X S+ 0 0 58 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.947 112.7 49.8 -66.2 -49.1 -3.4 5.5 9.3 324 329 A A H < S+ 0 0 55 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.905 111.0 51.2 -56.5 -41.3 -6.9 6.7 10.2 325 330 A A H < S+ 0 0 49 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.914 109.0 50.4 -62.5 -43.8 -5.5 8.5 13.2 326 331 A E H < S+ 0 0 94 -4,-2.0 2,-2.5 1,-0.3 -2,-0.2 0.919 99.2 64.2 -61.9 -47.0 -2.8 10.3 11.1 327 332 A N < 0 0 135 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 -0.187 360.0 360.0 -74.6 49.3 -5.2 11.5 8.5 328 333 A S 0 0 136 -2,-2.5 -1,-0.2 -3,-0.5 -2,-0.2 0.566 360.0 360.0-133.1 360.0 -6.9 13.6 11.2