==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 08-DEC-10 3PWD . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR R.BATTISTUTTA,M.MAZZORANA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 65.1 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 . 23 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 29.4 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 1 0 2 0 0 2 0 1 0 1 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 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 51 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.9 17.5 -10.5 -9.2 2 8 A K - 0 0 131 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.992 360.0 -86.3-142.6 152.2 16.4 -6.8 -9.1 3 9 A A - 0 0 1 -2,-0.3 4,-0.1 1,-0.1 3,-0.1 -0.153 26.9-143.6 -53.8 142.9 14.3 -4.6 -6.9 4 10 A R S S+ 0 0 167 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.628 85.0 30.3 -83.7 -14.5 10.5 -4.6 -7.8 5 11 A V S S+ 0 0 58 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.981 120.0 16.5-143.5 152.3 10.3 -0.9 -6.9 6 12 A Y S > S+ 0 0 72 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.749 75.0 142.6 59.3 25.3 12.6 2.2 -7.0 7 13 A A T 3 + 0 0 20 1,-0.2 4,-0.2 -4,-0.1 3,-0.2 0.836 69.8 40.3 -66.0 -31.3 14.9 0.2 -9.3 8 14 A D T 3> S+ 0 0 90 1,-0.1 4,-2.0 2,-0.1 -1,-0.2 0.179 80.1 107.8-105.0 15.6 15.8 3.2 -11.4 9 15 A V H <> S+ 0 0 18 -3,-1.0 4,-0.7 1,-0.2 3,-0.4 0.965 89.3 35.1 -60.1 -55.8 16.2 6.0 -8.8 10 16 A N H 4 S+ 0 0 4 166,-0.4 3,-0.4 -4,-0.3 -1,-0.2 0.813 112.5 63.9 -69.3 -29.0 20.0 6.3 -8.9 11 17 A V H 4 S+ 0 0 97 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.866 107.4 41.2 -58.0 -41.4 19.8 5.5 -12.7 12 18 A L H < S+ 0 0 134 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.564 104.0 85.3 -87.5 -9.5 17.9 8.8 -13.3 13 19 A R S < S- 0 0 79 -4,-0.7 5,-0.1 -3,-0.4 -4,-0.0 -0.704 88.6 -91.7 -99.0 148.4 19.9 10.9 -10.8 14 20 A P >> - 0 0 71 0, 0.0 3,-0.9 0, 0.0 4,-0.8 -0.073 35.4-118.3 -44.8 147.2 23.2 12.8 -11.4 15 21 A K H >> S+ 0 0 131 1,-0.3 4,-2.6 2,-0.2 3,-0.7 0.881 111.7 67.8 -61.4 -39.3 26.3 10.9 -10.6 16 22 A E H 34 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.839 94.1 60.1 -47.7 -38.3 27.2 13.5 -7.9 17 23 A Y H <4 S+ 0 0 26 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.906 119.3 21.9 -63.0 -43.9 24.2 12.2 -5.9 18 24 A W H << S+ 0 0 59 -4,-0.8 2,-1.3 -3,-0.7 -1,-0.2 0.648 100.0 92.5-102.0 -13.0 25.3 8.6 -5.5 19 25 A D < + 0 0 49 -4,-2.6 3,-0.3 1,-0.2 -1,-0.1 -0.629 44.3 165.1 -87.0 89.1 29.1 8.9 -6.0 20 26 A Y > + 0 0 14 -2,-1.3 3,-1.2 1,-0.2 -1,-0.2 0.651 62.6 69.0 -84.3 -19.3 30.4 9.4 -2.4 21 27 A E T 3 S+ 0 0 114 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.845 94.2 59.1 -68.2 -31.9 34.1 8.7 -2.9 22 28 A A T 3 S+ 0 0 68 -3,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.311 84.2 120.5 -78.4 9.8 34.4 12.0 -4.9 23 29 A L < - 0 0 30 -3,-1.2 2,-0.5 1,-0.0 -3,-0.0 -0.511 49.5-159.3 -77.2 142.1 33.1 13.8 -1.8 24 30 A T - 0 0 100 -2,-0.2 2,-0.1 49,-0.0 -2,-0.1 -0.955 20.3-129.9-126.7 112.1 35.3 16.5 -0.2 25 31 A V - 0 0 23 -2,-0.5 2,-0.8 1,-0.1 48,-0.0 -0.320 6.8-148.5 -72.2 137.2 34.5 17.3 3.4 26 32 A Q - 0 0 151 -2,-0.1 68,-0.3 69,-0.0 -1,-0.1 -0.888 24.9-154.1-102.2 103.2 33.9 20.8 4.7 27 33 A W - 0 0 89 -2,-0.8 68,-0.2 1,-0.1 2,-0.2 -0.229 7.4-155.5 -80.0 166.2 35.1 20.8 8.3 28 34 A G - 0 0 28 66,-1.7 2,-0.7 -2,-0.0 68,-0.4 -0.520 37.7 -56.5-124.5-167.4 33.9 23.1 11.1 29 35 A E > - 0 0 101 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 -0.662 36.3-165.2 -78.6 111.4 35.1 24.6 14.5 30 36 A Q G > S+ 0 0 56 -2,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.870 88.1 59.7 -62.6 -34.8 36.0 21.7 16.9 31 37 A D G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.490 83.5 78.8 -78.7 -1.8 35.9 24.2 19.8 32 38 A D G < S+ 0 0 29 -3,-1.4 21,-3.1 21,-0.1 22,-0.5 0.693 94.6 63.1 -65.3 -18.5 32.3 25.1 19.2 33 39 A Y E < -A 52 0A 33 -3,-1.6 2,-0.4 -4,-0.2 19,-0.2 -0.904 61.7-173.2-126.7 136.5 31.6 21.8 20.9 34 40 A E E -A 51 0A 113 17,-2.2 17,-2.7 -2,-0.4 2,-0.3 -0.981 22.8-125.6-131.2 137.7 32.1 20.4 24.4 35 41 A V E +A 50 0A 75 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.586 26.1 171.5 -80.7 137.0 31.6 16.9 25.9 36 42 A V E - 0 0 89 13,-3.3 2,-0.3 1,-0.3 14,-0.2 0.717 62.9 -18.9-113.9 -33.6 29.4 16.6 29.0 37 43 A R E -A 49 0A 142 12,-1.5 12,-3.4 0, 0.0 -1,-0.3 -0.888 62.6-104.0-175.1 144.6 29.0 12.8 29.4 38 44 A K E +A 48 0A 82 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.482 32.2 168.7 -75.6 142.0 29.2 9.5 27.6 39 45 A V E + 0 0 63 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.377 60.5 16.6-130.6 -4.1 26.0 7.8 26.5 40 46 A G E -A 47 0A 15 7,-1.4 7,-1.8 2,-0.0 2,-0.3 -0.991 50.1-161.8-168.1 163.8 27.1 5.1 24.2 41 47 A R E +A 46 0A 177 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.981 15.1 163.3-155.4 141.1 29.9 2.8 22.9 42 48 A G - 0 0 34 3,-2.5 -2,-0.0 -2,-0.3 23,-0.0 -0.922 51.8 -99.8-149.5 174.4 30.4 0.7 19.9 43 49 A K S S+ 0 0 163 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.747 124.4 36.6 -69.4 -23.0 33.2 -1.0 17.9 44 50 A Y S S+ 0 0 114 1,-0.2 21,-3.2 20,-0.1 2,-0.3 0.598 125.8 1.1-104.8 -12.3 33.2 1.9 15.5 45 51 A S E - B 0 64A 11 19,-0.3 -3,-2.5 2,-0.0 2,-0.3 -0.983 52.1-126.7-164.5 170.3 32.5 4.8 17.7 46 52 A E E -AB 41 63A 59 17,-2.6 17,-3.2 -2,-0.3 2,-0.4 -0.971 28.2-148.7-127.2 142.5 31.9 6.4 21.1 47 53 A V E -AB 40 62A 33 -7,-1.8 -8,-2.5 -2,-0.3 -7,-1.4 -0.918 15.7-178.9-124.8 141.6 28.9 8.7 21.7 48 54 A F E -AB 38 61A 36 13,-2.1 13,-2.8 -2,-0.4 2,-0.5 -0.971 32.4-120.7-141.2 146.8 28.5 11.7 24.1 49 55 A E E +AB 37 60A 34 -12,-3.4 -13,-3.3 -2,-0.3 -12,-1.5 -0.789 50.3 174.8 -81.7 129.2 26.0 14.3 25.3 50 56 A G E -AB 35 59A 1 9,-2.2 9,-1.3 -2,-0.5 2,-0.4 -0.653 27.6-121.5-130.1-177.6 27.6 17.6 24.4 51 57 A I E -AB 34 58A 48 -17,-2.7 -17,-2.2 7,-0.2 2,-0.7 -0.995 12.3-137.6-132.2 137.6 27.1 21.3 24.4 52 58 A N E >> -AB 33 57A 21 5,-2.8 5,-0.8 -2,-0.4 4,-0.8 -0.862 16.9-162.6 -85.7 115.9 27.2 23.9 21.6 53 59 A V T 45S+ 0 0 53 -21,-3.1 -1,-0.1 -2,-0.7 -20,-0.1 0.832 82.4 59.9 -72.3 -37.2 29.1 26.8 23.1 54 60 A N T 45S+ 0 0 118 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.983 127.2 11.7 -47.2 -66.2 27.9 29.4 20.5 55 61 A N T 45S- 0 0 87 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.188 98.5-119.6-106.8 17.0 24.2 29.0 21.2 56 62 A N T <5 + 0 0 128 -4,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.836 62.4 152.5 47.9 41.6 24.4 27.0 24.5 57 63 A E E < -B 52 0A 114 -5,-0.8 -5,-2.8 1,-0.0 -1,-0.2 -0.840 47.7-115.7-108.7 135.0 22.4 24.2 22.8 58 64 A K E +B 51 0A 109 -2,-0.4 51,-0.5 -7,-0.2 2,-0.3 -0.279 43.1 167.1 -60.2 149.1 22.5 20.5 23.6 59 65 A C E -B 50 0A 4 -9,-1.3 -9,-2.2 49,-0.1 2,-0.5 -0.931 37.0-103.3-153.3 175.9 23.9 18.2 20.9 60 66 A I E -BC 49 107A 23 47,-1.7 47,-2.1 -2,-0.3 2,-0.7 -0.954 26.9-163.4-111.9 123.0 25.1 14.7 20.1 61 67 A I E -BC 48 106A 11 -13,-2.8 -13,-2.1 -2,-0.5 2,-0.6 -0.914 4.9-173.2-110.8 110.6 28.8 14.1 19.8 62 68 A K E -BC 47 105A 19 43,-2.2 43,-1.9 -2,-0.7 2,-0.6 -0.902 7.4-160.9-104.2 112.2 29.8 10.9 18.1 63 69 A I E -BC 46 104A 40 -17,-3.2 -17,-2.6 -2,-0.6 41,-0.2 -0.857 16.6-139.0 -98.1 119.2 33.6 10.3 18.2 64 70 A L E -B 45 0A 17 39,-1.8 -19,-0.3 -2,-0.6 3,-0.1 -0.519 7.9-127.0 -84.4 143.1 34.6 7.8 15.5 65 71 A K - 0 0 71 -21,-3.2 -1,-0.1 -2,-0.2 -22,-0.0 -0.520 51.7 -70.9 -82.0 154.2 37.2 5.0 16.0 66 72 A P S S+ 0 0 136 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.221 76.6 147.1 -49.7 123.4 40.1 4.7 13.6 67 73 A V - 0 0 68 -3,-0.1 5,-0.1 -23,-0.0 -3,-0.0 -0.974 50.6 -65.9-156.1 163.6 38.7 3.4 10.3 68 74 A K >> - 0 0 166 -2,-0.3 4,-1.3 1,-0.1 3,-0.6 -0.273 40.7-128.1 -60.3 138.9 39.0 3.6 6.4 69 75 A K H 3> S+ 0 0 150 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.776 103.8 60.6 -56.9 -35.6 38.3 7.0 4.8 70 76 A K H 3> S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 102.9 50.7 -64.6 -41.0 35.8 5.5 2.3 71 77 A K H <> S+ 0 0 41 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.894 111.0 49.5 -62.8 -41.2 33.4 4.2 5.0 72 78 A I H X S+ 0 0 22 -4,-1.3 4,-1.4 1,-0.2 -2,-0.2 0.830 111.9 46.9 -70.9 -32.3 33.4 7.6 6.7 73 79 A K H X S+ 0 0 38 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.853 109.3 55.9 -73.7 -34.1 32.7 9.5 3.5 74 80 A R H X S+ 0 0 32 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.958 108.1 46.4 -62.9 -50.1 29.9 7.1 2.6 75 81 A E H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.888 114.0 49.9 -61.0 -39.6 28.1 7.7 5.9 76 82 A I H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.938 109.8 48.8 -66.4 -46.8 28.5 11.4 5.5 77 83 A K H X S+ 0 0 34 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.879 113.2 48.8 -59.9 -39.5 27.2 11.5 1.9 78 84 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.931 108.4 51.9 -68.3 -45.3 24.2 9.4 2.9 79 85 A L H X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.2 12,-0.2 0.900 110.8 50.4 -57.2 -40.8 23.4 11.6 5.9 80 86 A Q H < S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 109.9 47.9 -64.6 -42.0 23.4 14.7 3.6 81 87 A N H < S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.795 117.3 43.7 -69.8 -29.5 21.1 13.2 1.0 82 88 A L H >< S+ 0 0 0 -4,-1.9 3,-2.5 -5,-0.1 -1,-0.2 0.665 80.5 128.6 -89.5 -18.7 18.6 12.1 3.7 83 89 A C T 3< S+ 0 0 66 -4,-1.5 7,-0.1 1,-0.3 6,-0.1 -0.094 76.9 18.6 -43.8 122.9 18.7 15.3 5.8 84 90 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.102 91.1 129.7 105.5 -21.5 15.2 16.5 6.4 85 91 A G S X S- 0 0 5 -3,-2.5 3,-1.5 1,-0.2 -1,-0.3 -0.185 72.9 -71.6 -67.7 160.2 13.3 13.2 5.7 86 92 A P T 3 S- 0 0 49 0, 0.0 -1,-0.2 0, 0.0 54,-0.2 -0.288 109.5 -11.7 -59.7 120.4 10.7 11.8 8.1 87 93 A N T 3 S+ 0 0 22 1,-0.2 80,-2.3 -3,-0.1 2,-0.4 0.611 95.4 135.0 72.8 16.6 12.3 10.3 11.3 88 94 A I B < -e 167 0B 2 -3,-1.5 -4,-0.3 78,-0.2 -1,-0.2 -0.827 61.0-107.7-101.3 134.6 15.9 10.4 10.2 89 95 A V - 0 0 7 78,-1.3 2,-0.6 -2,-0.4 -5,-0.1 -0.176 36.3-124.2 -51.3 146.2 18.6 11.7 12.5 90 96 A K - 0 0 63 18,-0.2 18,-2.1 -7,-0.1 2,-0.5 -0.885 8.1-145.7-110.0 118.1 20.1 15.1 11.4 91 97 A L E +D 107 0A 24 -2,-0.6 16,-0.2 -12,-0.2 3,-0.1 -0.642 22.9 173.5 -73.1 122.0 23.7 15.7 10.7 92 98 A L E - 0 0 112 14,-3.0 2,-0.3 -2,-0.5 15,-0.2 0.787 57.1 -14.0-101.5 -36.6 24.5 19.3 11.9 93 99 A D E -D 106 0A 39 13,-1.4 13,-2.3 -65,-0.0 2,-0.4 -0.961 53.3-136.8-161.7 164.2 28.3 19.8 11.6 94 100 A I E +D 105 0A 13 -2,-0.3 -66,-1.7 -68,-0.3 2,-0.3 -0.983 29.7 162.7-137.0 124.7 31.5 17.8 11.1 95 101 A V E -D 104 0A 8 9,-2.6 9,-3.0 -2,-0.4 2,-0.3 -0.836 14.8-160.8-136.3 171.6 34.7 18.4 13.0 96 102 A R E -D 103 0A 79 -68,-0.4 2,-0.3 7,-0.3 -66,-0.2 -0.998 30.7 -94.5-156.2 154.5 38.0 16.8 13.9 97 103 A D > - 0 0 56 5,-2.3 4,-1.4 -2,-0.3 -2,-0.0 -0.482 27.8-147.3 -66.3 127.1 41.0 16.8 16.3 98 104 A Q T 4 S+ 0 0 123 -2,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.977 94.3 41.1 -58.8 -55.7 43.9 18.9 14.9 99 105 A H T 4 S+ 0 0 177 1,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.932 136.3 14.2 -63.5 -52.1 46.7 16.8 16.5 100 106 A S T 4 S- 0 0 69 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.573 91.2-139.2-103.1 -10.7 45.3 13.3 15.9 101 107 A K < + 0 0 128 -4,-1.4 -3,-0.1 1,-0.2 -2,-0.0 0.797 39.2 161.7 58.5 32.2 42.6 14.2 13.4 102 108 A T - 0 0 53 -36,-0.0 -5,-2.3 1,-0.0 -1,-0.2 -0.717 34.1-132.3 -76.8 129.3 40.0 11.9 14.8 103 109 A P E - D 0 96A 26 0, 0.0 -39,-1.8 0, 0.0 2,-0.4 -0.408 17.9-160.2 -85.6 163.4 36.6 13.1 13.4 104 110 A S E -CD 63 95A 15 -9,-3.0 -9,-2.6 -41,-0.2 2,-0.5 -0.992 9.9-144.6-142.7 133.0 33.4 13.7 15.2 105 111 A L E -CD 62 94A 0 -43,-1.9 -43,-2.2 -2,-0.4 2,-0.5 -0.871 14.7-152.5 -97.8 127.4 29.9 14.0 13.8 106 112 A I E -CD 61 93A 2 -13,-2.3 -14,-3.0 -2,-0.5 -13,-1.4 -0.886 19.9-177.3-103.6 126.8 27.7 16.5 15.5 107 113 A F E -CD 60 91A 12 -47,-2.1 -47,-1.7 -2,-0.5 -16,-0.2 -0.775 37.6 -83.8-118.6 165.1 23.9 15.8 15.4 108 114 A E - 0 0 37 -18,-2.1 -18,-0.2 -2,-0.3 -49,-0.1 -0.400 67.5 -93.3 -51.8 140.0 20.6 17.2 16.4 109 115 A Y - 0 0 68 -51,-0.5 2,-0.4 -50,-0.1 -1,-0.1 -0.399 46.8-169.1 -65.2 140.1 20.2 16.2 20.1 110 116 A V - 0 0 28 -2,-0.1 2,-0.4 -3,-0.1 48,-0.1 -0.996 11.7-145.3-133.7 130.2 18.2 13.0 20.6 111 117 A N + 0 0 70 -2,-0.4 2,-0.3 46,-0.1 53,-0.1 -0.758 24.5 175.4 -94.7 143.4 16.9 11.6 23.8 112 118 A N - 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0 0 93 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.794 53.1-146.8-141.5 93.5 11.8 -12.9 23.2 224 230 A E S S+ 0 0 47 -2,-0.3 2,-0.1 1,-0.2 -9,-0.0 -0.957 85.5 25.3-118.4 122.8 14.8 -10.8 22.4 225 231 A P S S- 0 0 29 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.580 82.0-161.9 -79.2 155.7 16.5 -11.7 20.3 226 232 A F S S+ 0 0 14 -12,-0.3 2,-0.7 1,-0.2 -2,-0.1 0.951 85.8 36.5 -67.9 -53.8 13.9 -13.8 18.5 227 233 A F S S- 0 0 5 -37,-0.4 2,-0.9 2,-0.0 -1,-0.2 -0.901 83.3-167.6 -99.0 107.5 16.3 -16.0 16.4 228 234 A Y + 0 0 101 -2,-0.7 2,-0.3 -3,-0.2 -38,-0.0 -0.661 12.2 170.8-108.7 80.9 19.2 -16.5 18.9 229 235 A G - 0 0 0 -2,-0.9 6,-0.1 1,-0.1 3,-0.1 -0.680 32.0-151.8 -95.3 141.5 22.3 -18.0 17.2 230 236 A H S S+ 0 0 131 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.723 86.8 1.6 -78.3 -24.3 25.7 -18.4 18.7 231 237 A D S > S- 0 0 77 1,-0.1 4,-1.8 -42,-0.1 -1,-0.1 -0.903 90.6 -87.0-148.8 179.0 27.3 -18.1 15.2 232 238 A N H > S+ 0 0 69 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.885 125.7 48.6 -59.1 -44.8 26.2 -17.6 11.7 233 239 A H H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 110.5 51.5 -60.4 -45.6 25.6 -21.3 11.0 234 240 A D H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.849 104.8 59.4 -58.6 -35.0 23.6 -21.5 14.2 235 241 A Q H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.922 105.1 46.2 -62.6 -47.1 21.5 -18.6 13.1 236 242 A L H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.869 112.0 52.1 -65.5 -37.6 20.3 -20.3 9.9 237 243 A V H X S+ 0 0 13 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.946 107.6 52.2 -58.7 -49.6 19.5 -23.4 11.9 238 244 A K H < S+ 0 0 52 -4,-2.6 -2,-0.2 1,-0.2 4,-0.2 0.883 112.7 45.5 -56.5 -40.0 17.5 -21.3 14.3 239 245 A I H >X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-2.1 0.944 109.6 53.3 -68.6 -46.2 15.5 -19.8 11.4 240 246 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.3 -2,-0.2 0.810 99.9 62.2 -61.7 -32.9 14.9 -23.1 9.6 241 247 A K H 3< S+ 0 0 102 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.605 114.2 36.9 -65.8 -12.9 13.4 -24.7 12.8 242 248 A V H <4 S+ 0 0 15 -3,-2.1 31,-3.2 -4,-0.2 -2,-0.2 0.824 124.2 32.7-104.2 -54.8 10.7 -22.0 12.5 243 249 A L H < S- 0 0 25 -4,-2.2 4,-0.3 29,-0.2 29,-0.3 0.678 107.8-123.4 -79.6 -17.2 9.9 -21.4 8.8 244 250 A G X - 0 0 2 -4,-1.7 4,-0.7 -5,-0.4 27,-0.2 0.106 14.0 -97.1 86.6 155.8 10.6 -25.1 7.8 245 251 A T H > S+ 0 0 4 25,-3.0 4,-2.4 2,-0.2 5,-0.2 0.655 109.7 71.2 -87.6 -15.3 12.9 -26.6 5.2 246 252 A D H > S+ 0 0 103 24,-0.5 4,-2.3 1,-0.2 5,-0.2 0.960 101.6 45.4 -65.2 -47.6 10.5 -27.0 2.4 247 253 A G H > S+ 0 0 32 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.844 111.2 55.7 -59.2 -34.7 10.3 -23.2 1.8 248 254 A L H X S+ 0 0 2 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.937 108.1 46.2 -65.3 -47.2 14.1 -23.2 2.1 249 255 A N H X S+ 0 0 79 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.892 111.8 50.8 -64.9 -43.5 14.6 -25.7 -0.7 250 256 A V H X S+ 0 0 103 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.932 112.7 48.0 -53.4 -48.7 12.1 -24.0 -3.0 251 257 A Y H X S+ 0 0 7 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.890 111.6 49.3 -60.2 -45.1 14.0 -20.7 -2.3 252 258 A L H <>S+ 0 0 12 -4,-2.5 5,-2.9 1,-0.2 4,-0.3 0.814 111.3 49.2 -67.6 -32.9 17.4 -22.3 -3.0 253 259 A N H <5S+ 0 0 117 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.847 107.1 54.7 -78.4 -29.6 16.3 -23.9 -6.2 254 260 A K H <5S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 119.5 31.2 -70.8 -41.4 14.7 -20.7 -7.6 255 261 A Y T <5S- 0 0 43 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.459 112.3-123.0 -93.5 0.2 17.9 -18.6 -7.3 256 262 A R T 5 + 0 0 225 -4,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.956 54.6 156.2 57.9 56.0 19.9 -21.8 -7.9 257 263 A I < - 0 0 31 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.2 -0.830 26.6-159.7-106.6 148.8 21.9 -21.6 -4.6 258 264 A E - 0 0 177 -2,-0.3 2,-0.2 -60,-0.1 -5,-0.0 -0.979 12.1-137.2-134.1 122.5 23.5 -24.6 -3.0 259 265 A L - 0 0 21 -2,-0.4 -61,-0.1 1,-0.1 -2,-0.0 -0.501 29.3-108.3 -73.7 143.0 24.5 -24.8 0.7 260 266 A D > - 0 0 77 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.322 35.1-101.5 -70.6 157.0 27.8 -26.4 1.6 261 267 A P H > S+ 0 0 104 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.799 117.0 54.7 -51.6 -43.2 27.8 -29.8 3.3 262 268 A Q H > S+ 0 0 142 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.970 115.6 36.6 -56.7 -59.4 28.5 -28.6 6.8 263 269 A L H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 3,-0.2 0.938 116.9 52.6 -60.1 -51.8 25.6 -26.1 6.9 264 270 A E H X S+ 0 0 112 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.906 109.0 49.2 -52.4 -47.9 23.2 -28.4 4.9 265 271 A A H < S+ 0 0 82 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.871 113.8 48.2 -61.3 -36.4 23.8 -31.4 7.2 266 272 A L H < S+ 0 0 101 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.906 105.8 55.7 -70.0 -44.6 23.2 -29.1 10.2 267 273 A V H < S+ 0 0 7 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 82.5 163.8 -56.7 -44.3 20.0 -27.6 8.7 268 274 A G < - 0 0 38 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 -0.324 48.2 -43.7 64.7-141.2 18.5 -31.0 8.4 269 275 A R + 0 0 210 -2,-0.0 2,-0.3 -25,-0.0 -1,-0.1 -0.996 59.6 165.9-133.3 129.2 14.7 -31.3 7.8 270 276 A H - 0 0 62 -2,-0.4 -25,-3.0 -30,-0.1 -24,-0.5 -0.991 28.5-134.6-145.3 133.1 12.0 -29.4 9.7 271 277 A S - 0 0 99 -2,-0.3 -27,-0.3 -27,-0.2 -2,-0.0 -0.552 47.9 -84.4 -81.4 151.9 8.3 -28.8 9.1 272 278 A R - 0 0 132 -29,-0.3 -29,-0.2 -2,-0.2 -1,-0.1 -0.204 35.5-136.6 -56.9 143.0 7.1 -25.2 9.5 273 279 A K - 0 0 83 -31,-3.2 -1,-0.1 -3,-0.1 5,-0.1 -0.922 24.7-121.6-101.4 117.9 6.2 -24.0 13.0 274 280 A P > - 0 0 46 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.323 16.5-124.3 -63.7 134.0 2.9 -22.0 13.0 275 281 A W G > S+ 0 0 6 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.767 107.5 66.7 -46.9 -33.7 3.3 -18.4 14.4 276 282 A L G > S+ 0 0 111 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.781 85.0 69.8 -60.2 -32.2 0.6 -19.1 17.0 277 283 A K G < S+ 0 0 137 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.627 90.1 64.4 -62.0 -15.5 2.8 -21.7 18.8 278 284 A F G < S+ 0 0 33 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.550 78.9 104.7 -86.7 -8.3 5.0 -18.8 20.0 279 285 A M < + 0 0 85 -3,-1.7 2,-0.2 -4,-0.2 -58,-0.1 -0.570 42.8 155.8 -75.7 135.2 2.2 -17.2 22.1 280 286 A N >> - 0 0 80 -2,-0.3 3,-1.2 -59,-0.0 4,-1.2 -0.844 58.0 -82.3-144.7-178.6 2.4 -17.6 25.9 281 287 A A T 34 S+ 0 0 85 1,-0.3 4,-0.2 -2,-0.2 -2,-0.0 0.765 122.4 58.3 -62.4 -27.6 1.2 -15.9 29.1 282 288 A D T 34 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.697 121.6 22.1 -75.6 -19.4 4.1 -13.4 29.0 283 289 A N T X> S+ 0 0 1 -3,-1.2 3,-2.3 -62,-0.1 4,-1.0 0.313 85.4 110.8-131.8 4.6 3.2 -12.0 25.5 284 290 A Q T 3< S+ 0 0 120 -4,-1.2 3,-0.2 1,-0.3 -3,-0.1 0.769 74.8 61.5 -56.1 -29.0 -0.4 -12.8 25.1 285 291 A H T 34 S+ 0 0 121 -4,-0.2 -1,-0.3 1,-0.2 -161,-0.2 0.508 107.6 44.6 -78.5 -3.9 -1.4 -9.1 25.3 286 292 A L T <4 S+ 0 0 5 -3,-2.3 2,-0.6 -66,-0.3 -1,-0.2 0.645 89.9 92.4-109.9 -21.7 0.7 -8.3 22.2 287 293 A V < + 0 0 24 -4,-1.0 -1,-0.0 -3,-0.2 -163,-0.0 -0.684 45.4 159.2 -90.4 117.5 -0.2 -11.1 19.8 288 294 A S > - 0 0 28 -2,-0.6 4,-2.1 1,-0.1 5,-0.1 -0.845 50.4-112.5-127.6 164.0 -3.1 -10.5 17.3 289 295 A P H > S+ 0 0 110 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.844 118.2 50.6 -69.3 -30.9 -4.1 -12.1 14.0 290 296 A E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 27,-0.2 0.852 108.8 50.8 -69.0 -39.7 -3.3 -8.9 12.0 291 297 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.925 112.1 49.3 -63.2 -40.5 0.1 -8.7 13.7 292 298 A I H X S+ 0 0 28 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.877 110.6 48.5 -63.0 -43.6 0.5 -12.3 12.6 293 299 A D H X S+ 0 0 61 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.903 114.1 47.3 -66.6 -40.4 -0.6 -11.6 9.0 294 300 A F H >X S+ 0 0 0 -4,-2.6 3,-0.7 2,-0.2 4,-0.6 0.991 114.5 45.1 -60.2 -61.0 1.8 -8.6 8.9 295 301 A L H >X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-1.5 0.867 108.7 58.0 -49.0 -44.3 4.7 -10.5 10.4 296 302 A D H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.868 105.7 49.3 -59.0 -41.3 4.0 -13.5 8.1 297 303 A K H << S+ 0 0 64 -4,-1.5 10,-1.5 -3,-0.7 -1,-0.3 0.497 112.5 48.7 -74.6 -11.8 4.4 -11.4 5.0 298 304 A L H << S+ 0 0 0 -3,-1.5 2,-1.8 -4,-0.6 -2,-0.2 0.868 101.7 60.5 -92.9 -51.1 7.7 -9.9 6.2 299 305 A L S < S+ 0 0 3 -4,-2.4 2,-0.4 -86,-0.1 -1,-0.2 -0.534 72.3 137.4 -80.5 74.8 9.5 -13.1 7.2 300 306 A R - 0 0 74 -2,-1.8 6,-0.2 -3,-0.2 5,-0.1 -0.986 55.7-135.7-121.6 132.2 9.6 -14.9 3.8 301 307 A Y S S+ 0 0 17 -2,-0.4 2,-0.9 1,-0.1 -106,-0.2 0.929 92.5 72.5 -46.0 -54.0 12.7 -16.7 2.5 302 308 A D S >> S- 0 0 9 1,-0.2 3,-2.7 -3,-0.1 4,-1.0 -0.519 70.9-157.0 -74.4 102.7 12.3 -15.1 -1.0 303 309 A H T 34 S+ 0 0 3 -2,-0.9 -1,-0.2 1,-0.3 3,-0.2 0.756 92.8 62.3 -49.2 -25.9 13.2 -11.5 -0.7 304 310 A Q T 34 S+ 0 0 51 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.676 100.9 50.7 -76.8 -17.0 11.0 -11.0 -3.9 305 311 A E T <4 S+ 0 0 108 -3,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.700 88.5 106.2 -88.6 -23.1 7.9 -12.1 -2.1 306 312 A R S < S- 0 0 6 -4,-1.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.266 79.6-101.5 -61.8 138.1 8.4 -9.7 0.9 307 313 A L - 0 0 25 -10,-1.5 2,-0.1 -13,-0.2 -1,-0.1 -0.247 34.5-123.0 -48.9 141.5 6.2 -6.6 1.4 308 314 A T > - 0 0 30 1,-0.1 4,-3.0 -304,-0.0 5,-0.2 -0.482 26.9-106.6 -77.5 161.4 7.8 -3.3 0.4 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -170,-0.2 0.862 122.9 48.9 -53.3 -39.2 8.0 -0.4 2.9 310 316 A L H > S+ 0 0 93 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.900 113.0 43.2 -71.6 -44.4 5.2 1.3 1.0 311 317 A E H >4 S+ 0 0 85 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.892 112.5 57.5 -65.3 -38.4 2.8 -1.8 0.8 312 318 A A H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.3 6,-0.2 0.849 101.3 53.4 -61.5 -38.2 3.7 -2.4 4.4 313 319 A M H 3< S+ 0 0 18 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.708 106.5 54.3 -70.1 -21.3 2.5 1.0 5.5 314 320 A T T << S+ 0 0 87 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.469 81.0 120.8 -92.2 -2.0 -0.9 0.4 3.8 315 321 A H S X S- 0 0 10 -3,-1.0 3,-1.7 -4,-0.4 4,-0.1 -0.285 75.0-121.0 -57.5 142.0 -1.4 -2.9 5.8 316 322 A P G > S+ 0 0 68 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.782 106.0 78.8 -60.5 -22.6 -4.6 -3.0 7.9 317 323 A Y G 3 S+ 0 0 2 1,-0.3 3,-0.3 -27,-0.2 4,-0.1 0.832 101.1 40.0 -49.4 -35.5 -2.4 -3.6 11.0 318 324 A F G X> S+ 0 0 0 -3,-1.7 4,-2.2 -6,-0.2 3,-0.7 0.294 80.3 116.4 -96.2 10.5 -1.7 0.2 10.9 319 325 A Q H <> S+ 0 0 116 -3,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.831 78.8 45.9 -53.9 -35.6 -5.2 1.3 9.9 320 326 A Q H 3> S+ 0 0 111 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.3 0.839 109.1 54.1 -76.1 -32.1 -5.7 3.3 13.2 321 327 A V H <> S+ 0 0 3 -3,-0.7 4,-1.0 2,-0.2 -2,-0.2 0.896 110.6 48.1 -65.9 -38.8 -2.3 4.9 13.1 322 328 A R H >X S+ 0 0 67 -4,-2.2 4,-2.0 1,-0.2 3,-0.7 0.930 109.3 51.5 -66.7 -45.6 -3.1 6.2 9.6 323 329 A A H 3< S+ 0 0 59 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.864 107.0 54.0 -63.5 -33.7 -6.5 7.5 10.6 324 330 A A H 3< S+ 0 0 57 -4,-1.9 -1,-0.3 1,-0.2 3,-0.2 0.787 108.6 50.6 -68.5 -27.1 -4.9 9.4 13.5 325 331 A E H << S+ 0 0 88 -4,-1.0 2,-2.3 -3,-0.7 -2,-0.2 0.850 94.6 71.8 -79.1 -34.7 -2.5 11.1 11.0 326 332 A N < 0 0 136 -4,-2.0 -1,-0.2 -5,-0.1 -4,-0.1 -0.320 360.0 360.0 -77.6 57.0 -5.3 12.1 8.7 327 333 A S 0 0 135 -2,-2.3 -3,-0.0 -3,-0.2 0, 0.0 -0.950 360.0 360.0-174.3 360.0 -6.5 14.8 11.1