==== 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 26-JUL-06 2IZT . COMPND 2 MOLECULE: CASEIN KINASE I ISOFORM GAMMA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.BUNKOCZI,E.SALAH,P.RELLOS,S.DAS,O.FEDOROV,P.SAVITSKY, . 296 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 1 0 0 0 1 1 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 1 1 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 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 37 A L 0 0 178 0, 0.0 8,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -49.8 54.3 -19.8 32.4 2 38 A M E -A 8 0A 70 6,-0.2 2,-0.5 21,-0.0 6,-0.2 -0.911 360.0-153.1-131.1 144.9 53.6 -16.2 33.7 3 39 A V E > S-A 7 0A 0 4,-3.2 4,-1.7 -2,-0.3 3,-0.4 -0.962 72.3 -40.9-112.9 114.6 52.3 -12.8 32.6 4 40 A G T 4 S- 0 0 28 66,-0.7 63,-0.0 -2,-0.5 65,-0.0 -0.220 109.0 -35.1 61.2-151.4 53.8 -9.9 34.5 5 41 A P T 4 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.880 134.5 10.6 -67.3 -37.3 54.2 -10.3 38.3 6 42 A N T 4 S+ 0 0 17 -3,-0.4 20,-2.8 2,-0.0 2,-0.6 0.316 89.3 104.5-136.6 -1.0 51.3 -12.4 39.2 7 43 A F E < -AB 3 25A 8 -4,-1.7 -4,-3.2 18,-0.2 2,-0.4 -0.858 49.4-155.7-105.3 120.1 49.2 -13.9 36.4 8 44 A R E -AB 2 24A 104 16,-3.0 16,-1.8 -2,-0.6 2,-0.4 -0.779 16.2-127.9 -94.2 135.0 49.7 -17.6 35.8 9 45 A V E - B 0 23A 23 -8,-3.2 14,-0.2 -2,-0.4 2,-0.1 -0.677 33.0-179.2 -85.2 134.2 49.0 -18.9 32.4 10 46 A G E - 0 0 23 12,-3.1 3,-0.1 -2,-0.4 13,-0.1 -0.371 33.2 -35.4-119.1-163.4 46.6 -21.9 32.1 11 47 A K E - 0 0 116 10,-0.2 11,-2.9 1,-0.1 2,-0.3 0.034 65.7 -94.4 -56.8 157.8 45.0 -24.2 29.6 12 48 A K E + B 0 21A 65 9,-0.2 9,-0.2 1,-0.2 -1,-0.1 -0.616 44.5 167.8 -70.1 129.7 43.9 -23.2 26.2 13 49 A I E + 0 0 55 7,-2.4 2,-0.3 -2,-0.3 8,-0.2 0.487 63.0 6.5-120.0 -14.9 40.2 -22.3 26.3 14 50 A G E B 0 20A 25 6,-1.8 6,-1.3 1,-0.1 -1,-0.3 -0.968 360.0 360.0-154.5 172.0 39.9 -20.7 22.8 15 51 A C 0 0 149 -2,-0.3 3,-0.2 4,-0.2 -1,-0.1 0.408 360.0 360.0-116.3 360.0 41.5 -19.8 19.5 16 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 54 A F 0 0 86 0, 0.0 2,-0.3 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 9.3 45.3 -13.9 15.6 18 55 A G - 0 0 32 -3,-0.2 2,-0.3 19,-0.2 19,-0.2 -0.953 360.0 -67.2 171.3-152.5 46.4 -16.0 18.7 19 56 A E E - C 0 36A 45 17,-0.7 17,-3.3 -2,-0.3 2,-0.5 -0.949 25.2-132.2-130.6 154.4 45.0 -18.0 21.6 20 57 A L E -BC 14 35A 52 -6,-1.3 -7,-2.4 -2,-0.3 -6,-1.8 -0.895 27.6-168.9-101.8 130.8 42.9 -17.4 24.7 21 58 A R E -BC 12 34A 56 13,-2.9 13,-2.5 -2,-0.5 2,-0.3 -0.882 26.4-117.1-114.6 145.4 44.2 -19.1 27.9 22 59 A L E - C 0 33A 15 -11,-2.9 -12,-3.1 -2,-0.4 2,-0.3 -0.659 42.9-174.6 -68.8 134.5 42.6 -19.6 31.2 23 60 A G E -BC 9 32A 2 9,-2.9 9,-3.2 -2,-0.3 2,-0.4 -0.905 18.4-147.6-128.7 163.3 44.7 -17.6 33.7 24 61 A K E -BC 8 31A 44 -16,-1.8 -16,-3.0 -2,-0.3 2,-0.8 -0.998 15.6-136.7-129.6 128.5 44.8 -17.2 37.5 25 62 A N E >> -BC 7 30A 22 5,-3.3 4,-1.9 -2,-0.4 5,-1.3 -0.808 20.4-165.2 -74.9 112.5 45.8 -14.1 39.4 26 63 A L T 45S+ 0 0 79 -20,-2.8 -1,-0.2 -2,-0.8 -19,-0.1 0.808 83.6 58.8 -72.8 -26.7 47.9 -15.8 42.0 27 64 A Y T 45S+ 0 0 168 -21,-0.5 -1,-0.2 1,-0.2 -20,-0.1 0.712 122.8 21.3 -77.9 -21.7 47.9 -12.7 44.2 28 65 A T T 45S- 0 0 71 -3,-0.4 -2,-0.2 -22,-0.2 -1,-0.2 0.480 98.8-122.9-123.7 -7.8 44.1 -12.6 44.4 29 66 A N T <5 + 0 0 105 -4,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.932 65.4 136.2 64.8 45.9 43.1 -16.2 43.7 30 67 A E E < -C 25 0A 112 -5,-1.3 -5,-3.3 0, 0.0 -1,-0.2 -0.982 55.0-122.0-128.1 138.1 40.9 -15.1 40.8 31 68 A Y E -C 24 0A 75 -2,-0.4 50,-0.5 -7,-0.2 -7,-0.3 -0.493 34.7-178.8 -79.0 150.2 40.6 -16.6 37.4 32 69 A V E -CD 23 80A 5 -9,-3.2 -9,-2.9 -2,-0.2 2,-0.4 -0.898 29.2-110.3-139.3 164.9 41.3 -14.4 34.4 33 70 A A E -CD 22 79A 6 46,-2.9 46,-2.4 -2,-0.3 2,-0.5 -0.846 25.8-162.6 -95.7 136.7 41.4 -14.5 30.6 34 71 A I E -CD 21 78A 0 -13,-2.5 -13,-2.9 -2,-0.4 2,-0.6 -0.937 0.1-164.5-124.6 105.7 44.8 -14.3 28.9 35 72 A K E -CD 20 77A 50 42,-2.9 42,-2.8 -2,-0.5 2,-0.3 -0.826 16.3-163.7 -89.3 121.6 44.7 -13.4 25.2 36 73 A L E -CD 19 76A 5 -17,-3.3 -17,-0.7 -2,-0.6 40,-0.2 -0.757 13.9-175.0-108.1 155.9 48.1 -14.3 23.7 37 74 A E E - D 0 75A 6 38,-1.7 38,-3.0 -2,-0.3 -19,-0.2 -0.925 32.7-112.2-148.9 123.6 49.6 -13.2 20.4 38 75 A P E > - D 0 74A 41 0, 0.0 3,-1.4 0, 0.0 36,-0.3 -0.284 19.6-136.0 -56.0 137.3 52.9 -14.4 19.0 39 76 A M T 3 S+ 0 0 87 34,-2.0 35,-0.1 1,-0.3 34,-0.0 0.779 105.8 63.5 -60.2 -31.2 55.4 -11.5 19.0 40 77 A K T 3 S+ 0 0 113 33,-0.4 -1,-0.3 3,-0.0 34,-0.1 0.284 72.2 139.5 -77.2 9.7 56.3 -12.7 15.5 41 78 A S < - 0 0 31 -3,-1.4 -4,-0.0 1,-0.2 -23,-0.0 -0.339 48.7-150.3 -53.0 130.1 52.8 -11.8 14.3 42 79 A R S S+ 0 0 132 1,-0.3 -1,-0.2 2,-0.0 -3,-0.0 0.676 94.5 30.5 -79.7 -18.3 53.2 -10.3 10.9 43 80 A A S S- 0 0 72 -26,-0.1 -1,-0.3 0, 0.0 -3,-0.0 -0.665 87.3-159.1-138.1 81.4 50.0 -8.2 11.6 44 81 A P + 0 0 79 0, 0.0 -5,-0.1 0, 0.0 -7,-0.0 -0.273 24.8 162.0 -64.6 143.0 49.7 -7.5 15.3 45 82 A Q > + 0 0 61 -28,-0.2 4,-2.3 3,-0.1 5,-0.2 0.415 54.8 85.4-127.0 -11.1 46.3 -6.6 16.9 46 83 A L H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.961 91.6 44.5 -70.3 -50.6 46.8 -7.3 20.6 47 84 A H H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.839 114.5 49.4 -59.3 -38.7 48.3 -3.9 21.6 48 85 A L H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 111.2 50.2 -70.6 -39.8 45.8 -1.9 19.6 49 86 A E H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.910 110.6 49.1 -55.9 -50.5 42.9 -3.9 21.1 50 87 A Y H X S+ 0 0 38 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.928 110.0 52.6 -52.5 -46.2 44.4 -3.2 24.6 51 88 A R H X S+ 0 0 127 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.897 110.3 47.4 -62.1 -39.7 44.6 0.5 23.6 52 89 A F H X S+ 0 0 27 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.868 109.4 53.7 -66.8 -39.5 40.9 0.4 22.6 53 90 A Y H X S+ 0 0 8 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.929 109.8 47.6 -59.1 -45.0 40.0 -1.4 25.8 54 91 A K H < S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.877 110.0 52.8 -60.5 -42.7 41.8 1.4 27.8 55 92 A Q H < S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 108.5 50.7 -59.9 -36.4 39.9 4.0 25.7 56 93 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.839 90.9 179.4 -70.4 -34.0 36.6 2.2 26.6 57 94 A G < - 0 0 37 -4,-1.8 2,-0.7 -5,-0.1 -1,-0.2 -0.282 49.8 -15.8 65.7-150.6 37.5 2.3 30.3 58 95 A S S S+ 0 0 115 -4,-0.1 2,-0.3 6,-0.1 -1,-0.1 -0.798 80.0 155.3 -93.4 111.8 35.1 0.9 32.8 59 96 A G > - 0 0 19 -2,-0.7 3,-1.7 3,-0.2 2,-0.3 -0.906 53.7 -85.8-130.4 160.4 31.7 0.5 31.3 60 97 A D T 3 S+ 0 0 110 -2,-0.3 55,-0.1 1,-0.3 -2,-0.0 -0.519 118.8 7.0 -60.6 123.7 28.7 -1.7 31.9 61 98 A G T 3 S+ 0 0 6 -2,-0.3 85,-1.9 1,-0.2 -1,-0.3 0.544 97.0 125.2 79.2 5.4 29.4 -4.9 30.0 62 99 A I < - 0 0 10 -3,-1.7 -1,-0.2 83,-0.2 -3,-0.2 -0.874 67.1-115.7 -93.3 128.3 33.0 -4.0 29.0 63 100 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 19,-0.0 -0.409 30.0-116.0 -60.7 130.2 35.5 -6.7 30.1 64 101 A Q - 0 0 104 -2,-0.1 16,-2.8 17,-0.1 2,-0.4 -0.461 26.4-146.8 -60.6 141.8 37.9 -5.4 32.7 65 102 A V E +E 79 0A 23 14,-0.3 14,-0.3 -2,-0.1 3,-0.1 -0.959 20.8 174.6-117.9 136.0 41.5 -5.4 31.5 66 103 A Y E - 0 0 88 12,-3.3 2,-0.3 -2,-0.4 13,-0.2 0.703 57.3 -2.6-113.9 -30.7 44.3 -6.0 34.0 67 104 A Y E -E 78 0A 57 11,-1.6 11,-3.0 2,-0.0 2,-0.4 -0.975 40.7-163.0-165.5 145.5 47.7 -6.2 32.2 68 105 A F E +E 77 0A 41 -2,-0.3 9,-0.2 9,-0.2 -3,-0.0 -0.955 43.7 120.3-132.1 122.3 49.3 -6.1 28.8 69 106 A G E -E 76 0A 3 7,-1.9 7,-3.4 -2,-0.4 2,-0.1 -0.982 60.5 -60.3-166.8 177.5 52.8 -7.4 28.7 70 107 A P E -E 75 0A 80 0, 0.0 -66,-0.7 0, 0.0 2,-0.3 -0.398 34.9-172.3 -69.9 145.7 55.3 -9.9 27.3 71 108 A C E > -E 74 0A 10 3,-4.0 3,-1.8 -34,-0.2 2,-0.5 -0.706 57.9 -70.9-140.4 88.4 54.7 -13.6 27.8 72 109 A G T 3 S- 0 0 72 -2,-0.3 -1,-0.1 1,-0.3 -69,-0.0 -0.535 119.0 -13.3 60.8-111.1 57.7 -15.7 26.7 73 110 A K T 3 S+ 0 0 182 -2,-0.5 -34,-2.0 -3,-0.1 -33,-0.4 0.115 132.4 74.6-106.0 19.3 57.6 -15.4 22.9 74 111 A Y E < S-DE 38 71A 80 -3,-1.8 -3,-4.0 -36,-0.3 2,-0.4 -0.855 76.5-127.0-116.6 162.5 54.0 -14.0 23.0 75 112 A N E -DE 37 70A 43 -38,-3.0 -38,-1.7 -2,-0.3 2,-0.4 -0.888 35.3-152.0-101.8 141.5 52.5 -10.7 24.0 76 113 A A E -DE 36 69A 0 -7,-3.4 -7,-1.9 -2,-0.4 2,-0.5 -0.891 19.1-165.6-120.6 142.0 49.7 -11.1 26.5 77 114 A M E -DE 35 68A 0 -42,-2.8 -42,-2.9 -2,-0.4 2,-0.5 -0.993 12.6-158.8-126.8 127.7 46.6 -9.3 27.5 78 115 A V E +DE 34 67A 0 -11,-3.0 -12,-3.3 -2,-0.5 -11,-1.6 -0.927 26.4 150.8-109.3 126.5 45.0 -10.2 30.7 79 116 A L E -DE 33 65A 11 -46,-2.4 -46,-2.9 -2,-0.5 -14,-0.3 -0.805 49.2 -56.2-145.3 178.7 41.4 -9.4 31.1 80 117 A E E -D 32 0A 35 -16,-2.8 2,-0.4 -2,-0.2 -48,-0.2 -0.440 51.1-122.9 -72.5 133.0 38.3 -10.4 32.9 81 118 A L - 0 0 8 -50,-0.5 54,-0.3 -2,-0.2 2,-0.2 -0.637 35.3-172.9 -79.9 126.2 37.2 -14.0 32.4 82 119 A L - 0 0 13 -2,-0.4 52,-0.2 1,-0.2 3,-0.1 -0.551 17.1-116.7-114.5 175.1 33.7 -14.2 30.9 83 120 A G - 0 0 12 50,-3.0 -1,-0.2 1,-0.3 52,-0.2 0.120 59.0 -28.6 -92.8-147.1 31.3 -17.0 30.3 84 121 A P - 0 0 7 0, 0.0 49,-2.7 0, 0.0 -1,-0.3 -0.265 61.3-116.7 -67.8 153.9 29.7 -18.4 27.1 85 122 A S B > -F 132 0B 7 47,-0.3 4,-2.8 -3,-0.1 47,-0.3 -0.419 30.0-105.8 -80.2 163.0 29.1 -16.3 24.0 86 123 A L H > S+ 0 0 0 45,-2.5 4,-3.0 42,-1.4 43,-0.2 0.787 123.8 54.8 -58.8 -32.0 25.6 -15.7 22.7 87 124 A E H > S+ 0 0 20 41,-0.7 4,-2.1 44,-0.3 -1,-0.2 0.879 107.8 46.7 -69.6 -40.4 26.5 -18.1 19.9 88 125 A D H > S+ 0 0 76 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.921 119.1 42.6 -64.2 -45.3 27.4 -20.9 22.3 89 126 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.891 107.9 59.3 -68.5 -40.4 24.2 -20.1 24.2 90 127 A F H <>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 6,-0.5 0.910 106.4 49.5 -50.8 -45.7 22.4 -19.8 20.9 91 128 A D H ><5S+ 0 0 73 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.808 107.5 52.6 -61.4 -39.2 23.4 -23.5 20.2 92 129 A L H 3<5S+ 0 0 63 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.729 106.5 55.1 -69.5 -24.4 22.3 -24.7 23.7 93 130 A C T ><5S- 0 0 12 -4,-1.6 3,-0.8 -3,-0.2 -1,-0.2 0.062 125.6-101.4 -98.1 25.4 18.9 -23.1 23.0 94 131 A D T < 5 - 0 0 140 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.786 67.6 -68.9 61.2 35.2 18.5 -25.1 19.7 95 132 A R T 3 - 0 0 46 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.225 34.1-109.3 -49.9 153.9 12.4 -16.2 22.3 99 136 A L H > S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.889 120.4 58.0 -56.7 -42.9 11.5 -12.6 21.5 100 137 A K H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.952 107.3 45.3 -56.3 -48.6 12.0 -11.9 25.3 101 138 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.947 116.0 46.6 -56.4 -44.8 15.6 -13.2 25.2 102 139 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.914 113.3 48.7 -69.0 -41.3 16.3 -11.2 22.0 103 140 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.884 111.9 48.5 -64.6 -39.7 14.7 -8.1 23.3 104 141 A M H X S+ 0 0 0 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.884 115.8 45.1 -69.2 -40.7 16.7 -8.3 26.6 105 142 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.903 115.0 47.7 -56.7 -49.3 19.8 -8.8 24.5 106 143 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.880 109.8 50.9 -66.5 -45.5 18.9 -6.0 22.1 107 144 A I H X S+ 0 0 19 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.958 116.8 42.7 -57.8 -51.6 18.1 -3.4 24.8 108 145 A Q H X S+ 0 0 14 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.887 114.5 48.3 -56.6 -45.8 21.4 -4.2 26.5 109 146 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.3 -1,-0.2 0.746 106.8 55.4 -86.7 -18.8 23.5 -4.3 23.3 110 147 A I H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.886 112.7 43.9 -69.6 -42.9 22.2 -1.0 22.0 111 148 A S H X S+ 0 0 40 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.3 0.899 112.9 52.0 -63.7 -42.3 23.2 0.5 25.2 112 149 A R H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.959 115.1 42.6 -57.6 -48.1 26.6 -1.4 24.9 113 150 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.898 110.4 55.3 -64.1 -46.8 27.0 0.0 21.4 114 151 A E H X S+ 0 0 54 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.926 110.2 47.8 -49.2 -47.0 25.8 3.5 22.5 115 152 A Y H X S+ 0 0 49 -4,-2.5 4,-0.9 2,-0.2 3,-0.3 0.935 109.5 50.6 -60.7 -51.2 28.6 3.4 25.1 116 153 A V H ><>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 3,-0.9 0.912 112.5 48.7 -51.8 -43.8 31.3 2.2 22.7 117 154 A H H ><5S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.765 103.0 61.1 -69.7 -28.4 30.2 5.1 20.5 118 155 A S H 3<5S+ 0 0 70 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.677 99.0 57.5 -68.6 -21.9 30.3 7.5 23.4 119 156 A K T <<5S- 0 0 80 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.018 124.4-104.9 -94.4 19.7 34.0 6.7 23.7 120 157 A N T < 5S+ 0 0 63 -3,-1.3 35,-1.7 1,-0.2 36,-1.0 0.641 83.4 122.4 66.9 17.3 34.6 7.8 20.1 121 158 A L E < -H 154 0C 0 -5,-1.7 2,-0.3 33,-0.3 33,-0.2 -0.852 50.2-153.6-110.6 145.4 34.9 4.2 18.9 122 159 A I E -H 153 0C 0 31,-3.1 31,-2.1 -2,-0.4 69,-0.1 -0.885 12.6-148.4-107.3 151.3 33.0 2.2 16.3 123 160 A Y - 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