==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-AUG-07 2R3L . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.O.FISCHMANN,A.W.HRUZA,V.M.MADISON,J.S.DUCA . 275 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 1 0 0 2 0 1 0 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 . 1 1 1 0 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 . 0 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 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 1 A M > 0 0 38 0, 0.0 3,-1.8 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -22.9 -13.4 32.1 -2.0 2 2 A E T 3 + 0 0 149 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.641 360.0 71.6 -66.7 -12.7 -13.2 31.9 -5.8 3 3 A N T 3 S+ 0 0 65 20,-0.1 21,-1.7 21,-0.1 22,-0.5 0.348 93.4 73.5 -80.6 2.9 -10.9 35.0 -5.7 4 4 A F E < -A 23 0A 23 -3,-1.8 2,-0.6 19,-0.2 19,-0.2 -0.975 62.7-157.0-127.4 137.6 -8.3 32.6 -4.3 5 5 A Q E -A 22 0A 90 17,-2.3 17,-2.5 -2,-0.4 2,-0.2 -0.941 25.3-133.7-110.0 116.4 -6.1 29.9 -5.7 6 6 A K E +A 21 0A 106 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.480 24.0 179.3 -68.7 137.4 -4.8 27.5 -3.1 7 7 A V E - 0 0 58 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.785 60.4 -33.6-105.2 -47.3 -1.1 26.7 -3.4 8 8 A E E -A 20 0A 110 12,-1.4 12,-3.4 0, 0.0 -1,-0.4 -0.959 58.8 -95.9-171.0 155.4 -0.6 24.2 -0.5 9 9 A K E -A 19 0A 94 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.616 29.7-172.8 -76.4 135.2 -1.8 23.3 3.0 10 10 A I E - 0 0 69 8,-2.7 2,-0.2 1,-0.4 9,-0.2 0.071 59.2 -47.1-118.0 22.5 0.5 24.8 5.6 11 11 A G E -A 18 0A 31 7,-0.5 7,-2.0 2,-0.0 2,-0.6 -0.756 59.0 -84.1 138.2 175.4 -0.9 23.1 8.6 12 12 A E E -A 17 0A 154 -2,-0.2 5,-0.2 5,-0.2 7,-0.0 -0.885 42.2-156.6-121.8 97.6 -4.1 22.3 10.5 13 13 A G - 0 0 27 3,-1.0 5,-0.1 -2,-0.6 -2,-0.0 0.158 33.8 -97.2 -57.9-174.6 -5.2 25.2 12.7 14 14 A T S S+ 0 0 90 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.838 120.3 23.7 -77.5 -35.0 -7.5 24.7 15.7 15 15 A Y S S- 0 0 91 1,-0.3 2,-0.3 20,-0.0 -1,-0.1 0.810 133.3 -11.8 -99.7 -40.8 -10.7 25.6 13.8 16 16 A G S S- 0 0 16 19,-0.2 -3,-1.0 0, 0.0 -1,-0.3 -0.881 79.8 -74.3-149.6-178.8 -9.8 24.9 10.2 17 17 A V E -A 12 0A 31 17,-0.3 17,-2.3 -2,-0.3 2,-0.4 -0.496 39.5-137.1 -83.3 152.1 -7.0 24.1 7.8 18 18 A V E -AB 11 33A 25 -7,-2.0 -8,-2.7 15,-0.2 -7,-0.5 -0.934 21.4-172.5-112.1 134.6 -4.6 26.8 6.8 19 19 A Y E -AB 9 32A 60 13,-2.5 13,-3.3 -2,-0.4 2,-0.4 -0.950 27.8-127.0-124.7 149.9 -3.5 27.2 3.2 20 20 A K E +AB 8 31A 46 -12,-3.4 -13,-3.3 -2,-0.4 -12,-1.4 -0.784 48.3 171.8 -86.9 131.6 -0.9 29.3 1.4 21 21 A A E -AB 6 30A 0 9,-2.9 9,-2.7 -2,-0.4 2,-0.4 -0.949 32.8-126.2-142.1 164.3 -3.0 30.9 -1.4 22 22 A R E -AB 5 29A 94 -17,-2.5 -17,-2.3 -2,-0.3 2,-1.2 -0.952 24.3-125.0-115.1 131.8 -2.8 33.6 -4.1 23 23 A N E > -A 4 0A 25 5,-3.5 4,-3.0 -2,-0.4 5,-0.2 -0.642 22.3-147.9 -73.7 98.0 -5.2 36.4 -4.5 24 24 A K T 4 S+ 0 0 130 -21,-1.7 -1,-0.2 -2,-1.2 -20,-0.1 0.676 92.5 35.6 -39.7 -25.7 -6.3 35.8 -8.1 25 25 A L T 4 S+ 0 0 131 -22,-0.5 -1,-0.2 3,-0.1 -2,-0.1 0.903 123.8 32.8 -96.1 -67.1 -6.8 39.5 -8.5 26 26 A T T 4 S- 0 0 98 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.772 94.8-129.2 -64.7 -26.8 -4.2 41.4 -6.5 27 27 A G < + 0 0 46 -4,-3.0 -3,-0.1 1,-0.3 -1,-0.1 0.335 56.4 152.9 90.0 -4.4 -1.5 38.8 -7.0 28 28 A E - 0 0 91 -5,-0.2 -5,-3.5 -6,-0.1 2,-0.5 -0.264 42.7-138.7 -60.7 138.6 -1.0 38.8 -3.2 29 29 A V E +B 22 0A 58 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.888 38.1 162.1-101.5 126.3 0.3 35.7 -1.5 30 30 A V E -BC 21 74A 0 -9,-2.7 -9,-2.9 -2,-0.5 2,-0.6 -0.881 44.3-107.5-137.7 172.1 -1.6 35.1 1.7 31 31 A A E -BC 20 73A 11 42,-2.9 42,-3.2 -2,-0.3 2,-0.6 -0.926 34.6-159.0-104.8 123.9 -2.4 32.5 4.4 32 32 A L E -BC 19 72A 7 -13,-3.3 -13,-2.5 -2,-0.6 2,-0.6 -0.902 4.1-164.3-110.1 118.8 -6.1 31.5 4.1 33 33 A K E -BC 18 71A 2 38,-3.1 38,-2.8 -2,-0.6 2,-0.6 -0.907 4.8-157.3-104.8 121.2 -7.7 30.0 7.1 34 34 A K E C 0 70A 83 -17,-2.3 -17,-0.3 -2,-0.6 36,-0.2 -0.871 360.0 360.0 -98.0 117.6 -11.0 28.1 6.5 35 35 A I 0 0 69 34,-2.8 34,-0.5 -2,-0.6 -19,-0.2 -0.643 360.0 360.0 -85.6 360.0 -13.0 28.0 9.8 36 ! 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 37 44 A V 0 0 69 0, 0.0 31,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 129.3 -21.7 31.3 11.7 38 45 A P > - 0 0 90 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.316 360.0-136.5 -57.7 131.1 -22.5 32.8 15.1 39 46 A S H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.842 105.9 57.8 -56.8 -35.6 -23.1 36.6 14.9 40 47 A T H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.894 105.4 49.3 -64.1 -38.7 -21.0 37.0 18.0 41 48 A A H > S+ 0 0 34 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.928 109.9 52.0 -65.0 -43.9 -18.0 35.3 16.3 42 49 A I H X S+ 0 0 40 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.923 113.2 43.4 -57.4 -49.3 -18.5 37.6 13.3 43 50 A R H X S+ 0 0 151 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.916 115.2 48.7 -64.4 -44.8 -18.4 40.7 15.4 44 51 A E H X S+ 0 0 90 -4,-2.6 4,-1.4 1,-0.2 3,-0.4 0.933 112.1 48.0 -61.8 -48.0 -15.5 39.5 17.6 45 52 A I H X S+ 0 0 15 -4,-3.0 4,-0.9 1,-0.2 3,-0.2 0.888 106.6 58.9 -60.3 -38.8 -13.4 38.5 14.6 46 53 A S H < S+ 0 0 47 -4,-2.0 3,-0.4 -5,-0.3 4,-0.3 0.845 103.1 52.2 -61.3 -33.7 -14.1 41.9 13.0 47 54 A L H >< S+ 0 0 108 -4,-1.4 3,-1.7 -3,-0.4 4,-0.3 0.852 100.5 60.8 -71.6 -33.8 -12.6 43.7 15.9 48 55 A L H >< S+ 0 0 15 -4,-1.4 3,-1.2 1,-0.3 11,-0.3 0.775 91.4 70.8 -63.4 -24.2 -9.4 41.6 15.7 49 56 A K T 3< S+ 0 0 63 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.737 97.5 49.2 -63.6 -24.1 -9.0 43.1 12.2 50 57 A E T < S+ 0 0 157 -3,-1.7 2,-1.5 -4,-0.3 -1,-0.3 0.478 84.0 98.3 -94.3 -4.7 -8.2 46.5 13.8 51 58 A L < + 0 0 17 -3,-1.2 2,-0.4 -4,-0.3 8,-0.2 -0.646 55.4 168.9 -87.7 82.3 -5.6 45.1 16.2 52 59 A N + 0 0 80 -2,-1.5 5,-0.1 6,-0.1 6,-0.1 -0.848 6.3 145.0-105.4 129.4 -2.5 45.9 14.2 53 60 A H > - 0 0 43 -2,-0.4 3,-2.2 3,-0.4 54,-0.0 -0.982 55.8-110.9-157.0 150.0 1.2 45.7 15.5 54 61 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.728 118.4 46.0 -55.2 -28.7 4.6 44.8 14.0 55 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.133 98.7 80.7-107.2 23.5 4.7 41.5 16.1 56 63 A I B < S-e 136 0B 12 -3,-2.2 -3,-0.4 79,-0.3 81,-0.2 -0.996 87.9-112.8-126.3 127.0 1.1 40.4 15.4 57 64 A V - 0 0 12 79,-2.9 2,-0.3 -2,-0.4 81,-0.1 -0.390 41.8-114.4 -58.1 125.5 0.3 38.6 12.1 58 65 A K - 0 0 67 -2,-0.1 16,-2.4 -4,-0.1 2,-0.9 -0.503 15.3-144.0 -69.1 128.2 -2.0 41.0 10.1 59 66 A L E -D 73 0A 11 -2,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.824 22.8-178.0 -91.1 106.3 -5.5 39.8 9.6 60 67 A L E - 0 0 41 12,-2.2 2,-0.3 -2,-0.9 13,-0.2 0.898 55.4 -3.5 -75.3 -46.2 -6.2 41.2 6.1 61 68 A D E -D 72 0A 94 11,-1.7 11,-3.3 2,-0.0 2,-0.5 -0.998 49.6-145.7-153.9 150.5 -9.7 40.2 5.4 62 69 A V E -D 71 0A 26 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.973 18.9-165.6-118.3 122.1 -12.7 38.4 6.8 63 70 A I E +D 70 0A 34 7,-2.8 7,-2.4 -2,-0.5 2,-0.7 -0.918 10.7 177.6-117.2 108.3 -14.9 36.6 4.3 64 71 A H E +D 69 0A 75 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.921 28.1 137.5-108.5 104.1 -18.3 35.4 5.4 65 72 A T E > +D 68 0A 67 3,-1.5 3,-2.5 -2,-0.7 -2,-0.1 -0.989 60.1 19.0-146.4 149.3 -20.0 33.9 2.4 66 73 A E T 3 S- 0 0 185 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.863 129.7 -67.3 58.5 32.4 -22.0 30.8 1.7 67 74 A N T 3 S+ 0 0 136 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.699 114.9 124.9 59.0 17.7 -22.5 30.8 5.5 68 75 A K E < - D 0 65A 43 -3,-2.5 -3,-1.5 -31,-0.0 2,-0.4 -0.703 54.1-143.4-106.4 157.8 -18.8 30.0 5.5 69 76 A L E + D 0 64A 9 -34,-0.5 -34,-2.8 -2,-0.3 2,-0.4 -0.968 18.8 174.0-129.2 119.7 -16.0 31.9 7.2 70 77 A Y E -CD 34 63A 28 -7,-2.4 -7,-2.8 -2,-0.4 2,-0.5 -0.967 16.3-153.1-121.6 140.7 -12.5 32.4 5.8 71 78 A L E -CD 33 62A 1 -38,-2.8 -38,-3.1 -2,-0.4 2,-0.6 -0.942 6.6-154.2-115.2 127.6 -9.8 34.5 7.4 72 79 A V E +CD 32 61A 5 -11,-3.3 -12,-2.2 -2,-0.5 -11,-1.7 -0.916 20.2 178.6-104.7 116.8 -7.2 36.0 5.1 73 80 A F E -CD 31 59A 23 -42,-3.2 -42,-2.9 -2,-0.6 -14,-0.2 -0.838 37.4 -95.0-114.2 157.7 -3.8 36.7 6.9 74 81 A E E -C 30 0A 49 -16,-2.4 2,-0.4 -2,-0.3 -44,-0.2 -0.317 50.5-116.6 -61.2 149.1 -0.5 38.1 5.7 75 82 A F - 0 0 39 -46,-0.6 2,-0.4 -54,-0.1 -1,-0.1 -0.782 28.6-172.2 -99.2 133.1 1.8 35.2 4.8 76 83 A L - 0 0 16 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.968 21.3-137.0-118.8 145.2 5.1 34.4 6.6 77 84 A H S S+ 0 0 109 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.712 75.9 23.7 -76.0 -27.7 7.5 31.7 5.3 78 85 A Q E -F 128 0B 13 50,-1.2 50,-2.6 199,-0.1 2,-0.2 -0.978 60.6-143.1-140.9 156.7 8.5 29.8 8.5 79 86 A D E > -F 127 0B 46 -2,-0.3 4,-2.2 48,-0.3 48,-0.2 -0.717 31.9-110.8-112.1 165.1 7.4 29.1 12.0 80 87 A L H > S+ 0 0 0 46,-2.6 4,-2.9 43,-1.1 44,-0.2 0.828 114.2 59.2 -66.4 -31.6 9.5 28.8 15.2 81 88 A K H > S+ 0 0 95 42,-0.7 4,-2.3 45,-0.3 -1,-0.2 0.956 110.1 42.6 -60.3 -48.8 8.9 25.1 15.5 82 89 A K H > S+ 0 0 124 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.919 114.4 51.5 -63.0 -42.5 10.5 24.5 12.1 83 90 A F H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.910 109.8 49.4 -62.5 -40.3 13.3 27.0 12.8 84 91 A M H < S+ 0 0 19 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.895 112.1 48.1 -66.6 -38.7 14.0 25.3 16.2 85 92 A D H >< S+ 0 0 105 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.926 112.0 49.7 -65.9 -43.1 14.2 21.9 14.4 86 93 A A H 3< S+ 0 0 78 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.804 115.1 44.3 -63.3 -30.5 16.5 23.4 11.8 87 94 A S T 3X S+ 0 0 17 -4,-1.7 4,-3.7 -5,-0.2 3,-0.3 0.247 81.1 111.3 -97.2 7.4 18.7 24.9 14.5 88 95 A A T <4 S+ 0 0 48 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.715 72.1 53.6 -56.6 -30.0 18.7 21.7 16.7 89 96 A L T 4 S+ 0 0 165 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.904 129.5 13.0 -73.8 -44.6 22.4 20.9 16.1 90 97 A T T 4 S- 0 0 117 -3,-0.3 -2,-0.2 1,-0.0 -1,-0.1 0.632 103.4-130.4-105.2 -26.1 23.9 24.2 17.2 91 98 A G < - 0 0 11 -4,-3.7 -3,-0.1 -7,-0.2 85,-0.1 0.163 37.3 -62.8 85.5 152.6 20.9 25.8 18.8 92 99 A I - 0 0 13 83,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.544 64.8-103.7 -69.2 133.9 19.6 29.3 18.2 93 100 A P >> - 0 0 82 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.296 26.8-118.7 -59.4 141.7 22.2 31.9 19.1 94 101 A L H 3> S+ 0 0 70 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.868 112.7 56.6 -49.2 -44.6 21.4 33.7 22.4 95 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 174,-0.4 0.862 110.1 45.9 -59.6 -33.4 21.2 37.1 20.8 96 103 A L H <> S+ 0 0 7 -3,-1.1 4,-2.8 2,-0.2 5,-0.2 0.904 110.8 51.9 -76.1 -39.1 18.4 35.8 18.5 97 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.948 112.6 47.2 -57.3 -47.5 16.6 34.1 21.3 98 105 A K H X S+ 0 0 14 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.930 111.8 49.3 -62.9 -42.5 16.7 37.4 23.2 99 106 A S H X S+ 0 0 4 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.930 113.0 47.0 -61.9 -47.1 15.5 39.4 20.2 100 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.937 112.7 49.1 -62.7 -46.2 12.6 37.0 19.6 101 108 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.0 49.6 -57.9 -45.0 11.6 36.9 23.3 102 109 A F H X S+ 0 0 53 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.941 112.2 46.7 -60.9 -45.4 11.7 40.8 23.3 103 110 A Q H X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.910 111.5 50.7 -65.1 -43.9 9.5 41.1 20.2 104 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.898 109.1 51.9 -61.6 -40.2 7.0 38.5 21.4 105 112 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.903 108.0 51.7 -62.6 -38.7 6.7 40.4 24.7 106 113 A Q H X S+ 0 0 69 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 111.3 48.7 -61.5 -42.7 6.0 43.6 22.7 107 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.922 114.4 44.3 -61.9 -47.4 3.3 41.7 20.8 108 115 A L H X S+ 0 0 0 -4,-2.9 4,-3.6 2,-0.2 5,-0.3 0.925 109.6 55.3 -63.8 -46.3 1.7 40.4 24.0 109 116 A A H X S+ 0 0 23 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.936 111.4 46.4 -54.7 -42.9 2.0 43.8 25.8 110 117 A F H X S+ 0 0 48 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.958 115.3 43.8 -62.5 -55.9 0.0 45.3 22.9 111 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.7 0.928 114.6 50.1 -55.8 -48.4 -2.6 42.6 22.8 112 119 A H H ><5S+ 0 0 28 -4,-3.6 3,-1.7 1,-0.3 -1,-0.2 0.837 104.3 57.5 -61.7 -35.1 -3.0 42.6 26.6 113 120 A S H 3<5S+ 0 0 72 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.793 108.3 49.2 -65.5 -25.9 -3.4 46.4 26.7 114 121 A H T <<5S- 0 0 86 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.173 120.7-111.7 -95.3 13.8 -6.3 45.9 24.3 115 122 A R T < 5S+ 0 0 206 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.798 74.1 136.7 60.1 32.3 -7.8 43.2 26.6 116 123 A V < - 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0 0 29 -3,-1.2 3,-0.0 -61,-0.4 -5,-0.0 -0.564 44.6-163.5 -76.0 141.9 -7.2 20.6 42.6 216 237 A K > - 0 0 107 -2,-0.2 3,-2.3 1,-0.1 -5,-0.1 -0.994 24.6-142.1-126.9 134.5 -7.1 17.4 44.7 217 238 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.775 102.0 69.1 -59.9 -24.6 -5.6 17.1 48.1 218 239 A S T 3 + 0 0 105 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.445 68.9 122.6 -78.2 0.6 -4.3 13.7 46.9 219 240 A F S < S- 0 0 13 -3,-2.3 -19,-0.0 1,-0.1 -4,-0.0 -0.393 73.9-104.5 -59.3 140.2 -1.8 15.3 44.4 220 241 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.290 29.5-124.6 -65.3 149.4 1.7 14.1 45.2 221 242 A K + 0 0 153 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.853 34.4 179.5-103.1 104.4 3.9 16.6 46.9 222 243 A W - 0 0 95 -2,-0.8 -22,-2.4 -27,-0.0 2,-0.1 -0.771 25.1-121.6-101.2 148.3 7.1 17.2 44.9 223 244 A A - 0 0 86 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.2 -0.452 34.1-100.8 -84.5 157.0 9.9 19.6 45.9 224 245 A R B -H 198 0C 117 -26,-0.3 -26,-0.2 -2,-0.1 2,-0.2 -0.565 30.6-136.7 -78.4 146.1 11.0 22.4 43.5 225 246 A Q - 0 0 37 -28,-3.3 2,-0.3 -2,-0.2 -1,-0.0 -0.653 25.1-103.0 -98.5 157.7 14.1 22.1 41.3 226 247 A D >> - 0 0 118 -2,-0.2 3,-1.9 1,-0.1 4,-1.1 -0.593 20.6-132.4 -80.8 139.6 16.8 24.9 40.8 227 248 A F H 3> S+ 0 0 21 -2,-0.3 4,-2.8 1,-0.3 -1,-0.1 0.738 105.3 70.5 -60.5 -25.4 16.6 26.7 37.5 228 249 A S H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.831 105.1 40.9 -62.4 -28.6 20.3 26.2 37.1 229 250 A K H <4 S+ 0 0 141 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.745 115.7 52.2 -84.2 -29.6 19.4 22.5 36.5 230 251 A V H < S+ 0 0 28 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.894 123.2 17.4 -78.4 -42.2 16.3 23.4 34.4 231 252 A V S >< S- 0 0 0 -4,-2.8 3,-2.9 3,-0.1 -1,-0.2 -0.097 85.2-166.7-129.7 43.1 17.8 25.7 31.7 232 253 A P T 3 + 0 0 68 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.388 70.0 26.6 -60.9 141.8 21.6 25.5 31.6 233 254 A P T 3 S+ 0 0 121 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.778 87.0 119.9-107.4 35.7 23.4 27.4 30.3 234 255 A L < - 0 0 6 -3,-2.9 -3,-0.1 1,-0.1 -61,-0.0 -0.332 64.1-117.5 -58.4 134.1 21.1 30.4 30.5 235 256 A D > - 0 0 60 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.119 29.2 -96.0 -69.8 169.9 22.7 33.2 32.5 236 257 A E H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.808 123.2 54.2 -60.3 -34.6 21.3 34.6 35.8 237 258 A D H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.933 112.3 44.7 -64.0 -49.0 19.4 37.5 34.1 238 259 A G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.913 114.6 48.6 -60.2 -43.6 17.6 35.0 31.8 239 260 A R H X S+ 0 0 55 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.906 110.4 51.3 -65.0 -41.2 16.9 32.5 34.7 240 261 A S H X S+ 0 0 41 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.958 112.8 45.5 -63.0 -42.8 15.5 35.3 36.9 241 262 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.939 113.4 50.0 -63.6 -45.9 13.2 36.5 34.1 242 263 A L H X S+ 0 0 1 -4,-2.9 4,-1.4 1,-0.2 3,-0.2 0.924 107.2 53.7 -58.2 -48.3 12.1 32.9 33.3 243 264 A S H < S+ 0 0 30 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.903 109.5 49.3 -55.4 -39.7 11.4 32.2 37.0 244 265 A Q H >< S+ 0 0 58 -4,-1.8 10,-1.5 1,-0.2 3,-1.0 0.851 108.9 51.3 -67.7 -36.3 9.1 35.3 37.0 245 266 A M H 3< S+ 0 0 0 -4,-1.9 -76,-0.3 1,-0.2 -1,-0.2 0.688 112.4 49.0 -73.7 -18.1 7.3 34.2 33.9 246 267 A L T 3< S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.125 75.7 139.4-110.4 21.0 6.7 30.8 35.5 247 268 A H < - 0 0 73 -3,-1.0 6,-0.2 1,-0.1 -3,-0.1 -0.382 52.1-137.5 -62.7 138.3 5.3 32.0 38.9 248 269 A Y S S+ 0 0 13 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.942 87.1 73.7 -62.5 -52.4 2.4 29.7 39.9 249 270 A D S >> S- 0 0 12 -44,-0.5 3,-2.2 1,-0.2 4,-1.9 -0.568 74.7-150.2 -68.0 112.9 0.2 32.5 41.2 250 271 A P T 34 S+ 0 0 16 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.789 97.9 57.2 -53.5 -29.2 -1.1 34.3 38.0 251 272 A N T 34 S+ 0 0 138 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.671 110.8 42.7 -77.0 -18.4 -1.3 37.5 40.0 252 273 A K T <4 S+ 0 0 137 -3,-2.2 -1,-0.2 2,-0.1 3,-0.1 0.659 89.0 107.0 -94.1 -29.0 2.4 37.3 40.9 253 274 A R S < S- 0 0 13 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.309 83.0-100.7 -53.2 136.7 3.5 36.2 37.3 254 275 A I - 0 0 20 -10,-1.5 2,-0.1 -13,-0.2 -1,-0.1 -0.222 34.5-124.5 -61.3 144.9 5.3 39.1 35.5 255 276 A S > - 0 0 64 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.470 20.8-113.4 -84.0 164.7 3.4 41.1 33.0 256 277 A A H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -147,-0.1 0.950 118.5 51.0 -61.5 -46.1 4.5 41.5 29.4 257 278 A K H > S+ 0 0 165 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.924 112.8 44.5 -57.6 -45.1 5.1 45.2 30.0 258 279 A A H >4 S+ 0 0 49 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.881 108.5 57.7 -68.3 -37.7 7.2 44.6 33.1 259 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.854 96.7 63.4 -60.8 -34.2 9.2 41.8 31.5 260 281 A L H 3< S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.810 102.6 50.4 -60.9 -27.4 10.2 44.3 28.7 261 282 A A T << S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.436 83.4 123.3 -89.7 -3.3 12.1 46.3 31.5 262 283 A H S X S- 0 0 18 -3,-1.6 3,-2.2 -4,-0.3 4,-0.1 -0.317 74.5-117.7 -62.3 143.8 13.9 43.3 32.9 263 284 A P G > S+ 0 0 80 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.716 106.8 78.0 -52.9 -26.4 17.7 43.5 33.0 264 285 A F G 3 S+ 0 0 2 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.795 94.1 50.0 -53.4 -31.2 17.9 40.6 30.5 265 286 A F G X S+ 0 0 12 -3,-2.2 3,-1.6 -6,-0.2 -1,-0.3 0.316 75.4 104.2 -94.8 10.0 17.1 42.9 27.7 266 287 A Q T < S+ 0 0 169 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.853 93.6 33.0 -59.7 -34.0 19.6 45.6 28.5 267 288 A D T 3 S+ 0 0 92 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.082 85.9 147.3-110.3 23.7 21.7 44.4 25.6 268 289 A V < + 0 0 43 -3,-1.6 2,-0.2 -170,-0.1 -172,-0.1 -0.276 17.6 170.3 -61.7 145.2 19.0 43.3 23.2 269 290 A T - 0 0 84 -174,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.786 37.1-109.8-139.5-177.4 19.7 43.7 19.5 270 291 A K - 0 0 126 -2,-0.2 -174,-0.1 -171,-0.0 -137,-0.1 -0.707 37.3-176.8-126.9 82.8 18.0 42.5 16.3 271 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.301 27.0-118.7 -73.2 162.3 20.0 39.8 14.5 272 293 A V - 0 0 103 -140,-0.0 2,-0.1 -2,-0.0 -141,-0.1 -0.868 26.7-135.3-103.7 128.6 19.0 38.3 11.2 273 294 A P - 0 0 10 0, 0.0 2,-0.8 0, 0.0 -141,-0.1 -0.466 17.5-117.3 -77.2 159.6 18.3 34.5 11.2 274 295 A H - 0 0 147 -2,-0.1 2,-0.5 2,-0.0 -144,-0.0 -0.878 41.4-172.4 -98.9 109.2 19.7 32.3 8.5 275 296 A L - 0 0 11 -2,-0.8 2,-0.7 -145,-0.1 -192,-0.0 -0.922 21.4-158.5-110.1 135.1 16.6 30.9 6.9 276 297 A R 0 0 177 -2,-0.5 -2,-0.0 0, 0.0 -190,-0.0 -0.941 360.0 360.0-108.6 108.7 16.3 28.2 4.3 277 298 A L 0 0 137 -2,-0.7 -199,-0.1 -199,-0.0 -200,-0.0 -0.685 360.0 360.0-100.5 360.0 13.0 28.6 2.5