==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-JAN-12 3VBT . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LIU . 267 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 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 . 50 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 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 . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 0 1 2 0 2 1 1 0 0 0 0 0 0 0 1 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 2 1 1 1 0 3 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 . 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 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 35 A E 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.9 -32.3 -27.3 -9.3 2 36 A S + 0 0 103 3,-0.1 22,-0.1 1,-0.1 3,-0.0 0.377 360.0 77.5-105.5 -8.0 -35.5 -29.3 -9.9 3 37 A Q S S+ 0 0 77 21,-0.1 21,-1.7 1,-0.1 22,-0.5 0.647 100.8 40.1 -70.7 -13.0 -33.3 -31.9 -11.5 4 38 A Y E S-A 23 0A 16 19,-0.2 2,-0.6 20,-0.1 19,-0.2 -0.989 72.3-138.0-135.1 144.7 -32.3 -33.1 -8.0 5 39 A Q E -A 22 0A 124 17,-3.0 17,-1.6 -2,-0.3 2,-0.3 -0.910 26.1-138.2-101.8 124.4 -34.0 -33.6 -4.7 6 40 A V E +A 21 0A 89 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.598 24.0 178.2 -83.7 131.7 -31.9 -32.4 -1.7 7 41 A G E - 0 0 30 13,-4.2 3,-0.1 -2,-0.3 -1,-0.1 -0.258 43.9 -31.6-108.8-155.7 -31.7 -34.4 1.5 8 42 A P E - 0 0 92 0, 0.0 12,-2.6 0, 0.0 2,-0.3 -0.181 68.4 -98.2 -57.4 149.8 -29.9 -33.9 4.8 9 43 A L E -A 19 0A 90 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.561 32.4-164.7 -66.7 126.8 -26.5 -32.2 5.1 10 44 A L E - 0 0 98 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.853 59.5 -40.3 -83.3 -39.5 -23.8 -34.9 5.2 11 45 A G E -A 18 0A 25 7,-1.4 7,-2.9 2,-0.0 -1,-0.4 -0.967 47.6-150.1-174.6 163.1 -20.9 -32.7 6.3 12 46 A S E +A 17 0A 78 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.982 38.1 108.3-144.8 155.6 -19.3 -29.4 5.9 13 47 A G E > S-A 16 0A 45 3,-2.0 3,-2.2 -2,-0.3 -2,-0.0 -0.926 86.8 -28.9 171.1-150.8 -15.7 -28.3 6.3 14 48 A G T 3 S+ 0 0 96 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 0.630 131.3 62.5 -70.1 -13.2 -12.8 -27.1 4.0 15 49 A F T 3 S- 0 0 71 1,-0.3 -1,-0.3 20,-0.0 2,-0.3 0.334 113.9-117.1 -82.9 -0.4 -14.4 -29.3 1.2 16 50 A G E < -A 13 0A 18 -3,-2.2 -3,-2.0 17,-0.1 2,-0.5 -0.714 50.3 -41.7 96.6-151.7 -17.6 -27.2 1.3 17 51 A S E -AB 12 34A 43 17,-1.8 17,-2.7 -2,-0.3 2,-0.5 -0.989 55.4-162.7-121.5 126.8 -21.1 -28.4 2.3 18 52 A V E -AB 11 33A 19 -7,-2.9 -8,-3.1 -2,-0.5 -7,-1.4 -0.966 5.8-165.9-117.3 126.4 -22.1 -31.8 1.0 19 53 A Y E -AB 9 32A 74 13,-3.0 13,-3.1 -2,-0.5 -10,-0.2 -0.896 24.8-117.0-110.0 151.1 -25.8 -32.8 0.9 20 54 A S E + B 0 31A 18 -12,-2.6 -13,-4.2 -2,-0.4 2,-0.3 -0.496 49.5 166.8 -74.3 138.7 -27.4 -36.2 0.4 21 55 A G E -AB 6 30A 1 9,-2.5 9,-3.1 -15,-0.3 2,-0.4 -0.941 32.9-135.7-153.7 175.2 -29.5 -36.0 -2.7 22 56 A I E -AB 5 29A 46 -17,-1.6 -17,-3.0 -2,-0.3 2,-0.4 -0.990 24.0-125.5-144.1 122.2 -31.4 -38.0 -5.3 23 57 A R E >> -AB 4 28A 55 5,-2.8 4,-1.3 -2,-0.4 5,-0.6 -0.601 21.3-150.4 -72.4 120.2 -31.3 -37.5 -9.0 24 58 A V T 45S+ 0 0 76 -21,-1.7 3,-0.5 -2,-0.4 -1,-0.2 0.918 86.9 63.5 -65.8 -43.1 -35.0 -37.1 -9.9 25 59 A S T 45S- 0 0 92 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.845 131.1 -0.0 -50.4 -42.2 -34.8 -38.5 -13.5 26 60 A D T 45S- 0 0 81 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.152 94.8-112.2-135.7 25.0 -33.8 -42.0 -12.3 27 61 A N T <5 + 0 0 119 -4,-1.3 -3,-0.2 -3,-0.5 -2,-0.1 0.728 55.0 166.8 42.9 29.9 -33.6 -41.8 -8.4 28 62 A L E < -B 23 0A 62 -5,-0.6 -5,-2.8 -6,-0.1 -1,-0.2 -0.532 41.4-116.9 -66.1 128.7 -29.9 -42.3 -8.5 29 63 A P E +B 22 0A 39 0, 0.0 56,-0.9 0, 0.0 2,-0.3 -0.493 44.9 175.9 -60.7 141.1 -28.5 -41.5 -5.0 30 64 A V E -BC 21 84A 0 -9,-3.1 -9,-2.5 54,-0.2 2,-0.4 -0.907 31.2-135.9-136.6 169.3 -26.2 -38.5 -5.3 31 65 A A E -BC 20 83A 11 52,-2.0 52,-2.9 -2,-0.3 2,-0.6 -0.987 20.7-151.3-124.3 134.6 -24.1 -36.2 -3.0 32 66 A I E -BC 19 82A 7 -13,-3.1 -13,-3.0 -2,-0.4 2,-0.5 -0.954 10.9-163.9-113.7 110.2 -24.4 -32.5 -3.9 33 67 A K E -BC 18 81A 1 48,-2.7 48,-2.6 -2,-0.6 2,-0.5 -0.859 2.7-162.2 -98.4 130.8 -21.3 -30.5 -3.0 34 68 A H E -BC 17 80A 44 -17,-2.7 -17,-1.8 -2,-0.5 2,-0.4 -0.945 7.9-176.5-111.1 122.3 -21.4 -26.7 -2.8 35 69 A V E - C 0 79A 16 44,-2.6 44,-2.2 -2,-0.5 2,-0.2 -0.979 24.6-126.6-114.2 134.2 -18.1 -24.8 -2.9 36 70 A E E > - C 0 78A 122 -2,-0.4 3,-1.4 42,-0.2 4,-0.3 -0.564 16.9-131.5 -77.8 138.9 -18.0 -21.0 -2.5 37 71 A K G > S+ 0 0 41 40,-3.0 3,-1.2 1,-0.3 41,-0.1 0.829 104.5 52.9 -60.2 -36.4 -16.2 -19.2 -5.3 38 72 A D G 3 S+ 0 0 122 39,-0.4 -1,-0.3 1,-0.3 40,-0.1 0.543 103.0 60.0 -84.5 0.4 -14.0 -17.1 -3.1 39 73 A R G < S+ 0 0 177 -3,-1.4 2,-1.0 1,-0.1 -1,-0.3 0.442 83.4 96.0 -96.2 -6.2 -12.9 -20.2 -1.2 40 74 A I < + 0 0 26 -3,-1.2 3,-0.1 -4,-0.3 -1,-0.1 -0.757 43.5 171.4 -90.0 103.9 -11.5 -21.6 -4.4 41 75 A S + 0 0 103 -2,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.569 66.0 59.9 -77.2 -8.9 -7.8 -20.7 -4.6 42 76 A D + 0 0 62 109,-0.1 9,-3.4 -3,-0.1 10,-0.4 -0.941 59.5 173.2-143.6 113.9 -7.3 -23.0 -7.6 43 77 A W E +E 50 0B 64 -2,-0.4 2,-0.2 7,-0.3 5,-0.0 -0.859 4.0 164.6-128.5 144.7 -8.9 -22.9 -11.1 44 78 A G E E 49 0B 16 5,-2.4 5,-1.9 -2,-0.3 7,-0.1 -0.534 360.0 360.0-133.2-157.7 -8.4 -24.7 -14.4 45 79 A E 0 0 184 3,-0.2 3,-0.2 -2,-0.2 -2,-0.0 -0.991 360.0 360.0-158.3 360.0 -10.5 -25.0 -17.6 46 ! 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 47 84 A T 0 0 141 0, 0.0 2,-0.5 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 160.2 -14.5 -21.2 -19.4 48 85 A R + 0 0 157 -3,-0.2 -3,-0.2 -5,-0.0 -5,-0.0 -0.725 360.0 168.8 -93.7 120.1 -13.0 -21.2 -15.9 49 86 A V E -E 44 0B 9 -5,-1.9 -5,-2.4 -2,-0.5 2,-0.1 -0.798 43.0 -87.3-119.6 165.7 -13.9 -24.0 -13.4 50 87 A P E >> -E 43 0B 4 0, 0.0 4,-1.6 0, 0.0 3,-1.3 -0.485 38.6-117.7 -68.7 148.4 -12.4 -25.0 -10.0 51 88 A M H 3> S+ 0 0 25 -9,-3.4 4,-2.9 1,-0.3 5,-0.3 0.900 113.4 68.2 -52.8 -38.6 -9.4 -27.3 -10.3 52 89 A E H 3> S+ 0 0 19 -10,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.853 100.6 46.6 -52.0 -37.3 -11.5 -29.9 -8.4 53 90 A V H <> S+ 0 0 1 -3,-1.3 4,-2.6 2,-0.2 5,-0.3 0.915 111.3 52.2 -73.4 -41.3 -13.8 -30.2 -11.5 54 91 A V H X S+ 0 0 18 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.972 113.0 44.4 -55.1 -49.8 -10.9 -30.4 -13.8 55 92 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.940 112.7 50.3 -63.9 -49.4 -9.4 -33.2 -11.7 56 93 A L H X S+ 0 0 2 -4,-2.6 4,-1.2 -5,-0.3 13,-0.3 0.877 109.1 52.0 -58.5 -38.0 -12.7 -35.1 -11.3 57 94 A K H < S+ 0 0 134 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.890 108.8 52.6 -64.9 -34.9 -13.4 -35.0 -15.1 58 95 A K H < S+ 0 0 88 -4,-1.8 3,-0.3 -5,-0.3 -1,-0.2 0.859 120.2 31.2 -72.3 -29.3 -9.9 -36.4 -15.7 59 96 A V H < S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.455 93.6 91.3-103.0 1.7 -10.5 -39.4 -13.3 60 97 A S < + 0 0 21 -4,-1.2 2,-0.9 -3,-0.3 -1,-0.2 0.122 54.4 118.0 -92.4 24.1 -14.3 -39.9 -13.7 61 98 A S S S- 0 0 72 -3,-0.3 2,-2.0 1,-0.1 -1,-0.1 -0.749 89.6 -67.1 -90.4 88.2 -13.9 -42.5 -16.6 62 99 A G S S+ 0 0 52 -2,-0.9 2,-0.5 2,-0.1 -2,-0.1 -0.142 99.3 101.5 75.2 -50.2 -15.3 -46.0 -15.6 63 100 A F > - 0 0 73 -2,-2.0 3,-0.5 -4,-0.1 -2,-0.1 -0.691 60.0-151.7 -81.6 133.5 -13.1 -47.4 -12.8 64 101 A S T 3 + 0 0 50 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.038 68.8 97.5-103.2 18.0 -14.8 -46.9 -9.6 65 102 A G T 3 S+ 0 0 7 81,-0.1 82,-2.2 51,-0.1 2,-0.4 0.463 86.7 64.1 -78.7 -3.3 -12.2 -46.5 -6.8 66 103 A V B < S-f 147 0C 2 -3,-0.5 82,-0.1 80,-0.3 80,-0.1 -0.971 99.8-105.4-116.7 136.1 -12.7 -42.8 -7.3 67 104 A I - 0 0 3 80,-2.2 2,-0.4 -2,-0.4 -8,-0.1 -0.357 42.3-126.7 -48.8 127.9 -16.0 -40.9 -6.6 68 105 A R - 0 0 83 -4,-0.1 16,-2.3 -6,-0.1 2,-0.7 -0.711 6.3-139.1 -88.5 135.4 -17.5 -40.1 -10.0 69 106 A L E +D 83 0A 18 -2,-0.4 14,-0.2 -13,-0.3 3,-0.1 -0.860 22.3 179.5 -84.2 117.1 -18.5 -36.5 -11.0 70 107 A L E - 0 0 53 12,-2.5 2,-0.3 -2,-0.7 13,-0.2 0.720 61.4 -25.4 -92.7 -27.6 -21.8 -36.9 -12.7 71 108 A D E -D 82 0A 57 11,-1.3 11,-3.1 2,-0.0 -1,-0.4 -0.962 54.6-150.0-171.7 165.9 -22.4 -33.2 -13.4 72 109 A W E -D 81 0A 67 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.974 5.7-160.3-147.8 154.1 -21.6 -29.7 -12.2 73 110 A F E -D 80 0A 55 7,-3.1 7,-2.2 -2,-0.3 2,-0.4 -0.962 13.6-136.5-127.9 151.9 -23.4 -26.3 -12.2 74 111 A E E -D 79 0A 110 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.906 21.2-175.2-102.7 139.4 -22.1 -22.8 -11.8 75 112 A R - 0 0 122 3,-3.3 3,-0.2 -2,-0.4 -2,-0.0 -0.769 44.9 -96.8-119.5 173.5 -24.0 -20.4 -9.6 76 113 A P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.920 120.1 16.0 -65.6 -30.9 -23.2 -16.8 -9.2 77 114 A D S S+ 0 0 119 -40,-0.1 -40,-3.0 1,-0.0 -39,-0.4 0.395 128.7 21.9-117.3 11.6 -21.2 -17.4 -5.9 78 115 A S E -C 36 0A 19 -42,-0.3 -3,-3.3 -3,-0.2 2,-0.4 -0.964 65.1-120.3-159.0 164.7 -20.5 -21.1 -5.9 79 116 A F E -CD 35 74A 0 -44,-2.2 -44,-2.6 -2,-0.3 2,-0.5 -0.954 21.0-149.4-113.9 150.2 -20.2 -24.2 -7.9 80 117 A V E -CD 34 73A 11 -7,-2.2 -7,-3.1 -2,-0.4 2,-0.5 -0.960 10.7-163.4-118.8 127.2 -22.4 -27.2 -7.3 81 118 A L E -CD 33 72A 0 -48,-2.6 -48,-2.7 -2,-0.5 2,-0.6 -0.955 9.2-148.6-116.1 132.7 -20.9 -30.6 -8.1 82 119 A I E +CD 32 71A 2 -11,-3.1 -12,-2.5 -2,-0.5 -11,-1.3 -0.897 26.8 179.7-103.3 124.3 -23.1 -33.7 -8.4 83 120 A L E -CD 31 69A 13 -52,-2.9 -52,-2.0 -2,-0.6 -14,-0.2 -0.848 33.0 -92.2-124.1 156.5 -21.2 -36.7 -7.2 84 121 A E E -C 30 0A 40 -16,-2.3 -54,-0.2 -2,-0.3 -1,-0.1 -0.314 35.2-157.1 -52.2 147.5 -21.9 -40.5 -6.9 85 122 A R - 0 0 32 -56,-0.9 -1,-0.0 -55,-0.1 4,-0.0 -0.862 3.6-150.8-134.5 108.0 -23.3 -41.6 -3.6 86 123 A P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.322 28.1-119.5 -59.0 152.1 -22.8 -45.2 -2.5 87 124 A E S S+ 0 0 117 1,-0.3 2,-0.1 -58,-0.1 52,-0.1 -0.920 93.2 23.3-153.9 120.1 -25.6 -46.3 -0.2 88 125 A P S S+ 0 0 46 0, 0.0 52,-1.6 0, 0.0 53,-0.5 0.555 93.0 167.1 -71.0 153.4 -25.1 -47.3 2.7 89 126 A V E -G 139 0C 50 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.943 20.9-179.0-139.3 152.7 -21.8 -45.5 3.1 90 127 A Q E -G 138 0C 32 48,-1.5 48,-2.5 -2,-0.3 2,-0.1 -0.955 30.3-119.2-151.8 134.6 -19.4 -44.6 6.0 91 128 A D E > -G 137 0C 40 -2,-0.3 4,-2.7 46,-0.2 46,-0.2 -0.411 27.7-116.9 -76.4 156.0 -16.2 -42.7 5.7 92 129 A L H > S+ 0 0 0 44,-2.9 4,-2.5 41,-0.9 42,-0.2 0.842 113.1 59.0 -64.5 -27.8 -13.1 -44.6 6.9 93 130 A F H > S+ 0 0 82 40,-0.8 4,-2.5 43,-0.3 -1,-0.2 0.959 108.9 41.9 -67.9 -46.2 -12.5 -42.1 9.7 94 131 A D H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.933 112.9 55.2 -62.5 -44.0 -15.9 -42.8 11.3 95 132 A F H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.914 110.2 45.6 -56.9 -43.0 -15.5 -46.5 10.7 96 133 A I H X S+ 0 0 8 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.884 108.9 55.9 -68.4 -40.5 -12.1 -46.4 12.5 97 134 A T H < S+ 0 0 95 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.949 115.3 39.7 -54.2 -44.8 -13.6 -44.4 15.4 98 135 A E H < S+ 0 0 136 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.944 125.5 31.6 -70.4 -48.9 -16.3 -47.1 15.8 99 136 A R H < S- 0 0 120 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.2 0.484 93.2-144.6 -95.3 -2.5 -14.3 -50.2 15.4 100 137 A G < + 0 0 33 -4,-1.9 -1,-0.3 -5,-0.2 101,-0.3 -0.333 65.4 1.9 68.0-158.7 -10.8 -49.1 16.7 101 138 A A S S- 0 0 31 99,-0.3 2,-0.3 98,-0.1 98,-0.2 -0.246 86.4-120.8 -56.6 144.7 -7.7 -50.6 15.0 102 139 A L - 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0 0 18 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.415 33.9-132.1 -79.1 153.0 -2.3 -41.6 13.1 204 241 A P S S+ 0 0 18 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.848 83.2 39.0 -78.0 -29.0 1.3 -42.0 14.3 205 242 A F + 0 0 4 -36,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.936 43.4 168.9-127.0 137.0 2.4 -38.3 14.5 206 243 A E + 0 0 108 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.631 67.5 59.6-108.7 -32.3 0.5 -35.2 15.7 207 244 A H S > S- 0 0 110 1,-0.1 4,-2.0 -38,-0.1 3,-0.5 -0.724 81.7-120.0-106.3 146.9 3.4 -32.7 15.9 208 245 A D H > S+ 0 0 54 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.882 113.5 56.6 -41.6 -49.2 5.8 -31.4 13.3 209 246 A E H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 105.6 48.7 -58.3 -44.3 8.8 -32.8 15.3 210 247 A E H >>S+ 0 0 72 -3,-0.5 4,-2.0 2,-0.2 5,-0.6 0.895 112.2 50.0 -63.1 -38.7 7.4 -36.3 15.3 211 248 A I H <5S+ 0 0 1 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.970 113.4 45.2 -61.3 -56.0 6.9 -36.0 11.5 212 249 A I H <5S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.9 49.3 -49.6 -45.8 10.5 -34.7 11.0 213 250 A R H <5S- 0 0 174 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.825 88.2-162.1 -72.4 -30.5 11.9 -37.4 13.3 214 251 A G T <5 + 0 0 16 -4,-2.0 2,-0.5 -3,-0.3 -3,-0.1 0.755 31.6 150.6 57.5 25.8 9.9 -40.1 11.4 215 252 A Q < - 0 0 112 -5,-0.6 2,-0.7 2,-0.0 -1,-0.2 -0.792 34.5-150.2 -95.9 125.1 10.3 -42.6 14.3 216 253 A V - 0 0 5 -2,-0.5 2,-0.5 -3,-0.1 -11,-0.0 -0.867 12.6-171.7-104.8 118.3 7.3 -45.0 14.3 217 254 A F - 0 0 151 -2,-0.7 2,-0.6 -13,-0.2 -2,-0.0 -0.890 17.2-140.2-104.2 130.6 6.1 -46.5 17.6 218 255 A F + 0 0 24 -2,-0.5 4,-0.1 1,-0.1 -18,-0.0 -0.831 20.1 178.8 -92.8 124.2 3.4 -49.2 17.5 219 256 A R S S+ 0 0 110 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.592 70.6 50.9 -98.1 -19.6 0.8 -49.0 20.2 220 257 A Q S S- 0 0 96 0, 0.0 2,-0.5 0, 0.0 -21,-0.0 -0.839 102.2 -90.8-109.4 158.1 -1.2 -52.0 18.9 221 258 A R + 0 0 211 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.558 55.3 171.4 -64.3 118.6 0.0 -55.4 18.1 222 259 A V - 0 0 4 -2,-0.5 -4,-0.1 -4,-0.1 5,-0.1 -0.998 35.4-105.8-136.5 133.4 0.9 -55.3 14.3 223 260 A S > - 0 0 24 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.145 29.6-116.4 -55.4 149.4 2.7 -58.0 12.2 224 261 A S H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.801 114.6 54.5 -55.5 -35.4 6.3 -57.4 11.3 225 262 A E H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.888 110.2 46.6 -72.1 -35.2 5.5 -57.3 7.6 226 263 A C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.932 112.1 49.1 -71.8 -47.4 2.9 -54.6 8.2 227 264 A Q H X S+ 0 0 47 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.842 111.8 51.6 -56.3 -36.2 5.2 -52.6 10.4 228 265 A H H X S+ 0 0 105 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.959 108.8 48.6 -73.0 -44.8 7.9 -53.0 7.7 229 266 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.953 114.1 48.4 -51.9 -46.5 5.6 -51.8 4.8 230 267 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.925 111.2 47.7 -64.9 -44.6 4.6 -48.8 7.0 231 268 A R H < S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.2 53.1 -68.6 -36.0 8.2 -47.9 7.9 232 269 A W H >< S+ 0 0 76 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.960 109.5 46.2 -57.7 -53.7 9.1 -48.2 4.2 233 270 A C H 3< S+ 0 0 0 -4,-2.9 -41,-0.3 1,-0.3 -1,-0.2 0.796 113.1 53.7 -57.1 -29.1 6.3 -45.8 3.1 234 271 A L T 3< S+ 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.036 76.7 145.9-101.2 26.9 7.4 -43.5 5.9 235 272 A A < - 0 0 19 -3,-1.8 6,-0.1 1,-0.1 -21,-0.1 -0.448 51.3-134.6 -61.6 135.7 11.1 -43.3 4.9 236 273 A L S S+ 0 0 82 -23,-0.1 -62,-0.2 -22,-0.1 -1,-0.1 0.913 92.1 65.9 -56.5 -52.2 12.5 -39.9 5.7 237 274 A R S > S- 0 0 143 1,-0.2 3,-1.8 3,-0.1 4,-0.3 -0.631 82.9-140.0 -75.4 119.3 14.3 -39.6 2.3 238 275 A P G > S+ 0 0 25 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.869 101.4 54.4 -41.1 -44.1 11.6 -39.4 -0.5 239 276 A S G 3 S+ 0 0 75 1,-0.3 -2,-0.0 -3,-0.0 -3,-0.0 0.702 97.9 64.4 -75.5 -12.6 13.6 -41.6 -2.9 240 277 A D G < S+ 0 0 97 -3,-1.8 -1,-0.3 2,-0.1 -4,-0.1 0.437 84.5 98.5 -79.8 -5.6 13.8 -44.3 -0.2 241 278 A R S < S- 0 0 14 -3,-1.8 -8,-0.2 -4,-0.3 -9,-0.1 -0.556 82.6-102.6 -78.7 150.9 10.0 -44.8 -0.3 242 279 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.350 27.6-123.9 -66.7 147.5 8.4 -47.6 -2.4 243 280 A T > - 0 0 73 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.375 38.9 -97.7 -73.7 171.4 6.8 -47.0 -5.8 244 281 A F H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 127.9 53.8 -60.8 -38.5 3.1 -48.1 -6.0 245 282 A E H > S+ 0 0 138 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.896 107.6 48.9 -63.9 -44.0 4.3 -51.3 -7.7 246 283 A E H 4 S+ 0 0 82 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.867 110.7 50.7 -61.8 -39.9 6.7 -52.0 -4.8 247 284 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 6,-0.3 0.962 112.6 46.1 -62.4 -48.1 3.9 -51.4 -2.3 248 285 A Q H 3< S+ 0 0 9 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.654 113.5 49.6 -73.0 -12.1 1.6 -53.8 -4.1 249 286 A N T 3< S+ 0 0 100 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.387 83.9 118.0-100.0 -2.9 4.3 -56.4 -4.4 250 287 A H S X S- 0 0 10 -3,-1.4 3,-2.0 -4,-0.4 4,-0.3 -0.392 76.6-119.8 -62.1 143.2 5.2 -56.2 -0.8 251 288 A P G > S+ 0 0 74 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.863 113.4 60.6 -57.5 -31.8 4.7 -59.6 1.1 252 289 A W G 3 S+ 0 0 3 1,-0.3 -26,-0.1 -27,-0.3 -4,-0.1 0.788 101.6 55.5 -66.8 -20.2 2.2 -57.9 3.4 253 290 A M G X S+ 0 0 2 -3,-2.0 3,-0.6 -6,-0.3 -1,-0.3 0.415 82.3 114.1 -90.2 3.4 0.0 -57.1 0.4 254 291 A Q T < S+ 0 0 90 -3,-1.7 -5,-0.1 -4,-0.3 -146,-0.0 -0.362 73.1 19.1 -75.4 151.8 -0.3 -60.7 -1.0 255 292 A D T 3 S- 0 0 152 1,-0.2 -1,-0.2 -2,-0.1 -147,-0.1 0.851 78.6-171.8 66.5 35.0 -3.7 -62.5 -1.0 256 293 A V < - 0 0 40 -3,-0.6 -1,-0.2 -148,-0.1 2,-0.1 -0.333 24.2-116.1 -57.1 137.9 -5.9 -59.5 -0.8 257 294 A L - 0 0 28 -152,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.521 31.3-108.6 -63.4 143.6 -9.7 -60.2 -0.3 258 295 A L > - 0 0 108 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.382 33.9-109.2 -57.4 152.5 -12.0 -59.1 -3.1 259 296 A P H > S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.937 120.7 50.6 -58.4 -43.9 -14.1 -56.1 -2.1 260 297 A Q H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.902 109.4 49.0 -62.7 -42.6 -17.2 -58.3 -2.0 261 298 A E H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 109.6 56.8 -55.9 -39.5 -15.5 -61.0 0.2 262 299 A T H X>S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.6 0.868 105.8 46.6 -64.2 -41.9 -14.4 -58.1 2.4 263 300 A A H X>S+ 0 0 2 -4,-1.8 4,-1.4 -121,-0.3 5,-0.7 0.890 112.9 50.8 -70.7 -36.0 -17.9 -56.8 3.0 264 301 A E H <5S+ 0 0 130 -4,-1.8 4,-0.4 -5,-0.2 -2,-0.2 0.965 118.7 35.5 -66.9 -48.8 -19.2 -60.3 3.8 265 302 A I H <5S+ 0 0 102 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.852 137.1 14.3 -68.8 -38.7 -16.4 -61.1 6.3 266 303 A H H <5S+ 0 0 17 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.610 127.3 44.1-122.3 -23.0 -16.0 -57.7 7.9 267 304 A L T << 0 0 14 -4,-1.4 -3,-0.2 -5,-0.6 -4,-0.1 0.462 360.0 360.0-110.1 -2.3 -18.8 -55.4 7.1 268 305 A H < 0 0 212 -5,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 -0.171 360.0 360.0 51.7 360.0 -21.6 -58.0 7.7