==== 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 3VBX . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LIU . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 64.9 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 . 51 19.0 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 . 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 . 1 0.4 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 2 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 1 2 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 0 122 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.7 -32.7 -27.5 -9.1 2 36 A S + 0 0 109 3,-0.1 22,-0.1 1,-0.0 3,-0.0 0.487 360.0 69.0-106.9 -13.1 -35.6 -29.4 -10.4 3 37 A Q S S+ 0 0 89 1,-0.1 21,-2.4 21,-0.1 22,-0.6 0.711 105.9 40.7 -68.4 -20.5 -33.3 -32.2 -11.8 4 38 A Y E -A 23 0A 15 19,-0.2 2,-0.6 20,-0.1 19,-0.2 -0.977 69.4-137.4-134.5 137.8 -32.4 -33.3 -8.1 5 39 A Q E -A 22 0A 127 17,-2.8 17,-1.5 -2,-0.4 2,-0.4 -0.875 28.1-140.1 -87.8 128.5 -34.1 -33.7 -4.8 6 40 A V E +A 21 0A 95 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.719 24.5 178.9 -90.7 131.8 -32.0 -32.4 -1.9 7 41 A G E - 0 0 31 13,-4.4 3,-0.1 -2,-0.4 -1,-0.1 -0.180 41.7 -31.3-110.0-156.6 -31.8 -34.3 1.3 8 42 A P E - 0 0 97 0, 0.0 12,-2.7 0, 0.0 -1,-0.3 -0.221 66.5-101.0 -59.6 149.0 -30.0 -33.9 4.6 9 43 A L E -A 19 0A 88 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.515 30.3-164.4 -60.6 131.6 -26.6 -32.2 4.9 10 44 A L E - 0 0 104 8,-3.6 2,-0.3 1,-0.5 9,-0.2 0.727 60.5 -46.3 -88.7 -32.0 -23.9 -34.9 5.2 11 45 A G E -A 18 0A 28 7,-1.4 7,-2.9 2,-0.0 -1,-0.5 -0.947 48.2-146.1 174.9 164.0 -21.1 -32.7 6.4 12 46 A S E +A 17 0A 78 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.974 37.3 110.2-144.2 161.9 -19.4 -29.4 5.7 13 47 A G E > S-A 16 0A 46 3,-2.4 3,-2.2 -2,-0.3 -2,-0.0 -0.956 82.4 -21.4 168.4-151.0 -15.8 -28.2 6.0 14 48 A G T 3 S+ 0 0 98 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.685 133.8 54.6 -60.8 -17.0 -12.8 -27.2 3.9 15 49 A F T 3 S- 0 0 66 1,-0.3 2,-0.3 20,-0.0 -1,-0.3 0.458 115.8-114.6 -91.1 -5.4 -14.4 -29.1 1.0 16 50 A G E < -A 13 0A 13 -3,-2.2 -3,-2.4 19,-0.1 2,-0.5 -0.841 49.6 -40.6 108.2-146.0 -17.7 -27.2 1.2 17 51 A S E -AB 12 34A 40 17,-1.3 17,-2.5 -2,-0.3 2,-0.5 -0.996 54.2-162.2-129.2 127.5 -21.3 -28.4 2.2 18 52 A V E -AB 11 33A 24 -7,-2.9 -8,-3.6 -2,-0.5 -7,-1.4 -0.975 6.2-167.0-120.1 130.0 -22.3 -31.8 0.9 19 53 A Y E -AB 9 32A 73 13,-3.1 13,-2.8 -2,-0.5 -10,-0.2 -0.887 25.4-114.2-115.6 152.7 -25.9 -32.9 0.7 20 54 A S E + B 0 31A 18 -12,-2.7 -13,-4.4 -2,-0.4 2,-0.3 -0.502 48.0 168.8 -77.5 140.2 -27.6 -36.1 0.2 21 55 A G E -AB 6 30A 2 9,-2.4 9,-2.5 -15,-0.3 2,-0.4 -0.929 30.6-142.0-148.5 171.6 -29.5 -36.0 -3.0 22 56 A I E -AB 5 29A 57 -17,-1.5 -17,-2.8 -2,-0.3 2,-0.5 -0.983 23.9-126.0-142.0 130.6 -31.4 -38.1 -5.5 23 57 A R E >>> -AB 4 28A 54 5,-2.7 4,-1.5 -2,-0.4 3,-1.0 -0.671 19.4-150.1 -79.4 121.3 -31.4 -37.5 -9.3 24 58 A V T 345S+ 0 0 73 -21,-2.4 3,-0.3 -2,-0.5 -1,-0.2 0.911 87.9 66.7 -62.0 -42.7 -35.2 -37.3 -10.2 25 59 A S T 345S- 0 0 92 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.739 130.5 -3.5 -53.6 -28.0 -34.8 -38.7 -13.7 26 60 A D T <45S- 0 0 83 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.237 94.6-109.3-149.8 16.9 -33.8 -42.2 -12.4 27 61 A N T <5 + 0 0 122 -4,-1.5 -3,-0.2 -3,-0.3 -2,-0.1 0.706 55.5 169.7 48.8 28.4 -33.7 -42.0 -8.5 28 62 A L E < -B 23 0A 60 -5,-0.6 -5,-2.7 1,-0.1 -1,-0.2 -0.497 39.4-117.7 -63.1 125.3 -29.9 -42.3 -8.6 29 63 A P E +B 22 0A 40 0, 0.0 57,-1.0 0, 0.0 2,-0.3 -0.468 46.4 173.2 -62.0 132.1 -28.4 -41.6 -5.2 30 64 A V E -BC 21 85A 0 -9,-2.5 -9,-2.4 55,-0.2 2,-0.4 -0.932 31.3-135.6-136.3 164.7 -26.2 -38.5 -5.5 31 65 A A E -BC 20 84A 12 53,-2.2 53,-3.2 -2,-0.3 2,-0.6 -0.969 18.3-151.6-118.8 142.1 -24.2 -36.2 -3.3 32 66 A I E -BC 19 83A 7 -13,-2.8 -13,-3.1 -2,-0.4 2,-0.5 -0.974 13.0-167.7-122.0 111.1 -24.5 -32.5 -4.1 33 67 A K E -BC 18 82A 10 49,-2.7 49,-3.1 -2,-0.6 2,-0.6 -0.915 6.5-157.3-110.9 131.3 -21.5 -30.6 -3.1 34 68 A H E -BC 17 81A 42 -17,-2.5 -17,-1.3 -2,-0.5 2,-0.5 -0.902 7.0-171.7-111.6 121.8 -21.4 -26.8 -3.0 35 69 A V E - C 0 80A 11 45,-3.0 45,-2.5 -2,-0.6 2,-0.3 -0.963 21.9-129.9-114.4 127.2 -18.1 -25.0 -3.3 36 70 A E E > - C 0 79A 88 -2,-0.5 3,-1.3 43,-0.2 43,-0.3 -0.601 13.0-137.3 -73.9 133.4 -18.0 -21.2 -2.7 37 71 A K G > S+ 0 0 40 41,-2.9 3,-1.3 -2,-0.3 42,-0.1 0.861 102.1 51.2 -61.9 -38.2 -16.2 -19.4 -5.4 38 72 A D G 3 S+ 0 0 134 40,-0.4 -1,-0.3 1,-0.3 41,-0.1 0.580 104.8 58.2 -81.5 -2.2 -14.3 -17.1 -3.2 39 73 A R G < S+ 0 0 187 -3,-1.3 2,-0.6 1,-0.1 -1,-0.3 0.200 86.1 97.0-106.8 13.7 -13.0 -20.1 -1.1 40 74 A I < + 0 0 26 -3,-1.3 -1,-0.1 1,-0.1 3,-0.0 -0.888 44.0 175.9-108.1 107.9 -11.4 -21.6 -4.3 41 75 A S + 0 0 104 -2,-0.6 2,-0.5 1,-0.1 -1,-0.1 0.699 66.0 59.2 -75.7 -23.4 -7.6 -20.9 -4.7 42 76 A D + 0 0 64 110,-0.1 10,-2.9 113,-0.0 11,-0.4 -0.948 59.7 174.5-128.6 121.2 -7.2 -23.1 -7.8 43 77 A W E +E 51 0B 70 -2,-0.5 2,-0.2 8,-0.3 6,-0.0 -0.873 2.6 169.9-128.1 150.5 -8.8 -22.8 -11.2 44 78 A G E -E 50 0B 14 6,-2.8 6,-1.3 -2,-0.3 2,-0.3 -0.484 16.3-141.2-134.2-154.5 -8.5 -24.6 -14.6 45 79 A E E E 49 0B 134 4,-0.2 4,-0.2 -2,-0.2 -2,-0.0 -0.981 360.0 360.0-169.2 175.4 -10.4 -24.7 -17.8 46 80 A L 0 0 116 2,-0.8 9,-0.0 -2,-0.3 -2,-0.0 -0.926 360.0 360.0-128.8 360.0 -11.6 -26.9 -20.8 47 ! 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 48 84 A T 0 0 130 0, 0.0 -2,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.2 -14.5 -21.1 -19.4 49 85 A R E +E 45 0B 155 -4,-0.2 -4,-0.2 -6,-0.0 3,-0.0 -0.635 360.0 169.7 -92.4 127.7 -12.9 -21.2 -16.0 50 86 A V E -E 44 0B 0 -6,-1.3 -6,-2.8 -2,-0.3 25,-0.0 -0.813 44.0 -79.6-127.7 161.2 -13.8 -24.0 -13.4 51 87 A P E >> -E 43 0B 4 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.420 39.6-121.5 -57.9 144.1 -12.4 -25.1 -10.0 52 88 A M H 3> S+ 0 0 24 -10,-2.9 4,-2.7 1,-0.2 5,-0.3 0.907 114.4 67.5 -46.1 -40.2 -9.3 -27.3 -10.4 53 89 A E H 3> S+ 0 0 18 -11,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.888 100.0 46.9 -56.9 -38.4 -11.4 -29.8 -8.5 54 90 A V H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -1,-0.3 0.910 111.5 50.2 -71.0 -38.6 -13.8 -30.1 -11.5 55 91 A V H X S+ 0 0 17 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.953 113.7 45.9 -62.5 -42.3 -11.0 -30.4 -14.0 56 92 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.957 111.8 51.0 -67.5 -43.9 -9.4 -33.2 -12.0 57 93 A L H X S+ 0 0 4 -4,-2.5 4,-1.3 -5,-0.3 13,-0.3 0.883 108.0 52.6 -61.5 -40.4 -12.7 -35.0 -11.4 58 94 A K H < S+ 0 0 104 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.925 108.1 52.0 -64.0 -38.0 -13.5 -35.0 -15.2 59 95 A K H < S+ 0 0 92 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.809 118.2 35.4 -67.1 -30.1 -10.1 -36.5 -15.9 60 96 A V H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.512 95.4 89.5 -99.1 -2.3 -10.7 -39.4 -13.4 61 97 A S < + 0 0 18 -4,-1.3 2,-0.7 -3,-0.4 -1,-0.2 0.052 52.0 109.9 -92.6 30.9 -14.4 -39.9 -13.9 62 98 A S S S- 0 0 101 -3,-0.3 2,-1.7 2,-0.1 -1,-0.1 -0.856 93.9 -65.0-102.3 92.3 -14.5 -42.4 -16.8 63 99 A G S S+ 0 0 51 -2,-0.7 2,-0.7 2,-0.1 -2,-0.1 -0.232 96.0 107.4 83.2 -50.1 -15.7 -45.9 -15.5 64 100 A F > - 0 0 78 -2,-1.7 3,-0.6 1,-0.1 2,-0.1 -0.623 58.7-151.2 -77.2 124.9 -13.2 -47.3 -13.1 65 101 A S T 3 + 0 0 44 -2,-0.7 -1,-0.1 1,-0.2 53,-0.1 -0.008 68.8 98.1 -95.3 22.0 -14.9 -46.9 -9.9 66 102 A G T 3 S+ 0 0 6 -2,-0.1 82,-2.2 81,-0.1 2,-0.4 0.455 86.3 61.6 -81.7 -2.8 -12.3 -46.5 -7.1 67 103 A V B < S-f 148 0C 0 -3,-0.6 2,-0.3 80,-0.3 82,-0.1 -0.990 96.6-112.9-116.7 131.8 -13.0 -42.8 -7.4 68 104 A I - 0 0 6 80,-2.2 2,-0.2 -2,-0.4 -8,-0.1 -0.520 45.0-127.7 -55.6 127.1 -16.4 -41.1 -6.7 69 105 A R - 0 0 72 -2,-0.3 16,-1.8 -4,-0.1 2,-0.7 -0.570 2.3-127.6 -87.2 141.8 -17.5 -39.9 -10.3 70 106 A L E -D 84 0A 21 -13,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.811 26.0-179.0 -81.4 114.5 -18.6 -36.3 -11.1 71 107 A L E - 0 0 50 12,-3.1 2,-0.3 -2,-0.7 13,-0.2 0.732 63.2 -27.6 -85.6 -27.6 -21.9 -36.9 -12.9 72 108 A D E -D 83 0A 57 11,-1.4 11,-3.3 2,-0.0 -1,-0.4 -0.974 54.5-151.6-177.0 165.3 -22.5 -33.2 -13.6 73 109 A W E -D 82 0A 55 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.968 5.5-158.7-152.6 157.5 -21.8 -29.8 -12.3 74 110 A F E -D 81 0A 46 7,-2.6 7,-2.5 -2,-0.3 2,-0.4 -0.981 14.7-133.1-136.2 147.8 -23.5 -26.4 -12.4 75 111 A E E -D 80 0A 104 -2,-0.3 5,-0.2 5,-0.2 -25,-0.0 -0.867 22.2-175.0-103.0 140.7 -22.2 -22.9 -12.0 76 112 A R - 0 0 111 3,-3.2 3,-0.2 -2,-0.4 -39,-0.0 -0.758 43.6 -97.0-119.6 171.8 -24.0 -20.3 -9.8 77 113 A P S S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.901 120.3 14.7 -62.5 -36.3 -23.2 -16.7 -9.3 78 114 A D S S+ 0 0 125 1,-0.1 -41,-2.9 -41,-0.1 -40,-0.4 0.309 129.5 24.0-115.4 7.4 -21.2 -17.4 -6.1 79 115 A S E -C 36 0A 17 -43,-0.3 -3,-3.2 -3,-0.2 2,-0.4 -0.980 63.8-121.3-158.4 163.2 -20.6 -21.1 -6.1 80 116 A F E -CD 35 75A 0 -45,-2.5 -45,-3.0 -2,-0.3 2,-0.5 -0.946 21.1-150.3-112.5 152.9 -20.3 -24.2 -8.1 81 117 A V E -CD 34 74A 5 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.4 -0.974 9.9-163.0-126.0 123.6 -22.4 -27.2 -7.5 82 118 A L E -CD 33 73A 0 -49,-3.1 -49,-2.7 -2,-0.5 2,-0.7 -0.908 9.8-149.7-115.8 137.9 -21.1 -30.7 -8.2 83 119 A I E +CD 32 72A 2 -11,-3.3 -12,-3.1 -2,-0.4 -11,-1.4 -0.937 27.8 177.8-111.2 114.7 -23.2 -33.8 -8.5 84 120 A L E -CD 31 70A 15 -53,-3.2 -53,-2.2 -2,-0.7 -14,-0.2 -0.733 34.0 -92.2-115.2 162.0 -21.2 -36.7 -7.4 85 121 A E E -C 30 0A 46 -16,-1.8 -55,-0.2 -2,-0.3 -1,-0.1 -0.350 36.4-158.7 -63.6 150.0 -22.0 -40.4 -7.0 86 122 A R - 0 0 36 -57,-1.0 2,-0.1 -56,-0.1 4,-0.0 -0.893 5.5-148.5-139.8 110.4 -23.3 -41.6 -3.7 87 123 A P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.392 25.3-126.1 -65.4 150.3 -23.0 -45.2 -2.5 88 124 A E S S+ 0 0 119 1,-0.3 2,-0.1 -2,-0.1 52,-0.1 -0.924 92.7 27.4-151.2 118.4 -25.8 -46.2 -0.2 89 125 A P S S+ 0 0 47 0, 0.0 52,-1.5 0, 0.0 53,-0.6 0.579 93.1 157.3 -75.2 156.8 -25.2 -47.4 2.5 90 126 A V E -G 140 0C 57 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.930 24.4-176.4-146.6 157.0 -21.9 -45.7 2.9 91 127 A Q E -G 139 0C 40 48,-1.2 48,-2.5 -2,-0.3 2,-0.1 -0.916 31.8-117.1-156.3 135.2 -19.5 -44.6 5.8 92 128 A D E > -G 138 0C 39 -2,-0.3 4,-2.3 46,-0.2 46,-0.3 -0.380 29.3-115.8 -73.6 157.0 -16.3 -42.7 5.5 93 129 A L H > S+ 0 0 0 44,-3.2 4,-2.2 41,-0.8 42,-0.2 0.850 113.4 61.8 -69.1 -27.1 -13.2 -44.6 6.6 94 130 A F H > S+ 0 0 86 40,-1.2 4,-2.8 43,-0.4 -1,-0.2 0.985 108.5 42.0 -58.2 -48.4 -12.6 -42.1 9.4 95 131 A D H > S+ 0 0 72 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.901 112.0 55.3 -66.2 -39.6 -16.0 -43.0 11.1 96 132 A F H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.884 109.7 46.2 -59.1 -41.9 -15.5 -46.6 10.4 97 133 A I H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.908 108.5 55.7 -71.0 -41.0 -12.2 -46.5 12.2 98 134 A T H < S+ 0 0 95 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.963 116.0 39.4 -49.7 -47.1 -13.7 -44.5 15.1 99 135 A E H < S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.881 125.0 32.6 -72.7 -42.4 -16.3 -47.2 15.5 100 136 A R H < S- 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.2 0.642 91.6-148.3 -93.9 -15.5 -14.2 -50.4 15.0 101 137 A G < + 0 0 32 -4,-2.5 101,-0.3 -5,-0.2 -1,-0.2 -0.399 64.9 4.0 75.4-158.4 -10.8 -49.3 16.4 102 138 A A S S- 0 0 32 99,-0.4 2,-0.3 1,-0.1 98,-0.2 -0.312 87.8-121.5 -55.6 137.8 -7.6 -50.7 14.8 103 139 A L - 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0 0 15 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.369 32.1-131.6 -75.6 151.2 -2.4 -41.7 12.8 205 241 A P S S+ 0 0 14 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.854 85.0 46.8 -75.2 -31.3 1.2 -42.1 14.0 206 242 A F + 0 0 7 -36,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.912 42.4 165.3-121.3 137.1 2.2 -38.4 14.1 207 243 A E + 0 0 107 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.586 68.1 48.6-110.3 -21.0 0.5 -35.4 15.5 208 244 A H S >> S- 0 0 113 -38,-0.1 4,-1.9 1,-0.1 3,-0.6 -0.889 82.4-113.2-129.6 148.6 3.3 -32.7 15.5 209 245 A D H 3> S+ 0 0 50 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.845 114.1 59.0 -44.2 -43.8 5.8 -31.5 13.0 210 246 A E H 3> S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 105.5 46.5 -61.4 -43.8 8.7 -32.9 15.1 211 247 A E H <> S+ 0 0 76 -3,-0.6 4,-2.7 2,-0.2 5,-0.4 0.892 112.7 51.5 -60.6 -44.0 7.4 -36.5 15.0 212 248 A I H < S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.958 113.7 43.8 -58.6 -49.4 6.8 -36.1 11.2 213 249 A I H < S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.8 49.9 -65.8 -37.4 10.4 -34.9 10.7 214 250 A R H < S- 0 0 179 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.901 87.7-162.5 -73.2 -36.1 11.9 -37.5 13.0 215 251 A G < + 0 0 16 -4,-2.7 2,-0.4 1,-0.2 -3,-0.1 0.650 32.8 148.2 65.3 17.9 9.9 -40.2 11.1 216 252 A Q - 0 0 107 -5,-0.4 2,-0.6 2,-0.0 -1,-0.2 -0.684 36.2-149.9 -86.5 129.1 10.3 -42.7 14.0 217 253 A V - 0 0 3 -2,-0.4 2,-0.5 -3,-0.1 -11,-0.0 -0.929 12.8-170.5-109.9 123.5 7.3 -45.0 14.1 218 254 A F - 0 0 156 -2,-0.6 2,-0.6 -13,-0.2 -2,-0.0 -0.919 16.4-141.6-106.5 122.4 6.0 -46.5 17.3 219 255 A F - 0 0 24 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.844 17.7-178.2 -86.6 121.0 3.3 -49.2 17.1 220 256 A R S S+ 0 0 113 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.502 70.9 52.0 -91.9 -13.3 0.7 -49.0 19.9 221 257 A Q S S- 0 0 100 0, 0.0 2,-0.4 0, 0.0 -21,-0.0 -0.846 102.5 -91.1-118.9 160.8 -1.2 -52.0 18.6 222 258 A R + 0 0 211 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.566 56.4 171.6 -69.0 118.4 0.0 -55.5 17.8 223 259 A V - 0 0 5 -2,-0.4 -4,-0.1 -4,-0.1 5,-0.0 -0.999 35.2-103.7-133.9 134.5 0.9 -55.3 14.1 224 260 A S > - 0 0 14 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.104 27.6-117.6 -50.4 150.3 2.7 -58.0 12.0 225 261 A S H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.824 114.4 54.2 -59.8 -34.4 6.3 -57.4 11.1 226 262 A E H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.911 110.4 46.6 -71.2 -40.7 5.4 -57.4 7.3 227 263 A C H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 112.7 48.9 -66.0 -45.3 2.9 -54.7 7.8 228 264 A Q H X S+ 0 0 48 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.880 110.6 51.5 -58.5 -40.9 5.2 -52.6 10.0 229 265 A H H X S+ 0 0 107 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.959 111.0 47.6 -64.2 -47.3 8.0 -53.0 7.4 230 266 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.928 113.7 47.5 -57.0 -43.2 5.6 -51.8 4.6 231 267 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.929 113.0 48.3 -71.5 -42.9 4.5 -48.8 6.7 232 268 A R H < S+ 0 0 97 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.842 109.5 52.4 -67.3 -30.2 8.0 -47.9 7.5 233 269 A W H >< S+ 0 0 74 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.948 109.9 49.1 -66.2 -46.3 9.1 -48.2 3.9 234 270 A C H 3< S+ 0 0 0 -4,-2.7 -41,-0.3 1,-0.3 -2,-0.2 0.771 111.6 51.3 -58.0 -31.5 6.3 -45.8 2.9 235 271 A L T 3< S+ 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.056 76.8 146.7-100.0 26.7 7.4 -43.5 5.7 236 272 A A < - 0 0 19 -3,-1.8 6,-0.1 1,-0.1 -3,-0.1 -0.384 51.9-133.3 -56.6 136.2 11.1 -43.4 4.6 237 273 A L S S+ 0 0 85 -23,-0.1 -62,-0.2 -22,-0.1 -1,-0.1 0.888 92.7 66.3 -60.7 -44.1 12.5 -40.0 5.4 238 274 A R S > S- 0 0 148 1,-0.2 3,-1.8 -64,-0.1 4,-0.4 -0.721 83.4-138.8 -84.4 122.5 14.2 -39.6 2.0 239 275 A P G > S+ 0 0 23 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.880 101.8 53.6 -45.2 -43.5 11.4 -39.4 -0.8 240 276 A S G 3 S+ 0 0 74 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.682 97.8 62.9 -81.0 -7.5 13.4 -41.7 -3.1 241 277 A D G < S+ 0 0 97 -3,-1.8 -1,-0.3 -5,-0.1 -4,-0.1 0.576 85.4 98.7 -79.1 -9.4 13.8 -44.4 -0.5 242 278 A R S < S- 0 0 13 -3,-1.7 -8,-0.2 -4,-0.4 2,-0.1 -0.468 83.3-104.7 -75.4 151.5 9.9 -44.8 -0.6 243 279 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.378 26.9-122.1 -70.7 153.2 8.4 -47.6 -2.6 244 280 A T > - 0 0 75 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.367 38.3 -98.5 -80.0 176.3 6.7 -47.0 -6.0 245 281 A F H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.873 126.7 55.6 -68.2 -33.6 3.0 -48.2 -6.3 246 282 A E H > S+ 0 0 135 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.919 107.8 47.1 -65.3 -41.7 4.3 -51.3 -8.0 247 283 A E H 4 S+ 0 0 81 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.880 111.1 51.2 -70.4 -32.5 6.6 -52.1 -5.1 248 284 A I H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 6,-0.3 0.969 112.6 47.0 -63.3 -50.1 3.9 -51.5 -2.5 249 285 A Q H 3< S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.729 113.2 47.8 -66.9 -19.8 1.6 -53.8 -4.4 250 286 A N T 3< S+ 0 0 101 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.440 85.2 119.5 -94.4 -1.5 4.3 -56.4 -4.7 251 287 A H S X S- 0 0 10 -3,-1.5 3,-1.7 -4,-0.4 4,-0.4 -0.317 75.2-121.5 -62.4 143.9 5.1 -56.2 -1.0 252 288 A P G > S+ 0 0 91 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.842 111.6 60.3 -61.8 -25.6 4.6 -59.5 0.8 253 289 A W G 3 S+ 0 0 7 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.795 101.8 56.8 -68.9 -22.5 2.1 -58.0 3.2 254 290 A M G < S+ 0 0 1 -3,-1.7 3,-0.5 -6,-0.3 -1,-0.2 0.418 82.4 111.7 -85.8 0.9 -0.1 -57.1 0.1 255 291 A Q S < S+ 0 0 87 -3,-1.2 -5,-0.1 -4,-0.4 -146,-0.0 -0.377 72.0 21.8 -76.2 154.4 -0.4 -60.6 -1.3 256 292 A D S S- 0 0 152 1,-0.2 -1,-0.2 -2,-0.1 -147,-0.1 0.844 80.0-172.6 68.0 36.3 -3.8 -62.6 -1.3 257 293 A V - 0 0 37 -3,-0.5 2,-0.2 -148,-0.1 -1,-0.2 -0.285 24.6-116.4 -59.5 142.7 -6.0 -59.5 -1.0 258 294 A L - 0 0 28 -152,-0.4 -1,-0.1 1,-0.1 3,-0.0 -0.586 30.7-110.4 -70.2 149.6 -9.7 -60.2 -0.5 259 295 A L > - 0 0 109 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.382 33.3-107.3 -66.2 156.9 -12.0 -59.1 -3.4 260 296 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.942 119.2 50.9 -60.6 -43.7 -14.2 -56.2 -2.4 261 297 A Q H > S+ 0 0 82 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.892 110.7 47.2 -60.9 -42.9 -17.3 -58.4 -2.3 262 298 A E H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.822 109.9 56.6 -61.7 -35.5 -15.7 -61.0 -0.0 263 299 A T H X>S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.5 0.893 106.8 47.3 -65.0 -42.2 -14.5 -58.1 2.1 264 300 A A H X>S+ 0 0 2 -4,-2.3 4,-1.8 -121,-0.3 5,-0.9 0.919 113.6 49.2 -67.2 -38.3 -18.0 -56.9 2.7 265 301 A E H X5S+ 0 0 135 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.951 118.8 35.1 -66.2 -49.3 -19.2 -60.4 3.5 266 302 A I H <5S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.846 136.4 17.0 -71.6 -35.5 -16.5 -61.2 6.1 267 303 A H H <5S+ 0 0 14 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.594 123.0 47.3-120.5 -17.6 -16.0 -57.8 7.6 268 304 A L H << 0 0 20 -4,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.580 360.0 360.0-111.7 -10.2 -18.9 -55.6 6.8 269 305 A H << 0 0 219 -5,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 -0.491 360.0 360.0 83.2 360.0 -22.1 -57.6 7.6