==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-MAR-13 4JX7 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.J.LEE,B.G.HAN,J.W.CHO,J.S.CHOI,J.K.LEE,H.J.SONG,J.S.KOH,B. . 279 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 61.6 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 18.3 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 0.4 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 . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 0 3 0 2 0 2 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 33 A P >> 0 0 117 0, 0.0 4,-1.4 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 106.3 32.1 -26.3 15.4 2 34 A L H 3> + 0 0 19 1,-0.2 4,-1.0 2,-0.2 3,-0.1 0.846 360.0 53.4 -51.2 -47.6 30.4 -27.7 12.2 3 35 A E H 34 S+ 0 0 135 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.827 107.7 48.9 -64.7 -36.4 33.4 -27.4 9.9 4 36 A S H <4 S+ 0 0 82 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.866 111.1 46.8 -75.4 -36.7 35.9 -29.4 12.0 5 37 A Q H < S+ 0 0 66 -4,-1.4 21,-1.9 21,-0.1 22,-0.5 0.594 112.0 51.1 -86.9 -9.4 33.7 -32.4 12.8 6 38 A Y E < -A 25 0A 16 -4,-1.0 2,-0.6 19,-0.2 19,-0.2 -0.980 64.2-149.4-128.7 143.0 32.5 -33.1 9.3 7 39 A Q E -A 24 0A 130 17,-2.9 17,-1.2 -2,-0.4 2,-0.2 -0.945 23.5-138.5-107.6 116.7 34.2 -33.5 5.9 8 40 A V E -A 23 0A 88 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.468 22.1-178.2 -72.8 138.3 32.1 -32.3 3.0 9 41 A G E - 0 0 31 13,-3.0 3,-0.1 1,-0.2 -1,-0.1 -0.336 44.3 -37.6-113.1-155.8 32.0 -34.4 -0.2 10 42 A P E - 0 0 94 0, 0.0 12,-2.3 0, 0.0 -1,-0.2 -0.282 66.8 -91.6 -73.8 153.4 30.1 -33.6 -3.5 11 43 A L E -A 21 0A 92 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.389 32.1-167.7 -54.1 126.6 26.7 -32.1 -3.9 12 44 A L E - 0 0 103 8,-3.6 2,-0.3 1,-0.4 9,-0.2 0.849 60.6 -49.5 -86.3 -43.7 24.0 -34.9 -4.0 13 45 A G E -A 20 0A 26 7,-1.4 7,-2.5 2,-0.0 -1,-0.4 -0.981 46.8-146.3-174.3 179.0 21.2 -32.6 -5.2 14 46 A S E +A 19 0A 78 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.966 35.6 107.6-152.9 163.6 19.3 -29.4 -4.6 15 47 A G E > S-A 18 0A 30 3,-1.9 3,-2.2 -2,-0.3 -2,-0.0 -0.976 82.2 -12.7 164.1-149.2 15.8 -28.1 -5.0 16 48 A G T 3 S+ 0 0 74 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.789 132.6 53.4 -50.3 -34.7 12.8 -27.1 -2.9 17 49 A F T 3 S- 0 0 65 1,-0.3 2,-0.4 20,-0.1 -1,-0.3 0.512 113.3-118.6 -78.0 -9.7 14.5 -28.7 0.1 18 50 A G E < -A 15 0A 6 -3,-2.2 -3,-1.9 19,-0.1 2,-0.4 -0.869 55.8 -31.6 104.1-140.0 17.8 -26.7 -0.3 19 51 A S E -AB 14 36A 38 17,-1.9 17,-2.9 -2,-0.4 2,-0.5 -0.977 49.1-160.9-128.6 136.6 21.1 -28.5 -1.0 20 52 A V E -AB 13 35A 26 -7,-2.5 -8,-3.6 -2,-0.4 -7,-1.4 -0.967 8.6-169.6-122.1 127.1 22.3 -31.9 0.2 21 53 A Y E -AB 11 34A 72 13,-3.1 13,-3.0 -2,-0.5 -10,-0.2 -0.830 26.1-119.1-112.9 147.5 26.0 -33.0 0.3 22 54 A S E + B 0 33A 19 -12,-2.3 -13,-3.0 -2,-0.3 2,-0.3 -0.553 48.8 167.5 -73.1 150.2 27.6 -36.3 0.9 23 55 A G E -AB 8 32A 1 9,-2.1 9,-2.1 -15,-0.2 2,-0.3 -0.926 31.0-134.3-156.3 177.4 29.7 -36.1 4.0 24 56 A I E -AB 7 31A 56 -17,-1.2 -17,-2.9 -2,-0.3 2,-0.7 -0.985 23.0-123.7-147.3 131.7 31.7 -38.0 6.6 25 57 A R E >>> -AB 6 30A 59 5,-2.4 4,-2.0 -2,-0.3 3,-0.8 -0.704 24.7-148.9 -75.5 113.9 31.9 -37.6 10.3 26 58 A V T 345S+ 0 0 68 -21,-1.9 -1,-0.2 -2,-0.7 -20,-0.1 0.830 88.4 60.7 -58.8 -37.9 35.6 -37.0 10.9 27 59 A S T 345S+ 0 0 101 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.836 129.3 2.4 -60.3 -41.1 35.7 -38.7 14.3 28 60 A D T <45S- 0 0 89 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.245 94.2-113.1-135.0 14.1 34.5 -42.2 13.2 29 61 A N T <5 + 0 0 123 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.0 0.663 53.0 168.5 57.1 21.3 34.2 -42.0 9.4 30 62 A L E < -B 25 0A 60 -5,-0.5 -5,-2.4 1,-0.1 -1,-0.2 -0.483 40.2-118.4 -62.0 121.2 30.4 -42.5 9.6 31 63 A P E +B 24 0A 26 0, 0.0 59,-1.1 0, 0.0 2,-0.3 -0.461 46.0 173.8 -60.9 130.9 28.9 -41.7 6.2 32 64 A V E -BC 23 89A 0 -9,-2.1 -9,-2.1 57,-0.2 2,-0.4 -0.891 31.1-131.8-133.9 165.3 26.5 -38.7 6.6 33 65 A A E -BC 22 88A 11 55,-2.7 55,-2.7 -2,-0.3 2,-0.5 -0.983 18.5-153.3-118.1 139.6 24.4 -36.4 4.5 34 66 A I E -BC 21 87A 5 -13,-3.0 -13,-3.1 -2,-0.4 2,-0.5 -0.951 10.7-168.3-121.1 116.8 24.6 -32.6 5.1 35 67 A K E -BC 20 86A 10 51,-2.5 51,-2.8 -2,-0.5 2,-0.5 -0.903 5.9-158.5-116.3 126.9 21.6 -30.5 4.2 36 68 A H E -BC 19 85A 41 -17,-2.9 -17,-1.9 -2,-0.5 2,-0.4 -0.897 8.5-173.8-108.5 128.5 21.6 -26.7 4.0 37 69 A V E - C 0 84A 15 47,-2.7 47,-2.7 -2,-0.5 2,-0.3 -0.991 21.0-131.6-124.2 124.5 18.3 -24.9 4.3 38 70 A E E > - C 0 83A 110 -2,-0.4 3,-0.6 45,-0.2 4,-0.4 -0.572 11.8-136.4 -76.3 136.6 18.1 -21.1 3.8 39 71 A K G > S+ 0 0 41 43,-2.8 3,-1.3 -2,-0.3 44,-0.1 0.878 104.4 53.3 -60.6 -42.1 16.2 -19.2 6.5 40 72 A D G 3 S+ 0 0 142 42,-0.4 -1,-0.3 1,-0.3 43,-0.1 0.787 107.0 54.4 -62.9 -28.2 14.3 -17.0 4.0 41 73 A R G < S+ 0 0 137 -3,-0.6 2,-0.7 -24,-0.0 -1,-0.3 0.514 85.2 97.6 -87.3 -4.9 13.2 -20.2 2.3 42 74 A I < + 0 0 22 -3,-1.3 3,-0.1 -4,-0.4 -5,-0.0 -0.772 43.2 175.0 -87.0 116.4 11.7 -21.7 5.4 43 75 A S + 0 0 87 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.879 65.7 51.8 -81.9 -42.1 7.9 -21.1 5.6 44 76 A D - 0 0 63 112,-0.2 12,-2.0 115,-0.0 13,-0.3 -0.884 64.5-177.6-113.3 119.1 7.2 -23.2 8.7 45 77 A W E +E 55 0B 65 -2,-0.5 2,-0.2 10,-0.2 8,-0.1 -0.764 3.2 175.5-111.5 154.4 9.0 -22.9 12.0 46 78 A G E -E 54 0B 13 8,-2.8 8,-1.0 -2,-0.3 2,-0.3 -0.562 21.4-122.5-131.6-160.8 8.7 -24.8 15.3 47 79 A E E -E 53 0B 128 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.984 16.3-126.8-153.5 152.5 10.5 -24.8 18.7 48 80 A L > - 0 0 16 4,-1.2 3,-0.6 -2,-0.3 11,-0.0 -0.167 42.5 -85.4 -88.0 176.9 12.3 -27.3 20.8 49 81 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.951 133.9 48.8 -39.1 -58.4 11.9 -28.5 24.4 50 82 A N T 3 S- 0 0 115 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.676 117.1-120.9 -61.8 -22.9 14.2 -25.6 25.3 51 83 A G < + 0 0 30 -3,-0.6 2,-0.1 1,-0.3 -1,-0.1 0.332 60.6 139.3 103.8 -7.4 12.1 -23.2 23.2 52 84 A T - 0 0 84 1,-0.1 -4,-1.2 -5,-0.1 2,-0.6 -0.429 60.0-100.1 -72.8 148.1 14.4 -21.7 20.5 53 85 A R E +E 47 0B 153 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.1 -0.560 52.5 159.2 -79.9 114.0 13.0 -21.4 17.0 54 86 A V E -E 46 0B 1 -8,-1.0 -8,-2.8 -2,-0.6 2,-0.2 -0.722 49.3 -75.1-120.3 168.6 14.1 -24.1 14.5 55 87 A P E >> -E 45 0B 3 0, 0.0 3,-1.6 0, 0.0 4,-1.3 -0.486 41.6-121.6 -61.2 138.6 12.8 -25.4 11.2 56 88 A M H 3> S+ 0 0 32 -12,-2.0 4,-3.0 1,-0.3 5,-0.2 0.866 112.7 67.7 -46.9 -39.1 9.7 -27.6 11.6 57 89 A E H 3> S+ 0 0 15 -13,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.856 97.9 50.0 -48.7 -45.1 11.8 -30.3 9.9 58 90 A V H <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.944 111.1 48.2 -62.5 -50.2 14.1 -30.5 12.9 59 91 A V H X S+ 0 0 20 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.960 114.6 46.7 -52.1 -53.4 11.2 -30.8 15.4 60 92 A L H X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.886 111.8 48.9 -57.8 -46.6 9.6 -33.5 13.2 61 93 A L H X S+ 0 0 4 -4,-2.6 4,-0.9 -5,-0.2 13,-0.3 0.859 109.5 53.3 -65.9 -36.3 12.8 -35.5 12.8 62 94 A K H X S+ 0 0 101 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.881 106.5 53.4 -62.1 -38.8 13.5 -35.3 16.6 63 95 A K H < S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.803 118.5 34.7 -69.5 -26.6 10.0 -36.8 17.2 64 96 A V H < S+ 0 0 2 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.478 99.1 84.1-102.4 -0.8 10.6 -39.7 14.9 65 97 A S H < + 0 0 18 -4,-0.9 -2,-0.1 -3,-0.4 2,-0.1 0.742 62.2 92.2 -81.4 -27.6 14.4 -40.3 15.6 66 98 A S S < S+ 0 0 97 -4,-0.5 2,-0.1 -3,-0.1 0, 0.0 -0.445 87.5 10.4 -75.5 145.4 14.5 -42.4 18.7 67 99 A G S S- 0 0 53 -2,-0.1 2,-0.2 2,-0.0 -3,-0.0 -0.378 106.0 -52.9 79.9-167.7 14.6 -46.2 18.1 68 100 A F + 0 0 191 -2,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.660 65.5 151.8-102.5 159.1 15.1 -47.7 14.7 69 101 A S - 0 0 33 -2,-0.2 4,-0.1 2,-0.1 53,-0.1 -0.999 62.2-103.2-170.0 167.7 13.2 -47.1 11.5 70 102 A G S S+ 0 0 20 -2,-0.3 82,-2.4 48,-0.2 2,-0.4 -0.136 96.3 97.0 -83.2 28.9 12.5 -46.8 7.9 71 103 A V B S-f 152 0C 3 80,-0.3 82,-0.1 -7,-0.1 -2,-0.1 -0.991 86.1-114.7-117.9 129.5 12.9 -43.0 8.7 72 104 A I - 0 0 7 80,-2.4 2,-0.3 -2,-0.4 -2,-0.1 -0.444 38.8-122.3 -61.1 132.9 16.3 -41.3 8.0 73 105 A R - 0 0 100 -2,-0.1 16,-2.5 -4,-0.1 2,-0.7 -0.570 5.2-133.1 -85.9 137.5 17.8 -40.2 11.4 74 106 A L E +D 88 0A 18 -13,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.813 24.1 179.6 -81.6 114.4 18.8 -36.7 12.4 75 107 A L E - 0 0 47 12,-2.4 2,-0.3 -2,-0.7 13,-0.2 0.777 61.7 -32.8 -88.0 -29.0 22.3 -37.0 13.9 76 108 A D E -D 87 0A 59 11,-1.4 11,-3.1 2,-0.0 -1,-0.4 -0.951 54.0-147.9-178.3 163.2 22.8 -33.3 14.7 77 109 A W E -D 86 0A 53 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.980 5.3-160.3-147.2 159.6 22.0 -29.8 13.5 78 110 A F E -D 85 0A 36 7,-2.6 7,-2.9 -2,-0.3 2,-0.4 -0.985 13.3-136.5-137.8 147.5 23.6 -26.4 13.5 79 111 A E E -D 84 0A 109 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.863 22.1-175.0-101.8 139.4 22.4 -22.8 13.0 80 112 A R - 0 0 77 3,-3.0 -2,-0.0 -2,-0.4 5,-0.0 -0.780 44.4 -90.5-121.3 171.3 24.2 -20.4 10.9 81 113 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.907 121.6 7.2 -45.2 -51.0 23.7 -16.7 10.3 82 114 A D S S+ 0 0 115 -43,-0.0 -43,-2.8 1,-0.0 -42,-0.4 0.376 128.8 36.2-120.8 3.0 21.4 -17.3 7.2 83 115 A S E -C 38 0A 19 -45,-0.3 -3,-3.0 -44,-0.1 2,-0.4 -0.962 63.7-126.2-148.2 162.7 20.8 -21.0 7.1 84 116 A F E -CD 37 79A 0 -47,-2.7 -47,-2.7 -2,-0.3 2,-0.5 -0.912 21.4-151.8-107.0 147.3 20.3 -24.2 9.1 85 117 A V E -CD 36 78A 0 -7,-2.9 -7,-2.6 -2,-0.4 2,-0.5 -0.980 8.1-162.8-121.5 125.2 22.5 -27.2 8.6 86 118 A L E -CD 35 77A 0 -51,-2.8 -51,-2.5 -2,-0.5 2,-0.5 -0.914 7.4-152.8-111.4 131.3 21.2 -30.7 9.2 87 119 A I E +CD 34 76A 0 -11,-3.1 -12,-2.4 -2,-0.5 -11,-1.4 -0.908 25.5 179.4-100.7 126.4 23.4 -33.8 9.7 88 120 A L E -CD 33 74A 17 -55,-2.7 -55,-2.7 -2,-0.5 -14,-0.2 -0.922 33.8 -92.2-130.5 152.5 21.6 -36.9 8.7 89 121 A E E -C 32 0A 53 -16,-2.5 -57,-0.2 -2,-0.3 -1,-0.0 -0.239 37.6-158.7 -52.2 142.8 22.3 -40.6 8.5 90 122 A R - 0 0 31 -59,-1.1 2,-0.1 -58,-0.1 -1,-0.0 -0.906 4.7-147.8-134.6 113.0 23.5 -41.8 5.1 91 123 A P - 0 0 12 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.378 23.8-122.1 -71.6 154.1 23.3 -45.5 3.9 92 124 A E S S+ 0 0 123 1,-0.3 2,-0.1 -2,-0.1 52,-0.1 -0.975 92.4 23.4-151.3 124.4 26.0 -46.8 1.6 93 125 A P S S+ 0 0 55 0, 0.0 52,-1.4 0, 0.0 53,-0.6 0.720 93.1 160.2 -73.3 156.9 25.5 -47.9 -1.1 94 126 A V E -G 144 0C 55 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.993 23.3-176.3-146.1 143.4 22.1 -46.2 -1.6 95 127 A Q E -G 143 0C 35 48,-2.0 48,-2.4 -2,-0.3 2,-0.1 -0.989 29.8-118.5-139.3 139.4 19.8 -45.2 -4.5 96 128 A D E > -G 142 0C 23 -2,-0.3 4,-2.2 46,-0.2 46,-0.2 -0.407 26.6-118.7 -71.2 152.2 16.6 -43.2 -4.3 97 129 A L H > S+ 0 0 0 44,-2.5 4,-2.6 41,-0.7 42,-0.2 0.840 110.5 60.7 -64.2 -31.9 13.4 -45.0 -5.5 98 130 A F H > S+ 0 0 11 40,-1.0 4,-2.6 43,-0.3 -1,-0.2 0.965 110.1 39.8 -57.8 -54.1 12.8 -42.4 -8.3 99 131 A D H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 112.7 57.1 -62.7 -37.3 16.2 -43.3 -10.0 100 132 A F H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.920 110.6 43.2 -60.6 -43.4 15.7 -46.9 -9.3 101 133 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.903 110.6 55.6 -70.6 -41.4 12.4 -46.9 -11.1 102 134 A T H < S+ 0 0 73 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.916 115.4 39.8 -52.1 -45.0 13.8 -44.8 -13.9 103 135 A E H < S+ 0 0 138 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 127.1 29.4 -76.1 -41.8 16.5 -47.4 -14.4 104 136 A R H < S- 0 0 118 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.604 93.0-148.1-103.1 -7.6 14.5 -50.6 -14.0 105 137 A G < + 0 0 31 -4,-2.6 -1,-0.3 -5,-0.2 101,-0.3 -0.414 62.9 7.5 75.5-155.7 11.1 -49.5 -15.2 106 138 A A S S- 0 0 32 99,-0.3 2,-0.3 98,-0.1 98,-0.2 -0.324 84.7-124.6 -57.1 137.7 7.9 -51.0 -13.7 107 139 A L - 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0 0 5 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.263 23.0-110.3 -83.5 166.5 -5.6 -35.6 -3.1 178 210 A P H 3> S+ 0 0 5 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.856 115.9 61.3 -62.9 -34.8 -8.7 -34.3 -5.0 179 211 A E H 3> S+ 0 0 19 1,-0.2 4,-1.7 62,-0.2 6,-1.4 0.790 106.4 47.7 -63.3 -28.4 -10.1 -32.6 -1.8 180 212 A W H <> S+ 0 0 19 -3,-0.9 4,-1.8 4,-0.2 -1,-0.2 0.940 112.5 48.1 -70.0 -48.2 -6.9 -30.5 -1.8 181 213 A I H < S+ 0 0 18 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.923 123.2 32.0 -60.5 -46.0 -7.2 -29.7 -5.5 182 214 A R H < S+ 0 0 133 -4,-3.1 -1,-0.2 -5,-0.1 -3,-0.2 0.910 137.3 13.6 -78.9 -46.1 -10.9 -28.7 -5.2 183 215 A Y H < S- 0 0 139 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.474 86.4-123.2-116.7 -7.0 -11.3 -27.3 -1.7 184 216 A H S < S+ 0 0 95 -4,-1.8 2,-0.3 -5,-0.4 -4,-0.2 0.858 79.4 107.9 59.0 35.7 -7.8 -26.6 -0.3 185 217 A R + 0 0 131 -6,-1.4 2,-0.3 -18,-0.1 -2,-0.3 -0.999 36.5 153.9-141.6 140.6 -8.7 -28.8 2.6 186 218 A Y B -J 166 0E 8 -20,-1.7 -20,-3.5 -2,-0.3 2,-0.4 -0.980 36.8-122.0-156.5 160.5 -7.7 -32.3 3.7 187 219 A H > - 0 0 85 -2,-0.3 4,-1.9 -22,-0.2 5,-0.2 -0.844 32.3-121.9-100.9 147.7 -7.3 -34.6 6.7 188 220 A G H > S+ 0 0 3 -26,-0.5 4,-2.0 -24,-0.4 -54,-0.1 0.892 101.1 43.2 -58.5 -50.6 -3.8 -35.9 7.3 189 221 A R H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 115.7 44.5 -70.4 -46.1 -4.3 -39.7 7.3 190 222 A S H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.832 113.8 51.5 -72.3 -33.0 -6.6 -40.0 4.3 191 223 A A H X S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.876 109.1 51.9 -64.1 -38.6 -4.5 -37.6 2.3 192 224 A A H X S+ 0 0 9 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.881 107.9 52.3 -64.1 -37.7 -1.4 -39.8 3.2 193 225 A V H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.895 106.2 53.1 -67.3 -43.0 -3.3 -42.8 2.0 194 226 A W H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.948 109.2 48.4 -53.1 -50.5 -4.1 -41.2 -1.4 195 227 A S H X S+ 0 0 11 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.814 107.6 56.5 -65.3 -28.5 -0.4 -40.4 -1.9 196 228 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.885 105.4 51.0 -68.6 -38.4 0.4 -44.0 -1.0 197 229 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 -3,-0.3 -2,-0.2 0.905 110.6 48.6 -62.2 -42.2 -2.0 -45.1 -3.8 198 230 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.945 112.3 50.2 -60.4 -46.1 -0.1 -42.8 -6.2 199 231 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.903 110.0 48.6 -59.4 -45.4 3.1 -44.3 -5.0 200 232 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.911 111.4 49.2 -65.4 -41.8 2.0 -47.9 -5.4 201 233 A Y H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 6,-0.4 0.953 110.5 53.2 -58.3 -48.7 0.8 -47.1 -9.0 202 234 A D H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.904 109.6 47.6 -51.5 -46.7 4.2 -45.5 -9.6 203 235 A M H < S+ 0 0 0 -4,-2.3 -96,-2.8 1,-0.2 -1,-0.2 0.920 118.4 38.4 -63.6 -47.3 6.0 -48.6 -8.4 204 236 A V H < S+ 0 0 5 -4,-2.3 -1,-0.2 -98,-0.2 -2,-0.2 0.616 127.4 33.2 -86.2 -11.0 4.0 -51.2 -10.5 205 237 A C H < S- 0 0 6 -4,-2.1 -99,-0.3 -5,-0.2 -2,-0.2 0.491 101.9-121.0-116.9 -10.4 3.6 -49.1 -13.7 206 238 A G S < S+ 0 0 10 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.2 0.409 86.5 52.0 82.1 -3.6 6.9 -47.2 -13.7 207 239 A D S S- 0 0 10 -6,-0.4 -2,-0.2 -5,-0.1 -1,-0.1 -0.983 90.7 -91.1-155.8 161.9 5.2 -43.8 -13.6 208 240 A I - 0 0 5 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.326 31.7-132.7 -69.4 153.6 2.5 -41.8 -11.7 209 241 A P S S+ 0 0 17 0, 0.0 2,-0.4 0, 0.0 13,-0.1 0.811 82.8 46.8 -83.7 -27.7 -1.1 -42.0 -12.9 210 242 A F + 0 0 6 -36,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.938 39.3 163.0-119.7 134.3 -2.0 -38.3 -13.0 211 243 A E + 0 0 64 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.582 68.3 60.6-109.2 -23.7 -0.2 -35.3 -14.2 212 244 A H S >> S- 0 0 117 1,-0.1 4,-2.2 -38,-0.1 3,-0.7 -0.807 76.9-125.9-116.5 147.1 -3.2 -32.9 -14.3 213 245 A D H 3> S+ 0 0 53 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.858 112.7 56.9 -41.7 -46.0 -5.7 -31.5 -11.9 214 246 A E H 3> S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 107.7 46.5 -59.1 -42.5 -8.5 -32.8 -14.1 215 247 A E H <> S+ 0 0 78 -3,-0.7 4,-2.4 2,-0.2 5,-0.5 0.902 112.6 49.6 -68.6 -44.5 -7.2 -36.3 -13.9 216 248 A I H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.952 112.8 47.3 -56.8 -52.3 -6.8 -36.1 -10.1 217 249 A I H < S+ 0 0 60 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 114.1 47.4 -58.6 -42.9 -10.3 -34.7 -9.7 218 250 A R H < S- 0 0 172 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.845 87.2-163.3 -68.5 -35.6 -11.7 -37.4 -12.0 219 251 A G < + 0 0 16 -4,-2.4 2,-0.5 1,-0.2 -3,-0.1 0.713 30.7 150.1 56.6 25.8 -9.8 -40.2 -10.2 220 252 A Q - 0 0 115 -5,-0.5 2,-0.6 2,-0.0 -1,-0.2 -0.782 34.1-150.6 -88.1 128.5 -10.2 -42.8 -13.0 221 253 A V - 0 0 5 -2,-0.5 2,-0.4 -3,-0.1 15,-0.1 -0.906 13.5-173.4-112.1 118.8 -7.2 -45.1 -13.0 222 254 A F - 0 0 157 -2,-0.6 2,-0.5 -13,-0.1 -2,-0.0 -0.897 16.2-138.6-109.0 138.2 -6.0 -46.8 -16.2 223 255 A F + 0 0 24 -2,-0.4 4,-0.1 1,-0.1 -18,-0.0 -0.843 20.3 178.0-103.2 128.9 -3.3 -49.5 -16.3 224 256 A R S S+ 0 0 130 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.568 71.1 53.9 -95.9 -19.4 -0.6 -49.5 -19.0 225 257 A Q S S- 0 0 93 0, 0.0 2,-0.3 0, 0.0 -21,-0.0 -0.840 99.7 -91.2-117.5 153.2 1.2 -52.5 -17.6 226 258 A R + 0 0 214 -2,-0.3 2,-0.3 -21,-0.0 -2,-0.1 -0.542 56.7 168.9 -59.3 121.0 0.1 -56.0 -16.7 227 259 A V - 0 0 3 -2,-0.3 5,-0.1 -4,-0.1 -4,-0.1 -0.992 35.9-106.6-141.7 131.0 -0.9 -55.7 -13.0 228 260 A S > - 0 0 27 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.088 27.5-117.2 -54.6 155.8 -2.8 -58.3 -10.9 229 261 A S H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.838 114.0 53.8 -66.6 -34.9 -6.4 -57.7 -10.0 230 262 A E H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.906 110.3 46.8 -68.3 -39.7 -5.6 -57.6 -6.3 231 263 A C H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.922 112.5 49.6 -66.4 -45.4 -3.0 -54.9 -6.8 232 264 A Q H X S+ 0 0 47 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.866 111.2 51.1 -57.3 -38.6 -5.3 -52.9 -9.1 233 265 A H H X S+ 0 0 112 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.952 109.0 48.9 -67.8 -49.5 -8.0 -53.2 -6.4 234 266 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 112.8 49.6 -54.7 -45.4 -5.7 -52.0 -3.6 235 267 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.931 110.8 46.9 -59.7 -48.0 -4.6 -49.0 -5.8 236 268 A R H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.789 111.1 54.9 -69.7 -25.2 -8.2 -47.9 -6.7 237 269 A W H >< S+ 0 0 72 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.930 107.9 46.8 -69.7 -49.4 -9.1 -48.3 -3.0 238 270 A C H 3< S+ 0 0 0 -4,-2.4 -41,-0.2 1,-0.3 -2,-0.2 0.820 113.2 52.1 -60.0 -33.1 -6.4 -45.9 -1.9 239 271 A L T 3< S+ 0 0 3 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.099 75.9 146.4 -95.8 24.5 -7.4 -43.5 -4.6 240 272 A A < - 0 0 18 -3,-1.6 6,-0.1 1,-0.1 -3,-0.1 -0.380 51.5-134.2 -56.2 134.1 -11.1 -43.4 -3.7 241 273 A L S S+ 0 0 79 -23,-0.1 -62,-0.2 -22,-0.1 -1,-0.1 0.922 92.2 66.8 -57.9 -46.7 -12.4 -40.0 -4.4 242 274 A R S > S- 0 0 150 1,-0.2 3,-2.0 -64,-0.1 4,-0.3 -0.673 82.6-140.7 -79.8 124.2 -14.2 -39.7 -1.1 243 275 A P G > S+ 0 0 48 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.890 101.5 55.2 -50.0 -44.3 -11.6 -39.6 1.8 244 276 A S G 3 S+ 0 0 92 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.592 97.9 64.0 -70.7 -10.5 -13.8 -41.8 4.0 245 277 A D G < S+ 0 0 74 -3,-2.0 -1,-0.3 -5,-0.1 -5,-0.1 0.418 85.1 99.1 -85.7 -1.8 -13.9 -44.5 1.3 246 278 A R S < S- 0 0 16 -3,-2.0 -8,-0.2 -4,-0.3 -9,-0.1 -0.587 80.4-107.9 -84.5 149.5 -10.1 -44.9 1.6 247 279 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.365 25.9-121.6 -71.7 153.0 -8.6 -47.8 3.6 248 280 A T > - 0 0 77 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.421 37.3 -99.2 -76.2 169.2 -6.9 -47.3 7.0 249 281 A F H > S+ 0 0 28 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 127.4 54.6 -56.8 -39.2 -3.2 -48.4 7.2 250 282 A E H > S+ 0 0 137 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.903 107.3 48.3 -60.4 -47.3 -4.5 -51.5 8.9 251 283 A E H > S+ 0 0 84 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.885 111.2 51.0 -63.3 -39.3 -6.9 -52.3 6.0 252 284 A I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.961 112.0 46.5 -58.1 -52.7 -4.1 -51.7 3.5 253 285 A Q H 3< S+ 0 0 13 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.687 113.3 49.0 -68.8 -19.0 -1.8 -54.1 5.4 254 286 A N H 3< S+ 0 0 105 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.457 84.8 120.3 -94.6 -4.2 -4.5 -56.7 5.7 255 287 A H S X< S- 0 0 8 -3,-1.3 3,-2.0 -4,-0.6 4,-0.2 -0.322 76.1-119.1 -59.0 139.9 -5.3 -56.5 2.0 256 288 A P G > S+ 0 0 70 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.806 114.0 59.4 -52.2 -33.3 -4.9 -59.8 0.1 257 289 A W G 3 S+ 0 0 3 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.774 99.2 59.3 -65.6 -24.9 -2.3 -58.2 -2.2 258 290 A M G < S+ 0 0 3 -3,-2.0 3,-0.5 -6,-0.3 -1,-0.2 0.299 81.2 116.6 -88.0 9.0 -0.2 -57.5 1.0 259 291 A Q S < S+ 0 0 107 -3,-1.3 -5,-0.0 1,-0.2 -146,-0.0 -0.475 71.4 16.0 -79.1 148.5 0.1 -61.1 2.0 260 292 A D S S- 0 0 149 1,-0.1 -1,-0.2 -2,-0.1 -147,-0.1 0.867 78.4-172.1 62.3 44.3 3.5 -63.0 2.2 261 293 A V - 0 0 46 -3,-0.5 2,-0.2 -148,-0.1 -1,-0.1 -0.363 21.6-119.1 -65.1 144.0 5.8 -60.0 2.1 262 294 A L - 0 0 31 -152,-0.4 -1,-0.1 1,-0.1 3,-0.0 -0.536 27.1-110.9 -76.5 150.8 9.6 -60.6 1.7 263 295 A L > - 0 0 111 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.450 35.0-104.6 -72.9 156.7 12.0 -59.5 4.4 264 296 A P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.929 119.6 45.0 -50.3 -52.9 14.3 -56.7 3.5 265 297 A Q H > S+ 0 0 110 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.881 110.7 52.5 -63.7 -39.4 17.4 -58.9 3.1 266 298 A E H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.905 110.1 52.2 -56.6 -40.6 15.6 -61.5 1.1 267 299 A T H X>S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.6 0.902 109.8 46.4 -63.4 -44.8 14.5 -58.6 -1.1 268 300 A A H X>S+ 0 0 0 -4,-2.2 5,-1.9 -121,-0.3 4,-1.8 0.904 114.0 49.1 -66.9 -39.4 18.0 -57.3 -1.6 269 301 A E H <5S+ 0 0 120 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.899 119.1 36.5 -67.1 -43.3 19.3 -60.9 -2.4 270 302 A I H <5S+ 0 0 102 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.889 137.5 13.3 -75.7 -39.9 16.5 -61.7 -4.9 271 303 A H H <5S+ 0 0 20 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.585 127.0 41.4-118.3 -17.9 16.2 -58.3 -6.5 272 304 A L T <