==== 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 27-MAR-13 4JX3 . 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. . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 64.6 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 18.6 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 . 17 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.7 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 1 1 2 0 2 1 1 0 0 0 0 0 0 0 1 0 0 1 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 . 0 2 2 1 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 . 3 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 0 111 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 103.3 32.5 -26.0 15.8 2 34 A L H 3> + 0 0 25 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.886 360.0 42.6 -63.0 -43.2 30.8 -27.0 12.6 3 35 A E H 34 S+ 0 0 131 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.427 108.0 59.4 -95.3 3.2 33.5 -27.2 10.0 4 36 A S H <4 S+ 0 0 68 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.803 102.4 52.1 -84.3 -40.4 36.0 -29.0 12.2 5 37 A Q H < S+ 0 0 59 -4,-1.1 21,-1.0 -3,-0.2 22,-0.9 0.710 111.2 43.0 -77.4 -20.3 33.8 -32.0 12.8 6 38 A Y E < -A 25 0A 15 -4,-0.7 2,-0.7 19,-0.2 19,-0.2 -0.925 65.1-140.3-132.5 151.8 32.9 -32.8 9.2 7 39 A Q E -A 24 0A 125 17,-2.4 17,-0.7 -2,-0.3 -3,-0.1 -0.888 32.9-123.8-117.1 100.7 34.7 -33.1 5.9 8 40 A V E -A 23 0A 108 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.028 32.4-176.4 -49.9 139.6 32.7 -31.7 3.0 9 41 A G E - 0 0 22 13,-2.3 3,-0.1 1,-0.1 14,-0.1 -0.561 37.3 -42.8-127.2-177.8 32.0 -34.0 0.1 10 42 A P E - 0 0 86 0, 0.0 12,-2.4 0, 0.0 2,-0.4 -0.222 59.4-101.3 -65.7 145.8 30.3 -33.7 -3.3 11 43 A L E -A 21 0A 89 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.410 38.3-176.4 -64.6 125.2 27.1 -31.9 -3.9 12 44 A L E - 0 0 93 8,-4.0 2,-0.3 -2,-0.4 9,-0.2 0.708 54.9 -7.3 -97.6 -22.9 24.7 -34.7 -4.1 13 45 A G E -A 20 0A 17 7,-1.5 7,-2.6 -3,-0.1 2,-0.3 -0.963 39.5-168.6-173.5 155.5 21.6 -32.7 -4.9 14 46 A S E +A 19 0A 91 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.968 42.5 101.5-147.4 132.8 19.6 -29.5 -5.4 15 47 A G S S- 0 0 53 3,-0.9 -2,-0.0 -2,-0.3 4,-0.0 -0.574 88.3 -23.6-167.7-127.4 15.9 -29.2 -5.8 16 48 A G S S+ 0 0 83 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.417 134.1 51.6 -87.7 -2.4 12.9 -28.2 -3.6 17 49 A F S S- 0 0 50 1,-0.3 2,-0.4 140,-0.0 -1,-0.1 0.788 107.5-118.5 -99.3 -38.8 14.9 -29.1 -0.5 18 50 A G - 0 0 6 19,-0.1 -3,-0.9 2,-0.0 2,-0.6 -1.000 54.7 -21.7 133.6-137.2 18.1 -27.2 -1.0 19 51 A S E -AB 14 36A 40 17,-1.2 17,-1.8 -2,-0.4 2,-0.5 -0.927 52.4-169.2-128.0 109.8 21.7 -28.2 -1.4 20 52 A V E -AB 13 35A 25 -7,-2.6 -8,-4.0 -2,-0.6 -7,-1.5 -0.863 4.4-172.9-107.0 124.0 22.9 -31.6 -0.1 21 53 A Y E -AB 11 34A 80 13,-3.4 13,-2.9 -2,-0.5 -10,-0.2 -0.888 26.4-118.7-112.5 142.7 26.6 -32.6 0.1 22 54 A S E + B 0 33A 13 -12,-2.4 -13,-2.3 -2,-0.4 2,-0.3 -0.458 44.1 172.5 -67.3 151.8 28.2 -35.9 0.9 23 55 A G E -AB 8 32A 0 9,-2.0 9,-2.5 -15,-0.2 2,-0.4 -0.969 30.0-134.7-159.0 163.9 30.4 -35.7 4.0 24 56 A I E -AB 7 31A 51 -17,-0.7 -17,-2.4 -2,-0.3 2,-1.2 -0.996 21.2-131.1-128.4 130.3 32.4 -37.7 6.5 25 57 A R E >>> -AB 6 30A 54 5,-2.4 4,-2.3 -2,-0.4 3,-1.8 -0.766 20.9-158.4 -78.4 100.5 32.2 -37.2 10.2 26 58 A V T 345S+ 0 0 62 -2,-1.2 -1,-0.2 -21,-1.0 3,-0.2 0.891 85.0 73.2 -50.2 -33.4 36.0 -37.0 10.9 27 59 A S T 345S- 0 0 84 -22,-0.9 -1,-0.3 1,-0.3 -21,-0.1 0.808 128.5 -5.2 -56.5 -39.8 35.3 -38.0 14.4 28 60 A D T <45S- 0 0 83 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.253 94.5-112.0-134.4 17.0 34.6 -41.6 13.3 29 61 A N T <5 + 0 0 115 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.762 57.4 167.4 54.2 30.7 34.7 -41.4 9.5 30 62 A L E < -B 25 0A 60 -5,-1.0 -5,-2.4 1,-0.1 2,-0.6 -0.566 42.3-115.4 -73.4 128.8 30.9 -42.1 9.4 31 63 A P E +B 24 0A 56 0, 0.0 59,-1.4 0, 0.0 2,-0.3 -0.570 50.3 168.2 -64.1 114.7 29.3 -41.5 6.0 32 64 A V E -BC 23 89A 0 -9,-2.5 -9,-2.0 -2,-0.6 2,-0.5 -0.851 33.4-128.9-128.4 164.8 26.9 -38.5 6.5 33 65 A A E -BC 22 88A 12 55,-4.2 55,-3.5 -2,-0.3 2,-0.5 -0.970 16.7-155.8-120.7 124.4 24.9 -36.1 4.4 34 66 A I E -BC 21 87A 9 -13,-2.9 -13,-3.4 -2,-0.5 2,-0.4 -0.872 12.6-171.2-104.6 121.7 25.1 -32.4 5.0 35 67 A K E -BC 20 86A 12 51,-2.5 51,-2.4 -2,-0.5 2,-0.5 -0.930 9.8-150.9-121.4 134.7 22.1 -30.2 4.0 36 68 A H E -BC 19 85A 47 -17,-1.8 -17,-1.2 -2,-0.4 2,-0.4 -0.883 11.6-177.1-111.5 130.3 21.8 -26.5 3.8 37 69 A V E - C 0 84A 6 47,-3.1 47,-3.2 -2,-0.5 2,-0.3 -0.992 21.1-135.1-125.0 124.1 18.6 -24.6 4.3 38 70 A E E > - C 0 83A 106 -2,-0.4 3,-0.8 45,-0.3 4,-0.3 -0.578 8.4-138.6 -78.6 141.4 18.5 -20.9 4.0 39 71 A K G > S+ 0 0 43 43,-5.3 3,-1.8 -2,-0.3 44,-0.1 0.905 102.3 59.5 -62.5 -39.0 16.6 -19.0 6.6 40 72 A D G 3 S+ 0 0 131 42,-0.5 -1,-0.3 1,-0.3 43,-0.1 0.738 106.6 48.6 -64.0 -24.9 15.1 -16.7 4.0 41 73 A R G < S+ 0 0 112 -3,-0.8 2,-0.6 2,-0.0 -1,-0.3 0.386 85.1 98.0 -99.3 1.5 13.5 -19.7 2.3 42 74 A I < + 0 0 23 -3,-1.8 3,-0.1 -4,-0.3 -5,-0.0 -0.826 39.8 172.2 -94.3 119.3 11.9 -21.4 5.3 43 75 A S + 0 0 102 -2,-0.6 2,-0.5 1,-0.1 -1,-0.2 0.676 63.6 60.4-100.2 -19.3 8.3 -20.5 5.5 44 76 A D - 0 0 70 2,-0.0 12,-0.9 115,-0.0 13,-0.3 -0.950 66.4-177.4-114.2 125.6 7.3 -22.9 8.3 45 77 A W E -E 55 0B 73 -2,-0.5 2,-0.3 10,-0.2 8,-0.0 -0.782 1.3-172.9-120.4 163.8 9.0 -22.6 11.7 46 78 A G E -E 54 0B 8 8,-2.8 8,-2.2 -2,-0.3 2,-0.5 -0.929 24.2-107.8-153.1 171.5 8.7 -24.6 15.0 47 79 A E E -E 53 0B 130 -2,-0.3 5,-0.2 6,-0.2 6,-0.2 -0.919 28.8-131.0-114.9 122.3 9.8 -24.8 18.6 48 80 A L - 0 0 14 4,-2.9 11,-0.1 -2,-0.5 8,-0.0 -0.130 35.0-102.4 -59.6 166.5 12.3 -27.3 19.9 49 81 A P S S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.942 137.5 50.2 -60.7 -38.7 11.4 -29.4 23.0 50 82 A N S S- 0 0 147 1,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.821 122.9-130.5 -58.8 -31.5 13.6 -26.9 24.7 51 83 A G + 0 0 22 1,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.124 59.2 137.5 102.4 -11.4 11.3 -24.7 22.7 52 84 A T - 0 0 88 -5,-0.2 -4,-2.9 1,-0.1 2,-0.4 -0.263 63.4 -90.0 -64.3 150.0 13.7 -22.4 21.0 53 85 A R E +E 47 0B 139 -6,-0.2 -6,-0.2 -8,-0.0 -1,-0.1 -0.516 55.7 151.5 -83.5 123.1 12.9 -21.7 17.3 54 86 A V E -E 46 0B 1 -8,-2.2 -8,-2.8 -2,-0.4 2,-0.5 -0.679 56.2 -72.3-124.6 179.0 14.2 -23.9 14.4 55 87 A P E >> -E 45 0B 5 0, 0.0 3,-3.2 0, 0.0 4,-0.9 -0.697 45.1-120.7 -77.5 129.5 12.8 -24.8 11.0 56 88 A M H 3> S+ 0 0 33 -12,-0.9 4,-2.7 -2,-0.5 5,-0.3 0.804 111.2 70.4 -31.1 -50.3 9.9 -27.2 11.4 57 89 A E H 3> S+ 0 0 22 -13,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.827 101.8 45.9 -36.1 -44.3 11.9 -29.7 9.2 58 90 A V H <> S+ 0 0 1 -3,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.907 108.8 52.8 -71.2 -46.0 14.2 -30.1 12.3 59 91 A V H X S+ 0 0 16 -4,-0.9 4,-1.8 1,-0.2 -2,-0.2 0.910 112.7 47.1 -50.2 -46.6 11.4 -30.4 14.8 60 92 A L H X S+ 0 0 1 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.904 111.3 49.6 -66.7 -44.5 10.0 -33.2 12.7 61 93 A L H X S+ 0 0 5 -4,-2.0 4,-0.9 -5,-0.3 3,-0.4 0.895 109.0 51.9 -63.0 -42.7 13.3 -35.0 12.3 62 94 A K H >< S+ 0 0 107 -4,-2.7 3,-0.8 1,-0.2 4,-0.5 0.934 107.4 55.2 -56.6 -45.0 14.1 -34.9 16.0 63 95 A K H 3< S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.751 117.6 31.9 -65.4 -31.1 10.7 -36.4 16.7 64 96 A V H 3< S+ 0 0 4 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.397 93.3 97.2-100.2 -0.9 11.2 -39.4 14.4 65 97 A S << + 0 0 15 -4,-0.9 3,-0.4 -3,-0.8 -2,-0.1 0.825 58.9 89.1 -67.7 -35.2 14.9 -39.9 14.8 66 98 A S S S- 0 0 98 -4,-0.5 3,-0.0 1,-0.2 0, 0.0 -0.342 96.1 -21.0 -55.9 138.9 15.2 -42.6 17.4 67 99 A G S S+ 0 0 59 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.640 93.7 94.5 52.4 58.0 15.2 -46.0 16.6 68 100 A F - 0 0 74 -3,-0.4 3,-0.1 3,-0.2 54,-0.0 -0.717 48.8-155.5-154.6 161.4 13.9 -47.0 13.3 69 101 A S S S+ 0 0 51 -2,-0.3 4,-0.1 1,-0.1 -2,-0.1 0.423 80.7 87.2-102.9 1.1 15.8 -47.4 10.2 70 102 A G S S+ 0 0 7 81,-0.1 82,-2.1 51,-0.1 2,-0.3 0.591 89.5 45.2 -69.3 -19.6 12.7 -46.7 8.1 71 103 A V B S-f 152 0C 4 80,-0.3 82,-0.2 -7,-0.1 -3,-0.2 -0.957 95.6-100.5-129.3 142.4 13.3 -43.0 8.1 72 104 A I - 0 0 10 80,-2.1 2,-0.4 -2,-0.3 -8,-0.1 -0.415 43.8-129.6 -66.5 143.3 16.5 -41.0 7.5 73 105 A R - 0 0 86 -2,-0.1 16,-1.9 -4,-0.1 2,-0.8 -0.790 1.7-135.0-109.1 133.5 17.9 -39.9 10.7 74 106 A L E -D 88 0A 14 -2,-0.4 14,-0.2 -13,-0.3 3,-0.1 -0.741 19.7-176.5 -85.1 110.6 19.1 -36.5 11.8 75 107 A L E - 0 0 55 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.822 60.5 -37.5 -66.6 -40.0 22.4 -36.8 13.5 76 108 A D E -D 87 0A 55 11,-1.1 11,-2.1 2,-0.0 2,-0.3 -0.938 56.9-145.9-176.1 172.0 23.0 -33.2 14.5 77 109 A W E -D 86 0A 52 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 3.1-157.2-161.8 163.3 22.4 -29.7 13.3 78 110 A F E -D 85 0A 39 7,-2.4 7,-2.5 -2,-0.3 2,-0.3 -1.000 13.1-135.9-144.3 149.2 23.7 -26.2 13.3 79 111 A E E +D 84 0A 112 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.820 24.5 179.1 -99.9 143.8 22.6 -22.6 12.8 80 112 A R - 0 0 78 3,-2.9 -41,-0.0 -2,-0.3 -2,-0.0 -0.676 48.2 -79.2-126.5-177.0 24.5 -20.1 10.7 81 113 A P S S- 0 0 110 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 0.919 123.5 -3.9 -51.8 -52.3 24.0 -16.4 9.7 82 114 A D S S+ 0 0 91 -43,-0.1 -43,-5.3 -44,-0.0 -42,-0.5 0.410 128.2 54.7-124.8 1.9 21.4 -17.2 7.0 83 115 A S E -C 38 0A 20 -45,-0.3 -3,-2.9 -44,-0.1 2,-0.4 -0.913 59.2-141.6-132.1 156.7 21.2 -21.0 6.9 84 116 A F E -CD 37 79A 2 -47,-3.2 -47,-3.1 -2,-0.3 2,-0.4 -0.929 21.7-152.4-105.5 145.6 20.6 -24.0 9.0 85 117 A V E -CD 36 78A 1 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.4 -0.964 7.0-159.5-118.3 134.4 22.8 -27.1 8.2 86 118 A L E -CD 35 77A 2 -51,-2.4 -51,-2.5 -2,-0.4 2,-0.6 -0.934 7.6-149.6-118.4 138.0 21.5 -30.6 9.0 87 119 A I E +CD 34 76A 0 -11,-2.1 -12,-2.5 -2,-0.4 -11,-1.1 -0.923 28.3 172.3-109.0 114.3 23.7 -33.6 9.4 88 120 A L E -CD 33 74A 17 -55,-3.5 -55,-4.2 -2,-0.6 -14,-0.2 -0.892 36.7 -85.2-125.1 150.1 21.9 -36.7 8.3 89 121 A E E -C 32 0A 60 -16,-1.9 -57,-0.2 -2,-0.3 -1,-0.1 -0.029 34.0-154.8 -37.0 144.1 22.7 -40.4 7.7 90 122 A R - 0 0 37 -59,-1.4 2,-0.1 -58,-0.1 -1,-0.1 -0.867 5.9-159.2-128.8 105.0 24.1 -41.4 4.4 91 123 A P - 0 0 22 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.453 20.0-127.0 -67.8 144.2 23.6 -45.0 3.3 92 124 A E S S+ 0 0 141 1,-0.3 2,-0.1 -2,-0.1 52,-0.1 -0.948 85.2 27.0-147.5 146.8 25.8 -46.4 0.7 93 125 A P S S+ 0 0 47 0, 0.0 52,-1.2 0, 0.0 53,-0.4 0.571 91.9 160.8 -71.2 155.5 25.4 -47.7 -1.8 94 126 A V E -G 144 0C 59 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.961 24.3-179.9-140.9 151.2 22.1 -46.0 -2.3 95 127 A Q E -G 143 0C 38 48,-1.3 48,-4.6 -2,-0.3 2,-0.3 -0.976 28.7-122.4-143.0 150.2 19.7 -45.2 -5.0 96 128 A D E > -G 142 0C 37 -2,-0.3 4,-2.4 46,-0.3 3,-0.3 -0.707 28.2-113.7 -90.3 152.0 16.4 -43.3 -4.7 97 129 A L H > S+ 0 0 0 44,-2.5 4,-2.4 41,-0.6 42,-0.2 0.799 113.3 54.7 -57.1 -35.4 13.2 -45.0 -5.9 98 130 A F H > S+ 0 0 83 40,-0.8 4,-2.0 43,-0.3 -1,-0.2 0.979 111.8 42.5 -61.6 -49.2 12.6 -42.6 -8.8 99 131 A D H > S+ 0 0 71 -3,-0.3 4,-1.5 1,-0.3 -2,-0.2 0.842 114.0 53.2 -64.0 -39.3 16.0 -43.2 -10.3 100 132 A F H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.3 0.919 110.9 46.2 -58.9 -46.0 15.6 -46.9 -9.6 101 133 A I H X S+ 0 0 7 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.794 109.6 54.5 -72.3 -30.9 12.2 -46.9 -11.5 102 134 A T H < S+ 0 0 84 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.840 114.6 40.0 -70.8 -34.4 13.6 -44.9 -14.3 103 135 A E H < S+ 0 0 143 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.922 129.3 27.1 -78.0 -47.9 16.5 -47.4 -14.9 104 136 A R H < S- 0 0 110 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.400 96.1-151.3-103.2 1.0 14.6 -50.6 -14.3 105 137 A G < + 0 0 30 -4,-1.2 101,-0.2 -5,-0.2 -1,-0.2 0.000 57.5 8.5 58.8-166.7 11.1 -49.5 -15.4 106 138 A A S S- 0 0 31 99,-0.3 2,-0.3 1,-0.1 98,-0.2 0.003 83.2-125.8 -39.8 145.5 7.9 -51.0 -13.9 107 139 A L - 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0 0 120 -5,-0.5 2,-0.6 21,-0.0 -1,-0.2 -0.828 39.3-141.4-108.3 131.1 -10.5 -43.0 -12.6 221 253 A V - 0 0 7 -2,-0.4 2,-0.4 11,-0.0 15,-0.1 -0.798 15.9-173.2-112.1 122.0 -7.6 -45.3 -12.9 222 254 A F - 0 0 155 -2,-0.6 2,-0.5 -13,-0.1 -2,-0.0 -0.919 16.7-141.0-111.6 132.7 -6.2 -46.8 -16.1 223 255 A F - 0 0 25 -2,-0.4 4,-0.1 1,-0.1 -18,-0.0 -0.797 15.2-175.7 -97.8 126.5 -3.4 -49.4 -16.1 224 256 A R S S+ 0 0 117 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.283 73.9 45.3 -97.7 8.1 -0.8 -49.3 -18.8 225 257 A Q S S- 0 0 98 2,-0.0 2,-0.3 0, 0.0 -21,-0.0 -0.990 101.2 -85.3-154.0 145.6 0.9 -52.5 -17.6 226 258 A R + 0 0 212 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.410 55.1 176.6 -59.2 114.9 -0.3 -56.0 -16.6 227 259 A V - 0 0 3 -2,-0.3 -4,-0.1 -4,-0.1 5,-0.0 -0.974 34.2-103.7-125.3 140.9 -1.2 -55.6 -12.9 228 260 A S > - 0 0 21 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.156 27.5-123.4 -55.5 152.8 -2.7 -58.3 -10.6 229 261 A S H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.845 113.5 53.5 -67.5 -35.0 -6.4 -57.8 -9.8 230 262 A E H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.859 111.2 46.2 -69.6 -33.9 -5.7 -57.8 -6.1 231 263 A C H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.905 109.8 51.7 -75.9 -43.9 -3.1 -55.0 -6.7 232 264 A Q H X S+ 0 0 42 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.913 109.8 53.9 -56.7 -41.3 -5.4 -52.9 -8.9 233 265 A H H X S+ 0 0 110 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.933 108.0 45.6 -55.8 -53.3 -8.0 -53.3 -6.1 234 266 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.927 116.0 50.3 -60.6 -39.7 -5.7 -52.0 -3.4 235 267 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.953 111.5 43.6 -60.8 -56.1 -4.7 -49.1 -5.8 236 268 A R H < S+ 0 0 109 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 115.5 53.0 -60.8 -29.9 -8.3 -48.1 -6.8 237 269 A W H >< S+ 0 0 69 -4,-2.3 3,-1.7 -5,-0.3 -2,-0.2 0.968 106.6 49.0 -69.9 -52.9 -9.2 -48.4 -3.1 238 270 A C H 3< S+ 0 0 0 -4,-3.0 -41,-0.3 1,-0.3 -1,-0.2 0.758 112.3 52.5 -49.7 -32.3 -6.3 -46.1 -1.9 239 271 A L T 3< S+ 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.3 -0.090 74.7 150.7-102.1 32.9 -7.4 -43.6 -4.5 240 272 A A < - 0 0 20 -3,-1.7 6,-0.2 1,-0.1 5,-0.1 -0.509 50.4-132.2 -63.0 127.2 -11.1 -43.5 -3.5 241 273 A L S S+ 0 0 79 -2,-0.3 -62,-0.2 -22,-0.1 -1,-0.1 0.800 93.2 64.2 -53.5 -29.9 -12.4 -40.0 -4.4 242 274 A R S > S- 0 0 162 1,-0.1 3,-1.8 -64,-0.1 4,-0.5 -0.850 78.9-145.0-106.1 124.8 -13.9 -39.6 -1.0 243 275 A P G > S+ 0 0 34 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.823 96.8 54.0 -61.1 -42.2 -11.6 -39.6 1.9 244 276 A S G 3 S+ 0 0 100 1,-0.3 -2,-0.0 0, 0.0 -4,-0.0 0.712 104.3 60.0 -64.5 -24.9 -13.6 -41.4 4.4 245 277 A D G < S+ 0 0 97 -3,-1.8 -1,-0.3 -5,-0.1 -4,-0.1 0.589 86.2 102.2 -76.3 -14.7 -14.0 -44.2 1.9 246 278 A R S < S- 0 0 13 -3,-2.0 2,-0.2 -4,-0.5 -8,-0.2 -0.343 80.7 -98.2 -74.2 155.1 -10.2 -44.7 1.7 247 279 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.490 31.6-131.0 -71.0 137.9 -8.4 -47.6 3.5 248 280 A T > - 0 0 64 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.284 33.2 -99.2 -73.1 172.2 -6.7 -47.1 6.8 249 281 A F H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.923 125.2 53.3 -63.4 -43.1 -3.1 -48.3 7.3 250 282 A E H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.952 109.4 49.0 -52.6 -49.3 -4.3 -51.4 9.1 251 283 A E H 4 S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.861 109.7 50.4 -66.6 -37.9 -6.6 -52.2 6.1 252 284 A I H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.954 113.9 45.1 -61.0 -49.4 -3.9 -51.7 3.6 253 285 A Q H 3< S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.740 112.1 51.8 -71.1 -23.0 -1.6 -54.0 5.5 254 286 A N T 3< S+ 0 0 111 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.268 87.1 120.7 -90.5 11.3 -4.4 -56.6 6.0 255 287 A H S X S- 0 0 9 -3,-1.5 3,-1.8 -5,-0.2 4,-0.3 -0.489 73.4-123.0 -76.1 144.7 -5.1 -56.6 2.3 256 288 A P G > S+ 0 0 80 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.702 112.3 55.3 -58.1 -23.9 -4.8 -59.9 0.3 257 289 A W G 3 S+ 0 0 7 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.630 100.1 61.8 -83.5 -11.8 -2.2 -58.3 -2.1 258 290 A M G < S+ 0 0 0 -3,-1.8 3,-0.5 -6,-0.2 -1,-0.2 0.437 82.6 109.8 -90.3 -2.6 -0.0 -57.4 0.9 259 291 A Q < + 0 0 84 -3,-0.5 -5,-0.0 -4,-0.3 -146,-0.0 -0.405 66.9 28.2 -81.6 151.7 0.5 -61.0 2.0 260 292 A D S S- 0 0 140 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.818 76.8-173.6 75.0 34.8 3.8 -62.9 1.8 261 293 A V - 0 0 48 -3,-0.5 -1,-0.2 -148,-0.1 -150,-0.1 -0.355 22.4-123.1 -62.1 133.2 6.1 -59.9 2.0 262 294 A L - 0 0 23 -152,-0.4 -1,-0.1 1,-0.1 3,-0.0 -0.404 28.4-109.4 -65.4 153.1 9.8 -60.7 1.5 263 295 A L > - 0 0 117 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.479 35.4-105.7 -74.7 159.6 12.1 -59.7 4.3 264 296 A P H > S+ 0 0 45 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.915 117.5 41.3 -59.8 -46.4 14.4 -56.7 3.4 265 297 A Q H >> S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.944 113.0 53.8 -63.4 -52.9 17.6 -58.6 3.0 266 298 A E H 3> S+ 0 0 79 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.892 106.9 54.1 -41.6 -48.9 15.9 -61.4 1.2 267 299 A T H 3X>S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 5,-0.5 0.820 107.8 49.7 -60.9 -37.7 14.5 -58.7 -1.1 268 300 A A H S+ 0 0 0 -4,-1.4 5,-3.2 -3,-0.6 4,-2.0 0.942 111.6 46.9 -67.6 -49.4 18.0 -57.4 -1.9 269 301 A E H <5S+ 0 0 109 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.940 119.2 41.6 -56.3 -46.8 19.4 -60.9 -2.7 270 302 A I H <5S+ 0 0 88 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.720 137.4 7.0 -75.5 -24.7 16.5 -61.6 -4.9 271 303 A H H <5S+ 0 0 19 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.623 128.2 42.8-134.3 -27.8 16.2 -58.2 -6.7 272 304 A L T <