==== 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 3VBY . 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) . 13267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 62.9 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 . 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 . 6 2.2 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 0 152 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.2 8.1 41.8 9.4 2 36 A S + 0 0 115 3,-0.1 22,-0.1 1,-0.0 0, 0.0 0.568 360.0 63.3 -85.4 -25.0 7.6 45.3 10.7 3 37 A Q S S+ 0 0 81 21,-0.1 21,-2.0 1,-0.1 22,-0.5 0.628 104.3 48.2 -70.3 -13.0 11.2 44.7 11.8 4 38 A Y E -A 23 0A 16 19,-0.2 2,-0.7 20,-0.1 19,-0.2 -0.989 66.8-143.7-134.5 134.7 12.6 44.3 8.2 5 39 A Q E -A 22 0A 124 17,-3.1 17,-1.9 -2,-0.4 2,-0.3 -0.859 26.6-144.3 -89.8 114.5 12.3 46.3 4.9 6 40 A V E +A 21 0A 81 -2,-0.7 15,-0.3 15,-0.2 3,-0.1 -0.613 24.1 171.9 -78.5 133.7 12.2 43.8 2.0 7 41 A G E - 0 0 31 13,-3.7 3,-0.1 -2,-0.3 -1,-0.1 -0.223 44.5 -18.6-113.7-149.4 13.9 44.7 -1.3 8 42 A P E - 0 0 92 0, 0.0 12,-3.0 0, 0.0 2,-0.3 -0.142 66.4-106.6 -56.4 144.7 14.6 42.8 -4.5 9 43 A L E -A 19 0A 87 10,-0.3 10,-0.3 1,-0.2 3,-0.1 -0.589 29.3-165.8 -64.9 126.5 14.7 39.0 -4.8 10 44 A L E - 0 0 101 8,-3.5 2,-0.3 1,-0.4 9,-0.2 0.855 57.5 -46.5 -85.0 -42.8 18.3 38.0 -5.0 11 45 A G E -A 18 0A 25 7,-1.4 7,-2.8 2,-0.0 -1,-0.4 -0.983 45.2-144.5-172.9 178.0 17.7 34.4 -6.2 12 46 A S E +A 17 0A 80 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.979 33.0 120.7-155.1 158.7 15.9 31.2 -5.7 13 47 A G E > S-A 16 0A 46 3,-1.8 3,-1.9 -2,-0.3 -2,-0.0 -0.909 81.5 -29.9 175.5-154.1 16.6 27.6 -6.0 14 48 A G T 3 S+ 0 0 83 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.671 130.9 61.1 -65.4 -17.4 16.6 24.5 -3.9 15 49 A F T 3 S- 0 0 63 1,-0.3 2,-0.4 20,-0.0 -1,-0.3 0.530 112.4-116.5 -83.3 -9.5 17.4 26.8 -0.8 16 50 A G E < -A 13 0A 17 -3,-1.9 -3,-1.8 19,-0.1 2,-0.4 -0.895 54.2 -35.2 109.1-139.9 14.2 28.8 -1.2 17 51 A S E -AB 12 34A 38 17,-2.3 17,-2.2 -2,-0.4 2,-0.5 -0.987 48.8-158.4-130.8 129.2 14.1 32.5 -2.0 18 52 A V E -AB 11 33A 25 -7,-2.8 -8,-3.5 -2,-0.4 -7,-1.4 -0.949 11.2-170.3-113.9 122.4 16.6 35.1 -0.8 19 53 A Y E -AB 9 32A 75 13,-3.0 13,-2.8 -2,-0.5 -10,-0.3 -0.837 25.6-118.4-107.6 153.3 15.6 38.7 -0.7 20 54 A S E + B 0 31A 17 -12,-3.0 -13,-3.7 -2,-0.3 2,-0.3 -0.593 48.5 163.9 -80.7 145.3 17.7 41.7 -0.1 21 55 A G E -AB 6 30A 0 9,-2.6 9,-3.1 -15,-0.3 2,-0.4 -0.951 34.0-132.8-154.9 174.1 16.5 43.5 2.9 22 56 A I E -AB 5 29A 52 -17,-1.9 -17,-3.1 -2,-0.3 2,-0.6 -0.998 23.6-126.2-134.6 138.0 17.3 46.1 5.6 23 57 A R E >> -AB 4 28A 48 5,-2.6 4,-1.1 -2,-0.4 5,-0.6 -0.759 20.8-149.2 -83.6 123.5 16.7 45.7 9.3 24 58 A V T >45S+ 0 0 75 -21,-2.0 3,-0.7 -2,-0.6 -1,-0.2 0.930 86.6 67.1 -65.1 -44.6 14.6 48.7 10.2 25 59 A S T 345S- 0 0 93 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.849 128.6 -0.5 -42.6 -49.4 16.0 49.2 13.8 26 60 A D T 345S- 0 0 86 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.087 96.4-109.0-132.1 25.9 19.6 50.2 12.6 27 61 A N T <<5 + 0 0 124 -4,-1.1 -3,-0.2 -3,-0.7 -2,-0.1 0.697 57.8 165.0 44.2 31.0 19.5 50.1 8.7 28 62 A L E < -B 23 0A 65 -5,-0.6 -5,-2.6 1,-0.1 -1,-0.2 -0.562 41.2-117.6 -74.0 128.7 21.7 47.0 8.7 29 63 A P E +B 22 0A 31 0, 0.0 56,-1.1 0, 0.0 2,-0.3 -0.431 43.7 175.8 -61.5 134.8 21.7 45.3 5.3 30 64 A V E -BC 21 84A 0 -9,-3.1 -9,-2.6 54,-0.2 2,-0.4 -0.922 31.6-133.5-134.7 162.9 20.3 41.8 5.5 31 65 A A E -BC 20 83A 11 52,-2.1 52,-3.1 -2,-0.3 2,-0.5 -0.959 21.5-154.0-111.1 137.4 19.3 38.8 3.3 32 66 A I E -BC 19 82A 8 -13,-2.8 -13,-3.0 -2,-0.4 2,-0.5 -0.978 12.0-167.9-116.7 115.0 15.9 37.4 4.1 33 67 A K E -BC 18 81A 8 48,-2.5 48,-2.7 -2,-0.5 2,-0.4 -0.929 4.5-168.3-118.7 126.0 15.6 33.7 3.1 34 68 A H E -BC 17 80A 43 -17,-2.2 -17,-2.3 -2,-0.5 2,-0.4 -0.918 4.9-179.1-110.6 130.8 12.3 31.8 3.0 35 69 A V E - C 0 79A 12 44,-1.6 44,-1.9 -2,-0.4 2,-0.2 -0.988 29.9-121.1-119.5 144.5 11.9 28.0 2.7 36 70 A E E > - C 0 78A 105 -2,-0.4 3,-1.0 42,-0.2 4,-0.5 -0.555 21.6-128.5 -75.1 138.1 8.6 26.2 2.5 37 71 A K G > S+ 0 0 43 40,-2.7 3,-1.2 1,-0.2 41,-0.1 0.880 109.6 57.9 -54.3 -37.6 8.3 23.7 5.4 38 72 A D G 3 S+ 0 0 146 39,-0.4 -1,-0.2 1,-0.3 40,-0.1 0.765 103.0 53.6 -62.9 -28.0 7.4 21.0 2.8 39 73 A R G < S+ 0 0 176 -3,-1.0 2,-0.6 -24,-0.0 -1,-0.3 0.502 83.6 103.8 -92.4 -3.3 10.7 21.6 1.0 40 74 A I < - 0 0 23 -3,-1.2 3,-0.1 -4,-0.5 -25,-0.0 -0.702 46.0-178.2 -78.4 115.9 12.8 21.1 4.2 41 75 A S + 0 0 93 -2,-0.6 2,-0.4 110,-0.2 -1,-0.2 0.897 64.6 39.4 -75.6 -40.7 14.5 17.6 4.1 42 76 A D - 0 0 72 109,-0.2 9,-2.7 0, 0.0 10,-0.4 -0.939 64.2-174.5-131.9 130.0 16.3 17.7 7.4 43 77 A W E +E 50 0B 65 -2,-0.4 2,-0.2 7,-0.3 5,-0.1 -0.836 8.8 157.2-127.3 157.5 15.4 19.0 11.0 44 78 A G E E 49 0B 18 5,-2.8 5,-2.0 -2,-0.3 7,-0.1 -0.713 360.0 360.0-147.9-157.2 16.8 19.5 14.5 45 79 A E 0 0 183 3,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.960 360.0 360.0-159.8 360.0 16.5 21.4 17.8 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 0 129 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 145.4 11.4 23.3 19.3 48 85 A R + 0 0 167 -3,-0.1 -3,-0.2 -5,-0.1 3,-0.0 -0.676 360.0 166.5 -79.3 111.1 11.7 21.8 15.8 49 86 A V E -E 44 0B 10 -5,-2.0 -5,-2.8 -2,-0.6 2,-0.1 -0.800 44.9 -87.9-114.7 161.9 13.9 24.0 13.5 50 87 A P E >> -E 43 0B 4 0, 0.0 4,-1.4 0, 0.0 3,-1.2 -0.435 39.2-115.2 -62.2 147.8 15.4 23.2 10.1 51 88 A M H 3> S+ 0 0 28 -9,-2.7 4,-3.0 1,-0.3 5,-0.2 0.910 115.6 67.1 -48.4 -39.1 18.8 21.7 10.4 52 89 A E H 3> S+ 0 0 17 -10,-0.4 4,-3.3 1,-0.3 -1,-0.3 0.847 99.8 49.2 -53.3 -39.6 20.1 24.8 8.6 53 90 A V H <> S+ 0 0 2 -3,-1.2 4,-2.4 2,-0.2 -1,-0.3 0.914 110.6 48.9 -68.4 -44.5 19.1 26.9 11.7 54 91 A V H X S+ 0 0 21 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.961 115.2 45.9 -57.3 -45.7 20.9 24.5 14.1 55 92 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 3,-0.2 0.947 112.7 49.7 -68.9 -48.4 24.0 24.6 11.9 56 93 A L H X S+ 0 0 4 -4,-3.3 4,-1.2 -5,-0.2 13,-0.4 0.832 108.9 51.8 -54.5 -37.4 23.9 28.4 11.5 57 94 A K H < S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 109.0 51.5 -70.4 -32.9 23.6 29.0 15.3 58 95 A K H < S+ 0 0 92 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.883 119.4 34.6 -74.0 -30.0 26.5 26.8 15.9 59 96 A V H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.509 101.6 75.7 -97.8 -2.4 28.7 28.7 13.4 60 97 A S < + 0 0 13 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.2 0.271 65.9 112.5 -96.6 11.6 27.4 32.2 13.8 61 98 A S S S- 0 0 94 -3,-0.3 -3,-0.0 -4,-0.2 -4,-0.0 -0.682 84.1 -17.8 -89.9 140.5 29.1 33.0 17.1 62 99 A G S S- 0 0 46 -2,-0.3 2,-0.2 2,-0.0 0, 0.0 -0.094 110.3 -36.0 51.4-162.7 31.8 35.6 17.1 63 100 A F + 0 0 195 2,-0.0 2,-0.3 5,-0.0 -2,-0.1 -0.576 69.6 135.3 -90.7 149.3 33.3 36.5 13.7 64 101 A S - 0 0 26 2,-0.3 4,-0.1 -2,-0.2 53,-0.1 -0.981 64.3 -85.2-164.0-172.3 34.1 34.4 10.7 65 102 A G S S+ 0 0 18 -2,-0.3 82,-2.6 48,-0.1 2,-0.4 -0.115 94.4 100.3 -86.9 31.9 34.0 33.8 7.0 66 103 A V B S-f 147 0C 0 80,-0.3 2,-0.4 -7,-0.1 -2,-0.3 -0.974 85.1-114.3-115.7 131.4 30.4 32.5 7.4 67 104 A I - 0 0 7 80,-2.4 2,-0.2 -2,-0.4 -2,-0.1 -0.582 47.6-129.5 -56.2 120.5 27.3 34.6 6.6 68 105 A R - 0 0 55 -2,-0.4 16,-2.0 -4,-0.1 2,-0.6 -0.502 2.1-125.5 -85.5 146.5 25.9 34.9 10.1 69 106 A L E +D 83 0A 19 -13,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.821 26.9 178.9 -90.6 119.4 22.4 34.1 11.2 70 107 A L E - 0 0 51 12,-2.5 2,-0.3 -2,-0.6 13,-0.2 0.750 63.2 -26.2 -90.7 -30.9 21.0 37.2 13.0 71 108 A D E -D 82 0A 56 11,-1.2 11,-3.3 2,-0.0 -1,-0.4 -0.947 55.0-151.7-173.3 162.5 17.5 35.9 13.7 72 109 A W E -D 81 0A 72 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.959 5.0-158.5-146.8 160.7 14.9 33.5 12.4 73 110 A F E -D 80 0A 65 7,-2.6 7,-2.7 -2,-0.3 2,-0.5 -0.960 13.5-137.0-135.1 152.0 11.1 33.3 12.4 74 111 A E E -D 79 0A 99 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.960 21.1-171.2-112.1 126.0 8.7 30.5 12.0 75 112 A R - 0 0 99 3,-3.1 3,-0.3 -2,-0.5 -2,-0.0 -0.654 43.2 -94.9-104.8 170.7 5.7 31.1 9.9 76 113 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.938 120.4 10.9 -57.4 -43.2 2.8 28.7 9.6 77 114 A D S S+ 0 0 120 -40,-0.0 -40,-2.7 -41,-0.0 -39,-0.4 0.243 129.3 34.7-118.6 16.8 4.2 27.1 6.4 78 115 A S E -C 36 0A 20 -3,-0.3 -3,-3.1 -42,-0.3 2,-0.4 -0.967 65.6-125.3-153.2 167.9 7.8 28.4 6.1 79 116 A F E -CD 35 74A 0 -44,-1.9 -44,-1.6 -2,-0.3 2,-0.5 -0.957 20.1-151.4-117.4 144.7 10.8 29.5 8.1 80 117 A V E -CD 34 73A 9 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.5 -0.958 7.7-162.2-122.3 125.3 12.4 32.8 7.6 81 118 A L E -CD 33 72A 0 -48,-2.7 -48,-2.5 -2,-0.5 2,-0.6 -0.897 7.7-151.5-109.6 134.6 16.1 33.4 8.2 82 119 A I E +CD 32 71A 2 -11,-3.3 -12,-2.5 -2,-0.5 -11,-1.2 -0.920 27.7 174.9-105.9 123.3 17.6 36.7 8.7 83 120 A L E -CD 31 69A 19 -52,-3.1 -52,-2.1 -2,-0.6 -14,-0.2 -0.875 34.4 -89.8-126.5 158.9 21.2 36.7 7.6 84 121 A E E -C 30 0A 53 -16,-2.0 -54,-0.2 -2,-0.3 -1,-0.0 -0.310 34.0-158.4 -56.6 146.1 24.0 39.2 7.1 85 122 A R - 0 0 39 -56,-1.1 2,-0.1 -55,-0.1 -1,-0.0 -0.897 2.7-155.1-134.8 107.4 24.4 40.9 3.9 86 123 A P - 0 0 16 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.414 27.7-120.4 -62.9 151.0 27.7 42.4 2.8 87 124 A E S S+ 0 0 127 1,-0.3 52,-0.1 -2,-0.1 2,-0.1 -0.916 93.2 25.9-152.6 120.1 27.3 45.3 0.3 88 125 A P S S+ 0 0 54 0, 0.0 52,-2.3 0, 0.0 53,-0.5 0.449 90.6 164.6 -77.9 149.0 28.5 45.3 -2.5 89 126 A V E +G 139 0C 52 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.935 18.5 179.4-133.3 149.6 28.5 41.5 -2.8 90 127 A Q E -G 138 0C 36 48,-1.6 48,-2.6 -2,-0.3 2,-0.1 -0.965 29.6-119.1-148.4 137.7 28.9 39.0 -5.7 91 128 A D E > -G 137 0C 37 -2,-0.3 4,-2.4 46,-0.2 46,-0.2 -0.399 27.0-116.8 -75.8 156.4 29.0 35.2 -5.6 92 129 A L H > S+ 0 0 0 44,-2.3 4,-2.6 41,-1.2 42,-0.2 0.839 111.8 58.7 -69.1 -32.4 32.1 33.5 -6.8 93 130 A F H > S+ 0 0 87 40,-0.7 4,-2.9 43,-0.3 -1,-0.2 0.977 110.3 41.8 -55.5 -55.4 30.3 31.8 -9.7 94 131 A D H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 113.3 54.9 -58.0 -41.8 29.1 35.1 -11.2 95 132 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.912 111.4 43.1 -61.3 -41.8 32.5 36.5 -10.5 96 133 A I H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.886 108.4 58.1 -70.8 -42.3 34.2 33.7 -12.4 97 134 A T H < S+ 0 0 95 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.926 114.8 39.6 -49.3 -42.5 31.7 33.8 -15.3 98 135 A E H < S+ 0 0 141 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.856 126.9 29.8 -78.2 -39.7 32.7 37.5 -15.8 99 136 A R H < S- 0 0 121 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.539 94.0-147.5-102.7 -3.2 36.4 37.4 -15.3 100 137 A G < + 0 0 30 -4,-2.3 -1,-0.3 -5,-0.2 101,-0.2 -0.335 63.5 6.0 65.2-154.5 37.2 33.9 -16.5 101 138 A A S S- 0 0 31 99,-0.4 2,-0.3 1,-0.1 98,-0.2 -0.304 85.5-122.3 -61.0 139.5 40.0 31.9 -14.8 102 139 A L - 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0 0 111 -5,-0.4 2,-0.6 1,-0.0 -1,-0.2 -0.720 38.1-146.6 -90.8 124.8 42.3 12.4 -14.0 216 253 A V - 0 0 5 -2,-0.5 2,-0.5 -3,-0.1 -11,-0.1 -0.856 12.9-169.8-103.7 119.0 42.7 16.1 -14.1 217 254 A F - 0 0 153 -2,-0.6 2,-0.5 -13,-0.2 -2,-0.0 -0.895 14.9-141.9-104.9 127.1 43.3 18.0 -17.3 218 255 A F + 0 0 24 -2,-0.5 3,-0.0 1,-0.1 4,-0.0 -0.741 19.4 178.4 -93.6 129.9 44.3 21.7 -17.3 219 256 A R S S+ 0 0 115 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.617 70.9 48.9-106.5 -21.5 42.8 23.9 -19.9 220 257 A Q S S- 0 0 99 0, 0.0 2,-0.5 0, 0.0 -19,-0.0 -0.848 102.2 -90.7-105.6 159.5 44.5 27.1 -18.7 221 258 A R + 0 0 209 -2,-0.3 2,-0.4 -3,-0.0 -2,-0.1 -0.553 54.4 173.0 -64.3 119.6 48.1 27.7 -17.8 222 259 A V - 0 0 3 -2,-0.5 -4,-0.1 -4,-0.0 5,-0.1 -0.995 35.8-104.2-135.8 131.1 48.3 26.9 -14.0 223 260 A S > - 0 0 29 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.127 30.1-117.0 -50.3 148.1 51.6 26.7 -12.0 224 261 A S H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.812 115.0 55.1 -56.3 -34.4 52.9 23.2 -11.1 225 262 A E H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 27,-0.3 0.919 110.6 46.6 -70.8 -38.3 52.4 23.8 -7.3 226 263 A C H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.950 111.6 48.9 -66.4 -48.0 48.8 24.7 -7.9 227 264 A Q H X S+ 0 0 47 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.869 112.8 51.6 -58.0 -35.6 48.2 21.7 -10.2 228 265 A H H X S+ 0 0 105 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.943 108.6 47.5 -70.2 -48.6 49.8 19.6 -7.4 229 266 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.898 114.1 50.0 -54.9 -39.0 47.7 21.0 -4.6 230 267 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.929 110.8 47.1 -67.5 -44.7 44.6 20.4 -6.8 231 268 A R H < S+ 0 0 95 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.876 110.5 53.3 -71.7 -29.7 45.5 16.9 -7.6 232 269 A W H >< S+ 0 0 75 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.929 109.1 48.3 -65.3 -45.3 46.3 16.2 -3.9 233 270 A C H 3< S+ 0 0 0 -4,-2.3 -41,-0.2 1,-0.3 -2,-0.2 0.818 112.9 51.0 -62.8 -31.0 42.8 17.4 -2.9 234 271 A L T 3< S+ 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.020 76.5 146.3-100.8 30.8 41.4 15.3 -5.7 235 272 A A < - 0 0 18 -3,-1.6 6,-0.1 1,-0.1 -3,-0.1 -0.421 51.4-133.8 -58.4 134.3 43.2 12.1 -4.6 236 273 A L S S+ 0 0 78 -23,-0.1 -62,-0.1 -22,-0.1 -1,-0.1 0.892 92.0 66.7 -61.5 -44.4 40.8 9.2 -5.4 237 274 A R S > S- 0 0 151 1,-0.2 3,-1.8 -64,-0.1 4,-0.5 -0.722 82.8-140.2 -79.5 120.4 41.4 7.5 -2.0 238 275 A P G > S+ 0 0 47 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.852 100.8 55.7 -41.3 -45.5 39.9 9.7 0.7 239 276 A S G 3 S+ 0 0 96 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.738 98.0 62.0 -73.3 -17.7 42.9 9.0 3.1 240 277 A D G < S+ 0 0 69 -3,-1.8 -1,-0.3 2,-0.0 -4,-0.1 0.548 85.7 101.0 -77.7 -6.7 45.4 10.2 0.5 241 278 A R S < S- 0 0 13 -3,-1.9 -8,-0.2 -4,-0.5 2,-0.1 -0.379 81.2-104.2 -75.6 155.7 43.7 13.8 0.6 242 279 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.470 26.4-122.3 -79.0 151.7 45.4 16.5 2.6 243 280 A T > - 0 0 76 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.346 38.1-100.2 -74.1 170.8 44.1 17.7 6.0 244 281 A F H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 127.0 55.0 -63.4 -36.0 43.2 21.4 6.2 245 282 A E H > S+ 0 0 138 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.896 106.9 47.3 -62.6 -48.6 46.5 21.9 7.9 246 283 A E H 4 S+ 0 0 83 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.842 111.1 52.7 -61.0 -34.5 48.4 20.2 5.1 247 284 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 6,-0.3 0.952 111.9 45.0 -65.5 -47.9 46.5 22.3 2.5 248 285 A Q H 3< S+ 0 0 10 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.664 113.3 50.8 -72.4 -16.6 47.4 25.5 4.3 249 286 A N T 3< S+ 0 0 104 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.423 85.8 117.1 -94.6 -0.2 51.0 24.4 4.7 250 287 A H S X S- 0 0 8 -3,-1.2 3,-1.4 -4,-0.4 4,-0.3 -0.370 76.6-119.9 -64.9 144.2 51.3 23.6 1.0 251 288 A P G > S+ 0 0 73 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.800 111.9 59.7 -56.3 -31.6 53.8 25.7 -0.9 252 289 A W G 3 S+ 0 0 2 1,-0.3 -26,-0.1 -27,-0.3 -4,-0.1 0.780 103.9 55.2 -69.0 -23.0 51.1 27.2 -3.3 253 290 A M G X S+ 0 0 2 -3,-1.4 3,-0.6 -6,-0.3 -1,-0.3 0.413 81.5 112.0 -89.3 -1.7 49.4 28.6 -0.2 254 291 A Q T < S+ 0 0 84 -3,-1.2 -5,-0.1 -4,-0.3 -146,-0.0 -0.314 75.1 19.1 -68.7 157.8 52.3 30.5 1.3 255 292 A D T 3 S- 0 0 154 1,-0.1 -1,-0.2 -147,-0.0 -147,-0.0 0.799 79.7-172.6 60.1 34.9 52.3 34.4 1.4 256 293 A V < - 0 0 39 -3,-0.6 -1,-0.1 -148,-0.1 2,-0.1 -0.248 25.4-113.5 -56.6 140.9 48.5 34.8 1.0 257 294 A L - 0 0 26 -152,-0.4 -1,-0.1 1,-0.1 3,-0.0 -0.507 32.1-106.5 -68.3 149.9 47.3 38.4 0.5 258 295 A L > - 0 0 115 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.392 34.3-110.2 -61.9 155.1 45.2 40.0 3.3 259 296 A P H > S+ 0 0 40 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.958 119.8 50.5 -60.4 -46.7 41.5 40.3 2.3 260 297 A Q H > S+ 0 0 79 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.903 110.3 48.5 -55.0 -47.3 41.8 44.0 2.1 261 298 A E H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.859 108.0 57.8 -55.5 -36.5 44.9 43.9 -0.1 262 299 A T H X>S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.5 0.921 107.2 45.5 -66.2 -42.1 43.1 41.4 -2.3 263 300 A A H X>S+ 0 0 1 -4,-2.0 4,-1.9 -121,-0.3 5,-1.6 0.906 112.7 51.4 -67.5 -37.5 40.3 43.9 -2.9 264 301 A E H <5S+ 0 0 134 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.959 119.5 33.0 -68.9 -47.2 42.7 46.7 -3.6 265 302 A I H <5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.891 137.5 17.7 -70.0 -39.7 44.8 44.8 -6.2 266 303 A H H <5S+ 0 0 16 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.659 127.9 36.3-117.0 -24.4 42.0 42.7 -7.7 267 304 A L T << 0 0 18 -4,-1.9 -3,-0.2 -5,-0.5 -4,-0.1 0.553 360.0 360.0-113.9 -9.4 38.6 43.9 -7.0 268 305 A H < 0 0 204 -5,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 -0.586 360.0 360.0 72.6 360.0 39.1 47.8 -7.1