==== 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 3VBW . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LIU . 264 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 17.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 2 2 1 0 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 . 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 0 125 0, 0.0 5,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 122.0 7.2 42.1 9.2 2 36 A S + 0 0 108 1,-0.1 3,-0.1 3,-0.1 19,-0.0 0.382 360.0 74.3-101.4 -0.9 7.7 45.8 10.0 3 37 A Q S S+ 0 0 78 1,-0.1 18,-1.5 18,-0.1 19,-0.5 0.688 103.1 36.5 -85.3 -16.6 11.0 45.0 11.6 4 38 A Y E S-A 20 0A 11 16,-0.2 2,-0.7 17,-0.1 16,-0.2 -0.978 74.6-134.6-129.7 149.0 12.6 44.5 8.2 5 39 A Q E -A 19 0A 113 14,-3.1 14,-1.4 -2,-0.4 2,-0.3 -0.919 24.9-144.0-100.1 114.4 12.2 46.3 5.0 6 40 A V E +A 18 0A 85 -2,-0.7 12,-0.2 -5,-0.2 3,-0.1 -0.566 24.9 172.8 -71.2 133.1 12.0 43.7 2.1 7 41 A G E - 0 0 32 10,-3.6 -1,-0.1 1,-0.3 11,-0.1 -0.323 41.4 -27.7-121.4-149.5 13.6 44.7 -1.2 8 42 A P E - 0 0 95 0, 0.0 9,-2.9 0, 0.0 -1,-0.3 -0.259 66.7 -98.5 -77.4 160.1 14.2 42.8 -4.5 9 43 A L E -A 16 0A 95 7,-0.2 7,-0.3 1,-0.1 5,-0.0 -0.476 21.8-161.4 -75.7 130.9 14.7 39.1 -4.9 10 44 A L 0 0 100 5,-2.9 6,-0.2 1,-0.4 -1,-0.1 0.608 360.0 360.0 -83.0 -14.2 18.4 37.9 -5.1 11 45 A G 0 0 58 4,-0.8 4,-2.0 2,-0.1 -1,-0.4 -0.840 360.0 360.0 146.6 360.0 17.4 34.5 -6.7 12 ! 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 13 50 A G 0 0 113 0, 0.0 2,-0.4 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 143.5 15.2 29.2 -3.9 14 51 A S E + B 0 31A 52 17,-0.6 17,-2.8 -4,-0.1 2,-0.4 -0.840 360.0 151.4-136.4 93.9 13.9 32.5 -2.4 15 52 A V E - B 0 30A 38 -4,-2.0 -5,-2.9 -2,-0.4 -4,-0.8 -0.988 23.8-160.0-125.4 130.6 16.3 35.0 -0.7 16 53 A Y E -AB 9 29A 71 13,-2.6 13,-2.5 -2,-0.4 -7,-0.2 -0.877 22.7-114.1-119.3 148.8 15.5 38.8 -0.7 17 54 A S E + B 0 28A 18 -9,-2.9 -10,-3.6 -2,-0.3 2,-0.3 -0.507 49.1 170.4 -72.7 140.2 17.5 42.0 -0.2 18 55 A G E -AB 6 27A 1 9,-2.8 9,-2.3 -12,-0.2 2,-0.4 -0.901 30.6-141.3-148.4 174.5 16.4 43.6 3.0 19 56 A I E -AB 5 26A 57 -14,-1.4 -14,-3.1 -2,-0.3 2,-0.6 -0.982 25.9-122.4-146.6 124.0 17.2 46.3 5.4 20 57 A R E >>> -AB 4 25A 58 5,-2.3 4,-2.0 -2,-0.4 3,-1.0 -0.617 21.5-149.4 -73.4 114.9 16.9 46.1 9.2 21 58 A V T 345S+ 0 0 79 -18,-1.5 3,-0.2 -2,-0.6 -1,-0.2 0.886 89.1 60.8 -58.0 -42.0 14.5 48.9 10.0 22 59 A S T 345S- 0 0 90 -19,-0.5 -1,-0.2 1,-0.2 -18,-0.1 0.743 131.3 -1.1 -57.7 -32.8 16.1 49.6 13.5 23 60 A D T <45S- 0 0 82 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.248 94.3-110.1-146.2 21.2 19.6 50.4 12.3 24 61 A N T <5 + 0 0 122 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.0 0.781 54.8 167.7 47.9 34.7 19.6 50.1 8.4 25 62 A L E < -B 20 0A 58 -5,-0.6 -5,-2.3 1,-0.1 -1,-0.2 -0.630 40.3-118.8 -74.8 120.7 21.8 47.0 8.5 26 63 A P E +B 19 0A 36 0, 0.0 57,-0.8 0, 0.0 2,-0.3 -0.336 45.3 173.8 -54.7 142.4 21.7 45.4 5.1 27 64 A V E -BC 18 82A 0 -9,-2.3 -9,-2.8 55,-0.2 2,-0.4 -0.962 33.0-134.1-143.9 163.9 20.3 41.9 5.3 28 65 A A E -BC 17 81A 10 53,-2.4 53,-3.0 -2,-0.3 2,-0.6 -0.969 20.0-151.9-117.2 134.6 19.2 39.0 3.2 29 66 A I E -BC 16 80A 8 -13,-2.5 -13,-2.6 -2,-0.4 2,-0.5 -0.955 13.2-163.1-113.9 114.1 15.9 37.4 4.1 30 67 A K E -BC 15 79A 31 49,-3.1 49,-2.7 -2,-0.6 2,-0.5 -0.846 4.7-156.3-109.7 130.0 15.7 33.8 3.3 31 68 A H E -BC 14 78A 49 -17,-2.8 -17,-0.6 -2,-0.5 2,-0.5 -0.885 8.6-173.9-110.9 130.4 12.5 31.8 3.0 32 69 A V E - C 0 77A 20 45,-2.6 45,-2.3 -2,-0.5 2,-0.2 -0.978 19.9-135.4-124.1 117.7 12.5 28.1 3.4 33 70 A E E > - C 0 76A 90 -2,-0.5 3,-1.1 43,-0.2 43,-0.3 -0.554 12.3-134.6 -73.5 137.0 9.3 26.1 2.9 34 71 A K G > S+ 0 0 44 41,-2.4 3,-1.1 1,-0.3 42,-0.1 0.775 104.2 65.4 -65.0 -28.5 8.5 23.5 5.5 35 72 A D G 3 S+ 0 0 119 40,-0.4 -1,-0.3 1,-0.2 41,-0.1 0.828 98.5 52.7 -52.4 -43.4 7.8 21.1 2.7 36 73 A R G < S+ 0 0 197 -3,-1.1 2,-0.7 1,-0.0 -1,-0.2 0.079 83.6 104.9 -91.6 24.3 11.3 21.2 1.5 37 74 A I < + 0 0 22 -3,-1.1 3,-0.1 1,-0.1 -1,-0.0 -0.860 28.1 161.3-109.1 105.7 12.9 20.3 4.8 38 75 A S + 0 0 108 -2,-0.7 2,-0.5 1,-0.2 -1,-0.1 0.571 69.7 64.2 -90.3 -7.2 14.2 16.7 5.0 39 76 A D + 0 0 57 -3,-0.1 10,-3.2 110,-0.1 11,-0.4 -0.911 60.5 169.6-127.8 106.2 16.4 17.8 8.0 40 77 A W E +E 48 0B 72 -2,-0.5 2,-0.2 8,-0.3 6,-0.1 -0.819 2.8 159.7-113.9 153.1 15.1 19.0 11.4 41 78 A G E -E 47 0B 15 6,-3.2 6,-2.1 -2,-0.3 2,-0.3 -0.529 12.8-175.1-140.8-150.5 16.9 19.7 14.7 42 79 A E E E 46 0B 119 4,-0.2 4,-0.2 -2,-0.2 -2,-0.0 -0.986 360.0 360.0-175.6-176.4 16.2 21.7 17.9 43 80 A L 0 0 185 2,-0.7 3,-0.1 -2,-0.3 -1,-0.1 -0.034 360.0 360.0-153.3 360.0 16.9 23.2 21.5 44 ! 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 45 84 A T 0 0 136 0, 0.0 -2,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 167.9 11.3 22.9 19.9 46 85 A R E +E 42 0B 166 -4,-0.2 -4,-0.2 -3,-0.1 -6,-0.0 -0.454 360.0 159.0 -88.7 121.7 11.5 21.9 16.1 47 86 A V E -E 41 0B 11 -6,-2.1 -6,-3.2 -2,-0.3 25,-0.0 -0.908 46.2 -87.7-133.1 161.7 13.7 23.7 13.5 48 87 A P E > -E 40 0B 4 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.395 38.1-124.5 -57.2 146.6 15.4 23.2 10.1 49 88 A M H > S+ 0 0 28 -10,-3.2 4,-2.7 1,-0.2 5,-0.3 0.889 111.3 68.5 -62.7 -36.6 18.8 21.8 10.6 50 89 A E H > S+ 0 0 22 -11,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.876 101.4 46.0 -49.8 -41.3 20.0 24.8 8.5 51 90 A V H > S+ 0 0 1 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.907 110.5 52.5 -65.0 -45.1 19.0 27.0 11.5 52 91 A V H X S+ 0 0 15 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.958 113.5 44.6 -53.3 -49.4 20.7 24.7 14.1 53 92 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.896 111.5 52.1 -65.8 -44.1 23.9 24.8 12.1 54 93 A L H X S+ 0 0 5 -4,-2.3 4,-1.2 -5,-0.3 13,-0.4 0.893 107.6 51.8 -59.6 -39.8 23.7 28.5 11.5 55 94 A K H < S+ 0 0 122 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.904 109.8 51.8 -66.9 -37.4 23.3 29.2 15.3 56 95 A K H < S+ 0 0 90 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.811 117.3 37.0 -68.1 -30.7 26.4 27.0 15.9 57 96 A V H < S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.520 100.3 75.5 -98.8 -1.2 28.5 29.0 13.4 58 97 A S < + 0 0 14 -4,-1.2 2,-0.4 -3,-0.4 -1,-0.2 0.432 64.9 112.9 -95.9 4.2 27.2 32.5 14.0 59 98 A S S S- 0 0 90 -3,-0.3 -3,-0.0 -4,-0.3 -4,-0.0 -0.627 84.7 -20.8 -78.9 125.5 29.0 33.0 17.2 60 99 A G S S- 0 0 44 -2,-0.4 2,-0.2 0, 0.0 0, 0.0 -0.193 107.9 -17.4 71.6-172.9 31.7 35.7 17.0 61 100 A F S S- 0 0 178 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 -0.582 70.6-119.9 -85.0 159.8 33.2 36.7 13.7 62 101 A S + 0 0 42 -2,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.870 58.3 160.5-180.0-161.8 33.3 35.4 10.8 63 102 A G S S+ 0 0 15 1,-0.2 82,-2.1 55,-0.1 2,-0.4 0.016 94.5 75.6 96.3 -23.6 34.1 33.8 7.4 64 103 A V B S-f 145 0C 0 80,-0.3 2,-0.3 -7,-0.2 -1,-0.2 -0.961 96.6-108.3-119.8 135.1 30.5 32.6 7.3 65 104 A I - 0 0 5 80,-2.2 2,-0.2 -2,-0.4 82,-0.1 -0.553 48.7-127.1 -60.3 123.2 27.4 34.8 6.6 66 105 A R - 0 0 61 -2,-0.3 16,-1.9 -8,-0.1 2,-0.7 -0.458 2.7-127.1 -81.7 146.4 25.9 35.0 10.1 67 106 A L E -D 81 0A 18 -13,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.853 26.4-179.1 -87.6 117.2 22.3 34.2 11.1 68 107 A L E - 0 0 59 12,-2.7 2,-0.3 -2,-0.7 13,-0.2 0.726 61.2 -27.7 -93.7 -24.3 21.0 37.3 12.9 69 108 A D E -D 80 0A 55 11,-1.3 11,-2.6 2,-0.0 -1,-0.3 -0.952 55.9-154.8-176.3 166.0 17.5 36.1 13.7 70 109 A W E -D 79 0A 72 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.969 3.4-156.6-153.0 159.7 14.8 33.8 12.4 71 110 A F E -D 78 0A 50 7,-2.4 7,-2.8 -2,-0.3 2,-0.4 -0.966 14.6-131.7-133.4 151.1 11.0 33.5 12.5 72 111 A E E -D 77 0A 116 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.900 23.1-174.0 -99.9 134.8 8.6 30.7 12.1 73 112 A R - 0 0 112 3,-3.5 3,-0.3 -2,-0.4 -2,-0.0 -0.708 43.6 -94.9-112.8 169.9 5.5 31.1 9.8 74 113 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.941 121.2 12.5 -51.9 -49.4 2.7 28.7 9.3 75 114 A D S S+ 0 0 118 -41,-0.0 -41,-2.4 -3,-0.0 -40,-0.4 0.283 130.1 27.4-111.9 14.4 4.3 27.1 6.2 76 115 A S E -C 33 0A 19 -3,-0.3 -3,-3.5 -43,-0.3 2,-0.4 -0.988 63.6-123.5-164.3 156.6 7.8 28.4 6.3 77 116 A F E -CD 32 72A 0 -45,-2.3 -45,-2.6 -2,-0.3 2,-0.5 -0.916 23.2-147.4-107.4 150.1 10.7 29.7 8.3 78 117 A V E -CD 31 71A 10 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.961 10.4-160.6-118.2 126.4 12.3 33.0 7.6 79 118 A L E -CD 30 70A 1 -49,-2.7 -49,-3.1 -2,-0.5 2,-0.7 -0.908 7.1-153.3-113.7 135.6 16.0 33.5 8.1 80 119 A I E +CD 29 69A 2 -11,-2.6 -12,-2.7 -2,-0.4 -11,-1.3 -0.951 26.3 175.1-111.3 116.5 17.6 36.9 8.5 81 120 A L E -CD 28 67A 18 -53,-3.0 -53,-2.4 -2,-0.7 -14,-0.2 -0.775 35.2 -89.8-118.2 159.7 21.2 36.7 7.4 82 121 A E E -C 27 0A 50 -16,-1.9 -55,-0.2 -2,-0.3 -1,-0.1 -0.301 35.4-163.5 -59.1 146.9 24.0 39.3 6.9 83 122 A R - 0 0 28 -57,-0.8 2,-0.1 -56,-0.1 4,-0.0 -0.862 5.7-152.2-139.1 107.4 24.3 40.9 3.5 84 123 A P - 0 0 18 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.346 26.3-116.8 -65.8 161.1 27.5 42.7 2.6 85 124 A E S S+ 0 0 119 1,-0.4 2,-0.1 -2,-0.1 52,-0.1 -0.882 95.2 26.7-163.3 109.9 27.2 45.5 0.1 86 125 A P S S+ 0 0 47 0, 0.0 52,-1.3 0, 0.0 53,-0.5 0.463 90.8 163.5 -76.2 155.2 28.3 45.5 -2.6 87 126 A V E +G 137 0C 52 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.933 19.1 178.5-133.8 154.9 28.4 41.8 -3.0 88 127 A Q E -G 136 0C 35 48,-2.0 48,-2.4 -2,-0.3 2,-0.1 -0.946 29.7-118.7-152.3 141.6 28.9 39.3 -5.8 89 128 A D E > -G 135 0C 39 -2,-0.3 4,-2.2 46,-0.2 46,-0.2 -0.415 25.7-114.5 -81.4 161.9 29.0 35.5 -5.6 90 129 A L H > S+ 0 0 0 44,-3.0 4,-2.1 41,-0.9 42,-0.2 0.843 112.7 60.4 -66.3 -29.0 32.0 33.6 -6.8 91 130 A F H > S+ 0 0 83 40,-0.8 4,-2.9 43,-0.3 -1,-0.2 0.960 110.1 39.5 -63.0 -51.0 30.1 32.0 -9.6 92 131 A D H > S+ 0 0 71 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.865 113.1 56.2 -61.9 -37.3 29.3 35.3 -11.3 93 132 A F H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.903 111.2 43.9 -63.8 -37.5 32.7 36.6 -10.5 94 133 A I H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 112.2 52.0 -75.0 -44.9 34.2 33.7 -12.4 95 134 A T H < S+ 0 0 94 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.956 117.1 40.8 -50.7 -53.9 31.7 34.0 -15.3 96 135 A E H < S+ 0 0 138 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.947 125.8 31.5 -63.5 -48.2 32.6 37.6 -15.6 97 136 A R H < S- 0 0 116 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.582 93.3-144.7 -94.3 -2.3 36.4 37.4 -15.1 98 137 A G < - 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0 0 17 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.439 34.6-133.4 -80.6 152.2 34.8 22.8 -12.9 202 241 A P S S+ 0 0 15 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.834 83.0 46.2 -80.0 -26.6 37.0 19.9 -14.0 203 242 A F + 0 0 4 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.926 43.1 166.3-125.4 132.9 34.3 17.1 -14.1 204 243 A E + 0 0 103 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.680 68.6 47.5-107.7 -29.5 30.8 17.1 -15.6 205 244 A H S >> S- 0 0 117 1,-0.1 4,-1.7 -38,-0.1 3,-0.9 -0.832 82.4-114.3-125.0 149.3 30.0 13.4 -15.6 206 245 A D H 3> S+ 0 0 50 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.860 113.7 58.9 -47.2 -44.9 30.2 10.6 -13.1 207 246 A E H 3> S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 106.0 46.8 -55.1 -43.3 32.8 8.8 -15.2 208 247 A E H <>>S+ 0 0 79 -3,-0.9 4,-1.5 2,-0.2 5,-0.6 0.863 114.2 49.5 -70.1 -35.0 35.3 11.8 -15.1 209 248 A I H <5S+ 0 0 1 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.956 113.2 45.1 -60.4 -55.9 34.7 12.0 -11.2 210 249 A I H <5S+ 0 0 61 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.922 116.4 47.1 -55.2 -45.6 35.3 8.2 -10.8 211 250 A R H <5S- 0 0 168 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.806 87.8-164.8 -66.8 -29.2 38.4 8.5 -13.0 212 251 A G T <5 + 0 0 18 -4,-1.5 2,-0.5 1,-0.2 -3,-0.1 0.824 30.1 149.7 38.2 42.8 39.6 11.6 -11.2 213 252 A Q < - 0 0 114 -5,-0.6 2,-0.7 -11,-0.0 -1,-0.2 -0.881 36.7-146.3 -96.6 130.3 42.1 12.5 -13.9 214 253 A V - 0 0 8 -2,-0.5 2,-0.4 -3,-0.1 15,-0.1 -0.890 14.1-171.4-107.6 117.5 42.6 16.2 -14.1 215 254 A F - 0 0 152 -2,-0.7 2,-0.6 -13,-0.2 -2,-0.0 -0.881 18.9-138.1 -97.2 132.2 43.2 17.9 -17.4 216 255 A F - 0 0 23 -2,-0.4 4,-0.1 1,-0.1 -2,-0.0 -0.831 19.8-178.3 -93.3 116.8 44.2 21.6 -17.3 217 256 A R S S+ 0 0 121 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.699 72.5 48.9 -81.8 -23.7 42.6 23.9 -19.9 218 257 A Q S S- 0 0 92 0, 0.0 2,-0.6 0, 0.0 -20,-0.0 -0.798 99.7 -89.8-111.6 159.0 44.5 26.9 -18.6 219 258 A R + 0 0 206 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.580 55.3 167.4 -62.9 111.3 48.1 27.7 -17.7 220 259 A V - 0 0 4 -2,-0.6 -4,-0.1 -4,-0.1 -22,-0.0 -0.989 34.9-110.6-133.1 137.0 48.4 26.8 -14.0 221 260 A S > - 0 0 24 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.082 28.4-111.4 -64.1 166.7 51.6 26.5 -12.1 222 261 A S H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.883 114.0 51.6 -66.5 -42.8 52.9 23.2 -10.8 223 262 A E H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 27,-0.2 0.952 111.7 47.9 -65.8 -43.1 52.4 23.7 -7.2 224 263 A C H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 112.9 47.8 -61.0 -45.8 48.8 24.7 -7.8 225 264 A Q H X S+ 0 0 47 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.824 111.3 51.9 -61.9 -32.7 48.2 21.7 -10.0 226 265 A H H X S+ 0 0 107 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.913 109.7 48.8 -73.0 -39.6 49.8 19.5 -7.4 227 266 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.923 111.8 49.5 -63.9 -41.1 47.6 20.9 -4.6 228 267 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.947 112.0 46.9 -64.7 -48.7 44.5 20.4 -6.7 229 268 A R H < S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.876 110.3 55.4 -64.6 -34.3 45.5 16.7 -7.6 230 269 A W H >< S+ 0 0 73 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.969 108.6 45.4 -58.4 -51.6 46.2 16.2 -3.9 231 270 A C H 3< S+ 0 0 0 -4,-2.5 -41,-0.2 1,-0.3 -2,-0.2 0.806 114.3 51.4 -59.6 -32.1 42.6 17.4 -2.9 232 271 A L T 3< S+ 0 0 4 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.021 74.7 145.1 -97.7 26.0 41.2 15.1 -5.7 233 272 A A < - 0 0 20 -3,-1.7 6,-0.1 1,-0.1 -21,-0.1 -0.464 53.0-134.1 -54.8 130.2 43.1 12.0 -4.6 234 273 A L S S+ 0 0 84 -22,-0.1 -62,-0.2 -23,-0.1 -1,-0.1 0.904 91.7 72.5 -53.2 -45.2 40.7 9.1 -5.4 235 274 A R S > S- 0 0 144 1,-0.2 3,-1.8 -64,-0.1 4,-0.5 -0.598 81.0-143.5 -76.4 118.2 41.4 7.5 -2.0 236 275 A P G > S+ 0 0 44 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.900 99.8 52.8 -51.0 -38.3 39.7 9.6 0.7 237 276 A S G 3 S+ 0 0 90 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.665 98.9 64.2 -74.8 -11.8 42.6 9.1 3.2 238 277 A D G < S+ 0 0 84 -3,-1.8 -1,-0.3 -5,-0.1 -4,-0.1 0.527 83.7 99.2 -80.8 -6.6 45.2 10.2 0.6 239 278 A R S < S- 0 0 14 -3,-1.5 -8,-0.2 -4,-0.5 2,-0.1 -0.466 82.1-105.8 -74.8 150.2 43.6 13.8 0.6 240 279 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.420 26.0-120.4 -77.0 156.0 45.3 16.4 2.8 241 280 A T > - 0 0 73 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.411 38.4 -98.4 -73.9 164.5 43.9 17.7 6.1 242 281 A F H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.856 127.2 53.0 -52.7 -38.8 43.1 21.4 6.3 243 282 A E H > S+ 0 0 135 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.923 107.9 49.1 -66.7 -43.5 46.4 22.0 8.0 244 283 A E H >4 S+ 0 0 83 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.908 111.5 50.0 -63.0 -36.4 48.3 20.2 5.2 245 284 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.894 110.5 49.5 -66.3 -39.6 46.5 22.3 2.6 246 285 A Q H 3< S+ 0 0 9 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.571 112.6 47.8 -81.1 -7.5 47.3 25.5 4.4 247 286 A N T << S+ 0 0 104 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.206 83.2 119.8-108.0 0.5 51.0 24.6 4.7 248 287 A H S X S- 0 0 9 -3,-1.0 3,-2.2 -4,-0.2 4,-0.2 -0.494 76.3-118.3 -61.3 141.4 51.2 23.6 1.0 249 288 A P G > S+ 0 0 75 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.883 113.6 62.8 -52.0 -37.7 53.8 25.7 -0.8 250 289 A W G 3 S+ 0 0 2 1,-0.3 -26,-0.1 -27,-0.2 -4,-0.1 0.776 100.5 56.1 -63.2 -19.7 51.2 27.1 -3.1 251 290 A M G < S+ 0 0 2 -3,-2.2 3,-0.4 -6,-0.2 -1,-0.3 0.366 80.1 114.0 -90.8 4.6 49.5 28.6 -0.1 252 291 A Q S < S+ 0 0 90 -3,-2.1 -5,-0.1 -4,-0.2 -146,-0.0 -0.418 73.4 19.8 -76.0 148.0 52.4 30.7 1.3 253 292 A D S S- 0 0 147 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.908 77.7-174.6 68.5 43.8 52.3 34.5 1.3 254 293 A V - 0 0 40 -3,-0.4 2,-0.2 -148,-0.1 -1,-0.2 -0.444 25.3-116.1 -69.0 144.5 48.5 34.9 1.0 255 294 A L - 0 0 26 -152,-0.4 -1,-0.1 -2,-0.1 3,-0.0 -0.551 29.6-108.7 -72.9 146.7 47.3 38.5 0.6 256 295 A L > - 0 0 109 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.314 33.6-109.3 -57.3 157.6 45.1 40.0 3.4 257 296 A P H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.963 120.4 51.6 -61.6 -46.4 41.5 40.5 2.4 258 297 A Q H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.910 110.4 46.6 -56.1 -47.1 41.9 44.2 2.3 259 298 A E H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.877 108.9 58.7 -61.4 -34.5 45.0 44.0 -0.0 260 299 A T H X>S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.5 0.879 107.3 44.8 -65.2 -39.3 43.1 41.5 -2.2 261 300 A A H X>S+ 0 0 2 -4,-1.9 4,-1.6 -3,-0.3 5,-1.1 0.907 111.8 52.4 -71.2 -40.0 40.3 44.0 -2.8 262 301 A E H <5S+ 0 0 139 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.919 120.6 32.0 -67.6 -39.6 42.8 46.9 -3.5 263 302 A I H <5S+ 0 0 102 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.884 134.9 20.5 -76.6 -45.4 44.7 44.9 -6.1 264 303 A H H <5S+ 0 0 17 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.592 126.5 40.5-110.8 -13.6 42.1 42.6 -7.7 265 304 A L T << 0 0 24 -4,-1.6 -3,-0.2 -5,-0.5 -4,-0.1 0.616 360.0 360.0-118.0 -10.1 38.8 44.2 -7.0 266 305 A H < 0 0 215 -5,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 -0.528 360.0 360.0 74.3 360.0 39.2 48.0 -7.5