==== 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 3VBV . 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) . 13031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 64.2 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 . 21 7.8 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 . 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 0 3 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 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 0 136 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.7 6.9 42.0 9.2 2 36 A S + 0 0 107 1,-0.1 22,-0.1 3,-0.1 3,-0.0 0.597 360.0 70.6-100.5 -13.8 7.6 45.5 10.5 3 37 A Q S S+ 0 0 83 21,-0.1 21,-2.5 1,-0.1 22,-0.5 0.719 101.1 44.8 -73.1 -21.9 11.2 44.9 11.6 4 38 A Y E -A 23 0A 16 19,-0.2 2,-0.5 20,-0.1 19,-0.2 -0.965 66.8-142.8-128.1 143.1 12.5 44.6 8.0 5 39 A Q E -A 22 0A 117 17,-2.7 17,-1.9 -2,-0.4 2,-0.3 -0.903 29.7-138.2 -95.2 126.9 12.1 46.4 4.8 6 40 A V E +A 21 0A 88 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.690 25.1 178.9 -88.9 134.1 12.1 43.9 1.9 7 41 A G E - 0 0 32 13,-4.0 3,-0.1 -2,-0.3 -1,-0.0 -0.297 41.9 -28.6-111.2-153.8 14.0 44.7 -1.4 8 42 A P E - 0 0 91 0, 0.0 12,-2.7 0, 0.0 2,-0.3 -0.162 66.7-100.4 -59.8 148.5 14.6 42.8 -4.7 9 43 A L E -A 19 0A 92 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.572 33.7-168.3 -61.1 124.7 14.6 39.1 -5.0 10 44 A L E - 0 0 101 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.785 57.3 -43.6 -89.3 -33.5 18.3 38.1 -5.1 11 45 A G E -A 18 0A 23 7,-1.6 7,-3.1 2,-0.0 -1,-0.4 -0.967 46.8-151.3 178.5 169.0 17.8 34.5 -6.1 12 46 A S E +A 17 0A 77 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.977 35.7 103.3-153.8 154.2 15.9 31.3 -5.7 13 47 A G E > S-A 16 0A 43 3,-2.3 3,-2.9 -2,-0.3 -2,-0.0 -0.961 86.7 -16.7 168.1-150.5 16.5 27.6 -6.1 14 48 A G T 3 S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.3 25,-0.0 0.756 131.3 58.6 -49.0 -30.6 17.2 24.6 -4.0 15 49 A F T 3 S- 0 0 66 1,-0.3 2,-0.4 20,-0.1 -1,-0.3 0.560 113.4-117.8 -77.1 -11.7 18.0 27.0 -1.1 16 50 A G E < -A 13 0A 19 -3,-2.9 -3,-2.3 19,-0.1 2,-0.4 -0.910 53.5 -37.9 112.4-138.5 14.5 28.7 -1.2 17 51 A S E -AB 12 34A 38 17,-1.6 17,-3.1 -2,-0.4 2,-0.5 -0.998 53.0-162.6-129.4 134.0 14.1 32.5 -2.1 18 52 A V E -AB 11 33A 23 -7,-3.1 -8,-3.2 -2,-0.4 -7,-1.6 -0.974 7.1-170.9-122.0 124.7 16.4 35.1 -0.9 19 53 A Y E -AB 9 32A 76 13,-2.7 13,-3.4 -2,-0.5 -10,-0.2 -0.915 27.0-115.7-112.6 152.7 15.6 38.7 -0.8 20 54 A S E + B 0 31A 16 -12,-2.7 -13,-4.0 -2,-0.4 2,-0.3 -0.496 47.7 169.1 -75.2 138.7 17.6 41.8 -0.2 21 55 A G E -AB 6 30A 1 9,-2.6 9,-2.3 -15,-0.3 2,-0.4 -0.916 30.4-136.1-146.0 177.8 16.4 43.5 2.9 22 56 A I E -AB 5 29A 48 -17,-1.9 -17,-2.7 -2,-0.3 2,-0.5 -0.993 23.0-124.6-141.1 128.7 17.2 46.2 5.4 23 57 A R E >> -AB 4 28A 53 5,-3.0 4,-1.2 -2,-0.4 5,-0.5 -0.641 20.8-151.0 -76.3 123.1 16.9 46.0 9.1 24 58 A V T 45S+ 0 0 77 -21,-2.5 3,-0.3 -2,-0.5 -1,-0.2 0.891 85.7 63.6 -69.3 -39.7 14.6 48.9 10.0 25 59 A S T 45S- 0 0 99 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.900 130.9 -0.7 -50.5 -48.2 16.0 49.5 13.6 26 60 A D T 45S- 0 0 80 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.099 96.7-109.7-132.9 23.1 19.6 50.4 12.4 27 61 A N T <5 + 0 0 119 -4,-1.2 -3,-0.2 -3,-0.3 -2,-0.1 0.720 55.3 168.9 46.5 29.8 19.5 50.1 8.6 28 62 A L E < -B 23 0A 62 -5,-0.5 -5,-3.0 -6,-0.1 -1,-0.2 -0.478 40.0-116.4 -65.7 130.1 21.7 47.0 8.6 29 63 A P E +B 22 0A 34 0, 0.0 57,-1.1 0, 0.0 2,-0.3 -0.528 45.0 178.0 -62.8 134.5 21.8 45.4 5.2 30 64 A V E -BC 21 85A 0 -9,-2.3 -9,-2.6 55,-0.2 2,-0.4 -0.916 30.4-136.0-132.5 161.5 20.2 41.9 5.5 31 65 A A E -BC 20 84A 13 53,-2.5 53,-3.4 -2,-0.3 2,-0.6 -0.970 19.7-152.1-112.8 134.0 19.3 38.9 3.3 32 66 A I E -BC 19 83A 8 -13,-3.4 -13,-2.7 -2,-0.4 2,-0.5 -0.944 13.2-167.8-113.3 110.2 15.9 37.5 4.0 33 67 A K E -BC 18 82A 10 49,-2.7 49,-2.9 -2,-0.6 2,-0.5 -0.883 6.2-159.9-110.4 123.9 15.8 33.8 3.1 34 68 A H E -BC 17 81A 41 -17,-3.1 -17,-1.6 -2,-0.5 2,-0.5 -0.887 7.0-172.3-104.9 124.7 12.5 31.8 2.9 35 69 A V E - C 0 80A 14 45,-3.0 45,-2.3 -2,-0.5 2,-0.2 -0.973 22.0-129.4-117.5 122.4 12.7 28.1 3.2 36 70 A E E > - C 0 79A 98 -2,-0.5 3,-1.8 43,-0.2 43,-0.3 -0.494 14.8-132.7 -71.5 134.4 9.5 26.1 2.6 37 71 A K G > S+ 0 0 43 41,-3.2 3,-1.1 1,-0.3 42,-0.1 0.851 103.7 53.1 -57.9 -34.3 8.7 23.6 5.4 38 72 A D G 3 S+ 0 0 120 40,-0.4 -1,-0.3 1,-0.2 41,-0.1 0.532 101.6 58.8 -85.0 -0.5 8.0 20.7 3.0 39 73 A R G < S+ 0 0 181 -3,-1.8 2,-0.8 3,-0.0 -1,-0.2 0.271 82.6 99.3-102.6 5.6 11.4 21.1 1.1 40 74 A I < + 0 0 23 -3,-1.1 3,-0.1 -4,-0.2 -1,-0.0 -0.862 43.2 173.9 -96.2 106.7 13.3 20.6 4.4 41 75 A S + 0 0 94 -2,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.694 68.2 57.7 -72.2 -21.1 14.4 16.9 4.5 42 76 A D + 0 0 60 110,-0.1 10,-2.9 -3,-0.1 11,-0.4 -0.926 60.1 176.3-136.2 108.7 16.3 17.7 7.7 43 77 A W E +E 51 0B 64 -2,-0.4 2,-0.2 8,-0.3 6,-0.1 -0.776 2.4 170.7-113.5 148.9 15.3 19.0 11.1 44 78 A G E -E 50 0B 13 6,-3.0 6,-1.8 -2,-0.3 2,-0.3 -0.497 18.3-139.0-125.7-154.1 17.1 19.6 14.3 45 79 A E E E 49 0B 133 4,-0.2 4,-0.2 -2,-0.2 0, 0.0 -0.975 360.0 360.0-167.8 171.0 16.2 21.4 17.5 46 80 A L 0 0 118 2,-0.7 9,-0.0 -2,-0.3 3,-0.0 -0.788 360.0 360.0-107.8 360.0 17.4 23.7 20.3 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 0 134 0, 0.0 -2,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 132.5 10.8 22.8 19.1 49 85 A R E +E 45 0B 154 -4,-0.2 -4,-0.2 -6,-0.1 -6,-0.0 -0.547 360.0 167.3 -85.2 127.6 11.8 21.6 15.6 50 86 A V E -E 44 0B 1 -6,-1.8 -6,-3.0 -2,-0.3 2,-0.0 -0.882 45.5 -82.5-129.1 162.1 13.8 23.9 13.2 51 87 A P E >> -E 43 0B 4 0, 0.0 4,-1.6 0, 0.0 3,-1.4 -0.410 38.5-120.2 -62.1 142.6 15.6 23.2 10.0 52 88 A M H 3> S+ 0 0 25 -10,-2.9 4,-3.1 1,-0.3 5,-0.3 0.911 112.8 69.7 -42.4 -37.9 19.1 21.8 10.5 53 89 A E H 3> S+ 0 0 15 -11,-0.4 4,-2.5 1,-0.3 -1,-0.3 0.874 99.4 45.0 -54.1 -41.7 20.2 24.9 8.6 54 90 A V H <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.2 -1,-0.3 0.912 112.0 52.4 -69.7 -43.1 19.3 27.1 11.6 55 91 A V H X S+ 0 0 20 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.973 113.8 43.8 -53.1 -48.9 20.9 24.6 14.1 56 92 A L H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.909 112.6 51.3 -68.7 -42.8 24.2 24.7 12.0 57 93 A L H X S+ 0 0 3 -4,-2.5 4,-1.6 -5,-0.3 13,-0.4 0.861 108.8 51.0 -62.2 -39.5 24.1 28.5 11.6 58 94 A K H < S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.4 53.4 -67.5 -32.8 23.7 29.1 15.3 59 95 A K H < S+ 0 0 92 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.831 121.8 28.9 -71.6 -29.4 26.6 26.8 15.9 60 96 A V H < S+ 0 0 0 -4,-1.6 2,-1.6 1,-0.1 -1,-0.2 0.502 90.7 100.9-103.0 -4.9 28.9 28.8 13.6 61 97 A S < + 0 0 22 -4,-1.6 2,-0.1 -5,-0.2 8,-0.1 -0.618 54.7 118.5 -90.4 89.8 27.4 32.3 13.8 62 98 A S S S- 0 0 78 -2,-1.6 2,-2.7 2,-0.4 -1,-0.1 -0.570 85.0 -66.5-167.7 75.6 30.0 33.6 16.2 63 99 A G S S+ 0 0 53 -2,-0.1 2,-0.5 1,-0.1 -2,-0.1 -0.305 98.2 101.8 77.7 -60.1 32.4 36.5 15.6 64 100 A F > - 0 0 74 -2,-2.7 3,-0.7 1,-0.2 -2,-0.4 -0.488 61.1-155.0 -71.0 121.5 34.5 35.0 12.9 65 101 A S T 3 S+ 0 0 48 -2,-0.5 -1,-0.2 1,-0.2 4,-0.1 0.197 70.4 92.7 -88.7 9.8 33.3 36.5 9.8 66 102 A G T 3 S+ 0 0 6 81,-0.1 82,-2.1 51,-0.1 2,-0.4 0.478 86.8 60.7 -76.6 -2.7 34.2 33.9 7.1 67 103 A V B < S-f 148 0C 0 -3,-0.7 82,-0.2 80,-0.3 -5,-0.1 -0.978 97.9-109.3-121.1 133.6 30.7 32.5 7.6 68 104 A I - 0 0 5 80,-2.4 2,-0.4 -2,-0.4 -8,-0.1 -0.357 41.4-125.1 -54.0 141.0 27.5 34.5 6.9 69 105 A R - 0 0 76 -4,-0.1 16,-2.4 -8,-0.1 2,-0.6 -0.820 4.8-134.0-100.0 140.1 25.9 35.2 10.3 70 106 A L E +D 84 0A 22 -2,-0.4 14,-0.2 -13,-0.4 3,-0.1 -0.808 24.5 178.5 -86.4 116.1 22.3 34.3 11.2 71 107 A L E - 0 0 54 12,-2.9 2,-0.3 -2,-0.6 13,-0.2 0.719 61.4 -25.0 -90.6 -30.4 20.9 37.4 12.9 72 108 A D E -D 83 0A 56 11,-1.4 11,-3.2 2,-0.0 -1,-0.4 -0.965 54.0-153.4-171.4 165.9 17.4 36.1 13.6 73 109 A W E -D 82 0A 58 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.965 4.3-162.7-151.4 158.3 14.8 33.6 12.4 74 110 A F E -D 81 0A 51 7,-2.4 7,-2.4 -2,-0.3 2,-0.4 -0.978 15.6-133.0-136.6 152.2 11.0 33.4 12.4 75 111 A E E -D 80 0A 109 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.881 22.1-173.5-104.2 139.8 8.7 30.5 11.9 76 112 A R - 0 0 119 3,-3.8 3,-0.3 -2,-0.4 -39,-0.0 -0.805 44.1 -94.8-119.7 171.7 5.6 30.8 9.6 77 113 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.914 122.2 12.5 -49.7 -44.8 2.8 28.4 9.0 78 114 A D S S+ 0 0 120 -41,-0.0 -41,-3.2 -3,-0.0 -40,-0.4 0.302 128.9 26.1-116.9 6.8 4.5 26.9 5.9 79 115 A S E -C 36 0A 18 -3,-0.3 -3,-3.8 -43,-0.3 2,-0.4 -0.974 63.2-120.0-154.9 166.9 8.0 28.2 6.1 80 116 A F E -CD 35 75A 0 -45,-2.3 -45,-3.0 -2,-0.3 2,-0.5 -0.950 21.5-149.8-112.1 147.7 10.9 29.5 8.1 81 117 A V E -CD 34 74A 10 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.5 -0.961 10.3-163.5-116.3 122.2 12.3 32.9 7.5 82 118 A L E -CD 33 73A 1 -49,-2.9 -49,-2.7 -2,-0.5 2,-0.6 -0.899 9.2-149.7-108.2 134.4 16.0 33.4 8.2 83 119 A I E +CD 32 72A 2 -11,-3.2 -12,-2.9 -2,-0.5 -11,-1.4 -0.888 28.0 179.2-104.5 115.8 17.6 36.9 8.6 84 120 A L E -CD 31 70A 15 -53,-3.4 -53,-2.5 -2,-0.6 -14,-0.2 -0.842 33.0 -93.9-117.6 156.7 21.1 36.7 7.5 85 121 A E E -C 30 0A 39 -16,-2.4 -55,-0.2 -2,-0.3 -1,-0.1 -0.304 35.5-160.6 -52.7 147.4 24.0 39.2 7.1 86 122 A R - 0 0 28 -57,-1.1 -1,-0.0 -56,-0.1 2,-0.0 -0.875 4.9-151.7-138.9 105.7 24.3 40.8 3.8 87 123 A P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.350 26.6-123.0 -62.1 155.5 27.7 42.4 2.7 88 124 A E S S+ 0 0 114 1,-0.3 2,-0.1 -59,-0.1 52,-0.1 -0.896 91.6 27.3-156.0 122.4 27.2 45.3 0.3 89 125 A P S S+ 0 0 58 0, 0.0 52,-1.5 0, 0.0 53,-0.6 0.512 91.9 158.3 -71.0 151.7 28.5 45.5 -2.5 90 126 A V E -G 140 0C 52 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.941 23.5-177.3-143.7 152.2 28.7 41.7 -2.8 91 127 A Q E -G 139 0C 36 48,-1.3 48,-2.6 -2,-0.3 2,-0.1 -0.939 29.9-120.1-149.7 138.9 29.0 39.2 -5.8 92 128 A D E > -G 138 0C 37 -2,-0.3 4,-2.3 46,-0.2 46,-0.2 -0.441 27.9-113.7 -80.3 160.4 29.0 35.4 -5.4 93 129 A L H > S+ 0 0 0 44,-2.4 4,-2.6 41,-1.1 5,-0.3 0.821 113.3 60.0 -69.9 -26.5 32.0 33.6 -6.7 94 130 A F H > S+ 0 0 88 40,-0.9 4,-2.8 43,-0.3 -1,-0.2 0.968 110.0 41.5 -63.9 -45.0 30.1 31.9 -9.5 95 131 A D H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 113.6 54.1 -68.4 -40.7 29.1 35.2 -11.0 96 132 A F H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.914 111.9 42.8 -59.4 -43.6 32.5 36.6 -10.4 97 133 A I H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.907 110.6 56.8 -72.8 -44.7 34.2 33.7 -12.3 98 134 A T H < S+ 0 0 96 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.954 116.6 36.6 -46.7 -47.6 31.5 33.9 -15.1 99 135 A E H < S+ 0 0 137 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.911 126.5 33.8 -74.0 -42.1 32.5 37.6 -15.7 100 136 A R H < S- 0 0 123 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.627 94.4-145.6 -96.8 -9.1 36.2 37.5 -15.1 101 137 A G < + 0 0 30 -4,-2.4 101,-0.2 -5,-0.2 -1,-0.2 -0.361 62.5 2.7 75.3-162.8 37.1 34.1 -16.4 102 138 A A S S- 0 0 37 99,-0.4 2,-0.3 1,-0.1 98,-0.2 -0.281 85.4-119.9 -53.5 136.3 39.9 32.0 -14.9 103 139 A L - 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0 0 15 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.439 32.9-131.1 -84.4 154.5 34.7 22.9 -13.0 205 241 A P S S+ 0 0 18 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.838 84.2 41.6 -76.6 -31.3 36.9 19.9 -14.1 206 242 A F + 0 0 5 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.939 42.8 167.8-126.2 136.2 34.3 17.2 -14.3 207 243 A E + 0 0 104 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.579 67.8 57.5-109.8 -23.7 30.7 17.2 -15.6 208 244 A H S >> S- 0 0 113 1,-0.1 4,-2.0 -38,-0.1 3,-0.7 -0.846 79.9-120.6-122.1 146.7 30.0 13.5 -15.7 209 245 A D H 3> S+ 0 0 52 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.869 113.4 54.6 -42.7 -48.9 30.0 10.7 -13.1 210 246 A E H 3> S+ 0 0 130 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.795 107.4 49.6 -60.6 -38.7 32.7 8.7 -15.1 211 247 A E H <> S+ 0 0 77 -3,-0.7 4,-1.9 2,-0.2 5,-0.5 0.891 110.7 50.1 -70.5 -39.3 35.0 11.7 -15.1 212 248 A I H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.932 114.1 44.4 -59.2 -46.0 34.6 12.1 -11.3 213 249 A I H < S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.793 112.3 51.5 -72.3 -36.6 35.3 8.4 -10.7 214 250 A R H < S- 0 0 174 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.838 87.4-163.3 -71.5 -29.3 38.3 8.4 -13.2 215 251 A G < + 0 0 17 -4,-1.9 2,-0.5 1,-0.2 -3,-0.1 0.707 31.0 150.0 54.8 23.1 39.7 11.5 -11.3 216 252 A Q - 0 0 111 -5,-0.5 2,-0.6 2,-0.0 -1,-0.2 -0.715 35.4-149.9 -87.5 125.5 42.1 12.4 -14.1 217 253 A V - 0 0 4 -2,-0.5 2,-0.4 -3,-0.1 -11,-0.0 -0.897 13.2-171.3-105.8 122.0 42.5 16.1 -14.1 218 254 A F - 0 0 153 -2,-0.6 2,-0.5 -13,-0.2 -2,-0.0 -0.912 15.5-140.9-106.5 132.6 43.3 18.0 -17.4 219 255 A F + 0 0 22 -2,-0.4 4,-0.1 1,-0.1 -18,-0.0 -0.837 19.4 178.5 -94.2 125.0 44.3 21.8 -17.4 220 256 A R S S+ 0 0 114 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.582 71.0 52.1 -99.8 -18.3 42.8 23.9 -20.1 221 257 A Q S S- 0 0 96 0, 0.0 2,-0.5 0, 0.0 -20,-0.0 -0.804 102.3 -89.9-113.3 161.9 44.5 27.1 -18.8 222 258 A R + 0 0 215 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.583 56.4 171.1 -69.9 115.8 48.0 27.8 -17.9 223 259 A V - 0 0 4 -2,-0.5 -4,-0.1 -4,-0.1 -22,-0.0 -1.000 35.3-105.7-133.7 131.8 48.3 26.8 -14.2 224 260 A S > - 0 0 26 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.095 28.0-117.1 -47.0 147.6 51.5 26.6 -12.1 225 261 A S H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.850 114.6 54.3 -57.3 -35.0 52.8 23.2 -11.2 226 262 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.906 109.8 45.3 -71.4 -41.0 52.3 23.9 -7.5 227 263 A C H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.924 113.1 50.2 -64.2 -44.8 48.7 24.8 -7.9 228 264 A Q H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.856 110.9 50.8 -60.2 -40.7 48.1 21.8 -10.2 229 265 A H H X S+ 0 0 107 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.928 110.5 48.1 -63.9 -46.4 49.8 19.6 -7.5 230 266 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.951 114.3 47.2 -59.6 -43.4 47.6 21.0 -4.7 231 267 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.935 111.9 48.8 -63.4 -45.7 44.5 20.5 -6.8 232 268 A R H < S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 110.8 52.1 -69.5 -29.9 45.5 17.0 -7.8 233 269 A W H >< S+ 0 0 74 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.940 108.7 48.6 -66.6 -49.7 46.2 16.2 -4.1 234 270 A C H 3< S+ 0 0 0 -4,-2.6 -41,-0.3 1,-0.3 -1,-0.2 0.824 112.3 52.6 -52.4 -37.9 42.7 17.5 -3.0 235 271 A L T 3< S+ 0 0 5 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.052 75.9 145.4 -93.0 25.7 41.3 15.3 -5.8 236 272 A A < - 0 0 18 -3,-1.7 6,-0.1 1,-0.1 -21,-0.1 -0.405 51.6-134.9 -57.6 137.1 43.0 12.0 -4.8 237 273 A L S S+ 0 0 78 -23,-0.1 -62,-0.2 -22,-0.1 -1,-0.1 0.924 92.1 68.7 -62.1 -48.2 40.7 9.1 -5.6 238 274 A R S > S- 0 0 148 1,-0.2 3,-1.4 -64,-0.1 4,-0.3 -0.625 82.9-140.9 -75.1 122.6 41.4 7.5 -2.2 239 275 A P G > S+ 0 0 48 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.864 100.2 54.3 -47.8 -41.4 39.8 9.7 0.6 240 276 A S G 3 S+ 0 0 96 1,-0.3 -2,-0.0 -3,-0.0 -3,-0.0 0.641 98.0 63.4 -75.5 -17.5 42.8 9.1 3.0 241 277 A D G < S+ 0 0 69 -3,-1.4 -1,-0.3 2,-0.1 -5,-0.1 0.467 85.0 99.3 -73.9 -8.8 45.3 10.2 0.3 242 278 A R S < S- 0 0 13 -3,-1.5 -8,-0.2 -4,-0.3 -9,-0.1 -0.511 82.3-105.0 -77.4 149.0 43.7 13.8 0.4 243 279 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.351 26.2-122.5 -70.6 155.8 45.4 16.5 2.5 244 280 A T > - 0 0 74 1,-0.1 4,-2.5 -55,-0.0 5,-0.2 -0.415 38.3 -98.7 -79.4 173.7 44.0 17.7 5.9 245 281 A F H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 127.3 54.7 -63.7 -36.9 43.2 21.4 6.1 246 282 A E H > S+ 0 0 139 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.896 108.3 46.9 -64.1 -41.0 46.6 21.8 7.8 247 283 A E H > S+ 0 0 83 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.859 111.0 52.7 -69.3 -37.2 48.4 20.2 4.9 248 284 A I H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 6,-0.3 0.977 111.8 45.2 -55.9 -53.5 46.5 22.3 2.4 249 285 A Q H 3< S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.642 112.9 50.4 -68.3 -15.3 47.4 25.5 4.2 250 286 A N H 3< S+ 0 0 103 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.428 83.8 118.3 -98.1 -4.8 51.1 24.4 4.6 251 287 A H S X< S- 0 0 11 -3,-1.5 3,-1.7 -4,-0.5 4,-0.3 -0.314 76.9-119.7 -59.0 143.3 51.3 23.6 0.9 252 288 A P G > S+ 0 0 74 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.836 112.8 60.6 -59.4 -27.9 53.9 25.7 -1.0 253 289 A W G 3 S+ 0 0 3 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.814 100.9 56.3 -65.8 -24.4 51.1 27.1 -3.3 254 290 A M G < S+ 0 0 2 -3,-1.7 3,-0.5 -6,-0.3 -1,-0.3 0.436 82.4 113.5 -87.9 2.0 49.4 28.5 -0.2 255 291 A Q S < S+ 0 0 85 -3,-1.3 -5,-0.1 -4,-0.3 -146,-0.0 -0.340 72.8 18.4 -78.8 153.4 52.3 30.6 1.1 256 292 A D S S- 0 0 150 1,-0.1 -1,-0.2 -2,-0.0 -147,-0.1 0.867 79.1-172.8 63.1 39.5 52.3 34.5 1.2 257 293 A V - 0 0 39 -3,-0.5 2,-0.2 -148,-0.1 -1,-0.1 -0.346 25.6-114.7 -60.2 144.2 48.5 34.9 0.9 258 294 A L - 0 0 27 -152,-0.4 -1,-0.1 1,-0.1 3,-0.0 -0.553 31.4-107.3 -72.1 150.4 47.4 38.4 0.5 259 295 A L > - 0 0 113 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.390 33.8-109.4 -65.1 154.3 45.3 39.9 3.3 260 296 A P H > S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.941 120.1 52.0 -57.7 -42.8 41.6 40.3 2.3 261 297 A Q H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.901 110.0 46.3 -59.3 -45.9 42.0 44.1 2.2 262 298 A E H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 109.4 59.1 -60.7 -37.1 45.1 44.0 -0.1 263 299 A T H X>S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.6 0.897 107.0 43.6 -58.2 -44.8 43.1 41.5 -2.2 264 300 A A H X>S+ 0 0 0 -4,-2.0 4,-2.0 -121,-0.3 5,-1.2 0.931 113.1 52.3 -72.4 -38.3 40.3 43.9 -2.8 265 301 A E H <5S+ 0 0 131 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.941 119.1 35.0 -62.6 -44.5 42.7 46.9 -3.5 266 302 A I H <5S+ 0 0 103 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.881 136.5 14.6 -75.1 -41.3 44.7 44.9 -6.1 267 303 A H H <5S+ 0 0 16 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.584 129.6 39.7-120.0 -19.0 42.0 42.8 -7.8 268 304 A L T << 0 0 11 -4,-2.0 -3,-0.2 -5,-0.6 -4,-0.1 0.499 360.0 360.0-109.3 -5.4 38.6 44.1 -6.9 269 305 A H < 0 0 205 -5,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 -0.458 360.0 360.0 49.6 360.0 39.4 47.9 -7.1