==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 15-NOV-11 3UMX . COMPND 2 MOLECULE: PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.J.PARKER,N.HANDA,S.YOKOYAMA . 261 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.1 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 . 49 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 28.4 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 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 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 . 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 37 A Q 0 0 149 0, 0.0 21,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -26.3 11.0 45.4 12.4 2 38 A Y E -A 21 0A 44 19,-0.2 2,-0.8 20,-0.1 19,-0.2 -0.949 360.0-132.3-126.4 150.2 12.6 45.0 8.9 3 39 A Q E -A 20 0A 135 17,-2.2 17,-0.7 -2,-0.3 2,-0.1 -0.854 27.1-136.7-103.0 104.6 12.1 46.7 5.6 4 40 A V E -A 19 0A 91 -2,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.380 26.4-177.3 -64.0 123.4 11.9 44.0 2.9 5 41 A G E - 0 0 32 13,-3.2 2,-0.1 1,-0.3 3,-0.1 -0.032 41.8 -41.1 -96.5-152.9 13.9 45.0 -0.2 6 42 A P E - 0 0 92 0, 0.0 12,-2.7 0, 0.0 -1,-0.3 -0.342 66.4 -89.8 -80.6 158.4 14.1 43.0 -3.4 7 43 A L E -A 17 0A 93 10,-0.2 10,-0.3 1,-0.1 3,-0.1 -0.415 33.8-170.8 -65.1 131.5 14.5 39.3 -3.9 8 44 A L E - 0 0 101 8,-3.6 2,-0.3 1,-0.4 9,-0.2 0.723 60.7 -40.1 -98.4 -27.3 18.2 38.3 -3.9 9 45 A G E -A 16 0A 33 7,-1.1 7,-2.6 2,-0.0 -1,-0.4 -0.933 52.5-150.7 175.8 170.8 17.7 34.7 -5.0 10 46 A S E +A 15 0A 84 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.997 13.5 164.0-159.2 152.0 15.7 31.5 -4.6 11 47 A G - 0 0 36 3,-3.3 -2,-0.0 -2,-0.3 0, 0.0 -0.684 60.4 -73.5-141.4-165.3 15.6 27.7 -4.7 12 48 A G S S+ 0 0 76 -2,-0.2 3,-0.1 1,-0.2 21,-0.0 0.289 130.3 55.7 -82.7 4.0 13.4 24.7 -3.6 13 49 A F S S- 0 0 81 1,-0.3 20,-2.2 19,-0.1 2,-0.3 0.785 122.3 -82.6 -88.6 -54.1 14.5 25.4 0.0 14 50 A G E - B 0 32A 6 18,-0.2 -3,-3.3 22,-0.0 2,-0.3 -0.923 41.8 -72.7-178.8-141.5 13.4 29.1 -0.1 15 51 A S E -AB 10 31A 33 16,-1.5 16,-2.9 -5,-0.3 2,-0.4 -0.966 26.5-148.4-150.1 141.0 14.0 32.7 -1.1 16 52 A V E -AB 9 30A 31 -7,-2.6 -8,-3.6 -2,-0.3 -7,-1.1 -0.983 13.1-165.8-129.3 127.4 16.2 35.4 0.3 17 53 A Y E -AB 7 29A 74 12,-2.6 12,-2.6 -2,-0.4 -10,-0.2 -0.744 24.5-115.8-112.7 155.7 15.5 39.2 0.3 18 54 A S E + B 0 28A 16 -12,-2.7 -13,-3.2 -2,-0.3 2,-0.3 -0.600 48.4 169.6 -82.1 154.0 17.6 42.3 0.9 19 55 A G E -AB 4 27A 1 8,-1.7 8,-2.5 -15,-0.2 2,-0.4 -0.977 31.0-132.5-163.6 163.8 16.5 44.1 3.9 20 56 A I E -AB 3 26A 50 -17,-0.7 -17,-2.2 -2,-0.3 2,-0.4 -0.986 19.8-130.3-128.8 136.6 17.1 46.9 6.5 21 57 A R E A 2 0A 88 4,-2.6 -19,-0.2 -2,-0.4 -2,-0.0 -0.752 360.0 360.0 -86.1 139.0 16.9 46.8 10.2 22 58 A V 0 0 132 -21,-1.8 3,-0.2 -2,-0.4 -1,-0.1 0.636 360.0 360.0 -99.0 360.0 14.8 49.7 11.5 23 ! 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 24 61 A N 0 0 160 0, 0.0 -2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 24.2 19.7 50.8 10.4 25 62 A L - 0 0 72 -3,-0.2 -4,-2.6 -5,-0.1 2,-0.2 -0.327 360.0-113.8 -81.7 141.4 21.8 47.7 9.3 26 63 A P E +B 20 0A 38 0, 0.0 55,-1.1 0, 0.0 2,-0.3 -0.473 45.0 169.4 -67.2 135.8 21.8 45.8 6.1 27 64 A V E -BC 19 80A 0 -8,-2.5 -8,-1.7 53,-0.2 2,-0.4 -0.880 32.3-130.5-138.3 171.6 20.4 42.3 6.5 28 65 A A E -BC 18 79A 12 51,-2.3 51,-3.2 -2,-0.3 2,-0.6 -0.986 19.5-148.7-127.3 137.8 19.4 39.4 4.3 29 66 A I E -BC 17 78A 8 -12,-2.6 -12,-2.6 -2,-0.4 2,-0.5 -0.942 12.4-163.3-117.2 114.0 16.0 37.8 5.1 30 67 A K E -BC 16 77A 14 47,-2.9 47,-2.9 -2,-0.6 2,-0.5 -0.858 2.9-163.0-111.7 125.9 15.9 34.1 4.3 31 68 A H E -BC 15 76A 44 -16,-2.9 -16,-1.5 -2,-0.5 2,-0.4 -0.913 7.7-173.4-110.8 126.0 12.6 32.3 4.1 32 69 A V E -BC 14 75A 4 43,-2.7 43,-2.4 -2,-0.5 2,-0.3 -0.981 22.3-125.8-122.5 132.8 12.5 28.5 4.3 33 70 A E E > - C 0 74A 109 -20,-2.2 3,-0.5 -2,-0.4 4,-0.5 -0.586 7.5-144.1 -73.5 128.4 9.4 26.3 3.7 34 71 A K G > S+ 0 0 44 39,-2.9 3,-1.6 -2,-0.3 40,-0.2 0.941 104.1 58.2 -54.4 -48.5 8.6 23.8 6.5 35 72 A D G 3 S+ 0 0 102 38,-0.5 -1,-0.2 1,-0.2 39,-0.1 0.869 107.1 50.2 -42.0 -40.7 7.6 21.3 3.8 36 73 A R G < S+ 0 0 49 -3,-0.5 2,-0.5 -23,-0.2 -1,-0.2 0.398 83.0 100.0 -97.0 3.1 11.1 21.6 2.3 37 74 A I < + 0 0 26 -3,-1.6 3,-0.1 -4,-0.5 -24,-0.0 -0.776 39.3 177.3 -87.9 129.6 13.4 21.0 5.4 38 75 A S + 0 0 97 -2,-0.5 2,-0.6 1,-0.2 -1,-0.1 0.881 67.1 49.9 -94.4 -46.5 14.8 17.5 5.7 39 76 A D - 0 0 47 108,-0.2 8,-2.1 110,-0.0 9,-0.3 -0.863 67.5-172.8-103.9 114.8 17.1 17.8 8.8 40 77 A W E -E 46 0B 110 -2,-0.6 2,-0.2 6,-0.2 -2,-0.0 -0.653 2.0-174.6-100.1 158.6 15.7 19.4 12.1 41 78 A G E E 45 0B 18 4,-3.0 4,-1.8 -2,-0.2 6,-0.1 -0.697 360.0 360.0-137.7-172.4 17.5 20.3 15.4 42 79 A E 0 0 126 2,-0.2 -2,-0.0 -2,-0.2 5,-0.0 -0.796 360.0 360.0-116.4 360.0 16.7 21.6 19.0 43 ! 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 44 85 A R 0 0 99 0, 0.0 -2,-0.2 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 124.5 12.4 22.1 17.0 45 86 A V E -E 41 0B 15 -4,-1.8 -4,-3.0 25,-0.0 2,-0.2 -0.957 360.0 -78.2-144.0 160.6 14.2 24.3 14.3 46 87 A P E >> -E 40 0B 0 0, 0.0 3,-1.7 0, 0.0 4,-1.3 -0.477 45.3-119.4 -59.2 137.3 15.8 23.9 11.0 47 88 A M H 3> S+ 0 0 32 -8,-2.1 4,-3.4 1,-0.3 5,-0.3 0.851 111.1 68.2 -44.5 -40.6 19.3 22.5 11.4 48 89 A E H 3> S+ 0 0 11 -9,-0.3 4,-3.4 1,-0.2 -1,-0.3 0.887 100.4 49.7 -49.0 -43.0 20.7 25.7 9.7 49 90 A V H <> S+ 0 0 2 -3,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.949 111.7 46.5 -64.3 -48.0 19.6 27.6 12.8 50 91 A V H X S+ 0 0 29 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.944 116.7 46.2 -53.1 -49.4 21.2 25.2 15.2 51 92 A L H X S+ 0 0 0 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.891 112.7 48.0 -65.2 -43.1 24.3 25.3 13.1 52 93 A L H X S+ 0 0 5 -4,-3.4 4,-2.8 -5,-0.3 13,-0.3 0.868 108.6 53.4 -69.9 -37.7 24.4 29.0 12.8 53 94 A K H < S+ 0 0 142 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.2 0.932 110.0 50.6 -59.9 -39.5 23.9 29.6 16.6 54 95 A K H < S+ 0 0 92 -4,-2.1 3,-0.2 -5,-0.2 -2,-0.2 0.839 123.4 28.7 -64.0 -35.2 26.9 27.3 17.2 55 96 A V H < S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.695 102.6 81.1 -99.0 -22.1 29.1 29.1 14.8 56 97 A S < + 0 0 31 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 0.384 64.0 112.8 -78.0 3.5 27.6 32.6 15.1 57 98 A S S S- 0 0 94 -4,-0.3 2,-0.1 -3,-0.2 -4,-0.0 -0.634 81.1 -21.4 -73.8 130.8 29.4 33.4 18.3 58 99 A G S S- 0 0 71 -2,-0.4 2,-0.4 2,-0.0 -3,-0.0 -0.328 102.9 -33.9 80.2-158.6 32.0 36.2 17.9 59 100 A F S S+ 0 0 205 -2,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.808 72.6 125.0 -94.0 144.8 33.7 37.3 14.7 60 101 A S S S- 0 0 39 -2,-0.4 4,-0.1 2,-0.3 53,-0.1 -0.956 70.6 -79.3-169.7-166.1 34.6 35.1 11.8 61 102 A G S S+ 0 0 18 -2,-0.3 82,-1.8 48,-0.1 2,-0.4 -0.216 96.0 99.2 -99.0 35.1 34.4 34.4 8.1 62 103 A V B S-f 143 0C 8 80,-0.3 -2,-0.3 -7,-0.1 2,-0.2 -0.983 84.8-107.5-119.1 135.9 30.9 33.0 8.6 63 104 A I - 0 0 5 80,-2.3 2,-0.2 -2,-0.4 -2,-0.1 -0.402 40.9-123.4 -56.0 127.5 27.7 34.9 8.0 64 105 A R - 0 0 21 -2,-0.2 16,-2.1 -4,-0.1 2,-0.7 -0.555 7.5-133.9 -84.6 140.1 26.1 35.8 11.4 65 106 A L E -D 79 0A 24 -13,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.849 22.8-178.0 -86.1 115.0 22.5 34.9 12.3 66 107 A L E - 0 0 64 12,-3.0 2,-0.3 -2,-0.7 13,-0.2 0.749 60.3 -37.4 -86.8 -24.1 21.0 38.0 13.8 67 108 A D E -D 78 0A 62 11,-1.1 11,-2.8 2,-0.0 -1,-0.3 -0.946 53.6-149.4 177.3 170.6 17.6 36.5 14.6 68 109 A W E -D 77 0A 77 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.965 5.0-157.1-158.3 165.2 15.0 34.2 13.4 69 110 A F E -D 76 0A 80 7,-2.0 7,-2.2 -2,-0.3 2,-0.4 -0.982 12.6-133.9-143.6 148.3 11.2 33.7 13.5 70 111 A E E -D 75 0A 111 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.863 22.8-178.9-104.5 147.8 8.8 30.9 13.2 71 112 A R - 0 0 127 3,-2.0 3,-0.2 -2,-0.4 -2,-0.0 -0.895 45.0 -91.6-131.6 167.2 5.6 31.1 11.1 72 113 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.906 120.3 9.0 -42.7 -54.4 2.8 28.7 10.4 73 114 A D S S+ 0 0 120 -39,-0.1 -39,-2.9 -3,-0.1 -38,-0.5 0.476 128.5 26.1-113.2 3.5 4.4 27.2 7.3 74 115 A S E -C 33 0A 17 -41,-0.3 -3,-2.0 -3,-0.2 2,-0.3 -0.936 64.1-122.1-155.9 160.4 8.0 28.5 7.1 75 116 A F E -CD 32 70A 0 -43,-2.4 -43,-2.7 -2,-0.3 2,-0.5 -0.891 19.9-149.9-111.1 157.2 11.0 29.9 9.2 76 117 A V E -CD 31 69A 9 -7,-2.2 -7,-2.0 -2,-0.3 2,-0.4 -0.986 9.3-163.7-129.1 122.4 12.5 33.2 8.5 77 118 A L E -CD 30 68A 0 -47,-2.9 -47,-2.9 -2,-0.5 2,-0.5 -0.838 9.3-148.7-107.6 141.3 16.2 33.8 9.3 78 119 A I E -CD 29 67A 2 -11,-2.8 -12,-3.0 -2,-0.4 -11,-1.1 -0.936 26.3-177.7-113.8 122.0 17.7 37.3 9.6 79 120 A L E -CD 28 65A 19 -51,-3.2 -51,-2.3 -2,-0.5 -14,-0.2 -0.821 32.2 -93.2-126.9 154.7 21.3 37.3 8.4 80 121 A E E -C 27 0A 62 -16,-2.1 -53,-0.2 -2,-0.3 -1,-0.1 -0.275 36.6-162.6 -57.4 144.6 24.2 39.7 8.1 81 122 A R - 0 0 34 -55,-1.1 2,-0.1 -54,-0.1 -1,-0.0 -0.917 3.5-155.2-134.0 113.2 24.5 41.5 4.8 82 123 A P - 0 0 11 0, 0.0 3,-0.3 0, 0.0 52,-0.1 -0.470 23.4-120.4 -80.3 162.6 27.7 43.2 3.7 83 124 A E S S+ 0 0 127 1,-0.4 2,-0.1 -2,-0.1 52,-0.1 -0.922 94.3 26.3-160.6 115.1 27.4 46.0 1.2 84 125 A P S S+ 0 0 42 0, 0.0 52,-1.6 0, 0.0 53,-0.5 0.573 90.3 159.2 -81.9 158.9 28.7 46.0 -1.3 85 126 A V E -G 135 0C 52 -3,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.924 20.4-177.2-139.0 153.8 29.0 42.2 -1.7 86 127 A Q E -G 134 0C 33 48,-1.2 48,-2.1 -2,-0.3 2,-0.1 -0.950 29.0-122.4-149.9 135.0 29.4 39.7 -4.6 87 128 A D E > -G 133 0C 41 -2,-0.3 4,-1.7 46,-0.2 46,-0.2 -0.407 27.4-115.5 -77.0 161.5 29.4 35.9 -4.3 88 129 A L H > S+ 0 0 0 44,-2.6 4,-2.2 41,-1.0 42,-0.2 0.790 111.9 60.9 -72.6 -27.7 32.5 34.1 -5.5 89 130 A F H > S+ 0 0 92 40,-0.9 4,-2.7 43,-0.3 3,-0.2 0.985 110.4 42.8 -60.6 -53.3 30.7 32.3 -8.3 90 131 A D H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 111.0 54.0 -50.3 -44.4 29.9 35.6 -9.8 91 132 A F H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.853 111.7 45.5 -69.4 -30.5 33.2 37.1 -9.2 92 133 A I H X S+ 0 0 5 -4,-2.2 4,-2.1 -3,-0.2 -2,-0.2 0.904 109.6 54.2 -78.6 -41.1 34.9 34.2 -11.1 93 134 A T H < S+ 0 0 98 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.910 115.3 42.3 -53.6 -40.4 32.4 34.3 -13.9 94 135 A E H < S+ 0 0 132 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.866 125.6 28.0 -81.7 -36.3 33.2 38.0 -14.3 95 136 A R H < S- 0 0 113 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.544 95.1-138.8-109.0 0.3 37.0 38.0 -14.0 96 137 A G < + 0 0 32 -4,-2.1 -1,-0.3 -5,-0.1 101,-0.2 -0.263 64.8 0.3 70.2-165.1 38.0 34.5 -15.2 97 138 A A S S- 0 0 31 99,-0.3 98,-0.2 1,-0.1 2,-0.2 -0.227 84.2-120.7 -51.5 135.8 40.7 32.4 -13.4 98 139 A L - 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0 0 14 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.370 33.3-129.6 -78.5 155.1 35.5 23.1 -11.6 200 241 A P S S+ 0 0 16 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.830 85.2 41.0 -74.4 -29.1 37.7 20.2 -12.5 201 242 A F + 0 0 4 -36,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.946 43.7 170.7-127.7 133.3 35.0 17.4 -12.9 202 243 A E + 0 0 105 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.690 67.2 53.0-105.3 -24.3 31.5 17.4 -14.4 203 244 A H S >> S- 0 0 108 1,-0.1 4,-2.1 -38,-0.1 3,-1.0 -0.878 80.5-116.4-127.2 145.2 30.7 13.7 -14.3 204 245 A D H 3> S+ 0 0 56 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.806 113.6 52.4 -41.5 -44.0 30.6 10.9 -11.8 205 246 A E H 3> S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.874 106.8 50.7 -73.8 -31.2 33.3 8.9 -13.7 206 247 A E H <>>S+ 0 0 76 -3,-1.0 4,-2.8 2,-0.2 5,-0.5 0.897 111.5 50.9 -66.4 -40.2 35.8 11.8 -13.8 207 248 A I H <5S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.960 113.4 43.9 -54.8 -51.9 35.2 12.2 -10.0 208 249 A I H <5S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.2 48.7 -65.1 -38.2 35.9 8.5 -9.5 209 250 A R H <5S- 0 0 169 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.882 87.8-165.8 -68.6 -35.6 38.8 8.7 -11.8 210 251 A G T <5 + 0 0 18 -4,-2.8 2,-0.6 1,-0.2 -3,-0.1 0.812 27.3 152.3 54.3 34.7 40.2 11.8 -10.0 211 252 A Q < - 0 0 111 -5,-0.5 2,-0.7 2,-0.0 -1,-0.2 -0.841 36.1-143.9 -95.3 124.7 42.7 12.7 -12.7 212 253 A V - 0 0 5 -2,-0.6 2,-0.5 11,-0.0 15,-0.1 -0.807 16.8-174.6-102.4 118.8 43.4 16.4 -12.7 213 254 A F - 0 0 153 -2,-0.7 2,-0.5 -13,-0.2 -2,-0.0 -0.917 17.8-141.0-104.8 127.5 43.9 18.2 -15.9 214 255 A F - 0 0 24 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.749 16.2-175.5 -92.1 129.3 44.9 21.9 -15.8 215 256 A R + 0 0 123 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.551 70.0 42.5 -97.2 -5.8 43.3 24.1 -18.4 216 257 A Q S S- 0 0 98 0, 0.0 2,-0.4 0, 0.0 -20,-0.0 -0.881 102.2 -79.9-137.7 157.6 45.2 27.3 -17.4 217 258 A R + 0 0 198 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.533 57.5 172.4 -64.7 119.1 48.8 28.1 -16.4 218 259 A V - 0 0 7 -2,-0.4 5,-0.1 -4,-0.1 -4,-0.1 -1.000 33.9-110.1-133.4 134.4 49.0 27.1 -12.7 219 260 A S > - 0 0 19 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.095 29.0-116.2 -58.9 161.5 52.2 27.0 -10.6 220 261 A S H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.794 112.2 53.7 -69.9 -31.4 53.5 23.6 -9.6 221 262 A E H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 27,-0.2 0.941 109.0 48.4 -73.8 -42.1 53.0 24.1 -5.9 222 263 A C H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.900 111.3 50.7 -58.4 -42.7 49.4 25.0 -6.4 223 264 A Q H X S+ 0 0 45 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.920 110.8 50.5 -63.3 -36.9 48.9 21.9 -8.6 224 265 A H H X S+ 0 0 104 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.950 111.2 46.6 -66.0 -47.0 50.5 19.9 -5.9 225 266 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.920 114.4 48.3 -60.2 -40.0 48.3 21.3 -3.3 226 267 A I H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.943 111.9 47.5 -71.3 -44.4 45.2 20.8 -5.4 227 268 A R H < S+ 0 0 102 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.824 110.5 55.0 -65.8 -30.1 46.1 17.2 -6.3 228 269 A W H >< S+ 0 0 75 -4,-2.4 3,-1.8 -5,-0.2 -2,-0.2 0.963 108.0 45.9 -66.8 -50.5 46.8 16.5 -2.7 229 270 A C H 3< S+ 0 0 0 -4,-2.4 -41,-0.3 1,-0.3 -1,-0.2 0.764 113.0 54.6 -57.3 -26.9 43.3 17.7 -1.5 230 271 A L T 3< S+ 0 0 5 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.135 75.0 143.5-101.6 21.4 41.9 15.6 -4.4 231 272 A A < - 0 0 20 -3,-1.8 6,-0.1 1,-0.1 5,-0.1 -0.363 53.5-132.0 -55.5 134.9 43.6 12.3 -3.4 232 273 A L S S+ 0 0 81 -22,-0.1 -62,-0.2 -23,-0.1 -1,-0.1 0.886 93.1 66.2 -63.4 -39.1 41.2 9.4 -4.2 233 274 A R S > S- 0 0 156 1,-0.2 3,-2.0 -64,-0.1 4,-0.4 -0.740 82.6-140.6 -85.4 123.2 41.8 7.8 -0.8 234 275 A P G > S+ 0 0 41 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.855 100.3 54.3 -45.2 -41.9 40.3 10.0 2.0 235 276 A S G 3 S+ 0 0 93 1,-0.3 -3,-0.1 -3,-0.1 -2,-0.0 0.591 97.6 63.6 -80.7 -11.0 43.2 9.3 4.4 236 277 A D G < S+ 0 0 79 -3,-2.0 -1,-0.3 -5,-0.1 -4,-0.1 0.493 85.5 101.3 -81.0 -9.0 45.7 10.4 1.8 237 278 A R S < S- 0 0 15 -3,-1.9 -8,-0.2 -4,-0.4 -9,-0.1 -0.478 80.8-104.8 -77.0 148.3 44.2 13.9 1.9 238 279 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.304 27.8-121.9 -65.3 151.6 45.9 16.7 3.9 239 280 A T > - 0 0 74 1,-0.1 4,-2.6 -55,-0.0 5,-0.2 -0.512 35.8-100.3 -78.4 166.7 44.6 17.9 7.2 240 281 A F H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.896 126.5 53.6 -54.2 -42.3 43.7 21.5 7.5 241 282 A E H > S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 107.4 49.1 -60.2 -46.4 47.0 22.1 9.2 242 283 A E H 4 S+ 0 0 83 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.895 110.5 52.1 -60.5 -38.9 48.9 20.4 6.4 243 284 A I H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 6,-0.3 0.983 111.3 46.2 -59.8 -55.2 47.0 22.6 3.9 244 285 A Q H 3< S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.717 112.3 50.5 -62.3 -21.1 47.9 25.8 5.8 245 286 A N T 3< S+ 0 0 105 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.390 84.0 121.3 -94.7 3.0 51.6 24.7 6.1 246 287 A H S X S- 0 0 10 -3,-2.0 3,-2.7 -4,-0.3 4,-0.3 -0.384 74.5-122.7 -65.5 134.8 51.8 24.0 2.4 247 288 A P G > S+ 0 0 77 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.861 111.4 60.7 -50.6 -35.0 54.5 26.0 0.7 248 289 A W G 3 S+ 0 0 3 1,-0.3 -26,-0.1 -27,-0.2 -4,-0.1 0.735 99.8 58.2 -62.4 -20.1 51.9 27.5 -1.7 249 290 A M G < S+ 0 0 2 -3,-2.7 3,-0.4 -6,-0.3 -1,-0.3 0.380 81.6 115.7 -91.3 2.0 50.1 29.0 1.3 250 291 A Q S < S+ 0 0 80 -3,-1.6 -5,-0.0 -4,-0.3 -146,-0.0 -0.306 70.4 16.5 -77.3 157.0 52.9 31.1 2.7 251 292 A D S S- 0 0 155 1,-0.1 -1,-0.2 -2,-0.0 2,-0.1 0.888 79.7-174.0 53.3 48.0 53.0 34.9 2.9 252 293 A V - 0 0 39 -3,-0.4 2,-0.2 -148,-0.1 -1,-0.1 -0.433 21.1-118.6 -68.7 147.4 49.3 35.3 2.5 253 294 A L - 0 0 30 -152,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.551 27.5-102.0 -86.8 157.0 48.1 38.9 2.2 254 295 A L > - 0 0 109 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.313 31.7-112.4 -69.2 151.3 45.7 40.6 4.6 255 296 A P H > S+ 0 0 40 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.952 119.8 51.7 -54.1 -43.2 42.1 40.9 3.6 256 297 A Q H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.921 109.9 45.8 -60.7 -46.5 42.6 44.7 3.4 257 298 A E H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.880 112.3 54.5 -58.6 -35.3 45.8 44.5 1.2 258 299 A T H X>S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.6 0.915 109.6 46.3 -65.6 -43.3 43.8 42.0 -0.9 259 300 A A H X5S+ 0 0 7 -4,-2.5 4,-1.3 -121,-0.3 -2,-0.2 0.910 113.1 48.7 -65.4 -40.8 41.0 44.5 -1.3 260 301 A E H <5S+ 0 0 88 -4,-2.4 -2,-0.2 3,-0.2 -3,-0.2 0.967 122.0 32.9 -68.3 -46.5 43.4 47.4 -2.1 261 302 A I H <5S+ 0 0 100 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.860 133.5 22.2 -72.5 -41.1 45.3 45.4 -4.8 262 303 A H H <5 0 0 16 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.576 360.0 360.0-117.9 -16.2 42.7 43.2 -6.3 263 304 A L << 0 0 64 -4,-1.3 -3,-0.2 -5,-0.6 -4,-0.2 0.688 360.0 360.0-122.5 360.0 39.3 44.7 -5.6