==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAY-09 3HDN . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE SGK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.ZHAO,M.HAMMOND . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 16.1 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 . 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 . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 1 0 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 4 0 1 0 1 1 1 1 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 . 0 0 1 0 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 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 82 A Q 0 0 117 0, 0.0 2,-0.4 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 132.8 32.1 58.0 71.6 2 83 A I - 0 0 74 55,-0.0 2,-0.4 2,-0.0 72,-0.0 -0.894 360.0-113.6-108.7 135.2 30.2 54.9 72.8 3 84 A N + 0 0 115 -2,-0.4 54,-0.6 1,-0.2 55,-0.5 -0.534 37.2 170.5 -69.8 118.0 30.3 53.8 76.5 4 85 A L - 0 0 3 -2,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.528 37.0-129.6-107.8 -11.9 32.1 50.4 76.7 5 86 A G > - 0 0 29 1,-0.2 3,-0.9 2,-0.1 -1,-0.3 -0.622 53.3 -29.6 100.4-156.9 32.4 50.1 80.5 6 87 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.2 0, 0.0 66,-0.0 0.730 128.0 64.2 -73.0 -25.3 35.4 49.3 82.8 7 88 A S T 3 S+ 0 0 24 -3,-0.4 65,-1.9 64,-0.1 -2,-0.1 0.605 76.5 124.7 -73.8 -12.8 37.2 47.2 80.2 8 89 A S B < -a 72 0A 48 -3,-0.9 65,-0.2 63,-0.2 -5,-0.0 -0.167 46.6-159.7 -54.9 136.4 37.6 50.3 78.0 9 90 A N - 0 0 48 63,-3.3 3,-0.5 1,-0.1 65,-0.2 -0.912 8.9-171.8-122.8 101.2 41.1 51.2 76.9 10 91 A P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 63,-0.1 0.541 86.7 48.0 -70.1 -5.9 41.5 54.8 75.8 11 92 A H S S+ 0 0 166 2,-0.0 2,-0.1 62,-0.0 62,-0.1 0.674 85.5 100.9-106.4 -25.3 45.1 54.2 74.6 12 93 A A + 0 0 17 -3,-0.5 62,-0.2 60,-0.2 -3,-0.1 -0.402 46.6 176.7 -71.7 138.6 44.7 51.0 72.5 13 94 A K > - 0 0 37 -2,-0.1 3,-2.3 60,-0.1 4,-0.2 -0.946 45.6-110.2-139.0 155.7 44.6 51.3 68.7 14 95 A P G > S+ 0 0 31 0, 0.0 3,-1.5 0, 0.0 -2,-0.0 0.735 113.2 73.3 -57.1 -22.6 44.3 48.8 65.7 15 96 A S G 3 S+ 0 0 91 1,-0.3 -3,-0.0 3,-0.1 22,-0.0 0.577 85.8 64.9 -66.7 -12.0 47.9 49.9 65.0 16 97 A D G < S+ 0 0 53 -3,-2.3 21,-2.5 21,-0.1 22,-0.4 0.530 94.5 74.5 -87.7 -7.7 49.0 47.8 68.0 17 98 A F E < -B 36 0A 4 -3,-1.5 2,-0.7 19,-0.2 19,-0.2 -0.866 63.5-148.4-118.9 140.9 48.0 44.5 66.4 18 99 A H E -B 35 0A 107 17,-2.6 17,-2.8 -2,-0.4 2,-0.4 -0.915 23.5-151.4-100.4 106.9 49.3 42.2 63.7 19 100 A F E +B 34 0A 90 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.667 20.4 172.9 -81.1 129.1 46.2 40.5 62.1 20 101 A L E - 0 0 104 13,-3.0 2,-0.3 -2,-0.4 -1,-0.2 0.883 55.1 -18.4 -99.5 -65.1 47.0 37.1 60.6 21 102 A K E -B 33 0A 133 12,-0.6 12,-2.9 0, 0.0 2,-0.4 -0.927 68.7 -90.1-143.7 165.3 43.8 35.3 59.5 22 103 A V E -B 32 0A 88 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.677 31.5-172.5 -80.6 127.2 40.0 35.5 59.8 23 104 A I E - 0 0 73 8,-2.0 2,-0.2 -2,-0.4 9,-0.2 0.938 59.7 -32.4 -83.4 -55.5 38.7 33.3 62.7 24 105 A G E -B 31 0A 30 7,-1.8 7,-2.1 2,-0.0 2,-0.6 -0.848 43.1-134.2-174.0 132.6 34.9 33.5 62.2 25 106 A K E +B 30 0A 173 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.813 35.3 173.4 -90.6 120.5 32.1 35.8 61.1 26 107 A G E > -B 29 0A 39 3,-2.2 3,-0.5 -2,-0.6 -1,-0.0 -0.226 48.5 -84.6-107.0-160.5 29.2 35.8 63.5 27 108 A S T 3 S+ 0 0 55 1,-0.2 131,-0.1 -2,-0.1 3,-0.1 0.769 123.8 45.4 -78.5 -28.5 25.9 37.8 63.8 28 109 A F T 3 S- 0 0 28 1,-0.2 2,-0.3 129,-0.1 -1,-0.2 -0.228 125.2 -63.4-115.1 41.7 27.5 40.7 65.6 29 110 A G E < -B 26 0A 25 -3,-0.5 -3,-2.2 19,-0.1 2,-0.4 -0.755 68.8 -50.4 119.1-162.5 30.7 41.2 63.6 30 111 A K E -BC 25 47A 85 17,-2.2 17,-3.1 -2,-0.3 2,-0.4 -0.921 34.5-146.3-120.5 142.9 33.9 39.4 62.6 31 112 A V E -BC 24 46A 27 -7,-2.1 -8,-2.0 -2,-0.4 -7,-1.8 -0.921 21.5-172.8-108.9 132.3 36.5 37.6 64.8 32 113 A L E -BC 22 45A 26 13,-2.3 13,-2.9 -2,-0.4 2,-0.6 -0.943 27.9-118.1-128.6 144.8 40.1 37.7 63.7 33 114 A L E +BC 21 44A 15 -12,-2.9 -13,-3.0 -2,-0.3 -12,-0.6 -0.726 43.8 174.9 -79.5 121.0 43.4 36.1 64.8 34 115 A A E -BC 19 43A 0 9,-2.7 9,-3.7 -2,-0.6 2,-0.5 -0.979 26.3-151.8-133.8 143.5 45.7 38.8 66.0 35 116 A R E -BC 18 42A 95 -17,-2.8 -17,-2.6 -2,-0.4 7,-0.2 -0.969 28.9-121.3-114.0 121.3 49.2 39.0 67.6 36 117 A H E > -B 17 0A 33 5,-2.2 4,-1.8 -2,-0.5 -19,-0.2 -0.448 16.4-141.4 -63.1 124.3 50.0 42.0 69.8 37 118 A K T 4 S+ 0 0 94 -21,-2.5 -1,-0.1 -2,-0.2 -20,-0.1 0.901 96.3 28.8 -53.3 -48.6 53.0 43.7 68.3 38 119 A A T 4 S+ 0 0 86 -22,-0.4 -1,-0.1 1,-0.1 -21,-0.1 0.976 123.2 43.9 -78.8 -61.5 54.5 44.5 71.7 39 120 A E T 4 S- 0 0 110 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.700 92.5-143.5 -62.9 -23.5 53.3 41.8 74.1 40 121 A E < + 0 0 41 -4,-1.8 2,-0.3 1,-0.2 -3,-0.1 0.778 56.5 118.9 63.7 32.1 54.1 39.1 71.4 41 122 A V - 0 0 62 -5,-0.2 -5,-2.2 0, 0.0 2,-0.4 -0.878 64.9-105.4-125.3 160.9 51.0 37.0 72.3 42 123 A F E +C 35 0A 97 -2,-0.3 43,-0.6 -7,-0.2 2,-0.3 -0.696 35.0 178.7 -93.6 132.4 47.9 35.8 70.3 43 124 A Y E -CD 34 84A 18 -9,-3.7 -9,-2.7 -2,-0.4 2,-0.7 -0.967 30.7-128.5-128.7 145.5 44.5 37.3 70.8 44 125 A A E -CD 33 83A 9 39,-1.5 39,-2.7 -2,-0.3 2,-0.6 -0.858 32.3-162.3 -88.0 114.7 41.1 36.7 69.3 45 126 A V E -CD 32 82A 0 -13,-2.9 -13,-2.3 -2,-0.7 2,-0.6 -0.895 7.1-158.3-109.3 114.1 39.9 40.2 68.3 46 127 A K E -CD 31 81A 21 35,-2.3 35,-2.1 -2,-0.6 2,-0.5 -0.800 10.8-163.9 -90.4 122.0 36.2 40.7 67.6 47 128 A V E +CD 30 80A 6 -17,-3.1 -17,-2.2 -2,-0.6 2,-0.4 -0.918 9.0 180.0-110.6 130.2 35.5 43.8 65.5 48 129 A L E - D 0 79A 10 31,-2.4 31,-3.2 -2,-0.5 2,-0.2 -0.998 27.4-120.7-131.4 133.5 32.1 45.4 65.1 49 130 A Q E > - D 0 78A 116 -2,-0.4 3,-1.5 29,-0.2 29,-0.3 -0.499 11.6-138.6 -76.1 138.0 31.1 48.4 63.1 50 131 A K G > S+ 0 0 37 27,-3.0 3,-0.7 1,-0.3 28,-0.1 0.645 100.8 65.8 -71.0 -17.2 29.6 51.4 64.9 51 132 A K G 3 S+ 0 0 98 26,-0.5 -1,-0.3 1,-0.2 27,-0.1 0.509 91.1 66.6 -79.7 -5.8 27.1 52.0 62.1 52 133 A A G < S+ 0 0 24 -3,-1.5 104,-3.0 103,-0.0 2,-0.4 0.489 82.4 91.7 -93.4 -6.1 25.5 48.6 63.0 53 134 A I B < F 155 0B 45 -3,-0.7 102,-0.2 102,-0.2 101,-0.0 -0.745 360.0 360.0 -94.8 137.1 24.3 49.8 66.5 54 135 A L 0 0 151 100,-1.8 -1,-0.1 -2,-0.4 101,-0.1 0.596 360.0 360.0-111.8 360.0 20.8 51.2 67.0 55 ! 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 56 149 A V 0 0 126 0, 0.0 3,-0.1 0, 0.0 -52,-0.1 0.000 360.0 360.0 360.0 51.0 24.9 50.5 78.8 57 150 A L + 0 0 19 -54,-0.6 94,-2.4 1,-0.2 2,-0.5 0.810 360.0 46.9-107.0 -45.5 26.0 48.3 75.8 58 151 A L B +G 150 0C 15 -55,-0.5 2,-0.3 92,-0.2 -1,-0.2 -0.906 51.0 171.2-109.4 128.4 28.8 46.0 77.2 59 152 A K - 0 0 134 90,-2.0 2,-0.2 -2,-0.5 -54,-0.1 -0.739 18.3-161.0-134.3 85.1 28.6 44.1 80.4 60 153 A N - 0 0 40 -2,-0.3 2,-0.4 89,-0.0 89,-0.2 -0.450 3.5-164.4 -71.4 133.6 31.5 41.7 80.8 61 154 A V - 0 0 22 87,-0.5 2,-0.4 -2,-0.2 8,-0.1 -0.979 10.8-141.0-122.0 130.3 31.3 38.8 83.2 62 155 A K + 0 0 156 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.745 34.8 146.3 -92.4 134.6 34.3 36.8 84.4 63 156 A H > - 0 0 23 3,-0.5 3,-2.3 -2,-0.4 -2,-0.1 -0.933 57.8-114.1-164.3 140.6 33.9 33.0 84.9 64 157 A P T 3 S+ 0 0 55 0, 0.0 4,-0.1 0, 0.0 78,-0.0 0.630 120.9 42.3 -51.5 -15.9 36.2 30.0 84.5 65 158 A F T 3 S+ 0 0 0 79,-0.1 80,-2.3 2,-0.1 2,-0.4 0.240 100.8 80.2-119.5 10.1 33.9 28.9 81.6 66 159 A L B < S-h 145 0D 15 -3,-2.3 -3,-0.5 78,-0.2 80,-0.2 -0.957 90.9-101.6-114.6 139.0 33.3 32.2 79.9 67 160 A V - 0 0 7 78,-3.0 2,-0.5 -2,-0.4 -6,-0.2 -0.286 41.9-114.1 -59.9 137.7 35.9 33.7 77.5 68 161 A G - 0 0 23 -4,-0.1 16,-1.0 -6,-0.1 2,-0.7 -0.658 17.1-147.9 -85.2 121.2 38.0 36.4 79.2 69 162 A L E - E 0 83A 11 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.781 14.5-177.3 -84.2 115.9 37.8 40.0 77.9 70 163 A H E - 0 0 83 12,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.959 60.6 -37.5 -77.3 -56.9 41.2 41.6 78.3 71 164 A F E - E 0 82A 33 11,-0.7 11,-2.0 -62,-0.0 2,-0.3 -0.971 50.7-136.4-160.8 168.8 40.3 45.1 77.1 72 165 A S E +aE 8 81A 0 -65,-1.9 -63,-3.3 -2,-0.3 2,-0.3 -0.980 19.4 173.5-134.4 147.3 38.2 47.1 74.6 73 166 A F E - E 0 80A 2 7,-1.7 7,-2.9 -2,-0.3 2,-0.3 -0.971 13.2-146.4-148.9 162.7 38.8 50.1 72.4 74 167 A Q E - E 0 79A 67 -2,-0.3 5,-0.2 -65,-0.2 2,-0.1 -0.980 4.9-163.6-137.3 143.8 37.2 52.1 69.6 75 168 A T - 0 0 59 3,-2.7 5,-0.0 -2,-0.3 -62,-0.0 -0.297 52.3 -84.1 -99.4-165.9 38.0 54.1 66.4 76 169 A A S S+ 0 0 95 -2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.714 126.5 17.3 -72.9 -21.1 35.8 56.5 64.6 77 170 A D S S+ 0 0 116 1,-0.2 -27,-3.0 -27,-0.1 -26,-0.5 0.655 120.6 49.9-122.9 -29.5 34.1 53.7 62.7 78 171 A K E -D 49 0A 78 -29,-0.3 -3,-2.7 -28,-0.1 2,-0.4 -0.847 57.4-143.2-125.1 152.7 34.8 50.4 64.4 79 172 A L E -DE 48 74A 0 -31,-3.2 -31,-2.4 -2,-0.3 2,-0.4 -0.919 19.1-156.8-109.3 141.3 34.7 48.8 67.9 80 173 A Y E -DE 47 73A 20 -7,-2.9 -7,-1.7 -2,-0.4 2,-0.5 -0.958 9.1-170.2-123.2 136.2 37.3 46.2 69.0 81 174 A F E -DE 46 72A 0 -35,-2.1 -35,-2.3 -2,-0.4 2,-0.6 -0.921 12.6-151.9-129.1 106.1 37.1 43.5 71.7 82 175 A V E +DE 45 71A 0 -11,-2.0 -12,-2.1 -2,-0.5 -11,-0.7 -0.666 26.9 172.2 -81.6 116.7 40.3 41.7 72.7 83 176 A L E -DE 44 69A 12 -39,-2.7 -39,-1.5 -2,-0.6 -14,-0.2 -0.715 39.6 -81.6-119.7 167.3 39.5 38.2 73.9 84 177 A D E -D 43 0A 62 -16,-1.0 2,-1.1 -2,-0.2 -41,-0.1 -0.489 42.9-123.9 -62.1 134.7 41.4 35.0 74.9 85 178 A Y - 0 0 88 -43,-0.6 2,-0.8 -2,-0.2 -43,-0.1 -0.771 25.2-158.1 -83.6 102.6 42.4 33.0 71.8 86 179 A I + 0 0 30 -2,-1.1 3,-0.4 1,-0.1 51,-0.1 -0.756 17.0 174.6 -86.7 110.2 40.8 29.6 72.6 87 180 A N + 0 0 92 -2,-0.8 51,-0.2 1,-0.2 -1,-0.1 0.547 53.1 90.9-100.4 -10.6 42.8 27.1 70.6 88 181 A G S S- 0 0 10 49,-0.7 50,-0.2 1,-0.1 -1,-0.2 0.628 92.9-120.6 -62.5 -14.3 41.4 23.7 71.6 89 182 A G - 0 0 27 -3,-0.4 48,-2.3 48,-0.3 -1,-0.1 0.048 40.2 -44.9 91.6 158.9 38.9 24.0 68.8 90 183 A E B >> -I 136 0D 101 46,-0.2 4,-1.1 1,-0.1 3,-0.8 -0.321 48.0-131.2 -59.4 137.1 35.1 23.9 68.7 91 184 A L H 3> S+ 0 0 0 44,-1.7 4,-1.5 41,-0.3 3,-0.4 0.896 107.4 54.0 -54.3 -43.1 33.5 21.3 70.9 92 185 A F H 3> S+ 0 0 24 43,-0.5 4,-2.2 40,-0.5 -1,-0.2 0.643 97.2 64.2 -75.3 -16.0 31.2 20.1 68.0 93 186 A Y H <> S+ 0 0 114 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.909 106.7 44.1 -65.2 -45.0 34.2 19.6 65.7 94 187 A H H X S+ 0 0 12 -4,-1.1 4,-0.6 -3,-0.4 -2,-0.2 0.860 111.3 55.4 -65.4 -37.2 35.4 16.9 68.1 95 188 A L H >X S+ 0 0 4 -4,-1.5 3,-0.8 2,-0.2 4,-0.8 0.914 107.4 47.9 -61.8 -47.2 31.8 15.6 68.2 96 189 A Q H >< S+ 0 0 127 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.900 109.6 53.8 -58.4 -43.6 31.6 15.3 64.4 97 190 A R H 3< S+ 0 0 168 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.611 119.4 34.1 -68.7 -13.9 35.0 13.4 64.5 98 191 A E H << S- 0 0 74 -3,-0.8 2,-2.3 -4,-0.6 -1,-0.2 0.347 98.6-134.1-120.3 1.2 33.6 11.0 67.0 99 192 A R S << S- 0 0 69 -4,-0.8 2,-0.3 -3,-0.7 -4,-0.1 -0.263 79.7 -2.4 69.8 -48.9 30.0 10.8 65.8 100 193 A C S S- 0 0 59 -2,-2.3 2,-0.3 -6,-0.1 98,-0.2 -0.966 76.4-105.1-158.3 169.2 28.8 11.2 69.4 101 194 A F - 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0 0 22 0, 0.0 3,-1.4 0, 0.0 -9,-0.1 -0.269 56.0 -85.8 -66.0 155.0 20.0 18.5 67.3 203 296 A P T 3 S+ 0 0 9 0, 0.0 13,-0.1 0, 0.0 12,-0.0 -0.341 112.7 11.2 -62.3 143.0 16.6 17.6 68.8 204 297 A F T 3 S+ 0 0 16 1,-0.2 11,-0.3 18,-0.2 12,-0.2 0.612 94.3 177.3 66.3 16.5 13.7 17.6 66.3 205 298 A Y < + 0 0 108 -3,-1.4 2,-0.3 10,-0.1 -1,-0.2 -0.046 10.9 166.4 -54.8 147.0 16.2 17.9 63.5 206 299 A S - 0 0 21 1,-0.1 -41,-0.2 3,-0.0 6,-0.1 -0.961 45.2-127.0-154.8 152.3 15.2 18.0 59.8 207 300 A R S S+ 0 0 156 -2,-0.3 -42,-2.0 -43,-0.1 2,-0.5 0.877 102.7 70.1 -63.9 -37.9 16.9 18.9 56.5 208 301 A N B > S-K 164 0E 35 -44,-0.2 4,-1.8 1,-0.1 -44,-0.2 -0.741 77.2-152.8 -82.3 121.5 14.0 21.2 55.9 209 302 A T H > S+ 0 0 7 -46,-2.4 4,-2.1 -2,-0.5 5,-0.2 0.882 95.1 50.6 -63.3 -42.1 14.2 24.2 58.4 210 303 A A H > S+ 0 0 66 -47,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.855 110.1 50.7 -66.0 -36.7 10.4 24.8 58.4 211 304 A E H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.849 107.9 54.4 -64.6 -37.2 9.8 21.1 59.1 212 305 A M H X S+ 0 0 27 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.912 108.1 47.2 -64.9 -45.1 12.3 21.4 62.0 213 306 A Y H X S+ 0 0 46 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.898 109.8 54.9 -60.4 -41.4 10.4 24.3 63.6 214 307 A D H X>S+ 0 0 91 -4,-1.8 4,-2.2 1,-0.2 5,-0.5 0.834 108.1 49.0 -62.3 -36.1 7.2 22.3 63.2 215 308 A N H X5S+ 0 0 35 -4,-1.7 4,-1.5 -11,-0.3 -2,-0.2 0.941 106.7 54.7 -66.0 -50.6 8.8 19.4 65.1 216 309 A I H <5S+ 0 0 11 -4,-2.2 -2,-0.2 -12,-0.2 -1,-0.2 0.850 118.4 35.7 -50.3 -40.3 10.0 21.6 67.9 217 310 A L H <5S+ 0 0 52 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.879 134.8 13.4 -83.7 -41.3 6.5 22.9 68.4 218 311 A N H <5S+ 0 0 109 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.727 98.7 86.7-117.2 -30.5 4.2 19.9 67.7 219 312 A K S < - 0 0 70 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.101 28.7-111.3 -62.9 157.5 20.9 5.9 80.7 229 322 A N H > S+ 0 0 135 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.862 119.5 53.9 -55.9 -40.6 17.6 6.6 82.6 230 323 A S H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 31,-0.3 0.915 111.3 45.1 -60.5 -45.0 19.2 9.6 84.3 231 324 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.899 113.9 50.7 -63.6 -42.2 20.1 11.0 80.9 232 325 A R H X S+ 0 0 69 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.903 112.3 46.0 -60.0 -45.1 16.6 10.1 79.6 233 326 A H H X S+ 0 0 110 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.840 111.6 51.3 -70.8 -36.0 14.9 11.8 82.6 234 327 A L H X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.917 110.6 47.7 -66.1 -45.8 17.1 15.0 82.3 235 328 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.867 110.0 53.0 -65.8 -37.5 16.4 15.4 78.6 236 329 A E H < S+ 0 0 90 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.856 115.2 43.1 -61.3 -36.6 12.7 14.9 79.2 237 330 A G H >< S+ 0 0 15 -4,-1.5 10,-2.4 1,-0.1 3,-0.8 0.899 118.1 41.6 -75.8 -44.9 12.9 17.7 81.9 238 331 A L H 3< S+ 0 0 0 -4,-3.1 -47,-0.2 1,-0.2 -2,-0.2 0.777 112.5 53.8 -77.6 -29.3 15.1 20.1 80.0 239 332 A L T 3< S+ 0 0 5 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 -0.108 73.4 141.0-100.0 35.5 13.4 19.7 76.6 240 333 A Q < - 0 0 69 -3,-0.8 6,-0.1 1,-0.1 -3,-0.1 -0.665 46.6-148.7 -73.9 127.0 9.9 20.5 78.0 241 334 A K S S+ 0 0 58 -2,-0.4 2,-0.7 -68,-0.1 -67,-0.2 0.870 85.4 70.7 -67.6 -38.2 8.0 22.6 75.4 242 335 A D S >> S- 0 0 68 1,-0.1 3,-1.3 -69,-0.1 4,-0.8 -0.739 73.9-156.5 -80.3 116.8 6.1 24.4 78.1 243 336 A R T 34 S+ 0 0 56 -2,-0.7 -1,-0.1 1,-0.3 -59,-0.1 0.508 91.4 61.6 -76.9 -4.8 8.6 26.6 79.9 244 337 A T T 34 S+ 0 0 108 1,-0.1 -1,-0.3 6,-0.0 5,-0.1 0.573 111.6 39.4 -88.9 -14.0 6.5 26.7 83.1 245 338 A K T <4 S+ 0 0 145 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.502 93.4 115.5-106.1 -12.2 6.9 22.9 83.3 246 339 A R S >< S- 0 0 2 -4,-0.8 3,-1.2 -6,-0.1 2,-0.3 -0.204 79.5 -95.5 -63.7 148.2 10.6 22.9 82.2 247 340 A L T 3 S+ 0 0 28 -10,-2.4 -1,-0.1 1,-0.3 -2,-0.1 -0.504 114.6 30.6 -64.6 123.3 13.4 21.7 84.5 248 341 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.3 -3,-0.1 4,-0.2 0.651 85.6 113.9 96.6 20.9 14.8 24.8 86.2 249 342 A A S < S+ 0 0 25 -3,-1.2 -2,-0.1 2,-0.1 -65,-0.1 0.873 84.4 28.2 -84.9 -43.9 11.5 26.8 86.1 250 343 A K S S+ 0 0 78 -4,-0.3 -3,-0.1 2,-0.1 -1,-0.0 0.830 142.1 13.3 -89.1 -36.6 10.9 27.0 89.9 251 344 A D S > S- 0 0 114 1,-0.3 3,-1.5 2,-0.0 4,-0.2 0.165 86.5-154.2-131.1 16.9 14.5 26.9 91.3 252 345 A D T >> S+ 0 0 22 1,-0.2 3,-1.6 2,-0.2 4,-0.8 -0.147 74.7 7.6 49.5-124.5 16.7 27.5 88.3 253 346 A F H 3> S+ 0 0 37 1,-0.3 4,-3.8 2,-0.2 3,-0.3 0.774 121.7 67.2 -62.8 -31.3 20.2 26.0 88.5 254 347 A M H <> S+ 0 0 104 -3,-1.5 4,-1.4 1,-0.2 -1,-0.3 0.751 98.5 54.3 -61.4 -25.5 19.5 24.1 91.8 255 348 A E H <4 S+ 0 0 47 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.847 115.9 37.1 -74.2 -37.5 17.1 21.9 89.8 256 349 A I H >< S+ 0 0 0 -4,-0.8 3,-1.8 -3,-0.3 6,-0.3 0.923 115.1 54.4 -77.8 -48.8 19.9 21.1 87.3 257 350 A K H 3< S+ 0 0 71 -4,-3.8 -3,-0.2 1,-0.3 -2,-0.2 0.870 112.4 43.5 -50.8 -44.8 22.7 20.9 89.9 258 351 A S T 3< S+ 0 0 85 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.277 86.5 126.2 -91.3 9.6 20.8 18.4 92.1 259 352 A H X - 0 0 16 -3,-1.8 3,-1.0 1,-0.1 -3,-0.1 -0.406 69.4-122.0 -71.9 146.9 19.6 16.2 89.2 260 353 A V G > S+ 0 0 86 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.758 110.4 62.1 -60.0 -29.1 20.4 12.5 89.3 261 354 A F G 3 S+ 0 0 3 -31,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.855 107.0 44.6 -64.1 -36.3 22.4 12.7 86.0 262 355 A F G X S+ 0 0 3 -3,-1.0 3,-1.3 -6,-0.3 -1,-0.3 0.035 78.6 114.4 -97.5 24.5 24.9 15.1 87.6 263 356 A S T < S+ 0 0 88 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.907 74.8 52.9 -57.9 -43.7 25.2 13.0 90.8 264 357 A L T 3 S+ 0 0 138 -3,-0.4 2,-0.6 -4,-0.2 -1,-0.2 0.455 89.3 104.0 -75.1 -0.9 28.8 12.2 90.1 265 358 A I < - 0 0 23 -3,-1.3 2,-1.0 -8,-0.1 3,-0.1 -0.753 56.7-159.5 -92.2 117.6 29.6 15.9 89.7 266 359 A N > - 0 0 72 -2,-0.6 4,-2.1 1,-0.2 3,-0.4 -0.826 10.7-166.4 -88.3 97.1 31.4 17.8 92.4 267 360 A W H > S+ 0 0 17 -2,-1.0 4,-1.7 1,-0.2 5,-0.2 0.722 83.6 56.8 -62.1 -25.2 30.4 21.3 91.4 268 361 A D H > S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.920 111.5 41.7 -70.5 -46.3 33.0 22.9 93.7 269 362 A D H 4>S+ 0 0 65 -3,-0.4 5,-3.4 2,-0.2 6,-0.5 0.801 110.5 60.3 -68.4 -31.8 35.8 20.9 92.0 270 363 A L H ><5S+ 0 0 1 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.948 108.2 40.1 -63.6 -53.0 34.3 21.6 88.6 271 364 A I H 3<5S+ 0 0 67 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.856 115.4 53.8 -65.1 -35.3 34.5 25.4 88.8 272 365 A N T 3<5S- 0 0 127 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.247 112.7-125.3 -81.9 12.7 37.9 25.0 90.4 273 366 A K T < 5 + 0 0 76 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.833 68.2 134.9 44.9 46.0 38.9 22.9 87.4 274 367 A K < + 0 0 58 -5,-3.4 2,-0.7 2,-0.1 -4,-0.2 0.786 48.2 80.9 -90.3 -34.6 40.0 20.0 89.6 275 368 A I S S- 0 0 60 -6,-0.5 -2,-0.0 -9,-0.2 -10,-0.0 -0.674 88.4-128.4 -72.0 114.9 38.3 17.3 87.5 276 369 A T - 0 0 118 -2,-0.7 -2,-0.1 1,-0.1 -135,-0.1 -0.494 30.8-101.0 -67.2 130.7 40.7 16.6 84.7 277 370 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -135,-0.1 -0.221 21.6-129.8 -53.6 140.3 38.9 16.9 81.3 278 371 A P S S+ 0 0 71 0, 0.0 2,-0.4 0, 0.0 -173,-0.1 0.740 94.2 40.7 -65.1 -23.9 38.1 13.5 79.7 279 372 A F - 0 0 61 -138,-0.3 0, 0.0 -174,-0.1 0, 0.0 -0.981 69.4-155.0-129.7 138.5 39.7 14.6 76.5 280 373 A N 0 0 115 -2,-0.4 -139,-0.2 -139,-0.0 -140,-0.1 -0.954 360.0 360.0-115.7 114.2 42.9 16.6 75.9 281 374 A P 0 0 64 0, 0.0 -192,-0.1 0, 0.0 -193,-0.1 -0.288 360.0 360.0 -62.0 360.0 43.2 18.6 72.6