==== 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 26-JUL-04 1U54 . COMPND 2 MOLECULE: ACTIVATED CDC42 KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.C.LOUGHEED,R.H.CHEN,P.MAK,T.J.STOUT . 524 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 32 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 1 2 3 0 2 0 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 2 5 3 2 3 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 . 4 0 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 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 1 115 A Q 0 0 160 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-149.0 47.8 23.4 40.8 2 116 A S + 0 0 114 1,-0.4 2,-0.1 67,-0.0 0, 0.0 -0.029 360.0 98.0 111.7 -21.2 45.5 20.2 40.3 3 117 A L - 0 0 116 66,-0.0 -1,-0.4 1,-0.0 2,-0.3 -0.446 64.0-135.9 -97.6 165.6 47.6 18.2 42.8 4 118 A T + 0 0 49 -2,-0.1 2,-0.3 -3,-0.1 66,-0.3 -0.899 31.5 175.3-116.8 151.9 47.4 17.1 46.4 5 119 A C E -a 70 0A 40 64,-1.2 66,-1.8 -2,-0.3 2,-0.3 -0.978 35.1 -90.3-155.2 162.9 50.4 17.2 48.8 6 120 A L E -a 71 0A 132 -2,-0.3 2,-0.4 64,-0.2 66,-0.2 -0.586 41.9-156.4 -73.7 140.0 52.1 16.8 52.2 7 121 A I - 0 0 10 64,-2.1 67,-0.4 -2,-0.3 2,-0.4 -0.955 10.6-137.1-128.5 129.5 52.1 20.0 54.3 8 122 A G > - 0 0 32 -2,-0.4 3,-3.3 1,-0.1 64,-0.0 -0.694 23.4-126.5 -82.3 137.6 54.5 21.1 57.1 9 123 A E G > S+ 0 0 89 -2,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.572 109.4 77.4 -59.3 -8.6 52.7 22.7 60.1 10 124 A K G 3 S+ 0 0 203 1,-0.2 -1,-0.3 3,-0.1 3,-0.0 0.752 94.8 48.9 -64.3 -25.7 55.3 25.4 59.4 11 125 A D G < S+ 0 0 67 -3,-3.3 19,-2.2 1,-0.1 2,-0.3 0.045 104.1 74.9-103.1 22.1 52.9 26.4 56.5 12 126 A L E < -B 29 0A 11 -3,-1.0 2,-0.6 17,-0.2 17,-0.2 -0.934 48.2-175.4-147.5 116.2 49.7 26.4 58.6 13 127 A R E -B 28 0A 191 15,-1.4 15,-1.2 -2,-0.3 -3,-0.1 -0.931 25.8-146.6-102.5 104.6 48.3 28.8 61.2 14 128 A L E +B 27 0A 49 -2,-0.6 13,-0.2 13,-0.2 2,-0.2 -0.222 25.5 173.0 -61.2 156.8 45.1 27.3 62.6 15 129 A L + 0 0 70 11,-1.3 12,-0.1 1,-0.3 3,-0.1 -0.500 33.4 0.2-142.8-141.8 42.3 29.7 63.6 16 130 A E S S- 0 0 98 -2,-0.2 10,-2.2 9,-0.2 2,-1.0 -0.035 71.4-102.1 -60.4 148.0 38.6 29.9 64.7 17 131 A K + 0 0 132 8,-0.2 8,-0.3 1,-0.2 -1,-0.2 -0.600 36.2 179.7 -70.6 103.0 36.5 26.9 65.4 18 132 A L - 0 0 81 -2,-1.0 2,-0.3 6,-0.5 7,-0.2 0.809 69.2 -22.6 -70.8 -32.7 34.2 26.5 62.3 19 133 A G B C 24 0A 29 5,-1.4 5,-3.0 -3,-0.1 -1,-0.3 -0.960 360.0 360.0-167.4 158.4 32.6 23.4 63.8 20 134 A D 0 0 156 -2,-0.3 3,-0.2 3,-0.2 5,-0.1 -0.654 360.0 360.0 -66.0 360.0 33.2 20.5 66.3 21 ! 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 22 138 A G 0 0 87 0, 0.0 2,-0.2 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0 175.3 38.6 15.9 66.0 23 139 A V - 0 0 40 -3,-0.2 20,-1.2 19,-0.0 2,-0.4 -0.501 360.0-119.3-100.4 164.5 37.4 19.5 65.6 24 140 A V E +CD 19 42A 36 -5,-3.0 -5,-1.4 18,-0.2 -6,-0.5 -0.922 32.5 173.3-105.9 138.5 37.2 21.8 62.5 25 141 A R E - D 0 41A 88 16,-2.0 16,-1.7 -2,-0.4 2,-0.2 -0.989 31.2-118.7-139.8 146.1 39.1 25.1 62.3 26 142 A R E + D 0 40A 86 -10,-2.2 -11,-1.3 -2,-0.3 2,-0.3 -0.602 44.0 179.1 -80.7 150.3 39.6 27.7 59.6 27 143 A G E -BD 14 39A 0 12,-2.7 12,-1.6 -2,-0.2 2,-0.5 -0.860 36.0-114.5-150.7 173.2 43.2 28.3 58.6 28 144 A E E -BD 13 38A 75 -15,-1.2 -15,-1.4 -2,-0.3 2,-0.7 -0.971 26.8-163.9-121.2 110.6 46.0 29.9 56.6 29 145 A W E -BD 12 37A 16 8,-3.0 2,-3.0 -2,-0.5 8,-1.9 -0.873 14.4-146.7-103.6 108.4 47.9 27.6 54.2 30 146 A D E - D 0 36A 84 -19,-2.2 6,-0.3 -2,-0.7 4,-0.2 -0.360 34.3-156.5 -74.7 69.0 51.1 29.1 53.0 31 147 A A > - 0 0 4 -2,-3.0 3,-1.3 4,-1.4 2,-0.9 0.107 27.8-101.6 -56.3 155.9 50.8 27.3 49.7 32 148 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.020 116.4 67.1 -67.2 30.8 53.6 26.4 47.3 33 149 A S T 3 S- 0 0 66 -2,-0.9 -2,-0.1 2,-0.3 3,-0.1 0.056 119.5-103.5-121.7 19.6 52.6 29.4 45.0 34 150 A G S < S+ 0 0 71 -3,-1.3 2,-0.1 1,-0.2 -3,-0.1 -0.192 87.2 130.5 75.3 -36.5 53.6 32.0 47.6 35 151 A K - 0 0 147 -5,-0.1 -4,-1.4 1,-0.1 2,-0.5 -0.225 55.6-147.5 -62.8 118.7 49.9 32.3 48.2 36 152 A T E -D 30 0A 77 -6,-0.3 2,-0.3 -3,-0.1 -6,-0.2 -0.766 31.9-159.6 -77.0 126.9 48.6 32.1 51.8 37 153 A V E -D 29 0A 35 -8,-1.9 -8,-3.0 -2,-0.5 2,-0.5 -0.863 19.8-119.1-123.3 147.5 45.3 30.4 51.2 38 154 A S E +D 28 0A 46 -2,-0.3 45,-0.7 -10,-0.2 2,-0.3 -0.761 43.9 167.1 -93.3 127.7 42.1 30.1 53.2 39 155 A V E -DE 27 82A 0 -12,-1.6 -12,-2.7 -2,-0.5 2,-0.3 -0.919 38.2-125.5-140.4 144.2 41.4 26.6 53.9 40 156 A A E -DE 26 81A 13 41,-2.2 41,-1.8 -2,-0.3 2,-0.4 -0.726 29.9-149.2 -86.0 153.9 39.1 24.7 56.2 41 157 A V E -DE 25 80A 0 -16,-1.7 -16,-2.0 -2,-0.3 2,-1.5 -0.914 11.0-161.9-139.7 98.5 41.2 22.3 58.4 42 158 A K E -DE 24 79A 54 37,-2.4 37,-1.5 -2,-0.4 -18,-0.2 -0.685 27.8-169.9 -84.4 85.5 39.6 19.1 59.5 43 159 A C E E 0 78A 24 -2,-1.5 35,-0.2 -20,-1.2 34,-0.1 -0.128 360.0 360.0 -69.9 172.8 42.0 18.3 62.4 44 160 A L 0 0 90 33,-1.0 34,-0.2 -22,-0.2 -1,-0.1 0.281 360.0 360.0-158.9 360.0 42.4 15.1 64.5 45 ! 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 46 170 A A 0 0 86 0, 0.0 4,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -51.7 39.8 6.7 63.8 47 171 A M >> + 0 0 95 2,-0.2 4,-2.1 1,-0.2 3,-0.7 0.853 360.0 50.7 -70.2 -43.7 43.2 6.7 62.1 48 172 A D H 3> S+ 0 0 106 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.754 110.4 50.7 -55.6 -30.9 41.6 4.3 59.6 49 173 A D H 3> S+ 0 0 62 2,-0.2 4,-0.6 3,-0.1 -1,-0.2 0.496 108.0 51.3 -92.6 -10.5 38.8 6.8 59.4 50 174 A F H <> S+ 0 0 6 -3,-0.7 4,-2.3 -4,-0.2 3,-0.3 0.900 113.7 41.8 -84.4 -53.3 41.1 9.8 58.7 51 175 A I H X S+ 0 0 64 -4,-2.1 4,-1.6 1,-0.3 -2,-0.2 0.690 110.4 58.2 -73.5 -19.9 43.0 8.2 55.9 52 176 A R H X S+ 0 0 84 -4,-0.7 4,-0.9 -5,-0.2 -1,-0.3 0.908 108.6 45.3 -69.1 -44.5 39.9 6.7 54.4 53 177 A E H X S+ 0 0 15 -4,-0.6 4,-2.2 -3,-0.3 3,-0.5 0.894 111.9 51.9 -66.6 -44.2 38.4 10.2 54.1 54 178 A V H X S+ 0 0 19 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.907 111.2 47.9 -53.6 -48.0 41.7 11.6 52.7 55 179 A N H X S+ 0 0 94 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.726 110.2 52.5 -67.1 -22.7 41.8 8.9 50.1 56 180 A A H X S+ 0 0 9 -4,-0.9 4,-1.1 -3,-0.5 -2,-0.2 0.920 112.3 44.1 -78.9 -47.8 38.1 9.5 49.2 57 181 A M H < S+ 0 0 5 -4,-2.2 11,-0.6 1,-0.2 -2,-0.2 0.633 105.3 63.5 -64.3 -23.0 38.7 13.1 48.6 58 182 A H H < S+ 0 0 109 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.923 99.4 52.0 -81.1 -45.4 41.9 12.6 46.7 59 183 A S H < S+ 0 0 47 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.941 102.3 79.0 -48.2 -50.9 40.2 10.8 43.9 60 184 A L < + 0 0 12 -4,-1.1 8,-0.3 6,-0.1 2,-0.2 -0.202 44.9 169.2 -76.1 152.4 37.6 13.6 43.5 61 185 A D + 0 0 80 6,-0.1 2,-0.3 -2,-0.0 5,-0.1 -0.814 26.0 132.7-156.8 112.4 37.9 17.0 41.7 62 186 A H > - 0 0 38 3,-0.3 3,-1.6 -2,-0.2 53,-0.0 -0.973 59.5-124.6-170.9 141.7 34.6 19.0 41.2 63 187 A R T 3 S+ 0 0 188 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.865 116.7 44.6 -62.8 -37.4 33.0 22.5 41.5 64 188 A N T 3 S+ 0 0 7 79,-0.1 80,-2.7 -3,-0.1 2,-0.3 0.297 106.0 70.3 -88.6 9.1 30.2 20.9 43.6 65 189 A L B < S-g 144 0B 2 -3,-1.6 -3,-0.3 78,-0.2 2,-0.3 -0.941 90.8-107.3-119.0 148.6 32.5 18.8 45.8 66 190 A I - 0 0 10 78,-1.8 2,-0.2 -2,-0.3 -6,-0.1 -0.613 38.9-130.8 -74.0 131.8 34.8 20.1 48.5 67 191 A R - 0 0 99 -2,-0.3 15,-2.3 -4,-0.1 2,-0.6 -0.590 4.3-139.1 -82.7 141.8 38.5 19.8 47.3 68 192 A L E - F 0 81A 11 -11,-0.6 13,-0.2 -8,-0.3 3,-0.1 -0.935 19.2-177.5 -91.2 121.1 41.1 18.2 49.5 69 193 A Y E - 0 0 44 11,-2.6 -64,-1.2 -2,-0.6 2,-0.3 0.793 55.8 -49.0 -81.6 -33.6 44.3 20.3 49.0 70 194 A G E -aF 5 80A 0 10,-1.2 10,-2.7 -66,-0.3 2,-0.4 -0.992 48.4-105.7 171.5 178.9 46.6 18.3 51.2 71 195 A V E -aF 6 79A 10 -66,-1.8 -64,-2.1 -2,-0.3 2,-0.6 -0.975 8.5-147.1-138.9 138.4 47.4 16.5 54.5 72 196 A V E + F 0 78A 0 6,-3.1 6,-2.7 -2,-0.4 -64,-0.1 -0.970 15.1 179.6-102.8 123.3 49.5 17.2 57.5 73 197 A L + 0 0 82 -2,-0.6 4,-0.2 -66,-0.3 -1,-0.1 0.427 49.8 108.6-101.0 -4.2 50.7 13.8 58.8 74 198 A T S S- 0 0 69 -67,-0.4 -2,-0.1 2,-0.2 -67,-0.0 -0.570 89.3 -63.1 -71.0 135.0 52.7 15.5 61.6 75 199 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.469 132.3 39.6 -77.7 135.7 50.8 14.7 64.9 76 200 A P S S- 0 0 78 0, 0.0 -2,-0.2 0, 0.0 -32,-0.1 0.406 101.7-137.6 -70.3 134.3 48.0 15.7 65.3 77 201 A M - 0 0 41 -4,-0.2 -33,-1.0 -34,-0.1 2,-0.3 -0.089 20.3-157.4 -58.7 151.0 47.3 14.9 61.6 78 202 A K E -EF 43 72A 2 -6,-2.7 -6,-3.1 -35,-0.2 2,-0.5 -0.992 16.4-145.9-139.1 144.7 45.2 17.4 59.6 79 203 A M E -EF 42 71A 2 -37,-1.5 -37,-2.4 -2,-0.3 2,-0.9 -0.932 17.6-155.3-104.0 118.6 43.1 17.5 56.5 80 204 A V E +EF 41 70A 0 -10,-2.7 -11,-2.6 -2,-0.5 -10,-1.2 -0.803 22.7 172.0-104.3 103.5 43.3 20.7 54.5 81 205 A T E -EF 40 68A 14 -41,-1.8 -41,-2.2 -2,-0.9 -13,-0.2 -0.646 40.1 -85.9-107.7 166.5 40.3 21.3 52.5 82 206 A E E -E 39 0A 16 -15,-2.3 2,-0.3 -2,-0.2 -43,-0.2 -0.423 51.3-119.6 -60.4 139.0 38.8 24.1 50.4 83 207 A L - 0 0 28 -45,-0.7 -1,-0.1 -2,-0.1 3,-0.1 -0.681 17.2-161.1 -96.2 138.3 36.9 26.5 52.4 84 208 A A > - 0 0 9 -2,-0.3 3,-2.0 1,-0.1 52,-0.2 -0.894 14.5-163.7-113.0 96.5 33.2 27.3 52.0 85 209 A P T 3 S+ 0 0 92 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.657 80.6 59.4 -64.9 -21.5 33.1 30.6 53.8 86 210 A L T 3 S- 0 0 61 50,-1.7 51,-0.1 1,-0.2 2,-0.1 0.494 94.7-156.6 -82.7 -5.5 29.3 30.8 54.3 87 211 A G < + 0 0 25 -3,-2.0 49,-1.8 49,-0.4 2,-0.6 -0.352 46.2 17.0 78.5-141.6 29.2 27.5 56.2 88 212 A S B > -H 135 0B 24 47,-0.2 4,-2.1 1,-0.2 47,-0.2 -0.599 48.9-158.4 -82.5 115.3 26.4 25.0 56.7 89 213 A L H > S+ 0 0 0 45,-1.2 4,-3.1 -2,-0.6 3,-0.5 0.952 97.9 56.1 -50.3 -49.9 23.4 25.3 54.3 90 214 A L H > S+ 0 0 0 41,-1.2 4,-2.1 44,-0.5 -1,-0.2 0.918 106.1 49.0 -54.4 -47.0 21.4 23.5 56.9 91 215 A D H > S+ 0 0 78 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.869 114.3 47.3 -53.9 -37.6 22.3 26.1 59.5 92 216 A R H X S+ 0 0 83 -4,-2.1 4,-2.0 -3,-0.5 3,-0.3 0.888 107.3 54.9 -75.4 -38.1 21.3 28.8 57.0 93 217 A L H < S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.897 109.7 48.9 -57.7 -39.8 18.0 27.1 56.1 94 218 A R H < S+ 0 0 5 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.737 115.3 40.8 -73.4 -25.7 17.0 27.1 59.7 95 219 A K H < S+ 0 0 97 -4,-0.9 2,-0.3 -3,-0.3 -2,-0.2 0.798 123.2 35.2 -91.4 -30.7 17.8 30.8 60.5 96 220 A H S X S+ 0 0 74 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 -0.603 73.4 172.3-123.7 59.4 16.5 32.4 57.2 97 221 A Q T >4 S+ 0 0 57 -3,-0.3 3,-1.1 -2,-0.3 -1,-0.2 0.894 79.3 21.7 -30.8 -80.1 13.4 30.2 56.5 98 222 A G T 34 S+ 0 0 56 1,-0.3 -1,-0.2 104,-0.0 -5,-0.1 0.581 97.0 94.9 -78.6 -12.0 11.9 32.1 53.6 99 223 A H T 34 S+ 0 0 88 -3,-0.3 2,-1.1 1,-0.2 -1,-0.3 0.688 74.9 75.7 -51.7 -26.3 15.1 33.9 52.6 100 224 A F S << S- 0 0 3 -3,-1.1 -1,-0.2 -4,-0.6 5,-0.1 -0.788 76.9-158.9 -90.3 87.3 15.4 31.1 50.2 101 225 A L >> - 0 0 131 -2,-1.1 3,-1.3 1,-0.1 4,-1.0 -0.393 36.8-106.6 -54.7 144.6 13.0 31.9 47.4 102 226 A L H 3> S+ 0 0 50 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.601 117.3 70.1 -66.3 -14.5 12.4 28.4 45.8 103 227 A G H 3> S+ 0 0 15 2,-0.2 4,-2.1 1,-0.1 -1,-0.3 0.961 101.1 46.4 -52.2 -54.1 14.5 29.5 42.8 104 228 A T H <> S+ 0 0 16 -3,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.851 109.2 52.4 -61.2 -43.9 17.6 29.4 45.0 105 229 A L H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.789 109.3 50.7 -67.7 -29.5 16.9 26.0 46.6 106 230 A S H X S+ 0 0 4 -4,-1.2 4,-2.6 -3,-0.2 5,-0.3 0.929 102.5 58.1 -76.3 -37.7 16.4 24.4 43.2 107 231 A R H X S+ 0 0 119 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.817 111.1 46.6 -53.9 -32.3 19.8 25.9 42.0 108 232 A Y H X S+ 0 0 0 -4,-1.2 4,-3.4 2,-0.2 5,-0.3 0.910 106.7 54.9 -73.4 -46.8 21.2 23.9 44.9 109 233 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.961 111.7 45.4 -56.8 -51.1 19.2 20.7 44.2 110 234 A V H >X S+ 0 0 12 -4,-2.6 4,-2.7 1,-0.2 3,-0.6 0.944 113.0 50.2 -48.2 -56.5 20.7 20.7 40.7 111 235 A Q H 3X S+ 0 0 38 -4,-1.6 4,-2.4 1,-0.3 -1,-0.2 0.865 109.6 51.3 -56.9 -35.5 24.2 21.5 42.0 112 236 A V H 3X S+ 0 0 2 -4,-3.4 4,-2.1 2,-0.2 -1,-0.3 0.866 111.2 48.7 -66.6 -33.4 23.9 18.6 44.5 113 237 A A H S+ 0 0 1 -4,-1.4 5,-1.7 1,-0.2 -2,-0.2 0.929 110.9 54.5 -56.0 -40.8 30.4 10.3 42.1 120 244 A E H ><5S+ 0 0 42 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.918 107.9 46.9 -59.5 -45.2 28.1 8.0 40.2 121 245 A S H 3<5S+ 0 0 88 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.957 111.8 51.8 -60.5 -48.9 30.2 8.0 37.1 122 246 A K T 3<5S- 0 0 97 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.272 114.3-117.8 -68.1 2.4 33.3 7.4 39.3 123 247 A R T < 5 + 0 0 53 -3,-1.5 30,-2.2 1,-0.2 2,-0.2 0.531 67.9 136.7 65.4 13.9 31.6 4.4 41.0 124 248 A F E < -J 152 0C 26 -5,-1.7 2,-0.4 28,-0.2 28,-0.2 -0.563 43.9-148.8 -82.6 148.4 31.7 5.9 44.5 125 249 A I E -J 151 0C 0 26,-2.8 26,-2.4 -2,-0.2 60,-0.1 -0.992 0.8-158.0-117.1 131.9 28.8 5.8 47.0 126 250 A H - 0 0 0 -2,-0.4 23,-0.2 24,-0.2 -1,-0.1 0.885 12.5-173.3 -77.1 -49.8 28.5 8.8 49.3 127 251 A R + 0 0 2 57,-0.2 -1,-0.1 1,-0.1 20,-0.0 0.249 69.9 59.6 83.5 -10.6 26.5 7.1 52.0 128 252 A D + 0 0 19 18,-0.1 2,-0.7 40,-0.1 -1,-0.1 -0.345 63.2 158.1-142.6 46.6 25.8 10.2 54.2 129 253 A L + 0 0 0 3,-0.1 2,-0.3 43,-0.1 66,-0.2 -0.710 22.8 125.6 -83.0 117.9 24.0 12.6 51.8 130 254 A A S > S- 0 0 0 -2,-0.7 3,-2.9 65,-0.1 4,-0.2 -0.961 72.1 -96.9-170.8 152.2 22.1 15.1 54.0 131 255 A A G > S+ 0 0 0 1,-0.3 -41,-1.2 -2,-0.3 3,-1.1 0.701 114.4 67.6 -63.0 -15.6 21.8 18.9 54.3 132 256 A R G 3 S+ 0 0 49 1,-0.2 -1,-0.3 -43,-0.1 -41,-0.1 0.665 102.5 49.0 -78.2 -9.0 24.2 19.1 57.2 133 257 A N G < S+ 0 0 14 -3,-2.9 12,-2.2 -5,-0.1 2,-0.4 0.231 88.8 93.9-107.0 13.2 26.9 18.1 54.8 134 258 A L E < - I 0 144B 1 -3,-1.1 -45,-1.2 10,-0.2 -44,-0.5 -0.864 59.5-168.9 -96.2 138.7 26.0 20.6 52.1 135 259 A L E -HI 88 143B 49 8,-2.8 8,-3.3 -2,-0.4 2,-0.6 -0.931 18.3-126.6-124.1 155.4 28.1 23.7 52.4 136 260 A L E + I 0 142B 3 -49,-1.8 -50,-1.7 -2,-0.3 -49,-0.4 -0.926 24.8 171.9-106.5 112.0 27.8 27.2 50.7 137 261 A A S S- 0 0 16 4,-1.6 2,-0.2 -2,-0.6 -51,-0.2 0.942 82.2 -4.3 -72.1 -60.5 30.9 28.6 49.0 138 262 A T S S- 0 0 66 3,-1.2 -1,-0.2 -53,-0.1 3,-0.1 -0.685 84.3 -98.4-113.4 178.8 28.8 31.5 47.5 139 263 A R S S+ 0 0 136 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 0.877 129.6 40.3 -56.8 -40.8 25.1 32.2 47.7 140 264 A D S S+ 0 0 97 1,-0.1 2,-0.5 -4,-0.0 -1,-0.2 0.597 110.4 68.6 -81.4 -14.4 24.9 30.7 44.2 141 265 A L + 0 0 22 -3,-0.1 -4,-1.6 -30,-0.0 -3,-1.2 -0.951 55.5 179.5-129.4 123.1 27.4 27.8 44.9 142 266 A V E - I 0 136B 3 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.937 9.2-159.7-126.1 136.3 26.9 24.8 47.1 143 267 A K E - I 0 135B 26 -8,-3.3 -8,-2.8 -2,-0.4 2,-0.3 -0.946 23.5-119.5-123.7 141.3 29.3 22.0 47.7 144 268 A I E -gI 65 134B 1 -80,-2.7 -78,-1.8 -2,-0.4 -10,-0.2 -0.607 38.8-170.3 -77.4 143.3 28.9 18.5 49.1 145 269 A G + 0 0 17 -12,-2.2 2,-0.4 -2,-0.3 -11,-0.1 0.550 44.3 54.9-129.4 -12.1 31.0 18.5 52.1 146 270 A D + 0 0 42 -13,-0.2 3,-0.4 -18,-0.1 -1,-0.2 -0.821 36.0 171.4-146.5 103.0 31.8 15.3 54.0 147 271 A F > + 0 0 1 -2,-0.4 3,-0.7 1,-0.2 -91,-0.1 0.095 43.8 115.9-102.8 23.3 33.3 12.2 52.5 148 272 A G T 3 S+ 0 0 17 1,-0.2 -1,-0.2 -20,-0.1 -21,-0.1 0.803 85.3 36.0 -57.0 -37.4 34.0 10.3 55.7 149 273 A L T 3 S+ 0 0 22 -3,-0.4 -1,-0.2 -23,-0.2 -2,-0.1 0.476 87.7 130.6 -95.1 1.8 31.6 7.4 54.8 150 274 A M < - 0 0 5 -3,-0.7 2,-0.3 -22,-0.1 -24,-0.2 -0.268 33.9-178.6 -62.8 139.3 32.4 7.5 51.1 151 275 A R E -J 125 0C 17 -26,-2.4 -26,-2.8 -95,-0.1 2,-0.4 -0.988 24.0-131.5-141.6 139.0 33.2 4.2 49.7 152 276 A A E -J 124 0C 57 -2,-0.3 -28,-0.2 -28,-0.2 -29,-0.1 -0.781 24.8-128.4 -95.9 139.4 34.1 2.9 46.2 153 277 A L - 0 0 10 -30,-2.2 2,-0.2 -2,-0.4 7,-0.1 -0.682 25.7-118.4 -85.8 134.8 32.2 -0.0 44.9 154 278 A P > - 0 0 69 0, 0.0 3,-1.0 0, 0.0 5,-0.1 -0.518 29.9-105.9 -73.4 149.8 34.4 -2.8 43.6 155 279 A Q T 3 S+ 0 0 155 1,-0.3 2,-0.1 -2,-0.2 -2,-0.0 0.707 120.8 52.4 -54.5 -22.5 34.0 -3.6 39.9 156 280 A N T 3 S+ 0 0 159 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.297 103.2 72.1-104.8 52.3 32.2 -6.8 40.8 157 281 A D < - 0 0 72 -3,-1.0 3,-0.0 -2,-0.1 -4,-0.0 -0.949 43.1-176.3-161.7 132.0 29.6 -5.2 43.1 158 282 A D S S+ 0 0 108 -2,-0.3 27,-0.3 -5,-0.0 2,-0.3 0.373 84.2 54.2 -99.5 1.1 26.5 -2.9 43.0 159 283 A H - 0 0 97 25,-0.1 2,-0.4 -5,-0.1 25,-0.2 -0.912 61.3-155.3-136.0 153.9 26.5 -2.9 46.8 160 284 A X E -K 183 0D 70 23,-1.4 23,-2.2 -2,-0.3 2,-0.8 -0.976 15.6-154.1-127.7 117.3 28.7 -2.2 49.9 161 285 A V E -K 182 0D 93 -2,-0.4 21,-0.2 21,-0.2 2,-0.2 -0.821 13.9-166.8-101.5 106.1 27.8 -4.0 53.1 162 286 A M - 0 0 5 19,-1.3 2,-0.1 -2,-0.8 -2,-0.0 -0.470 9.6-134.9 -88.7 157.2 29.0 -2.1 56.3 163 287 A Q > - 0 0 156 -2,-0.2 3,-1.6 0, 0.0 -1,-0.1 -0.287 34.2 -63.5-115.2-167.7 29.2 -3.5 59.9 164 288 A E T 3 S+ 0 0 174 1,-0.3 -2,-0.0 2,-0.2 17,-0.0 0.854 110.1 66.9 -52.2 -77.2 28.3 -2.7 63.5 165 289 A H T 3 0 0 185 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.602 360.0 360.0 -13.9 -34.5 30.5 0.4 64.6 166 290 A R < 0 0 62 -3,-1.6 -1,-0.3 15,-0.0 -2,-0.2 0.720 360.0 360.0-102.8 360.0 28.4 2.3 62.2 167 ! 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 0.0 168 292 A V 0 0 30 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 126.5 24.9 6.3 60.1 169 293 A P >> - 0 0 55 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.811 360.0-147.5 -75.5 123.8 22.0 8.5 61.1 170 294 A F G >4 S+ 0 0 76 -2,-0.6 3,-2.4 1,-0.3 7,-0.1 0.926 83.5 74.1 -62.1 -52.5 19.1 6.2 60.3 171 295 A A G 34 S+ 0 0 10 1,-0.3 -1,-0.3 39,-0.2 37,-0.0 0.549 100.7 46.4 -43.9 -19.8 16.4 8.8 59.3 172 296 A W G <4 S+ 0 0 13 -3,-1.2 -1,-0.3 2,-0.1 22,-0.2 0.696 92.7 93.9 -95.9 -23.1 18.2 9.3 55.9 173 297 A C S << S- 0 0 1 -3,-2.4 5,-0.1 -4,-0.5 15,-0.1 -0.308 76.3-107.4 -83.5 158.5 18.9 5.8 54.7 174 298 A A >> - 0 0 0 8,-0.1 4,-0.9 1,-0.1 3,-0.7 -0.162 38.4-101.5 -70.3 166.3 16.9 3.5 52.4 175 299 A P H >> S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-1.7 0.979 123.4 54.0 -51.5 -59.2 15.0 0.6 53.9 176 300 A E H 3> S+ 0 0 25 1,-0.3 4,-1.7 2,-0.2 6,-0.5 0.714 103.9 60.6 -44.2 -26.8 17.6 -1.9 52.7 177 301 A S H <> S+ 0 0 1 -3,-0.7 4,-0.8 4,-0.2 -1,-0.3 0.812 105.7 41.0 -81.5 -30.9 20.2 0.2 54.5 178 302 A L H << S+ 0 0 23 -3,-1.8 -2,-0.2 -4,-0.9 -1,-0.2 0.842 120.4 42.1 -89.9 -34.1 18.9 -0.1 58.0 179 303 A K H < S+ 0 0 106 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.1 0.944 136.4 13.5 -66.2 -50.0 17.9 -3.8 57.9 180 304 A T H < S- 0 0 63 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.395 92.2-121.9-116.1 2.5 21.0 -5.0 56.1 181 305 A R < + 0 0 59 -4,-0.8 -19,-1.3 1,-0.2 2,-0.4 0.970 60.2 153.8 47.4 61.0 23.6 -2.1 56.2 182 306 A T E -K 161 0D 20 -6,-0.5 2,-0.4 -21,-0.2 -21,-0.2 -0.956 27.6-164.6-130.3 115.6 23.6 -2.2 52.4 183 307 A F E +K 160 0D 1 -23,-2.2 -23,-1.4 -2,-0.4 2,-0.2 -0.789 14.9 160.4-114.0 136.4 24.5 0.9 50.3 184 308 A S > - 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