==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-SEP-02 1MRV . COMPND 2 MOLECULE: RAC-BETA SERINE/THREONINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG,M.BEGLEY,K.A.MORGENSTERN,Y.GU,P.ROSE,H.ZHAO,X.ZHU . 261 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 64.8 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 . 39 14.9 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 0.8 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 . 25 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 23.8 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+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 1 1 0 1 0 0 0 0 0 1 0 0 1 0 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 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 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 1 147 A V 0 0 91 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 147.3 112.8 6.0 22.9 2 148 A T > - 0 0 69 58,-0.1 3,-1.8 1,-0.0 4,-0.1 -0.910 360.0 -86.6-152.4 178.6 110.7 3.2 24.4 3 149 A M G > S+ 0 0 80 1,-0.3 3,-2.0 -2,-0.3 -1,-0.0 0.842 117.7 69.4 -60.4 -33.8 109.4 1.7 27.6 4 150 A N G 3 S+ 0 0 127 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.567 89.0 64.2 -63.7 -7.6 112.6 -0.3 27.9 5 151 A D G < S+ 0 0 57 -3,-1.8 21,-3.0 21,-0.1 2,-0.3 0.483 97.0 66.4 -95.0 -1.8 114.5 2.9 28.6 6 152 A F E < -A 25 0A 17 -3,-2.0 2,-0.5 19,-0.2 19,-0.2 -0.885 65.0-145.0-125.3 152.6 112.8 3.6 31.9 7 153 A D E -A 24 0A 53 17,-1.4 17,-0.9 -2,-0.3 -3,-0.0 -0.962 28.8-123.4-113.9 128.2 112.6 2.1 35.3 8 154 A Y E +A 23 0A 152 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.283 36.0 163.4 -67.3 151.9 109.2 2.3 37.1 9 155 A L E - 0 0 58 13,-1.0 2,-0.3 1,-0.3 14,-0.2 0.503 54.0 -26.2-131.2 -69.2 109.1 4.0 40.6 10 156 A K E -A 22 0A 71 12,-1.1 12,-2.7 0, 0.0 2,-0.4 -0.967 58.8 -97.1-151.0 164.4 105.7 5.0 41.8 11 157 A L E -A 21 0A 84 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.717 29.3-179.1 -85.9 133.6 102.3 6.1 40.6 12 158 A L E - 0 0 47 8,-2.8 2,-0.3 -2,-0.4 9,-0.2 0.790 61.0 -24.0-100.9 -36.6 101.7 9.8 40.5 13 159 A G E -A 20 0A 29 7,-2.0 7,-2.7 2,-0.0 -1,-0.4 -0.984 44.4-145.1-169.7 163.5 98.1 10.1 39.3 14 160 A K E +A 19 0A 79 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.797 21.3 175.7-145.6 100.6 95.2 8.4 37.5 15 161 A G E > -A 18 0A 57 3,-0.6 3,-0.7 -2,-0.3 -2,-0.0 -0.144 47.3 -92.9 -90.2-171.7 92.7 10.3 35.4 16 162 A T T 3 S+ 0 0 153 1,-0.3 2,-1.4 -2,-0.0 22,-0.1 0.992 123.4 42.5 -66.0 -59.6 89.8 9.0 33.2 17 163 A F T 3 S- 0 0 41 20,-0.1 2,-0.3 24,-0.1 -1,-0.3 -0.307 128.7 -50.8 -83.0 52.1 91.9 8.9 30.0 18 164 A G E < -A 15 0A 18 -2,-1.4 -3,-0.6 -3,-0.7 2,-0.3 -0.813 59.3 -82.5 127.9-165.3 95.1 7.4 31.4 19 165 A K E -AB 14 36A 86 17,-2.5 17,-3.7 -2,-0.3 2,-0.4 -0.972 16.6-136.9-151.2 163.9 97.7 7.6 34.2 20 166 A V E -AB 13 35A 21 -7,-2.7 -8,-2.8 -2,-0.3 -7,-2.0 -0.995 22.2-175.4-127.7 129.3 101.0 9.4 35.3 21 167 A I E -AB 11 34A 18 13,-2.2 13,-3.2 -2,-0.4 2,-0.6 -0.935 28.5-120.0-128.5 148.1 104.0 7.6 36.8 22 168 A L E +AB 10 33A 1 -12,-2.7 -12,-1.1 -2,-0.3 -13,-1.0 -0.755 46.0 168.3 -85.7 119.6 107.3 8.7 38.2 23 169 A V E -AB 8 32A 3 9,-2.8 9,-2.6 -2,-0.6 2,-0.3 -0.643 29.1-135.5-123.6-178.2 110.1 7.1 36.2 24 170 A R E -AB 7 31A 77 -17,-0.9 -17,-1.4 7,-0.3 7,-0.2 -0.927 22.7-122.1-147.2 115.9 113.8 7.3 35.7 25 171 A E E > -A 6 0A 25 5,-1.9 4,-1.9 -2,-0.3 3,-0.2 -0.295 20.4-145.9 -54.6 134.5 115.7 7.3 32.4 26 172 A K T 4 S+ 0 0 105 -21,-3.0 -1,-0.1 1,-0.2 -20,-0.1 0.895 93.7 45.4 -75.3 -38.7 118.2 4.4 32.4 27 173 A A T 4 S+ 0 0 105 -22,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.499 127.4 30.3 -82.5 -3.2 121.0 6.0 30.4 28 174 A T T 4 S- 0 0 61 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.554 87.6-138.4-128.4 -20.4 120.8 9.2 32.4 29 175 A G < + 0 0 30 -4,-1.9 2,-0.2 1,-0.2 -3,-0.1 0.561 57.3 137.5 69.5 6.2 119.6 8.3 35.9 30 176 A R - 0 0 29 -5,-0.1 -5,-1.9 1,-0.1 2,-0.3 -0.549 53.9-113.9 -87.8 151.7 117.4 11.4 35.8 31 177 A Y E +B 24 0A 32 225,-0.4 41,-0.7 -7,-0.2 2,-0.3 -0.615 36.7 171.7 -88.4 143.4 113.7 11.5 37.1 32 178 A Y E -BC 23 71A 27 -9,-2.6 -9,-2.8 -2,-0.3 2,-0.5 -0.910 32.3-126.9-143.4 168.3 110.7 12.0 34.9 33 179 A A E -BC 22 70A 0 37,-2.5 37,-3.0 -2,-0.3 2,-0.6 -0.980 25.7-156.4-120.7 114.0 106.9 11.9 35.0 34 180 A M E -BC 21 69A 3 -13,-3.2 -13,-2.2 -2,-0.5 2,-0.6 -0.837 0.5-156.9 -97.7 121.2 105.4 9.7 32.2 35 181 A K E -BC 20 68A 12 33,-2.3 33,-2.5 -2,-0.6 2,-0.6 -0.873 10.0-167.5 -97.3 122.3 101.9 10.5 31.2 36 182 A I E -BC 19 67A 14 -17,-3.7 -17,-2.5 -2,-0.6 2,-0.5 -0.939 3.6-162.0-114.2 112.4 100.3 7.4 29.6 37 183 A L E - C 0 66A 53 29,-3.2 29,-1.2 -2,-0.6 2,-0.8 -0.840 22.8-123.8-105.1 127.0 97.0 8.0 27.7 38 184 A R E > - C 0 65A 88 -2,-0.5 4,-1.7 27,-0.2 27,-0.2 -0.452 22.1-156.1 -62.1 100.5 94.5 5.3 26.8 39 185 A K T >4 S+ 0 0 66 25,-1.6 3,-0.5 -2,-0.8 -1,-0.2 0.922 93.1 38.5 -45.8 -55.6 94.2 5.7 23.0 40 186 A E T 34 S+ 0 0 79 24,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.902 103.7 67.7 -66.9 -40.1 90.8 4.1 22.8 41 187 A V T 34 0 0 61 1,-0.1 -1,-0.2 -25,-0.1 -2,-0.2 0.886 360.0 360.0 -45.5 -37.1 89.6 5.7 26.1 42 188 A I << 0 0 111 -4,-1.7 -1,-0.1 -3,-0.5 -5,-0.0 -0.732 360.0 360.0 -83.9 360.0 89.9 8.9 24.0 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 44 203 A V 0 0 106 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-131.9 99.7 19.5 22.6 45 204 A L + 0 0 52 1,-0.0 3,-0.4 11,-0.0 11,-0.3 -0.153 360.0 117.0 87.0 -37.2 102.6 20.4 25.0 46 205 A Q S S+ 0 0 105 -2,-0.2 10,-0.3 1,-0.2 -1,-0.0 0.770 79.6 5.7 -23.8 -92.5 105.0 20.2 22.0 47 206 A N S S+ 0 0 59 8,-0.1 2,-1.2 1,-0.1 -1,-0.2 0.407 92.7 106.7 -90.2 -0.9 106.7 23.6 21.3 48 207 A T + 0 0 28 -3,-0.4 2,-0.4 2,-0.0 -1,-0.1 -0.681 48.4 177.9 -86.0 98.2 105.5 25.9 24.1 49 208 A R + 0 0 148 -2,-1.2 5,-0.1 6,-0.1 -2,-0.0 -0.832 9.3 154.6-106.2 134.6 108.6 26.4 26.3 50 209 A H > - 0 0 20 -2,-0.4 3,-2.5 3,-0.3 53,-0.1 -0.974 49.3-115.8-156.8 138.7 108.9 28.5 29.4 51 210 A P T 3 S+ 0 0 53 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.780 115.6 42.4 -43.4 -35.6 111.0 28.6 32.6 52 211 A F T 3 S+ 0 0 0 47,-0.2 80,-3.6 79,-0.1 2,-0.4 0.311 100.8 80.2-100.6 11.0 108.0 27.9 34.9 53 212 A L B < S-e 132 0B 16 -3,-2.5 2,-0.4 78,-0.2 -3,-0.3 -0.919 88.1-111.6-113.8 140.7 106.3 25.3 32.8 54 213 A T - 0 0 13 78,-2.2 2,-0.1 -2,-0.4 -2,-0.1 -0.592 37.4-132.0 -73.8 129.7 107.4 21.7 32.9 55 214 A A - 0 0 45 -2,-0.4 16,-1.9 -4,-0.1 2,-0.6 -0.390 12.9-114.0 -80.6 157.5 109.0 20.8 29.5 56 215 A L E -D 70 0A 25 -10,-0.3 14,-0.2 -11,-0.3 3,-0.1 -0.833 30.2-177.7 -92.4 119.0 108.2 17.7 27.4 57 216 A K E - 0 0 110 12,-2.1 2,-0.3 -2,-0.6 13,-0.2 0.969 63.6 -1.0 -80.2 -65.5 111.2 15.5 27.2 58 217 A Y E -D 69 0A 47 11,-1.7 11,-1.5 2,-0.0 2,-0.3 -0.870 54.4-164.1-126.0 161.8 110.1 12.6 25.0 59 218 A A E +D 68 0A 59 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.902 23.0 153.4-147.2 111.1 106.9 11.7 23.3 60 219 A F E -D 67 0A 28 7,-1.4 7,-2.9 -2,-0.3 2,-0.3 -0.957 29.1-141.2-137.3 157.9 106.3 8.2 21.9 61 220 A Q E -D 66 0A 132 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.852 10.0-161.2-115.6 153.0 103.3 6.0 21.2 62 221 A T - 0 0 51 3,-2.2 -1,-0.1 -2,-0.3 5,-0.0 0.096 52.7 -71.3-103.4-137.9 103.0 2.2 21.8 63 222 A H S S+ 0 0 176 -2,-0.1 3,-0.0 1,-0.0 -2,-0.0 0.763 127.6 1.4 -92.0 -30.2 100.5 0.0 20.1 64 223 A D S S+ 0 0 47 -25,-0.0 -25,-1.6 -24,-0.0 -24,-0.5 0.208 120.2 74.9-143.1 15.9 97.5 1.4 22.1 65 224 A R E -C 38 0A 77 -27,-0.2 -3,-2.2 -26,-0.1 2,-0.5 -0.898 58.9-144.5-131.3 159.6 99.0 4.1 24.3 66 225 A L E -CD 37 61A 63 -29,-1.2 -29,-3.2 -2,-0.3 2,-0.4 -0.993 24.8-161.8-123.2 118.0 100.3 7.7 24.0 67 226 A C E -CD 36 60A 1 -7,-2.9 -7,-1.4 -2,-0.5 2,-0.5 -0.877 13.1-171.2-111.5 137.9 103.2 8.4 26.4 68 227 A F E -CD 35 59A 49 -33,-2.5 -33,-2.3 -2,-0.4 2,-0.8 -0.894 7.7-161.7-128.3 100.1 104.6 11.8 27.5 69 228 A V E -CD 34 58A 0 -11,-1.5 -12,-2.1 -2,-0.5 -11,-1.7 -0.722 23.5-177.2 -83.5 108.8 107.9 11.8 29.4 70 229 A M E -CD 33 56A 3 -37,-3.0 -37,-2.5 -2,-0.8 -14,-0.2 -0.824 32.7 -98.7-117.7 152.4 108.1 15.1 31.2 71 230 A E E -C 32 0A 37 -16,-1.9 2,-0.5 -2,-0.3 -39,-0.2 -0.370 38.4-152.7 -62.4 135.1 110.6 16.9 33.4 72 231 A Y - 0 0 25 -41,-0.7 -41,-0.1 -2,-0.1 -1,-0.1 -0.944 11.3-126.9-121.4 113.2 109.6 16.6 37.1 73 232 A A - 0 0 9 -2,-0.5 52,-0.2 1,-0.1 51,-0.1 -0.118 8.7-143.9 -54.9 150.8 110.6 19.3 39.7 74 233 A N S S+ 0 0 8 49,-0.1 187,-0.4 179,-0.0 51,-0.2 0.498 71.2 85.4 -98.1 -10.4 112.4 18.3 42.9 75 234 A G S S- 0 0 1 49,-2.7 51,-0.1 1,-0.2 3,-0.1 -0.096 92.2 -87.8 -75.5-171.4 111.0 20.5 45.5 76 235 A G - 0 0 0 49,-0.1 48,-2.0 1,-0.1 2,-0.4 -0.161 54.4 -78.8 -85.0-170.1 107.8 19.4 47.2 77 236 A E B >> -F 123 0B 67 46,-0.2 4,-1.8 184,-0.1 3,-1.2 -0.756 40.5-120.2 -88.9 139.6 104.4 20.2 45.8 78 237 A L H 3> S+ 0 0 0 44,-2.9 4,-1.3 -2,-0.4 45,-0.1 0.680 114.5 61.2 -54.3 -16.3 103.4 23.7 46.7 79 238 A F H 3> S+ 0 0 102 43,-0.4 4,-2.1 40,-0.2 -1,-0.3 0.895 101.8 50.1 -76.9 -40.1 100.5 22.2 48.5 80 239 A F H <> S+ 0 0 77 -3,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.941 112.1 48.6 -59.3 -48.7 102.8 20.4 50.8 81 240 A H H X S+ 0 0 5 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.803 110.7 49.2 -65.7 -29.7 104.7 23.6 51.5 82 241 A L H X S+ 0 0 6 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.842 107.0 57.2 -78.2 -32.6 101.6 25.7 52.2 83 242 A S H >< S+ 0 0 67 -4,-2.1 3,-1.2 2,-0.2 -2,-0.2 0.994 109.5 43.3 -55.6 -71.3 100.2 23.1 54.6 84 243 A R H 3< S+ 0 0 204 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.874 120.7 39.5 -39.3 -61.3 103.3 23.2 56.8 85 244 A E H 3< S- 0 0 105 -4,-1.6 2,-2.2 1,-0.2 -1,-0.3 0.738 93.4-151.6 -66.1 -20.6 103.6 27.0 56.8 86 245 A R S << S+ 0 0 201 -4,-1.8 2,-0.3 -3,-1.2 -1,-0.2 -0.367 74.8 15.6 81.1 -59.1 99.8 27.2 57.0 87 246 A V S S- 0 0 39 -2,-2.2 2,-0.2 -3,-0.1 80,-0.2 -0.996 78.3-129.5-147.2 143.8 100.0 30.6 55.2 88 247 A F - 0 0 12 78,-2.7 2,-0.2 -2,-0.3 81,-0.0 -0.543 31.2-100.7 -92.4 159.4 102.7 32.4 53.2 89 248 A T >> - 0 0 98 -2,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.511 36.3-113.6 -74.2 144.4 103.9 35.9 53.6 90 249 A E H 3> S+ 0 0 46 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.745 120.9 53.7 -51.7 -21.9 102.4 38.3 51.0 91 250 A E H 3> S+ 0 0 113 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.878 106.4 48.9 -79.3 -42.5 106.0 38.5 49.7 92 251 A R H <> S+ 0 0 10 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.849 116.1 44.4 -64.3 -36.0 106.4 34.8 49.3 93 252 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.836 108.0 58.1 -76.0 -36.6 103.0 34.6 47.5 94 253 A R H X S+ 0 0 12 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.900 105.2 52.3 -59.5 -40.3 104.0 37.6 45.4 95 254 A F H X S+ 0 0 16 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.973 114.4 39.6 -59.8 -57.2 107.0 35.7 44.3 96 255 A Y H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.924 115.5 50.6 -59.5 -48.6 105.0 32.6 43.2 97 256 A G H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.800 109.6 54.4 -60.8 -28.5 102.1 34.6 41.7 98 257 A A H X S+ 0 0 1 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.871 107.9 46.7 -74.0 -39.1 104.7 36.6 39.8 99 258 A E H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.927 114.2 48.7 -68.2 -41.2 106.3 33.5 38.2 100 259 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.892 108.3 52.9 -63.3 -43.6 102.9 32.2 37.3 101 260 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.859 107.1 54.7 -60.0 -34.8 101.8 35.5 35.8 102 261 A S H X S+ 0 0 7 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.931 111.5 42.8 -64.0 -46.9 105.0 35.4 33.7 103 262 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.880 111.6 54.5 -67.9 -40.5 104.0 31.9 32.4 104 263 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.833 106.5 52.1 -65.9 -30.7 100.4 33.0 31.8 105 264 A E H X S+ 0 0 77 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.925 109.9 49.2 -69.3 -42.7 101.5 35.9 29.7 106 265 A Y H < S+ 0 0 76 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.946 114.1 44.1 -60.1 -49.6 103.7 33.7 27.6 107 266 A L H ><>S+ 0 0 6 -4,-2.4 5,-2.1 1,-0.2 3,-1.6 0.904 113.0 50.3 -63.0 -44.4 100.9 31.1 27.0 108 267 A H H ><5S+ 0 0 25 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.804 102.8 60.9 -66.2 -28.1 98.2 33.7 26.3 109 268 A S T 3<5S+ 0 0 84 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.419 106.4 49.1 -78.0 2.3 100.5 35.5 23.8 110 269 A R T < 5S- 0 0 101 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.189 124.5-102.2-121.7 10.4 100.4 32.2 21.9 111 270 A D T < 5S+ 0 0 162 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.814 78.2 135.9 70.9 33.7 96.6 31.8 22.0 112 271 A V < - 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0 0 35 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.209 48.5-103.0 -62.6 154.5 89.9 28.4 50.1 172 349 A P T 3 S+ 0 0 12 0, 0.0 19,-0.4 0, 0.0 3,-0.1 0.707 119.2 27.4 -52.7 -25.2 87.3 31.2 49.7 173 350 A F T > S+ 0 0 10 1,-0.1 3,-1.1 17,-0.1 -2,-0.1 -0.214 73.2 132.1-132.2 43.7 84.4 29.0 50.9 174 351 A Y T < S+ 0 0 149 -3,-1.6 -1,-0.1 1,-0.3 4,-0.1 0.746 73.5 61.2 -65.1 -22.9 86.2 26.5 53.2 175 352 A N T 3 S+ 0 0 61 -4,-0.2 -1,-0.3 1,-0.1 2,-0.2 -0.150 95.8 67.2 -96.2 33.7 83.4 27.2 55.7 176 353 A Q S < S- 0 0 38 -3,-1.1 -1,-0.1 0, 0.0 8,-0.1 -0.699 94.1 -94.5-161.9 103.5 80.5 26.1 53.6 177 354 A D > - 0 0 65 -2,-0.2 3,-1.1 1,-0.1 -2,-0.1 0.396 30.8-119.5 -13.0 130.6 79.7 22.5 52.5 178 355 A H G > S+ 0 0 136 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.751 106.9 72.9 -50.2 -33.6 81.0 21.4 49.1 179 356 A E G > S+ 0 0 95 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.931 100.1 43.7 -49.5 -52.0 77.4 20.7 48.0 180 357 A R G <> S+ 0 0 114 -3,-1.1 4,-1.4 1,-0.2 -1,-0.3 0.020 80.8 105.8 -87.7 29.6 76.7 24.4 47.7 181 358 A L H <> S+ 0 0 22 -3,-1.9 4,-2.5 2,-0.2 5,-0.3 0.917 74.6 58.9 -71.8 -43.3 80.0 25.3 46.0 182 359 A F H <> S+ 0 0 102 -3,-0.6 4,-1.2 -4,-0.4 -1,-0.2 0.866 110.3 39.8 -54.0 -44.6 78.2 25.8 42.6 183 360 A E H > S+ 0 0 85 -4,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.858 113.9 54.7 -76.1 -36.2 75.9 28.6 43.9 184 361 A L H X S+ 0 0 10 -4,-1.4 4,-4.3 2,-0.2 -2,-0.2 0.981 108.7 45.2 -59.7 -62.0 78.5 30.3 46.1 185 362 A I H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.898 121.4 42.3 -50.1 -42.1 81.1 30.8 43.3 186 363 A L H < S+ 0 0 28 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.835 136.8 9.1 -76.7 -33.6 78.2 32.0 41.1 187 364 A M H < S+ 0 0 144 -4,-3.1 2,-0.5 -5,-0.1 -3,-0.2 0.314 101.6 95.1-133.4 10.3 76.4 34.2 43.6 188 365 A E < - 0 0 75 -4,-4.3 2,-0.1 -5,-0.2 -1,-0.0 -0.918 66.3-133.1-110.8 122.6 78.4 34.5 46.8 189 366 A E - 0 0 74 -2,-0.5 2,-0.4 1,-0.1 -2,-0.1 -0.445 28.8-118.8 -67.4 142.9 80.6 37.5 47.2 190 367 A I - 0 0 27 18,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.708 25.0-149.1 -90.1 134.4 84.1 36.5 48.5 191 368 A R - 0 0 193 -2,-0.4 -1,-0.0 -19,-0.4 0, 0.0 -0.772 6.1-149.4-103.4 150.8 85.3 37.8 51.9 192 369 A F - 0 0 62 -2,-0.3 9,-0.0 1,-0.1 -28,-0.0 -0.910 21.8-104.0-121.8 145.9 88.9 38.6 52.9 193 370 A P - 0 0 28 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.104 27.6-124.1 -59.2 158.1 90.8 38.5 56.3 194 371 A R S S+ 0 0 89 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.933 105.9 61.2 -72.6 -43.4 91.5 41.7 58.1 195 372 A T S S+ 0 0 139 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.775 79.9 108.7 -53.7 -29.9 95.3 41.2 58.4 196 373 A L S S- 0 0 10 -3,-0.2 -4,-0.0 1,-0.1 -28,-0.0 -0.152 79.0-107.7 -49.2 137.8 95.6 41.1 54.6 197 374 A S > - 0 0 16 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.180 22.4-112.8 -67.9 163.7 97.2 44.3 53.2 198 375 A P H > S+ 0 0 112 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.861 120.2 48.1 -64.4 -34.8 95.2 46.9 51.3 199 376 A E H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.1 32,-0.3 0.864 109.2 53.8 -72.3 -39.4 97.1 46.0 48.1 200 377 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.949 106.9 48.9 -62.3 -50.0 96.5 42.2 48.6 201 378 A K H X S+ 0 0 71 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.838 110.0 54.9 -58.3 -33.1 92.7 42.5 49.0 202 379 A S H X S+ 0 0 63 -4,-1.0 4,-1.6 -5,-0.2 -1,-0.2 0.875 106.8 49.0 -69.5 -37.8 92.7 44.6 45.8 203 380 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.3 5,-0.2 0.954 115.8 42.6 -64.6 -52.4 94.5 41.9 43.8 204 381 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.850 109.7 57.3 -63.9 -38.0 92.2 39.2 44.9 205 382 A A H < S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.912 113.6 39.9 -61.4 -39.9 89.1 41.3 44.5 206 383 A G H >< S+ 0 0 3 -4,-1.6 10,-3.3 1,-0.2 3,-0.7 0.811 116.0 48.7 -79.7 -32.4 90.0 41.9 40.9 207 384 A L H 3< S+ 0 0 0 -4,-2.2 -47,-0.3 8,-0.2 -1,-0.2 0.715 113.1 48.7 -79.4 -21.9 91.2 38.4 40.1 208 385 A L T 3< S+ 0 0 10 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 0.076 76.9 134.9-106.9 24.1 88.2 36.8 41.6 209 386 A K < - 0 0 92 -3,-0.7 6,-0.2 1,-0.1 5,-0.1 -0.589 53.4-139.9 -75.1 127.9 85.5 38.9 39.9 210 387 A K S S+ 0 0 58 -2,-0.4 -67,-0.3 1,-0.1 -1,-0.1 0.838 86.2 73.1 -57.7 -37.6 82.7 36.8 38.6 211 388 A D S >> S- 0 0 62 1,-0.2 4,-2.5 -69,-0.1 3,-1.8 -0.716 74.6-150.7 -85.6 108.3 82.3 38.7 35.3 212 389 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.768 95.9 55.0 -48.5 -32.2 85.3 37.8 33.1 213 390 A K T 34 S+ 0 0 148 1,-0.2 4,-0.1 -3,-0.0 -3,-0.0 0.805 112.7 43.2 -74.4 -25.5 85.2 41.1 31.3 214 391 A Q T <4 S+ 0 0 123 -3,-1.8 -1,-0.2 2,-0.1 5,-0.1 0.905 94.3 104.0 -81.1 -44.1 85.4 42.9 34.7 215 392 A R S >< S- 0 0 0 -4,-2.5 3,-1.5 -6,-0.2 2,-0.3 0.170 84.9 -97.3 -39.4 149.5 88.1 40.6 36.1 216 393 A L T 3 S+ 0 0 20 -10,-3.3 -1,-0.1 1,-0.3 -2,-0.1 -0.552 117.5 22.4 -70.4 132.8 91.7 41.6 36.4 217 394 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.3 5,-0.2 5,-0.1 0.155 100.8 100.0 91.7 -19.8 93.5 40.3 33.4 218 395 A G < + 0 0 13 -3,-1.5 -2,-0.2 -4,-0.1 -3,-0.1 0.507 58.7 92.6 -77.3 -6.9 90.2 40.1 31.7 219 396 A G S > S- 0 0 11 3,-0.3 3,-1.4 -4,-0.2 6,-0.1 -0.288 95.9 -96.4 -78.1 174.7 90.7 43.3 29.7 220 397 A P T 3 S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.796 121.5 61.7 -63.8 -30.6 92.2 43.3 26.1 221 398 A S T > S- 0 0 58 1,-0.2 3,-2.1 2,-0.1 4,-0.2 0.215 88.4-168.2 -82.7 16.6 95.7 44.1 27.3 222 399 A D T X> + 0 0 20 -3,-1.4 3,-1.0 1,-0.3 4,-0.6 -0.007 65.3 16.5 38.2-113.5 95.6 40.8 29.3 223 400 A A H 3> S+ 0 0 2 1,-0.2 4,-3.5 2,-0.2 -1,-0.3 0.634 109.7 77.8 -62.5 -19.8 98.5 40.4 31.7 224 401 A K H <> S+ 0 0 100 -3,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.898 92.8 53.6 -58.5 -40.8 99.5 44.1 31.7 225 402 A E H <4 S+ 0 0 62 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.905 114.6 40.4 -58.2 -45.2 96.6 44.8 34.0 226 403 A V H >< S+ 0 0 0 -4,-0.6 3,-1.2 1,-0.2 6,-0.2 0.935 115.5 50.6 -70.1 -48.4 97.8 42.1 36.5 227 404 A M H 3< S+ 0 0 18 -4,-3.5 -2,-0.2 1,-0.3 2,-0.2 0.891 111.7 47.4 -57.4 -44.5 101.5 43.0 36.1 228 405 A E T 3< S+ 0 0 143 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.3 -0.153 83.1 123.9 -93.3 39.5 100.9 46.8 36.7 229 406 A H S X S- 0 0 29 -3,-1.2 3,-1.9 -2,-0.2 -3,-0.1 -0.753 75.4-115.6 -95.6 148.5 98.7 46.2 39.8 230 407 A R G > S+ 0 0 58 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.828 114.5 65.2 -53.2 -32.0 99.8 48.0 42.9 231 408 A F G 3 S+ 0 0 1 -32,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.812 103.1 47.3 -61.0 -30.7 100.3 44.6 44.5 232 409 A F G X S+ 0 0 5 -3,-1.9 3,-0.8 -6,-0.2 -1,-0.3 -0.138 74.2 117.3-104.7 39.7 103.1 43.9 42.0 233 410 A L T < S+ 0 0 151 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.892 73.6 53.4 -71.5 -39.5 105.0 47.2 42.3 234 411 A S T 3 S+ 0 0 78 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.2 0.403 88.2 109.3 -77.1 3.3 108.2 45.6 43.6 235 412 A I < - 0 0 23 -3,-0.8 2,-0.8 -8,-0.2 3,-0.1 -0.678 55.5-155.4 -93.7 139.5 108.4 43.1 40.8 236 413 A N >> - 0 0 91 -2,-0.4 4,-1.9 1,-0.1 3,-1.2 -0.892 12.2-167.5-104.9 93.9 111.0 43.2 38.0 237 414 A W H 3> S+ 0 0 58 -2,-0.8 4,-1.5 1,-0.3 -1,-0.1 0.807 87.1 50.7 -57.2 -35.1 109.2 41.4 35.2 238 415 A Q H 34 S+ 0 0 154 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.720 111.7 52.9 -74.5 -19.5 112.2 41.0 33.0 239 416 A D H <>>S+ 0 0 0 -3,-1.2 5,-2.5 2,-0.2 4,-0.9 0.881 103.5 51.7 -82.2 -44.4 113.9 39.6 36.1 240 417 A V H ><5S+ 0 0 3 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.940 108.5 52.5 -60.5 -46.1 111.4 36.9 37.1 241 418 A V T 3<5S+ 0 0 48 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.763 111.2 46.9 -61.9 -25.3 111.5 35.5 33.6 242 419 A Q T 345S- 0 0 135 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.586 112.8-121.8 -88.9 -13.6 115.4 35.3 33.8 243 420 A K T <<5 + 0 0 91 -3,-1.1 -3,-0.2 -4,-0.9 -2,-0.1 0.906 68.2 138.7 70.6 44.0 115.1 33.7 37.2 244 421 A K < + 0 0 131 -5,-2.5 -4,-0.2 2,-0.1 -5,-0.1 0.729 40.5 93.4 -87.8 -28.6 117.2 36.5 38.8 245 422 A L S S- 0 0 44 -6,-0.4 0, 0.0 -9,-0.1 0, 0.0 -0.338 83.6-115.5 -66.6 146.2 115.0 36.8 41.9 246 423 A L - 0 0 150 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.748 34.6-112.0 -85.7 122.6 116.1 34.8 44.9 247 424 A P - 0 0 17 0, 0.0 -118,-0.1 0, 0.0 -1,-0.1 -0.287 18.4-133.4 -54.1 137.0 113.5 32.1 45.8 248 425 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -156,-0.1 0.491 91.2 29.6 -72.0 -1.2 111.8 33.0 49.1 249 426 A F S S- 0 0 54 -122,-0.2 3,-0.1 -121,-0.2 0, 0.0 -0.944 73.3-140.9-159.1 133.1 112.3 29.4 50.2 250 427 A K - 0 0 116 -2,-0.3 -122,-0.1 1,-0.1 -123,-0.1 -0.866 15.5-141.1-104.8 110.7 114.8 26.8 49.4 251 428 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -124,-0.1 0.729 34.3-124.3 -29.9 -47.2 113.3 23.3 49.0 252 429 A Q + 0 0 54 -126,-0.4 2,-0.3 1,-0.3 -125,-0.1 0.894 59.8 136.9 91.0 54.9 116.3 21.7 50.7 253 430 A V - 0 0 17 -127,-0.4 -1,-0.3 1,-0.1 3,-0.1 -0.976 50.1-141.2-129.4 142.0 117.4 19.1 48.1 254 431 A T S S- 0 0 128 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.907 73.6 -26.4 -73.6 -42.0 121.0 18.4 47.1 255 432 A S S > S- 0 0 53 -181,-0.1 2,-1.1 -129,-0.0 3,-0.9 -0.859 78.3 -73.3-154.5-171.0 120.6 18.0 43.3 256 433 A E T 3 S+ 0 0 156 -2,-0.3 -225,-0.4 1,-0.2 3,-0.1 -0.437 127.4 45.2 -95.7 59.9 118.1 17.0 40.7 257 434 A V T 3 S+ 0 0 68 -2,-1.1 2,-2.8 -227,-0.1 -1,-0.2 0.115 70.4 124.4-171.5 -9.8 118.3 13.3 41.5 258 435 A D < - 0 0 54 -3,-0.9 2,-0.5 1,-0.2 3,-0.4 -0.423 52.9-157.9 -64.9 78.5 118.0 13.7 45.3 259 436 A T > + 0 0 62 -2,-2.8 3,-1.1 1,-0.2 4,-0.3 0.393 56.6 114.0 -46.2 4.5 115.0 11.3 45.3 260 437 A R G > + 0 0 137 -2,-0.5 3,-3.4 1,-0.2 -1,-0.2 0.909 65.6 46.9 -41.5 -89.9 113.9 12.8 48.6 261 438 A Y G 3 S+ 0 0 34 -187,-0.4 -1,-0.2 -3,-0.4 -184,-0.1 0.454 93.4 78.0 -38.4 -9.8 110.6 14.7 48.0 262 439 A F G < 0 0 14 -3,-1.1 -1,-0.3 -186,-0.1 -2,-0.2 0.710 360.0 360.0 -74.8 -16.1 109.2 11.8 46.1 263 440 A D < 0 0 133 -3,-3.4 -2,-0.2 -4,-0.3 -3,-0.1 0.826 360.0 360.0 93.4 360.0 108.7 10.4 49.6