==== 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 28-JUN-11 3SMS . COMPND 2 MOLECULE: PANTOTHENATE KINASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.MOTTAGHI,W.TEMPEL,B.HONG,D.SMIL,Y.BOLSHAN,A.K.WERNIMONT, . 351 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 33 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 1 2 0 1 2 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 3 1 2 0 3 0 0 1 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 . 1 0 0 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 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 11 A F 0 0 108 0, 0.0 2,-0.2 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 162.7 30.7 33.1 18.4 2 12 A P - 0 0 11 0, 0.0 2,-0.7 0, 0.0 92,-0.2 -0.579 360.0-114.4 -85.8 148.9 30.1 29.3 18.3 3 13 A W E +A 18 0A 57 15,-0.6 15,-2.1 -2,-0.2 2,-0.3 -0.721 44.2 164.4 -91.1 114.5 32.5 26.9 16.7 4 14 A F E -A 17 0A 24 -2,-0.7 92,-0.8 90,-0.4 2,-0.4 -0.943 26.1-168.5-124.2 146.0 31.1 25.1 13.6 5 15 A G E -Ab 16 96A 0 11,-2.2 11,-2.6 -2,-0.3 2,-0.5 -0.997 19.8-167.1-123.9 134.9 32.5 23.1 10.8 6 16 A M E -Ab 15 97A 0 90,-2.2 92,-2.6 -2,-0.4 2,-0.6 -0.979 15.4-168.0-128.0 129.0 30.0 22.4 8.0 7 17 A D E -Ab 14 98A 18 7,-3.0 7,-2.4 -2,-0.5 2,-1.1 -0.929 9.1-164.5-114.4 105.5 30.2 20.0 5.1 8 18 A I E +A 13 0A 0 90,-2.4 93,-2.6 -2,-0.6 94,-0.4 -0.753 21.2 178.6 -93.8 95.6 27.4 20.7 2.6 9 19 A G - 0 0 17 3,-2.0 70,-0.0 -2,-1.1 -2,-0.0 -0.220 45.7 -91.9 -91.1-177.8 27.3 17.5 0.4 10 20 A G S S+ 0 0 70 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 0.716 121.2 10.5 -68.3 -23.2 25.2 16.5 -2.5 11 21 A T S S+ 0 0 80 1,-0.3 68,-2.5 68,-0.1 69,-0.5 0.703 127.5 30.4-117.7 -47.3 22.7 14.7 -0.2 12 22 A L E - C 0 78A 39 66,-0.3 -3,-2.0 67,-0.1 2,-0.5 -0.855 60.1-136.3-122.8 147.7 23.4 15.6 3.5 13 23 A V E -AC 8 77A 0 64,-4.0 64,-1.8 -2,-0.3 2,-0.4 -0.883 21.5-158.5 -95.2 130.6 24.8 18.5 5.5 14 24 A K E -AC 7 76A 22 -7,-2.4 -7,-3.0 -2,-0.5 2,-0.4 -0.950 9.3-171.8-111.0 135.4 27.2 17.4 8.2 15 25 A L E -AC 6 75A 3 60,-3.4 60,-2.9 -2,-0.4 2,-0.4 -0.998 9.4-167.5-133.3 121.3 27.7 19.8 11.1 16 26 A S E -AC 5 74A 0 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.4 -0.961 12.7-171.9-106.7 133.0 30.3 19.5 13.8 17 27 A Y E -AC 4 73A 4 56,-1.7 56,-3.1 -2,-0.4 2,-0.8 -0.985 17.6-143.1-129.7 133.8 29.9 21.8 16.8 18 28 A F E -AC 3 72A 3 -15,-2.1 -15,-0.6 -2,-0.4 54,-0.2 -0.874 12.9-160.8-100.0 109.0 32.2 22.4 19.7 19 29 A E E - C 0 71A 37 52,-2.6 52,-2.2 -2,-0.8 2,-0.1 -0.822 18.2-134.9 -84.4 110.0 30.3 22.9 22.9 20 30 A P E + C 0 70A 45 0, 0.0 50,-0.3 0, 0.0 3,-0.1 -0.450 26.3 176.9 -66.8 136.0 32.7 24.7 25.5 21 31 A I + 0 0 74 48,-2.1 49,-0.2 -2,-0.1 -2,-0.0 0.340 68.4 68.7-117.9 4.8 32.6 23.2 29.0 22 32 A D + 0 0 52 47,-0.9 2,-0.3 2,-0.0 -1,-0.1 -0.064 63.0 153.5-110.9 34.1 35.3 25.3 30.7 23 33 A I - 0 0 70 -3,-0.1 2,-0.1 4,-0.1 5,-0.0 -0.458 33.8-144.6 -71.6 123.3 33.5 28.6 30.7 24 34 A T >> - 0 0 82 -2,-0.3 4,-1.4 1,-0.1 3,-0.6 -0.291 26.7-103.7 -74.4 169.9 34.7 30.9 33.6 25 35 A A H 3> S+ 0 0 91 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.926 123.6 52.2 -59.3 -47.1 32.3 33.2 35.5 26 36 A E H 3> S+ 0 0 84 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.615 110.5 51.0 -66.6 -13.7 33.7 36.3 33.7 27 37 A E H <> S+ 0 0 73 -3,-0.6 4,-0.8 2,-0.1 -1,-0.2 0.735 101.1 59.1 -93.1 -28.9 33.0 34.4 30.4 28 38 A E H < S+ 0 0 52 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.1 0.864 111.1 41.6 -70.2 -37.3 29.3 33.5 31.2 29 39 A Q H < S+ 0 0 82 -4,-1.4 -2,-0.1 1,-0.2 -3,-0.1 0.990 110.9 54.9 -64.3 -69.5 28.3 37.2 31.6 30 40 A E H < S+ 0 0 82 -4,-0.8 2,-0.3 -5,-0.1 -2,-0.2 0.612 88.3 99.6 -38.2 -23.2 30.4 38.5 28.6 31 41 A E S < S- 0 0 29 -4,-0.8 2,-0.1 1,-0.1 -4,-0.0 -0.579 78.0-128.1 -68.3 128.5 28.5 35.8 26.5 32 42 A V >> - 0 0 96 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.431 17.7-113.2 -81.5 156.5 25.6 37.6 24.6 33 43 A E H 3> S+ 0 0 151 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.854 115.9 57.7 -59.9 -35.2 22.0 36.2 24.8 34 44 A S H 3> S+ 0 0 88 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.860 108.9 45.0 -60.5 -41.6 22.1 35.2 21.1 35 45 A L H <> S+ 0 0 48 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.931 112.1 51.5 -68.3 -46.3 25.1 33.0 21.7 36 46 A K H X S+ 0 0 57 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.827 109.3 51.6 -57.3 -33.7 23.6 31.5 24.9 37 47 A S H X S+ 0 0 73 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.877 110.6 46.5 -78.7 -35.7 20.4 30.6 23.0 38 48 A I H X S+ 0 0 67 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.891 113.4 49.8 -64.8 -47.8 22.2 28.8 20.1 39 49 A R H X S+ 0 0 75 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.959 115.1 43.7 -53.9 -52.1 24.4 26.9 22.6 40 50 A K H X S+ 0 0 59 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.887 112.7 51.5 -67.2 -37.4 21.3 25.9 24.6 41 51 A Y H X S+ 0 0 85 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.936 112.3 46.8 -62.5 -46.5 19.2 25.0 21.5 42 52 A L H < S+ 0 0 15 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.889 119.4 37.7 -61.4 -44.3 21.9 22.8 20.1 43 53 A T H < S+ 0 0 40 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.555 113.6 54.0 -90.4 -14.5 22.7 20.9 23.4 44 54 A S H < S+ 0 0 83 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.2 0.445 106.8 54.8 -97.0 -8.0 19.1 20.6 24.7 45 55 A N < - 0 0 64 -4,-0.7 3,-0.1 -3,-0.3 -1,-0.1 -0.983 48.0-174.5-128.1 144.0 17.6 19.0 21.6 46 56 A V S S+ 0 0 81 -2,-0.4 8,-2.6 1,-0.2 2,-0.4 0.404 84.8 53.8-107.0 -10.6 18.6 15.9 19.6 47 57 A A E S-D 53 0A 62 6,-0.2 2,-0.5 0, 0.0 6,-0.2 -0.998 71.5-163.3-121.0 129.8 16.0 16.6 16.9 48 58 A Y E >> -D 52 0A 21 4,-2.0 4,-2.3 -2,-0.4 3,-0.5 -0.965 60.1 -39.1-115.5 123.6 16.1 20.0 15.2 49 59 A G T 34 S- 0 0 55 -2,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.321 108.1 -47.8 56.4-145.4 13.0 21.1 13.2 50 60 A S T 34 S+ 0 0 132 1,-0.1 -1,-0.2 -3,-0.1 0, 0.0 0.722 138.1 24.3 -94.6 -20.1 11.6 18.1 11.3 51 61 A T T <4 S+ 0 0 63 -3,-0.5 2,-0.3 30,-0.1 -2,-0.2 0.431 88.5 108.0-126.0 -6.9 14.7 16.6 9.7 52 62 A G E < -D 48 0A 7 -4,-2.3 -4,-2.0 25,-0.1 2,-0.4 -0.630 46.0-171.6 -75.9 135.1 17.8 17.7 11.8 53 63 A I E -DE 47 76A 68 23,-2.6 23,-2.4 -2,-0.3 2,-0.6 -0.993 17.6-153.2-132.4 129.5 19.4 14.9 13.8 54 64 A R E - E 0 75A 26 -8,-2.6 2,-1.7 -2,-0.4 21,-0.2 -0.895 16.7-142.0 -98.0 124.4 22.1 15.0 16.5 55 65 A D > + 0 0 12 19,-2.7 3,-2.1 -2,-0.6 4,-0.4 -0.578 25.2 176.6 -87.0 80.0 24.1 11.7 16.6 56 66 A V G > S+ 0 0 71 -2,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.829 72.8 65.1 -52.1 -39.9 24.5 11.7 20.4 57 67 A H G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.691 101.0 51.8 -63.5 -17.6 26.2 8.3 20.4 58 68 A L G < S+ 0 0 3 -3,-2.1 -1,-0.3 16,-0.1 -2,-0.2 0.490 78.6 131.7 -95.6 -5.8 29.2 9.8 18.4 59 69 A E < - 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0 0 43 -12,-1.6 2,-0.3 -2,-1.0 -1,-0.2 0.906 57.2 -46.1 -69.7 -40.0 43.4 8.2 -7.7 193 209 A T E -M 180 0C 53 -13,-1.3 -13,-2.9 -3,-0.1 2,-0.3 -0.921 53.3-152.7-169.6-173.5 39.9 7.8 -9.2 194 210 A G E -M 179 0C 21 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.940 8.9-135.9-162.3 176.2 36.2 7.8 -8.3 195 211 A T E -M 178 0C 26 -17,-1.6 -17,-2.5 -2,-0.3 -2,-0.0 -0.988 11.4-148.5-144.6 140.0 32.9 6.4 -9.4 196 212 A S S S+ 0 0 97 -2,-0.3 2,-1.6 -19,-0.2 5,-0.2 0.555 82.8 92.3 -79.5 -7.2 29.5 8.0 -9.8 197 213 A L + 0 0 72 3,-0.1 -1,-0.1 -19,-0.1 2,-0.1 -0.625 66.5 118.8 -89.7 84.0 27.9 4.6 -8.8 198 214 A G S >> S- 0 0 0 -2,-1.6 4,-2.0 -22,-0.5 3,-1.0 -0.283 79.5 -45.5-126.7-154.9 27.6 5.5 -5.1 199 215 A G H 3> S+ 0 0 14 -24,-2.5 4,-1.9 1,-0.3 -23,-0.3 0.797 130.5 55.1 -54.4 -36.5 25.1 5.9 -2.3 200 216 A G H 3> S+ 0 0 35 -24,-1.9 4,-2.2 -25,-0.4 -1,-0.3 0.795 106.5 51.3 -68.4 -29.2 22.8 8.0 -4.5 201 217 A T H <> S+ 0 0 36 -3,-1.0 4,-2.6 -25,-0.5 5,-0.4 0.887 107.4 54.0 -74.1 -41.6 22.7 5.3 -7.0 202 218 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.969 118.4 32.4 -55.8 -54.9 21.8 2.7 -4.4 203 219 A L H X S+ 0 0 43 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.866 117.0 56.7 -78.2 -34.6 18.8 4.7 -3.0 204 220 A G H X S+ 0 0 36 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.960 114.1 38.5 -56.2 -54.9 17.9 6.2 -6.4 205 221 A L H X S+ 0 0 70 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.920 116.3 53.0 -64.9 -42.9 17.6 2.8 -8.1 206 222 A C H X>S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.4 6,-0.6 0.918 108.3 49.0 -55.8 -49.2 16.0 1.2 -5.0 207 223 A S H X5S+ 0 0 42 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.926 114.9 45.4 -58.1 -46.1 13.3 3.8 -4.7 208 224 A L H <5S+ 0 0 149 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.873 119.4 41.3 -65.5 -38.2 12.5 3.4 -8.4 209 225 A L H <5S+ 0 0 72 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.813 131.8 18.0 -81.2 -28.2 12.5 -0.4 -8.2 210 226 A T H <5S- 0 0 8 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.584 93.0-116.0-123.5 -19.3 10.7 -0.9 -4.9 211 227 A G << + 0 0 50 -4,-2.0 -4,-0.2 -5,-0.5 -3,-0.1 0.500 59.0 154.4 84.7 3.7 8.8 2.2 -3.9 212 228 A C - 0 0 3 -6,-0.6 -1,-0.3 1,-0.1 -2,-0.1 -0.376 31.0-160.5 -60.8 146.9 10.9 2.7 -0.8 213 229 A E + 0 0 177 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.192 63.2 35.3-120.3 14.1 11.0 6.4 0.3 214 230 A S S > S- 0 0 44 1,-0.1 4,-1.9 -11,-0.1 3,-0.1 -0.980 78.1-110.3-160.0 156.7 14.2 6.5 2.6 215 231 A F H > S+ 0 0 32 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.898 117.0 51.9 -48.9 -48.0 17.7 5.1 3.0 216 232 A E H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.839 108.2 49.0 -67.1 -39.2 16.6 3.1 6.1 217 233 A E H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.846 108.2 56.0 -67.1 -35.4 13.6 1.5 4.4 218 234 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.947 108.9 46.3 -62.4 -44.6 15.9 0.5 1.5 219 235 A L H X S+ 0 0 19 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.894 110.6 53.7 -63.9 -39.4 18.2 -1.3 3.9 220 236 A E H X S+ 0 0 102 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.919 110.7 44.7 -62.4 -48.4 15.3 -3.0 5.6 221 237 A M H >< S+ 0 0 23 -4,-2.5 3,-1.5 1,-0.2 4,-0.4 0.950 112.6 53.9 -54.7 -51.5 13.9 -4.4 2.3 222 238 A A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.881 99.5 60.7 -51.4 -43.5 17.4 -5.4 1.4 223 239 A S H 3< S+ 0 0 61 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.728 108.6 44.8 -58.4 -24.6 17.9 -7.4 4.6 224 240 A K T << S+ 0 0 136 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.419 101.2 94.9 -97.3 -1.9 14.9 -9.6 3.6 225 241 A G < - 0 0 11 -3,-1.8 2,-0.5 -4,-0.4 47,-0.2 -0.469 62.9-142.5-100.1 161.9 16.1 -10.1 -0.0 226 242 A D > - 0 0 68 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.959 8.8-163.8-121.8 105.2 18.1 -12.7 -2.0 227 243 A S G >> S+ 0 0 18 -2,-0.5 4,-2.4 1,-0.3 3,-0.7 0.711 83.7 72.1 -66.0 -21.0 20.2 -11.0 -4.6 228 244 A T G 34 S+ 0 0 48 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.653 86.4 66.5 -71.1 -13.5 20.8 -14.3 -6.5 229 245 A Q G <4 S+ 0 0 63 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.853 114.2 28.7 -68.8 -35.4 17.1 -14.1 -7.7 230 246 A A T <4 S+ 0 0 0 -3,-0.7 28,-2.0 -4,-0.4 29,-0.6 0.853 111.5 77.4 -89.4 -37.8 18.0 -11.0 -9.8 231 247 A D S < S- 0 0 0 -4,-2.4 2,-0.6 25,-0.2 24,-0.2 -0.482 72.3-135.3 -84.7 140.9 21.6 -11.7 -10.5 232 248 A K E -O 254 0D 39 22,-2.6 22,-2.5 -2,-0.2 21,-2.1 -0.842 30.4-151.1 -93.7 122.9 22.9 -14.1 -13.1 233 249 A L E >> -O 252 0D 4 -2,-0.6 3,-1.0 19,-0.3 4,-1.0 -0.495 26.8-109.4 -97.3 164.4 25.7 -16.1 -11.5 234 250 A V H >> S+ 0 0 9 17,-3.0 4,-2.9 14,-0.3 3,-1.0 0.907 121.6 56.1 -56.0 -41.5 28.8 -17.8 -13.0 235 251 A R H 3> S+ 0 0 121 14,-2.8 4,-1.4 16,-0.3 -1,-0.3 0.750 98.7 61.0 -64.3 -23.5 27.2 -21.1 -12.3 236 252 A D H <4 S+ 0 0 84 -3,-1.0 -1,-0.2 13,-0.3 -2,-0.2 0.789 116.4 32.7 -68.5 -26.6 24.1 -20.0 -14.3 237 253 A I H << S+ 0 0 105 -3,-1.0 -2,-0.2 -4,-1.0 -1,-0.1 0.835 133.7 26.9 -94.0 -41.7 26.5 -19.7 -17.3 238 254 A Y H < S- 0 0 119 -4,-2.9 -3,-0.2 2,-0.4 -2,-0.1 0.735 93.4-124.1 -97.9 -26.2 29.0 -22.5 -16.6 239 255 A G S < S- 0 0 73 -4,-1.4 2,-0.3 -5,-0.4 -4,-0.2 0.647 90.3 -2.8 81.2 19.5 27.0 -25.0 -14.5 240 256 A G S S- 0 0 27 -6,-0.3 -2,-0.4 9,-0.1 -1,-0.3 -0.967 115.4 -13.7 160.9-156.2 29.8 -24.6 -11.9 241 257 A D - 0 0 89 -2,-0.3 2,-0.9 -3,-0.1 3,-0.1 -0.429 48.2-132.9 -72.0 150.1 33.1 -22.8 -11.5 242 258 A Y B > -P 247 0E 73 5,-2.9 5,-2.2 1,-0.2 3,-0.4 -0.872 36.3-175.3 -95.3 89.7 34.9 -21.2 -14.4 243 259 A E T > 5 + 0 0 162 -2,-0.9 3,-2.5 1,-0.2 -1,-0.2 0.891 64.6 65.3 -60.0 -50.4 38.1 -22.8 -13.2 244 260 A R T 3 5S+ 0 0 196 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.855 114.9 29.9 -47.7 -45.4 40.7 -21.4 -15.6 245 261 A F T 3 5S- 0 0 132 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.163 112.9-110.7-107.8 22.9 40.3 -17.8 -14.3 246 262 A G T < 5 + 0 0 46 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.841 63.2 149.1 61.7 38.7 39.3 -18.7 -10.7 247 263 A L B < -P 242 0E 62 -5,-2.2 -5,-2.9 4,-0.0 -1,-0.2 -0.902 38.5-143.9-107.2 105.8 35.7 -17.5 -10.9 248 264 A P > - 0 0 13 0, 0.0 3,-1.8 0, 0.0 -14,-0.3 -0.331 23.5-110.0 -68.0 154.5 33.7 -19.7 -8.5 249 265 A G T 3 S+ 0 0 5 1,-0.3 -14,-2.8 -15,-0.2 -13,-0.3 0.773 115.9 58.6 -57.1 -29.8 30.2 -20.7 -9.5 250 266 A W T 3 S+ 0 0 107 -16,-0.2 -1,-0.3 -17,-0.1 3,-0.1 0.654 81.4 104.8 -76.8 -17.6 28.7 -18.4 -6.8 251 267 A A S < S- 0 0 8 -3,-1.8 -17,-3.0 1,-0.1 2,-0.4 -0.323 83.2-102.4 -63.3 146.9 30.3 -15.2 -8.1 252 268 A V E +O 233 0D 52 -19,-0.2 -19,-0.3 1,-0.2 3,-0.2 -0.578 36.2 179.7 -71.2 122.2 28.0 -12.7 -9.9 253 269 A A E S+ 0 0 47 -21,-2.1 2,-0.4 -2,-0.4 -20,-0.2 0.859 77.3 11.4 -84.9 -47.9 28.5 -13.0 -13.7 254 270 A S E > S-O 232 0D 53 -22,-2.5 -22,-2.6 0, 0.0 3,-2.1 -0.943 78.7-131.2-139.8 111.4 25.9 -10.3 -14.6 255 271 A S T 3 S- 0 0 56 -2,-0.4 -24,-0.1 1,-0.3 22,-0.0 -0.454 96.7 -2.7 -65.4 130.8 24.3 -8.0 -12.0 256 272 A F T > S+ 0 0 48 -29,-0.2 3,-2.1 -2,-0.1 -1,-0.3 0.568 96.3 137.9 61.4 13.0 20.5 -8.0 -12.5 257 273 A G G X + 0 0 6 -3,-2.1 3,-1.0 1,-0.3 -26,-0.2 0.755 59.4 59.4 -68.5 -24.3 21.2 -10.3 -15.5 258 274 A N G > S+ 0 0 19 -28,-2.0 3,-1.3 -4,-0.3 -1,-0.3 0.589 86.6 81.5 -74.7 -5.7 18.3 -12.7 -14.8 259 275 A M G < + 0 0 26 -3,-2.1 -1,-0.2 -29,-0.6 -2,-0.2 0.420 69.8 79.4 -83.1 7.9 16.0 -9.7 -15.1 260 276 A I G < S+ 0 0 112 -3,-1.0 2,-0.5 -4,-0.1 -1,-0.2 0.558 80.7 80.7 -80.6 -11.7 16.1 -10.0 -19.0 261 277 A Y S <> S- 0 0 93 -3,-1.3 4,-2.3 1,-0.1 3,-0.5 -0.868 73.6-147.1-102.5 126.1 13.6 -12.9 -18.7 262 278 A K H > S+ 0 0 107 -2,-0.5 4,-1.8 1,-0.2 5,-0.2 0.921 99.5 54.9 -54.3 -50.1 9.9 -12.0 -18.2 263 279 A E H > S+ 0 0 135 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.836 110.7 46.4 -49.6 -41.0 9.2 -15.1 -16.1 264 280 A K H >> S+ 0 0 51 -3,-0.5 4,-1.4 -6,-0.2 3,-0.6 0.898 108.4 53.8 -74.8 -42.4 12.0 -14.0 -13.7 265 281 A R H 3< S+ 0 0 126 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.796 108.8 52.1 -59.6 -29.7 10.9 -10.4 -13.5 266 282 A E H 3< S+ 0 0 148 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.735 112.9 42.6 -79.2 -21.5 7.4 -11.7 -12.5 267 283 A S H << S+ 0 0 76 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.588 90.9 102.7-100.0 -11.7 8.7 -13.9 -9.7 268 284 A V < - 0 0 25 -4,-1.4 2,-0.2 -5,-0.1 3,-0.0 -0.452 63.3-137.4 -77.5 145.8 11.3 -11.5 -8.2 269 285 A S > - 0 0 36 -2,-0.1 4,-2.0 -43,-0.1 5,-0.2 -0.592 19.7-118.4 -98.8 158.3 10.4 -9.6 -5.0 270 286 A K H > S+ 0 0 114 2,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.915 119.2 54.1 -54.9 -45.8 11.0 -5.9 -4.1 271 287 A E H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 -46,-0.4 0.938 106.8 50.9 -57.2 -46.8 13.2 -7.2 -1.2 272 288 A D H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 112.4 46.5 -56.0 -44.8 15.2 -9.3 -3.8 273 289 A L H X S+ 0 0 22 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.859 110.2 52.6 -69.1 -36.9 15.7 -6.2 -6.0 274 290 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.961 112.6 45.4 -62.4 -46.9 16.7 -4.0 -3.0 275 291 A R H X S+ 0 0 63 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.892 111.6 51.7 -63.4 -40.0 19.3 -6.5 -2.0 276 292 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.860 108.9 51.6 -64.2 -36.3 20.6 -6.9 -5.6 277 293 A T H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.960 113.0 44.9 -64.2 -47.9 20.9 -3.1 -5.8 278 294 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.941 115.4 46.6 -58.2 -52.6 22.9 -3.1 -2.5 279 295 A V H X S+ 0 0 15 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.900 113.7 49.3 -57.5 -42.5 25.1 -6.0 -3.6 280 296 A T H X S+ 0 0 28 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.933 114.8 41.9 -68.6 -47.2 25.7 -4.5 -7.0 281 297 A I H X S+ 0 0 4 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.920 118.2 46.7 -64.4 -44.8 26.7 -1.0 -5.9 282 298 A T H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.934 113.1 46.3 -67.9 -48.7 28.8 -2.4 -3.0 283 299 A N H X S+ 0 0 49 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.871 110.0 54.8 -63.3 -35.6 30.7 -5.0 -4.9 284 300 A N H X S+ 0 0 62 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.954 111.4 45.0 -62.5 -44.7 31.4 -2.6 -7.8 285 301 A I H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.940 113.3 49.8 -63.4 -46.6 33.0 -0.2 -5.3 286 302 A G H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.878 109.6 52.5 -59.8 -36.1 34.9 -2.9 -3.6 287 303 A S H X S+ 0 0 68 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.922 111.9 44.1 -68.6 -43.8 36.2 -4.1 -7.0 288 304 A V H X S+ 0 0 38 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.907 114.9 49.0 -64.7 -44.8 37.5 -0.7 -7.9 289 305 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.945 109.1 53.0 -60.8 -49.1 39.0 -0.1 -4.5 290 306 A R H X S+ 0 0 88 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.924 110.9 47.8 -50.6 -47.3 40.7 -3.5 -4.6 291 307 A M H X S+ 0 0 124 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.907 111.9 47.7 -64.8 -44.3 42.2 -2.6 -8.0 292 308 A C H X S+ 0 0 16 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.887 111.2 53.1 -62.8 -38.9 43.5 0.9 -6.9 293 309 A A H X>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 4,-0.9 0.954 111.6 43.7 -60.1 -53.1 45.0 -0.7 -3.7 294 310 A V H ><5S+ 0 0 86 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.925 116.8 46.8 -58.6 -44.3 46.9 -3.3 -5.7 295 311 A N H 3<5S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.4 43.7 -70.9 -33.9 48.0 -0.7 -8.2 296 312 A E H 3<5S- 0 0 70 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.516 110.4-121.2 -86.1 -5.0 49.0 1.9 -5.6 297 313 A K T <<5 + 0 0 185 -4,-0.9 2,-0.4 -3,-0.6 -3,-0.2 0.919 65.1 141.4 61.2 46.8 50.8 -0.8 -3.4 298 314 A I < - 0 0 3 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.976 33.7-173.4-118.3 129.4 48.5 -0.1 -0.4 299 315 A N + 0 0 94 -2,-0.4 32,-2.1 -131,-0.3 2,-0.5 0.538 67.5 67.7-105.5 -3.6 47.2 -3.0 1.7 300 316 A R E - n 0 331C 41 -132,-0.4 -130,-2.1 30,-0.2 2,-0.5 -0.967 59.9-173.2-117.3 126.8 44.8 -1.1 4.0 301 317 A V E -ln 170 332C 0 30,-2.3 32,-2.8 -2,-0.5 2,-0.5 -0.973 7.0-160.3-122.0 115.3 41.6 0.4 2.5 302 318 A V E -ln 171 333C 0 -132,-3.1 -130,-3.0 -2,-0.5 2,-0.5 -0.860 6.3-159.4 -98.3 124.4 39.5 2.6 4.8 303 319 A F E +ln 172 334C 2 30,-2.4 32,-0.5 -2,-0.5 2,-0.2 -0.925 21.9 159.3-104.5 132.8 35.9 3.0 3.6 304 320 A V E +l 173 0C 4 -132,-2.8 -130,-2.9 -2,-0.5 35,-0.2 -0.782 16.9 84.4-137.8 179.7 33.9 6.0 4.9 305 321 A G S > S- 0 0 3 33,-2.2 3,-1.4 -2,-0.2 -130,-0.2 -0.125 82.7 -73.4 100.3 162.9 30.9 8.1 4.1 306 322 A N G > S+ 0 0 20 1,-0.3 3,-1.3 2,-0.2 -131,-0.2 0.652 111.9 81.6 -80.0 -9.9 27.2 7.8 4.8 307 323 A F G 3 S+ 0 0 5 -133,-2.0 -1,-0.3 1,-0.2 7,-0.1 0.863 101.3 44.9 -48.0 -34.3 26.4 5.0 2.3 308 324 A L G X S+ 0 0 9 -3,-1.4 3,-2.1 -134,-0.4 -1,-0.2 0.456 82.7 125.1 -94.3 -3.4 27.8 2.8 5.1 309 325 A R T < S- 0 0 24 -3,-1.3 -3,-0.0 1,-0.3 3,-0.0 -0.373 95.2 -12.0 -61.2 133.3 26.0 4.4 8.0 310 326 A V T 3 S+ 0 0 85 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.729 107.8 125.7 40.4 34.5 24.0 1.8 9.9 311 327 A N <> + 0 0 2 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 -0.699 21.2 157.8-123.8 76.3 24.8 -0.5 6.9 312 328 A T H > S+ 0 0 70 -2,-0.5 4,-2.9 2,-0.2 5,-0.4 0.871 72.5 65.3 -67.6 -35.5 26.5 -3.7 8.2 313 329 A L H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.948 109.0 38.7 -50.8 -51.9 25.4 -5.6 5.0 314 330 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 115.1 51.9 -70.1 -39.4 27.7 -3.4 2.9 315 331 A M H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.924 113.4 43.9 -64.0 -43.9 30.5 -3.2 5.4 316 332 A K H X S+ 0 0 85 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.879 112.1 52.8 -69.5 -36.6 30.8 -7.0 5.8 317 333 A L H X S+ 0 0 35 -4,-1.9 4,-3.1 -5,-0.4 -1,-0.2 0.906 111.0 47.5 -64.7 -42.3 30.4 -7.5 2.0 318 334 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.928 113.6 47.6 -61.9 -45.8 33.3 -5.1 1.5 319 335 A A H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.937 115.9 44.9 -61.9 -46.2 35.4 -6.8 4.2 320 336 A Y H X S+ 0 0 69 -4,-3.2 4,-3.5 2,-0.2 5,-0.3 0.955 113.8 49.1 -60.0 -52.0 34.6 -10.3 2.7 321 337 A A H X S+ 0 0 6 -4,-3.1 4,-2.0 1,-0.2 5,-0.3 0.917 113.9 44.3 -58.8 -49.7 35.2 -9.2 -0.9 322 338 A L H X S+ 0 0 0 -4,-2.6 4,-1.2 -5,-0.2 8,-0.4 0.932 119.0 43.5 -60.3 -46.3 38.6 -7.6 -0.2 323 339 A D H <>S+ 0 0 48 -4,-2.2 5,-2.3 -5,-0.3 4,-0.4 0.942 118.3 42.8 -66.2 -48.9 39.8 -10.4 2.1 324 340 A Y H ><5S+ 0 0 81 -4,-3.5 3,-1.6 -5,-0.2 -3,-0.2 0.976 115.7 44.7 -64.0 -57.1 38.5 -13.3 -0.2 325 341 A W H 3<5S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.699 120.6 41.2 -67.2 -19.0 39.6 -12.0 -3.6 326 342 A S T ><5S- 0 0 16 -4,-1.2 3,-1.6 -5,-0.3 -1,-0.3 0.311 106.7-123.8-106.3 5.0 43.1 -10.9 -2.3 327 343 A K T < 5S- 0 0 194 -3,-1.6 -3,-0.2 -4,-0.4 -4,-0.1 0.894 75.7 -47.1 53.3 45.8 43.6 -14.0 -0.1 328 344 A G T 3 -I 144 0C 5 -32,-0.5 3,-1.9 -2,-0.3 -191,-0.2 -0.991 13.4-135.0-133.8 135.9 35.7 4.3 11.1 336 352 A E T 3 S+ 0 0 40 -193,-2.9 -192,-0.1 -2,-0.4 -1,-0.1 0.769 101.2 62.1 -63.0 -28.7 33.2 5.0 13.9 337 353 A H T > S- 0 0 0 -194,-0.2 3,-2.3 1,-0.2 -1,-0.3 0.288 82.1-170.4 -91.2 12.6 32.5 8.6 12.8 338 354 A E T < - 0 0 37 -3,-1.9 -33,-2.2 1,-0.3 -1,-0.2 -0.125 65.1 -3.2 62.6-103.3 31.1 7.5 9.4 339 355 A G T 3 S+ 0 0 11 -2,-0.3 3,-0.3 -35,-0.2 -1,-0.3 0.173 107.4 91.4-117.3 17.4 30.6 10.5 7.2 340 356 A Y <> + 0 0 1 -3,-2.3 4,-1.8 1,-0.2 3,-0.2 0.488 53.1 97.9 -96.2 -3.0 31.5 13.4 9.6 341 357 A F H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.837 81.1 52.4 -59.7 -39.2 35.2 13.8 8.8 342 358 A G H > S+ 0 0 2 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.924 108.3 51.5 -63.7 -44.9 34.9 16.7 6.3 343 359 A A H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 -327,-0.2 0.881 112.0 46.7 -58.9 -41.3 32.9 18.7 8.8 344 360 A V H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.928 110.6 52.9 -66.0 -45.3 35.6 18.2 11.4 345 361 A G H X S+ 0 0 1 -4,-2.9 4,-0.7 -220,-0.3 -2,-0.2 0.886 108.3 50.3 -56.4 -41.9 38.2 19.1 8.9 346 362 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 2,-0.2 4,-0.3 0.930 109.0 51.9 -59.8 -47.1 36.4 22.3 8.2 347 363 A L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.910 103.0 59.0 -58.4 -39.8 36.2 23.1 11.9 348 364 A L H 3< S+ 0 0 27 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.689 95.7 65.2 -66.3 -18.6 40.0 22.5 12.2 349 365 A G T X< S+ 0 0 2 -3,-1.3 3,-1.7 -4,-0.7 -1,-0.3 0.515 73.2 100.9 -75.6 -6.6 40.5 25.3 9.6 350 366 A L T < S+ 0 0 22 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 0.798 71.5 56.5 -53.9 -43.2 39.1 28.1 12.0 351 367 A P T 3 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.538 360.0 360.0 -72.6 -2.0 42.4 29.7 13.3 352 368 A N < 0 0 149 -3,-1.7 -3,-0.0 -4,-0.0 0, 0.0 -0.201 360.0 360.0 -98.5 360.0 43.5 30.4 9.7