REM -------------------------------------------------------------------- 2XMD REM 2XMD REM STRIDE: Knowledge-based secondary structure assignment 2XMD REM Please cite: D.Frishman & P.Argos, Proteins 23, 566-579, 1995 2XMD REM 2XMD REM Residue accessible surface area calculation 2XMD REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 2XMD REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 2XMD REM 2XMD REM ------------------------ General information ----------------------- 2XMD REM 2XMD HDR HYDROLASE 27-JUL-10 2XMD 2XMD CMP MOL_ID: 1; 2XMD CMP MOLECULE: CHOLINESTERASE; 2XMD CMP CHAIN: A; 2XMD CMP FRAGMENT: RESIDUES 29-557; 2XMD CMP SYNONYM: ACYLCHOLINE ACYLHYDROLASE, CHOLINE ESTERASE II, 2XMD CMP BUTYRYLCHOLINESTERASE, PSEUDOCHOLINESTERASE; 2XMD CMP EC: 3.1.1.8; 2XMD CMP ENGINEERED: YES; 2XMD CMP MUTATION: YES 2XMD SRC MOL_ID: 1; 2XMD SRC ORGANISM_SCIENTIFIC: HOMO SAPIENS; 2XMD SRC ORGANISM_COMMON: HUMAN; 2XMD SRC ORGANISM_TAXID: 9606; 2XMD SRC EXPRESSION_SYSTEM: CRICETULUS GRISEUS; 2XMD SRC EXPRESSION_SYSTEM_COMMON: CHINESE HAMSTER; 2XMD SRC EXPRESSION_SYSTEM_TAXID: 10029; 2XMD SRC EXPRESSION_SYSTEM_CELL_LINE: CHO K1 2XMD AUT F.NACHON,E.CARLETTI,M.WANDHAMMER,Y.NICOLET,L.M.SCHOPFER,P.MAS 2XMD AUT O.LOCKRIDGE 2XMD REM 2XMD REM -------------------- Secondary structure summary ------------------- 2XMD REM 2XMD CHN 2xmd.pdb A 2XMD REM 2XMD REM . . . . . 2XMD SEQ 1 DIIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKW 50 2XMD STR EEETTTTEEE EEEEETTEEEEEEEEEE BTTTGGGTTT B 2XMD REM 2XMD REM . . . . . 2XMD SEQ 51 SDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAP 100 2XMD STR EE B B TTTTTTHHHHH BTTTTTEEEEEEEET 2XMD REM 2XMD REM . . . . . 2XMD SEQ 101 KPKNATVLIWIYGGHFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG 150 2XMD STR TTTTEEEEEEE TTTTTT TTTTTTTTHHHHHHHH EEEEEE GGGG 2XMD REM 2XMD REM . . . . . 2XMD SEQ 151 FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAA 200 2XMD STR TTTTTTTT HHHHHHHHHHHHHHHHGGGG EEEEEEEEEEE HHHH 2XMD REM 2XMD REM . . . . . 2XMD SEQ 201 SVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGC 250 2XMD STR HHHHHHH GGGTTTT EEEEETTTTTTTTT HHHHHHHHHHHHHHH 2XMD REM 2XMD REM . . . . . 2XMD SEQ 251 SRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDM 300 2XMD STR TTTHHHHHHHHHH HHHHHHHHHTTTTTTTTTTTTTT TTTTTT 2XMD REM 2XMD REM . . . . . 2XMD SEQ 301 PDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQE 350 2XMD STR HHHHHHH EEEEEETBTTGGGTTTTTTTTTTTT HHHHHH 2XMD REM 2XMD REM . . . . . 2XMD SEQ 351 GLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPA 400 2XMD STR HHHHHTTTT HHHHHHHHHHHH TTTT HHHHHHHHHHHHHHHHHHHH 2XMD REM 2XMD REM . . . . . 2XMD SEQ 401 LEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER 450 2XMD STR HHHHHHHHH EEEEEE TTTT GGGTTBTTTHHHHHH GGGTT 2XMD REM 2XMD REM . . . . . 2XMD SEQ 451 RDQYTKAEEILSRSIVKRWANFAKYGNPQETQNQSTSWPVFKSTEQKYLT 500 2XMD STR TTT HHHHHHHHHHHHHHHHHHHH TTTTTTTT BTTTTTEEEE 2XMD REM 2XMD REM . . 2XMD SEQ 501 LNTESTRIMTKLRAQQCRFWTSFFPKV 527 2XMD STR ETTTT EEEETTTHHHHHHHHHHGGG 2XMD REM 2XMD REM 2XMD REM 2XMD LOC AlphaHelix HIS 77 A MET 81 A 2XMD LOC AlphaHelix GLY 130 A GLU 137 A 2XMD LOC AlphaHelix MET 166 A ASN 181 A 2XMD LOC AlphaHelix ALA 199 A LEU 209 A 2XMD LOC AlphaHelix LEU 236 A THR 250 A 2XMD LOC AlphaHelix GLU 257 A ASN 266 A 2XMD LOC AlphaHelix PRO 269 A ALA 277 A 2XMD LOC AlphaHelix PRO 303 A LEU 309 A 2XMD LOC AlphaHelix ARG 347 A PHE 357 A 2XMD LOC AlphaHelix GLU 363 A THR 374 A 2XMD LOC AlphaHelix GLU 383 A GLU 411 A 2XMD LOC AlphaHelix GLU 441 A PHE 446 A 2XMD LOC AlphaHelix LYS 458 A TYR 477 A 2XMD LOC AlphaHelix ALA 516 A PHE 525 A 2XMD LOC 310Helix GLY 39 A LEU 41 A 2XMD LOC 310Helix GLY 149 A GLY 152 A 2XMD LOC 310Helix ILE 182 A PHE 185 A 2XMD LOC 310Helix PRO 211 A SER 213 A 2XMD LOC 310Helix THR 327 A PHE 329 A 2XMD LOC 310Helix GLU 432 A MET 434 A 2XMD LOC 310Helix LEU 448 A LEU 450 A 2XMD LOC 310Helix PHE 526 A LYS 528 A 2XMD LOC Strand ILE 5 A ALA 7 A 2XMD LOC Strand LYS 12 A ARG 14 A 2XMD LOC Strand MET 16 A VAL 20 A 2XMD LOC Strand GLY 23 A PRO 32 A 2XMD LOC Strand TRP 56 A ASN 57 A 2XMD LOC Strand TYR 94 A ALA 101 A 2XMD LOC Strand ALA 107 A ILE 113 A 2XMD LOC Strand ILE 140 A ASN 145 A 2XMD LOC Strand GLY 187 A GLU 197 A 2XMD LOC Strand ARG 219 A GLN 223 A 2XMD LOC Strand ILE 317 A ASN 322 A 2XMD LOC Strand ALA 416 A PHE 421 A 2XMD LOC Strand LYS 499 A LEU 503 A 2XMD LOC Strand ARG 509 A THR 512 A 2XMD LOC TurnI THR 8 A GLY 11 A 2XMD LOC TurnIV THR 19 A GLY 22 A 2XMD LOC TurnI' VAL 20 A GLY 23 A 2XMD LOC TurnIV PHE 28 A ILE 31 A 2XMD LOC TurnII LEU 41 A LYS 44 A 2XMD LOC TurnIV GLN 71 A PRO 74 A 2XMD LOC TurnII PHE 73 A PHE 76 A 2XMD LOC TurnVIII SER 89 A CYS 92 A 2XMD LOC TurnIV PRO 100 A LYS 103 A 2XMD LOC TurnIV PRO 104 A ALA 107 A 2XMD LOC TurnIV GLY 115 A PHE 118 A 2XMD LOC TurnI' GLY 116 A GLN 119 A 2XMD LOC TurnIV HIS 117 A THR 120 A 2XMD LOC TurnI THR 122 A LEU 125 A 2XMD LOC TurnI LEU 125 A TYR 128 A 2XMD LOC TurnI HIS 126 A ASP 129 A 2XMD LOC TurnII LEU 156 A ASN 159 A 2XMD LOC TurnI ASN 159 A ALA 162 A 2XMD LOC TurnIV PRO 160 A PRO 163 A 2XMD LOC TurnI ASN 188 A SER 191 A 2XMD LOC TurnIV PRO 189 A VAL 192 A 2XMD LOC TurnI SER 213 A LEU 216 A 2XMD LOC TurnI HIS 214 A PHE 217 A 2XMD LOC TurnIV LEU 222 A GLY 225 A 2XMD LOC TurnI SER 226 A ALA 229 A 2XMD LOC TurnI ALA 229 A ALA 232 A 2XMD LOC TurnIV ARG 254 A GLU 257 A 2XMD LOC TurnVIII PHE 278 A PRO 281 A 2XMD LOC TurnVIII VAL 280 A GLY 283 A 2XMD LOC TurnI THR 284 A SER 287 A 2XMD LOC TurnVIII VAL 288 A GLY 291 A 2XMD LOC TurnIV ASP 295 A PHE 298 A 2XMD LOC TurnIV GLY 296 A LEU 299 A 2XMD LOC TurnVIII ASP 297 A THR 300 A 2XMD LOC TurnIV ASN 322 A GLU 325 A 2XMD LOC TurnI ASP 324 A THR 327 A 2XMD LOC TurnI PHE 329 A TYR 332 A 2XMD LOC TurnIV LEU 330 A GLY 333 A 2XMD LOC TurnIV VAL 331 A ALA 334 A 2XMD LOC TurnII ALA 334 A PHE 337 A 2XMD LOC TurnI SER 338 A ASN 341 A 2XMD LOC TurnIV PHE 358 A VAL 361 A 2XMD LOC TurnIV ASP 378 A ARG 381 A 2XMD LOC TurnI SER 425 A LEU 428 A 2XMD LOC TurnIV MET 434 A MET 437 A 2XMD LOC TurnII MET 437 A TYR 440 A 2XMD LOC TurnI GLU 451 A ASP 454 A 2XMD LOC TurnI ARG 452 A GLN 455 A 2XMD LOC TurnIV GLU 482 A ASN 485 A 2XMD LOC TurnIV THR 483 A GLN 486 A 2XMD LOC TurnIV LYS 494 A GLU 497 A 2XMD LOC TurnI SER 495 A GLN 498 A 2XMD LOC TurnIV ASN 504 A SER 507 A 2XMD LOC TurnIV LYS 513 A ALA 516 A 2XMD LOC GammaInv PRO 36 A LEU 38 A 2XMD LOC GammaInv CYS 92 A TYR 94 A 2XMD LOC GammaInv ASN 479 A GLN 481 A 2XMD LOC Disulfide CYS 65 A CYS 92 A PDB 2XMD LOC Disulfide CYS 252 A CYS 263 A PDB 2XMD LOC Disulfide CYS 400 A CYS 519 A PDB 2XMD REM 2XMD REM --------------- Detailed secondary structure assignment------------- 2XMD REM 2XMD REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 2XMD ASG ASP A 3 1 C Coil 360.00 116.80 152.5 2XMD ASG ILE A 4 2 C Coil -120.95 108.50 52.0 2XMD ASG ILE A 5 3 E Strand -128.23 131.57 53.0 2XMD ASG ILE A 6 4 E Strand -119.35 137.94 19.1 2XMD ASG ALA A 7 5 E Strand -86.53 117.47 66.0 2XMD ASG THR A 8 6 T Turn -104.63 177.87 13.5 2XMD ASG LYS A 9 7 T Turn -63.74 -33.06 135.0 2XMD ASG ASN A 10 8 T Turn -91.84 -20.28 46.0 2XMD ASG GLY A 11 9 T Turn 156.14 -175.72 14.2 2XMD ASG LYS A 12 10 E Strand -69.10 138.84 108.5 2XMD ASG VAL A 13 11 E Strand -125.25 147.64 0.0 2XMD ASG ARG A 14 12 E Strand -110.37 132.73 66.5 2XMD ASG GLY A 15 13 C Coil -104.54 -163.67 5.5 2XMD ASG MET A 16 14 E Strand -137.56 150.54 63.6 2XMD ASG GLN A 17 15 E Strand -89.95 142.10 117.0 2XMD ASG LEU A 18 16 E Strand -118.52 143.83 35.0 2XMD ASG THR A 19 17 E Strand -91.88 123.11 122.9 2XMD ASG VAL A 20 18 E Strand -141.80 117.33 3.7 2XMD ASG PHE A 21 19 T Turn 47.01 53.77 67.0 2XMD ASG GLY A 22 20 T Turn 73.80 18.55 79.3 2XMD ASG GLY A 23 21 E Strand -146.44 -164.17 16.3 2XMD ASG THR A 24 22 E Strand -134.40 135.68 46.2 2XMD ASG VAL A 25 23 E Strand -118.53 133.47 0.0 2XMD ASG THR A 26 24 E Strand -85.93 128.79 8.4 2XMD ASG ALA A 27 25 E Strand -116.29 133.90 0.6 2XMD ASG PHE A 28 26 E Strand -119.55 108.54 0.4 2XMD ASG LEU A 29 27 E Strand -109.93 132.24 15.7 2XMD ASG GLY A 30 28 E Strand 77.02 40.80 3.7 2XMD ASG ILE A 31 29 E Strand -83.98 130.70 0.2 2XMD ASG PRO A 32 30 E Strand -75.33 146.42 10.7 2XMD ASG TYR A 33 31 C Coil -129.44 -3.41 8.9 2XMD ASG ALA A 34 32 C Coil -150.80 160.86 3.1 2XMD ASG GLN A 35 33 B Bridge -54.29 134.38 64.9 2XMD ASG PRO A 36 34 T Turn -50.02 125.12 46.9 2XMD ASG PRO A 37 35 T Turn -86.31 67.33 6.1 2XMD ASG LEU A 38 36 T Turn -112.79 158.28 73.5 2XMD ASG GLY A 39 37 G 310Helix 65.60 -123.49 32.1 2XMD ASG ARG A 40 38 G 310Helix -59.81 -18.37 185.5 2XMD ASG LEU A 41 39 G 310Helix -93.03 -17.67 28.5 2XMD ASG ARG A 42 40 T Turn -52.20 130.62 11.5 2XMD ASG PHE A 43 41 T Turn 77.67 -4.42 0.2 2XMD ASG LYS A 44 42 T Turn -87.45 161.35 47.4 2XMD ASG LYS A 45 43 C Coil -53.50 145.06 72.9 2XMD ASG PRO A 46 44 C Coil -61.42 135.66 21.1 2XMD ASG GLN A 47 45 B Bridge -105.12 156.89 70.8 2XMD ASG SER A 48 46 C Coil -79.91 155.21 88.7 2XMD ASG LEU A 49 47 C Coil -82.59 140.03 29.4 2XMD ASG THR A 50 48 C Coil -64.73 -40.79 104.9 2XMD ASG LYS A 51 49 C Coil 108.06 135.48 161.9 2XMD ASG TRP A 52 50 C Coil -130.60 144.18 46.7 2XMD ASG SER A 53 51 C Coil -87.50 167.64 103.1 2XMD ASG ASP A 54 52 C Coil 75.02 171.70 114.6 2XMD ASG ILE A 55 53 C Coil -101.83 123.32 55.3 2XMD ASG TRP A 56 54 E Strand -89.88 129.02 82.9 2XMD ASG ASN A 57 55 E Strand -87.70 104.97 94.2 2XMD ASG ALA A 58 56 C Coil -105.03 73.23 0.0 2XMD ASG THR A 59 57 B Bridge -124.73 8.04 55.6 2XMD ASG LYS A 60 58 C Coil -160.43 141.15 159.5 2XMD ASG TYR A 61 59 C Coil -45.73 144.39 50.7 2XMD ASG ALA A 62 60 C Coil -95.92 179.92 18.3 2XMD ASG ASN A 63 61 C Coil -50.69 135.13 43.6 2XMD ASG SER A 64 62 B Bridge -77.08 155.04 0.0 2XMD ASG CYS A 65 63 C Coil -74.99 157.96 2.0 2XMD ASG CYS A 66 64 C Coil -55.02 137.64 11.2 2XMD ASG GLN A 67 65 C Coil -170.52 151.45 4.8 2XMD ASG ASN A 68 66 C Coil -75.07 151.75 60.2 2XMD ASG ILE A 69 67 C Coil -108.21 141.34 63.1 2XMD ASG ASP A 70 68 C Coil -59.49 104.82 44.9 2XMD ASG GLN A 71 69 T Turn -104.81 16.97 159.9 2XMD ASG SER A 72 70 T Turn -71.38 -34.59 63.4 2XMD ASG PHE A 73 71 T Turn -126.74 66.01 36.6 2XMD ASG PRO A 74 72 T Turn -61.72 138.84 101.4 2XMD ASG GLY A 75 73 T Turn 83.39 -3.91 68.1 2XMD ASG PHE A 76 74 T Turn -97.30 119.75 30.0 2XMD ASG HIS A 77 75 H AlphaHelix -56.59 -35.40 126.3 2XMD ASG GLY A 78 76 H AlphaHelix -53.61 -37.46 0.0 2XMD ASG SER A 79 77 H AlphaHelix -103.11 -38.39 0.6 2XMD ASG GLU A 80 78 H AlphaHelix -68.01 -26.51 81.7 2XMD ASG MET A 81 79 H AlphaHelix -54.43 -26.83 28.4 2XMD ASG TRP A 82 80 C Coil -85.56 -11.96 64.5 2XMD ASG ASN A 83 81 C Coil -76.67 149.51 26.4 2XMD ASG PRO A 84 82 C Coil -56.21 140.91 25.6 2XMD ASG ASN A 85 83 C Coil -123.08 24.55 88.0 2XMD ASG THR A 86 84 C Coil -137.71 159.13 31.8 2XMD ASG ASP A 87 85 C Coil -47.12 143.65 124.5 2XMD ASG LEU A 88 86 B Bridge -82.58 138.24 63.4 2XMD ASG SER A 89 87 T Turn -161.12 152.07 32.7 2XMD ASG GLU A 90 88 T Turn -63.33 -20.37 33.1 2XMD ASG ASP A 91 89 T Turn -90.26 82.70 42.1 2XMD ASG CYS A 92 90 T Turn -132.88 11.24 0.8 2XMD ASG LEU A 93 91 T Turn -86.10 80.57 1.9 2XMD ASG TYR A 94 92 E Strand -134.50 157.58 25.8 2XMD ASG LEU A 95 93 E Strand -135.58 167.85 0.0 2XMD ASG ASN A 96 94 E Strand -123.69 141.69 3.0 2XMD ASG VAL A 97 95 E Strand -126.21 132.22 0.0 2XMD ASG TRP A 98 96 E Strand -120.44 125.02 1.8 2XMD ASG ILE A 99 97 E Strand -123.16 139.15 4.6 2XMD ASG PRO A 100 98 E Strand -59.89 151.97 1.9 2XMD ASG ALA A 101 99 E Strand -123.19 134.39 32.6 2XMD ASG PRO A 102 100 T Turn -67.28 148.63 105.7 2XMD ASG LYS A 103 101 T Turn -36.50 130.62 111.7 2XMD ASG PRO A 104 102 T Turn -80.26 169.01 12.7 2XMD ASG LYS A 105 103 T Turn -92.37 -39.64 200.3 2XMD ASG ASN A 106 104 T Turn -162.01 60.91 104.5 2XMD ASG ALA A 107 105 E Strand -78.01 145.86 9.4 2XMD ASG THR A 108 106 E Strand -66.11 145.31 13.5 2XMD ASG VAL A 109 107 E Strand -113.78 132.73 0.0 2XMD ASG LEU A 110 108 E Strand -108.33 121.38 0.8 2XMD ASG ILE A 111 109 E Strand -110.15 114.90 1.4 2XMD ASG TRP A 112 110 E Strand -87.86 135.21 0.7 2XMD ASG ILE A 113 111 E Strand -118.54 111.62 0.0 2XMD ASG TYR A 114 112 C Coil -72.40 153.58 0.4 2XMD ASG GLY A 115 113 T Turn -88.60 -170.13 5.3 2XMD ASG GLY A 116 114 T Turn 138.61 37.85 13.4 2XMD ASG HIS A 117 115 T Turn 53.13 17.80 58.2 2XMD ASG PHE A 118 116 T Turn 62.90 9.84 0.0 2XMD ASG GLN A 119 117 T Turn -116.51 -19.04 25.7 2XMD ASG THR A 120 118 T Turn -141.98 178.11 46.3 2XMD ASG GLY A 121 119 C Coil 117.45 157.78 4.6 2XMD ASG THR A 122 120 T Turn -156.66 149.16 0.2 2XMD ASG SER A 123 121 T Turn -71.47 -12.58 2.0 2XMD ASG SER A 124 122 T Turn -87.65 3.78 2.3 2XMD ASG LEU A 125 123 T Turn -61.89 146.44 3.8 2XMD ASG HIS A 126 124 T Turn -51.04 -36.58 117.8 2XMD ASG VAL A 127 125 T Turn -79.15 -5.03 9.8 2XMD ASG TYR A 128 126 T Turn -109.79 21.03 5.6 2XMD ASG ASP A 129 127 T Turn -80.04 108.83 18.4 2XMD ASG GLY A 130 128 H AlphaHelix -72.33 0.20 0.0 2XMD ASG LYS A 131 129 H AlphaHelix -64.37 -30.44 55.1 2XMD ASG PHE A 132 130 H AlphaHelix -69.71 -41.45 13.4 2XMD ASG LEU A 133 131 H AlphaHelix -62.36 -45.14 2.0 2XMD ASG ALA A 134 132 H AlphaHelix -59.45 -47.87 0.0 2XMD ASG ARG A 135 133 H AlphaHelix -65.32 -48.75 82.1 2XMD ASG VAL A 136 134 H AlphaHelix -84.46 -43.08 34.3 2XMD ASG GLU A 137 135 H AlphaHelix -104.92 -2.94 4.4 2XMD ASG ARG A 138 136 C Coil 53.12 35.16 110.3 2XMD ASG VAL A 139 137 C Coil -89.91 162.21 0.2 2XMD ASG ILE A 140 138 E Strand -94.48 135.33 0.0 2XMD ASG VAL A 141 139 E Strand -112.84 136.94 0.4 2XMD ASG VAL A 142 140 E Strand -130.03 142.92 0.6 2XMD ASG SER A 143 141 E Strand -144.64 153.48 0.6 2XMD ASG MET A 144 142 E Strand -138.43 155.45 0.4 2XMD ASG ASN A 145 143 E Strand -90.01 133.98 3.4 2XMD ASG TYR A 146 144 C Coil -127.36 151.44 0.0 2XMD ASG ARG A 147 145 C Coil -64.10 138.93 10.0 2XMD ASG VAL A 148 146 C Coil -124.67 172.41 2.1 2XMD ASG GLY A 149 147 G 310Helix 65.77 -164.28 1.0 2XMD ASG ALA A 150 148 G 310Helix -60.39 -27.55 0.0 2XMD ASG LEU A 151 149 G 310Helix -73.31 -19.20 8.4 2XMD ASG GLY A 152 150 G 310Helix -100.37 -26.42 0.0 2XMD ASG PHE A 153 151 C Coil -139.18 11.61 2.6 2XMD ASG LEU A 154 152 C Coil -55.55 134.03 0.0 2XMD ASG ALA A 155 153 C Coil -127.88 125.89 1.9 2XMD ASG LEU A 156 154 T Turn -124.39 98.36 2.8 2XMD ASG PRO A 157 155 T Turn -59.66 135.38 70.9 2XMD ASG GLY A 158 156 T Turn 85.60 0.16 71.5 2XMD ASG ASN A 159 157 T Turn -104.90 106.69 19.8 2XMD ASG PRO A 160 158 T Turn -71.41 -1.17 85.8 2XMD ASG GLU A 161 159 T Turn -78.05 -20.87 47.7 2XMD ASG ALA A 162 160 T Turn -162.84 65.83 0.0 2XMD ASG PRO A 163 161 T Turn -82.71 -17.34 13.9 2XMD ASG GLY A 164 162 C Coil 104.43 167.30 0.0 2XMD ASG ASN A 165 163 C Coil 61.05 9.14 0.0 2XMD ASG MET A 166 164 H AlphaHelix -45.13 -48.64 0.0 2XMD ASG GLY A 167 165 H AlphaHelix -67.48 -24.71 0.0 2XMD ASG LEU A 168 166 H AlphaHelix -71.94 -34.89 0.2 2XMD ASG PHE A 169 167 H AlphaHelix -73.48 -27.06 12.6 2XMD ASG ASP A 170 168 H AlphaHelix -62.10 -54.04 0.0 2XMD ASG GLN A 171 169 H AlphaHelix -52.92 -47.37 0.0 2XMD ASG GLN A 172 170 H AlphaHelix -59.84 -40.52 33.9 2XMD ASG LEU A 173 171 H AlphaHelix -71.29 -27.26 42.8 2XMD ASG ALA A 174 172 H AlphaHelix -71.12 -37.26 1.4 2XMD ASG LEU A 175 173 H AlphaHelix -59.93 -38.34 0.2 2XMD ASG GLN A 176 174 H AlphaHelix -67.78 -36.18 75.0 2XMD ASG TRP A 177 175 H AlphaHelix -60.69 -41.19 18.8 2XMD ASG VAL A 178 176 H AlphaHelix -62.80 -51.81 0.4 2XMD ASG GLN A 179 177 H AlphaHelix -48.76 -47.70 50.1 2XMD ASG LYS A 180 178 H AlphaHelix -78.55 -25.96 128.4 2XMD ASG ASN A 181 179 H AlphaHelix -120.98 -25.38 7.6 2XMD ASG ILE A 182 180 G 310Helix -65.52 -17.65 0.0 2XMD ASG ALA A 183 181 G 310Helix -69.18 -30.50 67.2 2XMD ASG ALA A 184 182 G 310Helix -63.17 -26.99 34.2 2XMD ASG PHE A 185 183 G 310Helix -92.95 7.20 0.0 2XMD ASG GLY A 186 184 C Coil 81.50 18.43 3.3 2XMD ASG GLY A 187 185 E Strand -101.16 156.40 0.9 2XMD ASG ASN A 188 186 E Strand -93.78 100.59 32.5 2XMD ASG PRO A 189 187 E Strand -57.63 -12.99 28.5 2XMD ASG LYS A 190 188 E Strand -91.38 1.82 166.8 2XMD ASG SER A 191 189 E Strand -136.55 78.48 11.0 2XMD ASG VAL A 192 190 E Strand -119.78 128.42 0.0 2XMD ASG THR A 193 191 E Strand -117.45 128.41 0.2 2XMD ASG LEU A 194 192 E Strand -86.16 142.94 0.0 2XMD ASG PHE A 195 193 E Strand -145.61 151.93 0.6 2XMD ASG GLY A 196 194 E Strand -171.86 164.16 0.0 2XMD ASG GLU A 197 195 E Strand -130.42 145.20 6.4 2XMD ASG SER A 198 196 C Coil 54.52 -119.94 11.4 2XMD ASG ALA A 199 197 H AlphaHelix -60.40 -28.86 0.0 2XMD ASG GLY A 200 198 H AlphaHelix -69.18 -36.71 0.0 2XMD ASG ALA A 201 199 H AlphaHelix -64.48 -44.07 0.0 2XMD ASG ALA A 202 200 H AlphaHelix -59.06 -40.84 0.0 2XMD ASG SER A 203 201 H AlphaHelix -59.22 -45.09 0.0 2XMD ASG VAL A 204 202 H AlphaHelix -59.88 -44.25 0.0 2XMD ASG SER A 205 203 H AlphaHelix -66.26 -30.71 0.0 2XMD ASG LEU A 206 204 H AlphaHelix -74.19 -29.08 0.0 2XMD ASG HIS A 207 205 H AlphaHelix -66.09 -36.45 0.2 2XMD ASG LEU A 208 206 H AlphaHelix -57.87 -33.71 2.1 2XMD ASG LEU A 209 207 H AlphaHelix -85.66 -20.27 8.1 2XMD ASG SER A 210 208 C Coil -87.39 123.30 4.2 2XMD ASG PRO A 211 209 G 310Helix -64.75 -25.40 96.0 2XMD ASG GLY A 212 210 G 310Helix -70.24 -20.40 44.5 2XMD ASG SER A 213 211 G 310Helix -88.69 -15.77 0.0 2XMD ASG HIS A 214 212 T Turn -46.45 -43.93 100.9 2XMD ASG SER A 215 213 T Turn -87.73 -4.85 89.7 2XMD ASG LEU A 216 214 T Turn -98.55 4.25 2.7 2XMD ASG PHE A 217 215 T Turn -162.61 165.51 7.1 2XMD ASG THR A 218 216 C Coil -105.02 -48.03 35.0 2XMD ASG ARG A 219 217 E Strand -141.35 176.64 28.5 2XMD ASG ALA A 220 218 E Strand -149.39 139.29 0.0 2XMD ASG ILE A 221 219 E Strand -118.84 125.55 0.0 2XMD ASG LEU A 222 220 E Strand -121.16 108.41 0.2 2XMD ASG GLN A 223 221 E Strand -98.98 111.77 0.0 2XMD ASG SER A 224 222 T Turn 49.01 53.74 0.0 2XMD ASG GLY A 225 223 T Turn 179.74 153.95 1.0 2XMD ASG SER A 226 224 T Turn -164.19 153.02 0.4 2XMD ASG PHE A 227 225 T Turn -63.69 -20.01 4.5 2XMD ASG ASN A 228 226 T Turn -82.35 1.48 46.8 2XMD ASG ALA A 229 227 T Turn -61.51 144.57 4.7 2XMD ASG PRO A 230 228 T Turn -60.80 -22.69 54.3 2XMD ASG TRP A 231 229 T Turn -89.47 -6.08 24.9 2XMD ASG ALA A 232 230 T Turn -89.70 -19.89 0.0 2XMD ASG VAL A 233 231 C Coil -131.13 125.87 39.8 2XMD ASG THR A 234 232 C Coil -77.58 121.12 6.8 2XMD ASG SER A 235 233 C Coil -65.05 161.25 51.5 2XMD ASG LEU A 236 234 H AlphaHelix -61.74 -42.21 86.7 2XMD ASG TYR A 237 235 H AlphaHelix -53.66 -57.90 194.6 2XMD ASG GLU A 238 236 H AlphaHelix -58.13 -47.32 83.7 2XMD ASG ALA A 239 237 H AlphaHelix -58.64 -40.55 7.7 2XMD ASG ARG A 240 238 H AlphaHelix -66.34 -41.24 129.0 2XMD ASG ASN A 241 239 H AlphaHelix -60.27 -42.58 82.4 2XMD ASG ARG A 242 240 H AlphaHelix -75.38 -42.15 32.5 2XMD ASG THR A 243 241 H AlphaHelix -54.00 -47.01 0.6 2XMD ASG LEU A 244 242 H AlphaHelix -69.19 -43.63 56.8 2XMD ASG ASN A 245 243 H AlphaHelix -55.97 -48.20 44.2 2XMD ASG LEU A 246 244 H AlphaHelix -54.07 -49.29 0.0 2XMD ASG ALA A 247 245 H AlphaHelix -51.85 -53.19 0.4 2XMD ASG LYS A 248 246 H AlphaHelix -53.46 -44.54 152.9 2XMD ASG LEU A 249 247 H AlphaHelix -72.38 -27.54 77.5 2XMD ASG THR A 250 248 H AlphaHelix -96.16 9.69 5.0 2XMD ASG GLY A 251 249 C Coil 68.43 25.44 54.1 2XMD ASG CYS A 252 250 C Coil -108.28 17.27 0.0 2XMD ASG SER A 253 251 C Coil -62.06 119.67 70.8 2XMD ASG ARG A 254 252 T Turn -131.22 177.91 123.6 2XMD ASG GLU A 255 253 T Turn -97.22 -46.41 192.4 2XMD ASG ASN A 256 254 T Turn -79.73 125.18 89.7 2XMD ASG GLU A 257 255 H AlphaHelix -71.55 -34.85 70.2 2XMD ASG THR A 258 256 H AlphaHelix -60.48 -20.38 67.8 2XMD ASG GLU A 259 257 H AlphaHelix -90.20 -31.52 104.1 2XMD ASG ILE A 260 258 H AlphaHelix -55.87 -42.27 3.6 2XMD ASG ILE A 261 259 H AlphaHelix -70.92 -36.19 0.0 2XMD ASG LYS A 262 260 H AlphaHelix -67.70 -38.07 123.5 2XMD ASG CYS A 263 261 H AlphaHelix -66.52 -44.63 15.2 2XMD ASG LEU A 264 262 H AlphaHelix -63.92 -28.89 0.0 2XMD ASG ARG A 265 263 H AlphaHelix -71.85 -13.19 38.7 2XMD ASG ASN A 266 264 H AlphaHelix -94.14 -13.76 121.4 2XMD ASG LYS A 267 265 C Coil -66.65 152.92 57.0 2XMD ASG ASP A 268 266 C Coil -101.14 164.22 92.6 2XMD ASG PRO A 269 267 H AlphaHelix -53.74 -35.95 35.9 2XMD ASG GLN A 270 268 H AlphaHelix -60.12 -35.62 99.4 2XMD ASG GLU A 271 269 H AlphaHelix -69.65 -41.09 69.7 2XMD ASG ILE A 272 270 H AlphaHelix -65.40 -45.72 0.0 2XMD ASG LEU A 273 271 H AlphaHelix -62.19 -41.17 5.1 2XMD ASG LEU A 274 272 H AlphaHelix -64.35 -29.57 108.3 2XMD ASG ASN A 275 273 H AlphaHelix -90.39 -23.13 29.3 2XMD ASG GLU A 276 274 H AlphaHelix -48.48 -36.40 6.6 2XMD ASG ALA A 277 275 H AlphaHelix -68.13 -22.58 61.5 2XMD ASG PHE A 278 276 T Turn -102.76 0.80 131.4 2XMD ASG VAL A 279 277 T Turn -72.28 -8.27 1.2 2XMD ASG VAL A 280 278 T Turn -115.14 148.91 19.2 2XMD ASG PRO A 281 279 T Turn -86.00 -16.86 121.1 2XMD ASG TYR A 282 280 T Turn -147.68 115.23 129.8 2XMD ASG GLY A 283 281 T Turn -87.31 169.92 49.6 2XMD ASG THR A 284 282 T Turn -129.75 172.86 31.1 2XMD ASG PRO A 285 283 T Turn -57.09 -13.28 25.7 2XMD ASG LEU A 286 284 T Turn -99.68 -2.93 10.2 2XMD ASG SER A 287 285 T Turn -51.81 137.67 33.1 2XMD ASG VAL A 288 286 T Turn -126.12 87.57 12.3 2XMD ASG ASN A 289 287 T Turn -65.68 -33.29 19.9 2XMD ASG PHE A 290 288 T Turn -133.12 95.15 6.5 2XMD ASG GLY A 291 289 T Turn -121.45 -166.74 0.6 2XMD ASG PRO A 292 290 C Coil -51.99 141.89 0.0 2XMD ASG THR A 293 291 C Coil -127.27 172.91 2.4 2XMD ASG VAL A 294 292 C Coil -83.47 95.23 36.5 2XMD ASG ASP A 295 293 T Turn -93.21 -7.70 17.4 2XMD ASG GLY A 296 294 T Turn 72.08 17.41 53.9 2XMD ASG ASP A 297 295 T Turn -137.16 -81.20 75.5 2XMD ASG PHE A 298 296 T Turn -62.94 -38.15 1.0 2XMD ASG LEU A 299 297 T Turn -126.85 109.41 1.2 2XMD ASG THR A 300 298 T Turn -82.62 -7.60 93.6 2XMD ASG ASP A 301 299 C Coil -160.81 174.37 67.6 2XMD ASG MET A 302 300 C Coil -66.63 130.91 100.4 2XMD ASG PRO A 303 301 H AlphaHelix -66.77 -27.22 5.6 2XMD ASG ASP A 304 302 H AlphaHelix -53.56 -38.55 90.5 2XMD ASG ILE A 305 303 H AlphaHelix -70.10 -45.99 62.6 2XMD ASG LEU A 306 304 H AlphaHelix -55.66 -45.95 19.5 2XMD ASG LEU A 307 305 H AlphaHelix -62.70 -54.74 8.6 2XMD ASG GLU A 308 306 H AlphaHelix -56.47 -37.19 96.4 2XMD ASG LEU A 309 307 H AlphaHelix -104.81 13.50 100.1 2XMD ASG GLY A 310 308 C Coil 81.51 22.30 2.3 2XMD ASG GLN A 311 309 C Coil -97.18 88.53 117.4 2XMD ASG PHE A 312 310 C Coil -167.08 166.28 16.9 2XMD ASG LYS A 313 311 C Coil -63.66 133.25 21.3 2XMD ASG LYS A 314 312 C Coil -92.83 115.19 97.3 2XMD ASG THR A 315 313 C Coil -172.94 -179.89 9.9 2XMD ASG GLN A 316 314 C Coil -91.37 151.49 44.3 2XMD ASG ILE A 317 315 E Strand -132.33 152.45 0.0 2XMD ASG LEU A 318 316 E Strand -120.70 123.78 0.0 2XMD ASG VAL A 319 317 E Strand -129.21 143.93 0.2 2XMD ASG GLY A 320 318 E Strand -161.89 172.55 0.0 2XMD ASG VAL A 321 319 E Strand -146.39 167.06 0.0 2XMD ASG ASN A 322 320 E Strand -100.94 151.46 0.0 2XMD ASG LYS A 323 321 T Turn -66.79 -31.49 92.6 2XMD ASG ASP A 324 322 B Bridge -122.39 56.96 31.4 2XMD ASG GLU A 325 323 T Turn -47.06 -44.02 0.9 2XMD ASG GLY A 326 324 T Turn -76.32 -27.02 1.3 2XMD ASG THR A 327 325 G 310Helix -55.80 -43.71 9.2 2XMD ASG ALA A 328 326 G 310Helix -50.95 -31.56 14.6 2XMD ASG PHE A 329 327 G 310Helix -81.88 -15.59 17.6 2XMD ASG LEU A 330 328 T Turn -75.95 -23.77 0.0 2XMD ASG VAL A 331 329 T Turn -88.15 5.80 17.2 2XMD ASG TYR A 332 330 T Turn -108.11 34.03 73.6 2XMD ASG GLY A 333 331 T Turn 150.70 -23.66 45.2 2XMD ASG ALA A 334 332 T Turn -61.39 127.68 6.6 2XMD ASG PRO A 335 333 T Turn -62.98 135.13 48.0 2XMD ASG GLY A 336 334 T Turn 83.15 -2.50 38.5 2XMD ASG PHE A 337 335 T Turn -95.33 144.02 21.0 2XMD ASG SER A 338 336 T Turn -163.88 142.00 34.9 2XMD ASG LYS A 339 337 T Turn -66.75 -16.88 39.1 2XMD ASG ASP A 340 338 T Turn -101.52 11.46 117.0 2XMD ASG ASN A 341 339 T Turn -155.54 178.62 87.7 2XMD ASG ASN A 342 340 C Coil -81.03 -0.08 98.7 2XMD ASG SER A 343 341 C Coil 54.93 35.50 1.6 2XMD ASG ILE A 344 342 C Coil -64.36 116.94 63.3 2XMD ASG ILE A 345 343 C Coil -116.21 161.72 5.6 2XMD ASG THR A 346 344 C Coil -90.03 166.98 76.4 2XMD ASG ARG A 347 345 H AlphaHelix -42.58 -47.21 107.5 2XMD ASG LYS A 348 346 H AlphaHelix -69.59 -37.33 113.8 2XMD ASG GLU A 349 347 H AlphaHelix -68.00 -40.55 62.5 2XMD ASG PHE A 350 348 H AlphaHelix -58.26 -47.12 0.2 2XMD ASG GLN A 351 349 H AlphaHelix -59.54 -44.08 51.9 2XMD ASG GLU A 352 350 H AlphaHelix -65.78 -32.45 70.1 2XMD ASG GLY A 353 351 H AlphaHelix -57.09 -43.97 0.2 2XMD ASG LEU A 354 352 H AlphaHelix -67.97 -36.85 3.0 2XMD ASG LYS A 355 353 H AlphaHelix -58.58 -34.39 100.6 2XMD ASG ILE A 356 354 H AlphaHelix -72.73 -43.21 63.7 2XMD ASG PHE A 357 355 H AlphaHelix -83.68 -18.35 11.9 2XMD ASG PHE A 358 356 T Turn -130.57 62.93 5.9 2XMD ASG PRO A 359 357 T Turn -40.02 -53.41 41.0 2XMD ASG GLY A 360 358 T Turn -158.90 67.18 56.9 2XMD ASG VAL A 361 359 T Turn 37.27 83.23 34.3 2XMD ASG SER A 362 360 C Coil -50.05 155.97 54.8 2XMD ASG GLU A 363 361 H AlphaHelix -42.79 -51.78 153.6 2XMD ASG PHE A 364 362 H AlphaHelix -62.34 -42.73 131.7 2XMD ASG GLY A 365 363 H AlphaHelix -55.48 -46.64 0.0 2XMD ASG LYS A 366 364 H AlphaHelix -65.37 -43.13 37.3 2XMD ASG GLU A 367 365 H AlphaHelix -62.76 -29.34 89.6 2XMD ASG SER A 368 366 H AlphaHelix -78.40 -35.47 16.1 2XMD ASG ILE A 369 367 H AlphaHelix -60.06 -51.14 0.0 2XMD ASG LEU A 370 368 H AlphaHelix -52.95 -46.07 6.0 2XMD ASG PHE A 371 369 H AlphaHelix -64.38 -42.28 152.8 2XMD ASG HIS A 372 370 H AlphaHelix -69.74 -30.47 59.1 2XMD ASG TYR A 373 371 H AlphaHelix -106.72 -1.53 21.8 2XMD ASG THR A 374 372 H AlphaHelix -120.29 28.27 18.3 2XMD ASG ASP A 375 373 C Coil -91.45 97.65 128.7 2XMD ASG TRP A 376 374 C Coil -79.85 131.27 43.6 2XMD ASG VAL A 377 375 C Coil -117.29 87.33 142.1 2XMD ASG ASP A 378 376 T Turn -101.84 -110.08 86.8 2XMD ASG ASP A 379 377 T Turn -162.50 -27.37 102.8 2XMD ASG GLN A 380 378 T Turn -98.00 120.12 121.9 2XMD ASG ARG A 381 379 T Turn -69.53 122.32 89.7 2XMD ASG PRO A 382 380 C Coil -63.77 -19.06 83.3 2XMD ASG GLU A 383 381 H AlphaHelix -85.57 -5.17 48.3 2XMD ASG ASN A 384 382 H AlphaHelix -41.50 -53.26 12.1 2XMD ASG TYR A 385 383 H AlphaHelix -78.69 -35.85 38.5 2XMD ASG ARG A 386 384 H AlphaHelix -56.67 -47.11 30.5 2XMD ASG GLU A 387 385 H AlphaHelix -70.72 -40.49 71.1 2XMD ASG ALA A 388 386 H AlphaHelix -60.80 -40.97 4.6 2XMD ASG LEU A 389 387 H AlphaHelix -73.31 -33.59 0.0 2XMD ASG GLY A 390 388 H AlphaHelix -63.43 -43.11 3.8 2XMD ASG ASP A 391 389 H AlphaHelix -62.75 -45.89 48.9 2XMD ASG VAL A 392 390 H AlphaHelix -48.97 -53.02 0.0 2XMD ASG VAL A 393 391 H AlphaHelix -70.65 -40.15 0.2 2XMD ASG GLY A 394 392 H AlphaHelix -74.31 -37.17 2.1 2XMD ASG ASP A 395 393 H AlphaHelix -67.85 -45.99 0.4 2XMD ASG TYR A 396 394 H AlphaHelix -65.35 -47.73 60.7 2XMD ASG ASN A 397 395 H AlphaHelix -84.13 -24.43 8.4 2XMD ASG PHE A 398 396 H AlphaHelix -129.84 -50.91 3.7 2XMD ASG ILE A 399 397 H AlphaHelix -80.06 -54.30 0.8 2XMD ASG CYS A 400 398 H AlphaHelix -58.25 -47.53 1.2 2XMD ASG PRO A 401 399 H AlphaHelix -57.18 -35.80 10.9 2XMD ASG ALA A 402 400 H AlphaHelix -70.38 -41.37 0.2 2XMD ASG LEU A 403 401 H AlphaHelix -62.93 -43.48 8.4 2XMD ASG GLU A 404 402 H AlphaHelix -65.92 -41.09 46.7 2XMD ASG PHE A 405 403 H AlphaHelix -58.83 -45.48 0.0 2XMD ASG THR A 406 404 H AlphaHelix -68.23 -42.01 0.0 2XMD ASG LYS A 407 405 H AlphaHelix -69.18 -47.28 28.3 2XMD ASG LYS A 408 406 H AlphaHelix -60.55 -36.84 42.8 2XMD ASG PHE A 409 407 H AlphaHelix -71.46 -43.62 0.6 2XMD ASG SER A 410 408 H AlphaHelix -65.41 -22.59 13.7 2XMD ASG GLU A 411 409 H AlphaHelix -67.58 -11.45 104.1 2XMD ASG TRP A 412 410 C Coil -99.44 15.72 123.5 2XMD ASG GLY A 413 411 C Coil 112.12 -21.66 65.9 2XMD ASG ASN A 414 412 C Coil -82.14 149.65 34.0 2XMD ASG ASN A 415 413 C Coil -61.03 130.37 72.0 2XMD ASG ALA A 416 414 E Strand -133.40 148.02 0.0 2XMD ASG PHE A 417 415 E Strand -129.29 135.45 0.8 2XMD ASG PHE A 418 416 E Strand -122.74 132.60 0.2 2XMD ASG TYR A 419 417 E Strand -116.15 156.20 0.8 2XMD ASG TYR A 420 418 E Strand -118.52 109.29 17.8 2XMD ASG PHE A 421 419 E Strand -83.32 120.63 2.0 2XMD ASG GLU A 422 420 C Coil -132.06 30.70 54.5 2XMD ASG HIS A 423 421 C Coil -112.00 124.91 22.8 2XMD ASG ARG A 424 422 C Coil -90.65 116.13 43.1 2XMD ASG SER A 425 423 T Turn -46.93 134.51 5.4 2XMD ASG SER A 426 424 T Turn -67.50 -17.80 67.6 2XMD ASG LYS A 427 425 T Turn -100.96 1.71 87.4 2XMD ASG LEU A 428 426 T Turn -46.00 124.77 19.5 2XMD ASG PRO A 429 427 C Coil -85.26 -15.87 50.1 2XMD ASG TRP A 430 428 C Coil -77.40 154.74 9.0 2XMD ASG PRO A 431 429 C Coil -71.78 166.47 33.1 2XMD ASG GLU A 432 430 G 310Helix -60.80 -36.38 146.7 2XMD ASG TRP A 433 431 G 310Helix -65.84 -19.37 25.7 2XMD ASG MET A 434 432 G 310Helix -80.89 -12.00 0.0 2XMD ASG GLY A 435 433 T Turn 69.53 -141.31 12.3 2XMD ASG VAL A 436 434 T Turn -93.06 88.32 9.6 2XMD ASG MET A 437 435 B Bridge -72.21 157.61 2.6 2XMD ASG HIS A 438 436 T Turn -49.03 128.98 26.0 2XMD ASG GLY A 439 437 T Turn 94.86 -11.50 1.5 2XMD ASG TYR A 440 438 T Turn -100.78 15.92 7.2 2XMD ASG GLU A 441 439 H AlphaHelix -94.88 -20.85 2.0 2XMD ASG ILE A 442 440 H AlphaHelix -55.50 -45.60 0.2 2XMD ASG GLU A 443 441 H AlphaHelix -66.71 -24.79 12.8 2XMD ASG PHE A 444 442 H AlphaHelix -72.13 -42.58 0.0 2XMD ASG VAL A 445 443 H AlphaHelix -57.14 -38.63 1.8 2XMD ASG PHE A 446 444 H AlphaHelix -92.67 -4.31 0.2 2XMD ASG GLY A 447 445 C Coil 82.07 21.66 0.0 2XMD ASG LEU A 448 446 G 310Helix -58.49 -37.69 5.1 2XMD ASG PRO A 449 447 G 310Helix -68.59 -7.53 0.0 2XMD ASG LEU A 450 448 G 310Helix -69.14 -18.75 18.7 2XMD ASG GLU A 451 449 T Turn -79.48 102.97 43.2 2XMD ASG ARG A 452 450 T Turn -56.32 -39.14 119.0 2XMD ASG ARG A 453 451 T Turn -60.91 -1.68 209.4 2XMD ASG ASP A 454 452 T Turn -110.26 5.18 51.3 2XMD ASG GLN A 455 453 T Turn 74.41 18.29 155.9 2XMD ASG TYR A 456 454 C Coil -84.01 158.70 16.9 2XMD ASG THR A 457 455 C Coil -73.44 165.82 66.9 2XMD ASG LYS A 458 456 H AlphaHelix -61.09 -42.38 114.9 2XMD ASG ALA A 459 457 H AlphaHelix -63.95 -25.54 44.2 2XMD ASG GLU A 460 458 H AlphaHelix -81.44 -35.95 1.0 2XMD ASG GLU A 461 459 H AlphaHelix -55.52 -47.85 41.5 2XMD ASG ILE A 462 460 H AlphaHelix -56.76 -49.38 101.8 2XMD ASG LEU A 463 461 H AlphaHelix -61.62 -45.14 9.9 2XMD ASG SER A 464 462 H AlphaHelix -67.42 -38.10 0.0 2XMD ASG ARG A 465 463 H AlphaHelix -59.42 -41.02 86.5 2XMD ASG SER A 466 464 H AlphaHelix -72.88 -39.55 26.4 2XMD ASG ILE A 467 465 H AlphaHelix -63.75 -40.52 1.2 2XMD ASG VAL A 468 466 H AlphaHelix -64.61 -45.56 1.4 2XMD ASG LYS A 469 467 H AlphaHelix -58.58 -51.14 37.1 2XMD ASG ARG A 470 468 H AlphaHelix -54.40 -47.98 3.6 2XMD ASG TRP A 471 469 H AlphaHelix -62.76 -40.97 3.4 2XMD ASG ALA A 472 470 H AlphaHelix -64.26 -47.19 0.0 2XMD ASG ASN A 473 471 H AlphaHelix -65.32 -35.61 18.0 2XMD ASG PHE A 474 472 H AlphaHelix -61.82 -47.03 0.0 2XMD ASG ALA A 475 473 H AlphaHelix -63.41 -52.22 0.0 2XMD ASG LYS A 476 474 H AlphaHelix -67.42 -35.24 52.0 2XMD ASG TYR A 477 475 H AlphaHelix -128.44 -4.68 158.0 2XMD ASG GLY A 478 476 C Coil 70.79 23.04 5.9 2XMD ASG ASN A 479 477 T Turn -144.24 110.95 71.7 2XMD ASG PRO A 480 478 T Turn -88.20 58.93 0.0 2XMD ASG GLN A 481 479 T Turn -96.10 155.29 28.1 2XMD ASG GLU A 482 480 T Turn -109.06 109.84 16.4 2XMD ASG THR A 483 481 T Turn -95.05 -13.88 109.3 2XMD ASG GLN A 484 482 T Turn -93.02 -30.96 137.9 2XMD ASG ASN A 485 483 T Turn -109.86 43.83 117.5 2XMD ASG GLN A 486 484 T Turn 37.70 54.16 186.2 2XMD ASG SER A 487 485 C Coil -89.70 163.60 49.0 2XMD ASG THR A 488 486 C Coil -67.06 131.61 50.7 2XMD ASG SER A 489 487 C Coil -75.82 135.83 83.6 2XMD ASG TRP A 490 488 C Coil -92.97 109.45 2.6 2XMD ASG PRO A 491 489 C Coil -76.88 151.89 29.1 2XMD ASG VAL A 492 490 C Coil -72.52 151.98 30.9 2XMD ASG PHE A 493 491 B Bridge -87.10 120.98 4.2 2XMD ASG LYS A 494 492 T Turn -120.45 164.13 126.1 2XMD ASG SER A 495 493 T Turn -80.39 -23.73 35.1 2XMD ASG THR A 496 494 T Turn -64.61 -70.65 116.0 2XMD ASG GLU A 497 495 T Turn -80.43 -28.80 100.2 2XMD ASG GLN A 498 496 T Turn 57.60 40.78 36.4 2XMD ASG LYS A 499 497 E Strand -66.24 135.39 66.5 2XMD ASG TYR A 500 498 E Strand -135.86 166.32 16.6 2XMD ASG LEU A 501 499 E Strand -110.65 139.14 0.0 2XMD ASG THR A 502 500 E Strand -94.39 137.11 1.6 2XMD ASG LEU A 503 501 E Strand -111.98 109.36 3.0 2XMD ASG ASN A 504 502 T Turn -151.38 177.52 9.6 2XMD ASG THR A 505 503 T Turn -89.89 -11.18 57.1 2XMD ASG GLU A 506 504 T Turn -96.09 -86.31 167.3 2XMD ASG SER A 507 505 T Turn -120.45 114.23 44.6 2XMD ASG THR A 508 506 C Coil -65.46 116.06 43.0 2XMD ASG ARG A 509 507 E Strand -123.40 157.67 130.6 2XMD ASG ILE A 510 508 E Strand -91.58 129.90 63.9 2XMD ASG MET A 511 509 E Strand -136.21 163.10 79.6 2XMD ASG THR A 512 510 E Strand -129.76 142.40 83.4 2XMD ASG LYS A 513 511 T Turn 61.88 53.47 106.3 2XMD ASG LEU A 514 512 T Turn -47.98 131.91 10.7 2XMD ASG ARG A 515 513 T Turn 45.95 44.83 38.2 2XMD ASG ALA A 516 514 H AlphaHelix -57.32 -57.81 33.9 2XMD ASG GLN A 517 515 H AlphaHelix -53.99 -48.28 126.6 2XMD ASG GLN A 518 516 H AlphaHelix -64.07 -46.13 52.7 2XMD ASG CYS A 519 517 H AlphaHelix -70.68 -28.98 13.6 2XMD ASG ARG A 520 518 H AlphaHelix -56.33 -40.86 157.9 2XMD ASG PHE A 521 519 H AlphaHelix -61.86 -50.26 18.5 2XMD ASG TRP A 522 520 H AlphaHelix -74.02 -38.26 11.8 2XMD ASG THR A 523 521 H AlphaHelix -83.31 -40.12 45.4 2XMD ASG SER A 524 522 H AlphaHelix -102.49 -49.00 71.8 2XMD ASG PHE A 525 523 H AlphaHelix -77.41 -53.07 66.7 2XMD ASG PHE A 526 524 G 310Helix -52.56 -35.29 12.2 2XMD ASG PRO A 527 525 G 310Helix -68.37 -15.94 96.0 2XMD ASG LYS A 528 526 G 310Helix -79.63 -18.78 164.1 2XMD ASG VAL A 529 527 C Coil -77.04 360.00 82.6 2XMD REM 2XMD REM ------------------ Mainchain hydrogen bonds ------------------------ 2XMD REM 2XMD REM Definition of Stickle et al., J.Mol.Biol. 226:1143-1159, 1992 2XMD REM A1 is the angle between the planes of donor complex and O..N-C 2XMD REM A2 is the angle between the planes of acceptor complex and N..O=C 2XMD REM 2XMD HBT 326 2XMD HBI 0 2XMD HBC 326 2xmd.pdb A 527 2XMD REM 2XMD REM |--Residue 1--| |--Residue 2--| N-O N..O=C O..N-C A1 A2 2XMD ACC ILE A 4 1 -> GLY A 15 12 3.1 170.0 110.5 11.1 69.6 2XMD DNR ILE A 6 3 -> VAL A 13 10 3.0 165.2 110.5 7.3 8.2 2XMD ACC ILE A 6 3 -> VAL A 13 10 3.0 166.3 111.3 1.0 36.9 2XMD DNR THR A 8 5 -> GLY A 11 8 3.0 123.8 139.3 2.5 87.1 2XMD ACC THR A 8 5 -> GLY A 11 8 3.4 98.6 118.4 53.5 89.8 2XMD ACC ASN A 10 7 -> TRP A 52 49 3.0 165.1 117.4 14.6 62.3 2XMD DNR GLY A 11 8 -> THR A 8 5 3.4 98.6 118.4 53.5 89.8 2XMD ACC GLY A 11 8 -> THR A 8 5 3.0 123.8 139.3 2.5 87.1 2XMD ACC LYS A 12 9 -> TRP A 56 53 3.0 136.7 122.3 2.6 62.5 2XMD DNR VAL A 13 10 -> ILE A 6 3 3.0 166.3 111.3 1.0 36.9 2XMD ACC VAL A 13 10 -> ILE A 6 3 3.0 165.2 110.5 7.3 8.2 2XMD DNR ARG A 14 11 -> TRP A 56 53 3.0 156.8 108.3 3.0 80.0 2XMD ACC ARG A 14 11 -> ALA A 58 55 3.0 162.0 133.6 18.2 16.8 2XMD DNR GLY A 15 12 -> ILE A 4 1 3.1 170.0 110.5 11.1 69.6 2XMD DNR MET A 16 13 -> ALA A 27 24 3.0 161.2 107.2 15.8 19.6 2XMD ACC MET A 16 13 -> ALA A 27 24 3.1 160.9 115.5 0.7 3.6 2XMD DNR LEU A 18 15 -> VAL A 25 22 3.0 160.1 123.6 26.8 47.5 2XMD ACC LEU A 18 15 -> VAL A 25 22 3.0 138.5 103.7 8.6 47.8 2XMD DNR VAL A 20 17 -> GLY A 23 20 3.0 130.8 111.5 4.3 88.7 2XMD ACC VAL A 20 17 -> GLY A 23 20 3.0 120.9 128.9 38.2 77.7 2XMD DNR GLY A 23 20 -> VAL A 20 17 3.0 120.9 128.9 38.2 77.7 2XMD ACC GLY A 23 20 -> VAL A 20 17 3.0 130.8 111.5 4.3 88.7 2XMD ACC THR A 24 21 -> ALA A 101 98 3.4 144.8 133.7 34.0 58.4 2XMD DNR VAL A 25 22 -> LEU A 18 15 3.0 138.5 103.7 8.6 47.8 2XMD ACC VAL A 25 22 -> LEU A 18 15 3.0 160.1 123.6 26.8 47.5 2XMD DNR THR A 26 23 -> ILE A 99 96 3.0 164.3 119.7 31.5 2.6 2XMD ACC THR A 26 23 -> ILE A 99 96 3.0 162.0 115.3 3.1 12.8 2XMD DNR ALA A 27 24 -> MET A 16 13 3.1 160.9 115.5 0.7 3.6 2XMD ACC ALA A 27 24 -> MET A 16 13 3.0 161.2 107.2 15.8 19.6 2XMD DNR PHE A 28 25 -> VAL A 97 94 3.0 154.8 113.8 1.1 10.0 2XMD ACC PHE A 28 25 -> VAL A 97 94 3.0 155.7 111.1 2.1 28.7 2XMD DNR LEU A 29 26 -> ALA A 58 55 3.0 110.1 114.2 9.6 72.5 2XMD DNR ILE A 31 28 -> LEU A 95 92 3.0 162.6 117.0 21.8 2.0 2XMD ACC ILE A 31 28 -> LEU A 95 92 3.0 152.1 112.1 6.4 44.4 2XMD DNR TYR A 33 30 -> LEU A 93 90 3.2 148.9 115.9 11.3 52.1 2XMD DNR GLN A 35 32 -> GLN A 47 44 3.0 147.9 112.5 20.2 85.3 2XMD ACC PRO A 36 33 -> LEU A 38 35 3.0 91.1 94.2 17.4 36.4 2XMD DNR LEU A 38 35 -> PRO A 36 33 3.0 91.1 94.2 17.4 36.4 2XMD ACC LEU A 38 35 -> LEU A 41 38 3.1 118.6 133.0 1.0 69.0 2XMD ACC GLY A 39 36 -> ARG A 42 39 3.2 116.8 125.2 28.1 83.0 2XMD DNR LEU A 41 38 -> LEU A 38 35 3.1 118.6 133.0 1.0 69.0 2XMD ACC LEU A 41 38 -> LYS A 44 41 3.0 139.5 133.5 6.8 76.4 2XMD DNR ARG A 42 39 -> GLY A 39 36 3.2 116.8 125.2 28.1 83.0 2XMD DNR LYS A 44 41 -> LEU A 41 38 3.0 139.5 133.5 6.8 76.4 2XMD ACC GLN A 47 44 -> GLN A 35 32 3.0 147.9 112.5 20.2 85.3 2XMD DNR TRP A 52 49 -> ASN A 10 7 3.0 165.1 117.4 14.6 62.3 2XMD DNR TRP A 56 53 -> LYS A 12 9 3.0 136.7 122.3 2.6 62.5 2XMD ACC TRP A 56 53 -> ARG A 14 11 3.0 156.8 108.3 3.0 80.0 2XMD DNR ALA A 58 55 -> ARG A 14 11 3.0 162.0 133.6 18.2 16.8 2XMD ACC ALA A 58 55 -> LEU A 29 26 3.0 110.1 114.2 9.6 72.5 2XMD DNR SER A 64 61 -> ASP A 87 84 3.0 152.0 104.8 34.6 63.9 2XMD ACC SER A 64 61 -> SER A 89 86 3.0 171.7 108.0 14.6 19.2 2XMD ACC PHE A 73 70 -> PHE A 76 73 3.0 150.2 134.8 17.5 49.5 2XMD DNR PHE A 76 73 -> PHE A 73 70 3.0 150.2 134.8 17.5 49.5 2XMD ACC PHE A 76 73 -> SER A 79 76 3.2 129.9 124.1 28.3 66.3 2XMD ACC PHE A 76 73 -> GLU A 80 77 3.0 160.4 127.9 2.1 22.1 2XMD ACC HIS A 77 74 -> MET A 81 78 3.0 142.4 130.3 6.2 51.0 2XMD DNR SER A 79 76 -> PHE A 76 73 3.2 129.9 124.1 28.3 66.3 2XMD ACC SER A 79 76 -> TRP A 82 79 3.1 123.0 132.3 23.7 67.7 2XMD DNR GLU A 80 77 -> PHE A 76 73 3.0 160.4 127.9 2.1 22.1 2XMD ACC GLU A 80 77 -> ASN A 83 80 3.0 117.4 127.1 21.6 85.0 2XMD DNR MET A 81 78 -> HIS A 77 74 3.0 142.4 130.3 6.2 51.0 2XMD DNR TRP A 82 79 -> SER A 79 76 3.1 123.0 132.3 23.7 67.7 2XMD DNR ASN A 83 80 -> GLU A 80 77 3.0 117.4 127.1 21.6 85.0 2XMD ACC ASP A 87 84 -> SER A 64 61 3.0 152.0 104.8 34.6 63.9 2XMD DNR SER A 89 86 -> SER A 64 61 3.0 171.7 108.0 14.6 19.2 2XMD ACC CYS A 92 89 -> TYR A 94 91 3.0 99.1 91.1 26.6 36.3 2XMD ACC LEU A 93 90 -> TYR A 33 30 3.2 148.9 115.9 11.3 52.1 2XMD DNR TYR A 94 91 -> CYS A 92 89 3.0 99.1 91.1 26.6 36.3 2XMD ACC TYR A 94 91 -> ASN A 145 142 3.0 177.4 115.8 2.5 75.0 2XMD DNR LEU A 95 92 -> ILE A 31 28 3.0 152.1 112.1 6.4 44.4 2XMD ACC LEU A 95 92 -> ILE A 31 28 3.0 162.6 117.0 21.8 2.0 2XMD DNR ASN A 96 93 -> SER A 143 140 3.0 165.1 108.2 11.8 30.8 2XMD ACC ASN A 96 93 -> SER A 143 140 3.2 143.5 101.8 1.8 36.1 2XMD DNR VAL A 97 94 -> PHE A 28 25 3.0 155.7 111.1 2.1 28.7 2XMD ACC VAL A 97 94 -> PHE A 28 25 3.0 154.8 113.8 1.1 10.0 2XMD DNR TRP A 98 95 -> VAL A 141 138 3.0 158.0 114.4 14.6 13.4 2XMD ACC TRP A 98 95 -> VAL A 141 138 3.0 148.6 105.6 14.1 6.0 2XMD DNR ILE A 99 96 -> THR A 26 23 3.0 162.0 115.3 3.1 12.8 2XMD ACC ILE A 99 96 -> THR A 26 23 3.0 164.3 119.7 31.5 2.6 2XMD DNR ALA A 101 98 -> THR A 24 21 3.4 144.8 133.7 34.0 58.4 2XMD DNR ALA A 107 104 -> GLY A 186 183 3.0 147.6 116.8 1.0 22.4 2XMD ACC ALA A 107 104 -> ASN A 188 185 3.0 143.0 120.7 3.2 44.0 2XMD ACC THR A 108 105 -> ILE A 140 137 3.0 163.5 113.9 12.2 33.8 2XMD DNR VAL A 109 106 -> SER A 191 188 3.0 165.6 117.7 2.5 18.7 2XMD ACC VAL A 109 106 -> THR A 193 190 3.0 170.8 110.4 0.3 22.7 2XMD DNR LEU A 110 107 -> ILE A 140 137 3.0 170.8 113.7 2.1 24.0 2XMD ACC LEU A 110 107 -> VAL A 142 139 3.0 162.6 112.0 9.0 48.0 2XMD DNR ILE A 111 108 -> THR A 193 190 3.0 157.6 112.4 1.5 49.8 2XMD ACC ILE A 111 108 -> PHE A 195 192 3.0 153.6 115.1 5.9 87.9 2XMD DNR TRP A 112 109 -> VAL A 142 139 3.0 161.8 108.9 7.8 22.3 2XMD DNR ILE A 113 110 -> PHE A 195 192 3.0 155.9 104.8 13.0 16.2 2XMD ACC GLY A 116 113 -> GLN A 119 116 3.0 139.0 126.2 10.9 64.4 2XMD ACC GLY A 116 113 -> THR A 120 117 3.0 140.6 116.1 27.9 23.5 2XMD ACC PHE A 118 115 -> GLY A 149 146 3.0 145.2 116.7 1.0 11.8 2XMD DNR GLN A 119 116 -> GLY A 116 113 3.0 139.0 126.2 10.9 64.4 2XMD DNR THR A 120 117 -> GLY A 116 113 3.0 140.6 116.1 27.9 23.5 2XMD ACC LEU A 125 122 -> TYR A 128 125 3.0 124.5 133.6 8.2 77.0 2XMD DNR TYR A 128 125 -> LEU A 125 122 3.0 124.5 133.6 8.2 77.0 2XMD ACC GLY A 130 127 -> LEU A 133 130 3.2 122.3 115.7 53.8 81.1 2XMD ACC GLY A 130 127 -> ALA A 134 131 3.2 166.4 119.2 6.2 22.1 2XMD ACC LYS A 131 128 -> ARG A 135 132 3.0 149.0 123.7 18.7 68.3 2XMD ACC PHE A 132 129 -> VAL A 136 133 3.0 155.1 125.3 19.8 74.3 2XMD DNR LEU A 133 130 -> GLY A 130 127 3.2 122.3 115.7 53.8 81.1 2XMD ACC LEU A 133 130 -> GLU A 137 134 3.0 148.2 134.6 11.4 57.3 2XMD ACC LEU A 133 130 -> ARG A 138 135 3.5 153.7 94.5 49.9 2.3 2XMD DNR ALA A 134 131 -> GLY A 130 127 3.2 166.4 119.2 6.2 22.1 2XMD ACC ALA A 134 131 -> ARG A 138 135 3.0 129.5 152.4 32.1 66.0 2XMD DNR ARG A 135 132 -> LYS A 131 128 3.0 149.0 123.7 18.7 68.3 2XMD DNR VAL A 136 133 -> PHE A 132 129 3.0 155.1 125.3 19.8 74.3 2XMD DNR GLU A 137 134 -> LEU A 133 130 3.0 148.2 134.6 11.4 57.3 2XMD DNR ARG A 138 135 -> LEU A 133 130 3.5 153.7 94.5 49.9 2.3 2XMD DNR ARG A 138 135 -> ALA A 134 131 3.0 129.5 152.4 32.1 66.0 2XMD DNR ILE A 140 137 -> THR A 108 105 3.0 163.5 113.9 12.2 33.8 2XMD ACC ILE A 140 137 -> LEU A 110 107 3.0 170.8 113.7 2.1 24.0 2XMD DNR VAL A 141 138 -> TRP A 98 95 3.0 148.6 105.6 14.1 6.0 2XMD ACC VAL A 141 138 -> TRP A 98 95 3.0 158.0 114.4 14.6 13.4 2XMD DNR VAL A 142 139 -> LEU A 110 107 3.0 162.6 112.0 9.0 48.0 2XMD ACC VAL A 142 139 -> TRP A 112 109 3.0 161.8 108.9 7.8 22.3 2XMD DNR SER A 143 140 -> ASN A 96 93 3.2 143.5 101.8 1.8 36.1 2XMD ACC SER A 143 140 -> ASN A 96 93 3.0 165.1 108.2 11.8 30.8 2XMD DNR ASN A 145 142 -> TYR A 94 91 3.0 177.4 115.8 2.5 75.0 2XMD ACC VAL A 148 145 -> LEU A 151 148 3.5 135.8 120.2 50.7 52.8 2XMD ACC VAL A 148 145 -> GLY A 152 149 3.3 109.0 117.7 42.5 84.2 2XMD DNR GLY A 149 146 -> PHE A 118 115 3.0 145.2 116.7 1.0 11.8 2XMD ACC GLY A 149 146 -> GLY A 152 149 3.0 121.5 135.3 25.6 72.7 2XMD ACC GLY A 149 146 -> PHE A 153 150 3.0 160.9 110.0 38.6 8.0 2XMD ACC ALA A 150 147 -> PHE A 153 150 3.4 95.3 114.1 35.4 87.6 2XMD ACC ALA A 150 147 -> LEU A 154 151 3.0 124.6 135.4 22.8 43.7 2XMD DNR LEU A 151 148 -> VAL A 148 145 3.5 135.8 120.2 50.7 52.8 2XMD DNR GLY A 152 149 -> VAL A 148 145 3.3 109.0 117.7 42.5 84.2 2XMD DNR GLY A 152 149 -> GLY A 149 146 3.0 121.5 135.3 25.6 72.7 2XMD ACC GLY A 152 149 -> GLY A 167 164 3.0 132.4 112.7 13.7 13.0 2XMD DNR PHE A 153 150 -> GLY A 149 146 3.0 160.9 110.0 38.6 8.0 2XMD DNR PHE A 153 150 -> ALA A 150 147 3.4 95.3 114.1 35.4 87.6 2XMD DNR LEU A 154 151 -> ALA A 150 147 3.0 124.6 135.4 22.8 43.7 2XMD DNR LEU A 156 153 -> ALA A 162 159 3.0 176.8 119.2 3.2 28.3 2XMD ACC LEU A 156 153 -> ASN A 159 156 3.2 154.6 130.8 21.9 30.5 2XMD DNR ASN A 159 156 -> LEU A 156 153 3.2 154.6 130.8 21.9 30.5 2XMD ACC ASN A 159 156 -> ALA A 162 159 3.0 133.8 128.3 15.6 71.3 2XMD DNR ALA A 162 159 -> ASN A 159 156 3.0 133.8 128.3 15.6 71.3 2XMD ACC ALA A 162 159 -> LEU A 156 153 3.0 176.8 119.2 3.2 28.3 2XMD ACC ASN A 165 162 -> LEU A 168 165 3.0 127.3 128.5 48.2 82.3 2XMD ACC ASN A 165 162 -> PHE A 169 166 3.0 158.6 105.9 17.5 12.3 2XMD ACC MET A 166 163 -> PHE A 169 166 3.0 108.5 124.4 56.7 88.3 2XMD ACC MET A 166 163 -> ASP A 170 167 3.0 158.8 112.0 24.8 48.2 2XMD DNR GLY A 167 164 -> GLY A 152 149 3.0 132.4 112.7 13.7 13.0 2XMD ACC GLY A 167 164 -> ASP A 170 167 3.4 92.1 125.9 57.3 88.6 2XMD ACC GLY A 167 164 -> GLN A 171 168 3.1 141.0 119.0 8.7 74.3 2XMD DNR LEU A 168 165 -> ASN A 165 162 3.0 127.3 128.5 48.2 82.3 2XMD ACC LEU A 168 165 -> GLN A 172 169 3.0 153.2 118.7 14.5 53.9 2XMD DNR PHE A 169 166 -> ASN A 165 162 3.0 158.6 105.9 17.5 12.3 2XMD DNR PHE A 169 166 -> MET A 166 163 3.0 108.5 124.4 56.7 88.3 2XMD ACC PHE A 169 166 -> LEU A 173 170 3.0 146.9 120.2 23.8 78.6 2XMD DNR ASP A 170 167 -> MET A 166 163 3.0 158.8 112.0 24.8 48.2 2XMD DNR ASP A 170 167 -> GLY A 167 164 3.4 92.1 125.9 57.3 88.6 2XMD ACC ASP A 170 167 -> LEU A 173 170 3.0 113.0 119.4 55.1 87.4 2XMD ACC ASP A 170 167 -> ALA A 174 171 3.0 162.2 113.2 22.3 42.1 2XMD DNR GLN A 171 168 -> GLY A 167 164 3.1 141.0 119.0 8.7 74.3 2XMD ACC GLN A 171 168 -> ALA A 174 171 3.1 112.8 127.1 51.9 83.4 2XMD ACC GLN A 171 168 -> LEU A 175 172 3.1 158.3 113.3 13.3 36.2 2XMD DNR GLN A 172 169 -> LEU A 168 165 3.0 153.2 118.7 14.5 53.9 2XMD ACC GLN A 172 169 -> GLN A 176 173 3.0 153.1 112.2 21.7 46.2 2XMD DNR LEU A 173 170 -> PHE A 169 166 3.0 146.9 120.2 23.8 78.6 2XMD DNR LEU A 173 170 -> ASP A 170 167 3.0 113.0 119.4 55.1 87.4 2XMD ACC LEU A 173 170 -> GLN A 176 173 3.3 99.0 122.0 58.9 87.7 2XMD ACC LEU A 173 170 -> TRP A 177 174 3.0 147.1 118.0 27.8 69.9 2XMD DNR ALA A 174 171 -> ASP A 170 167 3.0 162.2 113.2 22.3 42.1 2XMD DNR ALA A 174 171 -> GLN A 171 168 3.1 112.8 127.1 51.9 83.4 2XMD ACC ALA A 174 171 -> TRP A 177 174 3.0 107.4 123.9 56.8 89.2 2XMD ACC ALA A 174 171 -> VAL A 178 175 3.0 155.4 111.6 15.8 54.0 2XMD DNR LEU A 175 172 -> GLN A 171 168 3.1 158.3 113.3 13.3 36.2 2XMD ACC LEU A 175 172 -> GLN A 179 176 3.0 153.9 113.5 4.7 43.6 2XMD DNR GLN A 176 173 -> GLN A 172 169 3.0 153.1 112.2 21.7 46.2 2XMD DNR GLN A 176 173 -> LEU A 173 170 3.3 99.0 122.0 58.9 87.7 2XMD ACC GLN A 176 173 -> LYS A 180 177 3.0 162.4 118.7 16.3 67.2 2XMD DNR TRP A 177 174 -> LEU A 173 170 3.0 147.1 118.0 27.8 69.9 2XMD DNR TRP A 177 174 -> ALA A 174 171 3.0 107.4 123.9 56.8 89.2 2XMD ACC TRP A 177 174 -> LYS A 180 177 3.3 103.2 121.1 59.7 81.1 2XMD ACC TRP A 177 174 -> ASN A 181 178 3.0 157.5 120.0 44.6 65.6 2XMD DNR VAL A 178 175 -> ALA A 174 171 3.0 155.4 111.6 15.8 54.0 2XMD ACC VAL A 178 175 -> ASN A 181 178 3.2 114.4 116.1 30.6 84.5 2XMD ACC VAL A 178 175 -> ILE A 182 179 3.0 142.9 130.9 2.5 23.6 2XMD DNR GLN A 179 176 -> LEU A 175 172 3.0 153.9 113.5 4.7 43.6 2XMD DNR LYS A 180 177 -> GLN A 176 173 3.0 162.4 118.7 16.3 67.2 2XMD DNR LYS A 180 177 -> TRP A 177 174 3.3 103.2 121.1 59.7 81.1 2XMD DNR ASN A 181 178 -> TRP A 177 174 3.0 157.5 120.0 44.6 65.6 2XMD DNR ASN A 181 178 -> VAL A 178 175 3.2 114.4 116.1 30.6 84.5 2XMD ACC ASN A 181 178 -> ALA A 184 181 3.0 135.7 127.7 33.8 64.0 2XMD DNR ILE A 182 179 -> VAL A 178 175 3.0 142.9 130.9 2.5 23.6 2XMD ACC ILE A 182 179 -> PHE A 185 182 3.1 109.3 131.5 34.5 84.4 2XMD ACC ILE A 182 179 -> GLY A 187 184 3.0 144.8 140.0 0.9 61.5 2XMD ACC ALA A 183 180 -> GLY A 186 183 3.0 113.0 135.4 10.2 86.3 2XMD DNR ALA A 184 181 -> ASN A 181 178 3.0 135.7 127.7 33.8 64.0 2XMD DNR PHE A 185 182 -> ILE A 182 179 3.1 109.3 131.5 34.5 84.4 2XMD DNR GLY A 186 183 -> ALA A 183 180 3.0 113.0 135.4 10.2 86.3 2XMD ACC GLY A 186 183 -> ALA A 107 104 3.0 147.6 116.8 1.0 22.4 2XMD DNR GLY A 187 184 -> ILE A 182 179 3.0 144.8 140.0 0.9 61.5 2XMD DNR ASN A 188 185 -> ALA A 107 104 3.0 143.0 120.7 3.2 44.0 2XMD ACC ASN A 188 185 -> SER A 191 188 3.0 130.9 129.5 7.3 85.8 2XMD DNR SER A 191 188 -> ASN A 188 185 3.0 130.9 129.5 7.3 85.8 2XMD ACC SER A 191 188 -> VAL A 109 106 3.0 165.6 117.7 2.5 18.7 2XMD ACC VAL A 192 189 -> THR A 218 215 3.0 150.5 134.2 1.0 17.5 2XMD ACC VAL A 192 189 -> ARG A 219 216 3.2 151.7 106.2 8.3 32.6 2XMD DNR THR A 193 190 -> VAL A 109 106 3.0 170.8 110.4 0.3 22.7 2XMD ACC THR A 193 190 -> ILE A 111 108 3.0 157.6 112.4 1.5 49.8 2XMD DNR LEU A 194 191 -> ARG A 219 216 3.1 143.6 107.8 11.5 55.5 2XMD ACC LEU A 194 191 -> ILE A 221 218 3.0 163.0 114.0 17.1 45.1 2XMD DNR PHE A 195 192 -> ILE A 111 108 3.0 153.6 115.1 5.9 87.9 2XMD ACC PHE A 195 192 -> ILE A 113 110 3.0 155.9 104.8 13.0 16.2 2XMD DNR GLY A 196 193 -> ILE A 221 218 3.5 148.3 99.5 30.0 89.7 2XMD ACC GLY A 196 193 -> GLN A 223 220 3.0 165.1 133.6 6.4 21.9 2XMD ACC GLU A 197 194 -> GLY A 200 197 3.0 128.2 132.0 32.3 77.5 2XMD DNR SER A 198 195 -> GLN A 223 220 3.0 171.0 104.4 11.2 12.8 2XMD DNR SER A 198 195 -> SER A 224 221 3.1 114.1 165.8 18.2 83.2 2XMD ACC SER A 198 195 -> ALA A 201 198 3.0 118.9 120.5 57.6 87.9 2XMD ACC SER A 198 195 -> ALA A 202 199 3.0 165.0 112.5 5.0 12.9 2XMD ACC ALA A 199 196 -> SER A 203 200 3.0 148.6 121.5 20.4 69.5 2XMD DNR GLY A 200 197 -> GLU A 197 194 3.0 128.2 132.0 32.3 77.5 2XMD ACC GLY A 200 197 -> VAL A 204 201 3.0 146.1 114.6 21.7 56.6 2XMD DNR ALA A 201 198 -> SER A 198 195 3.0 118.9 120.5 57.6 87.9 2XMD ACC ALA A 201 198 -> SER A 205 202 3.0 157.4 116.2 16.7 60.2 2XMD DNR ALA A 202 199 -> SER A 198 195 3.0 165.0 112.5 5.0 12.9 2XMD ACC ALA A 202 199 -> LEU A 206 203 3.0 156.9 112.8 25.0 52.3 2XMD DNR SER A 203 200 -> ALA A 199 196 3.0 148.6 121.5 20.4 69.5 2XMD ACC SER A 203 200 -> LEU A 206 203 3.1 109.8 123.0 52.3 87.1 2XMD ACC SER A 203 200 -> HIS A 207 204 3.0 160.5 112.8 17.7 51.7 2XMD DNR VAL A 204 201 -> GLY A 200 197 3.0 146.1 114.6 21.7 56.6 2XMD ACC VAL A 204 201 -> HIS A 207 204 3.1 111.6 122.5 55.6 87.6 2XMD ACC VAL A 204 201 -> LEU A 208 205 3.1 158.1 111.2 13.9 44.0 2XMD DNR SER A 205 202 -> ALA A 201 198 3.0 157.4 116.2 16.7 60.2 2XMD ACC SER A 205 202 -> LEU A 209 206 3.2 145.3 103.4 28.1 42.3 2XMD DNR LEU A 206 203 -> ALA A 202 199 3.0 156.9 112.8 25.0 52.3 2XMD DNR LEU A 206 203 -> SER A 203 200 3.1 109.8 123.0 52.3 87.1 2XMD ACC LEU A 206 203 -> LEU A 209 206 3.0 102.8 129.6 51.0 89.7 2XMD ACC LEU A 206 203 -> SER A 210 207 3.0 154.3 109.1 45.1 52.8 2XMD DNR HIS A 207 204 -> SER A 203 200 3.0 160.5 112.8 17.7 51.7 2XMD DNR HIS A 207 204 -> VAL A 204 201 3.1 111.6 122.5 55.6 87.6 2XMD ACC HIS A 207 204 -> SER A 210 207 3.2 107.1 117.8 31.7 78.6 2XMD DNR LEU A 208 205 -> VAL A 204 201 3.1 158.1 111.2 13.9 44.0 2XMD ACC LEU A 208 205 -> LYS A 313 310 3.0 152.3 114.2 4.7 42.4 2XMD DNR LEU A 209 206 -> SER A 205 202 3.2 145.3 103.4 28.1 42.3 2XMD DNR LEU A 209 206 -> LEU A 206 203 3.0 102.8 129.6 51.0 89.7 2XMD DNR SER A 210 207 -> LEU A 206 203 3.0 154.3 109.1 45.1 52.8 2XMD DNR SER A 210 207 -> HIS A 207 204 3.2 107.1 117.8 31.7 78.6 2XMD ACC SER A 210 207 -> SER A 213 210 3.0 126.3 127.6 31.7 84.5 2XMD ACC SER A 210 207 -> HIS A 214 211 3.4 162.6 102.0 38.6 5.9 2XMD ACC PRO A 211 208 -> HIS A 214 211 3.4 109.1 123.3 24.0 89.8 2XMD DNR SER A 213 210 -> SER A 210 207 3.0 126.3 127.6 31.7 84.5 2XMD ACC SER A 213 210 -> LEU A 216 213 3.0 128.2 129.1 5.5 76.6 2XMD DNR HIS A 214 211 -> SER A 210 207 3.4 162.6 102.0 38.6 5.9 2XMD DNR HIS A 214 211 -> PRO A 211 208 3.4 109.1 123.3 24.0 89.8 2XMD DNR LEU A 216 213 -> SER A 213 210 3.0 128.2 129.1 5.5 76.6 2XMD DNR THR A 218 215 -> VAL A 192 189 3.0 150.5 134.2 1.0 17.5 2XMD DNR ARG A 219 216 -> VAL A 192 189 3.2 151.7 106.2 8.3 32.6 2XMD ACC ARG A 219 216 -> LEU A 194 191 3.1 143.6 107.8 11.5 55.5 2XMD ACC ALA A 220 217 -> LEU A 318 315 3.1 154.1 104.8 11.2 16.8 2XMD DNR ILE A 221 218 -> LEU A 194 191 3.0 163.0 114.0 17.1 45.1 2XMD ACC ILE A 221 218 -> GLY A 196 193 3.5 148.3 99.5 30.0 89.7 2XMD DNR LEU A 222 219 -> LEU A 318 315 3.0 171.8 112.8 1.7 22.4 2XMD ACC LEU A 222 219 -> GLY A 320 317 3.0 162.8 108.9 8.1 62.2 2XMD DNR GLN A 223 220 -> GLY A 196 193 3.0 165.1 133.6 6.4 21.9 2XMD ACC GLN A 223 220 -> SER A 198 195 3.0 171.0 104.4 11.2 12.8 2XMD DNR SER A 224 221 -> GLY A 320 317 3.0 155.1 133.4 0.1 74.3 2XMD ACC SER A 224 221 -> SER A 198 195 3.1 114.1 165.8 18.2 83.2 2XMD ACC SER A 226 223 -> ALA A 229 226 3.0 131.5 128.8 1.7 70.3 2XMD DNR ALA A 229 226 -> SER A 226 223 3.0 131.5 128.8 1.7 70.3 2XMD ACC ALA A 229 226 -> ALA A 232 229 3.0 129.4 127.2 9.8 79.3 2XMD DNR ALA A 232 229 -> ALA A 229 226 3.0 129.4 127.2 9.8 79.3 2XMD DNR THR A 234 231 -> PRO A 292 289 3.0 170.5 118.1 32.5 16.4 2XMD ACC SER A 235 232 -> ALA A 239 236 3.0 157.2 123.0 11.2 66.6 2XMD ACC LEU A 236 233 -> ARG A 240 237 3.1 147.3 123.5 18.8 73.3 2XMD ACC TYR A 237 234 -> ARG A 240 237 3.2 114.3 121.5 56.4 78.6 2XMD ACC TYR A 237 234 -> ASN A 241 238 3.0 159.5 117.8 18.7 31.0 2XMD ACC GLU A 238 235 -> ASN A 241 238 3.1 112.8 117.2 55.4 85.5 2XMD ACC GLU A 238 235 -> ARG A 242 239 3.1 161.2 118.1 23.2 54.8 2XMD DNR ALA A 239 236 -> SER A 235 232 3.0 157.2 123.0 11.2 66.6 2XMD ACC ALA A 239 236 -> ARG A 242 239 3.2 107.0 122.2 51.9 81.1 2XMD ACC ALA A 239 236 -> THR A 243 240 3.0 161.5 121.3 2.5 71.7 2XMD DNR ARG A 240 237 -> LEU A 236 233 3.1 147.3 123.5 18.8 73.3 2XMD DNR ARG A 240 237 -> TYR A 237 234 3.2 114.3 121.5 56.4 78.6 2XMD ACC ARG A 240 237 -> LEU A 244 241 3.1 153.9 125.7 11.7 78.0 2XMD DNR ASN A 241 238 -> TYR A 237 234 3.0 159.5 117.8 18.7 31.0 2XMD DNR ASN A 241 238 -> GLU A 238 235 3.1 112.8 117.2 55.4 85.5 2XMD ACC ASN A 241 238 -> ASN A 245 242 3.0 157.5 123.0 10.6 33.3 2XMD DNR ARG A 242 239 -> GLU A 238 235 3.1 161.2 118.1 23.2 54.8 2XMD DNR ARG A 242 239 -> ALA A 239 236 3.2 107.0 122.2 51.9 81.1 2XMD ACC ARG A 242 239 -> LEU A 246 243 3.0 157.0 122.5 3.4 89.7 2XMD DNR THR A 243 240 -> ALA A 239 236 3.0 161.5 121.3 2.5 71.7 2XMD ACC THR A 243 240 -> ALA A 247 244 3.0 156.6 119.6 6.8 55.2 2XMD DNR LEU A 244 241 -> ARG A 240 237 3.1 153.9 125.7 11.7 78.0 2XMD ACC LEU A 244 241 -> LYS A 248 245 3.0 156.0 118.4 11.2 54.6 2XMD DNR ASN A 245 242 -> ASN A 241 238 3.0 157.5 123.0 10.6 33.3 2XMD ACC ASN A 245 242 -> LEU A 249 246 3.0 157.0 116.1 22.3 56.1 2XMD DNR LEU A 246 243 -> ARG A 242 239 3.0 157.0 122.5 3.4 89.7 2XMD ACC LEU A 246 243 -> LEU A 249 246 3.1 110.4 121.7 54.6 84.8 2XMD ACC LEU A 246 243 -> THR A 250 247 3.0 160.2 113.0 31.8 50.1 2XMD DNR ALA A 247 244 -> THR A 243 240 3.0 156.6 119.6 6.8 55.2 2XMD ACC ALA A 247 244 -> THR A 250 247 3.2 113.8 123.5 40.9 84.7 2XMD ACC ALA A 247 244 -> CYS A 252 249 3.0 145.9 131.3 20.8 58.3 2XMD DNR LYS A 248 245 -> LEU A 244 241 3.0 156.0 118.4 11.2 54.6 2XMD ACC LYS A 248 245 -> GLY A 251 248 3.3 110.6 136.4 6.5 75.9 2XMD DNR LEU A 249 246 -> ASN A 245 242 3.0 157.0 116.1 22.3 56.1 2XMD DNR LEU A 249 246 -> LEU A 246 243 3.1 110.4 121.7 54.6 84.8 2XMD DNR THR A 250 247 -> LEU A 246 243 3.0 160.2 113.0 31.8 50.1 2XMD DNR THR A 250 247 -> ALA A 247 244 3.2 113.8 123.5 40.9 84.7 2XMD DNR GLY A 251 248 -> LYS A 248 245 3.3 110.6 136.4 6.5 75.9 2XMD DNR CYS A 252 249 -> ALA A 247 244 3.0 145.9 131.3 20.8 58.3 2XMD ACC ASN A 256 253 -> GLU A 259 256 3.1 113.9 141.1 20.2 64.6 2XMD ACC ASN A 256 253 -> ILE A 260 257 3.3 154.6 102.0 17.9 15.8 2XMD ACC GLU A 257 254 -> ILE A 260 257 3.2 108.3 118.9 52.6 87.0 2XMD ACC GLU A 257 254 -> ILE A 261 258 3.5 148.7 112.5 20.6 56.3 2XMD ACC THR A 258 255 -> ILE A 261 258 3.5 95.8 132.2 54.6 69.9 2XMD ACC THR A 258 255 -> LYS A 262 259 3.2 138.0 111.0 32.9 40.8 2XMD DNR GLU A 259 256 -> ASN A 256 253 3.1 113.9 141.1 20.2 64.6 2XMD ACC GLU A 259 256 -> LYS A 262 259 3.5 96.2 116.6 52.2 82.5 2XMD ACC GLU A 259 256 -> CYS A 263 260 3.2 143.1 123.4 19.1 86.3 2XMD DNR ILE A 260 257 -> ASN A 256 253 3.3 154.6 102.0 17.9 15.8 2XMD DNR ILE A 260 257 -> GLU A 257 254 3.2 108.3 118.9 52.6 87.0 2XMD ACC ILE A 260 257 -> CYS A 263 260 3.3 105.7 124.7 58.7 76.5 2XMD ACC ILE A 260 257 -> LEU A 264 261 3.0 154.4 117.3 15.0 43.2 2XMD DNR ILE A 261 258 -> GLU A 257 254 3.5 148.7 112.5 20.6 56.3 2XMD DNR ILE A 261 258 -> THR A 258 255 3.5 95.8 132.2 54.6 69.9 2XMD ACC ILE A 261 258 -> ARG A 265 262 3.0 145.8 115.6 28.6 61.9 2XMD DNR LYS A 262 259 -> THR A 258 255 3.2 138.0 111.0 32.9 40.8 2XMD DNR LYS A 262 259 -> GLU A 259 256 3.5 96.2 116.6 52.2 82.5 2XMD ACC LYS A 262 259 -> ARG A 265 262 3.3 102.6 127.5 53.4 83.3 2XMD ACC LYS A 262 259 -> ASN A 266 263 3.5 146.9 97.5 36.5 53.4 2XMD DNR CYS A 263 260 -> GLU A 259 256 3.2 143.1 123.4 19.1 86.3 2XMD DNR CYS A 263 260 -> ILE A 260 257 3.3 105.7 124.7 58.7 76.5 2XMD ACC CYS A 263 260 -> ASN A 266 263 3.1 116.9 130.9 23.9 80.7 2XMD ACC CYS A 263 260 -> LYS A 267 264 3.5 150.5 103.8 33.2 28.7 2XMD DNR LEU A 264 261 -> ILE A 260 257 3.0 154.4 117.3 15.0 43.2 2XMD ACC LEU A 264 261 -> LYS A 267 264 3.2 106.5 129.0 37.5 86.7 2XMD DNR ARG A 265 262 -> ILE A 261 258 3.0 145.8 115.6 28.6 61.9 2XMD DNR ARG A 265 262 -> LYS A 262 259 3.3 102.6 127.5 53.4 83.3 2XMD DNR ASN A 266 263 -> LYS A 262 259 3.5 146.9 97.5 36.5 53.4 2XMD DNR ASN A 266 263 -> CYS A 263 260 3.1 116.9 130.9 23.9 80.7 2XMD DNR LYS A 267 264 -> CYS A 263 260 3.5 150.5 103.8 33.2 28.7 2XMD DNR LYS A 267 264 -> LEU A 264 261 3.2 106.5 129.0 37.5 86.7 2XMD ACC ASP A 268 265 -> GLU A 271 268 3.0 141.4 121.0 36.6 71.6 2XMD ACC ASP A 268 265 -> ILE A 272 269 3.4 159.2 108.1 4.5 49.6 2XMD ACC PRO A 269 266 -> ILE A 272 269 3.2 113.5 120.6 58.4 81.1 2XMD ACC PRO A 269 266 -> LEU A 273 270 3.0 161.6 117.4 12.4 33.6 2XMD ACC GLN A 270 267 -> LEU A 274 271 3.0 150.7 123.3 20.3 75.7 2XMD DNR GLU A 271 268 -> ASP A 268 265 3.0 141.4 121.0 36.6 71.6 2XMD DNR ILE A 272 269 -> ASP A 268 265 3.4 159.2 108.1 4.5 49.6 2XMD DNR ILE A 272 269 -> PRO A 269 266 3.2 113.5 120.6 58.4 81.1 2XMD ACC ILE A 272 269 -> ASN A 275 272 3.2 116.2 130.4 36.4 74.7 2XMD ACC ILE A 272 269 -> GLU A 276 273 3.3 160.9 111.8 30.3 29.0 2XMD DNR LEU A 273 270 -> PRO A 269 266 3.0 161.6 117.4 12.4 33.6 2XMD ACC LEU A 273 270 -> GLU A 276 273 3.5 105.0 117.8 41.5 85.7 2XMD DNR LEU A 274 271 -> GLN A 270 267 3.0 150.7 123.3 20.3 75.7 2XMD DNR ASN A 275 272 -> ILE A 272 269 3.2 116.2 130.4 36.4 74.7 2XMD ACC ASN A 275 272 -> PHE A 278 275 3.0 132.1 130.5 11.0 69.1 2XMD DNR GLU A 276 273 -> ILE A 272 269 3.3 160.9 111.8 30.3 29.0 2XMD DNR GLU A 276 273 -> LEU A 273 270 3.5 105.0 117.8 41.5 85.7 2XMD ACC GLU A 276 273 -> VAL A 279 276 3.5 108.9 124.9 3.4 79.0 2XMD DNR PHE A 278 275 -> ASN A 275 272 3.0 132.1 130.5 11.0 69.1 2XMD DNR VAL A 279 276 -> GLU A 276 273 3.5 108.9 124.9 3.4 79.0 2XMD ACC THR A 284 281 -> SER A 287 284 3.0 119.6 128.6 1.6 88.6 2XMD DNR SER A 287 284 -> THR A 284 281 3.0 119.6 128.6 1.6 88.6 2XMD ACC PRO A 292 289 -> THR A 234 231 3.0 170.5 118.1 32.5 16.4 2XMD DNR GLY A 296 293 -> LEU A 299 296 3.0 149.9 134.2 38.0 79.6 2XMD ACC LEU A 299 296 -> GLY A 296 293 3.0 149.9 134.2 38.0 79.6 2XMD ACC MET A 302 299 -> ILE A 305 302 3.0 128.5 127.5 39.4 68.7 2XMD ACC MET A 302 299 -> LEU A 306 303 3.4 155.5 105.1 4.4 18.9 2XMD ACC PRO A 303 300 -> LEU A 307 304 3.0 163.7 121.4 9.1 86.6 2XMD ACC ASP A 304 301 -> GLU A 308 305 3.0 148.8 126.5 8.5 70.7 2XMD DNR ILE A 305 302 -> MET A 302 299 3.0 128.5 127.5 39.4 68.7 2XMD ACC ILE A 305 302 -> LEU A 309 306 3.0 158.4 120.3 28.4 69.3 2XMD DNR LEU A 306 303 -> MET A 302 299 3.4 155.5 105.1 4.4 18.9 2XMD ACC LEU A 306 303 -> LEU A 309 306 3.4 105.1 123.0 46.9 79.0 2XMD ACC LEU A 306 303 -> GLY A 310 307 3.0 153.0 109.4 51.7 68.3 2XMD ACC LEU A 306 303 -> GLN A 311 308 3.0 149.2 121.8 16.6 48.2 2XMD DNR LEU A 307 304 -> PRO A 303 300 3.0 163.7 121.4 9.1 86.6 2XMD ACC LEU A 307 304 -> GLY A 310 307 3.1 114.6 131.9 19.9 83.6 2XMD DNR GLU A 308 305 -> ASP A 304 301 3.0 148.8 126.5 8.5 70.7 2XMD DNR LEU A 309 306 -> ILE A 305 302 3.0 158.4 120.3 28.4 69.3 2XMD DNR LEU A 309 306 -> LEU A 306 303 3.4 105.1 123.0 46.9 79.0 2XMD DNR GLY A 310 307 -> LEU A 306 303 3.0 153.0 109.4 51.7 68.3 2XMD DNR GLY A 310 307 -> LEU A 307 304 3.1 114.6 131.9 19.9 83.6 2XMD DNR GLN A 311 308 -> LEU A 306 303 3.0 149.2 121.8 16.6 48.2 2XMD DNR LYS A 313 310 -> LEU A 208 205 3.0 152.3 114.2 4.7 42.4 2XMD DNR ILE A 317 314 -> ASN A 415 412 3.2 152.5 99.9 2.5 16.1 2XMD ACC ILE A 317 314 -> PHE A 417 414 3.0 156.2 106.9 18.7 39.9 2XMD DNR LEU A 318 315 -> ALA A 220 217 3.1 154.1 104.8 11.2 16.8 2XMD ACC LEU A 318 315 -> LEU A 222 219 3.0 171.8 112.8 1.7 22.4 2XMD DNR VAL A 319 316 -> PHE A 417 414 3.0 169.5 113.7 3.8 14.7 2XMD ACC VAL A 319 316 -> TYR A 419 416 3.0 154.4 101.8 1.8 22.5 2XMD DNR GLY A 320 317 -> LEU A 222 219 3.0 162.8 108.9 8.1 62.2 2XMD ACC GLY A 320 317 -> SER A 224 221 3.0 155.1 133.4 0.1 74.3 2XMD DNR VAL A 321 318 -> TYR A 419 416 3.1 152.7 103.6 5.7 76.7 2XMD ACC VAL A 321 318 -> PHE A 421 418 3.0 156.5 117.1 6.3 22.3 2XMD DNR LYS A 323 320 -> PHE A 421 418 3.0 168.8 113.3 37.6 37.6 2XMD DNR ASP A 324 321 -> VAL A 436 433 3.0 140.4 147.2 10.8 36.8 2XMD ACC GLY A 326 323 -> PHE A 329 326 3.1 129.5 130.8 20.8 60.5 2XMD ACC THR A 327 324 -> LEU A 330 327 3.0 135.1 127.6 9.7 85.1 2XMD DNR PHE A 329 326 -> GLY A 326 323 3.1 129.5 130.8 20.8 60.5 2XMD ACC PHE A 329 326 -> TYR A 332 329 3.4 116.0 131.1 3.7 73.3 2XMD DNR LEU A 330 327 -> THR A 327 324 3.0 135.1 127.6 9.7 85.1 2XMD ACC LEU A 330 327 -> ALA A 334 331 3.4 142.0 131.7 45.8 58.6 2XMD DNR TYR A 332 329 -> PHE A 329 326 3.4 116.0 131.1 3.7 73.3 2XMD DNR ALA A 334 331 -> LEU A 330 327 3.4 142.0 131.7 45.8 58.6 2XMD ACC THR A 346 343 -> GLU A 349 346 3.0 115.6 122.8 55.0 88.4 2XMD ACC THR A 346 343 -> PHE A 350 347 3.0 164.6 115.7 11.5 39.3 2XMD ACC ARG A 347 344 -> GLN A 351 348 3.0 154.0 113.9 13.4 37.6 2XMD ACC LYS A 348 345 -> GLU A 352 349 3.0 151.4 116.9 9.7 61.4 2XMD DNR GLU A 349 346 -> THR A 346 343 3.0 115.6 122.8 55.0 88.4 2XMD ACC GLU A 349 346 -> GLY A 353 350 3.0 153.9 124.8 25.0 64.9 2XMD DNR PHE A 350 347 -> THR A 346 343 3.0 164.6 115.7 11.5 39.3 2XMD ACC PHE A 350 347 -> LEU A 354 351 3.0 157.3 104.8 24.5 39.3 2XMD DNR GLN A 351 348 -> ARG A 347 344 3.0 154.0 113.9 13.4 37.6 2XMD ACC GLN A 351 348 -> LEU A 354 351 3.2 104.1 123.2 50.9 87.1 2XMD ACC GLN A 351 348 -> LYS A 355 352 3.2 146.4 116.4 15.7 52.8 2XMD DNR GLU A 352 349 -> LYS A 348 345 3.0 151.4 116.9 9.7 61.4 2XMD ACC GLU A 352 349 -> ILE A 356 353 3.1 150.7 109.9 31.7 56.7 2XMD DNR GLY A 353 350 -> GLU A 349 346 3.0 153.9 124.8 25.0 64.9 2XMD ACC GLY A 353 350 -> ILE A 356 353 3.0 109.0 128.4 44.9 82.2 2XMD ACC GLY A 353 350 -> PHE A 357 354 3.0 156.5 112.1 13.7 39.5 2XMD DNR LEU A 354 351 -> PHE A 350 347 3.0 157.3 104.8 24.5 39.3 2XMD DNR LEU A 354 351 -> GLN A 351 348 3.2 104.1 123.2 50.9 87.1 2XMD ACC LEU A 354 351 -> PHE A 358 355 3.0 163.7 122.4 33.9 89.5 2XMD DNR LYS A 355 352 -> GLN A 351 348 3.2 146.4 116.4 15.7 52.8 2XMD DNR ILE A 356 353 -> GLU A 352 349 3.1 150.7 109.9 31.7 56.7 2XMD DNR ILE A 356 353 -> GLY A 353 350 3.0 109.0 128.4 44.9 82.2 2XMD DNR PHE A 357 354 -> GLY A 353 350 3.0 156.5 112.1 13.7 39.5 2XMD DNR PHE A 358 355 -> LEU A 354 351 3.0 163.7 122.4 33.9 89.5 2XMD ACC SER A 362 359 -> LYS A 366 363 3.1 164.3 113.8 6.2 53.0 2XMD ACC GLU A 363 360 -> GLU A 367 364 3.0 162.0 116.4 13.0 25.1 2XMD ACC PHE A 364 361 -> SER A 368 365 3.0 155.9 119.9 36.0 77.9 2XMD ACC GLY A 365 362 -> SER A 368 365 3.4 104.2 129.2 41.7 80.8 2XMD ACC GLY A 365 362 -> ILE A 369 366 3.3 149.2 118.8 11.6 62.5 2XMD DNR LYS A 366 363 -> SER A 362 359 3.1 164.3 113.8 6.2 53.0 2XMD ACC LYS A 366 363 -> LEU A 370 367 3.0 157.1 120.8 8.3 44.9 2XMD DNR GLU A 367 364 -> GLU A 363 360 3.0 162.0 116.4 13.0 25.1 2XMD ACC GLU A 367 364 -> PHE A 371 368 3.0 154.3 117.9 21.2 61.6 2XMD DNR SER A 368 365 -> PHE A 364 361 3.0 155.9 119.9 36.0 77.9 2XMD DNR SER A 368 365 -> GLY A 365 362 3.4 104.2 129.2 41.7 80.8 2XMD ACC SER A 368 365 -> HIS A 372 369 3.0 150.7 120.7 19.6 77.2 2XMD DNR ILE A 369 366 -> GLY A 365 362 3.3 149.2 118.8 11.6 62.5 2XMD ACC ILE A 369 366 -> HIS A 372 369 3.1 112.1 113.7 56.8 87.7 2XMD ACC ILE A 369 366 -> TYR A 373 370 3.0 166.6 115.3 26.1 73.8 2XMD DNR LEU A 370 367 -> LYS A 366 363 3.0 157.1 120.8 8.3 44.9 2XMD ACC LEU A 370 367 -> TYR A 373 370 3.3 112.6 121.6 38.0 76.9 2XMD ACC LEU A 370 367 -> THR A 374 371 3.1 163.4 118.2 50.2 75.8 2XMD DNR PHE A 371 368 -> GLU A 367 364 3.0 154.3 117.9 21.2 61.6 2XMD DNR HIS A 372 369 -> SER A 368 365 3.0 150.7 120.7 19.6 77.2 2XMD DNR HIS A 372 369 -> ILE A 369 366 3.1 112.1 113.7 56.8 87.7 2XMD DNR TYR A 373 370 -> ILE A 369 366 3.0 166.6 115.3 26.1 73.8 2XMD DNR TYR A 373 370 -> LEU A 370 367 3.3 112.6 121.6 38.0 76.9 2XMD DNR THR A 374 371 -> LEU A 370 367 3.1 163.4 118.2 50.2 75.8 2XMD ACC ARG A 381 378 -> ASN A 384 381 3.0 125.6 131.2 0.1 73.7 2XMD ACC GLU A 383 380 -> GLU A 387 384 3.0 171.2 116.9 17.4 3.8 2XMD DNR ASN A 384 381 -> ARG A 381 378 3.0 125.6 131.2 0.1 73.7 2XMD ACC ASN A 384 381 -> GLU A 387 384 3.4 100.5 122.6 57.1 74.6 2XMD ACC ASN A 384 381 -> ALA A 388 385 3.0 147.6 125.6 22.0 50.2 2XMD ACC TYR A 385 382 -> LEU A 389 386 3.2 149.4 118.6 19.3 87.3 2XMD ACC ARG A 386 383 -> GLY A 390 387 3.5 152.5 122.1 8.7 57.4 2XMD DNR GLU A 387 384 -> GLU A 383 380 3.0 171.2 116.9 17.4 3.8 2XMD DNR GLU A 387 384 -> ASN A 384 381 3.4 100.5 122.6 57.1 74.6 2XMD ACC GLU A 387 384 -> ASP A 391 388 3.0 153.7 120.0 14.0 34.7 2XMD DNR ALA A 388 385 -> ASN A 384 381 3.0 147.6 125.6 22.0 50.2 2XMD ACC ALA A 388 385 -> VAL A 392 389 3.0 157.4 119.6 5.7 54.0 2XMD DNR LEU A 389 386 -> TYR A 385 382 3.2 149.4 118.6 19.3 87.3 2XMD ACC LEU A 389 386 -> VAL A 393 390 3.0 146.6 121.7 19.3 78.5 2XMD DNR GLY A 390 387 -> ARG A 386 383 3.5 152.5 122.1 8.7 57.4 2XMD ACC GLY A 390 387 -> VAL A 393 390 3.2 107.5 114.4 56.0 87.4 2XMD ACC GLY A 390 387 -> GLY A 394 391 3.0 160.5 127.1 7.0 84.1 2XMD DNR ASP A 391 388 -> GLU A 387 384 3.0 153.7 120.0 14.0 34.7 2XMD ACC ASP A 391 388 -> ASP A 395 392 3.0 161.2 130.6 5.1 64.6 2XMD DNR VAL A 392 389 -> ALA A 388 385 3.0 157.4 119.6 5.7 54.0 2XMD ACC VAL A 392 389 -> ASP A 395 392 3.4 107.5 113.1 59.1 80.7 2XMD ACC VAL A 392 389 -> TYR A 396 393 3.1 158.7 127.7 0.9 89.4 2XMD DNR VAL A 393 390 -> LEU A 389 386 3.0 146.6 121.7 19.3 78.5 2XMD DNR VAL A 393 390 -> GLY A 390 387 3.2 107.5 114.4 56.0 87.4 2XMD ACC VAL A 393 390 -> ASN A 397 394 3.0 145.0 135.2 9.0 83.6 2XMD DNR GLY A 394 391 -> GLY A 390 387 3.0 160.5 127.1 7.0 84.1 2XMD ACC GLY A 394 391 -> PHE A 398 395 3.0 138.9 138.8 22.3 72.5 2XMD ACC GLY A 394 391 -> ILE A 399 396 3.0 157.7 114.8 17.7 31.8 2XMD DNR ASP A 395 392 -> ASP A 391 388 3.0 161.2 130.6 5.1 64.6 2XMD DNR ASP A 395 392 -> VAL A 392 389 3.4 107.5 113.1 59.1 80.7 2XMD ACC ASP A 395 392 -> CYS A 400 397 3.1 141.0 131.7 22.0 1.1 2XMD DNR TYR A 396 393 -> VAL A 392 389 3.1 158.7 127.7 0.9 89.4 2XMD DNR ASN A 397 394 -> VAL A 393 390 3.0 145.0 135.2 9.0 83.6 2XMD DNR PHE A 398 395 -> GLY A 394 391 3.0 138.9 138.8 22.3 72.5 2XMD ACC PHE A 398 395 -> ALA A 402 399 3.1 148.3 128.8 26.2 62.0 2XMD DNR ILE A 399 396 -> GLY A 394 391 3.0 157.7 114.8 17.7 31.8 2XMD ACC ILE A 399 396 -> ALA A 402 399 3.2 113.7 121.2 52.3 85.1 2XMD ACC ILE A 399 396 -> LEU A 403 400 3.0 164.0 120.1 11.6 52.3 2XMD DNR CYS A 400 397 -> ASP A 395 392 3.1 141.0 131.7 22.0 1.1 2XMD ACC CYS A 400 397 -> GLU A 404 401 3.0 158.6 122.6 13.2 81.8 2XMD ACC PRO A 401 398 -> PHE A 405 402 3.0 150.7 125.0 10.3 81.6 2XMD DNR ALA A 402 399 -> PHE A 398 395 3.1 148.3 128.8 26.2 62.0 2XMD DNR ALA A 402 399 -> ILE A 399 396 3.2 113.7 121.2 52.3 85.1 2XMD ACC ALA A 402 399 -> THR A 406 403 3.0 151.9 122.6 27.9 63.7 2XMD DNR LEU A 403 400 -> ILE A 399 396 3.0 164.0 120.1 11.6 52.3 2XMD ACC LEU A 403 400 -> THR A 406 403 3.2 108.3 122.2 52.6 83.6 2XMD ACC LEU A 403 400 -> LYS A 407 404 3.0 157.6 120.0 15.4 60.6 2XMD DNR GLU A 404 401 -> CYS A 400 397 3.0 158.6 122.6 13.2 81.8 2XMD ACC GLU A 404 401 -> LYS A 408 405 3.0 156.0 125.6 3.1 75.9 2XMD DNR PHE A 405 402 -> PRO A 401 398 3.0 150.7 125.0 10.3 81.6 2XMD ACC PHE A 405 402 -> PHE A 409 406 3.0 155.6 126.0 19.9 81.3 2XMD DNR THR A 406 403 -> ALA A 402 399 3.0 151.9 122.6 27.9 63.7 2XMD DNR THR A 406 403 -> LEU A 403 400 3.2 108.3 122.2 52.6 83.6 2XMD ACC THR A 406 403 -> PHE A 409 406 3.4 105.1 120.3 55.6 84.1 2XMD ACC THR A 406 403 -> SER A 410 407 3.0 157.0 125.0 12.4 77.5 2XMD DNR LYS A 407 404 -> LEU A 403 400 3.0 157.6 120.0 15.4 60.6 2XMD ACC LYS A 407 404 -> SER A 410 407 3.4 108.3 111.6 58.7 90.0 2XMD ACC LYS A 407 404 -> GLU A 411 408 3.2 155.9 116.9 37.5 72.3 2XMD DNR LYS A 408 405 -> GLU A 404 401 3.0 156.0 125.6 3.1 75.9 2XMD ACC LYS A 408 405 -> GLU A 411 408 3.4 107.4 130.3 34.5 78.1 2XMD DNR PHE A 409 406 -> PHE A 405 402 3.0 155.6 126.0 19.9 81.3 2XMD DNR PHE A 409 406 -> THR A 406 403 3.4 105.1 120.3 55.6 84.1 2XMD ACC PHE A 409 406 -> TRP A 412 409 3.1 120.2 132.6 0.1 65.3 2XMD DNR SER A 410 407 -> THR A 406 403 3.0 157.0 125.0 12.4 77.5 2XMD DNR SER A 410 407 -> LYS A 407 404 3.4 108.3 111.6 58.7 90.0 2XMD ACC SER A 410 407 -> GLY A 413 410 3.0 125.2 127.2 5.0 81.9 2XMD DNR GLU A 411 408 -> LYS A 407 404 3.2 155.9 116.9 37.5 72.3 2XMD DNR GLU A 411 408 -> LYS A 408 405 3.4 107.4 130.3 34.5 78.1 2XMD DNR TRP A 412 409 -> PHE A 409 406 3.1 120.2 132.6 0.1 65.3 2XMD DNR GLY A 413 410 -> SER A 410 407 3.0 125.2 127.2 5.0 81.9 2XMD ACC ASN A 415 412 -> ILE A 317 314 3.2 152.5 99.9 2.5 16.1 2XMD ACC ALA A 416 413 -> PHE A 493 490 3.0 151.4 117.9 2.1 85.7 2XMD DNR PHE A 417 414 -> ILE A 317 314 3.0 156.2 106.9 18.7 39.9 2XMD ACC PHE A 417 414 -> VAL A 319 316 3.0 169.5 113.7 3.8 14.7 2XMD ACC PHE A 418 415 -> LEU A 501 498 3.0 160.4 109.8 1.5 32.2 2XMD DNR TYR A 419 416 -> VAL A 319 316 3.0 154.4 101.8 1.8 22.5 2XMD ACC TYR A 419 416 -> VAL A 321 318 3.1 152.7 103.6 5.7 76.7 2XMD DNR TYR A 420 417 -> LEU A 501 498 3.0 147.2 107.8 2.4 67.8 2XMD ACC TYR A 420 417 -> LEU A 503 500 3.0 148.4 111.0 7.6 74.7 2XMD DNR PHE A 421 418 -> VAL A 321 318 3.0 156.5 117.1 6.3 22.3 2XMD ACC PHE A 421 418 -> LYS A 323 320 3.0 168.8 113.3 37.6 37.6 2XMD DNR GLU A 422 419 -> LEU A 503 500 3.0 160.6 128.1 6.3 48.5 2XMD ACC SER A 425 422 -> LEU A 428 425 3.3 103.0 126.3 10.9 89.9 2XMD DNR LEU A 428 425 -> SER A 425 422 3.3 103.0 126.3 10.9 89.9 2XMD ACC PRO A 431 428 -> MET A 434 431 3.1 125.6 132.7 15.6 59.0 2XMD ACC GLU A 432 429 -> GLY A 435 432 3.0 122.5 131.3 30.6 78.2 2XMD DNR MET A 434 431 -> PRO A 431 428 3.1 125.6 132.7 15.6 59.0 2XMD DNR GLY A 435 432 -> GLU A 432 429 3.0 122.5 131.3 30.6 78.2 2XMD ACC VAL A 436 433 -> ASP A 324 321 3.0 140.4 147.2 10.8 36.8 2XMD ACC MET A 437 434 -> TYR A 440 437 3.3 131.7 133.2 16.2 69.5 2XMD DNR TYR A 440 437 -> MET A 437 434 3.3 131.7 133.2 16.2 69.5 2XMD ACC GLU A 441 438 -> PHE A 444 441 3.0 123.1 128.1 48.3 78.2 2XMD ACC GLU A 441 438 -> VAL A 445 442 3.0 163.4 109.7 7.7 12.5 2XMD ACC ILE A 442 439 -> PHE A 446 443 3.0 161.5 116.2 28.5 60.9 2XMD ACC GLU A 443 440 -> GLY A 447 444 3.2 137.5 114.2 47.6 75.4 2XMD ACC GLU A 443 440 -> LEU A 448 445 3.1 166.3 120.8 28.2 24.5 2XMD DNR PHE A 444 441 -> GLU A 441 438 3.0 123.1 128.1 48.3 78.2 2XMD ACC PHE A 444 441 -> GLY A 447 444 3.2 104.3 135.4 37.0 86.6 2XMD DNR VAL A 445 442 -> GLU A 441 438 3.0 163.4 109.7 7.7 12.5 2XMD DNR PHE A 446 443 -> ILE A 442 439 3.0 161.5 116.2 28.5 60.9 2XMD DNR GLY A 447 444 -> GLU A 443 440 3.2 137.5 114.2 47.6 75.4 2XMD DNR GLY A 447 444 -> PHE A 444 441 3.2 104.3 135.4 37.0 86.6 2XMD ACC GLY A 447 444 -> LEU A 450 447 3.0 118.3 133.4 23.6 83.4 2XMD DNR LEU A 448 445 -> GLU A 443 440 3.1 166.3 120.8 28.2 24.5 2XMD ACC LEU A 448 445 -> GLU A 451 448 3.0 129.9 128.8 16.7 73.8 2XMD DNR LEU A 450 447 -> GLY A 447 444 3.0 118.3 133.4 23.6 83.4 2XMD DNR GLU A 451 448 -> LEU A 448 445 3.0 129.9 128.8 16.7 73.8 2XMD ACC GLU A 451 448 -> ASP A 454 451 3.3 118.5 134.0 38.3 61.1 2XMD DNR ASP A 454 451 -> GLU A 451 448 3.3 118.5 134.0 38.3 61.1 2XMD ACC THR A 457 454 -> GLU A 460 457 3.1 101.7 135.0 43.0 79.5 2XMD ACC THR A 457 454 -> GLU A 461 458 3.1 150.0 110.3 13.7 46.7 2XMD ACC LYS A 458 455 -> ILE A 462 459 3.1 162.2 118.2 4.4 71.1 2XMD ACC ALA A 459 456 -> LEU A 463 460 3.1 145.5 119.4 15.0 53.4 2XMD DNR GLU A 460 457 -> THR A 457 454 3.1 101.7 135.0 43.0 79.5 2XMD ACC GLU A 460 457 -> SER A 464 461 3.0 154.7 124.5 9.9 87.2 2XMD DNR GLU A 461 458 -> THR A 457 454 3.1 150.0 110.3 13.7 46.7 2XMD ACC GLU A 461 458 -> ARG A 465 462 3.0 158.5 126.8 20.6 68.0 2XMD DNR ILE A 462 459 -> LYS A 458 455 3.1 162.2 118.2 4.4 71.1 2XMD ACC ILE A 462 459 -> SER A 466 463 3.0 150.6 117.7 25.5 57.4 2XMD DNR LEU A 463 460 -> ALA A 459 456 3.1 145.5 119.4 15.0 53.4 2XMD ACC LEU A 463 460 -> SER A 466 463 3.2 107.3 122.5 54.9 86.9 2XMD ACC LEU A 463 460 -> ILE A 467 464 3.0 158.5 119.3 14.7 60.5 2XMD DNR SER A 464 461 -> GLU A 460 457 3.0 154.7 124.5 9.9 87.2 2XMD ACC SER A 464 461 -> ILE A 467 464 3.2 107.3 113.8 59.6 89.4 2XMD ACC SER A 464 461 -> VAL A 468 465 3.0 161.0 123.6 15.6 85.7 2XMD DNR ARG A 465 462 -> GLU A 461 458 3.0 158.5 126.8 20.6 68.0 2XMD ACC ARG A 465 462 -> LYS A 469 466 3.2 143.5 124.9 12.9 64.5 2XMD DNR SER A 466 463 -> ILE A 462 459 3.0 150.6 117.7 25.5 57.4 2XMD DNR SER A 466 463 -> LEU A 463 460 3.2 107.3 122.5 54.9 86.9 2XMD ACC SER A 466 463 -> ARG A 470 467 3.0 155.4 123.8 5.0 63.8 2XMD DNR ILE A 467 464 -> LEU A 463 460 3.0 158.5 119.3 14.7 60.5 2XMD DNR ILE A 467 464 -> SER A 464 461 3.2 107.3 113.8 59.6 89.4 2XMD ACC ILE A 467 464 -> TRP A 471 468 3.0 162.4 117.9 10.8 63.8 2XMD DNR VAL A 468 465 -> SER A 464 461 3.0 161.0 123.6 15.6 85.7 2XMD ACC VAL A 468 465 -> ALA A 472 469 3.0 155.6 125.0 15.8 70.0 2XMD DNR LYS A 469 466 -> ARG A 465 462 3.2 143.5 124.9 12.9 64.5 2XMD ACC LYS A 469 466 -> ASN A 473 470 3.0 168.7 119.7 8.2 67.9 2XMD DNR ARG A 470 467 -> SER A 466 463 3.0 155.4 123.8 5.0 63.8 2XMD ACC ARG A 470 467 -> PHE A 474 471 3.0 150.3 124.9 14.9 75.5 2XMD DNR TRP A 471 468 -> ILE A 467 464 3.0 162.4 117.9 10.8 63.8 2XMD ACC TRP A 471 468 -> ALA A 475 472 3.0 150.2 116.9 17.6 49.4 2XMD DNR ALA A 472 469 -> VAL A 468 465 3.0 155.6 125.0 15.8 70.0 2XMD ACC ALA A 472 469 -> LYS A 476 473 3.0 161.4 120.8 3.5 64.4 2XMD DNR ASN A 473 470 -> LYS A 469 466 3.0 168.7 119.7 8.2 67.9 2XMD ACC ASN A 473 470 -> TYR A 477 474 3.0 146.2 138.2 27.7 83.2 2XMD ACC ASN A 473 470 -> GLY A 478 475 3.4 140.7 91.0 46.5 0.8 2XMD DNR PHE A 474 471 -> ARG A 470 467 3.0 150.3 124.9 14.9 75.5 2XMD ACC PHE A 474 471 -> GLY A 478 475 3.0 127.7 146.3 4.6 46.6 2XMD DNR ALA A 475 472 -> TRP A 471 468 3.0 150.2 116.9 17.6 49.4 2XMD DNR LYS A 476 473 -> ALA A 472 469 3.0 161.4 120.8 3.5 64.4 2XMD DNR TYR A 477 474 -> ASN A 473 470 3.0 146.2 138.2 27.7 83.2 2XMD DNR GLY A 478 475 -> ASN A 473 470 3.4 140.7 91.0 46.5 0.8 2XMD DNR GLY A 478 475 -> PHE A 474 471 3.0 127.7 146.3 4.6 46.6 2XMD ACC ASN A 479 476 -> GLN A 481 478 3.0 97.1 95.4 9.0 35.1 2XMD DNR GLN A 481 478 -> ASN A 479 476 3.0 97.1 95.4 9.0 35.1 2XMD DNR PHE A 493 490 -> ALA A 416 413 3.0 151.4 117.9 2.1 85.7 2XMD ACC LYS A 494 491 -> GLN A 498 495 3.0 145.0 148.2 23.0 70.3 2XMD DNR GLN A 498 495 -> LYS A 494 491 3.0 145.0 148.2 23.0 70.3 2XMD ACC GLN A 498 495 -> LYS A 513 510 3.0 134.9 113.4 2.3 61.1 2XMD DNR TYR A 500 497 -> MET A 511 508 3.0 158.7 111.1 3.6 79.8 2XMD ACC TYR A 500 497 -> MET A 511 508 3.1 167.0 116.9 14.1 23.5 2XMD DNR LEU A 501 498 -> PHE A 418 415 3.0 160.4 109.8 1.5 32.2 2XMD ACC LEU A 501 498 -> TYR A 420 417 3.0 147.2 107.8 2.4 67.8 2XMD DNR THR A 502 499 -> ARG A 509 506 3.0 157.5 111.4 7.7 7.2 2XMD DNR LEU A 503 500 -> TYR A 420 417 3.0 148.4 111.0 7.6 74.7 2XMD ACC LEU A 503 500 -> GLU A 422 419 3.0 160.6 128.1 6.3 48.5 2XMD ACC ARG A 509 506 -> THR A 502 499 3.0 157.5 111.4 7.7 7.2 2XMD DNR MET A 511 508 -> TYR A 500 497 3.1 167.0 116.9 14.1 23.5 2XMD ACC MET A 511 508 -> TYR A 500 497 3.0 158.7 111.1 3.6 79.8 2XMD DNR LYS A 513 510 -> GLN A 498 495 3.0 134.9 113.4 2.3 61.1 2XMD ACC LYS A 513 510 -> ALA A 516 513 3.3 132.7 121.7 52.7 65.0 2XMD ACC ARG A 515 512 -> CYS A 519 516 3.0 160.4 125.4 9.9 86.4 2XMD DNR ALA A 516 513 -> LYS A 513 510 3.3 132.7 121.7 52.7 65.0 2XMD ACC ALA A 516 513 -> CYS A 519 516 3.4 113.5 112.1 55.4 84.6 2XMD ACC ALA A 516 513 -> ARG A 520 517 3.2 162.8 122.0 13.6 69.8 2XMD ACC GLN A 517 514 -> ARG A 520 517 3.4 112.8 119.7 55.2 81.1 2XMD ACC GLN A 517 514 -> PHE A 521 518 3.5 155.1 113.0 16.8 49.9 2XMD ACC GLN A 518 515 -> PHE A 521 518 3.0 116.4 128.2 52.3 74.5 2XMD ACC GLN A 518 515 -> TRP A 522 519 3.3 153.1 106.7 17.3 10.7 2XMD DNR CYS A 519 516 -> ARG A 515 512 3.0 160.4 125.4 9.9 86.4 2XMD DNR CYS A 519 516 -> ALA A 516 513 3.4 113.5 112.1 55.4 84.6 2XMD ACC CYS A 519 516 -> TRP A 522 519 3.2 104.2 112.6 56.4 86.6 2XMD ACC CYS A 519 516 -> THR A 523 520 3.0 158.2 131.8 16.5 85.0 2XMD DNR ARG A 520 517 -> ALA A 516 513 3.2 162.8 122.0 13.6 69.8 2XMD DNR ARG A 520 517 -> GLN A 517 514 3.4 112.8 119.7 55.2 81.1 2XMD ACC ARG A 520 517 -> SER A 524 521 3.0 139.1 138.1 5.8 70.7 2XMD DNR PHE A 521 518 -> GLN A 517 514 3.5 155.1 113.0 16.8 49.9 2XMD DNR PHE A 521 518 -> GLN A 518 515 3.0 116.4 128.2 52.3 74.5 2XMD ACC PHE A 521 518 -> PHE A 525 522 3.2 127.5 134.7 56.5 68.5 2XMD ACC PHE A 521 518 -> PHE A 526 523 3.0 168.4 118.2 14.8 8.6 2XMD DNR TRP A 522 519 -> GLN A 518 515 3.3 153.1 106.7 17.3 10.7 2XMD DNR TRP A 522 519 -> CYS A 519 516 3.2 104.2 112.6 56.4 86.6 2XMD DNR THR A 523 520 -> CYS A 519 516 3.0 158.2 131.8 16.5 85.0 2XMD DNR SER A 524 521 -> ARG A 520 517 3.0 139.1 138.1 5.8 70.7 2XMD DNR PHE A 525 522 -> PHE A 521 518 3.2 127.5 134.7 56.5 68.5 2XMD ACC PHE A 525 522 -> LYS A 528 525 3.2 141.7 126.9 15.9 55.3 2XMD DNR PHE A 526 523 -> PHE A 521 518 3.0 168.4 118.2 14.8 8.6 2XMD ACC PHE A 526 523 -> VAL A 529 526 3.2 121.4 126.0 16.5 76.7 2XMD DNR LYS A 528 525 -> PHE A 525 522 3.2 141.7 126.9 15.9 55.3 2XMD DNR VAL A 529 526 -> PHE A 526 523 3.2 121.4 126.0 16.5 76.7 2XMD