1 MET 1 N -0.0023 0.0017 0.0010 2 MET 1 CA -0.0005 0.0012 0.0009 3 MET 1 C 0.0000 0.0009 -0.0017 4 MET 1 O 0.0019 0.0004 -0.0022 5 MET 1 CB -0.0014 0.0015 0.0020 6 MET 1 CG -0.0012 0.0017 0.0046 7 MET 1 SD -0.0031 0.0023 0.0056 8 MET 1 CE -0.0016 0.0022 0.0083 9 MET 1 H1 -0.0036 0.0021 0.0020 10 MET 1 H2 -0.0029 0.0016 -0.0007 11 MET 1 H3 -0.0016 0.0016 0.0018 12 MET 1 HA 0.0010 0.0010 0.0018 13 MET 1 HB2 -0.0031 0.0019 0.0015 14 MET 1 HB3 -0.0004 0.0012 0.0014 15 MET 1 HG2 -0.0016 0.0019 0.0053 16 MET 1 HG3 0.0005 0.0014 0.0051 17 MET 1 HE1 -0.0007 0.0020 0.0089 18 MET 1 HE2 -0.0028 0.0026 0.0096 19 MET 1 HE3 -0.0004 0.0019 0.0079 20 ASP 2 N -0.0016 -0.0001 -0.0013 21 ASP 2 CA -0.0016 0.0011 -0.0013 22 ASP 2 C -0.0007 0.0013 -0.0013 23 ASP 2 O 0.0002 0.0012 -0.0013 24 ASP 2 CB -0.0012 0.0016 -0.0013 25 ASP 2 CG -0.0021 0.0015 -0.0013 26 ASP 2 OD1 -0.0024 0.0006 -0.0013 27 ASP 2 OD2 -0.0025 0.0023 -0.0014 28 ASP 2 H -0.0014 -0.0004 -0.0013 29 ASP 2 HA -0.0023 0.0014 -0.0013 30 ASP 2 HB2 -0.0005 0.0013 -0.0013 31 ASP 2 HB3 -0.0011 0.0025 -0.0013 32 VAL 3 N -0.0010 0.0016 -0.0008 33 VAL 3 CA -0.0007 0.0016 -0.0008 34 VAL 3 C 0.0000 0.0023 -0.0007 35 VAL 3 O 0.0005 0.0023 -0.0007 36 VAL 3 CB -0.0015 0.0018 -0.0006 37 VAL 3 CG1 -0.0012 0.0018 -0.0006 38 VAL 3 CG2 -0.0023 0.0011 -0.0007 39 VAL 3 H -0.0016 0.0016 -0.0006 40 VAL 3 HA -0.0005 0.0010 -0.0011 41 VAL 3 HB -0.0017 0.0024 -0.0003 42 VAL 3 HG11 -0.0009 0.0013 -0.0009 43 VAL 3 HG12 -0.0008 0.0024 -0.0005 44 VAL 3 HG13 -0.0018 0.0018 -0.0005 45 VAL 3 HG21 -0.0028 0.0012 -0.0006 46 VAL 3 HG22 -0.0026 0.0012 -0.0006 47 VAL 3 HG23 -0.0020 0.0005 -0.0010 48 PHE 4 N -0.0000 0.0023 -0.0007 49 PHE 4 CA 0.0012 0.0033 0.0001 50 PHE 4 C 0.0028 0.0021 0.0004 51 PHE 4 O 0.0040 0.0026 0.0011 52 PHE 4 CB 0.0009 0.0039 0.0002 53 PHE 4 CG -0.0005 0.0052 0.0000 54 PHE 4 CD1 -0.0002 0.0068 0.0007 55 PHE 4 CD2 -0.0020 0.0048 -0.0007 56 PHE 4 CE1 -0.0015 0.0080 0.0005 57 PHE 4 CE2 -0.0033 0.0060 -0.0009 58 PHE 4 CZ -0.0031 0.0076 -0.0002 59 PHE 4 H -0.0008 0.0019 -0.0012 60 PHE 4 HA 0.0013 0.0043 0.0005 61 PHE 4 HB2 0.0007 0.0029 -0.0002 62 PHE 4 HB3 0.0019 0.0043 0.0008 63 PHE 4 HD1 0.0009 0.0071 0.0013 64 PHE 4 HD2 -0.0022 0.0035 -0.0012 65 PHE 4 HE1 -0.0014 0.0093 0.0010 66 PHE 4 HE2 -0.0045 0.0057 -0.0015 67 PHE 4 HZ -0.0041 0.0085 -0.0004 68 MET 5 N 0.0021 0.0021 0.0003 69 MET 5 CA 0.0033 0.0018 -0.0005 70 MET 5 C 0.0027 0.0014 -0.0012 71 MET 5 O 0.0034 0.0015 -0.0012 72 MET 5 CB 0.0038 0.0014 -0.0016 73 MET 5 CG 0.0048 0.0018 -0.0010 74 MET 5 SD 0.0064 0.0022 -0.0006 75 MET 5 CE 0.0071 0.0028 0.0004 76 MET 5 H 0.0019 0.0020 0.0002 77 MET 5 HA 0.0042 0.0022 0.0000 78 MET 5 HB2 0.0029 0.0011 -0.0019 79 MET 5 HB3 0.0044 0.0010 -0.0023 80 MET 5 HG2 0.0043 0.0022 -0.0001 81 MET 5 HG3 0.0050 0.0015 -0.0016 82 MET 5 HE1 0.0069 0.0032 0.0014 83 MET 5 HE2 0.0083 0.0028 0.0002 84 MET 5 HE3 0.0066 0.0026 0.0002 85 LYS 6 N 0.0024 0.0015 -0.0013 86 LYS 6 CA 0.0025 0.0011 -0.0016 87 LYS 6 C 0.0028 0.0017 -0.0013 88 LYS 6 O 0.0035 0.0016 -0.0015 89 LYS 6 CB 0.0016 0.0006 -0.0018 90 LYS 6 CG 0.0014 -0.0001 -0.0022 91 LYS 6 CD 0.0005 -0.0005 -0.0023 92 LYS 6 CE 0.0004 -0.0013 -0.0028 93 LYS 6 NZ 0.0009 -0.0019 -0.0033 94 LYS 6 H 0.0019 0.0015 -0.0013 95 LYS 6 HA 0.0031 0.0007 -0.0020 96 LYS 6 HB2 0.0011 0.0010 -0.0014 97 LYS 6 HB3 0.0016 0.0005 -0.0019 98 LYS 6 HG2 0.0020 -0.0005 -0.0026 99 LYS 6 HG3 0.0014 0.0001 -0.0021 100 LYS 6 HD2 -0.0000 -0.0002 -0.0020 101 LYS 6 HD3 0.0005 -0.0006 -0.0024 102 LYS 6 HE2 0.0005 -0.0012 -0.0028 103 LYS 6 HE3 -0.0004 -0.0015 -0.0028 104 LYS 6 HZ1 0.0014 -0.0016 -0.0032 105 LYS 6 HZ2 0.0005 -0.0023 -0.0035 106 LYS 6 HZ3 0.0014 -0.0021 -0.0035 107 GLY 7 N 0.0022 0.0015 -0.0007 108 GLY 7 CA 0.0019 0.0013 -0.0004 109 GLY 7 C 0.0018 0.0010 -0.0001 110 GLY 7 O 0.0014 0.0010 0.0001 111 GLY 7 H 0.0025 0.0015 -0.0009 112 GLY 7 HA2 0.0016 0.0015 -0.0004 113 GLY 7 HA3 0.0020 0.0011 -0.0003 114 LEU 8 N 0.0020 0.0008 0.0003 115 LEU 8 CA 0.0021 0.0006 0.0006 116 LEU 8 C 0.0017 0.0010 0.0003 117 LEU 8 O 0.0013 0.0009 0.0005 118 LEU 8 CB 0.0028 0.0004 0.0005 119 LEU 8 CG 0.0029 0.0001 0.0009 120 LEU 8 CD1 0.0029 -0.0004 0.0014 121 LEU 8 CD2 0.0035 0.0001 0.0008 122 LEU 8 H 0.0024 0.0009 0.0001 123 LEU 8 HA 0.0018 0.0003 0.0009 124 LEU 8 HB2 0.0030 0.0003 0.0006 125 LEU 8 HB3 0.0030 0.0007 0.0002 126 LEU 8 HG 0.0024 0.0002 0.0010 127 LEU 8 HD11 0.0033 -0.0005 0.0014 128 LEU 8 HD12 0.0024 -0.0004 0.0015 129 LEU 8 HD13 0.0029 -0.0006 0.0017 130 LEU 8 HD21 0.0039 0.0000 0.0007 131 LEU 8 HD22 0.0035 -0.0002 0.0010 132 LEU 8 HD23 0.0035 0.0004 0.0004 133 SER 9 N 0.0021 0.0006 -0.0004 134 SER 9 CA 0.0016 0.0011 -0.0004 135 SER 9 C 0.0011 0.0013 -0.0003 136 SER 9 O 0.0006 0.0015 -0.0002 137 SER 9 CB 0.0020 0.0016 -0.0006 138 SER 9 OG 0.0015 0.0022 -0.0006 139 SER 9 H 0.0025 0.0007 -0.0005 140 SER 9 HA 0.0014 0.0008 -0.0002 141 SER 9 HB2 0.0022 0.0015 -0.0007 142 SER 9 HB3 0.0023 0.0018 -0.0008 143 SER 9 HG 0.0012 0.0021 -0.0005 144 LYS 10 N 0.0016 0.0004 -0.0011 145 LYS 10 CA 0.0003 0.0008 -0.0010 146 LYS 10 C -0.0003 0.0002 0.0000 147 LYS 10 O -0.0012 0.0004 0.0001 148 LYS 10 CB -0.0000 0.0009 -0.0010 149 LYS 10 CG -0.0013 0.0013 -0.0010 150 LYS 10 CD -0.0016 0.0014 -0.0011 151 LYS 10 CE -0.0029 0.0019 -0.0011 152 LYS 10 NZ -0.0032 0.0027 -0.0021 153 LYS 10 H 0.0021 0.0002 -0.0010 154 LYS 10 HA -0.0000 0.0013 -0.0016 155 LYS 10 HB2 0.0005 0.0012 -0.0017 156 LYS 10 HB3 0.0002 0.0003 -0.0004 157 LYS 10 HG2 -0.0018 0.0009 -0.0003 158 LYS 10 HG3 -0.0016 0.0018 -0.0016 159 LYS 10 HD2 -0.0011 0.0018 -0.0018 160 LYS 10 HD3 -0.0014 0.0009 -0.0005 161 LYS 10 HE2 -0.0032 0.0018 -0.0009 162 LYS 10 HE3 -0.0034 0.0016 -0.0005 163 LYS 10 HZ1 -0.0026 0.0027 -0.0024 164 LYS 10 HZ2 -0.0040 0.0029 -0.0020 165 LYS 10 HZ3 -0.0031 0.0030 -0.0025 166 ALA 11 N -0.0005 -0.0004 -0.0002 167 ALA 11 CA -0.0009 -0.0008 -0.0001 168 ALA 11 C -0.0013 -0.0006 -0.0002 169 ALA 11 O -0.0019 -0.0007 -0.0002 170 ALA 11 CB -0.0006 -0.0014 0.0001 171 ALA 11 H -0.0001 -0.0004 -0.0001 172 ALA 11 HA -0.0012 -0.0009 -0.0001 173 ALA 11 HB1 -0.0004 -0.0013 0.0001 174 ALA 11 HB2 -0.0003 -0.0015 0.0001 175 ALA 11 HB3 -0.0009 -0.0018 0.0001 176 LYS 12 N -0.0011 -0.0009 -0.0001 177 LYS 12 CA -0.0019 -0.0006 -0.0001 178 LYS 12 C -0.0019 -0.0003 0.0003 179 LYS 12 O -0.0024 -0.0003 0.0002 180 LYS 12 CB -0.0023 -0.0002 0.0003 181 LYS 12 CG -0.0032 0.0000 0.0003 182 LYS 12 CD -0.0036 0.0004 0.0007 183 LYS 12 CE -0.0038 0.0001 0.0002 184 LYS 12 NZ -0.0044 0.0005 0.0005 185 LYS 12 H -0.0009 -0.0008 0.0000 186 LYS 12 HA -0.0023 -0.0009 -0.0006 187 LYS 12 HB2 -0.0022 -0.0004 0.0001 188 LYS 12 HB3 -0.0020 0.0001 0.0009 189 LYS 12 HG2 -0.0033 0.0002 0.0005 190 LYS 12 HG3 -0.0035 -0.0003 -0.0002 191 LYS 12 HD2 -0.0033 0.0006 0.0012 192 LYS 12 HD3 -0.0042 0.0006 0.0008 193 LYS 12 HE2 -0.0041 -0.0002 -0.0003 194 LYS 12 HE3 -0.0032 -0.0000 0.0002 195 LYS 12 HZ1 -0.0046 0.0008 0.0009 196 LYS 12 HZ2 -0.0041 0.0005 0.0007 197 LYS 12 HZ3 -0.0048 0.0003 0.0001 198 GLU 13 N -0.0011 -0.0006 0.0003 199 GLU 13 CA -0.0011 -0.0004 0.0006 200 GLU 13 C -0.0010 -0.0004 0.0005 201 GLU 13 O -0.0011 -0.0004 0.0007 202 GLU 13 CB -0.0008 -0.0003 0.0006 203 GLU 13 CG -0.0008 -0.0001 0.0009 204 GLU 13 CD -0.0006 0.0001 0.0010 205 GLU 13 OE1 -0.0005 0.0001 0.0009 206 GLU 13 OE2 -0.0005 0.0002 0.0012 207 GLU 13 H -0.0009 -0.0006 0.0002 208 GLU 13 HA -0.0012 -0.0004 0.0007 209 GLU 13 HB2 -0.0008 -0.0003 0.0007 210 GLU 13 HB3 -0.0006 -0.0003 0.0005 211 GLU 13 HG2 -0.0008 -0.0001 0.0009 212 GLU 13 HG3 -0.0010 -0.0001 0.0010 213 GLY 14 N -0.0013 -0.0010 0.0001 214 GLY 14 CA -0.0011 -0.0010 -0.0002 215 GLY 14 C -0.0013 -0.0010 -0.0005 216 GLY 14 O -0.0013 -0.0010 -0.0005 217 GLY 14 H -0.0013 -0.0010 0.0000 218 GLY 14 HA2 -0.0009 -0.0011 -0.0000 219 GLY 14 HA3 -0.0008 -0.0011 -0.0004 220 VAL 15 N -0.0014 -0.0013 -0.0009 221 VAL 15 CA -0.0020 -0.0013 -0.0014 222 VAL 15 C -0.0023 -0.0014 -0.0007 223 VAL 15 O -0.0023 -0.0014 -0.0010 224 VAL 15 CB -0.0028 -0.0013 -0.0018 225 VAL 15 CG1 -0.0034 -0.0013 -0.0023 226 VAL 15 CG2 -0.0025 -0.0013 -0.0025 227 VAL 15 H -0.0016 -0.0013 -0.0009 228 VAL 15 HA -0.0016 -0.0013 -0.0019 229 VAL 15 HB -0.0032 -0.0014 -0.0013 230 VAL 15 HG11 -0.0038 -0.0013 -0.0018 231 VAL 15 HG12 -0.0040 -0.0013 -0.0027 232 VAL 15 HG13 -0.0030 -0.0012 -0.0028 233 VAL 15 HG21 -0.0022 -0.0012 -0.0031 234 VAL 15 HG22 -0.0031 -0.0013 -0.0027 235 VAL 15 HG23 -0.0020 -0.0013 -0.0022 236 VAL 16 N -0.0020 -0.0013 0.0001 237 VAL 16 CA -0.0021 -0.0015 0.0005 238 VAL 16 C -0.0012 -0.0017 0.0007 239 VAL 16 O -0.0010 -0.0017 0.0006 240 VAL 16 CB -0.0027 -0.0017 0.0014 241 VAL 16 CG1 -0.0027 -0.0020 0.0020 242 VAL 16 CG2 -0.0036 -0.0015 0.0012 243 VAL 16 H -0.0022 -0.0014 0.0003 244 VAL 16 HA -0.0025 -0.0013 0.0002 245 VAL 16 HB -0.0023 -0.0019 0.0017 246 VAL 16 HG11 -0.0028 -0.0018 0.0016 247 VAL 16 HG12 -0.0020 -0.0022 0.0022 248 VAL 16 HG13 -0.0032 -0.0021 0.0025 249 VAL 16 HG21 -0.0040 -0.0017 0.0019 250 VAL 16 HG22 -0.0037 -0.0013 0.0008 251 VAL 16 HG23 -0.0040 -0.0013 0.0010 252 ALA 17 N -0.0008 -0.0022 0.0007 253 ALA 17 CA -0.0001 -0.0023 0.0009 254 ALA 17 C 0.0003 -0.0020 0.0005 255 ALA 17 O 0.0008 -0.0021 0.0006 256 ALA 17 CB 0.0002 -0.0024 0.0011 257 ALA 17 H -0.0010 -0.0022 0.0007 258 ALA 17 HA -0.0001 -0.0025 0.0013 259 ALA 17 HB1 -0.0000 -0.0026 0.0014 260 ALA 17 HB2 0.0007 -0.0024 0.0011 261 ALA 17 HB3 0.0001 -0.0022 0.0007 262 ALA 18 N 0.0004 -0.0021 -0.0001 263 ALA 18 CA 0.0008 -0.0019 -0.0007 264 ALA 18 C 0.0002 -0.0020 -0.0006 265 ALA 18 O 0.0006 -0.0019 -0.0006 266 ALA 18 CB 0.0007 -0.0016 -0.0017 267 ALA 18 H 0.0001 -0.0021 -0.0004 268 ALA 18 HA 0.0015 -0.0017 -0.0005 269 ALA 18 HB1 -0.0000 -0.0018 -0.0019 270 ALA 18 HB2 0.0010 -0.0015 -0.0017 271 ALA 18 HB3 0.0010 -0.0014 -0.0021 272 ALA 19 N 0.0000 -0.0019 0.0008 273 ALA 19 CA 0.0004 -0.0018 0.0007 274 ALA 19 C 0.0007 -0.0021 0.0007 275 ALA 19 O 0.0010 -0.0020 0.0007 276 ALA 19 CB 0.0003 -0.0019 0.0007 277 ALA 19 H -0.0003 -0.0019 0.0008 278 ALA 19 HA 0.0005 -0.0015 0.0008 279 ALA 19 HB1 0.0006 -0.0019 0.0007 280 ALA 19 HB2 0.0001 -0.0022 0.0007 281 ALA 19 HB3 0.0001 -0.0016 0.0008 282 GLU 20 N 0.0010 -0.0023 0.0001 283 GLU 20 CA 0.0012 -0.0026 -0.0003 284 GLU 20 C 0.0011 -0.0025 -0.0001 285 GLU 20 O 0.0015 -0.0026 -0.0002 286 GLU 20 CB 0.0009 -0.0031 -0.0007 287 GLU 20 CG 0.0011 -0.0032 -0.0008 288 GLU 20 CD 0.0008 -0.0036 -0.0012 289 GLU 20 OE1 0.0004 -0.0038 -0.0014 290 GLU 20 OE2 0.0008 -0.0038 -0.0014 291 GLU 20 H 0.0007 -0.0024 0.0000 292 GLU 20 HA 0.0017 -0.0026 -0.0003 293 GLU 20 HB2 0.0005 -0.0031 -0.0006 294 GLU 20 HB3 0.0011 -0.0033 -0.0009 295 GLU 20 HG2 0.0016 -0.0032 -0.0009 296 GLU 20 HG3 0.0010 -0.0030 -0.0006 297 LYS 21 N -0.0010 -0.0017 0.0024 298 LYS 21 CA 0.0004 -0.0021 0.0015 299 LYS 21 C -0.0009 -0.0029 -0.0007 300 LYS 21 O -0.0015 -0.0030 -0.0009 301 LYS 21 CB 0.0030 -0.0023 0.0010 302 LYS 21 CG 0.0046 -0.0024 0.0008 303 LYS 21 CD 0.0073 -0.0026 0.0006 304 LYS 21 CE 0.0089 -0.0027 0.0004 305 LYS 21 NZ 0.0115 -0.0028 0.0002 306 LYS 21 H -0.0003 -0.0017 0.0023 307 LYS 21 HA 0.0004 -0.0016 0.0027 308 LYS 21 HB2 0.0037 -0.0018 0.0023 309 LYS 21 HB3 0.0031 -0.0030 -0.0006 310 LYS 21 HG2 0.0041 -0.0030 -0.0007 311 LYS 21 HG3 0.0044 -0.0018 0.0023 312 LYS 21 HD2 0.0078 -0.0020 0.0020 313 LYS 21 HD3 0.0075 -0.0032 -0.0010 314 LYS 21 HE2 0.0084 -0.0033 -0.0011 315 LYS 21 HE3 0.0087 -0.0021 0.0019 316 LYS 21 HZ1 0.0119 -0.0035 -0.0015 317 LYS 21 HZ2 0.0118 -0.0024 0.0012 318 LYS 21 HZ3 0.0127 -0.0026 0.0008 319 THR 22 N 0.0005 -0.0024 0.0003 320 THR 22 CA 0.0002 -0.0031 0.0008 321 THR 22 C -0.0001 -0.0035 0.0012 322 THR 22 O -0.0005 -0.0038 0.0018 323 THR 22 CB 0.0007 -0.0037 0.0004 324 THR 22 OG1 0.0011 -0.0034 -0.0001 325 THR 22 CG2 0.0005 -0.0044 0.0008 326 THR 22 H 0.0008 -0.0024 -0.0001 327 THR 22 HA -0.0000 -0.0029 0.0010 328 THR 22 HB 0.0009 -0.0040 0.0002 329 THR 22 HG1 0.0011 -0.0036 -0.0001 330 THR 22 HG21 0.0002 -0.0047 0.0011 331 THR 22 HG22 0.0008 -0.0048 0.0005 332 THR 22 HG23 0.0002 -0.0041 0.0010 333 LYS 23 N -0.0017 -0.0036 0.0038 334 LYS 23 CA 0.0003 -0.0029 0.0025 335 LYS 23 C -0.0024 -0.0026 0.0002 336 LYS 23 O -0.0020 -0.0025 0.0000 337 LYS 23 CB 0.0035 -0.0018 0.0002 338 LYS 23 CG 0.0057 -0.0011 -0.0008 339 LYS 23 CD 0.0090 0.0000 -0.0030 340 LYS 23 CE 0.0113 0.0007 -0.0039 341 LYS 23 NZ 0.0145 0.0018 -0.0060 342 LYS 23 H -0.0012 -0.0032 0.0027 343 LYS 23 HA 0.0014 -0.0035 0.0047 344 LYS 23 HB2 0.0053 -0.0020 0.0017 345 LYS 23 HB3 0.0024 -0.0012 -0.0022 346 LYS 23 HG2 0.0040 -0.0009 -0.0024 347 LYS 23 HG3 0.0067 -0.0017 0.0016 348 LYS 23 HD2 0.0108 -0.0002 -0.0014 349 LYS 23 HD3 0.0081 0.0007 -0.0054 350 LYS 23 HE2 0.0096 0.0009 -0.0056 351 LYS 23 HE3 0.0122 0.0000 -0.0015 352 LYS 23 HZ1 0.0138 0.0025 -0.0087 353 LYS 23 HZ2 0.0153 0.0016 -0.0053 354 LYS 23 HZ3 0.0167 0.0019 -0.0055 355 GLN 24 N -0.0022 -0.0026 -0.0000 356 GLN 24 CA -0.0030 -0.0022 -0.0000 357 GLN 24 C -0.0035 -0.0030 -0.0002 358 GLN 24 O -0.0043 -0.0029 -0.0002 359 GLN 24 CB -0.0025 -0.0014 0.0001 360 GLN 24 CG -0.0033 -0.0008 0.0002 361 GLN 24 CD -0.0028 0.0001 0.0004 362 GLN 24 OE1 -0.0019 0.0004 0.0005 363 GLN 24 NE2 -0.0033 0.0005 0.0004 364 GLN 24 H -0.0015 -0.0026 0.0000 365 GLN 24 HA -0.0036 -0.0018 -0.0000 366 GLN 24 HB2 -0.0021 -0.0008 0.0003 367 GLN 24 HB3 -0.0019 -0.0017 0.0001 368 GLN 24 HG2 -0.0037 -0.0013 0.0001 369 GLN 24 HG3 -0.0039 -0.0005 0.0002 370 GLN 24 HE21 -0.0040 0.0003 0.0003 371 GLN 24 HE22 -0.0030 0.0011 0.0005 372 GLY 25 N -0.0039 -0.0031 0.0009 373 GLY 25 CA -0.0047 -0.0037 0.0014 374 GLY 25 C -0.0047 -0.0040 0.0018 375 GLY 25 O -0.0055 -0.0042 0.0018 376 GLY 25 H -0.0033 -0.0032 0.0011 377 GLY 25 HA2 -0.0055 -0.0036 0.0011 378 GLY 25 HA3 -0.0046 -0.0041 0.0019 379 VAL 26 N -0.0040 -0.0034 0.0019 380 VAL 26 CA -0.0040 -0.0038 0.0023 381 VAL 26 C -0.0044 -0.0033 0.0017 382 VAL 26 O -0.0050 -0.0035 0.0019 383 VAL 26 CB -0.0027 -0.0040 0.0027 384 VAL 26 CG1 -0.0024 -0.0047 0.0034 385 VAL 26 CG2 -0.0019 -0.0033 0.0019 386 VAL 26 H -0.0032 -0.0033 0.0018 387 VAL 26 HA -0.0046 -0.0044 0.0029 388 VAL 26 HB -0.0027 -0.0043 0.0029 389 VAL 26 HG11 -0.0030 -0.0052 0.0039 390 VAL 26 HG12 -0.0015 -0.0049 0.0037 391 VAL 26 HG13 -0.0023 -0.0045 0.0031 392 VAL 26 HG21 -0.0019 -0.0031 0.0017 393 VAL 26 HG22 -0.0010 -0.0035 0.0022 394 VAL 26 HG23 -0.0021 -0.0028 0.0014 395 ALA 27 N -0.0049 -0.0032 0.0013 396 ALA 27 CA -0.0053 -0.0028 0.0012 397 ALA 27 C -0.0059 -0.0028 0.0013 398 ALA 27 O -0.0062 -0.0029 0.0014 399 ALA 27 CB -0.0051 -0.0023 0.0009 400 ALA 27 H -0.0046 -0.0030 0.0012 401 ALA 27 HA -0.0052 -0.0030 0.0013 402 ALA 27 HB1 -0.0050 -0.0022 0.0008 403 ALA 27 HB2 -0.0047 -0.0023 0.0008 404 ALA 27 HB3 -0.0054 -0.0021 0.0008 405 GLU 28 N -0.0043 -0.0036 0.0014 406 GLU 28 CA -0.0043 -0.0035 0.0014 407 GLU 28 C -0.0041 -0.0029 0.0020 408 GLU 28 O -0.0037 -0.0028 0.0021 409 GLU 28 CB -0.0051 -0.0037 0.0012 410 GLU 28 CG -0.0053 -0.0044 0.0006 411 GLU 28 CD -0.0061 -0.0045 0.0004 412 GLU 28 OE1 -0.0065 -0.0042 0.0008 413 GLU 28 OE2 -0.0063 -0.0051 -0.0000 414 GLU 28 H -0.0048 -0.0036 0.0013 415 GLU 28 HA -0.0038 -0.0038 0.0012 416 GLU 28 HB2 -0.0056 -0.0035 0.0015 417 GLU 28 HB3 -0.0051 -0.0036 0.0013 418 GLU 28 HG2 -0.0048 -0.0046 0.0004 419 GLU 28 HG3 -0.0052 -0.0045 0.0005 420 ALA 29 N -0.0039 -0.0024 0.0013 421 ALA 29 CA -0.0035 -0.0013 0.0005 422 ALA 29 C -0.0032 -0.0008 0.0001 423 ALA 29 O -0.0023 -0.0004 -0.0005 424 ALA 29 CB -0.0045 -0.0006 0.0005 425 ALA 29 H -0.0047 -0.0025 0.0016 426 ALA 29 HA -0.0028 -0.0015 0.0003 427 ALA 29 HB1 -0.0049 -0.0010 0.0009 428 ALA 29 HB2 -0.0042 0.0001 -0.0000 429 ALA 29 HB3 -0.0051 -0.0002 0.0006 430 ALA 30 N -0.0041 -0.0006 -0.0001 431 ALA 30 CA -0.0040 -0.0004 -0.0003 432 ALA 30 C -0.0022 -0.0009 0.0001 433 ALA 30 O -0.0011 -0.0000 -0.0005 434 ALA 30 CB -0.0056 -0.0012 0.0004 435 ALA 30 H -0.0051 -0.0011 0.0003 436 ALA 30 HA -0.0042 0.0007 -0.0012 437 ALA 30 HB1 -0.0055 -0.0023 0.0013 438 ALA 30 HB2 -0.0069 -0.0008 0.0000 439 ALA 30 HB3 -0.0054 -0.0011 0.0003 440 GLY 31 N -0.0025 -0.0009 0.0011 441 GLY 31 CA -0.0008 -0.0015 0.0015 442 GLY 31 C 0.0006 -0.0006 0.0010 443 GLY 31 O 0.0021 -0.0005 0.0009 444 GLY 31 H -0.0034 -0.0016 0.0015 445 GLY 31 HA2 -0.0007 -0.0013 0.0015 446 GLY 31 HA3 -0.0007 -0.0025 0.0024 447 LYS 32 N 0.0014 0.0013 0.0019 448 LYS 32 CA 0.0032 0.0019 0.0010 449 LYS 32 C 0.0029 0.0022 -0.0006 450 LYS 32 O 0.0039 0.0025 -0.0008 451 LYS 32 CB 0.0039 0.0022 0.0003 452 LYS 32 CG 0.0060 0.0028 -0.0000 453 LYS 32 CD 0.0068 0.0031 -0.0005 454 LYS 32 CE 0.0089 0.0036 -0.0007 455 LYS 32 NZ 0.0094 0.0041 -0.0022 456 LYS 32 H 0.0007 0.0012 0.0018 457 LYS 32 HA 0.0042 0.0019 0.0020 458 LYS 32 HB2 0.0037 0.0019 0.0013 459 LYS 32 HB3 0.0032 0.0024 -0.0010 460 LYS 32 HG2 0.0062 0.0031 -0.0011 461 LYS 32 HG3 0.0068 0.0026 0.0012 462 LYS 32 HD2 0.0065 0.0028 0.0005 463 LYS 32 HD3 0.0062 0.0033 -0.0019 464 LYS 32 HE2 0.0096 0.0034 0.0006 465 LYS 32 HE3 0.0095 0.0038 -0.0010 466 LYS 32 HZ1 0.0107 0.0043 -0.0019 467 LYS 32 HZ2 0.0083 0.0039 -0.0023 468 LYS 32 HZ3 0.0094 0.0044 -0.0034 469 THR 33 N 0.0022 0.0023 -0.0018 470 THR 33 CA 0.0019 0.0025 -0.0028 471 THR 33 C 0.0017 0.0020 -0.0017 472 THR 33 O 0.0019 0.0023 -0.0021 473 THR 33 CB 0.0006 0.0021 -0.0040 474 THR 33 OG1 0.0007 0.0024 -0.0048 475 THR 33 CG2 0.0005 0.0024 -0.0052 476 THR 33 H 0.0015 0.0019 -0.0019 477 THR 33 HA 0.0028 0.0032 -0.0033 478 THR 33 HB -0.0003 0.0014 -0.0034 479 THR 33 HG1 0.0009 0.0023 -0.0041 480 THR 33 HG21 -0.0004 0.0023 -0.0062 481 THR 33 HG22 0.0015 0.0032 -0.0056 482 THR 33 HG23 0.0002 0.0021 -0.0046 483 LYS 34 N 0.0005 0.0020 0.0011 484 LYS 34 CA 0.0019 0.0025 -0.0005 485 LYS 34 C 0.0006 0.0017 -0.0013 486 LYS 34 O 0.0013 0.0021 -0.0015 487 LYS 34 CB 0.0029 0.0027 -0.0028 488 LYS 34 CG 0.0048 0.0035 -0.0040 489 LYS 34 CD 0.0058 0.0037 -0.0061 490 LYS 34 CE 0.0078 0.0045 -0.0074 491 LYS 34 NZ 0.0096 0.0057 -0.0057 492 LYS 34 H 0.0003 0.0018 0.0006 493 LYS 34 HA 0.0033 0.0034 0.0005 494 LYS 34 HB2 0.0034 0.0030 -0.0022 495 LYS 34 HB3 0.0016 0.0018 -0.0041 496 LYS 34 HG2 0.0043 0.0031 -0.0047 497 LYS 34 HG3 0.0061 0.0043 -0.0027 498 LYS 34 HD2 0.0064 0.0041 -0.0055 499 LYS 34 HD3 0.0046 0.0028 -0.0074 500 LYS 34 HE2 0.0084 0.0046 -0.0090 501 LYS 34 HE3 0.0073 0.0041 -0.0079 502 LYS 34 HZ1 0.0107 0.0062 -0.0063 503 LYS 34 HZ2 0.0104 0.0061 -0.0056 504 LYS 34 HZ3 0.0089 0.0056 -0.0040 505 GLU 35 N 0.0011 0.0034 0.0001 506 GLU 35 CA 0.0010 0.0040 0.0007 507 GLU 35 C 0.0012 0.0035 0.0001 508 GLU 35 O 0.0009 0.0036 0.0005 509 GLU 35 CB 0.0017 0.0053 0.0010 510 GLU 35 CG 0.0016 0.0060 0.0017 511 GLU 35 CD 0.0023 0.0073 0.0020 512 GLU 35 OE1 0.0032 0.0076 0.0013 513 GLU 35 OE2 0.0019 0.0079 0.0029 514 GLU 35 H 0.0017 0.0037 -0.0003 515 GLU 35 HA 0.0002 0.0039 0.0014 516 GLU 35 HB2 0.0016 0.0056 0.0014 517 GLU 35 HB3 0.0025 0.0054 0.0002 518 GLU 35 HG2 0.0017 0.0057 0.0012 519 GLU 35 HG3 0.0008 0.0058 0.0024 520 GLY 36 N 0.0026 0.0029 -0.0014 521 GLY 36 CA 0.0030 0.0020 -0.0023 522 GLY 36 C 0.0015 0.0009 -0.0023 523 GLY 36 O 0.0012 0.0008 -0.0022 524 GLY 36 H 0.0030 0.0030 -0.0016 525 GLY 36 HA2 0.0037 0.0026 -0.0023 526 GLY 36 HA3 0.0036 0.0014 -0.0032 527 VAL 37 N 0.0002 -0.0001 -0.0015 528 VAL 37 CA -0.0012 -0.0011 -0.0014 529 VAL 37 C -0.0025 -0.0003 -0.0008 530 VAL 37 O -0.0036 -0.0011 -0.0007 531 VAL 37 CB -0.0014 -0.0015 -0.0014 532 VAL 37 CG1 -0.0001 -0.0023 -0.0019 533 VAL 37 CG2 -0.0016 0.0000 -0.0010 534 VAL 37 H 0.0008 0.0002 -0.0016 535 VAL 37 HA -0.0011 -0.0022 -0.0016 536 VAL 37 HB -0.0025 -0.0022 -0.0012 537 VAL 37 HG11 -0.0004 -0.0028 -0.0019 538 VAL 37 HG12 0.0009 -0.0016 -0.0020 539 VAL 37 HG13 0.0001 -0.0033 -0.0022 540 VAL 37 HG21 -0.0025 0.0006 -0.0006 541 VAL 37 HG22 -0.0005 0.0008 -0.0011 542 VAL 37 HG23 -0.0017 -0.0002 -0.0010 543 LEU 38 N -0.0031 0.0003 -0.0010 544 LEU 38 CA -0.0048 0.0017 0.0005 545 LEU 38 C -0.0032 0.0023 0.0004 546 LEU 38 O -0.0008 0.0035 0.0005 547 LEU 38 CB -0.0052 0.0042 0.0023 548 LEU 38 CG -0.0074 0.0054 0.0039 549 LEU 38 CD1 -0.0105 0.0043 0.0041 550 LEU 38 CD2 -0.0069 0.0083 0.0057 551 LEU 38 H -0.0017 0.0012 -0.0008 552 LEU 38 HA -0.0069 0.0006 0.0004 553 LEU 38 HB2 -0.0060 0.0038 0.0023 554 LEU 38 HB3 -0.0031 0.0054 0.0025 555 LEU 38 HG -0.0071 0.0052 0.0036 556 LEU 38 HD11 -0.0110 0.0024 0.0030 557 LEU 38 HD12 -0.0120 0.0054 0.0053 558 LEU 38 HD13 -0.0107 0.0042 0.0041 559 LEU 38 HD21 -0.0066 0.0085 0.0058 560 LEU 38 HD22 -0.0087 0.0091 0.0068 561 LEU 38 HD23 -0.0049 0.0092 0.0057 562 TYR 39 N -0.0035 0.0021 0.0000 563 TYR 39 CA -0.0013 0.0035 -0.0001 564 TYR 39 C -0.0008 0.0076 0.0028 565 TYR 39 O -0.0029 0.0090 0.0050 566 TYR 39 CB -0.0037 0.0016 -0.0003 567 TYR 39 CG -0.0029 -0.0021 -0.0035 568 TYR 39 CD1 -0.0052 -0.0051 -0.0047 569 TYR 39 CD2 0.0002 -0.0023 -0.0054 570 TYR 39 CE1 -0.0044 -0.0084 -0.0077 571 TYR 39 CE2 0.0010 -0.0057 -0.0084 572 TYR 39 CZ -0.0013 -0.0087 -0.0095 573 TYR 39 OH -0.0005 -0.0120 -0.0125 574 TYR 39 H -0.0063 0.0004 0.0002 575 TYR 39 HA 0.0017 0.0031 -0.0020 576 TYR 39 HB2 -0.0069 0.0011 0.0010 577 TYR 39 HB3 -0.0027 0.0032 0.0004 578 TYR 39 HD1 -0.0075 -0.0049 -0.0032 579 TYR 39 HD2 0.0020 -0.0000 -0.0045 580 TYR 39 HE1 -0.0061 -0.0108 -0.0085 581 TYR 39 HE2 0.0034 -0.0059 -0.0098 582 TYR 39 HH 0.0016 -0.0117 -0.0134 583 VAL 40 N 0.0024 0.0083 0.0029 584 VAL 40 CA 0.0027 0.0072 0.0032 585 VAL 40 C 0.0035 0.0074 0.0031 586 VAL 40 O 0.0031 0.0075 0.0031 587 VAL 40 CB 0.0017 0.0066 0.0034 588 VAL 40 CG1 0.0020 0.0053 0.0037 589 VAL 40 CG2 0.0007 0.0066 0.0034 590 VAL 40 H 0.0022 0.0090 0.0028 591 VAL 40 HA 0.0032 0.0067 0.0033 592 VAL 40 HB 0.0013 0.0069 0.0033 593 VAL 40 HG11 0.0028 0.0053 0.0037 594 VAL 40 HG12 0.0013 0.0049 0.0038 595 VAL 40 HG13 0.0021 0.0049 0.0038 596 VAL 40 HG21 0.0000 0.0061 0.0036 597 VAL 40 HG22 0.0004 0.0075 0.0032 598 VAL 40 HG23 0.0011 0.0064 0.0035 599 GLY 41 N 0.0054 0.0067 0.0035 600 GLY 41 CA 0.0075 0.0074 0.0033 601 GLY 41 C 0.0065 0.0050 0.0037 602 GLY 41 O 0.0076 0.0053 0.0036 603 GLY 41 H 0.0065 0.0065 0.0035 604 GLY 41 HA2 0.0071 0.0099 0.0029 605 GLY 41 HA3 0.0101 0.0070 0.0033 606 SER 42 N 0.0053 0.0034 0.0025 607 SER 42 CA 0.0036 0.0008 0.0024 608 SER 42 C 0.0006 0.0018 0.0034 609 SER 42 O -0.0002 0.0011 0.0035 610 SER 42 CB 0.0031 -0.0017 0.0021 611 SER 42 OG 0.0025 -0.0044 0.0018 612 SER 42 H 0.0053 0.0037 0.0025 613 SER 42 HA 0.0049 -0.0000 0.0020 614 SER 42 HB2 0.0051 -0.0019 0.0016 615 SER 42 HB3 0.0013 -0.0011 0.0027 616 SER 42 HG 0.0041 -0.0049 0.0013 617 LYS 43 N -0.0018 0.0033 0.0025 618 LYS 43 CA -0.0038 0.0040 0.0031 619 LYS 43 C -0.0037 0.0058 0.0039 620 LYS 43 O -0.0036 0.0071 0.0044 621 LYS 43 CB -0.0046 0.0041 0.0033 622 LYS 43 CG -0.0067 0.0046 0.0038 623 LYS 43 CD -0.0076 0.0047 0.0039 624 LYS 43 CE -0.0084 0.0028 0.0033 625 LYS 43 NZ -0.0068 0.0017 0.0026 626 LYS 43 H -0.0011 0.0035 0.0025 627 LYS 43 HA -0.0047 0.0031 0.0029 628 LYS 43 HB2 -0.0045 0.0029 0.0027 629 LYS 43 HB3 -0.0038 0.0051 0.0036 630 LYS 43 HG2 -0.0067 0.0059 0.0044 631 LYS 43 HG3 -0.0075 0.0037 0.0035 632 LYS 43 HD2 -0.0065 0.0051 0.0040 633 LYS 43 HD3 -0.0087 0.0056 0.0045 634 LYS 43 HE2 -0.0093 0.0029 0.0035 635 LYS 43 HE3 -0.0092 0.0022 0.0031 636 LYS 43 HZ1 -0.0064 0.0010 0.0022 637 LYS 43 HZ2 -0.0073 0.0008 0.0022 638 LYS 43 HZ3 -0.0057 0.0024 0.0027 639 THR 44 N -0.0007 0.0037 0.0035 640 THR 44 CA -0.0006 0.0063 0.0049 641 THR 44 C -0.0040 0.0071 0.0060 642 THR 44 O -0.0062 0.0055 0.0056 643 THR 44 CB 0.0008 0.0059 0.0044 644 THR 44 OG1 0.0038 0.0051 0.0033 645 THR 44 CG2 0.0008 0.0086 0.0058 646 THR 44 H -0.0010 0.0019 0.0025 647 THR 44 HA 0.0007 0.0079 0.0055 648 THR 44 HB -0.0006 0.0043 0.0038 649 THR 44 HG1 0.0044 0.0042 0.0027 650 THR 44 HG21 0.0024 0.0085 0.0055 651 THR 44 HG22 0.0016 0.0103 0.0066 652 THR 44 HG23 -0.0014 0.0088 0.0064 653 LYS 45 N -0.0024 0.0060 0.0074 654 LYS 45 CA -0.0080 0.0069 0.0106 655 LYS 45 C -0.0115 0.0019 0.0094 656 LYS 45 O -0.0159 -0.0003 0.0103 657 LYS 45 CB -0.0076 0.0116 0.0130 658 LYS 45 CG -0.0036 0.0164 0.0138 659 LYS 45 CD -0.0032 0.0211 0.0161 660 LYS 45 CE 0.0014 0.0257 0.0165 661 LYS 45 NZ 0.0002 0.0271 0.0179 662 LYS 45 H 0.0008 0.0086 0.0073 663 LYS 45 HA -0.0099 0.0078 0.0119 664 LYS 45 HB2 -0.0061 0.0105 0.0117 665 LYS 45 HB3 -0.0116 0.0125 0.0154 666 LYS 45 HG2 -0.0052 0.0175 0.0151 667 LYS 45 HG3 0.0004 0.0155 0.0114 668 LYS 45 HD2 -0.0022 0.0199 0.0150 669 LYS 45 HD3 -0.0070 0.0224 0.0187 670 LYS 45 HE2 0.0053 0.0244 0.0140 671 LYS 45 HE3 0.0016 0.0291 0.0183 672 LYS 45 HZ1 -0.0034 0.0286 0.0204 673 LYS 45 HZ2 0.0035 0.0300 0.0180 674 LYS 45 HZ3 -0.0003 0.0238 0.0163 675 GLU 46 N -0.0097 0.0034 0.0095 676 GLU 46 CA -0.0125 0.0035 0.0079 677 GLU 46 C -0.0115 0.0041 0.0049 678 GLU 46 O -0.0129 0.0042 0.0039 679 GLU 46 CB -0.0146 0.0034 0.0072 680 GLU 46 CG -0.0176 0.0034 0.0058 681 GLU 46 CD -0.0198 0.0033 0.0052 682 GLU 46 OE1 -0.0188 0.0034 0.0055 683 GLU 46 OE2 -0.0225 0.0032 0.0046 684 GLU 46 H -0.0097 0.0032 0.0103 685 GLU 46 HA -0.0136 0.0031 0.0093 686 GLU 46 HB2 -0.0152 0.0029 0.0093 687 GLU 46 HB3 -0.0136 0.0038 0.0057 688 GLU 46 HG2 -0.0171 0.0039 0.0036 689 GLU 46 HG3 -0.0186 0.0030 0.0072 690 GLY 47 N -0.0104 0.0025 0.0050 691 GLY 47 CA -0.0104 0.0018 0.0039 692 GLY 47 C -0.0109 0.0017 0.0034 693 GLY 47 O -0.0114 0.0015 0.0026 694 GLY 47 H -0.0097 0.0025 0.0056 695 GLY 47 HA2 -0.0109 0.0018 0.0036 696 GLY 47 HA3 -0.0096 0.0013 0.0039 697 VAL 48 N -0.0091 0.0019 0.0027 698 VAL 48 CA -0.0092 0.0017 0.0016 699 VAL 48 C -0.0093 0.0027 0.0010 700 VAL 48 O -0.0094 0.0028 0.0002 701 VAL 48 CB -0.0093 0.0012 0.0015 702 VAL 48 CG1 -0.0094 0.0011 0.0003 703 VAL 48 CG2 -0.0092 0.0001 0.0019 704 VAL 48 H -0.0090 0.0018 0.0031 705 VAL 48 HA -0.0093 0.0012 0.0013 706 VAL 48 HB -0.0092 0.0016 0.0018 707 VAL 48 HG11 -0.0095 0.0008 -0.0000 708 VAL 48 HG12 -0.0095 0.0018 0.0001 709 VAL 48 HG13 -0.0094 0.0006 0.0002 710 VAL 48 HG21 -0.0092 -0.0002 0.0019 711 VAL 48 HG22 -0.0091 0.0002 0.0027 712 VAL 48 HG23 -0.0093 -0.0003 0.0015 713 VAL 49 N -0.0075 0.0024 0.0022 714 VAL 49 CA -0.0078 0.0041 0.0013 715 VAL 49 C -0.0080 0.0054 0.0005 716 VAL 49 O -0.0080 0.0063 -0.0010 717 VAL 49 CB -0.0084 0.0051 0.0027 718 VAL 49 CG1 -0.0087 0.0069 0.0019 719 VAL 49 CG2 -0.0081 0.0038 0.0033 720 VAL 49 H -0.0077 0.0020 0.0035 721 VAL 49 HA -0.0075 0.0037 0.0001 722 VAL 49 HB -0.0087 0.0053 0.0040 723 VAL 49 HG11 -0.0090 0.0075 0.0028 724 VAL 49 HG12 -0.0084 0.0067 0.0005 725 VAL 49 HG13 -0.0089 0.0079 0.0018 726 VAL 49 HG21 -0.0085 0.0044 0.0045 727 VAL 49 HG22 -0.0079 0.0024 0.0038 728 VAL 49 HG23 -0.0079 0.0038 0.0022 729 HIS 50 N -0.0078 0.0036 -0.0005 730 HIS 50 CA -0.0065 0.0048 0.0018 731 HIS 50 C -0.0082 0.0031 0.0014 732 HIS 50 O -0.0072 0.0041 0.0018 733 HIS 50 CB -0.0063 0.0047 0.0060 734 HIS 50 CG -0.0050 0.0059 0.0083 735 HIS 50 ND1 -0.0027 0.0084 0.0072 736 HIS 50 CD2 -0.0056 0.0050 0.0115 737 HIS 50 CE1 -0.0020 0.0089 0.0099 738 HIS 50 NE2 -0.0037 0.0069 0.0126 739 HIS 50 H -0.0086 0.0027 0.0008 740 HIS 50 HA -0.0046 0.0069 0.0008 741 HIS 50 HB2 -0.0052 0.0059 0.0062 742 HIS 50 HB3 -0.0082 0.0026 0.0069 743 HIS 50 HD1 -0.0017 0.0096 0.0050 744 HIS 50 HD2 -0.0073 0.0031 0.0131 745 HIS 50 HE1 -0.0003 0.0107 0.0098 746 HIS 50 HE2 -0.0037 0.0068 0.0148 747 GLY 51 N -0.0084 0.0008 -0.0004 748 GLY 51 CA -0.0092 -0.0009 -0.0016 749 GLY 51 C -0.0079 0.0001 -0.0058 750 GLY 51 O -0.0068 0.0017 -0.0063 751 GLY 51 H -0.0094 -0.0007 -0.0001 752 GLY 51 HA2 -0.0091 0.0000 0.0005 753 GLY 51 HA3 -0.0109 -0.0037 -0.0017 754 VAL 52 N -0.0058 0.0002 -0.0081 755 VAL 52 CA -0.0052 0.0011 -0.0117 756 VAL 52 C -0.0025 0.0042 -0.0114 757 VAL 52 O -0.0018 0.0050 -0.0132 758 VAL 52 CB -0.0056 0.0009 -0.0149 759 VAL 52 CG1 -0.0083 -0.0022 -0.0153 760 VAL 52 CG2 -0.0039 0.0027 -0.0140 761 VAL 52 H -0.0065 -0.0005 -0.0080 762 VAL 52 HA -0.0064 -0.0003 -0.0122 763 VAL 52 HB -0.0050 0.0017 -0.0175 764 VAL 52 HG11 -0.0095 -0.0034 -0.0164 765 VAL 52 HG12 -0.0085 -0.0023 -0.0171 766 VAL 52 HG13 -0.0090 -0.0031 -0.0125 767 VAL 52 HG21 -0.0043 0.0021 -0.0113 768 VAL 52 HG22 -0.0043 0.0024 -0.0162 769 VAL 52 HG23 -0.0019 0.0049 -0.0140 770 ALA 53 N -0.0009 0.0030 -0.0088 771 ALA 53 CA 0.0023 0.0056 -0.0083 772 ALA 53 C 0.0026 0.0058 -0.0056 773 ALA 53 O 0.0045 0.0073 -0.0061 774 ALA 53 CB 0.0040 0.0070 -0.0065 775 ALA 53 H -0.0016 0.0023 -0.0077 776 ALA 53 HA 0.0032 0.0064 -0.0110 777 ALA 53 HB1 0.0034 0.0064 -0.0035 778 ALA 53 HB2 0.0034 0.0065 -0.0080 779 ALA 53 HB3 0.0063 0.0089 -0.0067 780 THR 54 N 0.0008 0.0017 -0.0061 781 THR 54 CA 0.0010 0.0022 -0.0037 782 THR 54 C 0.0003 0.0017 -0.0049 783 THR 54 O 0.0016 0.0025 -0.0043 784 THR 54 CB -0.0009 0.0015 -0.0011 785 THR 54 OG1 -0.0005 0.0018 -0.0003 786 THR 54 CG2 -0.0004 0.0022 0.0015 787 THR 54 H -0.0007 0.0008 -0.0061 788 THR 54 HA 0.0029 0.0035 -0.0031 789 THR 54 HB -0.0028 0.0002 -0.0017 790 THR 54 HG1 -0.0022 0.0008 0.0002 791 THR 54 HG21 0.0014 0.0034 0.0023 792 THR 54 HG22 -0.0003 0.0021 0.0008 793 THR 54 HG23 -0.0018 0.0015 0.0032 794 VAL 55 N 0.0008 0.0006 -0.0079 795 VAL 55 CA 0.0005 0.0006 -0.0078 796 VAL 55 C 0.0028 0.0006 -0.0088 797 VAL 55 O 0.0033 0.0008 -0.0084 798 VAL 55 CB -0.0017 -0.0001 -0.0093 799 VAL 55 CG1 -0.0019 -0.0001 -0.0094 800 VAL 55 CG2 -0.0041 -0.0000 -0.0081 801 VAL 55 H -0.0003 0.0002 -0.0089 802 VAL 55 HA 0.0001 0.0011 -0.0060 803 VAL 55 HB -0.0015 -0.0006 -0.0110 804 VAL 55 HG11 -0.0016 0.0004 -0.0077 805 VAL 55 HG12 -0.0005 -0.0003 -0.0106 806 VAL 55 HG13 -0.0036 -0.0005 -0.0100 807 VAL 55 HG21 -0.0042 0.0005 -0.0063 808 VAL 55 HG22 -0.0056 -0.0005 -0.0091 809 VAL 55 HG23 -0.0040 -0.0000 -0.0081 810 ALA 56 N 0.0055 0.0011 -0.0086 811 ALA 56 CA 0.0076 0.0010 -0.0095 812 ALA 56 C 0.0099 0.0003 -0.0066 813 ALA 56 O 0.0110 0.0001 -0.0063 814 ALA 56 CB 0.0096 0.0012 -0.0126 815 ALA 56 H 0.0059 0.0012 -0.0097 816 ALA 56 HA 0.0060 0.0013 -0.0099 817 ALA 56 HB1 0.0081 0.0017 -0.0144 818 ALA 56 HB2 0.0107 0.0012 -0.0135 819 ALA 56 HB3 0.0116 0.0009 -0.0120 820 GLU 57 N 0.0095 -0.0023 -0.0053 821 GLU 57 CA 0.0113 -0.0019 -0.0033 822 GLU 57 C 0.0097 -0.0028 -0.0020 823 GLU 57 O 0.0106 -0.0025 -0.0017 824 GLU 57 CB 0.0124 -0.0019 -0.0008 825 GLU 57 CG 0.0143 -0.0009 -0.0019 826 GLU 57 CD 0.0153 -0.0009 0.0005 827 GLU 57 OE1 0.0146 -0.0017 0.0029 828 GLU 57 OE2 0.0168 -0.0002 -0.0001 829 GLU 57 H 0.0088 -0.0027 -0.0047 830 GLU 57 HA 0.0129 -0.0010 -0.0044 831 GLU 57 HB2 0.0107 -0.0028 0.0002 832 GLU 57 HB3 0.0135 -0.0018 0.0008 833 GLU 57 HG2 0.0160 -0.0000 -0.0028 834 GLU 57 HG3 0.0133 -0.0010 -0.0036 835 LYS 58 N 0.0081 -0.0054 -0.0041 836 LYS 58 CA 0.0075 -0.0048 -0.0024 837 LYS 58 C 0.0078 -0.0050 -0.0026 838 LYS 58 O 0.0083 -0.0048 -0.0013 839 LYS 58 CB 0.0054 -0.0042 -0.0022 840 LYS 58 CG 0.0051 -0.0039 -0.0016 841 LYS 58 CD 0.0030 -0.0033 -0.0015 842 LYS 58 CE 0.0028 -0.0031 -0.0009 843 LYS 58 NZ 0.0007 -0.0024 -0.0008 844 LYS 58 H 0.0072 -0.0054 -0.0050 845 LYS 58 HA 0.0083 -0.0048 -0.0011 846 LYS 58 HB2 0.0046 -0.0042 -0.0035 847 LYS 58 HB3 0.0049 -0.0037 -0.0010 848 LYS 58 HG2 0.0059 -0.0038 -0.0003 849 LYS 58 HG3 0.0057 -0.0044 -0.0027 850 LYS 58 HD2 0.0023 -0.0034 -0.0028 851 LYS 58 HD3 0.0025 -0.0028 -0.0004 852 LYS 58 HE2 0.0035 -0.0029 0.0004 853 LYS 58 HE3 0.0034 -0.0035 -0.0020 854 LYS 58 HZ1 0.0001 -0.0021 -0.0003 855 LYS 58 HZ2 0.0001 -0.0026 -0.0022 856 LYS 58 HZ3 0.0006 -0.0022 0.0000 857 THR 59 N 0.0096 -0.0032 -0.0027 858 THR 59 CA 0.0089 -0.0026 -0.0006 859 THR 59 C 0.0081 -0.0046 0.0006 860 THR 59 O 0.0075 -0.0045 0.0024 861 THR 59 CB 0.0090 -0.0016 -0.0005 862 THR 59 OG1 0.0098 0.0001 -0.0019 863 THR 59 CG2 0.0083 -0.0006 0.0016 864 THR 59 H 0.0101 -0.0027 -0.0038 865 THR 59 HA 0.0088 -0.0014 0.0001 866 THR 59 HB 0.0090 -0.0028 -0.0009 867 THR 59 HG1 0.0101 -0.0002 -0.0029 868 THR 59 HG21 0.0078 -0.0018 0.0027 869 THR 59 HG22 0.0084 -0.0002 0.0017 870 THR 59 HG23 0.0084 0.0007 0.0019 871 LYS 60 N 0.0058 -0.0062 0.0001 872 LYS 60 CA 0.0060 -0.0077 0.0011 873 LYS 60 C 0.0044 -0.0108 0.0038 874 LYS 60 O 0.0025 -0.0117 0.0049 875 LYS 60 CB 0.0100 -0.0085 0.0004 876 LYS 60 CG 0.0114 -0.0054 -0.0022 877 LYS 60 CD 0.0155 -0.0061 -0.0029 878 LYS 60 CE 0.0169 -0.0030 -0.0055 879 LYS 60 NZ 0.0151 -0.0018 -0.0058 880 LYS 60 H 0.0081 -0.0062 -0.0006 881 LYS 60 HA 0.0044 -0.0062 0.0005 882 LYS 60 HB2 0.0118 -0.0097 0.0007 883 LYS 60 HB3 0.0102 -0.0100 0.0014 884 LYS 60 HG2 0.0097 -0.0042 -0.0025 885 LYS 60 HG3 0.0112 -0.0038 -0.0032 886 LYS 60 HD2 0.0171 -0.0073 -0.0026 887 LYS 60 HD3 0.0157 -0.0077 -0.0019 888 LYS 60 HE2 0.0161 -0.0013 -0.0065 889 LYS 60 HE3 0.0198 -0.0035 -0.0060 890 LYS 60 HZ1 0.0124 -0.0006 -0.0058 891 LYS 60 HZ2 0.0150 -0.0037 -0.0044 892 LYS 60 HZ3 0.0167 -0.0002 -0.0074 893 GLU 61 N 0.0052 -0.0119 -0.0013 894 GLU 61 CA 0.0043 -0.0145 -0.0023 895 GLU 61 C 0.0028 -0.0157 -0.0035 896 GLU 61 O 0.0013 -0.0173 -0.0047 897 GLU 61 CB 0.0065 -0.0166 -0.0014 898 GLU 61 CG 0.0079 -0.0155 -0.0004 899 GLU 61 CD 0.0101 -0.0175 0.0006 900 GLU 61 OE1 0.0105 -0.0196 0.0004 901 GLU 61 OE2 0.0114 -0.0170 0.0015 902 GLU 61 H 0.0069 -0.0118 -0.0002 903 GLU 61 HA 0.0033 -0.0141 -0.0029 904 GLU 61 HB2 0.0077 -0.0168 -0.0007 905 GLU 61 HB3 0.0059 -0.0186 -0.0022 906 GLU 61 HG2 0.0067 -0.0154 -0.0011 907 GLU 61 HG3 0.0084 -0.0135 0.0003 908 GLN 62 N 0.0058 -0.0127 -0.0043 909 GLN 62 CA 0.0069 -0.0111 -0.0028 910 GLN 62 C 0.0025 -0.0107 0.0008 911 GLN 62 O 0.0004 -0.0120 0.0003 912 GLN 62 CB 0.0115 -0.0077 -0.0009 913 GLN 62 CG 0.0130 -0.0063 0.0002 914 GLN 62 CD 0.0177 -0.0029 0.0020 915 GLN 62 OE1 0.0174 -0.0002 0.0059 916 GLN 62 NE2 0.0220 -0.0028 -0.0008 917 GLN 62 H 0.0071 -0.0113 -0.0032 918 GLN 62 HA 0.0076 -0.0127 -0.0056 919 GLN 62 HB2 0.0145 -0.0080 -0.0033 920 GLN 62 HB3 0.0106 -0.0060 0.0022 921 GLN 62 HG2 0.0101 -0.0059 0.0026 922 GLN 62 HG3 0.0138 -0.0080 -0.0029 923 GLN 62 HE21 0.0222 -0.0049 -0.0040 924 GLN 62 HE22 0.0250 -0.0007 0.0003 925 VAL 63 N 0.0020 -0.0091 0.0046 926 VAL 63 CA -0.0025 -0.0083 0.0079 927 VAL 63 C -0.0069 -0.0118 0.0060 928 VAL 63 O -0.0103 -0.0121 0.0074 929 VAL 63 CB -0.0035 -0.0058 0.0112 930 VAL 63 CG1 0.0010 -0.0023 0.0130 931 VAL 63 CG2 -0.0044 -0.0078 0.0093 932 VAL 63 H 0.0041 -0.0079 0.0050 933 VAL 63 HA -0.0019 -0.0069 0.0092 934 VAL 63 HB -0.0067 -0.0052 0.0136 935 VAL 63 HG11 0.0043 -0.0030 0.0105 936 VAL 63 HG12 0.0014 -0.0008 0.0145 937 VAL 63 HG13 0.0004 -0.0007 0.0151 938 VAL 63 HG21 -0.0079 -0.0100 0.0087 939 VAL 63 HG22 -0.0015 -0.0090 0.0065 940 VAL 63 HG23 -0.0043 -0.0059 0.0114 941 THR 64 N -0.0077 -0.0136 0.0031 942 THR 64 CA -0.0126 -0.0171 0.0006 943 THR 64 C -0.0121 -0.0188 -0.0022 944 THR 64 O -0.0161 -0.0200 -0.0019 945 THR 64 CB -0.0127 -0.0195 -0.0030 946 THR 64 OG1 -0.0072 -0.0194 -0.0057 947 THR 64 CG2 -0.0148 -0.0183 -0.0002 948 THR 64 H -0.0050 -0.0133 0.0021 949 THR 64 HA -0.0164 -0.0166 0.0033 950 THR 64 HB -0.0154 -0.0222 -0.0055 951 THR 64 HG1 -0.0046 -0.0169 -0.0034 952 THR 64 HG21 -0.0137 -0.0195 -0.0025 953 THR 64 HG22 -0.0129 -0.0155 0.0030 954 THR 64 HG23 -0.0193 -0.0192 0.0010 955 ASN 65 N -0.0086 -0.0190 -0.0044 956 ASN 65 CA -0.0069 -0.0203 -0.0083 957 ASN 65 C -0.0066 -0.0172 -0.0025 958 ASN 65 O -0.0099 -0.0188 -0.0028 959 ASN 65 CB 0.0010 -0.0197 -0.0137 960 ASN 65 CG 0.0000 -0.0238 -0.0209 961 ASN 65 OD1 0.0042 -0.0232 -0.0232 962 ASN 65 ND2 -0.0053 -0.0280 -0.0246 963 ASN 65 H -0.0046 -0.0177 -0.0050 964 ASN 65 HA -0.0114 -0.0239 -0.0115 965 ASN 65 HB2 0.0051 -0.0165 -0.0109 966 ASN 65 HB3 0.0032 -0.0195 -0.0151 967 ASN 65 HD21 -0.0086 -0.0285 -0.0228 968 ASN 65 HD22 -0.0060 -0.0307 -0.0293 969 VAL 66 N -0.0042 -0.0140 0.0008 970 VAL 66 CA -0.0042 -0.0129 0.0026 971 VAL 66 C -0.0070 -0.0128 0.0045 972 VAL 66 O -0.0079 -0.0125 0.0055 973 VAL 66 CB -0.0017 -0.0112 0.0042 974 VAL 66 CG1 -0.0016 -0.0100 0.0060 975 VAL 66 CG2 0.0011 -0.0113 0.0023 976 VAL 66 H -0.0032 -0.0135 0.0010 977 VAL 66 HA -0.0038 -0.0134 0.0016 978 VAL 66 HB -0.0021 -0.0106 0.0053 979 VAL 66 HG11 0.0002 -0.0089 0.0070 980 VAL 66 HG12 -0.0014 -0.0106 0.0050 981 VAL 66 HG13 -0.0035 -0.0099 0.0075 982 VAL 66 HG21 0.0027 -0.0101 0.0034 983 VAL 66 HG22 0.0009 -0.0122 0.0009 984 VAL 66 HG23 0.0015 -0.0116 0.0014 985 GLY 67 N -0.0102 -0.0128 0.0060 986 GLY 67 CA -0.0113 -0.0134 0.0071 987 GLY 67 C -0.0104 -0.0124 0.0052 988 GLY 67 O -0.0095 -0.0129 0.0060 989 GLY 67 H -0.0116 -0.0127 0.0060 990 GLY 67 HA2 -0.0102 -0.0147 0.0089 991 GLY 67 HA3 -0.0137 -0.0134 0.0075 992 GLY 68 N -0.0066 -0.0142 0.0031 993 GLY 68 CA -0.0038 -0.0124 0.0043 994 GLY 68 C -0.0018 -0.0109 0.0052 995 GLY 68 O 0.0010 -0.0101 0.0064 996 GLY 68 H -0.0086 -0.0130 0.0023 997 GLY 68 HA2 -0.0024 -0.0143 0.0049 998 GLY 68 HA3 -0.0045 -0.0104 0.0041 999 ALA 69 N -0.0027 -0.0108 0.0069 1000 ALA 69 CA -0.0030 -0.0105 0.0071 1001 ALA 69 C -0.0023 -0.0116 0.0063 1002 ALA 69 O -0.0015 -0.0115 0.0065 1003 ALA 69 CB -0.0047 -0.0103 0.0071 1004 ALA 69 H -0.0036 -0.0111 0.0066 1005 ALA 69 HA -0.0025 -0.0098 0.0079 1006 ALA 69 HB1 -0.0049 -0.0102 0.0072 1007 ALA 69 HB2 -0.0053 -0.0111 0.0063 1008 ALA 69 HB3 -0.0052 -0.0096 0.0077 1009 VAL 70 N -0.0025 -0.0106 0.0038 1010 VAL 70 CA -0.0016 -0.0119 0.0029 1011 VAL 70 C -0.0001 -0.0112 0.0021 1012 VAL 70 O 0.0009 -0.0119 0.0012 1013 VAL 70 CB -0.0025 -0.0130 0.0031 1014 VAL 70 CG1 -0.0039 -0.0140 0.0037 1015 VAL 70 CG2 -0.0029 -0.0120 0.0037 1016 VAL 70 H -0.0034 -0.0105 0.0045 1017 VAL 70 HA -0.0015 -0.0127 0.0026 1018 VAL 70 HB -0.0018 -0.0139 0.0023 1019 VAL 70 HG11 -0.0036 -0.0150 0.0032 1020 VAL 70 HG12 -0.0046 -0.0146 0.0040 1021 VAL 70 HG13 -0.0044 -0.0132 0.0043 1022 VAL 70 HG21 -0.0035 -0.0111 0.0044 1023 VAL 70 HG22 -0.0035 -0.0127 0.0038 1024 VAL 70 HG23 -0.0019 -0.0113 0.0032 1025 VAL 71 N 0.0019 -0.0105 -0.0001 1026 VAL 71 CA 0.0055 -0.0102 -0.0002 1027 VAL 71 C 0.0060 -0.0090 0.0014 1028 VAL 71 O 0.0078 -0.0094 0.0005 1029 VAL 71 CB 0.0073 -0.0091 0.0011 1030 VAL 71 CG1 0.0109 -0.0085 0.0013 1031 VAL 71 CG2 0.0072 -0.0103 -0.0008 1032 VAL 71 H 0.0011 -0.0100 0.0009 1033 VAL 71 HA 0.0064 -0.0115 -0.0023 1034 VAL 71 HB 0.0062 -0.0079 0.0030 1035 VAL 71 HG11 0.0118 -0.0096 -0.0005 1036 VAL 71 HG12 0.0110 -0.0073 0.0030 1037 VAL 71 HG13 0.0123 -0.0080 0.0018 1038 VAL 71 HG21 0.0086 -0.0096 0.0001 1039 VAL 71 HG22 0.0047 -0.0108 -0.0010 1040 VAL 71 HG23 0.0083 -0.0116 -0.0028 1041 THR 72 N 0.0058 -0.0079 0.0033 1042 THR 72 CA 0.0054 -0.0074 0.0048 1043 THR 72 C 0.0035 -0.0082 0.0033 1044 THR 72 O 0.0040 -0.0082 0.0032 1045 THR 72 CB 0.0041 -0.0067 0.0076 1046 THR 72 OG1 0.0017 -0.0072 0.0074 1047 THR 72 CG2 0.0063 -0.0059 0.0093 1048 THR 72 H 0.0050 -0.0078 0.0040 1049 THR 72 HA 0.0075 -0.0071 0.0050 1050 THR 72 HB 0.0036 -0.0065 0.0087 1051 THR 72 HG1 0.0012 -0.0067 0.0091 1052 THR 72 HG21 0.0071 -0.0061 0.0081 1053 THR 72 HG22 0.0079 -0.0054 0.0098 1054 THR 72 HG23 0.0052 -0.0054 0.0111 1055 GLY 73 N 0.0034 -0.0069 0.0025 1056 GLY 73 CA 0.0022 -0.0068 0.0020 1057 GLY 73 C 0.0018 -0.0059 0.0010 1058 GLY 73 O 0.0007 -0.0061 0.0007 1059 GLY 73 H 0.0042 -0.0068 0.0027 1060 GLY 73 HA2 0.0014 -0.0074 0.0023 1061 GLY 73 HA3 0.0023 -0.0066 0.0018 1062 VAL 74 N -0.0008 -0.0045 -0.0024 1063 VAL 74 CA 0.0002 -0.0048 -0.0039 1064 VAL 74 C 0.0013 -0.0049 -0.0024 1065 VAL 74 O 0.0011 -0.0049 -0.0028 1066 VAL 74 CB 0.0020 -0.0052 -0.0055 1067 VAL 74 CG1 0.0032 -0.0055 -0.0068 1068 VAL 74 CG2 0.0009 -0.0051 -0.0073 1069 VAL 74 H -0.0004 -0.0046 -0.0027 1070 VAL 74 HA -0.0012 -0.0046 -0.0050 1071 VAL 74 HB 0.0033 -0.0053 -0.0045 1072 VAL 74 HG11 0.0020 -0.0053 -0.0075 1073 VAL 74 HG12 0.0044 -0.0056 -0.0056 1074 VAL 74 HG13 0.0042 -0.0058 -0.0083 1075 VAL 74 HG21 0.0022 -0.0054 -0.0082 1076 VAL 74 HG22 -0.0003 -0.0049 -0.0064 1077 VAL 74 HG23 -0.0001 -0.0051 -0.0086 1078 THR 75 N 0.0038 -0.0034 -0.0010 1079 THR 75 CA 0.0033 -0.0040 -0.0002 1080 THR 75 C 0.0015 -0.0042 0.0002 1081 THR 75 O 0.0006 -0.0041 0.0002 1082 THR 75 CB 0.0044 -0.0050 0.0010 1083 THR 75 OG1 0.0061 -0.0048 0.0006 1084 THR 75 CG2 0.0042 -0.0056 0.0016 1085 THR 75 H 0.0046 -0.0037 -0.0007 1086 THR 75 HA 0.0036 -0.0035 -0.0008 1087 THR 75 HB 0.0040 -0.0056 0.0016 1088 THR 75 HG1 0.0063 -0.0050 0.0008 1089 THR 75 HG21 0.0045 -0.0050 0.0009 1090 THR 75 HG22 0.0030 -0.0058 0.0020 1091 THR 75 HG23 0.0051 -0.0062 0.0024 1092 ALA 76 N 0.0021 -0.0028 0.0007 1093 ALA 76 CA 0.0010 -0.0030 0.0010 1094 ALA 76 C 0.0000 -0.0009 0.0015 1095 ALA 76 O -0.0017 -0.0009 0.0019 1096 ALA 76 CB 0.0026 -0.0034 0.0005 1097 ALA 76 H 0.0036 -0.0029 0.0003 1098 ALA 76 HA -0.0001 -0.0042 0.0011 1099 ALA 76 HB1 0.0017 -0.0037 0.0007 1100 ALA 76 HB2 0.0036 -0.0021 0.0004 1101 ALA 76 HB3 0.0034 -0.0048 0.0002 1102 VAL 77 N -0.0010 0.0024 0.0017 1103 VAL 77 CA -0.0018 0.0044 0.0023 1104 VAL 77 C -0.0034 0.0043 0.0031 1105 VAL 77 O -0.0047 0.0053 0.0038 1106 VAL 77 CB -0.0004 0.0059 0.0019 1107 VAL 77 CG1 -0.0011 0.0079 0.0026 1108 VAL 77 CG2 0.0013 0.0059 0.0011 1109 VAL 77 H 0.0002 0.0023 0.0011 1110 VAL 77 HA -0.0023 0.0047 0.0026 1111 VAL 77 HB -0.0000 0.0056 0.0017 1112 VAL 77 HG11 -0.0017 0.0081 0.0029 1113 VAL 77 HG12 -0.0022 0.0081 0.0030 1114 VAL 77 HG13 -0.0001 0.0091 0.0022 1115 VAL 77 HG21 0.0020 0.0046 0.0006 1116 VAL 77 HG22 0.0008 0.0058 0.0013 1117 VAL 77 HG23 0.0021 0.0072 0.0009 1118 ALA 78 N -0.0029 0.0044 0.0009 1119 ALA 78 CA -0.0050 0.0047 0.0014 1120 ALA 78 C -0.0069 0.0037 0.0014 1121 ALA 78 O -0.0084 0.0047 0.0021 1122 ALA 78 CB -0.0052 0.0037 0.0010 1123 ALA 78 H -0.0018 0.0036 0.0003 1124 ALA 78 HA -0.0052 0.0063 0.0022 1125 ALA 78 HB1 -0.0048 0.0021 0.0002 1126 ALA 78 HB2 -0.0040 0.0045 0.0011 1127 ALA 78 HB3 -0.0068 0.0038 0.0013 1128 GLN 79 N -0.0045 0.0051 -0.0002 1129 GLN 79 CA -0.0061 0.0041 -0.0007 1130 GLN 79 C -0.0042 0.0057 0.0004 1131 GLN 79 O -0.0055 0.0056 0.0008 1132 GLN 79 CB -0.0059 0.0016 -0.0037 1133 GLN 79 CG -0.0081 -0.0000 -0.0047 1134 GLN 79 CD -0.0077 -0.0025 -0.0078 1135 GLN 79 OE1 -0.0060 -0.0029 -0.0090 1136 GLN 79 NE2 -0.0092 -0.0042 -0.0090 1137 GLN 79 H -0.0032 0.0043 -0.0018 1138 GLN 79 HA -0.0086 0.0041 0.0005 1139 GLN 79 HB2 -0.0033 0.0017 -0.0049 1140 GLN 79 HB3 -0.0067 0.0010 -0.0041 1141 GLN 79 HG2 -0.0106 -0.0001 -0.0036 1142 GLN 79 HG3 -0.0073 0.0006 -0.0042 1143 GLN 79 HE21 -0.0105 -0.0038 -0.0080 1144 GLN 79 HE22 -0.0090 -0.0057 -0.0110 1145 LYS 80 N -0.0036 0.0063 0.0030 1146 LYS 80 CA -0.0037 0.0070 0.0032 1147 LYS 80 C -0.0040 0.0077 0.0036 1148 LYS 80 O -0.0043 0.0082 0.0039 1149 LYS 80 CB -0.0029 0.0073 0.0027 1150 LYS 80 CG -0.0030 0.0078 0.0029 1151 LYS 80 CD -0.0022 0.0081 0.0024 1152 LYS 80 CE -0.0023 0.0085 0.0026 1153 LYS 80 NZ -0.0026 0.0093 0.0030 1154 LYS 80 H -0.0032 0.0063 0.0027 1155 LYS 80 HA -0.0040 0.0067 0.0033 1156 LYS 80 HB2 -0.0026 0.0068 0.0024 1157 LYS 80 HB3 -0.0027 0.0078 0.0027 1158 LYS 80 HG2 -0.0033 0.0084 0.0032 1159 LYS 80 HG3 -0.0033 0.0074 0.0030 1160 LYS 80 HD2 -0.0019 0.0076 0.0021 1161 LYS 80 HD3 -0.0020 0.0086 0.0023 1162 LYS 80 HE2 -0.0026 0.0080 0.0027 1163 LYS 80 HE3 -0.0018 0.0086 0.0022 1164 LYS 80 HZ1 -0.0029 0.0093 0.0032 1165 LYS 80 HZ2 -0.0022 0.0098 0.0028 1166 LYS 80 HZ3 -0.0030 0.0093 0.0032 1167 THR 81 N -0.0044 0.0091 0.0029 1168 THR 81 CA -0.0046 0.0093 0.0044 1169 THR 81 C -0.0055 0.0098 0.0030 1170 THR 81 O -0.0048 0.0093 0.0029 1171 THR 81 CB -0.0059 0.0101 0.0064 1172 THR 81 OG1 -0.0053 0.0098 0.0074 1173 THR 81 CG2 -0.0058 0.0101 0.0081 1174 THR 81 H -0.0054 0.0097 0.0030 1175 THR 81 HA -0.0031 0.0085 0.0050 1176 THR 81 HB -0.0074 0.0110 0.0058 1177 THR 81 HG1 -0.0055 0.0100 0.0090 1178 THR 81 HG21 -0.0069 0.0109 0.0093 1179 THR 81 HG22 -0.0043 0.0094 0.0090 1180 THR 81 HG23 -0.0059 0.0102 0.0072 1181 VAL 82 N -0.0056 0.0100 0.0022 1182 VAL 82 CA -0.0069 0.0105 0.0008 1183 VAL 82 C -0.0043 0.0098 -0.0012 1184 VAL 82 O -0.0040 0.0097 -0.0011 1185 VAL 82 CB -0.0097 0.0114 -0.0014 1186 VAL 82 CG1 -0.0123 0.0121 0.0006 1187 VAL 82 CG2 -0.0086 0.0112 -0.0042 1188 VAL 82 H -0.0067 0.0104 0.0018 1189 VAL 82 HA -0.0076 0.0106 0.0028 1190 VAL 82 HB -0.0106 0.0118 -0.0024 1191 VAL 82 HG11 -0.0134 0.0124 0.0022 1192 VAL 82 HG12 -0.0140 0.0127 -0.0010 1193 VAL 82 HG13 -0.0112 0.0118 0.0021 1194 VAL 82 HG21 -0.0072 0.0109 -0.0059 1195 VAL 82 HG22 -0.0072 0.0108 -0.0032 1196 VAL 82 HG23 -0.0106 0.0119 -0.0054 1197 GLU 83 N -0.0013 0.0105 -0.0006 1198 GLU 83 CA -0.0001 0.0104 -0.0014 1199 GLU 83 C 0.0009 0.0095 -0.0007 1200 GLU 83 O 0.0017 0.0093 -0.0011 1201 GLU 83 CB 0.0001 0.0107 -0.0018 1202 GLU 83 CG -0.0007 0.0116 -0.0026 1203 GLU 83 CD -0.0006 0.0119 -0.0031 1204 GLU 83 OE1 0.0001 0.0113 -0.0027 1205 GLU 83 OE2 -0.0012 0.0126 -0.0037 1206 GLU 83 H -0.0018 0.0107 -0.0004 1207 GLU 83 HA 0.0000 0.0108 -0.0020 1208 GLU 83 HB2 -0.0001 0.0103 -0.0012 1209 GLU 83 HB3 0.0010 0.0105 -0.0023 1210 GLU 83 HG2 -0.0004 0.0120 -0.0033 1211 GLU 83 HG3 -0.0016 0.0118 -0.0022 1212 GLY 84 N 0.0012 0.0105 0.0002 1213 GLY 84 CA 0.0010 0.0094 -0.0004 1214 GLY 84 C 0.0020 0.0091 -0.0013 1215 GLY 84 O 0.0022 0.0084 -0.0019 1216 GLY 84 H 0.0007 0.0107 0.0007 1217 GLY 84 HA2 0.0008 0.0093 -0.0004 1218 GLY 84 HA3 0.0003 0.0089 -0.0004 1219 ALA 85 N 0.0032 0.0080 -0.0046 1220 ALA 85 CA 0.0061 0.0063 -0.0055 1221 ALA 85 C 0.0082 0.0073 -0.0048 1222 ALA 85 O 0.0098 0.0057 -0.0057 1223 ALA 85 CB 0.0078 0.0066 -0.0052 1224 ALA 85 H 0.0026 0.0090 -0.0040 1225 ALA 85 HA 0.0055 0.0043 -0.0068 1226 ALA 85 HB1 0.0062 0.0064 -0.0054 1227 ALA 85 HB2 0.0096 0.0051 -0.0061 1228 ALA 85 HB3 0.0088 0.0086 -0.0040 1229 GLY 86 N 0.0081 0.0087 -0.0021 1230 GLY 86 CA 0.0086 0.0098 0.0002 1231 GLY 86 C 0.0068 0.0101 -0.0009 1232 GLY 86 O 0.0079 0.0098 -0.0005 1233 GLY 86 H 0.0075 0.0093 -0.0017 1234 GLY 86 HA2 0.0111 0.0089 0.0009 1235 GLY 86 HA3 0.0079 0.0113 0.0022 1236 SER 87 N 0.0059 0.0110 -0.0021 1237 SER 87 CA 0.0037 0.0121 -0.0032 1238 SER 87 C 0.0049 0.0108 -0.0052 1239 SER 87 O 0.0043 0.0112 -0.0050 1240 SER 87 CB 0.0014 0.0131 -0.0052 1241 SER 87 OG -0.0007 0.0142 -0.0062 1242 SER 87 H 0.0056 0.0110 -0.0027 1243 SER 87 HA 0.0030 0.0130 -0.0013 1244 SER 87 HB2 0.0006 0.0140 -0.0038 1245 SER 87 HB3 0.0021 0.0121 -0.0072 1246 SER 87 HG -0.0022 0.0148 -0.0073 1247 ILE 88 N 0.0050 0.0117 -0.0076 1248 ILE 88 CA 0.0065 0.0100 -0.0099 1249 ILE 88 C 0.0088 0.0095 -0.0080 1250 ILE 88 O 0.0090 0.0091 -0.0088 1251 ILE 88 CB 0.0081 0.0082 -0.0121 1252 ILE 88 CG1 0.0058 0.0088 -0.0138 1253 ILE 88 CG2 0.0094 0.0065 -0.0147 1254 ILE 88 CD1 0.0076 0.0071 -0.0158 1255 ILE 88 H 0.0052 0.0116 -0.0076 1256 ILE 88 HA 0.0047 0.0104 -0.0115 1257 ILE 88 HB 0.0101 0.0078 -0.0105 1258 ILE 88 HG12 0.0040 0.0092 -0.0155 1259 ILE 88 HG13 0.0048 0.0101 -0.0120 1260 ILE 88 HG21 0.0110 0.0061 -0.0135 1261 ILE 88 HG22 0.0106 0.0053 -0.0162 1262 ILE 88 HG23 0.0075 0.0070 -0.0163 1263 ILE 88 HD11 0.0062 0.0077 -0.0163 1264 ILE 88 HD12 0.0079 0.0061 -0.0181 1265 ILE 88 HD13 0.0098 0.0065 -0.0143 1266 ALA 89 N 0.0094 0.0077 -0.0050 1267 ALA 89 CA 0.0098 0.0070 -0.0032 1268 ALA 89 C 0.0069 0.0083 -0.0023 1269 ALA 89 O 0.0066 0.0084 -0.0024 1270 ALA 89 CB 0.0110 0.0056 -0.0004 1271 ALA 89 H 0.0102 0.0071 -0.0044 1272 ALA 89 HA 0.0111 0.0066 -0.0045 1273 ALA 89 HB1 0.0111 0.0051 0.0010 1274 ALA 89 HB2 0.0098 0.0059 0.0009 1275 ALA 89 HB3 0.0131 0.0046 -0.0010 1276 ALA 90 N 0.0053 0.0075 -0.0032 1277 ALA 90 CA 0.0037 0.0075 -0.0033 1278 ALA 90 C 0.0033 0.0091 -0.0040 1279 ALA 90 O 0.0020 0.0096 -0.0043 1280 ALA 90 CB 0.0038 0.0064 -0.0029 1281 ALA 90 H 0.0062 0.0070 -0.0030 1282 ALA 90 HA 0.0027 0.0071 -0.0033 1283 ALA 90 HB1 0.0041 0.0053 -0.0025 1284 ALA 90 HB2 0.0027 0.0064 -0.0030 1285 ALA 90 HB3 0.0048 0.0068 -0.0030 1286 ALA 91 N 0.0066 0.0131 -0.0047 1287 ALA 91 CA 0.0066 0.0161 -0.0042 1288 ALA 91 C 0.0047 0.0163 -0.0028 1289 ALA 91 O 0.0035 0.0182 -0.0017 1290 ALA 91 CB 0.0090 0.0171 -0.0057 1291 ALA 91 H 0.0080 0.0121 -0.0059 1292 ALA 91 HA 0.0063 0.0173 -0.0037 1293 ALA 91 HB1 0.0103 0.0171 -0.0066 1294 ALA 91 HB2 0.0090 0.0192 -0.0053 1295 ALA 91 HB3 0.0094 0.0156 -0.0062 1296 THR 92 N 0.0054 0.0159 -0.0044 1297 THR 92 CA 0.0023 0.0167 -0.0026 1298 THR 92 C -0.0026 0.0145 0.0000 1299 THR 92 O -0.0061 0.0171 0.0020 1300 THR 92 CB 0.0042 0.0136 -0.0038 1301 THR 92 OG1 0.0090 0.0148 -0.0064 1302 THR 92 CG2 0.0016 0.0152 -0.0023 1303 THR 92 H 0.0077 0.0130 -0.0057 1304 THR 92 HA 0.0021 0.0209 -0.0025 1305 THR 92 HB 0.0037 0.0093 -0.0036 1306 THR 92 HG1 0.0105 0.0117 -0.0073 1307 THR 92 HG21 0.0027 0.0127 -0.0029 1308 THR 92 HG22 0.0024 0.0194 -0.0027 1309 THR 92 HG23 -0.0021 0.0147 -0.0002 1310 GLY 93 N -0.0020 0.0114 -0.0006 1311 GLY 93 CA -0.0067 0.0091 -0.0009 1312 GLY 93 C -0.0075 0.0088 -0.0009 1313 GLY 93 O -0.0060 0.0056 -0.0015 1314 GLY 93 H 0.0009 0.0095 -0.0010 1315 GLY 93 HA2 -0.0095 0.0111 -0.0005 1316 GLY 93 HA3 -0.0066 0.0055 -0.0015 1317 PHE 94 N -0.0128 0.0055 -0.0041 1318 PHE 94 CA -0.0104 0.0039 -0.0048 1319 PHE 94 C -0.0154 -0.0053 -0.0111 1320 PHE 94 O -0.0241 -0.0078 -0.0138 1321 PHE 94 CB -0.0155 0.0125 -0.0001 1322 PHE 94 CG -0.0111 0.0216 0.0061 1323 PHE 94 CD1 -0.0166 0.0265 0.0085 1324 PHE 94 CD2 -0.0015 0.0252 0.0096 1325 PHE 94 CE1 -0.0126 0.0350 0.0143 1326 PHE 94 CE2 0.0026 0.0337 0.0154 1327 PHE 94 CZ -0.0029 0.0386 0.0177 1328 PHE 94 H -0.0172 0.0114 -0.0010 1329 PHE 94 HA -0.0014 0.0033 -0.0040 1330 PHE 94 HB2 -0.0245 0.0128 -0.0011 1331 PHE 94 HB3 -0.0132 0.0116 -0.0003 1332 PHE 94 HD1 -0.0240 0.0238 0.0058 1333 PHE 94 HD2 0.0028 0.0215 0.0078 1334 PHE 94 HE1 -0.0168 0.0388 0.0161 1335 PHE 94 HE2 0.0100 0.0365 0.0181 1336 PHE 94 HZ 0.0002 0.0451 0.0222 1337 VAL 95 N -0.0170 -0.0043 -0.0075 1338 VAL 95 CA -0.0172 -0.0048 -0.0082 1339 VAL 95 C -0.0180 -0.0046 -0.0084 1340 VAL 95 O -0.0179 -0.0045 -0.0082 1341 VAL 95 CB -0.0164 -0.0052 -0.0084 1342 VAL 95 CG1 -0.0158 -0.0055 -0.0086 1343 VAL 95 CG2 -0.0160 -0.0048 -0.0078 1344 VAL 95 H -0.0165 -0.0042 -0.0072 1345 VAL 95 HA -0.0174 -0.0050 -0.0086 1346 VAL 95 HB -0.0166 -0.0054 -0.0089 1347 VAL 95 HG11 -0.0160 -0.0058 -0.0091 1348 VAL 95 HG12 -0.0152 -0.0057 -0.0086 1349 VAL 95 HG13 -0.0156 -0.0052 -0.0081 1350 VAL 95 HG21 -0.0155 -0.0051 -0.0079 1351 VAL 95 HG22 -0.0165 -0.0045 -0.0076 1352 VAL 95 HG23 -0.0157 -0.0046 -0.0073 1353 LYS 96 N -0.0249 -0.0084 -0.0020 1354 LYS 96 CA -0.0144 -0.0091 -0.0041 1355 LYS 96 C -0.0198 -0.0080 -0.0016 1356 LYS 96 O -0.0299 -0.0055 0.0040 1357 LYS 96 CB -0.0027 -0.0045 0.0038 1358 LYS 96 CG 0.0099 -0.0066 -0.0012 1359 LYS 96 CD 0.0216 -0.0022 0.0063 1360 LYS 96 CE 0.0340 -0.0041 0.0017 1361 LYS 96 NZ 0.0374 -0.0103 -0.0102 1362 LYS 96 H -0.0230 -0.0060 0.0025 1363 LYS 96 HA -0.0111 -0.0138 -0.0131 1364 LYS 96 HB2 -0.0013 -0.0041 0.0045 1365 LYS 96 HB3 -0.0048 -0.0000 0.0124 1366 LYS 96 HG2 0.0088 -0.0067 -0.0012 1367 LYS 96 HG3 0.0116 -0.0112 -0.0100 1368 LYS 96 HD2 0.0229 -0.0023 0.0060 1369 LYS 96 HD3 0.0197 0.0024 0.0153 1370 LYS 96 HE2 0.0421 -0.0008 0.0074 1371 LYS 96 HE3 0.0324 -0.0044 0.0014 1372 LYS 96 HZ1 0.0464 -0.0099 -0.0101 1373 LYS 96 HZ2 0.0300 -0.0120 -0.0129 1374 LYS 96 HZ3 0.0380 -0.0133 -0.0159 1375 LYS 97 N -0.0017 -0.0134 -0.0048 1376 LYS 97 CA 0.0040 -0.0133 -0.0062 1377 LYS 97 C 0.0000 -0.0134 -0.0058 1378 LYS 97 O -0.0017 -0.0130 0.0003 1379 LYS 97 CB 0.0103 -0.0127 -0.0001 1380 LYS 97 CG 0.0068 -0.0122 0.0076 1381 LYS 97 CD 0.0124 -0.0116 0.0140 1382 LYS 97 CE 0.0198 -0.0115 0.0130 1383 LYS 97 NZ 0.0253 -0.0116 0.0082 1384 LYS 97 H -0.0064 -0.0133 -0.0018 1385 LYS 97 HA 0.0065 -0.0137 -0.0118 1386 LYS 97 HB2 0.0131 -0.0126 0.0004 1387 LYS 97 HB3 0.0145 -0.0127 -0.0018 1388 LYS 97 HG2 0.0055 -0.0123 0.0076 1389 LYS 97 HG3 0.0015 -0.0123 0.0085 1390 LYS 97 HD2 0.0098 -0.0113 0.0195 1391 LYS 97 HD3 0.0137 -0.0116 0.0139 1392 LYS 97 HE2 0.0186 -0.0117 0.0102 1393 LYS 97 HE3 0.0224 -0.0110 0.0185 1394 LYS 97 HZ1 0.0225 -0.0121 0.0033 1395 LYS 97 HZ2 0.0273 -0.0114 0.0113 1396 LYS 97 HZ3 0.0299 -0.0116 0.0066 1397 ASP 98 N -0.0020 -0.0192 -0.0070 1398 ASP 98 CA -0.0091 -0.0195 -0.0069 1399 ASP 98 C -0.0083 -0.0197 -0.0073 1400 ASP 98 O -0.0058 -0.0231 -0.0113 1401 ASP 98 CB -0.0133 -0.0238 -0.0118 1402 ASP 98 CG -0.0211 -0.0235 -0.0110 1403 ASP 98 OD1 -0.0225 -0.0220 -0.0091 1404 ASP 98 OD2 -0.0256 -0.0249 -0.0124 1405 ASP 98 H 0.0005 -0.0221 -0.0105 1406 ASP 98 HA -0.0121 -0.0165 -0.0032 1407 ASP 98 HB2 -0.0129 -0.0240 -0.0121 1408 ASP 98 HB3 -0.0111 -0.0269 -0.0154 1409 GLN 99 N -0.0055 -0.0204 -0.0008 1410 GLN 99 CA -0.0038 -0.0203 -0.0008 1411 GLN 99 C -0.0069 -0.0164 0.0054 1412 GLN 99 O -0.0089 -0.0164 0.0056 1413 GLN 99 CB 0.0049 -0.0201 -0.0013 1414 GLN 99 CG 0.0088 -0.0170 0.0030 1415 GLN 99 CD 0.0170 -0.0158 0.0040 1416 GLN 99 OE1 0.0186 -0.0126 0.0088 1417 GLN 99 NE2 0.0223 -0.0183 -0.0002 1418 GLN 99 H -0.0080 -0.0181 0.0029 1419 GLN 99 HA -0.0064 -0.0231 -0.0048 1420 GLN 99 HB2 0.0063 -0.0191 0.0001 1421 GLN 99 HB3 0.0069 -0.0232 -0.0062 1422 GLN 99 HG2 0.0088 -0.0185 0.0008 1423 GLN 99 HG3 0.0057 -0.0142 0.0075 1424 GLN 99 HE21 0.0210 -0.0209 -0.0041 1425 GLN 99 HE22 0.0275 -0.0176 0.0004 1426 LEU 100 N -0.0057 -0.0129 0.0159 1427 LEU 100 CA -0.0084 -0.0086 0.0168 1428 LEU 100 C -0.0103 -0.0069 0.0171 1429 LEU 100 O -0.0086 -0.0081 0.0169 1430 LEU 100 CB -0.0052 -0.0051 0.0180 1431 LEU 100 CG -0.0036 -0.0064 0.0178 1432 LEU 100 CD1 0.0004 -0.0034 0.0190 1433 LEU 100 CD2 -0.0076 -0.0059 0.0176 1434 LEU 100 H -0.0028 -0.0129 0.0161 1435 LEU 100 HA -0.0112 -0.0092 0.0164 1436 LEU 100 HB2 -0.0022 -0.0048 0.0184 1437 LEU 100 HB3 -0.0070 -0.0019 0.0187 1438 LEU 100 HG -0.0023 -0.0099 0.0170 1439 LEU 100 HD11 -0.0006 -0.0000 0.0198 1440 LEU 100 HD12 0.0035 -0.0044 0.0190 1441 LEU 100 HD13 0.0010 -0.0039 0.0189 1442 LEU 100 HD21 -0.0096 -0.0030 0.0182 1443 LEU 100 HD22 -0.0062 -0.0056 0.0178 1444 LEU 100 HD23 -0.0097 -0.0088 0.0166 1445 GLY 101 N -0.0097 0.0060 0.0117 1446 GLY 101 CA -0.0061 0.0101 0.0098 1447 GLY 101 C -0.0060 0.0103 0.0053 1448 GLY 101 O -0.0032 0.0134 0.0033 1449 GLY 101 H -0.0117 0.0039 0.0092 1450 GLY 101 HA2 -0.0043 0.0120 0.0130 1451 GLY 101 HA3 -0.0052 0.0111 0.0083 1452 LYS 102 N -0.0029 0.0139 0.0108 1453 LYS 102 CA -0.0028 0.0096 0.0034 1454 LYS 102 C 0.0052 0.0059 0.0046 1455 LYS 102 O 0.0112 0.0017 0.0029 1456 LYS 102 CB -0.0036 0.0060 -0.0038 1457 LYS 102 CG -0.0060 0.0029 -0.0117 1458 LYS 102 CD -0.0076 -0.0003 -0.0188 1459 LYS 102 CE -0.0105 -0.0031 -0.0266 1460 LYS 102 NZ -0.0042 -0.0071 -0.0275 1461 LYS 102 H -0.0076 0.0178 0.0131 1462 LYS 102 HA -0.0078 0.0117 0.0022 1463 LYS 102 HB2 -0.0082 0.0086 -0.0036 1464 LYS 102 HB3 0.0022 0.0031 -0.0034 1465 LYS 102 HG2 -0.0011 -0.0000 -0.0121 1466 LYS 102 HG3 -0.0114 0.0058 -0.0118 1467 LYS 102 HD2 -0.0121 0.0026 -0.0181 1468 LYS 102 HD3 -0.0020 -0.0034 -0.0189 1469 LYS 102 HE2 -0.0160 0.0000 -0.0265 1470 LYS 102 HE3 -0.0116 -0.0053 -0.0317 1471 LYS 102 HZ1 -0.0042 -0.0049 -0.0237 1472 LYS 102 HZ2 0.0015 -0.0093 -0.0261 1473 LYS 102 HZ3 -0.0054 -0.0097 -0.0334 1474 ASN 103 N 0.0074 0.0031 -0.0024 1475 ASN 103 CA 0.0089 0.0034 -0.0037 1476 ASN 103 C 0.0156 -0.0017 -0.0027 1477 ASN 103 O 0.0210 -0.0012 -0.0069 1478 ASN 103 CB 0.0098 0.0089 -0.0103 1479 ASN 103 CG 0.0030 0.0141 -0.0113 1480 ASN 103 OD1 -0.0026 0.0145 -0.0080 1481 ASN 103 ND2 0.0031 0.0180 -0.0158 1482 ASN 103 H 0.0113 0.0016 -0.0034 1483 ASN 103 HA 0.0046 0.0034 -0.0007 1484 ASN 103 HB2 0.0139 0.0090 -0.0133 1485 ASN 103 HB3 0.0111 0.0091 -0.0114 1486 ASN 103 HD21 0.0075 0.0177 -0.0185 1487 ASN 103 HD22 -0.0012 0.0214 -0.0165 1488 GLU 104 N 0.0195 -0.0030 0.0064 1489 GLU 104 CA 0.0283 -0.0060 0.0119 1490 GLU 104 C 0.0231 -0.0044 0.0107 1491 GLU 104 O 0.0296 -0.0061 0.0074 1492 GLU 104 CB 0.0306 -0.0076 0.0259 1493 GLU 104 CG 0.0191 -0.0047 0.0342 1494 GLU 104 CD 0.0084 -0.0011 0.0291 1495 GLU 104 OE1 0.0101 -0.0015 0.0267 1496 GLU 104 OE2 -0.0014 0.0019 0.0277 1497 GLU 104 H 0.0155 -0.0022 0.0119 1498 GLU 104 HA 0.0368 -0.0082 0.0066 1499 GLU 104 HB2 0.0379 -0.0100 0.0293 1500 GLU 104 HB3 0.0331 -0.0084 0.0266 1501 GLU 104 HG2 0.0169 -0.0040 0.0341 1502 GLU 104 HG3 0.0208 -0.0058 0.0439 1503 GLU 105 N 0.0046 0.0043 0.0112 1504 GLU 105 CA 0.0011 0.0062 0.0092 1505 GLU 105 C 0.0105 0.0101 0.0062 1506 GLU 105 O 0.0148 0.0161 0.0008 1507 GLU 105 CB -0.0084 0.0117 0.0034 1508 GLU 105 CG -0.0187 0.0075 0.0066 1509 GLU 105 CD -0.0282 0.0123 0.0015 1510 GLU 105 OE1 -0.0292 0.0142 -0.0004 1511 GLU 105 OE2 -0.0343 0.0139 -0.0004 1512 GLU 105 H 0.0122 0.0047 0.0114 1513 GLU 105 HA -0.0013 0.0009 0.0141 1514 GLU 105 HB2 -0.0095 0.0137 0.0014 1515 GLU 105 HB3 -0.0067 0.0167 -0.0012 1516 GLU 105 HG2 -0.0183 0.0068 0.0073 1517 GLU 105 HG3 -0.0196 0.0019 0.0119 1518 GLY 106 N 0.0087 0.0095 0.0089 1519 GLY 106 CA 0.0141 0.0128 0.0075 1520 GLY 106 C 0.0141 0.0148 0.0013 1521 GLY 106 O 0.0177 0.0171 -0.0001 1522 GLY 106 H 0.0077 0.0083 0.0110 1523 GLY 106 HA2 0.0154 0.0133 0.0082 1524 GLY 106 HA3 0.0166 0.0134 0.0102 1525 ALA 107 N 0.0137 0.0133 -0.0096 1526 ALA 107 CA 0.0125 0.0162 -0.0162 1527 ALA 107 C 0.0138 0.0124 -0.0074 1528 ALA 107 O 0.0215 0.0106 -0.0100 1529 ALA 107 CB 0.0228 0.0166 -0.0271 1530 ALA 107 H 0.0073 0.0157 -0.0097 1531 ALA 107 HA 0.0036 0.0208 -0.0195 1532 ALA 107 HB1 0.0209 0.0199 -0.0342 1533 ALA 107 HB2 0.0230 0.0179 -0.0309 1534 ALA 107 HB3 0.0316 0.0122 -0.0241 1535 PRO 108 N 0.0068 0.0141 -0.0053 1536 PRO 108 CA 0.0080 0.0131 -0.0013 1537 PRO 108 C 0.0051 0.0143 -0.0052 1538 PRO 108 O 0.0005 0.0143 -0.0025 1539 PRO 108 CB 0.0039 0.0121 0.0055 1540 PRO 108 CG -0.0022 0.0133 0.0035 1541 PRO 108 CD 0.0007 0.0142 -0.0024 1542 PRO 108 HA 0.0136 0.0122 -0.0003 1543 PRO 108 HB2 0.0020 0.0118 0.0078 1544 PRO 108 HB3 0.0071 0.0109 0.0092 1545 PRO 108 HG2 -0.0065 0.0142 0.0017 1546 PRO 108 HG3 -0.0040 0.0126 0.0079 1547 PRO 108 HD2 -0.0033 0.0156 -0.0063 1548 PRO 108 HD3 0.0023 0.0136 -0.0003 1549 GLN 109 N 0.0069 0.0105 -0.0123 1550 GLN 109 CA 0.0088 0.0099 -0.0081 1551 GLN 109 C 0.0093 0.0098 -0.0071 1552 GLN 109 O 0.0111 0.0120 -0.0082 1553 GLN 109 CB 0.0070 0.0070 -0.0057 1554 GLN 109 CG 0.0069 0.0073 -0.0064 1555 GLN 109 CD 0.0051 0.0043 -0.0039 1556 GLN 109 OE1 0.0057 0.0031 -0.0005 1557 GLN 109 NE2 0.0028 0.0031 -0.0055 1558 GLN 109 H 0.0049 0.0091 -0.0130 1559 GLN 109 HA 0.0112 0.0117 -0.0076 1560 GLN 109 HB2 0.0045 0.0052 -0.0065 1561 GLN 109 HB3 0.0082 0.0065 -0.0027 1562 GLN 109 HG2 0.0093 0.0090 -0.0056 1563 GLN 109 HG3 0.0056 0.0078 -0.0093 1564 GLN 109 HE21 0.0022 0.0041 -0.0082 1565 GLN 109 HE22 0.0016 0.0013 -0.0040 1566 GLU 110 N 0.0020 0.0080 -0.0018 1567 GLU 110 CA 0.0042 0.0080 0.0008 1568 GLU 110 C 0.0013 0.0015 0.0037 1569 GLU 110 O 0.0014 0.0005 0.0049 1570 GLU 110 CB 0.0103 0.0106 0.0055 1571 GLU 110 CG 0.0127 0.0113 0.0076 1572 GLU 110 CD 0.0188 0.0143 0.0120 1573 GLU 110 OE1 0.0205 0.0123 0.0160 1574 GLU 110 OE2 0.0217 0.0185 0.0113 1575 GLU 110 H -0.0004 0.0042 -0.0010 1576 GLU 110 HA 0.0035 0.0106 -0.0027 1577 GLU 110 HB2 0.0122 0.0149 0.0035 1578 GLU 110 HB3 0.0109 0.0076 0.0092 1579 GLU 110 HG2 0.0109 0.0070 0.0098 1580 GLU 110 HG3 0.0118 0.0141 0.0038 1581 GLY 111 N -0.0004 -0.0061 0.0021 1582 GLY 111 CA -0.0042 -0.0091 0.0046 1583 GLY 111 C -0.0052 -0.0099 0.0057 1584 GLY 111 O -0.0031 -0.0082 0.0043 1585 GLY 111 H 0.0013 -0.0048 0.0019 1586 GLY 111 HA2 -0.0066 -0.0107 0.0023 1587 GLY 111 HA3 -0.0040 -0.0091 0.0081 1588 ILE 112 N -0.0079 -0.0119 0.0060 1589 ILE 112 CA -0.0066 -0.0094 0.0088 1590 ILE 112 C -0.0049 -0.0059 0.0126 1591 ILE 112 O -0.0015 -0.0039 0.0142 1592 ILE 112 CB -0.0112 -0.0094 0.0099 1593 ILE 112 CG1 -0.0162 -0.0098 0.0106 1594 ILE 112 CG2 -0.0116 -0.0122 0.0065 1595 ILE 112 CD1 -0.0186 -0.0135 0.0067 1596 ILE 112 H -0.0115 -0.0127 0.0059 1597 ILE 112 HA -0.0035 -0.0100 0.0073 1598 ILE 112 HB -0.0107 -0.0071 0.0126 1599 ILE 112 HG12 -0.0153 -0.0086 0.0118 1600 ILE 112 HG13 -0.0189 -0.0086 0.0127 1601 ILE 112 HG21 -0.0087 -0.0116 0.0066 1602 ILE 112 HG22 -0.0153 -0.0126 0.0069 1603 ILE 112 HG23 -0.0110 -0.0145 0.0036 1604 ILE 112 HD11 -0.0157 -0.0150 0.0042 1605 ILE 112 HD12 -0.0211 -0.0143 0.0063 1606 ILE 112 HD13 -0.0207 -0.0137 0.0069 1607 LEU 113 N -0.0072 -0.0038 0.0115 1608 LEU 113 CA -0.0042 -0.0035 0.0160 1609 LEU 113 C 0.0054 -0.0116 0.0169 1610 LEU 113 O 0.0085 -0.0180 0.0116 1611 LEU 113 CB -0.0102 -0.0024 0.0094 1612 LEU 113 CG -0.0199 0.0055 0.0080 1613 LEU 113 CD1 -0.0257 0.0062 0.0012 1614 LEU 113 CD2 -0.0209 0.0132 0.0183 1615 LEU 113 H -0.0118 -0.0041 0.0047 1616 LEU 113 HA -0.0045 0.0017 0.0233 1617 LEU 113 HB2 -0.0096 -0.0078 0.0021 1618 LEU 113 HB3 -0.0081 -0.0020 0.0129 1619 LEU 113 HG -0.0220 0.0051 0.0046 1620 LEU 113 HD11 -0.0324 0.0122 0.0011 1621 LEU 113 HD12 -0.0229 0.0055 0.0039 1622 LEU 113 HD13 -0.0259 0.0013 -0.0063 1623 LEU 113 HD21 -0.0277 0.0187 0.0172 1624 LEU 113 HD22 -0.0192 0.0141 0.0219 1625 LEU 113 HD23 -0.0165 0.0124 0.0229 1626 GLU 114 N 0.0091 -0.0090 0.0193 1627 GLU 114 CA 0.0125 -0.0166 0.0211 1628 GLU 114 C 0.0100 -0.0235 0.0149 1629 GLU 114 O 0.0122 -0.0304 0.0153 1630 GLU 114 CB 0.0133 -0.0150 0.0228 1631 GLU 114 CG 0.0165 -0.0090 0.0295 1632 GLU 114 CD 0.0171 -0.0072 0.0311 1633 GLU 114 OE1 0.0194 -0.0128 0.0321 1634 GLU 114 OE2 0.0153 -0.0002 0.0314 1635 GLU 114 H 0.0080 -0.0040 0.0198 1636 GLU 114 HA 0.0162 -0.0183 0.0255 1637 GLU 114 HB2 0.0096 -0.0125 0.0187 1638 GLU 114 HB3 0.0153 -0.0207 0.0234 1639 GLU 114 HG2 0.0202 -0.0116 0.0336 1640 GLU 114 HG3 0.0145 -0.0034 0.0289 1641 ASP 115 N 0.0070 -0.0176 0.0069 1642 ASP 115 CA 0.0098 -0.0171 0.0037 1643 ASP 115 C 0.0110 -0.0242 0.0005 1644 ASP 115 O 0.0113 -0.0261 -0.0003 1645 ASP 115 CB 0.0071 -0.0148 0.0075 1646 ASP 115 CG 0.0103 -0.0125 0.0041 1647 ASP 115 OD1 0.0136 -0.0079 0.0011 1648 ASP 115 OD2 0.0095 -0.0153 0.0044 1649 ASP 115 H 0.0081 -0.0148 0.0063 1650 ASP 115 HA 0.0128 -0.0134 0.0008 1651 ASP 115 HB2 0.0055 -0.0105 0.0104 1652 ASP 115 HB3 0.0045 -0.0191 0.0096 1653 MET 116 N 0.0076 -0.0226 -0.0052 1654 MET 116 CA -0.0005 -0.0326 -0.0165 1655 MET 116 C 0.0122 -0.0355 -0.0317 1656 MET 116 O 0.0082 -0.0445 -0.0444 1657 MET 116 CB -0.0144 -0.0412 -0.0207 1658 MET 116 CG -0.0264 -0.0505 -0.0275 1659 MET 116 SD -0.0371 -0.0622 -0.0397 1660 MET 116 CE -0.0487 -0.0586 -0.0241 1661 MET 116 H 0.0147 -0.0215 -0.0090 1662 MET 116 HA -0.0056 -0.0319 -0.0112 1663 MET 116 HB2 -0.0210 -0.0382 -0.0102 1664 MET 116 HB3 -0.0092 -0.0437 -0.0293 1665 MET 116 HG2 -0.0197 -0.0514 -0.0346 1666 MET 116 HG3 -0.0353 -0.0491 -0.0180 1667 MET 116 HE1 -0.0403 -0.0524 -0.0198 1668 MET 116 HE2 -0.0548 -0.0560 -0.0146 1669 MET 116 HE3 -0.0577 -0.0652 -0.0286 1670 PRO 117 N 0.0125 -0.0356 -0.0260 1671 PRO 117 CA 0.0208 -0.0388 -0.0314 1672 PRO 117 C 0.0202 -0.0398 -0.0326 1673 PRO 117 O 0.0253 -0.0431 -0.0377 1674 PRO 117 CB 0.0299 -0.0345 -0.0270 1675 PRO 117 CG 0.0264 -0.0286 -0.0186 1676 PRO 117 CD 0.0159 -0.0295 -0.0183 1677 PRO 117 HA 0.0209 -0.0429 -0.0369 1678 PRO 117 HB2 0.0356 -0.0348 -0.0282 1679 PRO 117 HB3 0.0324 -0.0355 -0.0287 1680 PRO 117 HG2 0.0265 -0.0269 -0.0163 1681 PRO 117 HG3 0.0308 -0.0256 -0.0153 1682 PRO 117 HD2 0.0116 -0.0264 -0.0136 1683 PRO 117 HD3 0.0159 -0.0291 -0.0178 1684 VAL 118 N -0.0026 -0.0310 -0.0280 1685 VAL 118 CA -0.0039 -0.0267 -0.0232 1686 VAL 118 C -0.0044 -0.0237 -0.0233 1687 VAL 118 O -0.0041 -0.0218 -0.0278 1688 VAL 118 CB -0.0045 -0.0222 -0.0241 1689 VAL 118 CG1 -0.0044 -0.0186 -0.0296 1690 VAL 118 CG2 -0.0058 -0.0182 -0.0188 1691 VAL 118 H -0.0023 -0.0308 -0.0308 1692 VAL 118 HA -0.0040 -0.0290 -0.0191 1693 VAL 118 HB -0.0041 -0.0244 -0.0245 1694 VAL 118 HG11 -0.0035 -0.0215 -0.0331 1695 VAL 118 HG12 -0.0046 -0.0162 -0.0309 1696 VAL 118 HG13 -0.0050 -0.0156 -0.0288 1697 VAL 118 HG21 -0.0062 -0.0155 -0.0189 1698 VAL 118 HG22 -0.0062 -0.0155 -0.0191 1699 VAL 118 HG23 -0.0059 -0.0208 -0.0149 1700 ASP 119 N -0.0177 -0.0104 -0.0101 1701 ASP 119 CA -0.0164 -0.0056 -0.0036 1702 ASP 119 C -0.0116 0.0008 -0.0022 1703 ASP 119 O -0.0119 0.0009 -0.0011 1704 ASP 119 CB -0.0215 -0.0080 0.0037 1705 ASP 119 CG -0.0265 -0.0148 0.0020 1706 ASP 119 OD1 -0.0262 -0.0156 -0.0005 1707 ASP 119 OD2 -0.0306 -0.0190 0.0031 1708 ASP 119 H -0.0202 -0.0127 -0.0090 1709 ASP 119 HA -0.0152 -0.0050 -0.0051 1710 ASP 119 HB2 -0.0223 -0.0080 0.0056 1711 ASP 119 HB3 -0.0207 -0.0049 0.0081 1712 PRO 120 N -0.0048 0.0045 -0.0023 1713 PRO 120 CA 0.0027 0.0163 0.0002 1714 PRO 120 C 0.0049 0.0184 0.0145 1715 PRO 120 O 0.0107 0.0273 0.0184 1716 PRO 120 CB 0.0055 0.0214 -0.0060 1717 PRO 120 CG 0.0001 0.0126 -0.0054 1718 PRO 120 CD -0.0067 0.0019 -0.0063 1719 PRO 120 HA 0.0044 0.0195 -0.0045 1720 PRO 120 HB2 0.0101 0.0284 -0.0007 1721 PRO 120 HB3 0.0063 0.0238 -0.0158 1722 PRO 120 HG2 0.0008 0.0128 0.0036 1723 PRO 120 HG3 0.0001 0.0136 -0.0132 1724 PRO 120 HD2 -0.0101 -0.0043 0.0000 1725 PRO 120 HD3 -0.0089 -0.0008 -0.0161 1726 ASP 121 N 0.0072 0.0105 0.0275 1727 ASP 121 CA 0.0109 0.0114 0.0430 1728 ASP 121 C 0.0144 0.0137 0.0395 1729 ASP 121 O 0.0237 0.0184 0.0473 1730 ASP 121 CB -0.0018 0.0032 0.0542 1731 ASP 121 CG -0.0151 -0.0037 0.0452 1732 ASP 121 OD1 -0.0144 -0.0021 0.0308 1733 ASP 121 OD2 -0.0258 -0.0105 0.0529 1734 ASP 121 H -0.0023 0.0052 0.0255 1735 ASP 121 HA 0.0200 0.0161 0.0491 1736 ASP 121 HB2 0.0005 0.0037 0.0651 1737 ASP 121 HB3 -0.0037 0.0019 0.0575 1738 ASN 122 N -0.0068 0.0017 0.0159 1739 ASN 122 CA -0.0056 0.0024 0.0133 1740 ASN 122 C -0.0079 0.0029 0.0095 1741 ASN 122 O -0.0087 0.0032 0.0076 1742 ASN 122 CB -0.0064 0.0019 0.0153 1743 ASN 122 CG -0.0107 0.0013 0.0165 1744 ASN 122 OD1 -0.0120 0.0008 0.0182 1745 ASN 122 ND2 -0.0130 0.0013 0.0157 1746 ASN 122 H -0.0091 0.0017 0.0152 1747 ASN 122 HA -0.0025 0.0027 0.0127 1748 ASN 122 HB2 -0.0059 0.0024 0.0132 1749 ASN 122 HB3 -0.0045 0.0016 0.0178 1750 ASN 122 HD21 -0.0120 0.0016 0.0143 1751 ASN 122 HD22 -0.0158 0.0009 0.0164 1752 GLU 123 N -0.0091 0.0014 0.0104 1753 GLU 123 CA -0.0097 0.0006 0.0087 1754 GLU 123 C -0.0108 -0.0018 0.0093 1755 GLU 123 O -0.0117 -0.0031 0.0078 1756 GLU 123 CB -0.0091 0.0018 0.0089 1757 GLU 123 CG -0.0094 0.0017 0.0066 1758 GLU 123 CD -0.0106 -0.0006 0.0062 1759 GLU 123 OE1 -0.0109 -0.0017 0.0079 1760 GLU 123 OE2 -0.0112 -0.0013 0.0043 1761 GLU 123 H -0.0089 0.0019 0.0098 1762 GLU 123 HA -0.0098 0.0008 0.0069 1763 GLU 123 HB2 -0.0082 0.0034 0.0092 1764 GLU 123 HB3 -0.0092 0.0011 0.0103 1765 GLU 123 HG2 -0.0093 0.0023 0.0051 1766 GLU 123 HG3 -0.0089 0.0026 0.0067 1767 ALA 124 N -0.0182 0.0025 0.0074 1768 ALA 124 CA -0.0160 0.0035 0.0069 1769 ALA 124 C -0.0141 0.0022 0.0048 1770 ALA 124 O -0.0148 0.0003 0.0035 1771 ALA 124 CB -0.0148 0.0059 0.0083 1772 ALA 124 H -0.0182 0.0016 0.0066 1773 ALA 124 HA -0.0164 0.0033 0.0071 1774 ALA 124 HB1 -0.0132 0.0066 0.0080 1775 ALA 124 HB2 -0.0143 0.0060 0.0081 1776 ALA 124 HB3 -0.0161 0.0067 0.0098 1777 TYR 125 N -0.0034 0.0143 -0.0041 1778 TYR 125 CA 0.0005 0.0125 -0.0137 1779 TYR 125 C -0.0254 0.0201 -0.0143 1780 TYR 125 O -0.0365 0.0222 -0.0352 1781 TYR 125 CB 0.0191 0.0082 0.0053 1782 TYR 125 CG 0.0449 0.0005 0.0051 1783 TYR 125 CD1 0.0494 0.0002 0.0212 1784 TYR 125 CD2 0.0644 -0.0062 -0.0112 1785 TYR 125 CE1 0.0734 -0.0069 0.0210 1786 TYR 125 CE2 0.0885 -0.0133 -0.0113 1787 TYR 125 CZ 0.0929 -0.0137 0.0048 1788 TYR 125 OH 0.1166 -0.0206 0.0046 1789 TYR 125 H 0.0069 0.0121 0.0110 1790 TYR 125 HA 0.0082 0.0090 -0.0336 1791 TYR 125 HB2 0.0115 0.0116 0.0253 1792 TYR 125 HB3 0.0211 0.0072 -0.0011 1793 TYR 125 HD1 0.0344 0.0054 0.0337 1794 TYR 125 HD2 0.0609 -0.0059 -0.0236 1795 TYR 125 HE1 0.0769 -0.0072 0.0335 1796 TYR 125 HE2 0.1035 -0.0185 -0.0238 1797 TYR 125 HH 0.1183 -0.0202 0.0206 1798 GLU 126 N -0.0116 0.0109 0.0034 1799 GLU 126 CA -0.0120 0.0106 0.0032 1800 GLU 126 C -0.0112 0.0060 0.0017 1801 GLU 126 O -0.0142 0.0038 0.0004 1802 GLU 126 CB -0.0165 0.0121 0.0029 1803 GLU 126 CG -0.0171 0.0168 0.0045 1804 GLU 126 CD -0.0216 0.0182 0.0042 1805 GLU 126 OE1 -0.0239 0.0157 0.0029 1806 GLU 126 OE2 -0.0227 0.0219 0.0053 1807 GLU 126 H -0.0122 0.0085 0.0024 1808 GLU 126 HA -0.0096 0.0124 0.0042 1809 GLU 126 HB2 -0.0189 0.0106 0.0020 1810 GLU 126 HB3 -0.0169 0.0114 0.0026 1811 GLU 126 HG2 -0.0147 0.0183 0.0054 1812 GLU 126 HG3 -0.0168 0.0175 0.0048 1813 MET 127 N -0.0045 0.0062 -0.0009 1814 MET 127 CA -0.0013 0.0053 -0.0069 1815 MET 127 C -0.0062 0.0052 -0.0121 1816 MET 127 O -0.0117 0.0058 -0.0108 1817 MET 127 CB 0.0035 0.0049 -0.0073 1818 MET 127 CG 0.0056 0.0054 -0.0008 1819 MET 127 SD 0.0132 0.0047 -0.0012 1820 MET 127 CE 0.0176 0.0045 0.0004 1821 MET 127 H -0.0038 0.0064 0.0023 1822 MET 127 HA 0.0010 0.0051 -0.0073 1823 MET 127 HB2 0.0015 0.0048 -0.0097 1824 MET 127 HB3 0.0075 0.0043 -0.0098 1825 MET 127 HG2 0.0058 0.0056 0.0022 1826 MET 127 HG3 0.0024 0.0058 0.0010 1827 MET 127 HE1 0.0159 0.0043 -0.0024 1828 MET 127 HE2 0.0224 0.0040 -0.0006 1829 MET 127 HE3 0.0172 0.0050 0.0053 1830 PRO 128 N -0.0026 0.0087 -0.0239 1831 PRO 128 CA -0.0085 0.0083 -0.0304 1832 PRO 128 C -0.0123 0.0055 -0.0252 1833 PRO 128 O -0.0089 0.0046 -0.0174 1834 PRO 128 CB -0.0020 0.0127 -0.0379 1835 PRO 128 CG 0.0052 0.0153 -0.0377 1836 PRO 128 CD 0.0066 0.0130 -0.0274 1837 PRO 128 HA -0.0142 0.0071 -0.0339 1838 PRO 128 HB2 0.0011 0.0133 -0.0359 1839 PRO 128 HB3 -0.0058 0.0133 -0.0448 1840 PRO 128 HG2 0.0115 0.0183 -0.0399 1841 PRO 128 HG3 0.0028 0.0157 -0.0422 1842 PRO 128 HD2 0.0118 0.0139 -0.0235 1843 PRO 128 HD3 0.0084 0.0136 -0.0271 1844 SER 129 N -0.0103 -0.0004 -0.0289 1845 SER 129 CA -0.0165 -0.0031 -0.0237 1846 SER 129 C -0.0144 -0.0009 -0.0200 1847 SER 129 O -0.0163 -0.0005 -0.0129 1848 SER 129 CB -0.0226 -0.0081 -0.0288 1849 SER 129 OG -0.0202 -0.0081 -0.0355 1850 SER 129 H -0.0107 -0.0020 -0.0347 1851 SER 129 HA -0.0183 -0.0031 -0.0187 1852 SER 129 HB2 -0.0270 -0.0100 -0.0251 1853 SER 129 HB3 -0.0242 -0.0097 -0.0312 1854 SER 129 HG -0.0204 -0.0078 -0.0334 1855 GLU 130 N -0.0168 0.0086 -0.0187 1856 GLU 130 CA -0.0136 0.0117 -0.0142 1857 GLU 130 C -0.0114 0.0076 -0.0097 1858 GLU 130 O -0.0120 0.0034 -0.0099 1859 GLU 130 CB -0.0130 0.0147 -0.0138 1860 GLU 130 CG -0.0133 0.0105 -0.0134 1861 GLU 130 CD -0.0124 0.0137 -0.0126 1862 GLU 130 OE1 -0.0113 0.0187 -0.0118 1863 GLU 130 OE2 -0.0128 0.0111 -0.0127 1864 GLU 130 H -0.0184 0.0104 -0.0216 1865 GLU 130 HA -0.0133 0.0148 -0.0143 1866 GLU 130 HB2 -0.0107 0.0172 -0.0106 1867 GLU 130 HB3 -0.0146 0.0176 -0.0170 1868 GLU 130 HG2 -0.0156 0.0084 -0.0167 1869 GLU 130 HG3 -0.0118 0.0075 -0.0104 1870 GLU 131 N -0.0060 0.0135 0.0007 1871 GLU 131 CA 0.0146 0.0038 0.0035 1872 GLU 131 C 0.0079 0.0006 -0.0147 1873 GLU 131 O 0.0119 0.0011 -0.0078 1874 GLU 131 CB 0.0197 0.0112 0.0310 1875 GLU 131 CG 0.0297 0.0125 0.0489 1876 GLU 131 CD 0.0333 0.0207 0.0766 1877 GLU 131 OE1 0.0281 0.0249 0.0806 1878 GLU 131 OE2 0.0413 0.0226 0.0934 1879 GLU 131 H -0.0225 0.0218 -0.0000 1880 GLU 131 HA 0.0306 -0.0063 -0.0012 1881 GLU 131 HB2 0.0031 0.0218 0.0366 1882 GLU 131 HB3 0.0327 0.0049 0.0324 1883 GLU 131 HG2 0.0468 0.0018 0.0440 1884 GLU 131 HG3 0.0171 0.0182 0.0467 1885 GLY 132 N -0.0123 0.0126 -0.0089 1886 GLY 132 CA -0.0143 0.0175 -0.0098 1887 GLY 132 C -0.0171 0.0185 -0.0092 1888 GLY 132 O -0.0162 0.0216 -0.0104 1889 GLY 132 H -0.0091 0.0118 -0.0098 1890 GLY 132 HA2 -0.0115 0.0197 -0.0114 1891 GLY 132 HA3 -0.0164 0.0182 -0.0093 1892 TYR 133 N -0.0178 0.0319 -0.0092 1893 TYR 133 CA -0.0166 0.0214 -0.0129 1894 TYR 133 C -0.0153 0.0125 -0.0168 1895 TYR 133 O -0.0118 0.0111 -0.0262 1896 TYR 133 CB -0.0201 0.0166 -0.0035 1897 TYR 133 CG -0.0186 0.0091 -0.0078 1898 TYR 133 CD1 -0.0175 -0.0019 -0.0114 1899 TYR 133 CD2 -0.0185 0.0132 -0.0081 1900 TYR 133 CE1 -0.0161 -0.0089 -0.0153 1901 TYR 133 CE2 -0.0171 0.0063 -0.0121 1902 TYR 133 CZ -0.0159 -0.0047 -0.0156 1903 TYR 133 OH -0.0146 -0.0115 -0.0195 1904 TYR 133 H -0.0165 0.0393 -0.0124 1905 TYR 133 HA -0.0141 0.0236 -0.0194 1906 TYR 133 HB2 -0.0217 0.0236 0.0010 1907 TYR 133 HB3 -0.0221 0.0117 0.0016 1908 TYR 133 HD1 -0.0176 -0.0051 -0.0111 1909 TYR 133 HD2 -0.0194 0.0217 -0.0053 1910 TYR 133 HE1 -0.0152 -0.0174 -0.0181 1911 TYR 133 HE2 -0.0170 0.0095 -0.0123 1912 TYR 133 HH -0.0117 -0.0118 -0.0272 1913 GLN 134 N -0.0115 0.0220 -0.0138 1914 GLN 134 CA -0.0100 0.0081 -0.0199 1915 GLN 134 C -0.0131 0.0083 0.0012 1916 GLN 134 O -0.0158 0.0021 0.0209 1917 GLN 134 CB -0.0079 -0.0177 -0.0261 1918 GLN 134 CG -0.0106 -0.0315 -0.0037 1919 GLN 134 CD -0.0085 -0.0546 -0.0108 1920 GLN 134 OE1 -0.0095 -0.0591 -0.0030 1921 GLN 134 NE2 -0.0057 -0.0695 -0.0253 1922 GLN 134 H -0.0141 0.0241 0.0028 1923 GLN 134 HA -0.0081 0.0164 -0.0350 1924 GLN 134 HB2 -0.0063 -0.0265 -0.0340 1925 GLN 134 HB3 -0.0060 -0.0176 -0.0387 1926 GLN 134 HG2 -0.0127 -0.0205 0.0068 1927 GLN 134 HG3 -0.0119 -0.0361 0.0066 1928 GLN 134 HE21 -0.0049 -0.0658 -0.0315 1929 GLN 134 HE22 -0.0043 -0.0842 -0.0300 1930 ASP 135 N -0.0119 0.0139 -0.0027 1931 ASP 135 CA -0.0134 0.0147 0.0098 1932 ASP 135 C -0.0143 0.0162 0.0107 1933 ASP 135 O -0.0142 0.0146 0.0199 1934 ASP 135 CB -0.0192 0.0238 0.0148 1935 ASP 135 CG -0.0203 0.0239 0.0279 1936 ASP 135 OD1 -0.0163 0.0163 0.0339 1937 ASP 135 OD2 -0.0252 0.0317 0.0319 1938 ASP 135 H -0.0127 0.0161 -0.0088 1939 ASP 135 HA -0.0098 0.0079 0.0147 1940 ASP 135 HB2 -0.0187 0.0232 0.0132 1941 ASP 135 HB3 -0.0229 0.0306 0.0107 1942 TYR 136 N -0.0167 0.0192 -0.0031 1943 TYR 136 CA -0.0148 0.0159 -0.0026 1944 TYR 136 C -0.0078 0.0132 -0.0083 1945 TYR 136 O -0.0054 0.0173 -0.0140 1946 TYR 136 CB -0.0185 0.0217 -0.0031 1947 TYR 136 CG -0.0194 0.0292 -0.0079 1948 TYR 136 CD1 -0.0147 0.0314 -0.0147 1949 TYR 136 CD2 -0.0248 0.0339 -0.0056 1950 TYR 136 CE1 -0.0155 0.0384 -0.0192 1951 TYR 136 CE2 -0.0256 0.0408 -0.0101 1952 TYR 136 CZ -0.0210 0.0430 -0.0169 1953 TYR 136 OH -0.0218 0.0499 -0.0213 1954 TYR 136 H -0.0153 0.0228 -0.0074 1955 TYR 136 HA -0.0159 0.0113 0.0021 1956 TYR 136 HB2 -0.0160 0.0203 -0.0048 1957 TYR 136 HB3 -0.0231 0.0219 0.0017 1958 TYR 136 HD1 -0.0106 0.0278 -0.0165 1959 TYR 136 HD2 -0.0284 0.0321 -0.0004 1960 TYR 136 HE1 -0.0120 0.0401 -0.0244 1961 TYR 136 HE2 -0.0298 0.0444 -0.0083 1962 TYR 136 HH -0.0184 0.0492 -0.0244 1963 GLU 137 N 0.0091 -0.0041 0.0163 1964 GLU 137 CA 0.0291 -0.0166 -0.0044 1965 GLU 137 C 0.0167 0.0000 -0.0252 1966 GLU 137 O 0.0212 0.0039 -0.0554 1967 GLU 137 CB 0.0449 -0.0369 0.0186 1968 GLU 137 CG 0.0698 -0.0595 0.0201 1969 GLU 137 CD 0.0891 -0.0685 -0.0115 1970 GLU 137 OE1 0.0810 -0.0544 -0.0371 1971 GLU 137 OE2 0.1117 -0.0893 -0.0095 1972 GLU 137 H 0.0082 -0.0097 0.0403 1973 GLU 137 HA 0.0414 -0.0232 -0.0212 1974 GLU 137 HB2 0.0339 -0.0335 0.0432 1975 GLU 137 HB3 0.0495 -0.0386 0.0095 1976 GLU 137 HG2 0.0658 -0.0565 0.0221 1977 GLU 137 HG3 0.0776 -0.0721 0.0414 1978 PRO 138 N -0.0144 0.0216 -0.0088 1979 PRO 138 CA -0.0216 0.0270 -0.0147 1980 PRO 138 C -0.0195 0.0213 -0.0118 1981 PRO 138 O -0.0114 0.0150 -0.0051 1982 PRO 138 CB -0.0177 0.0421 -0.0165 1983 PRO 138 CG -0.0060 0.0438 -0.0099 1984 PRO 138 CD -0.0067 0.0324 -0.0071 1985 PRO 138 HA -0.0309 0.0248 -0.0197 1986 PRO 138 HB2 -0.0168 0.0462 -0.0171 1987 PRO 138 HB3 -0.0239 0.0470 -0.0217 1988 PRO 138 HG2 0.0010 0.0431 -0.0055 1989 PRO 138 HG3 -0.0045 0.0532 -0.0116 1990 PRO 138 HD2 0.0020 0.0298 -0.0011 1991 PRO 138 HD3 -0.0107 0.0350 -0.0102 1992 GLU 139 N -0.0221 0.0130 0.0078 1993 GLU 139 CA -0.0010 -0.0055 0.0371 1994 GLU 139 C 0.0317 -0.0149 0.0252 1995 GLU 139 O 0.0465 -0.0279 0.0459 1996 GLU 139 CB 0.0083 -0.0132 0.0487 1997 GLU 139 CG -0.0239 -0.0053 0.0644 1998 GLU 139 CD -0.0424 0.0121 0.0354 1999 GLU 139 OE1 -0.0313 0.0176 0.0052 2000 GLU 139 OE2 -0.0674 0.0195 0.0438 2001 GLU 139 H -0.0294 0.0185 0.0002 2002 GLU 139 HA -0.0151 -0.0069 0.0587 2003 GLU 139 HB2 0.0204 -0.0107 0.0264 2004 GLU 139 HB3 0.0257 -0.0268 0.0681 2005 GLU 139 HG2 -0.0167 -0.0137 0.0809 2006 GLU 139 HG3 -0.0407 -0.0036 0.0799 2007 ALA 140 N 0.0248 -0.0056 0.0111 2008 ALA 140 CA 0.0385 -0.0151 -0.0019 2009 ALA 140 C 0.0361 -0.0094 -0.0259 2010 ALA 140 O 0.0270 -0.0010 -0.0315 2011 ALA 140 CB 0.0555 -0.0299 0.0022 2012 ALA 140 OXT 0.0434 -0.0136 -0.0384 2013 ALA 140 H 0.0193 -0.0001 0.0046 2014 ALA 140 HA 0.0382 -0.0155 0.0028 2015 ALA 140 HB1 0.0564 -0.0332 0.0193 2016 ALA 140 HB2 0.0655 -0.0371 -0.0049 2017 ALA 140 HB3 0.0567 -0.0298 -0.0051