1 SER 347 N -0.0041 -0.0012 0.0066 2 SER 347 H1 -0.0054 -0.0005 0.0068 3 SER 347 H2 -0.0039 -0.0013 0.0074 4 SER 347 H3 -0.0034 -0.0016 0.0071 5 SER 347 CA -0.0040 -0.0012 0.0045 6 SER 347 HA -0.0041 -0.0011 0.0038 7 SER 347 C -0.0024 -0.0021 0.0039 8 SER 347 O -0.0023 -0.0021 0.0036 9 SER 347 CB -0.0056 -0.0003 0.0039 10 SER 347 HB2 -0.0056 -0.0002 0.0023 11 SER 347 HB3 -0.0054 -0.0004 0.0044 12 SER 347 OG -0.0071 0.0005 0.0047 13 SER 347 HG -0.0079 0.0010 0.0046 14 ARG 348 N -0.0010 -0.0029 0.0037 15 ARG 348 HN -0.0011 -0.0028 0.0037 16 ARG 348 CA 0.0007 -0.0039 0.0036 17 ARG 348 HA 0.0010 -0.0040 0.0049 18 ARG 348 C 0.0011 -0.0040 0.0020 19 ARG 348 O 0.0018 -0.0044 0.0024 20 ARG 348 CB 0.0019 -0.0045 0.0036 21 ARG 348 HB2 0.0015 -0.0043 0.0047 22 ARG 348 HB3 0.0018 -0.0044 0.0022 23 ARG 348 CG 0.0038 -0.0056 0.0040 24 ARG 348 HG2 0.0039 -0.0056 0.0050 25 ARG 348 HG3 0.0044 -0.0059 0.0027 26 ARG 348 CD 0.0048 -0.0062 0.0050 27 ARG 348 HD2 0.0041 -0.0058 0.0064 28 ARG 348 HD3 0.0061 -0.0069 0.0053 29 ARG 348 NE 0.0048 -0.0062 0.0037 30 ARG 348 HE 0.0044 -0.0059 0.0024 31 ARG 348 CZ 0.0053 -0.0065 0.0043 32 ARG 348 NH1 0.0059 -0.0068 0.0060 33 ARG 348 HH11 0.0060 -0.0069 0.0069 34 ARG 348 HH12 0.0063 -0.0071 0.0063 35 ARG 348 NH2 0.0053 -0.0064 0.0030 36 ARG 348 HH21 0.0049 -0.0061 0.0017 37 ARG 348 HH22 0.0057 -0.0066 0.0034 38 ALA 349 N 0.0007 -0.0037 0.0003 39 ALA 349 HN 0.0001 -0.0034 -0.0000 40 ALA 349 CA 0.0007 -0.0036 -0.0013 41 ALA 349 HA 0.0020 -0.0043 -0.0015 42 ALA 349 C -0.0003 -0.0031 -0.0010 43 ALA 349 O 0.0004 -0.0035 -0.0011 44 ALA 349 CB 0.0002 -0.0033 -0.0031 45 ALA 349 HB1 -0.0011 -0.0026 -0.0030 46 ALA 349 HB2 0.0009 -0.0037 -0.0034 47 ALA 349 HB3 0.0003 -0.0033 -0.0043 48 SER 350 N -0.0019 -0.0022 -0.0006 49 SER 350 HN -0.0024 -0.0019 -0.0006 50 SER 350 CA -0.0030 -0.0016 -0.0001 51 SER 350 HA -0.0032 -0.0015 -0.0013 52 SER 350 C -0.0023 -0.0020 0.0014 53 SER 350 O -0.0024 -0.0020 0.0011 54 SER 350 CB -0.0047 -0.0007 0.0007 55 SER 350 HB2 -0.0056 -0.0002 0.0007 56 SER 350 HB3 -0.0046 -0.0008 0.0021 57 SER 350 OG -0.0053 -0.0003 -0.0004 58 SER 350 HG -0.0065 0.0003 -0.0004 59 LEU 351 N -0.0017 -0.0024 0.0029 60 LEU 351 HN -0.0017 -0.0024 0.0031 61 LEU 351 CA -0.0009 -0.0029 0.0044 62 LEU 351 HA -0.0017 -0.0025 0.0049 63 LEU 351 C 0.0006 -0.0037 0.0037 64 LEU 351 O 0.0006 -0.0037 0.0038 65 LEU 351 CB -0.0004 -0.0033 0.0060 66 LEU 351 HB2 -0.0001 -0.0034 0.0055 67 LEU 351 HB3 0.0007 -0.0039 0.0067 68 LEU 351 CG -0.0016 -0.0026 0.0077 69 LEU 351 HG -0.0011 -0.0030 0.0086 70 LEU 351 CD1 -0.0018 -0.0026 0.0089 71 LEU 351 HD11 -0.0023 -0.0022 0.0081 72 LEU 351 HD12 -0.0006 -0.0033 0.0094 73 LEU 351 HD13 -0.0026 -0.0022 0.0101 74 LEU 351 CD2 -0.0033 -0.0017 0.0072 75 LEU 351 HD21 -0.0039 -0.0013 0.0062 76 LEU 351 HD22 -0.0040 -0.0013 0.0084 77 LEU 351 HD23 -0.0031 -0.0017 0.0065 78 ARG 352 N 0.0018 -0.0044 0.0028 79 ARG 352 HN 0.0018 -0.0044 0.0027 80 ARG 352 CA 0.0033 -0.0052 0.0019 81 ARG 352 HA 0.0040 -0.0056 0.0030 82 ARG 352 C 0.0029 -0.0049 0.0005 83 ARG 352 O 0.0035 -0.0053 0.0007 84 ARG 352 CB 0.0043 -0.0057 0.0009 85 ARG 352 HB2 0.0035 -0.0053 0.0000 86 ARG 352 HB3 0.0052 -0.0062 0.0000 87 ARG 352 CG 0.0052 -0.0063 0.0022 88 ARG 352 HG2 0.0044 -0.0058 0.0033 89 ARG 352 HG3 0.0061 -0.0068 0.0030 90 ARG 352 CD 0.0061 -0.0068 0.0013 91 ARG 352 HD2 0.0070 -0.0072 0.0002 92 ARG 352 HD3 0.0052 -0.0062 0.0006 93 ARG 352 NE 0.0070 -0.0073 0.0027 94 ARG 352 HE 0.0071 -0.0074 0.0039 95 ARG 352 CZ 0.0080 -0.0079 0.0025 96 ARG 352 NH1 0.0081 -0.0079 0.0009 97 ARG 352 HH11 0.0075 -0.0075 -0.0002 98 ARG 352 HH12 0.0089 -0.0083 0.0007 99 ARG 352 NH2 0.0089 -0.0084 0.0039 100 ARG 352 HH21 0.0089 -0.0085 0.0050 101 ARG 352 HH22 0.0096 -0.0088 0.0037 102 ARG 353 N 0.0016 -0.0042 -0.0007 103 ARG 353 HN 0.0012 -0.0039 -0.0008 104 ARG 353 CA 0.0010 -0.0037 -0.0019 105 ARG 353 HA 0.0019 -0.0042 -0.0027 106 ARG 353 C 0.0003 -0.0034 -0.0009 107 ARG 353 O 0.0009 -0.0037 -0.0011 108 ARG 353 CB -0.0002 -0.0030 -0.0031 109 ARG 353 HB2 0.0003 -0.0033 -0.0037 110 ARG 353 HB3 -0.0012 -0.0025 -0.0023 111 ARG 353 CG -0.0007 -0.0026 -0.0046 112 ARG 353 HG2 0.0003 -0.0032 -0.0054 113 ARG 353 HG3 -0.0013 -0.0024 -0.0040 114 ARG 353 CD -0.0019 -0.0019 -0.0059 115 ARG 353 HD2 -0.0030 -0.0013 -0.0052 116 ARG 353 HD3 -0.0015 -0.0021 -0.0065 117 ARG 353 NE -0.0022 -0.0017 -0.0072 118 ARG 353 HE -0.0030 -0.0012 -0.0070 119 ARG 353 CZ -0.0012 -0.0022 -0.0087 120 ARG 353 NH1 -0.0000 -0.0028 -0.0091 121 ARG 353 HH11 0.0001 -0.0030 -0.0084 122 ARG 353 HH12 0.0006 -0.0031 -0.0102 123 ARG 353 NH2 -0.0015 -0.0020 -0.0096 124 ARG 353 HH21 -0.0024 -0.0015 -0.0094 125 ARG 353 HH22 -0.0009 -0.0023 -0.0107 126 HIS 354 N -0.0009 -0.0028 0.0003 127 HIS 354 HN -0.0013 -0.0026 0.0004 128 HIS 354 CA -0.0016 -0.0024 0.0014 129 HIS 354 HA -0.0021 -0.0021 0.0006 130 HIS 354 C -0.0004 -0.0031 0.0025 131 HIS 354 O -0.0005 -0.0031 0.0024 132 HIS 354 CB -0.0028 -0.0018 0.0027 133 HIS 354 HB2 -0.0029 -0.0018 0.0039 134 HIS 354 HB3 -0.0024 -0.0020 0.0032 135 HIS 354 CG -0.0044 -0.0008 0.0020 136 HIS 354 ND1 -0.0055 -0.0002 0.0023 137 HIS 354 HD1 -0.0054 -0.0003 0.0031 138 HIS 354 CD2 -0.0051 -0.0004 0.0011 139 HIS 354 HD2 -0.0046 -0.0007 0.0006 140 HIS 354 CE1 -0.0068 0.0005 0.0017 141 HIS 354 HE1 -0.0079 0.0011 0.0017 142 HIS 354 NE2 -0.0066 0.0005 0.0009 143 HIS 354 HE2 -0.0074 0.0010 0.0003 144 TYR 355 N 0.0006 -0.0038 0.0035 145 TYR 355 HN 0.0006 -0.0038 0.0035 146 TYR 355 CA 0.0018 -0.0045 0.0045 147 TYR 355 HA 0.0013 -0.0042 0.0054 148 TYR 355 C 0.0029 -0.0051 0.0034 149 TYR 355 O 0.0031 -0.0053 0.0039 150 TYR 355 CB 0.0027 -0.0051 0.0056 151 TYR 355 HB2 0.0027 -0.0050 0.0050 152 TYR 355 HB3 0.0038 -0.0058 0.0058 153 TYR 355 CG 0.0019 -0.0047 0.0074 154 TYR 355 CD1 0.0008 -0.0041 0.0078 155 TYR 355 HD1 0.0005 -0.0038 0.0068 156 TYR 355 CD2 0.0024 -0.0050 0.0087 157 TYR 355 HD2 0.0032 -0.0055 0.0085 158 TYR 355 CE1 0.0001 -0.0037 0.0094 159 TYR 355 HE1 -0.0008 -0.0032 0.0097 160 TYR 355 CE2 0.0017 -0.0047 0.0104 161 TYR 355 HE2 0.0020 -0.0049 0.0114 162 TYR 355 CZ 0.0005 -0.0040 0.0107 163 TYR 355 OH -0.0003 -0.0037 0.0123 164 TYR 355 HH 0.0004 -0.0041 0.0132 165 SER 356 N 0.0036 -0.0054 0.0020 166 SER 356 HN 0.0034 -0.0053 0.0017 167 SER 356 CA 0.0046 -0.0060 0.0008 168 SER 356 HA 0.0055 -0.0065 0.0016 169 SER 356 C 0.0039 -0.0055 0.0000 170 SER 356 O 0.0045 -0.0059 0.0002 171 SER 356 CB 0.0053 -0.0063 -0.0007 172 SER 356 HB2 0.0061 -0.0068 -0.0000 173 SER 356 HB3 0.0061 -0.0067 -0.0015 174 SER 356 OG 0.0042 -0.0057 -0.0017 175 SER 356 HG 0.0038 -0.0054 -0.0009 176 VAL 357 N 0.0024 -0.0046 -0.0007 177 VAL 357 HN 0.0020 -0.0044 -0.0009 178 VAL 357 CA 0.0016 -0.0041 -0.0014 179 VAL 357 HA 0.0024 -0.0045 -0.0022 180 VAL 357 C 0.0012 -0.0039 -0.0000 181 VAL 357 O 0.0014 -0.0040 -0.0003 182 VAL 357 CB 0.0004 -0.0033 -0.0026 183 VAL 357 HB 0.0009 -0.0036 -0.0035 184 VAL 357 CG1 -0.0000 -0.0030 -0.0038 185 VAL 357 HG11 -0.0005 -0.0027 -0.0030 186 VAL 357 HG12 -0.0008 -0.0025 -0.0047 187 VAL 357 HG13 0.0009 -0.0035 -0.0045 188 VAL 357 CG2 -0.0009 -0.0026 -0.0017 189 VAL 357 HG21 -0.0015 -0.0023 -0.0010 190 VAL 357 HG22 -0.0006 -0.0028 -0.0009 191 VAL 357 HG23 -0.0017 -0.0021 -0.0027 192 ARG 358 N 0.0006 -0.0036 0.0015 193 ARG 358 HN 0.0003 -0.0035 0.0018 194 ARG 358 CA 0.0003 -0.0036 0.0029 195 ARG 358 HA -0.0004 -0.0031 0.0024 196 ARG 358 C 0.0016 -0.0044 0.0035 197 ARG 358 O 0.0016 -0.0044 0.0037 198 ARG 358 CB -0.0006 -0.0031 0.0045 199 ARG 358 HB2 -0.0010 -0.0030 0.0053 200 ARG 358 HB3 -0.0017 -0.0025 0.0040 201 ARG 358 CG 0.0001 -0.0036 0.0055 202 ARG 358 HG2 0.0011 -0.0042 0.0061 203 ARG 358 HG3 0.0005 -0.0038 0.0046 204 ARG 358 CD -0.0008 -0.0032 0.0070 205 ARG 358 HD2 -0.0013 -0.0029 0.0078 206 ARG 358 HD3 0.0000 -0.0037 0.0077 207 ARG 358 NE -0.0020 -0.0024 0.0063 208 ARG 358 HE -0.0023 -0.0021 0.0052 209 ARG 358 CZ -0.0027 -0.0021 0.0073 210 ARG 358 NH1 -0.0021 -0.0025 0.0087 211 ARG 358 HH11 -0.0011 -0.0031 0.0090 212 ARG 358 HH12 -0.0025 -0.0023 0.0092 213 ARG 358 NH2 -0.0039 -0.0013 0.0068 214 ARG 358 HH21 -0.0045 -0.0009 0.0060 215 ARG 358 HH22 -0.0044 -0.0010 0.0075 216 HIS 359 N 0.0028 -0.0052 0.0036 217 HIS 359 HN 0.0028 -0.0052 0.0034 218 HIS 359 CA 0.0042 -0.0061 0.0038 219 HIS 359 HA 0.0042 -0.0062 0.0050 220 HIS 359 C 0.0047 -0.0063 0.0025 221 HIS 359 O 0.0051 -0.0066 0.0030 222 HIS 359 CB 0.0054 -0.0069 0.0039 223 HIS 359 HB2 0.0053 -0.0067 0.0029 224 HIS 359 HB3 0.0052 -0.0069 0.0051 225 HIS 359 CG 0.0070 -0.0078 0.0037 226 HIS 359 ND1 0.0080 -0.0086 0.0047 227 HIS 359 HD1 0.0078 -0.0085 0.0057 228 HIS 359 CD2 0.0077 -0.0081 0.0024 229 HIS 359 HD2 0.0073 -0.0078 0.0013 230 HIS 359 CE1 0.0093 -0.0093 0.0041 231 HIS 359 HE1 0.0103 -0.0100 0.0047 232 HIS 359 NE2 0.0091 -0.0091 0.0027 233 HIS 359 HE2 0.0099 -0.0095 0.0020 234 LEU 360 N 0.0046 -0.0060 0.0008 235 LEU 360 HN 0.0043 -0.0058 0.0005 236 LEU 360 CA 0.0049 -0.0061 -0.0006 237 LEU 360 HA 0.0059 -0.0068 -0.0003 238 LEU 360 C 0.0038 -0.0055 -0.0005 239 LEU 360 O 0.0043 -0.0058 -0.0006 240 LEU 360 CB 0.0051 -0.0061 -0.0024 241 LEU 360 HB2 0.0059 -0.0065 -0.0031 242 LEU 360 HB3 0.0058 -0.0065 -0.0022 243 LEU 360 CG 0.0038 -0.0052 -0.0035 244 LEU 360 HG 0.0029 -0.0047 -0.0026 245 LEU 360 CD1 0.0033 -0.0048 -0.0045 246 LEU 360 HD11 0.0042 -0.0052 -0.0054 247 LEU 360 HD12 0.0030 -0.0046 -0.0037 248 LEU 360 HD13 0.0024 -0.0041 -0.0052 249 LEU 360 CD2 0.0042 -0.0053 -0.0046 250 LEU 360 HD21 0.0051 -0.0058 -0.0055 251 LEU 360 HD22 0.0033 -0.0046 -0.0054 252 LEU 360 HD23 0.0045 -0.0055 -0.0039 253 ALA 361 N 0.0024 -0.0046 -0.0003 254 ALA 361 HN 0.0020 -0.0044 -0.0003 255 ALA 361 CA 0.0013 -0.0039 -0.0001 256 ALA 361 HA 0.0013 -0.0038 -0.0012 257 ALA 361 C 0.0014 -0.0042 0.0013 258 ALA 361 O 0.0013 -0.0041 0.0011 259 ALA 361 CB -0.0002 -0.0030 0.0000 260 ALA 361 HB1 -0.0003 -0.0031 0.0011 261 ALA 361 HB2 -0.0003 -0.0029 -0.0010 262 ALA 361 HB3 -0.0010 -0.0025 0.0000 263 ALA 362 N 0.0017 -0.0045 0.0028 264 ALA 362 HN 0.0017 -0.0045 0.0030 265 ALA 362 CA 0.0021 -0.0049 0.0042 266 ALA 362 HA 0.0011 -0.0043 0.0046 267 ALA 362 C 0.0032 -0.0055 0.0038 268 ALA 362 O 0.0030 -0.0055 0.0043 269 ALA 362 CB 0.0025 -0.0053 0.0056 270 ALA 362 HB1 0.0034 -0.0058 0.0053 271 ALA 362 HB2 0.0016 -0.0048 0.0060 272 ALA 362 HB3 0.0027 -0.0055 0.0067 273 ARG 363 N 0.0043 -0.0062 0.0030 274 ARG 363 HN 0.0044 -0.0063 0.0028 275 ARG 363 CA 0.0054 -0.0068 0.0024 276 ARG 363 HA 0.0057 -0.0071 0.0034 277 ARG 363 C 0.0049 -0.0064 0.0011 278 ARG 363 O 0.0052 -0.0065 0.0012 279 ARG 363 CB 0.0067 -0.0076 0.0017 280 ARG 363 HB2 0.0064 -0.0073 0.0010 281 ARG 363 HB3 0.0073 -0.0079 0.0009 282 ARG 363 CG 0.0076 -0.0083 0.0030 283 ARG 363 HG2 0.0084 -0.0088 0.0024 284 ARG 363 HG3 0.0070 -0.0081 0.0038 285 ARG 363 CD 0.0082 -0.0088 0.0041 286 ARG 363 HD2 0.0076 -0.0086 0.0052 287 ARG 363 HD3 0.0081 -0.0087 0.0035 288 ARG 363 NE 0.0096 -0.0098 0.0043 289 ARG 363 HE 0.0098 -0.0100 0.0048 290 ARG 363 CZ 0.0107 -0.0104 0.0037 291 ARG 363 NH1 0.0107 -0.0103 0.0029 292 ARG 363 HH11 0.0098 -0.0097 0.0026 293 ARG 363 HH12 0.0115 -0.0107 0.0024 294 ARG 363 NH2 0.0120 -0.0112 0.0039 295 ARG 363 HH21 0.0121 -0.0113 0.0043 296 ARG 363 HH22 0.0128 -0.0117 0.0033 297 GLU 364 N 0.0042 -0.0058 -0.0001 298 GLU 364 HN 0.0041 -0.0057 -0.0002 299 GLU 364 CA 0.0036 -0.0052 -0.0014 300 GLU 364 HA 0.0045 -0.0057 -0.0020 301 GLU 364 C 0.0027 -0.0047 -0.0007 302 GLU 364 O 0.0027 -0.0046 -0.0014 303 GLU 364 CB 0.0029 -0.0046 -0.0026 304 GLU 364 HB2 0.0037 -0.0051 -0.0030 305 GLU 364 HB3 0.0020 -0.0041 -0.0020 306 GLU 364 CG 0.0025 -0.0042 -0.0041 307 GLU 364 HG2 0.0033 -0.0046 -0.0045 308 GLU 364 HG3 0.0016 -0.0036 -0.0038 309 GLU 364 CD 0.0023 -0.0038 -0.0055 310 GLU 364 OE1 0.0014 -0.0033 -0.0053 311 GLU 364 OE2 0.0030 -0.0041 -0.0068 312 LEU 365 N 0.0018 -0.0043 0.0006 313 LEU 365 HN 0.0017 -0.0043 0.0010 314 LEU 365 CA 0.0012 -0.0040 0.0016 315 LEU 365 HA 0.0007 -0.0036 0.0008 316 LEU 365 C 0.0022 -0.0048 0.0024 317 LEU 365 O 0.0022 -0.0048 0.0021 318 LEU 365 CB 0.0001 -0.0035 0.0028 319 LEU 365 HB2 -0.0005 -0.0030 0.0022 320 LEU 365 HB3 0.0006 -0.0040 0.0037 321 LEU 365 CG -0.0009 -0.0030 0.0037 322 LEU 365 HG -0.0002 -0.0035 0.0041 323 LEU 365 CD1 -0.0018 -0.0022 0.0025 324 LEU 365 HD11 -0.0025 -0.0017 0.0021 325 LEU 365 HD12 -0.0012 -0.0025 0.0016 326 LEU 365 HD13 -0.0024 -0.0019 0.0032 327 LEU 365 CD2 -0.0017 -0.0027 0.0051 328 LEU 365 HD21 -0.0023 -0.0022 0.0047 329 LEU 365 HD22 -0.0023 -0.0024 0.0057 330 LEU 365 HD23 -0.0010 -0.0032 0.0059 331 LEU 366 N 0.0030 -0.0055 0.0034 332 LEU 366 HN 0.0029 -0.0054 0.0036 333 LEU 366 CA 0.0039 -0.0062 0.0044 334 LEU 366 HA 0.0033 -0.0059 0.0052 335 LEU 366 C 0.0048 -0.0066 0.0034 336 LEU 366 O 0.0048 -0.0067 0.0039 337 LEU 366 CB 0.0048 -0.0069 0.0052 338 LEU 366 HB2 0.0042 -0.0066 0.0058 339 LEU 366 HB3 0.0055 -0.0072 0.0043 340 LEU 366 CG 0.0056 -0.0076 0.0065 341 LEU 366 HG 0.0059 -0.0078 0.0061 342 LEU 366 CD1 0.0047 -0.0072 0.0080 343 LEU 366 HD11 0.0043 -0.0070 0.0084 344 LEU 366 HD12 0.0040 -0.0067 0.0079 345 LEU 366 HD13 0.0054 -0.0078 0.0089 346 LEU 366 CD2 0.0069 -0.0085 0.0067 347 LEU 366 HD21 0.0066 -0.0084 0.0070 348 LEU 366 HD22 0.0075 -0.0090 0.0076 349 LEU 366 HD23 0.0075 -0.0087 0.0056 350 ASP 367 N 0.0055 -0.0070 0.0023 351 ASP 367 HN 0.0054 -0.0068 0.0019 352 ASP 367 CA 0.0064 -0.0074 0.0013 353 ASP 367 HA 0.0069 -0.0078 0.0021 354 ASP 367 C 0.0058 -0.0068 0.0001 355 ASP 367 O 0.0065 -0.0072 -0.0005 356 ASP 367 CB 0.0075 -0.0080 0.0006 357 ASP 367 HB2 0.0082 -0.0083 -0.0002 358 ASP 367 HB3 0.0071 -0.0077 -0.0001 359 ASP 367 CG 0.0084 -0.0088 0.0018 360 ASP 367 OD1 0.0089 -0.0093 0.0027 361 ASP 367 OD2 0.0085 -0.0089 0.0020 362 THR 368 N 0.0045 -0.0059 -0.0001 363 THR 368 HN 0.0039 -0.0057 0.0005 364 THR 368 CA 0.0037 -0.0053 -0.0009 365 THR 368 HA 0.0044 -0.0056 -0.0018 366 THR 368 C 0.0032 -0.0051 0.0000 367 THR 368 O 0.0033 -0.0051 -0.0006 368 THR 368 CB 0.0026 -0.0044 -0.0019 369 THR 368 HB 0.0020 -0.0040 -0.0023 370 THR 368 OG1 0.0017 -0.0040 -0.0010 371 THR 368 HG1 0.0021 -0.0042 -0.0012 372 THR 368 CG2 0.0032 -0.0046 -0.0033 373 THR 368 HG21 0.0038 -0.0050 -0.0030 374 THR 368 HG22 0.0038 -0.0048 -0.0041 375 THR 368 HG23 0.0024 -0.0040 -0.0040 376 GLU 369 N 0.0027 -0.0051 0.0015 377 GLU 369 HN 0.0025 -0.0050 0.0019 378 GLU 369 CA 0.0024 -0.0051 0.0026 379 GLU 369 HA 0.0016 -0.0045 0.0023 380 GLU 369 C 0.0035 -0.0058 0.0027 381 GLU 369 O 0.0034 -0.0057 0.0024 382 GLU 369 CB 0.0019 -0.0051 0.0042 383 GLU 369 HB2 0.0011 -0.0046 0.0042 384 GLU 369 HB3 0.0027 -0.0057 0.0046 385 GLU 369 CG 0.0016 -0.0052 0.0055 386 GLU 369 HG2 0.0024 -0.0057 0.0056 387 GLU 369 HG3 0.0015 -0.0053 0.0066 388 GLU 369 CD 0.0004 -0.0044 0.0055 389 GLU 369 OE1 -0.0005 -0.0037 0.0047 390 GLU 369 OE2 0.0003 -0.0045 0.0063 391 LYS 370 N 0.0047 -0.0066 0.0029 392 LYS 370 HN 0.0048 -0.0067 0.0031 393 LYS 370 CA 0.0059 -0.0074 0.0030 394 LYS 370 HA 0.0058 -0.0075 0.0040 395 LYS 370 C 0.0062 -0.0073 0.0016 396 LYS 370 O 0.0063 -0.0074 0.0018 397 LYS 370 CB 0.0071 -0.0082 0.0030 398 LYS 370 HB2 0.0072 -0.0081 0.0020 399 LYS 370 HB3 0.0080 -0.0087 0.0030 400 LYS 370 CG 0.0072 -0.0085 0.0044 401 LYS 370 HG2 0.0072 -0.0087 0.0055 402 LYS 370 HG3 0.0063 -0.0079 0.0045 403 LYS 370 CD 0.0084 -0.0092 0.0042 404 LYS 370 HD2 0.0093 -0.0097 0.0041 405 LYS 370 HD3 0.0084 -0.0090 0.0031 406 LYS 370 CE 0.0085 -0.0095 0.0055 407 LYS 370 HE2 0.0076 -0.0090 0.0057 408 LYS 370 HE3 0.0087 -0.0098 0.0065 409 LYS 370 NZ 0.0096 -0.0101 0.0050 410 LYS 370 HZ1 0.0093 -0.0097 0.0040 411 LYS 370 HZ2 0.0098 -0.0103 0.0058 412 LYS 370 HZ3 0.0104 -0.0106 0.0046 413 SER 371 N 0.0061 -0.0073 0.0003 414 SER 371 HN 0.0060 -0.0073 0.0002 415 SER 371 CA 0.0063 -0.0071 -0.0011 416 SER 371 HA 0.0071 -0.0077 -0.0010 417 SER 371 C 0.0053 -0.0063 -0.0013 418 SER 371 O 0.0055 -0.0063 -0.0019 419 SER 371 CB 0.0067 -0.0071 -0.0024 420 SER 371 HB2 0.0077 -0.0078 -0.0023 421 SER 371 HB3 0.0069 -0.0069 -0.0034 422 SER 371 OG 0.0059 -0.0065 -0.0025 423 SER 371 HG 0.0061 -0.0068 -0.0020 424 PHE 372 N 0.0041 -0.0056 -0.0009 425 PHE 372 HN 0.0039 -0.0056 -0.0006 426 PHE 372 CA 0.0030 -0.0049 -0.0007 427 PHE 372 HA 0.0029 -0.0046 -0.0018 428 PHE 372 C 0.0031 -0.0052 0.0003 429 PHE 372 O 0.0030 -0.0050 -0.0002 430 PHE 372 CB 0.0018 -0.0042 -0.0003 431 PHE 372 HB2 0.0016 -0.0038 -0.0012 432 PHE 372 HB3 0.0020 -0.0046 0.0005 433 PHE 372 CG 0.0007 -0.0036 0.0005 434 PHE 372 CD1 0.0002 -0.0036 0.0019 435 PHE 372 HD1 0.0005 -0.0040 0.0024 436 PHE 372 CD2 0.0002 -0.0031 -0.0002 437 PHE 372 HD2 0.0007 -0.0031 -0.0013 438 PHE 372 CE1 -0.0008 -0.0031 0.0026 439 PHE 372 HE1 -0.0012 -0.0031 0.0037 440 PHE 372 CE2 -0.0007 -0.0026 0.0005 441 PHE 372 HE2 -0.0010 -0.0023 -0.0000 442 PHE 372 CZ -0.0013 -0.0026 0.0019 443 PHE 372 HZ -0.0020 -0.0022 0.0024 444 VAL 373 N 0.0034 -0.0057 0.0017 445 VAL 373 HN 0.0034 -0.0057 0.0020 446 VAL 373 CA 0.0036 -0.0061 0.0028 447 VAL 373 HA 0.0029 -0.0056 0.0029 448 VAL 373 C 0.0047 -0.0067 0.0022 449 VAL 373 O 0.0045 -0.0066 0.0022 450 VAL 373 CB 0.0038 -0.0065 0.0042 451 VAL 373 HB 0.0044 -0.0070 0.0040 452 VAL 373 CG1 0.0042 -0.0071 0.0053 453 VAL 373 HG11 0.0035 -0.0067 0.0055 454 VAL 373 HG12 0.0050 -0.0076 0.0049 455 VAL 373 HG13 0.0042 -0.0074 0.0063 456 VAL 373 CG2 0.0026 -0.0058 0.0049 457 VAL 373 HG21 0.0019 -0.0054 0.0051 458 VAL 373 HG22 0.0027 -0.0061 0.0059 459 VAL 373 HG23 0.0023 -0.0054 0.0041 460 GLU 374 N 0.0057 -0.0074 0.0016 461 GLU 374 HN 0.0057 -0.0074 0.0017 462 GLU 374 CA 0.0067 -0.0079 0.0008 463 GLU 374 HA 0.0071 -0.0084 0.0015 464 GLU 374 C 0.0064 -0.0074 -0.0004 465 GLU 374 O 0.0067 -0.0077 -0.0003 466 GLU 374 CB 0.0075 -0.0084 0.0001 467 GLU 374 HB2 0.0077 -0.0087 0.0010 468 GLU 374 HB3 0.0071 -0.0079 -0.0006 469 GLU 374 CG 0.0088 -0.0091 -0.0006 470 GLU 374 HG2 0.0093 -0.0097 0.0001 471 GLU 374 HG3 0.0087 -0.0089 -0.0015 472 GLU 374 CD 0.0094 -0.0095 -0.0013 473 GLU 374 OE1 0.0090 -0.0089 -0.0022 474 GLU 374 OE2 0.0104 -0.0103 -0.0008 475 GLY 375 N 0.0056 -0.0067 -0.0013 476 GLY 375 HN 0.0055 -0.0066 -0.0013 477 GLY 375 CA 0.0050 -0.0060 -0.0023 478 GLY 375 HA2 0.0057 -0.0062 -0.0031 479 GLY 375 HA3 0.0045 -0.0054 -0.0027 480 GLY 375 C 0.0043 -0.0056 -0.0017 481 GLY 375 O 0.0045 -0.0056 -0.0023 482 LEU 376 N 0.0035 -0.0053 -0.0006 483 LEU 376 HN 0.0033 -0.0053 -0.0002 484 LEU 376 CA 0.0028 -0.0050 0.0002 485 LEU 376 HA 0.0023 -0.0045 -0.0005 486 LEU 376 C 0.0035 -0.0058 0.0009 487 LEU 376 O 0.0034 -0.0056 0.0007 488 LEU 376 CB 0.0018 -0.0047 0.0014 489 LEU 376 HB2 0.0022 -0.0052 0.0021 490 LEU 376 HB3 0.0013 -0.0045 0.0020 491 LEU 376 CG 0.0008 -0.0038 0.0010 492 LEU 376 HG 0.0012 -0.0039 0.0004 493 LEU 376 CD1 -0.0001 -0.0036 0.0023 494 LEU 376 HD11 -0.0005 -0.0034 0.0029 495 LEU 376 HD12 0.0004 -0.0041 0.0030 496 LEU 376 HD13 -0.0008 -0.0030 0.0020 497 LEU 376 CD2 0.0001 -0.0030 -0.0001 498 LEU 376 HD21 -0.0003 -0.0028 0.0004 499 LEU 376 HD22 -0.0006 -0.0024 -0.0003 500 LEU 376 HD23 0.0007 -0.0031 -0.0011 501 GLU 377 N 0.0044 -0.0067 0.0018 502 GLU 377 HN 0.0044 -0.0067 0.0019 503 GLU 377 CA 0.0052 -0.0076 0.0024 504 GLU 377 HA 0.0048 -0.0074 0.0032 505 GLU 377 C 0.0060 -0.0078 0.0013 506 GLU 377 O 0.0061 -0.0080 0.0016 507 GLU 377 CB 0.0060 -0.0084 0.0031 508 GLU 377 HB2 0.0054 -0.0081 0.0038 509 GLU 377 HB3 0.0065 -0.0085 0.0023 510 GLU 377 CG 0.0067 -0.0093 0.0041 511 GLU 377 HG2 0.0062 -0.0091 0.0049 512 GLU 377 HG3 0.0074 -0.0096 0.0034 513 GLU 377 CD 0.0074 -0.0100 0.0048 514 GLU 377 OE1 0.0068 -0.0099 0.0057 515 GLU 377 OE2 0.0084 -0.0108 0.0044 516 PHE 378 N 0.0064 -0.0078 0.0000 517 PHE 378 HN 0.0064 -0.0077 -0.0001 518 PHE 378 CA 0.0070 -0.0078 -0.0012 519 PHE 378 HA 0.0077 -0.0085 -0.0009 520 PHE 378 C 0.0062 -0.0070 -0.0017 521 PHE 378 O 0.0065 -0.0073 -0.0019 522 PHE 378 CB 0.0075 -0.0079 -0.0025 523 PHE 378 HB2 0.0078 -0.0083 -0.0020 524 PHE 378 HB3 0.0068 -0.0071 -0.0031 525 PHE 378 CG 0.0085 -0.0084 -0.0034 526 PHE 378 CD1 0.0083 -0.0079 -0.0045 527 PHE 378 HD1 0.0074 -0.0071 -0.0046 528 PHE 378 CD2 0.0096 -0.0093 -0.0033 529 PHE 378 HD2 0.0098 -0.0097 -0.0025 530 PHE 378 CE1 0.0092 -0.0084 -0.0053 531 PHE 378 HE1 0.0091 -0.0080 -0.0061 532 PHE 378 CE2 0.0105 -0.0098 -0.0042 533 PHE 378 HE2 0.0114 -0.0105 -0.0041 534 PHE 378 CZ 0.0103 -0.0093 -0.0052 535 PHE 378 HZ 0.0110 -0.0097 -0.0059 536 LEU 379 N 0.0049 -0.0061 -0.0019 537 LEU 379 HN 0.0047 -0.0059 -0.0019 538 LEU 379 CA 0.0039 -0.0052 -0.0023 539 LEU 379 HA 0.0043 -0.0051 -0.0033 540 LEU 379 C 0.0037 -0.0053 -0.0014 541 LEU 379 O 0.0038 -0.0052 -0.0019 542 LEU 379 CB 0.0028 -0.0043 -0.0023 543 LEU 379 HB2 0.0031 -0.0043 -0.0031 544 LEU 379 HB3 0.0026 -0.0045 -0.0013 545 LEU 379 CG 0.0017 -0.0034 -0.0025 546 LEU 379 HG 0.0015 -0.0035 -0.0016 547 LEU 379 CD1 0.0018 -0.0030 -0.0038 548 LEU 379 HD11 0.0017 -0.0026 -0.0047 549 LEU 379 HD12 0.0026 -0.0036 -0.0041 550 LEU 379 HD13 0.0011 -0.0025 -0.0037 551 LEU 379 CD2 0.0007 -0.0027 -0.0023 552 LEU 379 HD21 0.0008 -0.0025 -0.0031 553 LEU 379 HD22 -0.0001 -0.0020 -0.0023 554 LEU 379 HD23 0.0006 -0.0030 -0.0013 555 VAL 380 N 0.0033 -0.0055 0.0000 556 VAL 380 HN 0.0032 -0.0056 0.0004 557 VAL 380 CA 0.0030 -0.0056 0.0010 558 VAL 380 HA 0.0023 -0.0050 0.0007 559 VAL 380 C 0.0040 -0.0063 0.0010 560 VAL 380 O 0.0038 -0.0062 0.0009 561 VAL 380 CB 0.0024 -0.0057 0.0025 562 VAL 380 HB 0.0022 -0.0057 0.0031 563 VAL 380 CG1 0.0033 -0.0066 0.0033 564 VAL 380 HG11 0.0036 -0.0066 0.0027 565 VAL 380 HG12 0.0028 -0.0066 0.0043 566 VAL 380 HG13 0.0040 -0.0072 0.0034 567 VAL 380 CG2 0.0013 -0.0048 0.0026 568 VAL 380 HG21 0.0015 -0.0048 0.0021 569 VAL 380 HG22 0.0007 -0.0042 0.0020 570 VAL 380 HG23 0.0008 -0.0048 0.0037 571 THR 381 N 0.0051 -0.0074 0.0012 572 THR 381 HN 0.0052 -0.0075 0.0012 573 THR 381 CA 0.0062 -0.0082 0.0012 574 THR 381 HA 0.0059 -0.0083 0.0019 575 THR 381 C 0.0066 -0.0081 -0.0002 576 THR 381 O 0.0071 -0.0085 -0.0002 577 THR 381 CB 0.0071 -0.0092 0.0017 578 THR 381 HB 0.0079 -0.0098 0.0015 579 THR 381 OG1 0.0075 -0.0092 0.0009 580 THR 381 HG1 0.0069 -0.0089 0.0013 581 THR 381 CG2 0.0068 -0.0096 0.0032 582 THR 381 HG21 0.0060 -0.0090 0.0035 583 THR 381 HG22 0.0066 -0.0096 0.0039 584 THR 381 HG23 0.0076 -0.0103 0.0036 585 LYS 382 N 0.0066 -0.0076 -0.0015 586 LYS 382 HN 0.0063 -0.0073 -0.0015 587 LYS 382 CA 0.0070 -0.0074 -0.0029 588 LYS 382 HA 0.0076 -0.0080 -0.0027 589 LYS 382 C 0.0061 -0.0064 -0.0035 590 LYS 382 O 0.0064 -0.0065 -0.0040 591 LYS 382 CB 0.0077 -0.0075 -0.0040 592 LYS 382 HB2 0.0076 -0.0076 -0.0037 593 LYS 382 HB3 0.0073 -0.0068 -0.0050 594 LYS 382 CG 0.0090 -0.0084 -0.0046 595 LYS 382 HG2 0.0093 -0.0082 -0.0057 596 LYS 382 HG3 0.0091 -0.0084 -0.0046 597 LYS 382 CD 0.0099 -0.0094 -0.0037 598 LYS 382 HD2 0.0106 -0.0100 -0.0039 599 LYS 382 HD3 0.0103 -0.0096 -0.0042 600 LYS 382 CE 0.0095 -0.0097 -0.0021 601 LYS 382 HE2 0.0090 -0.0095 -0.0016 602 LYS 382 HE3 0.0103 -0.0106 -0.0017 603 LYS 382 NZ 0.0088 -0.0093 -0.0018 604 LYS 382 HZ1 0.0082 -0.0086 -0.0023 605 LYS 382 HZ2 0.0084 -0.0094 -0.0007 606 LYS 382 HZ3 0.0094 -0.0096 -0.0021 607 TYR 383 N 0.0049 -0.0055 -0.0034 608 TYR 383 HN 0.0047 -0.0055 -0.0030 609 TYR 383 CA 0.0040 -0.0045 -0.0040 610 TYR 383 HA 0.0044 -0.0046 -0.0048 611 TYR 383 C 0.0031 -0.0043 -0.0030 612 TYR 383 O 0.0028 -0.0039 -0.0033 613 TYR 383 CB 0.0033 -0.0037 -0.0048 614 TYR 383 HB2 0.0031 -0.0038 -0.0042 615 TYR 383 HB3 0.0025 -0.0030 -0.0051 616 TYR 383 CG 0.0041 -0.0038 -0.0062 617 TYR 383 CD1 0.0045 -0.0036 -0.0073 618 TYR 383 HD1 0.0042 -0.0035 -0.0071 619 TYR 383 CD2 0.0045 -0.0039 -0.0066 620 TYR 383 HD2 0.0042 -0.0040 -0.0058 621 TYR 383 CE1 0.0052 -0.0037 -0.0086 622 TYR 383 HE1 0.0055 -0.0035 -0.0094 623 TYR 383 CE2 0.0052 -0.0039 -0.0079 624 TYR 383 HE2 0.0054 -0.0040 -0.0082 625 TYR 383 CZ 0.0056 -0.0038 -0.0089 626 TYR 383 OH 0.0062 -0.0038 -0.0102 627 TYR 383 HH 0.0065 -0.0039 -0.0103 628 MET 384 N 0.0025 -0.0044 -0.0017 629 MET 384 HN 0.0028 -0.0046 -0.0015 630 MET 384 CA 0.0016 -0.0040 -0.0007 631 MET 384 HA 0.0010 -0.0033 -0.0013 632 MET 384 C 0.0020 -0.0046 -0.0001 633 MET 384 O 0.0015 -0.0042 -0.0002 634 MET 384 CB 0.0009 -0.0039 0.0005 635 MET 384 HB2 0.0015 -0.0047 0.0011 636 MET 384 HB3 0.0006 -0.0035 -0.0001 637 MET 384 CG -0.0002 -0.0035 0.0015 638 MET 384 HG2 0.0001 -0.0041 0.0023 639 MET 384 HG3 -0.0008 -0.0033 0.0020 640 MET 384 SD -0.0012 -0.0025 0.0008 641 MET 384 CE -0.0015 -0.0016 -0.0007 642 MET 384 HE1 -0.0022 -0.0009 -0.0010 643 MET 384 HE2 -0.0018 -0.0015 -0.0004 644 MET 384 HE3 -0.0007 -0.0018 -0.0016 645 ARG 385 N 0.0030 -0.0056 0.0007 646 ARG 385 HN 0.0033 -0.0059 0.0008 647 ARG 385 CA 0.0035 -0.0063 0.0013 648 ARG 385 HA 0.0029 -0.0062 0.0023 649 ARG 385 C 0.0037 -0.0061 0.0003 650 ARG 385 O 0.0032 -0.0059 0.0009 651 ARG 385 CB 0.0047 -0.0075 0.0018 652 ARG 385 HB2 0.0045 -0.0076 0.0025 653 ARG 385 HB3 0.0054 -0.0077 0.0008 654 ARG 385 CG 0.0053 -0.0083 0.0025 655 ARG 385 HG2 0.0046 -0.0082 0.0036 656 ARG 385 HG3 0.0053 -0.0080 0.0018 657 ARG 385 CD 0.0065 -0.0094 0.0028 658 ARG 385 HD2 0.0072 -0.0096 0.0017 659 ARG 385 HD3 0.0065 -0.0097 0.0035 660 ARG 385 NE 0.0068 -0.0100 0.0035 661 ARG 385 HE 0.0064 -0.0101 0.0046 662 ARG 385 CZ 0.0073 -0.0101 0.0028 663 ARG 385 NH1 0.0079 -0.0100 0.0015 664 ARG 385 HH11 0.0081 -0.0100 0.0009 665 ARG 385 HH12 0.0082 -0.0101 0.0011 666 ARG 385 NH2 0.0071 -0.0103 0.0036 667 ARG 385 HH21 0.0065 -0.0102 0.0047 668 ARG 385 HH22 0.0074 -0.0104 0.0032 669 PRO 386 N 0.0043 -0.0059 -0.0011 670 PRO 386 CA 0.0043 -0.0055 -0.0021 671 PRO 386 HA 0.0048 -0.0061 -0.0017 672 PRO 386 C 0.0031 -0.0045 -0.0022 673 PRO 386 O 0.0032 -0.0045 -0.0025 674 PRO 386 CB 0.0050 -0.0055 -0.0036 675 PRO 386 HB2 0.0044 -0.0048 -0.0042 676 PRO 386 HB3 0.0055 -0.0056 -0.0043 677 PRO 386 CG 0.0060 -0.0065 -0.0032 678 PRO 386 HG2 0.0067 -0.0072 -0.0029 679 PRO 386 HG3 0.0064 -0.0064 -0.0041 680 PRO 386 CD 0.0052 -0.0064 -0.0018 681 PRO 386 HD2 0.0058 -0.0072 -0.0011 682 PRO 386 HD3 0.0048 -0.0059 -0.0021 683 LEU 387 N 0.0019 -0.0038 -0.0018 684 LEU 387 HN 0.0019 -0.0039 -0.0015 685 LEU 387 CA 0.0007 -0.0029 -0.0016 686 LEU 387 HA 0.0008 -0.0027 -0.0024 687 LEU 387 C 0.0002 -0.0032 -0.0002 688 LEU 387 O -0.0005 -0.0027 -0.0001 689 LEU 387 CB -0.0003 -0.0020 -0.0018 690 LEU 387 HB2 -0.0004 -0.0023 -0.0011 691 LEU 387 HB3 -0.0012 -0.0014 -0.0015 692 LEU 387 CG -0.0002 -0.0014 -0.0034 693 LEU 387 HG -0.0011 -0.0007 -0.0033 694 LEU 387 CD1 -0.0003 -0.0009 -0.0044 695 LEU 387 HD11 0.0006 -0.0014 -0.0046 696 LEU 387 HD12 -0.0011 -0.0004 -0.0040 697 LEU 387 HD13 -0.0004 -0.0003 -0.0055 698 LEU 387 CD2 0.0008 -0.0019 -0.0040 699 LEU 387 HD21 0.0017 -0.0026 -0.0042 700 LEU 387 HD22 0.0007 -0.0014 -0.0050 701 LEU 387 HD23 0.0008 -0.0023 -0.0032 702 ARG 388 N 0.0006 -0.0040 0.0010 703 ARG 388 HN 0.0012 -0.0044 0.0009 704 ARG 388 CA 0.0001 -0.0042 0.0025 705 ARG 388 HA -0.0008 -0.0035 0.0025 706 ARG 388 C 0.0008 -0.0050 0.0030 707 ARG 388 O 0.0002 -0.0049 0.0036 708 ARG 388 CB -0.0001 -0.0046 0.0036 709 ARG 388 HB2 -0.0005 -0.0041 0.0031 710 ARG 388 HB3 0.0008 -0.0054 0.0037 711 ARG 388 CG -0.0010 -0.0045 0.0050 712 ARG 388 HG2 -0.0019 -0.0037 0.0048 713 ARG 388 HG3 -0.0007 -0.0050 0.0055 714 ARG 388 CD -0.0012 -0.0048 0.0061 715 ARG 388 HD2 -0.0004 -0.0057 0.0066 716 ARG 388 HD3 -0.0014 -0.0044 0.0057 717 ARG 388 NE -0.0023 -0.0045 0.0073 718 ARG 388 HE -0.0021 -0.0050 0.0082 719 ARG 388 CZ -0.0035 -0.0036 0.0074 720 ARG 388 NH1 -0.0039 -0.0028 0.0063 721 ARG 388 HH11 -0.0032 -0.0029 0.0055 722 ARG 388 HH12 -0.0047 -0.0021 0.0064 723 ARG 388 NH2 -0.0044 -0.0034 0.0085 724 ARG 388 HH21 -0.0041 -0.0039 0.0092 725 ARG 388 HH22 -0.0052 -0.0027 0.0085 726 GLN 389 N 0.0023 -0.0060 0.0028 727 GLN 389 HN 0.0027 -0.0060 0.0021 728 GLN 389 CA 0.0030 -0.0069 0.0035 729 GLN 389 HA 0.0024 -0.0067 0.0042 730 GLN 389 C 0.0040 -0.0072 0.0024 731 GLN 389 O 0.0042 -0.0076 0.0029 732 GLN 389 CB 0.0036 -0.0078 0.0045 733 GLN 389 HB2 0.0030 -0.0075 0.0050 734 GLN 389 HB3 0.0044 -0.0082 0.0038 735 GLN 389 CG 0.0040 -0.0087 0.0057 736 GLN 389 HG2 0.0032 -0.0083 0.0064 737 GLN 389 HG3 0.0047 -0.0091 0.0052 738 GLN 389 CD 0.0045 -0.0095 0.0067 739 GLN 389 OE1 0.0054 -0.0101 0.0061 740 GLN 389 NE2 0.0040 -0.0097 0.0081 741 GLN 389 HE21 0.0044 -0.0103 0.0088 742 GLN 389 HE22 0.0033 -0.0093 0.0085 743 PRO 390 N 0.0046 -0.0072 0.0010 744 PRO 390 CA 0.0053 -0.0073 -0.0001 745 PRO 390 HA 0.0060 -0.0081 0.0004 746 PRO 390 C 0.0047 -0.0066 -0.0006 747 PRO 390 O 0.0037 -0.0060 0.0001 748 PRO 390 CB 0.0059 -0.0072 -0.0014 749 PRO 390 HB2 0.0053 -0.0064 -0.0021 750 PRO 390 HB3 0.0068 -0.0077 -0.0020 751 PRO 390 CG 0.0060 -0.0077 -0.0006 752 PRO 390 HG2 0.0068 -0.0085 -0.0001 753 PRO 390 HG3 0.0062 -0.0075 -0.0014 754 PRO 390 CD 0.0049 -0.0072 0.0005 755 PRO 390 HD2 0.0049 -0.0076 0.0014 756 PRO 390 HD3 0.0041 -0.0063 0.0001 757 LEU 391 N 0.0054 -0.0067 -0.0016 758 LEU 391 HN 0.0062 -0.0071 -0.0021 759 LEU 391 CA 0.0052 -0.0063 -0.0021 760 LEU 391 HA 0.0045 -0.0061 -0.0012 761 LEU 391 C 0.0046 -0.0053 -0.0034 762 LEU 391 O 0.0038 -0.0045 -0.0035 763 LEU 391 CB 0.0064 -0.0072 -0.0025 764 LEU 391 HB2 0.0071 -0.0073 -0.0034 765 LEU 391 HB3 0.0062 -0.0068 -0.0030 766 LEU 391 CG 0.0071 -0.0083 -0.0013 767 LEU 391 HG 0.0064 -0.0081 -0.0004 768 LEU 391 CD1 0.0077 -0.0090 -0.0007 769 LEU 391 HD11 0.0083 -0.0092 -0.0016 770 LEU 391 HD12 0.0069 -0.0087 -0.0001 771 LEU 391 HD13 0.0082 -0.0098 0.0001 772 LEU 391 CD2 0.0081 -0.0088 -0.0019 773 LEU 391 HD21 0.0088 -0.0090 -0.0028 774 LEU 391 HD22 0.0085 -0.0096 -0.0010 775 LEU 391 HD23 0.0076 -0.0083 -0.0022 776 GLU 392 N 0.0051 -0.0052 -0.0045 777 GLU 392 HN 0.0057 -0.0058 -0.0044 778 GLU 392 CA 0.0047 -0.0043 -0.0059 779 GLU 392 HA 0.0050 -0.0042 -0.0065 780 GLU 392 C 0.0033 -0.0032 -0.0057 781 GLU 392 O 0.0028 -0.0030 -0.0052 782 GLU 392 CB 0.0055 -0.0045 -0.0067 783 GLU 392 HB2 0.0051 -0.0038 -0.0076 784 GLU 392 HB3 0.0064 -0.0051 -0.0073 785 GLU 392 CG 0.0056 -0.0051 -0.0058 786 GLU 392 HG2 0.0057 -0.0048 -0.0065 787 GLU 392 HG3 0.0049 -0.0048 -0.0049 788 GLU 392 CD 0.0068 -0.0063 -0.0053 789 GLU 392 OE1 0.0077 -0.0068 -0.0059 790 GLU 392 OE2 0.0069 -0.0067 -0.0044 791 CYS 393 N 0.0026 -0.0023 -0.0060 792 CYS 393 HN 0.0030 -0.0025 -0.0064 793 CYS 393 CA 0.0012 -0.0013 -0.0058 794 CYS 393 HA 0.0008 -0.0013 -0.0051 795 CYS 393 C 0.0008 -0.0004 -0.0073 796 CYS 393 O 0.0014 -0.0003 -0.0084 797 CYS 393 CB 0.0006 -0.0011 -0.0052 798 CYS 393 HB2 -0.0004 -0.0003 -0.0052 799 CYS 393 HB3 0.0011 -0.0012 -0.0059 800 CYS 393 SG 0.0007 -0.0020 -0.0033 801 CYS 393 HG 0.0019 -0.0029 -0.0035 802 THR 394 N -0.0001 0.0004 -0.0072 803 THR 394 HN -0.0005 0.0002 -0.0063 804 THR 394 CA -0.0007 0.0013 -0.0085 805 THR 394 HA -0.0005 0.0015 -0.0092 806 THR 394 C -0.0021 0.0022 -0.0078 807 THR 394 O -0.0027 0.0022 -0.0069 808 THR 394 CB -0.0002 0.0013 -0.0093 809 THR 394 HB -0.0000 0.0009 -0.0086 810 THR 394 OG1 0.0011 0.0008 -0.0103 811 THR 394 HG1 0.0014 0.0007 -0.0108 812 THR 394 CG2 -0.0010 0.0024 -0.0103 813 THR 394 HG21 -0.0011 0.0029 -0.0111 814 THR 394 HG22 -0.0019 0.0028 -0.0097 815 THR 394 HG23 -0.0005 0.0023 -0.0110 816 LEU 395 N -0.0028 0.0030 -0.0083 817 LEU 395 HN -0.0024 0.0030 -0.0091 818 LEU 395 CA -0.0042 0.0038 -0.0077 819 LEU 395 HA -0.0042 0.0033 -0.0067 820 LEU 395 C -0.0051 0.0043 -0.0072 821 LEU 395 O -0.0055 0.0040 -0.0059 822 LEU 395 CB -0.0046 0.0046 -0.0087 823 LEU 395 HB2 -0.0045 0.0051 -0.0098 824 LEU 395 HB3 -0.0056 0.0052 -0.0083 825 LEU 395 CG -0.0039 0.0043 -0.0091 826 LEU 395 HG -0.0029 0.0037 -0.0096 827 LEU 395 CD1 -0.0044 0.0052 -0.0102 828 LEU 395 HD11 -0.0054 0.0058 -0.0097 829 LEU 395 HD12 -0.0043 0.0056 -0.0112 830 LEU 395 HD13 -0.0039 0.0049 -0.0105 831 LEU 395 CD2 -0.0040 0.0037 -0.0077 832 LEU 395 HD21 -0.0050 0.0042 -0.0071 833 LEU 395 HD22 -0.0035 0.0034 -0.0080 834 LEU 395 HD23 -0.0035 0.0030 -0.0070 835 ILE 396 N -0.0055 0.0051 -0.0082 836 ILE 396 HN -0.0051 0.0053 -0.0093 837 ILE 396 CA -0.0065 0.0058 -0.0080 838 ILE 396 HA -0.0074 0.0062 -0.0075 839 ILE 396 C -0.0065 0.0052 -0.0069 840 ILE 396 O -0.0075 0.0055 -0.0060 841 ILE 396 CB -0.0067 0.0066 -0.0094 842 ILE 396 HB -0.0059 0.0061 -0.0098 843 ILE 396 CG1 -0.0066 0.0071 -0.0107 844 ILE 396 HG12 -0.0056 0.0065 -0.0110 845 ILE 396 HG13 -0.0067 0.0076 -0.0116 846 ILE 396 CG2 -0.0079 0.0074 -0.0092 847 ILE 396 HG21 -0.0087 0.0079 -0.0088 848 ILE 396 HG22 -0.0078 0.0070 -0.0085 849 ILE 396 HG23 -0.0079 0.0080 -0.0103 850 ILE 396 CD1 -0.0076 0.0078 -0.0104 851 ILE 396 HD11 -0.0075 0.0073 -0.0095 852 ILE 396 HD12 -0.0086 0.0084 -0.0101 853 ILE 396 HD13 -0.0075 0.0081 -0.0114 854 GLU 397 N -0.0053 0.0043 -0.0068 855 GLU 397 HN -0.0046 0.0041 -0.0075 856 GLU 397 CA -0.0050 0.0037 -0.0059 857 GLU 397 HA -0.0059 0.0041 -0.0055 858 GLU 397 C -0.0048 0.0028 -0.0046 859 GLU 397 O -0.0046 0.0023 -0.0037 860 GLU 397 CB -0.0040 0.0033 -0.0067 861 GLU 397 HB2 -0.0033 0.0031 -0.0074 862 GLU 397 HB3 -0.0035 0.0026 -0.0060 863 GLU 397 CG -0.0044 0.0040 -0.0076 864 GLU 397 HG2 -0.0036 0.0037 -0.0084 865 GLU 397 HG3 -0.0051 0.0047 -0.0081 866 GLU 397 CD -0.0050 0.0039 -0.0066 867 GLU 397 OE1 -0.0061 0.0045 -0.0059 868 GLU 397 OE2 -0.0043 0.0034 -0.0066 869 ALA 398 N -0.0047 0.0027 -0.0043 870 ALA 398 HN -0.0048 0.0031 -0.0051 871 ALA 398 CA -0.0045 0.0019 -0.0031 872 ALA 398 HA -0.0036 0.0012 -0.0029 873 ALA 398 C -0.0055 0.0021 -0.0018 874 ALA 398 O -0.0066 0.0030 -0.0019 875 ALA 398 CB -0.0043 0.0019 -0.0032 876 ALA 398 HB1 -0.0052 0.0026 -0.0034 877 ALA 398 HB2 -0.0036 0.0017 -0.0041 878 ALA 398 HB3 -0.0041 0.0013 -0.0023 879 SER 399 N -0.0052 0.0013 -0.0007 880 SER 399 HN -0.0044 0.0006 -0.0007 881 SER 399 CA -0.0060 0.0013 0.0005 882 SER 399 HA -0.0055 0.0006 0.0013 883 SER 399 C -0.0065 0.0018 0.0004 884 SER 399 O -0.0067 0.0014 0.0014 885 SER 399 CB -0.0071 0.0019 0.0013 886 SER 399 HB2 -0.0078 0.0027 0.0006 887 SER 399 HB3 -0.0068 0.0015 0.0013 888 SER 399 OG -0.0077 0.0016 0.0026 889 SER 399 HG -0.0079 0.0018 0.0026 890 LEU 400 N -0.0068 0.0025 -0.0008 891 LEU 400 HN -0.0067 0.0028 -0.0015 892 LEU 400 CA -0.0072 0.0030 -0.0012 893 LEU 400 HA -0.0080 0.0033 -0.0003 894 LEU 400 C -0.0063 0.0024 -0.0011 895 LEU 400 O -0.0062 0.0027 -0.0020 896 LEU 400 CB -0.0075 0.0040 -0.0026 897 LEU 400 HB2 -0.0071 0.0039 -0.0032 898 LEU 400 HB3 -0.0072 0.0040 -0.0032 899 LEU 400 CG -0.0089 0.0050 -0.0025 900 LEU 400 HG -0.0093 0.0050 -0.0018 901 LEU 400 CD1 -0.0091 0.0059 -0.0039 902 LEU 400 HD11 -0.0087 0.0059 -0.0046 903 LEU 400 HD12 -0.0087 0.0057 -0.0044 904 LEU 400 HD13 -0.0101 0.0066 -0.0039 905 LEU 400 CD2 -0.0096 0.0052 -0.0017 906 LEU 400 HD21 -0.0093 0.0053 -0.0023 907 LEU 400 HD22 -0.0106 0.0060 -0.0017 908 LEU 400 HD23 -0.0096 0.0047 -0.0007 909 VAL 401 N -0.0056 0.0014 -0.0002 910 VAL 401 HN -0.0058 0.0012 0.0005 911 VAL 401 CA -0.0048 0.0006 0.0000 912 VAL 401 HA -0.0042 0.0006 -0.0009 913 VAL 401 C -0.0053 0.0008 0.0005 914 VAL 401 O -0.0047 0.0004 0.0002 915 VAL 401 CB -0.0041 -0.0004 0.0009 916 VAL 401 HB -0.0035 -0.0009 0.0010 917 VAL 401 CG1 -0.0048 -0.0006 0.0024 918 VAL 401 HG11 -0.0054 -0.0001 0.0024 919 VAL 401 HG12 -0.0042 -0.0013 0.0030 920 VAL 401 HG13 -0.0053 -0.0004 0.0029 921 VAL 401 CG2 -0.0034 -0.0008 0.0003 922 VAL 401 HG21 -0.0038 -0.0003 0.0003 923 VAL 401 HG22 -0.0029 -0.0006 -0.0008 924 VAL 401 HG23 -0.0027 -0.0016 0.0008 925 ASP 402 N -0.0064 0.0014 0.0012 926 ASP 402 HN -0.0068 0.0017 0.0014 927 ASP 402 CA -0.0071 0.0017 0.0017 928 ASP 402 HA -0.0065 0.0011 0.0022 929 ASP 402 C -0.0076 0.0026 0.0008 930 ASP 402 O -0.0066 0.0021 0.0002 931 ASP 402 CB -0.0080 0.0020 0.0029 932 ASP 402 HB2 -0.0086 0.0026 0.0026 933 ASP 402 HB3 -0.0077 0.0013 0.0036 934 ASP 402 CG -0.0087 0.0021 0.0038 935 ASP 402 OD1 -0.0081 0.0013 0.0043 936 ASP 402 OD2 -0.0097 0.0029 0.0038 937 LYS 403 N -0.0079 0.0030 -0.0004 938 LYS 403 HN -0.0072 0.0028 -0.0010 939 LYS 403 CA -0.0089 0.0038 -0.0006 940 LYS 403 HA -0.0096 0.0041 -0.0001 941 LYS 403 C -0.0088 0.0036 -0.0001 942 LYS 403 O -0.0096 0.0038 0.0006 943 LYS 403 CB -0.0088 0.0045 -0.0020 944 LYS 403 HB2 -0.0081 0.0042 -0.0025 945 LYS 403 HB3 -0.0096 0.0051 -0.0021 946 LYS 403 CG -0.0087 0.0048 -0.0027 947 LYS 403 HG2 -0.0089 0.0054 -0.0036 948 LYS 403 HG3 -0.0094 0.0051 -0.0023 949 LYS 403 CD -0.0076 0.0041 -0.0030 950 LYS 403 HD2 -0.0070 0.0038 -0.0033 951 LYS 403 HD3 -0.0076 0.0036 -0.0022 952 LYS 403 CE -0.0075 0.0045 -0.0041 953 LYS 403 HE2 -0.0082 0.0049 -0.0038 954 LYS 403 HE3 -0.0074 0.0050 -0.0049 955 LYS 403 NZ -0.0065 0.0038 -0.0042 956 LYS 403 HZ1 -0.0065 0.0034 -0.0034 957 LYS 403 HZ2 -0.0064 0.0041 -0.0049 958 LYS 403 HZ3 -0.0058 0.0035 -0.0045 959 ILE 404 N -0.0079 0.0030 -0.0005 960 ILE 404 HN -0.0073 0.0029 -0.0011 961 ILE 404 CA -0.0076 0.0026 -0.0002 962 ILE 404 HA -0.0084 0.0031 0.0001 963 ILE 404 C -0.0071 0.0017 0.0009 964 ILE 404 O -0.0064 0.0012 0.0009 965 ILE 404 CB -0.0068 0.0026 -0.0012 966 ILE 404 HB -0.0068 0.0024 -0.0009 967 ILE 404 CG1 -0.0056 0.0019 -0.0017 968 ILE 404 HG12 -0.0052 0.0012 -0.0010 969 ILE 404 HG13 -0.0052 0.0020 -0.0024 970 ILE 404 CG2 -0.0073 0.0035 -0.0023 971 ILE 404 HG21 -0.0074 0.0038 -0.0028 972 ILE 404 HG22 -0.0082 0.0040 -0.0020 973 ILE 404 HG23 -0.0068 0.0035 -0.0030 974 ILE 404 CD1 -0.0055 0.0020 -0.0022 975 ILE 404 HD11 -0.0057 0.0018 -0.0014 976 ILE 404 HD12 -0.0059 0.0027 -0.0028 977 ILE 404 HD13 -0.0046 0.0016 -0.0026 978 PHE 405 N -0.0070 0.0014 0.0018 979 PHE 405 HN -0.0076 0.0019 0.0018 980 PHE 405 CA -0.0067 0.0007 0.0030 981 PHE 405 HA -0.0066 0.0006 0.0031 982 PHE 405 C -0.0056 -0.0002 0.0031 983 PHE 405 O -0.0055 -0.0007 0.0041 984 PHE 405 CB -0.0077 0.0009 0.0041 985 PHE 405 HB2 -0.0079 0.0012 0.0040 986 PHE 405 HB3 -0.0074 0.0004 0.0050 987 PHE 405 CG -0.0087 0.0016 0.0042 988 PHE 405 CD1 -0.0096 0.0025 0.0039 989 PHE 405 HD1 -0.0096 0.0026 0.0036 990 PHE 405 CD2 -0.0086 0.0014 0.0046 991 PHE 405 HD2 -0.0079 0.0008 0.0049 992 PHE 405 CE1 -0.0105 0.0031 0.0040 993 PHE 405 HE1 -0.0112 0.0038 0.0037 994 PHE 405 CE2 -0.0095 0.0021 0.0047 995 PHE 405 HE2 -0.0094 0.0019 0.0049 996 PHE 405 CZ -0.0104 0.0029 0.0043 997 PHE 405 HZ -0.0111 0.0034 0.0043 998 TYR 406 N -0.0048 -0.0004 0.0021 999 TYR 406 HN -0.0049 0.0000 0.0014 1000 TYR 406 CA -0.0036 -0.0012 0.0020 1001 TYR 406 HA -0.0037 -0.0010 0.0017 1002 TYR 406 C -0.0032 -0.0020 0.0031 1003 TYR 406 O -0.0026 -0.0025 0.0033 1004 TYR 406 CB -0.0028 -0.0013 0.0009 1005 TYR 406 HB2 -0.0020 -0.0020 0.0009 1006 TYR 406 HB3 -0.0030 -0.0008 -0.0000 1007 TYR 406 CG -0.0028 -0.0013 0.0009 1008 TYR 406 CD1 -0.0024 -0.0020 0.0018 1009 TYR 406 HD1 -0.0020 -0.0026 0.0023 1010 TYR 406 CD2 -0.0034 -0.0006 0.0001 1011 TYR 406 HD2 -0.0037 -0.0000 -0.0005 1012 TYR 406 CE1 -0.0027 -0.0019 0.0020 1013 TYR 406 HE1 -0.0025 -0.0023 0.0027 1014 TYR 406 CE2 -0.0037 -0.0004 0.0003 1015 TYR 406 HE2 -0.0041 0.0002 -0.0002 1016 TYR 406 CZ -0.0034 -0.0011 0.0012 1017 TYR 406 OH -0.0037 -0.0009 0.0015 1018 TYR 406 HH -0.0040 -0.0004 0.0008 1019 ARG 407 N -0.0030 -0.0021 0.0040 1020 ARG 407 HN -0.0034 -0.0017 0.0038 1021 ARG 407 CA -0.0026 -0.0028 0.0052 1022 ARG 407 HA -0.0018 -0.0033 0.0049 1023 ARG 407 C -0.0031 -0.0027 0.0061 1024 ARG 407 O -0.0025 -0.0033 0.0067 1025 ARG 407 CB -0.0027 -0.0029 0.0058 1026 ARG 407 HB2 -0.0023 -0.0035 0.0066 1027 ARG 407 HB3 -0.0022 -0.0030 0.0051 1028 ARG 407 CG -0.0038 -0.0022 0.0063 1029 ARG 407 HG2 -0.0043 -0.0021 0.0070 1030 ARG 407 HG3 -0.0042 -0.0016 0.0055 1031 ARG 407 CD -0.0039 -0.0024 0.0070 1032 ARG 407 HD2 -0.0047 -0.0018 0.0071 1033 ARG 407 HD3 -0.0033 -0.0026 0.0064 1034 ARG 407 NE -0.0035 -0.0031 0.0082 1035 ARG 407 HE -0.0027 -0.0036 0.0082 1036 ARG 407 CZ -0.0041 -0.0030 0.0094 1037 ARG 407 NH1 -0.0052 -0.0022 0.0095 1038 ARG 407 HH11 -0.0055 -0.0017 0.0088 1039 ARG 407 HH12 -0.0056 -0.0022 0.0104 1040 ARG 407 NH2 -0.0037 -0.0036 0.0104 1041 ARG 407 HH21 -0.0029 -0.0042 0.0103 1042 ARG 407 HH22 -0.0042 -0.0036 0.0112 1043 ILE 408 N -0.0041 -0.0019 0.0062 1044 ILE 408 HN -0.0045 -0.0014 0.0056 1045 ILE 408 CA -0.0048 -0.0017 0.0071 1046 ILE 408 HA -0.0045 -0.0022 0.0080 1047 ILE 408 C -0.0045 -0.0019 0.0069 1048 ILE 408 O -0.0044 -0.0023 0.0078 1049 ILE 408 CB -0.0060 -0.0010 0.0075 1050 ILE 408 HB -0.0060 -0.0009 0.0073 1051 ILE 408 CG1 -0.0064 -0.0011 0.0089 1052 ILE 408 HG12 -0.0073 -0.0004 0.0090 1053 ILE 408 HG13 -0.0063 -0.0013 0.0092 1054 ILE 408 CG2 -0.0067 -0.0001 0.0066 1055 ILE 408 HG21 -0.0067 -0.0001 0.0067 1056 ILE 408 HG22 -0.0064 -0.0000 0.0056 1057 ILE 408 HG23 -0.0075 0.0004 0.0069 1058 ILE 408 CD1 -0.0061 -0.0016 0.0098 1059 ILE 408 HD11 -0.0062 -0.0014 0.0096 1060 ILE 408 HD12 -0.0052 -0.0023 0.0098 1061 ILE 408 HD13 -0.0065 -0.0017 0.0108 1062 PRO 409 N -0.0044 -0.0016 0.0058 1063 PRO 409 CA -0.0039 -0.0019 0.0056 1064 PRO 409 HA -0.0044 -0.0017 0.0064 1065 PRO 409 C -0.0026 -0.0028 0.0059 1066 PRO 409 O -0.0023 -0.0032 0.0065 1067 PRO 409 CB -0.0041 -0.0014 0.0041 1068 PRO 409 HB2 -0.0033 -0.0018 0.0035 1069 PRO 409 HB3 -0.0049 -0.0009 0.0041 1070 PRO 409 CG -0.0042 -0.0011 0.0033 1071 PRO 409 HG2 -0.0048 -0.0005 0.0024 1072 PRO 409 HG3 -0.0033 -0.0016 0.0028 1073 PRO 409 CD -0.0047 -0.0010 0.0044 1074 PRO 409 HD2 -0.0057 -0.0004 0.0045 1075 PRO 409 HD3 -0.0044 -0.0012 0.0042 1076 GLU 410 N -0.0018 -0.0033 0.0054 1077 GLU 410 HN -0.0021 -0.0030 0.0049 1078 GLU 410 CA -0.0005 -0.0042 0.0057 1079 GLU 410 HA -0.0001 -0.0044 0.0052 1080 GLU 410 C -0.0004 -0.0047 0.0072 1081 GLU 410 O 0.0001 -0.0051 0.0077 1082 GLU 410 CB 0.0001 -0.0045 0.0050 1083 GLU 410 HB2 -0.0002 -0.0040 0.0040 1084 GLU 410 HB3 -0.0000 -0.0046 0.0057 1085 GLU 410 CG 0.0015 -0.0053 0.0046 1086 GLU 410 HG2 0.0019 -0.0055 0.0043 1087 GLU 410 HG3 0.0017 -0.0052 0.0036 1088 GLU 410 CD 0.0022 -0.0061 0.0057 1089 GLU 410 OE1 0.0023 -0.0064 0.0069 1090 GLU 410 OE2 0.0028 -0.0064 0.0054 1091 ILE 411 N -0.0008 -0.0044 0.0081 1092 ILE 411 HN -0.0012 -0.0040 0.0077 1093 ILE 411 CA -0.0009 -0.0048 0.0095 1094 ILE 411 HA 0.0000 -0.0054 0.0096 1095 ILE 411 C -0.0013 -0.0046 0.0102 1096 ILE 411 O -0.0010 -0.0052 0.0113 1097 ILE 411 CB -0.0014 -0.0046 0.0102 1098 ILE 411 HB -0.0010 -0.0047 0.0096 1099 ILE 411 CG1 -0.0010 -0.0053 0.0117 1100 ILE 411 HG12 -0.0014 -0.0052 0.0123 1101 ILE 411 HG13 -0.0001 -0.0059 0.0115 1102 ILE 411 CG2 -0.0027 -0.0037 0.0103 1103 ILE 411 HG21 -0.0031 -0.0035 0.0110 1104 ILE 411 HG22 -0.0029 -0.0032 0.0093 1105 ILE 411 HG23 -0.0030 -0.0035 0.0106 1106 ILE 411 CD1 -0.0013 -0.0053 0.0123 1107 ILE 411 HD11 -0.0022 -0.0046 0.0125 1108 ILE 411 HD12 -0.0009 -0.0054 0.0117 1109 ILE 411 HD13 -0.0010 -0.0058 0.0133 1110 LEU 412 N -0.0021 -0.0039 0.0097 1111 LEU 412 HN -0.0024 -0.0035 0.0089 1112 LEU 412 CA -0.0026 -0.0037 0.0101 1113 LEU 412 HA -0.0028 -0.0039 0.0112 1114 LEU 412 C -0.0018 -0.0041 0.0097 1115 LEU 412 O -0.0015 -0.0046 0.0106 1116 LEU 412 CB -0.0038 -0.0027 0.0096 1117 LEU 412 HB2 -0.0042 -0.0024 0.0094 1118 LEU 412 HB3 -0.0037 -0.0025 0.0086 1119 LEU 412 CG -0.0047 -0.0023 0.0106 1120 LEU 412 HG -0.0044 -0.0027 0.0109 1121 LEU 412 CD1 -0.0052 -0.0023 0.0119 1122 LEU 412 HD11 -0.0055 -0.0020 0.0116 1123 LEU 412 HD12 -0.0045 -0.0030 0.0124 1124 LEU 412 HD13 -0.0058 -0.0021 0.0125 1125 LEU 412 CD2 -0.0057 -0.0014 0.0099 1126 LEU 412 HD21 -0.0060 -0.0010 0.0093 1127 LEU 412 HD22 -0.0065 -0.0011 0.0106 1128 LEU 412 HD23 -0.0054 -0.0014 0.0092 1129 ALA 413 N -0.0014 -0.0039 0.0087 1130 ALA 413 HN -0.0017 -0.0035 0.0079 1131 ALA 413 CA -0.0007 -0.0042 0.0081 1132 ALA 413 HA -0.0012 -0.0039 0.0083 1133 ALA 413 C 0.0005 -0.0051 0.0086 1134 ALA 413 O 0.0007 -0.0054 0.0092 1135 ALA 413 CB -0.0006 -0.0040 0.0064 1136 ALA 413 HB1 -0.0001 -0.0042 0.0061 1137 ALA 413 HB2 -0.0015 -0.0033 0.0061 1138 ALA 413 HB3 -0.0001 -0.0042 0.0060 1139 HIS 414 N 0.0012 -0.0056 0.0085 1140 HIS 414 HN 0.0009 -0.0053 0.0080 1141 HIS 414 CA 0.0023 -0.0065 0.0089 1142 HIS 414 HA 0.0029 -0.0068 0.0084 1143 HIS 414 C 0.0023 -0.0068 0.0105 1144 HIS 414 O 0.0033 -0.0076 0.0110 1145 HIS 414 CB 0.0027 -0.0066 0.0085 1146 HIS 414 HB2 0.0021 -0.0063 0.0091 1147 HIS 414 HB3 0.0025 -0.0062 0.0074 1148 HIS 414 CG 0.0039 -0.0074 0.0084 1149 HIS 414 ND1 0.0041 -0.0075 0.0082 1150 HIS 414 HD1 0.0034 -0.0069 0.0078 1151 HIS 414 CD2 0.0050 -0.0080 0.0079 1152 HIS 414 HD2 0.0052 -0.0081 0.0077 1153 HIS 414 CE1 0.0051 -0.0081 0.0076 1154 HIS 414 HE1 0.0055 -0.0083 0.0073 1155 HIS 414 NE2 0.0057 -0.0085 0.0074 1156 HIS 414 HE2 0.0065 -0.0088 0.0067 1157 HIS 415 N 0.0014 -0.0062 0.0115 1158 HIS 415 HN 0.0006 -0.0056 0.0111 1159 HIS 415 CA 0.0013 -0.0065 0.0130 1160 HIS 415 HA 0.0022 -0.0071 0.0133 1161 HIS 415 C 0.0006 -0.0061 0.0137 1162 HIS 415 O 0.0010 -0.0066 0.0148 1163 HIS 415 CB 0.0009 -0.0063 0.0137 1164 HIS 415 HB2 0.0009 -0.0065 0.0148 1165 HIS 415 HB3 -0.0000 -0.0057 0.0134 1166 HIS 415 CG 0.0017 -0.0067 0.0132 1167 HIS 415 ND1 0.0013 -0.0066 0.0136 1168 HIS 415 HD1 0.0006 -0.0062 0.0141 1169 HIS 415 CD2 0.0027 -0.0073 0.0124 1170 HIS 415 HD2 0.0033 -0.0076 0.0120 1171 HIS 415 CE1 0.0022 -0.0071 0.0131 1172 HIS 415 HE1 0.0022 -0.0071 0.0132 1173 HIS 415 NE2 0.0030 -0.0075 0.0124 1174 HIS 415 HE2 0.0037 -0.0079 0.0118 1175 GLN 416 N -0.0004 -0.0053 0.0133 1176 GLN 416 HN -0.0007 -0.0050 0.0125 1177 GLN 416 CA -0.0011 -0.0050 0.0138 1178 GLN 416 HA -0.0008 -0.0054 0.0148 1179 GLN 416 C -0.0010 -0.0049 0.0129 1180 GLN 416 O -0.0006 -0.0053 0.0133 1181 GLN 416 CB -0.0024 -0.0042 0.0144 1182 GLN 416 HB2 -0.0029 -0.0040 0.0148 1183 GLN 416 HB3 -0.0024 -0.0044 0.0152 1184 GLN 416 CG -0.0032 -0.0035 0.0134 1185 GLN 416 HG2 -0.0033 -0.0032 0.0125 1186 GLN 416 HG3 -0.0028 -0.0036 0.0130 1187 GLN 416 CD -0.0045 -0.0027 0.0140 1188 GLN 416 OE1 -0.0053 -0.0020 0.0135 1189 GLN 416 NE2 -0.0046 -0.0028 0.0151 1190 GLN 416 HE21 -0.0055 -0.0024 0.0155 1191 GLN 416 HE22 -0.0039 -0.0034 0.0155 1192 VAL 417 N -0.0013 -0.0043 0.0117 1193 VAL 417 HN -0.0015 -0.0041 0.0114 1194 VAL 417 CA -0.0015 -0.0040 0.0108 1195 VAL 417 HA -0.0022 -0.0037 0.0114 1196 VAL 417 C -0.0003 -0.0047 0.0105 1197 VAL 417 O -0.0004 -0.0047 0.0109 1198 VAL 417 CB -0.0021 -0.0034 0.0094 1199 VAL 417 HB -0.0014 -0.0037 0.0086 1200 VAL 417 CG1 -0.0032 -0.0027 0.0096 1201 VAL 417 HG11 -0.0039 -0.0024 0.0104 1202 VAL 417 HG12 -0.0036 -0.0023 0.0086 1203 VAL 417 HG13 -0.0029 -0.0030 0.0100 1204 VAL 417 CG2 -0.0026 -0.0029 0.0086 1205 VAL 417 HG21 -0.0033 -0.0026 0.0094 1206 VAL 417 HG22 -0.0018 -0.0034 0.0084 1207 VAL 417 HG23 -0.0030 -0.0025 0.0076 1208 LEU 418 N 0.0007 -0.0052 0.0098 1209 LEU 418 HN 0.0007 -0.0052 0.0095 1210 LEU 418 CA 0.0019 -0.0060 0.0095 1211 LEU 418 HA 0.0018 -0.0058 0.0087 1212 LEU 418 C 0.0023 -0.0065 0.0109 1213 LEU 418 O 0.0026 -0.0066 0.0108 1214 LEU 418 CB 0.0029 -0.0065 0.0089 1215 LEU 418 HB2 0.0026 -0.0061 0.0079 1216 LEU 418 HB3 0.0029 -0.0066 0.0097 1217 LEU 418 CG 0.0043 -0.0073 0.0086 1218 LEU 418 HG 0.0046 -0.0077 0.0096 1219 LEU 418 CD1 0.0045 -0.0072 0.0074 1220 LEU 418 HD11 0.0043 -0.0069 0.0063 1221 LEU 418 HD12 0.0039 -0.0069 0.0077 1222 LEU 418 HD13 0.0055 -0.0078 0.0073 1223 LEU 418 CD2 0.0052 -0.0078 0.0082 1224 LEU 418 HD21 0.0049 -0.0074 0.0071 1225 LEU 418 HD22 0.0061 -0.0084 0.0080 1226 LEU 418 HD23 0.0051 -0.0079 0.0090 1227 LEU 419 N 0.0024 -0.0065 0.0124 1228 LEU 419 HN 0.0021 -0.0064 0.0124 1229 LEU 419 CA 0.0027 -0.0070 0.0138 1230 LEU 419 HA 0.0036 -0.0076 0.0137 1231 LEU 419 C 0.0018 -0.0065 0.0144 1232 LEU 419 O 0.0024 -0.0070 0.0149 1233 LEU 419 CB 0.0026 -0.0072 0.0150 1234 LEU 419 HB2 0.0017 -0.0066 0.0151 1235 LEU 419 HB3 0.0027 -0.0074 0.0161 1236 LEU 419 CG 0.0037 -0.0078 0.0149 1237 LEU 419 HG 0.0035 -0.0079 0.0158 1238 LEU 419 CD1 0.0050 -0.0087 0.0151 1239 LEU 419 HD11 0.0053 -0.0088 0.0142 1240 LEU 419 HD12 0.0050 -0.0089 0.0161 1241 LEU 419 HD13 0.0057 -0.0092 0.0151 1242 LEU 419 CD2 0.0037 -0.0076 0.0134 1243 LEU 419 HD21 0.0041 -0.0077 0.0124 1244 LEU 419 HD22 0.0044 -0.0080 0.0135 1245 LEU 419 HD23 0.0028 -0.0070 0.0133 1246 THR 420 N 0.0006 -0.0057 0.0143 1247 THR 420 HN 0.0002 -0.0054 0.0140 1248 THR 420 CA -0.0003 -0.0052 0.0146 1249 THR 420 HA -0.0002 -0.0054 0.0157 1250 THR 420 C 0.0001 -0.0052 0.0135 1251 THR 420 O 0.0004 -0.0055 0.0141 1252 THR 420 CB -0.0017 -0.0042 0.0144 1253 THR 420 HB -0.0019 -0.0039 0.0133 1254 THR 420 OG1 -0.0021 -0.0041 0.0153 1255 THR 420 HG1 -0.0029 -0.0035 0.0150 1256 THR 420 CG2 -0.0026 -0.0037 0.0150 1257 THR 420 HG21 -0.0025 -0.0040 0.0162 1258 THR 420 HG22 -0.0024 -0.0038 0.0143 1259 THR 420 HG23 -0.0036 -0.0031 0.0149 1260 THR 421 N 0.0002 -0.0050 0.0123 1261 THR 421 HN -0.0001 -0.0048 0.0118 1262 THR 421 CA 0.0006 -0.0051 0.0112 1263 THR 421 HA -0.0001 -0.0047 0.0114 1264 THR 421 C 0.0020 -0.0060 0.0114 1265 THR 421 O 0.0021 -0.0060 0.0112 1266 THR 421 CB 0.0005 -0.0048 0.0095 1267 THR 421 HB 0.0013 -0.0052 0.0092 1268 THR 421 OG1 -0.0008 -0.0040 0.0093 1269 THR 421 HG1 -0.0015 -0.0036 0.0100 1270 THR 421 CG2 0.0006 -0.0047 0.0083 1271 THR 421 HG21 -0.0002 -0.0042 0.0086 1272 THR 421 HG22 0.0016 -0.0053 0.0083 1273 THR 421 HG23 0.0005 -0.0044 0.0071 1274 LEU 422 N 0.0030 -0.0067 0.0118 1275 LEU 422 HN 0.0029 -0.0066 0.0117 1276 LEU 422 CA 0.0043 -0.0075 0.0123 1277 LEU 422 HA 0.0048 -0.0077 0.0113 1278 LEU 422 C 0.0042 -0.0077 0.0136 1279 LEU 422 O 0.0050 -0.0082 0.0136 1280 LEU 422 CB 0.0053 -0.0082 0.0128 1281 LEU 422 HB2 0.0047 -0.0080 0.0137 1282 LEU 422 HB3 0.0061 -0.0088 0.0133 1283 LEU 422 CG 0.0059 -0.0084 0.0115 1284 LEU 422 HG 0.0051 -0.0078 0.0112 1285 LEU 422 CD1 0.0069 -0.0091 0.0123 1286 LEU 422 HD11 0.0078 -0.0097 0.0125 1287 LEU 422 HD12 0.0065 -0.0090 0.0133 1288 LEU 422 HD13 0.0073 -0.0092 0.0114 1289 LEU 422 CD2 0.0064 -0.0084 0.0100 1290 LEU 422 HD21 0.0072 -0.0089 0.0102 1291 LEU 422 HD22 0.0070 -0.0086 0.0092 1292 LEU 422 HD23 0.0056 -0.0078 0.0094 1293 SER 423 N 0.0034 -0.0070 0.0151 1294 SER 423 HN 0.0028 -0.0066 0.0151 1295 SER 423 CA 0.0032 -0.0071 0.0164 1296 SER 423 HA 0.0041 -0.0077 0.0170 1297 SER 423 C 0.0030 -0.0069 0.0159 1298 SER 423 O 0.0038 -0.0074 0.0162 1299 SER 423 CB 0.0021 -0.0065 0.0177 1300 SER 423 HB2 0.0023 -0.0067 0.0180 1301 SER 423 HB3 0.0021 -0.0067 0.0187 1302 SER 423 OG 0.0007 -0.0056 0.0172 1303 SER 423 HG 0.0007 -0.0055 0.0163 1304 GLN 424 N 0.0018 -0.0061 0.0152 1305 GLN 424 HN 0.0012 -0.0056 0.0151 1306 GLN 424 CA 0.0013 -0.0057 0.0147 1307 GLN 424 HA 0.0013 -0.0058 0.0157 1308 GLN 424 C 0.0022 -0.0060 0.0134 1309 GLN 424 O 0.0018 -0.0057 0.0128 1310 GLN 424 CB -0.0001 -0.0047 0.0142 1311 GLN 424 HB2 -0.0000 -0.0046 0.0131 1312 GLN 424 HB3 -0.0005 -0.0044 0.0139 1313 GLN 424 CG -0.0012 -0.0042 0.0153 1314 GLN 424 HG2 -0.0021 -0.0035 0.0148 1315 GLN 424 HG3 -0.0009 -0.0044 0.0154 1316 GLN 424 CD -0.0013 -0.0043 0.0169 1317 GLN 424 OE1 -0.0018 -0.0040 0.0171 1318 GLN 424 NE2 -0.0009 -0.0047 0.0181 1319 GLN 424 HE21 -0.0010 -0.0048 0.0192 1320 GLN 424 HE22 -0.0005 -0.0050 0.0179 1321 ARG 425 N 0.0033 -0.0068 0.0130 1322 ARG 425 HN 0.0035 -0.0070 0.0134 1323 ARG 425 CA 0.0043 -0.0073 0.0118 1324 ARG 425 HA 0.0040 -0.0069 0.0106 1325 ARG 425 C 0.0047 -0.0075 0.0121 1326 ARG 425 O 0.0046 -0.0073 0.0110 1327 ARG 425 CB 0.0058 -0.0081 0.0118 1328 ARG 425 HB2 0.0060 -0.0084 0.0131 1329 ARG 425 HB3 0.0066 -0.0086 0.0113 1330 ARG 425 CG 0.0059 -0.0081 0.0108 1331 ARG 425 HG2 0.0050 -0.0076 0.0112 1332 ARG 425 HG3 0.0058 -0.0078 0.0095 1333 ARG 425 CD 0.0072 -0.0089 0.0111 1334 ARG 425 HD2 0.0073 -0.0092 0.0124 1335 ARG 425 HD3 0.0072 -0.0088 0.0104 1336 ARG 425 NE 0.0085 -0.0096 0.0104 1337 ARG 425 HE 0.0085 -0.0094 0.0092 1338 ARG 425 CZ 0.0095 -0.0103 0.0113 1339 ARG 425 NH1 0.0095 -0.0106 0.0129 1340 ARG 425 HH11 0.0087 -0.0102 0.0135 1341 ARG 425 HH12 0.0103 -0.0111 0.0135 1342 ARG 425 NH2 0.0106 -0.0109 0.0104 1343 ARG 425 HH21 0.0106 -0.0107 0.0092 1344 ARG 425 HH22 0.0114 -0.0114 0.0110 1345 ILE 426 N 0.0051 -0.0080 0.0136 1346 ILE 426 HN 0.0050 -0.0080 0.0144 1347 ILE 426 CA 0.0059 -0.0085 0.0140 1348 ILE 426 HA 0.0059 -0.0084 0.0130 1349 ILE 426 C 0.0053 -0.0084 0.0155 1350 ILE 426 O 0.0056 -0.0086 0.0156 1351 ILE 426 CB 0.0075 -0.0095 0.0140 1352 ILE 426 HB 0.0077 -0.0095 0.0129 1353 ILE 426 CG1 0.0085 -0.0101 0.0139 1354 ILE 426 HG12 0.0084 -0.0102 0.0151 1355 ILE 426 HG13 0.0081 -0.0097 0.0130 1356 ILE 426 CG2 0.0077 -0.0098 0.0154 1357 ILE 426 HG21 0.0075 -0.0099 0.0166 1358 ILE 426 HG22 0.0070 -0.0094 0.0154 1359 ILE 426 HG23 0.0088 -0.0105 0.0154 1360 ILE 426 CD1 0.0100 -0.0110 0.0134 1361 ILE 426 HD11 0.0105 -0.0114 0.0144 1362 ILE 426 HD12 0.0102 -0.0109 0.0123 1363 ILE 426 HD13 0.0107 -0.0113 0.0133 1364 ASP 427 N 0.0048 -0.0079 0.0168 1365 ASP 427 HN 0.0046 -0.0078 0.0166 1366 ASP 427 CA 0.0041 -0.0076 0.0183 1367 ASP 427 HA 0.0049 -0.0083 0.0192 1368 ASP 427 C 0.0032 -0.0070 0.0183 1369 ASP 427 O 0.0030 -0.0068 0.0170 1370 ASP 427 CB 0.0032 -0.0072 0.0191 1371 ASP 427 HB2 0.0025 -0.0066 0.0181 1372 ASP 427 HB3 0.0040 -0.0077 0.0194 1373 ASP 427 CG 0.0023 -0.0067 0.0206 1374 ASP 427 OD1 0.0029 -0.0072 0.0219 1375 ASP 427 OD2 0.0010 -0.0058 0.0206 1376 GLN 428 N 0.0025 -0.0068 0.0198 1377 GLN 428 HN 0.0028 -0.0070 0.0208 1378 GLN 428 CA 0.0014 -0.0061 0.0202 1379 GLN 428 HA 0.0017 -0.0062 0.0197 1380 GLN 428 C -0.0000 -0.0051 0.0193 1381 GLN 428 O -0.0006 -0.0046 0.0184 1382 GLN 428 CB 0.0010 -0.0060 0.0222 1383 GLN 428 HB2 0.0020 -0.0067 0.0227 1384 GLN 428 HB3 0.0008 -0.0060 0.0226 1385 GLN 428 CG -0.0002 -0.0053 0.0228 1386 GLN 428 HG2 -0.0000 -0.0054 0.0224 1387 GLN 428 HG3 -0.0012 -0.0046 0.0222 1388 GLN 428 CD -0.0005 -0.0053 0.0247 1389 GLN 428 OE1 -0.0003 -0.0055 0.0256 1390 GLN 428 NE2 -0.0011 -0.0050 0.0253 1391 GLN 428 HE21 -0.0013 -0.0050 0.0266 1392 GLN 428 HE22 -0.0013 -0.0048 0.0246 1393 TRP 429 N -0.0005 -0.0047 0.0197 1394 TRP 429 HN 0.0001 -0.0051 0.0203 1395 TRP 429 CA -0.0018 -0.0038 0.0191 1396 TRP 429 HA -0.0026 -0.0033 0.0193 1397 TRP 429 C -0.0017 -0.0037 0.0172 1398 TRP 429 O -0.0025 -0.0031 0.0163 1399 TRP 429 CB -0.0023 -0.0036 0.0201 1400 TRP 429 HB2 -0.0015 -0.0041 0.0198 1401 TRP 429 HB3 -0.0033 -0.0029 0.0196 1402 TRP 429 CG -0.0024 -0.0037 0.0220 1403 TRP 429 CD1 -0.0015 -0.0043 0.0232 1404 TRP 429 HD1 -0.0005 -0.0049 0.0229 1405 TRP 429 CD2 -0.0036 -0.0030 0.0228 1406 TRP 429 NE1 -0.0021 -0.0041 0.0247 1407 TRP 429 HE1 -0.0016 -0.0045 0.0258 1408 TRP 429 CE2 -0.0034 -0.0033 0.0245 1409 TRP 429 CE3 -0.0049 -0.0021 0.0222 1410 TRP 429 HE3 -0.0051 -0.0019 0.0209 1411 TRP 429 CZ2 -0.0043 -0.0028 0.0257 1412 TRP 429 HZ2 -0.0041 -0.0030 0.0271 1413 TRP 429 CZ3 -0.0058 -0.0016 0.0234 1414 TRP 429 HZ3 -0.0068 -0.0010 0.0230 1415 TRP 429 CH2 -0.0056 -0.0020 0.0252 1416 TRP 429 HH2 -0.0063 -0.0015 0.0261 1417 HIS 430 N -0.0007 -0.0043 0.0165 1418 HIS 430 HN -0.0002 -0.0047 0.0174 1419 HIS 430 CA 0.0000 -0.0046 0.0149 1420 HIS 430 HA 0.0009 -0.0052 0.0149 1421 HIS 430 C -0.0009 -0.0039 0.0134 1422 HIS 430 O -0.0018 -0.0033 0.0135 1423 HIS 430 CB 0.0007 -0.0050 0.0148 1424 HIS 430 HB2 -0.0002 -0.0044 0.0145 1425 HIS 430 HB3 0.0010 -0.0053 0.0161 1426 HIS 430 CG 0.0020 -0.0057 0.0137 1427 HIS 430 ND1 0.0026 -0.0060 0.0124 1428 HIS 430 HD1 0.0024 -0.0059 0.0123 1429 HIS 430 CD2 0.0028 -0.0063 0.0137 1430 HIS 430 HD2 0.0028 -0.0064 0.0147 1431 HIS 430 CE1 0.0037 -0.0067 0.0117 1432 HIS 430 HE1 0.0044 -0.0070 0.0108 1433 HIS 430 NE2 0.0039 -0.0069 0.0125 1434 HIS 430 HE2 0.0048 -0.0074 0.0125 1435 LYS 431 N -0.0003 -0.0039 0.0120 1436 LYS 431 HN 0.0005 -0.0044 0.0119 1437 LYS 431 CA -0.0010 -0.0033 0.0104 1438 LYS 431 HA -0.0010 -0.0033 0.0100 1439 LYS 431 C -0.0026 -0.0024 0.0105 1440 LYS 431 O -0.0033 -0.0018 0.0094 1441 LYS 431 CB -0.0002 -0.0037 0.0091 1442 LYS 431 HB2 -0.0008 -0.0033 0.0079 1443 LYS 431 HB3 0.0008 -0.0043 0.0087 1444 LYS 431 CG 0.0003 -0.0041 0.0095 1445 LYS 431 HG2 0.0011 -0.0045 0.0085 1446 LYS 431 HG3 0.0009 -0.0045 0.0107 1447 LYS 431 CD -0.0008 -0.0034 0.0097 1448 LYS 431 HD2 -0.0011 -0.0031 0.0084 1449 LYS 431 HD3 -0.0018 -0.0028 0.0103 1450 LYS 431 CE -0.0004 -0.0037 0.0106 1451 LYS 431 HE2 0.0007 -0.0043 0.0102 1452 LYS 431 HE3 -0.0011 -0.0032 0.0103 1453 LYS 431 NZ -0.0006 -0.0037 0.0124 1454 LYS 431 HZ1 0.0001 -0.0041 0.0128 1455 LYS 431 HZ2 -0.0004 -0.0039 0.0130 1456 LYS 431 HZ3 -0.0016 -0.0031 0.0126 1457 ASP 432 N -0.0031 -0.0021 0.0118 1458 ASP 432 HN -0.0025 -0.0026 0.0126 1459 ASP 432 CA -0.0046 -0.0013 0.0123 1460 ASP 432 HA -0.0051 -0.0009 0.0113 1461 ASP 432 C -0.0052 -0.0009 0.0128 1462 ASP 432 O -0.0062 -0.0002 0.0120 1463 ASP 432 CB -0.0047 -0.0013 0.0138 1464 ASP 432 HB2 -0.0058 -0.0006 0.0143 1465 ASP 432 HB3 -0.0041 -0.0017 0.0148 1466 ASP 432 CG -0.0043 -0.0015 0.0135 1467 ASP 432 OD1 -0.0052 -0.0010 0.0140 1468 ASP 432 OD2 -0.0031 -0.0022 0.0128 1469 ALA 433 N -0.0048 -0.0014 0.0138 1470 ALA 433 HN -0.0039 -0.0019 0.0144 1471 ALA 433 CA -0.0052 -0.0012 0.0145 1472 ALA 433 HA -0.0063 -0.0005 0.0149 1473 ALA 433 C -0.0051 -0.0011 0.0134 1474 ALA 433 O -0.0062 -0.0005 0.0133 1475 ALA 433 CB -0.0044 -0.0018 0.0161 1476 ALA 433 HB1 -0.0032 -0.0024 0.0158 1477 ALA 433 HB2 -0.0046 -0.0017 0.0170 1478 ALA 433 HB3 -0.0047 -0.0016 0.0166 1479 ILE 434 N -0.0039 -0.0018 0.0125 1480 ILE 434 HN -0.0031 -0.0023 0.0126 1481 ILE 434 CA -0.0035 -0.0020 0.0115 1482 ILE 434 HA -0.0028 -0.0025 0.0123 1483 ILE 434 C -0.0046 -0.0013 0.0113 1484 ILE 434 O -0.0046 -0.0013 0.0121 1485 ILE 434 CB -0.0026 -0.0024 0.0099 1486 ILE 434 HB -0.0025 -0.0024 0.0093 1487 ILE 434 CG1 -0.0033 -0.0019 0.0087 1488 ILE 434 HG12 -0.0037 -0.0017 0.0094 1489 ILE 434 HG13 -0.0042 -0.0014 0.0082 1490 ILE 434 CG2 -0.0011 -0.0033 0.0103 1491 ILE 434 HG21 -0.0011 -0.0034 0.0111 1492 ILE 434 HG22 -0.0006 -0.0037 0.0110 1493 ILE 434 HG23 -0.0004 -0.0036 0.0092 1494 ILE 434 CD1 -0.0024 -0.0023 0.0072 1495 ILE 434 HD11 -0.0015 -0.0029 0.0076 1496 ILE 434 HD12 -0.0020 -0.0025 0.0065 1497 ILE 434 HD13 -0.0031 -0.0019 0.0064 1498 LEU 435 N -0.0054 -0.0005 0.0101 1499 LEU 435 HN -0.0052 -0.0006 0.0095 1500 LEU 435 CA -0.0068 0.0003 0.0100 1501 LEU 435 HA -0.0068 0.0004 0.0089 1502 LEU 435 C -0.0073 0.0005 0.0112 1503 LEU 435 O -0.0074 0.0006 0.0109 1504 LEU 435 CB -0.0077 0.0009 0.0099 1505 LEU 435 HB2 -0.0074 0.0007 0.0108 1506 LEU 435 HB3 -0.0087 0.0015 0.0101 1507 LEU 435 CG -0.0077 0.0010 0.0083 1508 LEU 435 HG -0.0082 0.0012 0.0087 1509 LEU 435 CD1 -0.0085 0.0016 0.0071 1510 LEU 435 HD11 -0.0080 0.0013 0.0067 1511 LEU 435 HD12 -0.0095 0.0021 0.0075 1512 LEU 435 HD13 -0.0086 0.0017 0.0061 1513 LEU 435 CD2 -0.0063 0.0002 0.0077 1514 LEU 435 HD21 -0.0057 -0.0001 0.0072 1515 LEU 435 HD22 -0.0065 0.0004 0.0067 1516 LEU 435 HD23 -0.0057 -0.0002 0.0086 1517 GLY 436 N -0.0074 0.0005 0.0127 1518 GLY 436 HN -0.0072 0.0003 0.0129 1519 GLY 436 CA -0.0078 0.0006 0.0141 1520 GLY 436 HA2 -0.0089 0.0012 0.0142 1521 GLY 436 HA3 -0.0074 0.0003 0.0151 1522 GLY 436 C -0.0073 0.0003 0.0142 1523 GLY 436 O -0.0081 0.0007 0.0147 1524 ASP 437 N -0.0060 -0.0007 0.0133 1525 ASP 437 HN -0.0054 -0.0010 0.0129 1526 ASP 437 CA -0.0054 -0.0010 0.0130 1527 ASP 437 HA -0.0051 -0.0013 0.0140 1528 ASP 437 C -0.0064 -0.0003 0.0123 1529 ASP 437 O -0.0066 -0.0002 0.0129 1530 ASP 437 CB -0.0042 -0.0016 0.0119 1531 ASP 437 HB2 -0.0045 -0.0013 0.0108 1532 ASP 437 HB3 -0.0036 -0.0021 0.0124 1533 ASP 437 CG -0.0032 -0.0022 0.0114 1534 ASP 437 OD1 -0.0035 -0.0021 0.0119 1535 ASP 437 OD2 -0.0022 -0.0027 0.0106 1536 VAL 438 N -0.0070 0.0002 0.0111 1537 VAL 438 HN -0.0068 0.0002 0.0107 1538 VAL 438 CA -0.0079 0.0010 0.0102 1539 VAL 438 HA -0.0076 0.0008 0.0101 1540 VAL 438 C -0.0093 0.0017 0.0111 1541 VAL 438 O -0.0100 0.0022 0.0107 1542 VAL 438 CB -0.0080 0.0012 0.0086 1543 VAL 438 HB -0.0082 0.0013 0.0088 1544 VAL 438 CG1 -0.0066 0.0004 0.0077 1545 VAL 438 HG11 -0.0062 0.0002 0.0076 1546 VAL 438 HG12 -0.0066 0.0006 0.0065 1547 VAL 438 HG13 -0.0059 -0.0001 0.0083 1548 VAL 438 CG2 -0.0090 0.0020 0.0076 1549 VAL 438 HG21 -0.0089 0.0019 0.0075 1550 VAL 438 HG22 -0.0100 0.0025 0.0081 1551 VAL 438 HG23 -0.0089 0.0021 0.0064 1552 LEU 439 N -0.0096 0.0018 0.0121 1553 LEU 439 HN -0.0090 0.0014 0.0124 1554 LEU 439 CA -0.0108 0.0024 0.0132 1555 LEU 439 HA -0.0116 0.0030 0.0125 1556 LEU 439 C -0.0106 0.0022 0.0143 1557 LEU 439 O -0.0115 0.0027 0.0145 1558 LEU 439 CB -0.0113 0.0026 0.0141 1559 LEU 439 HB2 -0.0115 0.0029 0.0132 1560 LEU 439 HB3 -0.0105 0.0020 0.0147 1561 LEU 439 CG -0.0125 0.0032 0.0152 1562 LEU 439 HG -0.0123 0.0030 0.0161 1563 LEU 439 CD1 -0.0138 0.0041 0.0144 1564 LEU 439 HD11 -0.0140 0.0043 0.0135 1565 LEU 439 HD12 -0.0136 0.0040 0.0139 1566 LEU 439 HD13 -0.0146 0.0045 0.0152 1567 LEU 439 CD2 -0.0128 0.0033 0.0160 1568 LEU 439 HD21 -0.0130 0.0035 0.0152 1569 LEU 439 HD22 -0.0137 0.0037 0.0169 1570 LEU 439 HD23 -0.0119 0.0027 0.0167 1571 LEU 440 N -0.0094 0.0014 0.0150 1572 LEU 440 HN -0.0088 0.0010 0.0149 1573 LEU 440 CA -0.0090 0.0010 0.0159 1574 LEU 440 HA -0.0098 0.0014 0.0168 1575 LEU 440 C -0.0089 0.0011 0.0149 1576 LEU 440 O -0.0097 0.0015 0.0151 1577 LEU 440 CB -0.0078 0.0002 0.0168 1578 LEU 440 HB2 -0.0079 0.0002 0.0172 1579 LEU 440 HB3 -0.0069 -0.0003 0.0160 1580 LEU 440 CG -0.0075 -0.0001 0.0182 1581 LEU 440 HG -0.0084 0.0003 0.0189 1582 LEU 440 CD1 -0.0064 -0.0009 0.0191 1583 LEU 440 HD11 -0.0054 -0.0014 0.0184 1584 LEU 440 HD12 -0.0066 -0.0008 0.0194 1585 LEU 440 HD13 -0.0063 -0.0011 0.0202 1586 LEU 440 CD2 -0.0072 -0.0003 0.0178 1587 LEU 440 HD21 -0.0063 -0.0007 0.0170 1588 LEU 440 HD22 -0.0069 -0.0005 0.0188 1589 LEU 440 HD23 -0.0080 0.0003 0.0173 1590 ALA 441 N -0.0079 0.0005 0.0135 1591 ALA 441 HN -0.0073 0.0001 0.0133 1592 ALA 441 CA -0.0078 0.0005 0.0123 1593 ALA 441 HA -0.0079 0.0005 0.0130 1594 ALA 441 C -0.0088 0.0013 0.0111 1595 ALA 441 O -0.0086 0.0012 0.0097 1596 ALA 441 CB -0.0063 -0.0003 0.0116 1597 ALA 441 HB1 -0.0062 -0.0003 0.0110 1598 ALA 441 HB2 -0.0056 -0.0008 0.0125 1599 ALA 441 HB3 -0.0061 -0.0003 0.0108 1600 HIS 442 N -0.0101 0.0020 0.0117 1601 HIS 442 HN -0.0102 0.0019 0.0128 1602 HIS 442 CA -0.0113 0.0028 0.0108 1603 HIS 442 HA -0.0110 0.0027 0.0097 1604 HIS 442 C -0.0117 0.0031 0.0103 1605 HIS 442 O -0.0117 0.0032 0.0089 1606 HIS 442 CB -0.0125 0.0034 0.0115 1607 HIS 442 HB2 -0.0121 0.0032 0.0118 1608 HIS 442 HB3 -0.0132 0.0040 0.0106 1609 HIS 442 CG -0.0132 0.0037 0.0130 1610 HIS 442 ND1 -0.0144 0.0044 0.0130 1611 HIS 442 HD1 -0.0150 0.0049 0.0121 1612 HIS 442 CD2 -0.0127 0.0033 0.0144 1613 HIS 442 HD2 -0.0118 0.0027 0.0148 1614 HIS 442 CE1 -0.0147 0.0045 0.0145 1615 HIS 442 HE1 -0.0156 0.0050 0.0149 1616 HIS 442 NE2 -0.0137 0.0038 0.0153 1617 HIS 442 HE2 -0.0137 0.0037 0.0165 1618 PHE 443 N -0.0118 0.0029 0.0111 1619 PHE 443 HN -0.0119 0.0029 0.0121 1620 PHE 443 CA -0.0120 0.0030 0.0108 1621 PHE 443 HA -0.0126 0.0034 0.0099 1622 PHE 443 C -0.0108 0.0024 0.0102 1623 PHE 443 O -0.0108 0.0024 0.0092 1624 PHE 443 CB -0.0125 0.0033 0.0121 1625 PHE 443 HB2 -0.0133 0.0037 0.0125 1626 PHE 443 HB3 -0.0118 0.0029 0.0129 1627 PHE 443 CG -0.0130 0.0036 0.0116 1628 PHE 443 CD1 -0.0123 0.0032 0.0118 1629 PHE 443 HD1 -0.0114 0.0027 0.0123 1630 PHE 443 CD2 -0.0141 0.0042 0.0109 1631 PHE 443 HD2 -0.0146 0.0046 0.0108 1632 PHE 443 CE1 -0.0127 0.0034 0.0113 1633 PHE 443 HE1 -0.0121 0.0031 0.0115 1634 PHE 443 CE2 -0.0145 0.0045 0.0105 1635 PHE 443 HE2 -0.0153 0.0050 0.0099 1636 PHE 443 CZ -0.0138 0.0041 0.0106 1637 PHE 443 HZ -0.0141 0.0043 0.0103 1638 SER 444 N -0.0097 0.0017 0.0108 1639 SER 444 HN -0.0097 0.0017 0.0117 1640 SER 444 CA -0.0085 0.0010 0.0103 1641 SER 444 HA -0.0082 0.0009 0.0108 1642 SER 444 C -0.0083 0.0010 0.0087 1643 SER 444 O -0.0076 0.0006 0.0083 1644 SER 444 CB -0.0076 0.0005 0.0109 1645 SER 444 HB2 -0.0066 -0.0000 0.0104 1646 SER 444 HB3 -0.0079 0.0007 0.0105 1647 SER 444 OG -0.0075 0.0004 0.0123 1648 SER 444 HG -0.0067 -0.0001 0.0126 1649 LYS 445 N -0.0084 0.0016 0.0067 1650 LYS 445 HN -0.0089 0.0017 0.0072 1651 LYS 445 CA -0.0083 0.0017 0.0054 1652 LYS 445 HA -0.0075 0.0014 0.0052 1653 LYS 445 C -0.0091 0.0021 0.0047 1654 LYS 445 O -0.0089 0.0021 0.0037 1655 LYS 445 CB -0.0084 0.0018 0.0051 1656 LYS 445 HB2 -0.0092 0.0021 0.0055 1657 LYS 445 HB3 -0.0084 0.0019 0.0041 1658 LYS 445 CG -0.0074 0.0013 0.0055 1659 LYS 445 HG2 -0.0066 0.0010 0.0052 1660 LYS 445 HG3 -0.0074 0.0012 0.0065 1661 LYS 445 CD -0.0074 0.0013 0.0052 1662 LYS 445 HD2 -0.0075 0.0015 0.0042 1663 LYS 445 HD3 -0.0081 0.0016 0.0056 1664 LYS 445 CE -0.0063 0.0009 0.0055 1665 LYS 445 HE2 -0.0062 0.0007 0.0065 1666 LYS 445 HE3 -0.0056 0.0006 0.0050 1667 LYS 445 NZ -0.0064 0.0009 0.0051 1668 LYS 445 HZ1 -0.0070 0.0011 0.0056 1669 LYS 445 HZ2 -0.0056 0.0006 0.0052 1670 LYS 445 HZ3 -0.0065 0.0011 0.0042 1671 GLN 446 N -0.0101 0.0025 0.0052 1672 GLN 446 HN -0.0102 0.0024 0.0061 1673 GLN 446 CA -0.0111 0.0030 0.0047 1674 GLN 446 HA -0.0114 0.0032 0.0041 1675 GLN 446 C -0.0108 0.0029 0.0039 1676 GLN 446 O -0.0107 0.0030 0.0028 1677 GLN 446 CB -0.0121 0.0033 0.0056 1678 GLN 446 HB2 -0.0121 0.0032 0.0063 1679 GLN 446 HB3 -0.0119 0.0031 0.0062 1680 GLN 446 CG -0.0133 0.0038 0.0052 1681 GLN 446 HG2 -0.0138 0.0040 0.0060 1682 GLN 446 HG3 -0.0134 0.0040 0.0046 1683 GLN 446 CD -0.0135 0.0040 0.0047 1684 GLN 446 OE1 -0.0134 0.0039 0.0052 1685 GLN 446 NE2 -0.0139 0.0043 0.0035 1686 GLN 446 HE21 -0.0141 0.0044 0.0032 1687 GLN 446 HE22 -0.0140 0.0044 0.0031 1688 SER 447 N -0.0112 0.0030 0.0060 1689 SER 447 HN -0.0114 0.0029 0.0069 1690 SER 447 CA -0.0109 0.0029 0.0055 1691 SER 447 HA -0.0116 0.0034 0.0050 1692 SER 447 C -0.0098 0.0024 0.0045 1693 SER 447 O -0.0099 0.0027 0.0034 1694 SER 447 CB -0.0107 0.0025 0.0066 1695 SER 447 HB2 -0.0100 0.0020 0.0072 1696 SER 447 HB3 -0.0114 0.0029 0.0073 1697 SER 447 OG -0.0105 0.0025 0.0062 1698 SER 447 HG -0.0100 0.0023 0.0055 1699 MET 448 N -0.0089 0.0017 0.0049 1700 MET 448 HN -0.0090 0.0016 0.0057 1701 MET 448 CA -0.0078 0.0011 0.0042 1702 MET 448 HA -0.0074 0.0009 0.0042 1703 MET 448 C -0.0077 0.0014 0.0028 1704 MET 448 O -0.0070 0.0011 0.0020 1705 MET 448 CB -0.0072 0.0005 0.0050 1706 MET 448 HB2 -0.0064 0.0001 0.0044 1707 MET 448 HB3 -0.0077 0.0008 0.0052 1708 MET 448 CG -0.0068 0.0000 0.0063 1709 MET 448 HG2 -0.0061 -0.0004 0.0060 1710 MET 448 HG3 -0.0064 -0.0003 0.0067 1711 MET 448 SD -0.0079 0.0005 0.0075 1712 MET 448 CE -0.0071 -0.0004 0.0088 1713 MET 448 HE1 -0.0074 -0.0003 0.0094 1714 MET 448 HE2 -0.0062 -0.0009 0.0085 1715 MET 448 HE3 -0.0071 -0.0005 0.0095 1716 ILE 449 N -0.0086 0.0024 0.0012 1717 ILE 449 HN -0.0090 0.0025 0.0017 1718 ILE 449 CA -0.0087 0.0026 0.0003 1719 ILE 449 HA -0.0082 0.0025 -0.0002 1720 ILE 449 C -0.0094 0.0032 -0.0001 1721 ILE 449 O -0.0094 0.0034 -0.0008 1722 ILE 449 CB -0.0084 0.0025 0.0000 1723 ILE 449 HB -0.0078 0.0021 0.0003 1724 ILE 449 CG1 -0.0082 0.0026 -0.0010 1725 ILE 449 HG12 -0.0079 0.0025 -0.0013 1726 ILE 449 HG13 -0.0077 0.0023 -0.0010 1727 ILE 449 CG2 -0.0089 0.0027 0.0006 1728 ILE 449 HG21 -0.0095 0.0032 0.0003 1729 ILE 449 HG22 -0.0090 0.0026 0.0013 1730 ILE 449 HG23 -0.0087 0.0026 0.0004 1731 ILE 449 CD1 -0.0088 0.0032 -0.0016 1732 ILE 449 HD11 -0.0092 0.0035 -0.0016 1733 ILE 449 HD12 -0.0091 0.0033 -0.0013 1734 ILE 449 HD13 -0.0086 0.0032 -0.0023 1735 GLU 450 N -0.0101 0.0036 0.0005 1736 GLU 450 HN -0.0102 0.0034 0.0011 1737 GLU 450 CA -0.0109 0.0041 0.0002 1738 GLU 450 HA -0.0109 0.0043 -0.0005 1739 GLU 450 C -0.0111 0.0043 -0.0000 1740 GLU 450 O -0.0114 0.0047 -0.0006 1741 GLU 450 CB -0.0116 0.0044 0.0008 1742 GLU 450 HB2 -0.0114 0.0042 0.0011 1743 GLU 450 HB3 -0.0117 0.0044 0.0014 1744 GLU 450 CG -0.0123 0.0050 0.0004 1745 GLU 450 HG2 -0.0122 0.0050 -0.0001 1746 GLU 450 HG3 -0.0126 0.0052 0.0001 1747 GLU 450 CD -0.0130 0.0053 0.0011 1748 GLU 450 OE1 -0.0129 0.0050 0.0017 1749 GLU 450 OE2 -0.0137 0.0057 0.0010 1750 THR 451 N -0.0112 0.0040 0.0016 1751 THR 451 HN -0.0109 0.0036 0.0023 1752 THR 451 CA -0.0113 0.0042 0.0014 1753 THR 451 HA -0.0120 0.0048 0.0012 1754 THR 451 C -0.0105 0.0040 0.0005 1755 THR 451 O -0.0108 0.0044 -0.0002 1756 THR 451 CB -0.0114 0.0039 0.0025 1757 THR 451 HB -0.0107 0.0033 0.0028 1758 THR 451 OG1 -0.0121 0.0040 0.0034 1759 THR 451 HG1 -0.0127 0.0046 0.0031 1760 THR 451 CG2 -0.0118 0.0042 0.0023 1761 THR 451 HG21 -0.0124 0.0048 0.0020 1762 THR 451 HG22 -0.0112 0.0040 0.0017 1763 THR 451 HG23 -0.0119 0.0040 0.0031 1764 TYR 452 N -0.0096 0.0034 0.0004 1765 TYR 452 HN -0.0095 0.0031 0.0010 1766 TYR 452 CA -0.0088 0.0031 -0.0005 1767 TYR 452 HA -0.0086 0.0030 -0.0004 1768 TYR 452 C -0.0090 0.0037 -0.0016 1769 TYR 452 O -0.0089 0.0039 -0.0023 1770 TYR 452 CB -0.0079 0.0024 -0.0003 1771 TYR 452 HB2 -0.0079 0.0021 0.0006 1772 TYR 452 HB3 -0.0080 0.0026 -0.0005 1773 TYR 452 CG -0.0069 0.0020 -0.0009 1774 TYR 452 CD1 -0.0063 0.0013 -0.0003 1775 TYR 452 HD1 -0.0065 0.0011 0.0005 1776 TYR 452 CD2 -0.0066 0.0022 -0.0020 1777 TYR 452 HD2 -0.0070 0.0026 -0.0025 1778 TYR 452 CE1 -0.0053 0.0008 -0.0009 1779 TYR 452 HE1 -0.0048 0.0003 -0.0004 1780 TYR 452 CE2 -0.0056 0.0017 -0.0026 1781 TYR 452 HE2 -0.0054 0.0018 -0.0034 1782 TYR 452 CZ -0.0050 0.0010 -0.0020 1783 TYR 452 OH -0.0040 0.0005 -0.0025 1784 TYR 452 HH -0.0039 0.0007 -0.0032 1785 ILE 453 N -0.0103 0.0042 -0.0016 1786 ILE 453 HN -0.0103 0.0041 -0.0013 1787 ILE 453 CA -0.0104 0.0046 -0.0022 1788 ILE 453 HA -0.0100 0.0045 -0.0025 1789 ILE 453 C -0.0108 0.0050 -0.0023 1790 ILE 453 O -0.0107 0.0051 -0.0028 1791 ILE 453 CB -0.0105 0.0047 -0.0022 1792 ILE 453 HB -0.0102 0.0043 -0.0021 1793 ILE 453 CG1 -0.0104 0.0049 -0.0029 1794 ILE 453 HG12 -0.0100 0.0047 -0.0031 1795 ILE 453 HG13 -0.0103 0.0048 -0.0028 1796 ILE 453 CG2 -0.0110 0.0049 -0.0018 1797 ILE 453 HG21 -0.0113 0.0052 -0.0020 1798 ILE 453 HG22 -0.0110 0.0047 -0.0014 1799 ILE 453 HG23 -0.0110 0.0049 -0.0018 1800 ILE 453 CD1 -0.0108 0.0053 -0.0032 1801 ILE 453 HD11 -0.0108 0.0054 -0.0033 1802 ILE 453 HD12 -0.0111 0.0055 -0.0030 1803 ILE 453 HD13 -0.0106 0.0055 -0.0037 1804 SER 454 N -0.0113 0.0052 -0.0020 1805 SER 454 HN -0.0114 0.0051 -0.0016 1806 SER 454 CA -0.0117 0.0055 -0.0020 1807 SER 454 HA -0.0118 0.0058 -0.0023 1808 SER 454 C -0.0115 0.0055 -0.0022 1809 SER 454 O -0.0117 0.0058 -0.0025 1810 SER 454 CB -0.0121 0.0056 -0.0014 1811 SER 454 HB2 -0.0124 0.0058 -0.0014 1812 SER 454 HB3 -0.0120 0.0053 -0.0011 1813 SER 454 OG -0.0124 0.0058 -0.0014 1814 SER 454 HG -0.0128 0.0060 -0.0012 1815 PHE 455 N -0.0111 0.0057 -0.0021 1816 PHE 455 HN -0.0108 0.0053 -0.0016 1817 PHE 455 CA -0.0106 0.0056 -0.0025 1818 PHE 455 HA -0.0112 0.0060 -0.0027 1819 PHE 455 C -0.0097 0.0054 -0.0034 1820 PHE 455 O -0.0095 0.0055 -0.0038 1821 PHE 455 CB -0.0104 0.0050 -0.0016 1822 PHE 455 HB2 -0.0100 0.0046 -0.0011 1823 PHE 455 HB3 -0.0099 0.0048 -0.0018 1824 PHE 455 CG -0.0113 0.0052 -0.0009 1825 PHE 455 CD1 -0.0117 0.0057 -0.0012 1826 PHE 455 HD1 -0.0115 0.0059 -0.0020 1827 PHE 455 CD2 -0.0116 0.0050 0.0001 1828 PHE 455 HD2 -0.0113 0.0047 0.0004 1829 PHE 455 CE1 -0.0125 0.0059 -0.0006 1830 PHE 455 HE1 -0.0129 0.0062 -0.0009 1831 PHE 455 CE2 -0.0124 0.0052 0.0007 1832 PHE 455 HE2 -0.0127 0.0050 0.0015 1833 PHE 455 CZ -0.0129 0.0057 0.0004 1834 PHE 455 HZ -0.0135 0.0058 0.0009 1835 VAL 456 N -0.0093 0.0053 -0.0037 1836 VAL 456 HN -0.0096 0.0053 -0.0033 1837 VAL 456 CA -0.0084 0.0052 -0.0045 1838 VAL 456 HA -0.0079 0.0048 -0.0043 1839 VAL 456 C -0.0086 0.0057 -0.0055 1840 VAL 456 O -0.0080 0.0056 -0.0060 1841 VAL 456 CB -0.0080 0.0049 -0.0046 1842 VAL 456 HB -0.0081 0.0046 -0.0038 1843 VAL 456 CG1 -0.0069 0.0044 -0.0050 1844 VAL 456 HG11 -0.0067 0.0047 -0.0058 1845 VAL 456 HG12 -0.0065 0.0042 -0.0050 1846 VAL 456 HG13 -0.0065 0.0040 -0.0045 1847 VAL 456 CG2 -0.0084 0.0054 -0.0051 1848 VAL 456 HG21 -0.0082 0.0057 -0.0060 1849 VAL 456 HG22 -0.0092 0.0058 -0.0049 1850 VAL 456 HG23 -0.0081 0.0052 -0.0050 1851 ASP 457 N -0.0097 0.0070 -0.0037 1852 ASP 457 HN -0.0102 0.0068 -0.0033 1853 ASP 457 CA -0.0101 0.0074 -0.0045 1854 ASP 457 HA -0.0097 0.0075 -0.0048 1855 ASP 457 C -0.0100 0.0076 -0.0051 1856 ASP 457 O -0.0095 0.0078 -0.0057 1857 ASP 457 CB -0.0110 0.0073 -0.0045 1858 ASP 457 HB2 -0.0115 0.0072 -0.0043 1859 ASP 457 HB3 -0.0110 0.0071 -0.0039 1860 ASP 457 CG -0.0114 0.0076 -0.0052 1861 ASP 457 OD1 -0.0121 0.0077 -0.0055 1862 ASP 457 OD2 -0.0110 0.0077 -0.0054 1863 ASN 458 N -0.0105 0.0075 -0.0048 1864 ASN 458 HN -0.0109 0.0073 -0.0044 1865 ASN 458 CA -0.0105 0.0076 -0.0051 1866 ASN 458 HA -0.0108 0.0079 -0.0057 1867 ASN 458 C -0.0096 0.0077 -0.0052 1868 ASN 458 O -0.0093 0.0079 -0.0059 1869 ASN 458 CB -0.0111 0.0074 -0.0046 1870 ASN 458 HB2 -0.0108 0.0071 -0.0039 1871 ASN 458 HB3 -0.0118 0.0073 -0.0045 1872 ASN 458 CG -0.0113 0.0075 -0.0049 1873 ASN 458 OD1 -0.0116 0.0078 -0.0056 1874 ASN 458 ND2 -0.0111 0.0073 -0.0044 1875 ASN 458 HD21 -0.0113 0.0074 -0.0046 1876 ASN 458 HD22 -0.0110 0.0071 -0.0038 1877 PHE 459 N -0.0085 0.0063 -0.0055 1878 PHE 459 HN -0.0088 0.0063 -0.0049 1879 PHE 459 CA -0.0073 0.0054 -0.0055 1880 PHE 459 HA -0.0074 0.0052 -0.0051 1881 PHE 459 C -0.0066 0.0054 -0.0070 1882 PHE 459 O -0.0061 0.0052 -0.0073 1883 PHE 459 CB -0.0069 0.0046 -0.0047 1884 PHE 459 HB2 -0.0072 0.0043 -0.0036 1885 PHE 459 HB3 -0.0073 0.0049 -0.0048 1886 PHE 459 CG -0.0056 0.0036 -0.0050 1887 PHE 459 CD1 -0.0051 0.0036 -0.0058 1888 PHE 459 HD1 -0.0056 0.0042 -0.0061 1889 PHE 459 CD2 -0.0049 0.0029 -0.0047 1890 PHE 459 HD2 -0.0053 0.0029 -0.0041 1891 PHE 459 CE1 -0.0039 0.0028 -0.0063 1892 PHE 459 HE1 -0.0036 0.0028 -0.0070 1893 PHE 459 CE2 -0.0037 0.0021 -0.0052 1894 PHE 459 HE2 -0.0032 0.0015 -0.0049 1895 PHE 459 CZ -0.0033 0.0021 -0.0060 1896 PHE 459 HZ -0.0024 0.0015 -0.0064 1897 LYS 460 N -0.0064 0.0057 -0.0078 1898 LYS 460 HN -0.0069 0.0059 -0.0074 1899 LYS 460 CA -0.0056 0.0056 -0.0091 1900 LYS 460 HA -0.0048 0.0049 -0.0090 1901 LYS 460 C -0.0059 0.0064 -0.0101 1902 LYS 460 O -0.0052 0.0061 -0.0110 1903 LYS 460 CB -0.0055 0.0057 -0.0096 1904 LYS 460 HB2 -0.0055 0.0053 -0.0086 1905 LYS 460 HB3 -0.0063 0.0065 -0.0099 1906 LYS 460 CG -0.0044 0.0052 -0.0106 1907 LYS 460 HG2 -0.0037 0.0046 -0.0104 1908 LYS 460 HG3 -0.0042 0.0049 -0.0103 1909 LYS 460 CD -0.0044 0.0060 -0.0121 1910 LYS 460 HD2 -0.0047 0.0064 -0.0123 1911 LYS 460 HD3 -0.0050 0.0065 -0.0122 1912 LYS 460 CE -0.0032 0.0054 -0.0131 1913 LYS 460 HE2 -0.0027 0.0050 -0.0130 1914 LYS 460 HE3 -0.0033 0.0060 -0.0141 1915 LYS 460 NZ -0.0026 0.0048 -0.0129 1916 LYS 460 HZ1 -0.0023 0.0041 -0.0120 1917 LYS 460 HZ2 -0.0019 0.0046 -0.0136 1918 LYS 460 HZ3 -0.0031 0.0052 -0.0127 1919 PHE 461 N -0.0065 0.0074 -0.0096 1920 PHE 461 HN -0.0071 0.0074 -0.0091 1921 PHE 461 CA -0.0070 0.0083 -0.0104 1922 PHE 461 HA -0.0065 0.0086 -0.0113 1923 PHE 461 C -0.0069 0.0081 -0.0102 1924 PHE 461 O -0.0063 0.0083 -0.0111 1925 PHE 461 CB -0.0084 0.0090 -0.0102 1926 PHE 461 HB2 -0.0084 0.0091 -0.0103 1927 PHE 461 HB3 -0.0089 0.0088 -0.0093 1928 PHE 461 CG -0.0089 0.0100 -0.0111 1929 PHE 461 CD1 -0.0086 0.0106 -0.0122 1930 PHE 461 HD1 -0.0080 0.0104 -0.0125 1931 PHE 461 CD2 -0.0096 0.0103 -0.0108 1932 PHE 461 HD2 -0.0099 0.0098 -0.0099 1933 PHE 461 CE1 -0.0090 0.0115 -0.0130 1934 PHE 461 HE1 -0.0087 0.0119 -0.0139 1935 PHE 461 CE2 -0.0101 0.0111 -0.0116 1936 PHE 461 HE2 -0.0106 0.0113 -0.0113 1937 PHE 461 CZ -0.0097 0.0117 -0.0127 1938 PHE 461 HZ -0.0101 0.0124 -0.0134 1939 ALA 462 N -0.0074 0.0076 -0.0091 1940 ALA 462 HN -0.0079 0.0075 -0.0085 1941 ALA 462 CA -0.0073 0.0073 -0.0088 1942 ALA 462 HA -0.0078 0.0080 -0.0093 1943 ALA 462 C -0.0060 0.0068 -0.0092 1944 ALA 462 O -0.0057 0.0070 -0.0098 1945 ALA 462 CB -0.0079 0.0068 -0.0075 1946 ALA 462 HB1 -0.0075 0.0062 -0.0070 1947 ALA 462 HB2 -0.0089 0.0073 -0.0073 1948 ALA 462 HB3 -0.0079 0.0066 -0.0073 1949 LYS 463 N -0.0050 0.0054 -0.0096 1950 LYS 463 HN -0.0054 0.0054 -0.0091 1951 LYS 463 CA -0.0037 0.0046 -0.0102 1952 LYS 463 HA -0.0034 0.0042 -0.0098 1953 LYS 463 C -0.0033 0.0050 -0.0117 1954 LYS 463 O -0.0024 0.0046 -0.0122 1955 LYS 463 CB -0.0032 0.0039 -0.0096 1956 LYS 463 HB2 -0.0038 0.0044 -0.0096 1957 LYS 463 HB3 -0.0023 0.0036 -0.0104 1958 LYS 463 CG -0.0029 0.0031 -0.0082 1959 LYS 463 HG2 -0.0037 0.0033 -0.0076 1960 LYS 463 HG3 -0.0029 0.0028 -0.0077 1961 LYS 463 CD -0.0017 0.0022 -0.0083 1962 LYS 463 HD2 -0.0014 0.0024 -0.0092 1963 LYS 463 HD3 -0.0010 0.0017 -0.0084 1964 LYS 463 CE -0.0016 0.0015 -0.0071 1965 LYS 463 HE2 -0.0007 0.0008 -0.0070 1966 LYS 463 HE3 -0.0022 0.0015 -0.0061 1967 LYS 463 NZ -0.0020 0.0019 -0.0072 1968 LYS 463 HZ1 -0.0015 0.0020 -0.0083 1969 LYS 463 HZ2 -0.0018 0.0014 -0.0065 1970 LYS 463 HZ3 -0.0029 0.0025 -0.0071 1971 ALA 464 N -0.0039 0.0058 -0.0125 1972 ALA 464 HN -0.0045 0.0061 -0.0121 1973 ALA 464 CA -0.0037 0.0064 -0.0140 1974 ALA 464 HA -0.0027 0.0059 -0.0145 1975 ALA 464 C -0.0041 0.0069 -0.0144 1976 ALA 464 O -0.0034 0.0068 -0.0153 1977 ALA 464 CB -0.0043 0.0071 -0.0146 1978 ALA 464 HB1 -0.0053 0.0077 -0.0142 1979 ALA 464 HB2 -0.0039 0.0068 -0.0144 1980 ALA 464 HB3 -0.0041 0.0075 -0.0157 1981 SER 465 N -0.0052 0.0077 -0.0140 1982 SER 465 HN -0.0058 0.0078 -0.0133 1983 SER 465 CA -0.0058 0.0082 -0.0143 1984 SER 465 HA -0.0060 0.0089 -0.0153 1985 SER 465 C -0.0050 0.0077 -0.0145 1986 SER 465 O -0.0048 0.0081 -0.0155 1987 SER 465 CB -0.0070 0.0086 -0.0131 1988 SER 465 HB2 -0.0074 0.0090 -0.0134 1989 SER 465 HB3 -0.0068 0.0080 -0.0121 1990 SER 465 OG -0.0080 0.0093 -0.0130 1991 SER 465 HG -0.0083 0.0099 -0.0138 1992 ILE 466 N -0.0044 0.0067 -0.0134 1993 ILE 466 HN -0.0045 0.0064 -0.0126 1994 ILE 466 CA -0.0036 0.0061 -0.0134 1995 ILE 466 HA -0.0041 0.0067 -0.0138 1996 ILE 466 C -0.0023 0.0056 -0.0145 1997 ILE 466 O -0.0018 0.0055 -0.0150 1998 ILE 466 CB -0.0036 0.0054 -0.0119 1999 ILE 466 HB -0.0044 0.0057 -0.0111 2000 ILE 466 CG1 -0.0037 0.0054 -0.0116 2001 ILE 466 HG12 -0.0046 0.0061 -0.0118 2002 ILE 466 HG13 -0.0038 0.0048 -0.0105 2003 ILE 466 CG2 -0.0025 0.0043 -0.0114 2004 ILE 466 HG21 -0.0016 0.0039 -0.0120 2005 ILE 466 HG22 -0.0025 0.0043 -0.0115 2006 ILE 466 HG23 -0.0026 0.0038 -0.0102 2007 ILE 466 CD1 -0.0027 0.0050 -0.0125 2008 ILE 466 HD11 -0.0028 0.0056 -0.0137 2009 ILE 466 HD12 -0.0018 0.0043 -0.0126 2010 ILE 466 HD13 -0.0029 0.0049 -0.0121 2011 ILE 467 N -0.0018 0.0052 -0.0150 2012 ILE 467 HN -0.0023 0.0055 -0.0147 2013 ILE 467 CA -0.0005 0.0046 -0.0160 2014 ILE 467 HA 0.0001 0.0040 -0.0157 2015 ILE 467 C -0.0005 0.0054 -0.0177 2016 ILE 467 O -0.0015 0.0063 -0.0182 2017 ILE 467 CB 0.0001 0.0040 -0.0157 2018 ILE 467 HB -0.0004 0.0039 -0.0145 2019 ILE 467 CG1 0.0016 0.0028 -0.0157 2020 ILE 467 HG12 0.0017 0.0024 -0.0149 2021 ILE 467 HG13 0.0018 0.0024 -0.0153 2022 ILE 467 CG2 -0.0002 0.0047 -0.0167 2023 ILE 467 HG21 0.0002 0.0049 -0.0179 2024 ILE 467 HG22 -0.0013 0.0055 -0.0165 2025 ILE 467 HG23 0.0001 0.0043 -0.0163 2026 ILE 467 CD1 0.0026 0.0027 -0.0173 2027 ILE 467 HD11 0.0025 0.0030 -0.0177 2028 ILE 467 HD12 0.0025 0.0032 -0.0181 2029 ILE 467 HD13 0.0036 0.0018 -0.0171 2030 GLN 468 N 0.0005 0.0049 -0.0185 2031 GLN 468 HN 0.0013 0.0041 -0.0181 2032 GLN 468 CA 0.0006 0.0055 -0.0200 2033 GLN 468 HA 0.0017 0.0049 -0.0204 2034 GLN 468 C -0.0001 0.0061 -0.0200 2035 GLN 468 O 0.0004 0.0060 -0.0207 2036 GLN 468 CB 0.0004 0.0062 -0.0213 2037 GLN 468 HB2 0.0010 0.0057 -0.0212 2038 GLN 468 HB3 -0.0006 0.0069 -0.0210 2039 GLN 468 CG 0.0009 0.0066 -0.0230 2040 GLN 468 HG2 0.0019 0.0059 -0.0232 2041 GLN 468 HG3 0.0003 0.0072 -0.0232 2042 GLN 468 CD 0.0009 0.0071 -0.0241 2043 GLN 468 OE1 0.0019 0.0066 -0.0249 2044 GLN 468 NE2 -0.0003 0.0081 -0.0242 2045 GLN 468 HE21 -0.0003 0.0084 -0.0250 2046 GLN 468 HE22 -0.0011 0.0084 -0.0236 2047 ALA 469 N -0.0014 0.0067 -0.0192 2048 ALA 469 HN -0.0017 0.0067 -0.0187 2049 ALA 469 CA -0.0022 0.0071 -0.0189 2050 ALA 469 HA -0.0023 0.0077 -0.0199 2051 ALA 469 C -0.0017 0.0064 -0.0181 2052 ALA 469 O -0.0018 0.0067 -0.0185 2053 ALA 469 CB -0.0036 0.0078 -0.0180 2054 ALA 469 HB1 -0.0035 0.0073 -0.0169 2055 ALA 469 HB2 -0.0040 0.0084 -0.0186 2056 ALA 469 HB3 -0.0042 0.0082 -0.0178 2057 ARG 470 N -0.0010 0.0054 -0.0170 2058 ARG 470 HN -0.0011 0.0053 -0.0167 2059 ARG 470 CA -0.0003 0.0046 -0.0163 2060 ARG 470 HA -0.0010 0.0048 -0.0156 2061 ARG 470 C 0.0006 0.0044 -0.0174 2062 ARG 470 O 0.0015 0.0041 -0.0184 2063 ARG 470 CB 0.0005 0.0035 -0.0154 2064 ARG 470 HB2 -0.0002 0.0037 -0.0146 2065 ARG 470 HB3 0.0011 0.0034 -0.0162 2066 ARG 470 CG 0.0013 0.0025 -0.0146 2067 ARG 470 HG2 0.0021 0.0022 -0.0154 2068 ARG 470 HG3 0.0017 0.0019 -0.0139 2069 ARG 470 CD 0.0006 0.0026 -0.0135 2070 ARG 470 HD2 -0.0004 0.0030 -0.0129 2071 ARG 470 HD3 0.0005 0.0029 -0.0142 2072 ARG 470 NE 0.0014 0.0015 -0.0124 2073 ARG 470 HE 0.0013 0.0011 -0.0115 2074 ARG 470 CZ 0.0022 0.0009 -0.0125 2075 ARG 470 NH1 0.0027 0.0011 -0.0137 2076 ARG 470 HH11 0.0026 0.0016 -0.0147 2077 ARG 470 HH12 0.0033 0.0006 -0.0136 2078 ARG 470 NH2 0.0026 0.0000 -0.0112 2079 ARG 470 HH21 0.0021 -0.0001 -0.0102 2080 ARG 470 HH22 0.0031 -0.0004 -0.0112 2081 GLN 471 N 0.0003 0.0045 -0.0175 2082 GLN 471 HN -0.0005 0.0048 -0.0167 2083 GLN 471 CA 0.0012 0.0043 -0.0183 2084 GLN 471 HA 0.0013 0.0047 -0.0195 2085 GLN 471 C 0.0026 0.0031 -0.0181 2086 GLN 471 O 0.0029 0.0024 -0.0169 2087 GLN 471 CB 0.0005 0.0046 -0.0180 2088 GLN 471 HB2 0.0001 0.0044 -0.0168 2089 GLN 471 HB3 0.0014 0.0041 -0.0184 2090 GLN 471 CG -0.0005 0.0058 -0.0190 2091 GLN 471 HG2 -0.0015 0.0063 -0.0185 2092 GLN 471 HG3 -0.0001 0.0060 -0.0202 2093 GLN 471 CD -0.0008 0.0060 -0.0190 2094 GLN 471 OE1 0.0001 0.0056 -0.0196 2095 GLN 471 NE2 -0.0021 0.0067 -0.0184 2096 GLN 471 HE21 -0.0023 0.0068 -0.0184 2097 GLN 471 HE22 -0.0028 0.0071 -0.0180 2098 LYS 472 N 0.0035 0.0029 -0.0193 2099 LYS 472 HN 0.0032 0.0035 -0.0202 2100 LYS 472 CA 0.0050 0.0019 -0.0196 2101 LYS 472 HA 0.0053 0.0019 -0.0201 2102 LYS 472 C 0.0057 0.0008 -0.0182 2103 LYS 472 O 0.0052 0.0006 -0.0170 2104 LYS 472 CB 0.0056 0.0020 -0.0208 2105 LYS 472 HB2 0.0067 0.0012 -0.0210 2106 LYS 472 HB3 0.0054 0.0026 -0.0219 2107 LYS 472 CG 0.0052 0.0021 -0.0204 2108 LYS 472 HG2 0.0051 0.0017 -0.0191 2109 LYS 472 HG3 0.0060 0.0018 -0.0211 2110 LYS 472 CD 0.0038 0.0033 -0.0208 2111 LYS 472 HD2 0.0030 0.0037 -0.0202 2112 LYS 472 HD3 0.0040 0.0038 -0.0221 2113 LYS 472 CE 0.0035 0.0035 -0.0205 2114 LYS 472 HE2 0.0043 0.0031 -0.0212 2115 LYS 472 HE3 0.0033 0.0030 -0.0193 2116 LYS 472 NZ 0.0022 0.0046 -0.0210 2117 LYS 472 HZ1 0.0023 0.0050 -0.0222 2118 LYS 472 HZ2 0.0020 0.0047 -0.0208 2119 LYS 472 HZ3 0.0014 0.0049 -0.0203 2120 HIS 473 N 0.0067 -0.0001 -0.0184 2121 HIS 473 HN 0.0069 0.0001 -0.0193 2122 HIS 473 CA 0.0076 -0.0013 -0.0174 2123 HIS 473 HA 0.0086 -0.0017 -0.0182 2124 HIS 473 C 0.0076 -0.0015 -0.0167 2125 HIS 473 O 0.0085 -0.0019 -0.0173 2126 HIS 473 CB 0.0077 -0.0018 -0.0161 2127 HIS 473 HB2 0.0085 -0.0027 -0.0155 2128 HIS 473 HB3 0.0067 -0.0015 -0.0153 2129 HIS 473 CG 0.0081 -0.0018 -0.0168 2130 HIS 473 ND1 0.0072 -0.0010 -0.0172 2131 HIS 473 HD1 0.0062 -0.0003 -0.0171 2132 HIS 473 CD2 0.0093 -0.0026 -0.0172 2133 HIS 473 HD2 0.0103 -0.0034 -0.0170 2134 HIS 473 CE1 0.0078 -0.0012 -0.0178 2135 HIS 473 HE1 0.0073 -0.0007 -0.0182 2136 HIS 473 NE2 0.0091 -0.0022 -0.0178 2137 HIS 473 HE2 0.0098 -0.0025 -0.0181 2138 ALA 474 N 0.0066 -0.0013 -0.0154 2139 ALA 474 HN 0.0058 -0.0010 -0.0150 2140 ALA 474 CA 0.0064 -0.0015 -0.0146 2141 ALA 474 HA 0.0073 -0.0020 -0.0150 2142 ALA 474 C 0.0051 -0.0005 -0.0148 2143 ALA 474 O 0.0041 0.0003 -0.0151 2144 ALA 474 CB 0.0062 -0.0022 -0.0128 2145 ALA 474 HB1 0.0053 -0.0017 -0.0123 2146 ALA 474 HB2 0.0071 -0.0029 -0.0126 2147 ALA 474 HB3 0.0061 -0.0024 -0.0122 2148 PHE 475 N 0.0051 -0.0006 -0.0146 2149 PHE 475 HN 0.0058 -0.0013 -0.0145 2150 PHE 475 CA 0.0040 0.0003 -0.0146 2151 PHE 475 HA 0.0034 0.0010 -0.0151 2152 PHE 475 C 0.0033 0.0001 -0.0130 2153 PHE 475 O 0.0026 0.0003 -0.0122 2154 PHE 475 CB 0.0045 0.0003 -0.0156 2155 PHE 475 HB2 0.0051 -0.0004 -0.0150 2156 PHE 475 HB3 0.0037 0.0010 -0.0156 2157 PHE 475 CG 0.0053 0.0004 -0.0172 2158 PHE 475 CD1 0.0066 -0.0005 -0.0175 2159 PHE 475 HD1 0.0071 -0.0013 -0.0167 2160 PHE 475 CD2 0.0047 0.0014 -0.0183 2161 PHE 475 HD2 0.0037 0.0021 -0.0181 2162 PHE 475 CE1 0.0073 -0.0005 -0.0190 2163 PHE 475 HE1 0.0083 -0.0012 -0.0192 2164 PHE 475 CE2 0.0054 0.0014 -0.0198 2165 PHE 475 HE2 0.0050 0.0022 -0.0206 2166 PHE 475 CZ 0.0067 0.0005 -0.0201 2167 PHE 475 HZ 0.0073 0.0006 -0.0212 2168 GLU 476 N 0.0033 -0.0002 -0.0124 2169 GLU 476 HN 0.0037 -0.0001 -0.0131 2170 GLU 476 CA 0.0032 -0.0007 -0.0108 2171 GLU 476 HA 0.0036 -0.0013 -0.0104 2172 GLU 476 C 0.0039 -0.0014 -0.0107 2173 GLU 476 O 0.0050 -0.0024 -0.0104 2174 GLU 476 CB 0.0018 -0.0001 -0.0098 2175 GLU 476 HB2 0.0017 -0.0005 -0.0088 2176 GLU 476 HB3 0.0016 -0.0001 -0.0095 2177 GLU 476 CG 0.0006 0.0011 -0.0104 2178 GLU 476 HG2 0.0007 0.0016 -0.0115 2179 GLU 476 HG3 -0.0003 0.0015 -0.0096 2180 GLU 476 CD 0.0005 0.0013 -0.0108 2181 GLU 476 OE1 -0.0003 0.0017 -0.0100 2182 GLU 476 OE2 0.0013 0.0012 -0.0119 2183 LYS 477 N 0.0034 -0.0010 -0.0109 2184 LYS 477 HN 0.0026 -0.0003 -0.0112 2185 LYS 477 CA 0.0040 -0.0016 -0.0107 2186 LYS 477 HA 0.0042 -0.0022 -0.0097 2187 LYS 477 C 0.0052 -0.0021 -0.0118 2188 LYS 477 O 0.0060 -0.0030 -0.0114 2189 LYS 477 CB 0.0030 -0.0009 -0.0106 2190 LYS 477 HB2 0.0034 -0.0013 -0.0102 2191 LYS 477 HB3 0.0022 -0.0006 -0.0097 2192 LYS 477 CG 0.0025 0.0001 -0.0120 2193 LYS 477 HG2 0.0024 0.0004 -0.0125 2194 LYS 477 HG3 0.0032 -0.0001 -0.0127 2195 LYS 477 CD 0.0013 0.0010 -0.0116 2196 LYS 477 HD2 0.0008 0.0009 -0.0105 2197 LYS 477 HD3 0.0014 0.0009 -0.0117 2198 LYS 477 CE 0.0004 0.0021 -0.0126 2199 LYS 477 HE2 -0.0004 0.0027 -0.0124 2200 LYS 477 HE3 0.0009 0.0022 -0.0138 2201 LYS 477 NZ -0.0001 0.0024 -0.0123 2202 LYS 477 HZ1 -0.0005 0.0022 -0.0112 2203 LYS 477 HZ2 -0.0009 0.0032 -0.0128 2204 LYS 477 HZ3 0.0006 0.0019 -0.0125 2205 TYR 478 N 0.0053 -0.0016 -0.0133 2206 TYR 478 HN 0.0046 -0.0009 -0.0135 2207 TYR 478 CA 0.0064 -0.0020 -0.0145 2208 TYR 478 HA 0.0067 -0.0022 -0.0145 2209 TYR 478 C 0.0076 -0.0030 -0.0142 2210 TYR 478 O 0.0085 -0.0038 -0.0141 2211 TYR 478 CB 0.0062 -0.0011 -0.0160 2212 TYR 478 HB2 0.0055 -0.0006 -0.0159 2213 TYR 478 HB3 0.0071 -0.0015 -0.0168 2214 TYR 478 CG 0.0057 -0.0004 -0.0166 2215 TYR 478 CD1 0.0045 0.0003 -0.0159 2216 TYR 478 HD1 0.0039 0.0004 -0.0151 2217 TYR 478 CD2 0.0064 -0.0006 -0.0177 2218 TYR 478 HD2 0.0074 -0.0011 -0.0183 2219 TYR 478 CE1 0.0040 0.0008 -0.0164 2220 TYR 478 HE1 0.0031 0.0013 -0.0159 2221 TYR 478 CE2 0.0060 -0.0000 -0.0182 2222 TYR 478 HE2 0.0066 -0.0001 -0.0191 2223 TYR 478 CZ 0.0048 0.0007 -0.0176 2224 TYR 478 OH 0.0044 0.0012 -0.0180 2225 TYR 478 HH 0.0050 0.0010 -0.0188 2226 TYR 479 N 0.0074 -0.0030 -0.0140 2227 TYR 479 HN 0.0067 -0.0023 -0.0142 2228 TYR 479 CA 0.0082 -0.0039 -0.0134 2229 TYR 479 HA 0.0090 -0.0042 -0.0142 2230 TYR 479 C 0.0086 -0.0047 -0.0122 2231 TYR 479 O 0.0097 -0.0056 -0.0123 2232 TYR 479 CB 0.0076 -0.0036 -0.0129 2233 TYR 479 HB2 0.0078 -0.0033 -0.0139 2234 TYR 479 HB3 0.0066 -0.0030 -0.0125 2235 TYR 479 CG 0.0080 -0.0045 -0.0117 2236 TYR 479 CD1 0.0092 -0.0053 -0.0120 2237 TYR 479 HD1 0.0098 -0.0053 -0.0130 2238 TYR 479 CD2 0.0073 -0.0044 -0.0103 2239 TYR 479 HD2 0.0064 -0.0038 -0.0101 2240 TYR 479 CE1 0.0096 -0.0061 -0.0108 2241 TYR 479 HE1 0.0104 -0.0067 -0.0110 2242 TYR 479 CE2 0.0077 -0.0053 -0.0092 2243 TYR 479 HE2 0.0071 -0.0053 -0.0081 2244 TYR 479 CZ 0.0088 -0.0061 -0.0094 2245 TYR 479 OH 0.0092 -0.0069 -0.0082 2246 TYR 479 HH 0.0085 -0.0067 -0.0073 2247 ASN 480 N 0.0077 -0.0045 -0.0110 2248 ASN 480 HN 0.0069 -0.0038 -0.0110 2249 ASN 480 CA 0.0079 -0.0052 -0.0098 2250 ASN 480 HA 0.0084 -0.0058 -0.0093 2251 ASN 480 C 0.0087 -0.0057 -0.0102 2252 ASN 480 O 0.0096 -0.0066 -0.0098 2253 ASN 480 CB 0.0067 -0.0047 -0.0087 2254 ASN 480 HB2 0.0062 -0.0041 -0.0091 2255 ASN 480 HB3 0.0061 -0.0042 -0.0086 2256 ASN 480 CG 0.0069 -0.0054 -0.0072 2257 ASN 480 OD1 0.0072 -0.0060 -0.0065 2258 ASN 480 ND2 0.0067 -0.0055 -0.0067 2259 ASN 480 HD21 0.0067 -0.0060 -0.0056 2260 ASN 480 HD22 0.0065 -0.0051 -0.0073 2261 ARG 481 N 0.0083 -0.0051 -0.0111 2262 ARG 481 HN 0.0075 -0.0043 -0.0114 2263 ARG 481 CA 0.0090 -0.0054 -0.0116 2264 ARG 481 HA 0.0091 -0.0059 -0.0106 2265 ARG 481 C 0.0103 -0.0061 -0.0124 2266 ARG 481 O 0.0112 -0.0069 -0.0122 2267 ARG 481 CB 0.0083 -0.0045 -0.0124 2268 ARG 481 HB2 0.0086 -0.0049 -0.0122 2269 ARG 481 HB3 0.0073 -0.0040 -0.0119 2270 ARG 481 CG 0.0085 -0.0040 -0.0141 2271 ARG 481 HG2 0.0095 -0.0046 -0.0146 2272 ARG 481 HG3 0.0082 -0.0037 -0.0143 2273 ARG 481 CD 0.0078 -0.0032 -0.0148 2274 ARG 481 HD2 0.0068 -0.0026 -0.0143 2275 ARG 481 HD3 0.0082 -0.0035 -0.0147 2276 ARG 481 NE 0.0081 -0.0027 -0.0164 2277 ARG 481 HE 0.0074 -0.0021 -0.0166 2278 ARG 481 CZ 0.0091 -0.0031 -0.0174 2279 ARG 481 NH1 0.0100 -0.0039 -0.0172 2280 ARG 481 HH11 0.0099 -0.0042 -0.0163 2281 ARG 481 HH12 0.0107 -0.0042 -0.0180 2282 ARG 481 NH2 0.0092 -0.0027 -0.0187 2283 ARG 481 HH21 0.0087 -0.0022 -0.0188 2284 ARG 481 HH22 0.0100 -0.0030 -0.0194 2285 CYS 482 N 0.0105 -0.0058 -0.0135 2286 CYS 482 HN 0.0098 -0.0052 -0.0137 2287 CYS 482 CA 0.0117 -0.0064 -0.0143 2288 CYS 482 HA 0.0122 -0.0066 -0.0148 2289 CYS 482 C 0.0125 -0.0074 -0.0134 2290 CYS 482 O 0.0135 -0.0082 -0.0135 2291 CYS 482 CB 0.0115 -0.0058 -0.0156 2292 CYS 482 HB2 0.0124 -0.0063 -0.0161 2293 CYS 482 HB3 0.0109 -0.0055 -0.0151 2294 CYS 482 SG 0.0109 -0.0047 -0.0169 2295 CYS 482 HG 0.0118 -0.0053 -0.0173 2296 CYS 483 N 0.0119 -0.0074 -0.0125 2297 CYS 483 HN 0.0110 -0.0067 -0.0125 2298 CYS 483 CA 0.0124 -0.0083 -0.0115 2299 CYS 483 HA 0.0132 -0.0087 -0.0121 2300 CYS 483 C 0.0128 -0.0090 -0.0104 2301 CYS 483 O 0.0138 -0.0099 -0.0101 2302 CYS 483 CB 0.0116 -0.0079 -0.0107 2303 CYS 483 HB2 0.0108 -0.0075 -0.0100 2304 CYS 483 HB3 0.0113 -0.0073 -0.0115 2305 CYS 483 SG 0.0123 -0.0090 -0.0096 2306 CYS 483 HG 0.0131 -0.0097 -0.0094 2307 ARG 484 N 0.0120 -0.0086 -0.0097 2308 ARG 484 HN 0.0112 -0.0079 -0.0099 2309 ARG 484 CA 0.0122 -0.0093 -0.0086 2310 ARG 484 HA 0.0129 -0.0100 -0.0081 2311 ARG 484 C 0.0125 -0.0093 -0.0091 2312 ARG 484 O 0.0121 -0.0093 -0.0084 2313 ARG 484 CB 0.0110 -0.0088 -0.0073 2314 ARG 484 HB2 0.0103 -0.0082 -0.0076 2315 ARG 484 HB3 0.0112 -0.0094 -0.0064 2316 ARG 484 CG 0.0103 -0.0085 -0.0068 2317 ARG 484 HG2 0.0095 -0.0082 -0.0060 2318 ARG 484 HG3 0.0100 -0.0079 -0.0077 2319 ARG 484 CD 0.0110 -0.0093 -0.0062 2320 ARG 484 HD2 0.0120 -0.0099 -0.0067 2321 ARG 484 HD3 0.0110 -0.0097 -0.0050 2322 ARG 484 NE 0.0106 -0.0089 -0.0065 2323 ARG 484 HE 0.0112 -0.0090 -0.0073 2324 ARG 484 CZ 0.0095 -0.0082 -0.0059 2325 ARG 484 NH1 0.0087 -0.0079 -0.0050 2326 ARG 484 HH11 0.0087 -0.0079 -0.0051 2327 ARG 484 HH12 0.0079 -0.0073 -0.0049 2328 ARG 484 NH2 0.0094 -0.0079 -0.0064 2329 ARG 484 HH21 0.0100 -0.0081 -0.0071 2330 ARG 484 HH22 0.0086 -0.0075 -0.0060 2331 ASP 485 N 0.0134 -0.0095 -0.0104 2332 ASP 485 HN 0.0138 -0.0096 -0.0108 2333 ASP 485 CA 0.0138 -0.0094 -0.0113 2334 ASP 485 HA 0.0135 -0.0088 -0.0123 2335 ASP 485 C 0.0130 -0.0090 -0.0107 2336 ASP 485 O 0.0135 -0.0096 -0.0101 2337 ASP 485 CB 0.0152 -0.0104 -0.0116 2338 ASP 485 HB2 0.0154 -0.0104 -0.0120 2339 ASP 485 HB3 0.0155 -0.0110 -0.0106 2340 ASP 485 CG 0.0159 -0.0105 -0.0128 2341 ASP 485 OD1 0.0157 -0.0099 -0.0140 2342 ASP 485 OD2 0.0166 -0.0112 -0.0124 2343 HIS 486 N 0.0118 -0.0080 -0.0109 2344 HIS 486 HN 0.0115 -0.0076 -0.0114 2345 HIS 486 CA 0.0110 -0.0075 -0.0104 2346 HIS 486 HA 0.0114 -0.0081 -0.0098 2347 HIS 486 C 0.0107 -0.0068 -0.0118 2348 HIS 486 O 0.0101 -0.0060 -0.0125 2349 HIS 486 CB 0.0098 -0.0070 -0.0094 2350 HIS 486 HB2 0.0093 -0.0064 -0.0099 2351 HIS 486 HB3 0.0101 -0.0076 -0.0085 2352 HIS 486 CG 0.0089 -0.0066 -0.0086 2353 HIS 486 ND1 0.0091 -0.0069 -0.0085 2354 HIS 486 HD1 0.0100 -0.0074 -0.0088 2355 HIS 486 CD2 0.0077 -0.0059 -0.0079 2356 HIS 486 HD2 0.0072 -0.0056 -0.0078 2357 HIS 486 CE1 0.0081 -0.0064 -0.0077 2358 HIS 486 HE1 0.0080 -0.0064 -0.0075 2359 HIS 486 NE2 0.0073 -0.0058 -0.0074 2360 HIS 486 HE2 0.0063 -0.0053 -0.0068 2361 PRO 487 N 0.0112 -0.0071 -0.0120 2362 PRO 487 CA 0.0110 -0.0064 -0.0132 2363 PRO 487 HA 0.0114 -0.0063 -0.0142 2364 PRO 487 C 0.0096 -0.0053 -0.0132 2365 PRO 487 O 0.0093 -0.0047 -0.0144 2366 PRO 487 CB 0.0117 -0.0069 -0.0131 2367 PRO 487 HB2 0.0110 -0.0067 -0.0124 2368 PRO 487 HB3 0.0120 -0.0068 -0.0142 2369 PRO 487 CG 0.0127 -0.0081 -0.0124 2370 PRO 487 HG2 0.0135 -0.0084 -0.0132 2371 PRO 487 HG3 0.0130 -0.0085 -0.0118 2372 PRO 487 CD 0.0122 -0.0081 -0.0114 2373 PRO 487 HD2 0.0130 -0.0087 -0.0114 2374 PRO 487 HD3 0.0118 -0.0082 -0.0103 2375 ASN 488 N 0.0088 -0.0052 -0.0119 2376 ASN 488 HN 0.0091 -0.0058 -0.0110 2377 ASN 488 CA 0.0074 -0.0043 -0.0117 2378 ASN 488 HA 0.0073 -0.0038 -0.0126 2379 ASN 488 C 0.0068 -0.0038 -0.0117 2380 ASN 488 O 0.0070 -0.0042 -0.0109 2381 ASN 488 CB 0.0068 -0.0044 -0.0102 2382 ASN 488 HB2 0.0059 -0.0036 -0.0102 2383 ASN 488 HB3 0.0067 -0.0047 -0.0093 2384 ASN 488 CG 0.0076 -0.0051 -0.0098 2385 ASN 488 OD1 0.0086 -0.0060 -0.0094 2386 ASN 488 ND2 0.0071 -0.0048 -0.0099 2387 ASN 488 HD21 0.0076 -0.0052 -0.0096 2388 ASN 488 HD22 0.0063 -0.0040 -0.0100 2389 LYS 489 N 0.0061 -0.0029 -0.0124 2390 LYS 489 HN 0.0061 -0.0026 -0.0132 2391 LYS 489 CA 0.0052 -0.0021 -0.0123 2392 LYS 489 HA 0.0055 -0.0025 -0.0123 2393 LYS 489 C 0.0041 -0.0019 -0.0110 2394 LYS 489 O 0.0037 -0.0016 -0.0108 2395 LYS 489 CB 0.0047 -0.0012 -0.0137 2396 LYS 489 HB2 0.0055 -0.0014 -0.0146 2397 LYS 489 HB3 0.0044 -0.0009 -0.0137 2398 LYS 489 CG 0.0037 -0.0003 -0.0139 2399 LYS 489 HG2 0.0030 -0.0001 -0.0128 2400 LYS 489 HG3 0.0040 -0.0004 -0.0142 2401 LYS 489 CD 0.0031 0.0007 -0.0150 2402 LYS 489 HD2 0.0028 0.0008 -0.0146 2403 LYS 489 HD3 0.0037 0.0006 -0.0160 2404 LYS 489 CE 0.0020 0.0017 -0.0152 2405 LYS 489 HE2 0.0023 0.0017 -0.0158 2406 LYS 489 HE3 0.0015 0.0017 -0.0141 2407 LYS 489 NZ 0.0012 0.0026 -0.0158 2408 LYS 489 HZ1 0.0017 0.0026 -0.0167 2409 LYS 489 HZ2 0.0006 0.0032 -0.0161 2410 LYS 489 HZ3 0.0007 0.0027 -0.0151 2411 LEU 490 N 0.0037 -0.0018 -0.0102 2412 LEU 490 HN 0.0041 -0.0021 -0.0104 2413 LEU 490 CA 0.0027 -0.0015 -0.0090 2414 LEU 490 HA 0.0030 -0.0022 -0.0081 2415 LEU 490 C 0.0017 -0.0007 -0.0090 2416 LEU 490 O 0.0014 -0.0009 -0.0080 2417 LEU 490 CB 0.0022 -0.0012 -0.0088 2418 LEU 490 HB2 0.0030 -0.0018 -0.0090 2419 LEU 490 HB3 0.0018 -0.0005 -0.0097 2420 LEU 490 CG 0.0013 -0.0011 -0.0074 2421 LEU 490 HG 0.0016 -0.0017 -0.0066 2422 LEU 490 CD1 0.0013 -0.0011 -0.0073 2423 LEU 490 HD11 0.0009 -0.0005 -0.0081 2424 LEU 490 HD12 0.0022 -0.0018 -0.0073 2425 LEU 490 HD13 0.0007 -0.0011 -0.0062 2426 LEU 490 CD2 0.0000 -0.0001 -0.0073 2427 LEU 490 HD21 -0.0004 0.0006 -0.0082 2428 LEU 490 HD22 -0.0006 -0.0000 -0.0063 2429 LEU 490 HD23 -0.0000 -0.0001 -0.0073 2430 ASP 491 N 0.0010 0.0000 -0.0100 2431 ASP 491 HN 0.0012 0.0001 -0.0107 2432 ASP 491 CA 0.0002 0.0009 -0.0104 2433 ASP 491 HA -0.0007 0.0013 -0.0098 2434 ASP 491 C 0.0004 0.0005 -0.0101 2435 ASP 491 O -0.0004 0.0009 -0.0094 2436 ASP 491 CB 0.0003 0.0014 -0.0120 2437 ASP 491 HB2 0.0011 0.0010 -0.0126 2438 ASP 491 HB3 0.0004 0.0014 -0.0122 2439 ASP 491 CG -0.0007 0.0025 -0.0126 2440 ASP 491 OD1 -0.0017 0.0031 -0.0119 2441 ASP 491 OD2 -0.0004 0.0029 -0.0139 2442 LEU 492 N 0.0016 -0.0002 -0.0105 2443 LEU 492 HN 0.0022 -0.0006 -0.0109 2444 LEU 492 CA 0.0020 -0.0007 -0.0103 2445 LEU 492 HA 0.0015 -0.0001 -0.0107 2446 LEU 492 C 0.0019 -0.0013 -0.0087 2447 LEU 492 O 0.0013 -0.0011 -0.0082 2448 LEU 492 CB 0.0034 -0.0015 -0.0111 2449 LEU 492 HB2 0.0039 -0.0021 -0.0107 2450 LEU 492 HB3 0.0036 -0.0018 -0.0109 2451 LEU 492 CG 0.0037 -0.0010 -0.0128 2452 LEU 492 HG 0.0033 -0.0006 -0.0130 2453 LEU 492 CD1 0.0050 -0.0018 -0.0134 2454 LEU 492 HD11 0.0054 -0.0023 -0.0133 2455 LEU 492 HD12 0.0054 -0.0024 -0.0129 2456 LEU 492 HD13 0.0052 -0.0015 -0.0146 2457 LEU 492 CD2 0.0031 -0.0002 -0.0135 2458 LEU 492 HD21 0.0035 -0.0006 -0.0133 2459 LEU 492 HD22 0.0033 0.0001 -0.0147 2460 LEU 492 HD23 0.0021 0.0004 -0.0131 2461 ASP 493 N 0.0024 -0.0020 -0.0081 2462 ASP 493 HN 0.0029 -0.0022 -0.0086 2463 ASP 493 CA 0.0023 -0.0025 -0.0065 2464 ASP 493 HA 0.0027 -0.0030 -0.0062 2465 ASP 493 C 0.0009 -0.0019 -0.0057 2466 ASP 493 O 0.0006 -0.0020 -0.0047 2467 ASP 493 CB 0.0030 -0.0032 -0.0061 2468 ASP 493 HB2 0.0028 -0.0036 -0.0049 2469 ASP 493 HB3 0.0026 -0.0028 -0.0065 2470 ASP 493 CG 0.0043 -0.0041 -0.0066 2471 ASP 493 OD1 0.0049 -0.0042 -0.0074 2472 ASP 493 OD2 0.0049 -0.0047 -0.0061 2473 SER 494 N 0.0001 -0.0011 -0.0061 2474 SER 494 HN 0.0004 -0.0010 -0.0069 2475 SER 494 CA -0.0012 -0.0003 -0.0055 2476 SER 494 HA -0.0013 -0.0006 -0.0044 2477 SER 494 C -0.0019 0.0003 -0.0058 2478 SER 494 O -0.0027 0.0005 -0.0048 2479 SER 494 CB -0.0019 0.0004 -0.0061 2480 SER 494 HB2 -0.0029 0.0010 -0.0057 2481 SER 494 HB3 -0.0017 0.0008 -0.0073 2482 SER 494 OG -0.0014 -0.0000 -0.0058 2483 SER 494 HG -0.0017 -0.0002 -0.0048 2484 LEU 495 N -0.0017 0.0005 -0.0071 2485 LEU 495 HN -0.0012 0.0003 -0.0078 2486 LEU 495 CA -0.0022 0.0010 -0.0074 2487 LEU 495 HA -0.0031 0.0016 -0.0073 2488 LEU 495 C -0.0022 0.0006 -0.0065 2489 LEU 495 O -0.0031 0.0011 -0.0060 2490 LEU 495 CB -0.0018 0.0012 -0.0089 2491 LEU 495 HB2 -0.0010 0.0007 -0.0093 2492 LEU 495 HB3 -0.0016 0.0010 -0.0089 2493 LEU 495 CG -0.0026 0.0021 -0.0099 2494 LEU 495 HG -0.0021 0.0021 -0.0108 2495 LEU 495 CD1 -0.0036 0.0028 -0.0095 2496 LEU 495 HD11 -0.0041 0.0029 -0.0086 2497 LEU 495 HD12 -0.0033 0.0026 -0.0095 2498 LEU 495 HD13 -0.0041 0.0035 -0.0103 2499 LEU 495 CD2 -0.0029 0.0025 -0.0101 2500 LEU 495 HD21 -0.0034 0.0025 -0.0091 2501 LEU 495 HD22 -0.0034 0.0031 -0.0108 2502 LEU 495 HD23 -0.0022 0.0020 -0.0104 2503 LEU 496 N -0.0012 -0.0002 -0.0062 2504 LEU 496 HN -0.0006 -0.0006 -0.0067 2505 LEU 496 CA -0.0009 -0.0008 -0.0053 2506 LEU 496 HA -0.0006 -0.0009 -0.0060 2507 LEU 496 C -0.0018 -0.0005 -0.0043 2508 LEU 496 O -0.0019 -0.0005 -0.0042 2509 LEU 496 CB 0.0000 -0.0018 -0.0047 2510 LEU 496 HB2 0.0007 -0.0020 -0.0055 2511 LEU 496 HB3 -0.0003 -0.0017 -0.0041 2512 LEU 496 CG 0.0007 -0.0025 -0.0039 2513 LEU 496 HG 0.0000 -0.0023 -0.0031 2514 LEU 496 CD1 0.0012 -0.0027 -0.0048 2515 LEU 496 HD11 0.0019 -0.0029 -0.0056 2516 LEU 496 HD12 0.0006 -0.0021 -0.0052 2517 LEU 496 HD13 0.0016 -0.0032 -0.0042 2518 LEU 496 CD2 0.0015 -0.0034 -0.0033 2519 LEU 496 HD21 0.0021 -0.0037 -0.0040 2520 LEU 496 HD22 0.0019 -0.0039 -0.0027 2521 LEU 496 HD23 0.0011 -0.0033 -0.0027 2522 ILE 497 N -0.0030 -0.0002 -0.0034 2523 ILE 497 HN -0.0029 -0.0003 -0.0036 2524 ILE 497 CA -0.0040 0.0002 -0.0024 2525 ILE 497 HA -0.0037 -0.0002 -0.0017 2526 ILE 497 C -0.0048 0.0009 -0.0030 2527 ILE 497 O -0.0053 0.0010 -0.0023 2528 ILE 497 CB -0.0044 0.0003 -0.0018 2529 ILE 497 HB -0.0045 0.0005 -0.0025 2530 ILE 497 CG1 -0.0035 -0.0005 -0.0010 2531 ILE 497 HG12 -0.0027 -0.0009 -0.0016 2532 ILE 497 HG13 -0.0038 -0.0004 -0.0007 2533 ILE 497 CG2 -0.0055 0.0009 -0.0010 2534 ILE 497 HG21 -0.0055 0.0007 -0.0003 2535 ILE 497 HG22 -0.0061 0.0014 -0.0016 2536 ILE 497 HG23 -0.0057 0.0009 -0.0004 2537 ILE 497 CD1 -0.0034 -0.0009 0.0003 2538 ILE 497 HD11 -0.0032 -0.0010 0.0001 2539 ILE 497 HD12 -0.0041 -0.0005 0.0009 2540 ILE 497 HD13 -0.0028 -0.0014 0.0007 2541 SER 498 N -0.0051 0.0013 -0.0041 2542 SER 498 HN -0.0047 0.0012 -0.0047 2543 SER 498 CA -0.0058 0.0020 -0.0048 2544 SER 498 HA -0.0065 0.0023 -0.0042 2545 SER 498 C -0.0054 0.0018 -0.0050 2546 SER 498 O -0.0060 0.0021 -0.0045 2547 SER 498 CB -0.0060 0.0024 -0.0061 2548 SER 498 HB2 -0.0064 0.0028 -0.0066 2549 SER 498 HB3 -0.0053 0.0021 -0.0066 2550 SER 498 OG -0.0067 0.0029 -0.0059 2551 SER 498 HG -0.0074 0.0033 -0.0057 2552 PRO 499 N -0.0044 0.0014 -0.0063 2553 PRO 499 CA -0.0041 0.0011 -0.0064 2554 PRO 499 HA -0.0047 0.0017 -0.0068 2555 PRO 499 C -0.0039 0.0008 -0.0050 2556 PRO 499 O -0.0042 0.0009 -0.0049 2557 PRO 499 CB -0.0030 0.0006 -0.0074 2558 PRO 499 HB2 -0.0023 0.0001 -0.0071 2559 PRO 499 HB3 -0.0032 0.0010 -0.0084 2560 PRO 499 CG -0.0026 0.0003 -0.0075 2561 PRO 499 HG2 -0.0021 0.0002 -0.0085 2562 PRO 499 HG3 -0.0020 -0.0003 -0.0067 2563 PRO 499 CD -0.0036 0.0010 -0.0072 2564 PRO 499 HD2 -0.0040 0.0015 -0.0081 2565 PRO 499 HD3 -0.0034 0.0008 -0.0067 2566 ILE 500 N -0.0035 0.0002 -0.0040 2567 ILE 500 HN -0.0033 0.0001 -0.0041 2568 ILE 500 CA -0.0034 -0.0002 -0.0027 2569 ILE 500 HA -0.0029 -0.0004 -0.0030 2570 ILE 500 C -0.0045 0.0004 -0.0019 2571 ILE 500 O -0.0044 0.0002 -0.0011 2572 ILE 500 CB -0.0026 -0.0009 -0.0018 2573 ILE 500 HB -0.0020 -0.0012 -0.0026 2574 ILE 500 CG1 -0.0019 -0.0016 -0.0010 2575 ILE 500 HG12 -0.0015 -0.0020 -0.0003 2576 ILE 500 HG13 -0.0025 -0.0013 -0.0004 2577 ILE 500 CG2 -0.0033 -0.0006 -0.0009 2578 ILE 500 HG21 -0.0038 -0.0004 -0.0001 2579 ILE 500 HG22 -0.0038 -0.0001 -0.0015 2580 ILE 500 HG23 -0.0027 -0.0011 -0.0005 2581 ILE 500 CD1 -0.0010 -0.0021 -0.0018 2582 ILE 500 HD11 -0.0004 -0.0023 -0.0025 2583 ILE 500 HD12 -0.0014 -0.0017 -0.0025 2584 ILE 500 HD13 -0.0005 -0.0026 -0.0012 2585 GLN 501 N -0.0059 0.0011 -0.0022 2586 GLN 501 HN -0.0059 0.0011 -0.0027 2587 GLN 501 CA -0.0070 0.0018 -0.0017 2588 GLN 501 HA -0.0068 0.0016 -0.0008 2589 GLN 501 C -0.0075 0.0022 -0.0025 2590 GLN 501 O -0.0082 0.0026 -0.0020 2591 GLN 501 CB -0.0077 0.0022 -0.0013 2592 GLN 501 HB2 -0.0073 0.0019 -0.0007 2593 GLN 501 HB3 -0.0079 0.0024 -0.0022 2594 GLN 501 CG -0.0088 0.0029 -0.0006 2595 GLN 501 HG2 -0.0094 0.0033 -0.0013 2596 GLN 501 HG3 -0.0093 0.0032 -0.0003 2597 GLN 501 CD -0.0087 0.0027 0.0006 2598 GLN 501 OE1 -0.0083 0.0024 0.0016 2599 GLN 501 NE2 -0.0091 0.0030 0.0005 2600 GLN 501 HE21 -0.0091 0.0029 0.0013 2601 GLN 501 HE22 -0.0092 0.0031 -0.0003 2602 ARG 502 N -0.0072 0.0020 -0.0037 2603 ARG 502 HN -0.0066 0.0017 -0.0041 2604 ARG 502 CA -0.0075 0.0023 -0.0046 2605 ARG 502 HA -0.0084 0.0029 -0.0043 2606 ARG 502 C -0.0070 0.0020 -0.0043 2607 ARG 502 O -0.0075 0.0023 -0.0043 2608 ARG 502 CB -0.0075 0.0024 -0.0060 2609 ARG 502 HB2 -0.0079 0.0027 -0.0061 2610 ARG 502 HB3 -0.0066 0.0019 -0.0063 2611 ARG 502 CG -0.0079 0.0027 -0.0070 2612 ARG 502 HG2 -0.0073 0.0024 -0.0071 2613 ARG 502 HG3 -0.0079 0.0028 -0.0080 2614 ARG 502 CD -0.0090 0.0034 -0.0067 2615 ARG 502 HD2 -0.0096 0.0038 -0.0065 2616 ARG 502 HD3 -0.0090 0.0034 -0.0059 2617 ARG 502 NE -0.0093 0.0037 -0.0079 2618 ARG 502 HE -0.0090 0.0035 -0.0080 2619 ARG 502 CZ -0.0099 0.0042 -0.0089 2620 ARG 502 NH1 -0.0104 0.0045 -0.0089 2621 ARG 502 HH11 -0.0102 0.0043 -0.0082 2622 ARG 502 HH12 -0.0108 0.0048 -0.0096 2623 ARG 502 NH2 -0.0101 0.0043 -0.0099 2624 ARG 502 HH21 -0.0096 0.0041 -0.0099 2625 ARG 502 HH22 -0.0105 0.0046 -0.0106 2626 VAL 503 N -0.0055 0.0012 -0.0045 2627 VAL 503 HN -0.0051 0.0010 -0.0047 2628 VAL 503 CA -0.0047 0.0006 -0.0043 2629 VAL 503 HA -0.0047 0.0008 -0.0052 2630 VAL 503 C -0.0051 0.0007 -0.0030 2631 VAL 503 O -0.0052 0.0009 -0.0033 2632 VAL 503 CB -0.0033 -0.0002 -0.0042 2633 VAL 503 HB -0.0033 -0.0004 -0.0035 2634 VAL 503 CG1 -0.0029 -0.0004 -0.0057 2635 VAL 503 HG11 -0.0028 -0.0003 -0.0065 2636 VAL 503 HG12 -0.0019 -0.0010 -0.0057 2637 VAL 503 HG13 -0.0034 0.0001 -0.0061 2638 VAL 503 CG2 -0.0025 -0.0009 -0.0037 2639 VAL 503 HG21 -0.0025 -0.0008 -0.0044 2640 VAL 503 HG22 -0.0027 -0.0009 -0.0026 2641 VAL 503 HG23 -0.0015 -0.0015 -0.0038 2642 PRO 504 N -0.0054 0.0008 -0.0016 2643 PRO 504 CA -0.0057 0.0008 -0.0004 2644 PRO 504 HA -0.0049 0.0003 -0.0003 2645 PRO 504 C -0.0068 0.0015 -0.0007 2646 PRO 504 O -0.0066 0.0014 -0.0003 2647 PRO 504 CB -0.0060 0.0008 0.0009 2648 PRO 504 HB2 -0.0070 0.0014 0.0010 2649 PRO 504 HB3 -0.0057 0.0005 0.0019 2650 PRO 504 CG -0.0053 0.0004 0.0006 2651 PRO 504 HG2 -0.0044 -0.0003 0.0010 2652 PRO 504 HG3 -0.0057 0.0006 0.0011 2653 PRO 504 CD -0.0052 0.0006 -0.0010 2654 PRO 504 HD2 -0.0043 0.0000 -0.0014 2655 PRO 504 HD3 -0.0060 0.0011 -0.0014 2656 ARG 505 N -0.0080 0.0022 -0.0015 2657 ARG 505 HN -0.0080 0.0022 -0.0017 2658 ARG 505 CA -0.0090 0.0029 -0.0018 2659 ARG 505 HA -0.0094 0.0031 -0.0008 2660 ARG 505 C -0.0087 0.0028 -0.0026 2661 ARG 505 O -0.0093 0.0031 -0.0023 2662 ARG 505 CB -0.0098 0.0035 -0.0027 2663 ARG 505 HB2 -0.0099 0.0036 -0.0022 2664 ARG 505 HB3 -0.0094 0.0033 -0.0037 2665 ARG 505 CG -0.0111 0.0044 -0.0028 2666 ARG 505 HG2 -0.0116 0.0047 -0.0018 2667 ARG 505 HG3 -0.0111 0.0044 -0.0029 2668 ARG 505 CD -0.0118 0.0050 -0.0040 2669 ARG 505 HD2 -0.0118 0.0049 -0.0040 2670 ARG 505 HD3 -0.0127 0.0056 -0.0039 2671 ARG 505 NE -0.0112 0.0047 -0.0054 2672 ARG 505 HE -0.0104 0.0041 -0.0053 2673 ARG 505 CZ -0.0118 0.0051 -0.0066 2674 ARG 505 NH1 -0.0129 0.0059 -0.0067 2675 ARG 505 HH11 -0.0134 0.0062 -0.0059 2676 ARG 505 HH12 -0.0133 0.0062 -0.0076 2677 ARG 505 NH2 -0.0111 0.0048 -0.0077 2678 ARG 505 HH21 -0.0103 0.0042 -0.0076 2679 ARG 505 HH22 -0.0115 0.0051 -0.0086 2680 TYR 506 N -0.0078 0.0023 -0.0036 2681 TYR 506 HN -0.0074 0.0020 -0.0038 2682 TYR 506 CA -0.0073 0.0020 -0.0044 2683 TYR 506 HA -0.0080 0.0025 -0.0048 2684 TYR 506 C -0.0066 0.0014 -0.0035 2685 TYR 506 O -0.0069 0.0016 -0.0034 2686 TYR 506 CB -0.0066 0.0015 -0.0057 2687 TYR 506 HB2 -0.0058 0.0010 -0.0053 2688 TYR 506 HB3 -0.0062 0.0013 -0.0063 2689 TYR 506 CG -0.0072 0.0021 -0.0068 2690 TYR 506 CD1 -0.0080 0.0027 -0.0076 2691 TYR 506 HD1 -0.0082 0.0028 -0.0075 2692 TYR 506 CD2 -0.0070 0.0019 -0.0071 2693 TYR 506 HD2 -0.0063 0.0015 -0.0064 2694 TYR 506 CE1 -0.0085 0.0031 -0.0087 2695 TYR 506 HE1 -0.0091 0.0036 -0.0094 2696 TYR 506 CE2 -0.0075 0.0024 -0.0082 2697 TYR 506 HE2 -0.0072 0.0022 -0.0084 2698 TYR 506 CZ -0.0083 0.0029 -0.0090 2699 TYR 506 OH -0.0087 0.0034 -0.0102 2700 TYR 506 HH -0.0083 0.0031 -0.0110 2701 GLU 507 N -0.0054 0.0005 -0.0029 2702 GLU 507 HN -0.0052 0.0004 -0.0031 2703 GLU 507 CA -0.0045 -0.0001 -0.0018 2704 GLU 507 HA -0.0039 -0.0005 -0.0024 2705 GLU 507 C -0.0053 0.0003 -0.0005 2706 GLU 507 O -0.0050 0.0001 -0.0002 2707 GLU 507 CB -0.0037 -0.0007 -0.0011 2708 GLU 507 HB2 -0.0035 -0.0008 -0.0020 2709 GLU 507 HB3 -0.0042 -0.0004 -0.0001 2710 GLU 507 CG -0.0023 -0.0016 -0.0005 2711 GLU 507 HG2 -0.0018 -0.0019 -0.0001 2712 GLU 507 HG3 -0.0018 -0.0019 -0.0014 2713 GLU 507 CD -0.0024 -0.0016 0.0008 2714 GLU 507 OE1 -0.0030 -0.0013 0.0021 2715 GLU 507 OE2 -0.0019 -0.0019 0.0007 2716 LEU 508 N -0.0064 0.0009 0.0002 2717 LEU 508 HN -0.0065 0.0010 -0.0001 2718 LEU 508 CA -0.0073 0.0014 0.0013 2719 LEU 508 HA -0.0067 0.0010 0.0021 2720 LEU 508 C -0.0082 0.0020 0.0006 2721 LEU 508 O -0.0084 0.0021 0.0014 2722 LEU 508 CB -0.0081 0.0019 0.0021 2723 LEU 508 HB2 -0.0087 0.0023 0.0012 2724 LEU 508 HB3 -0.0088 0.0022 0.0029 2725 LEU 508 CG -0.0073 0.0013 0.0030 2726 LEU 508 HG -0.0067 0.0010 0.0021 2727 LEU 508 CD1 -0.0083 0.0019 0.0037 2728 LEU 508 HD11 -0.0091 0.0023 0.0043 2729 LEU 508 HD12 -0.0087 0.0022 0.0027 2730 LEU 508 HD13 -0.0078 0.0015 0.0044 2731 LEU 508 CD2 -0.0063 0.0006 0.0041 2732 LEU 508 HD21 -0.0067 0.0008 0.0047 2733 LEU 508 HD22 -0.0061 0.0004 0.0050 2734 LEU 508 HD23 -0.0054 0.0001 0.0035 2735 ILE 509 N -0.0088 0.0024 -0.0009 2736 ILE 509 HN -0.0086 0.0023 -0.0014 2737 ILE 509 CA -0.0095 0.0030 -0.0018 2738 ILE 509 HA -0.0103 0.0034 -0.0009 2739 ILE 509 C -0.0086 0.0024 -0.0021 2740 ILE 509 O -0.0091 0.0027 -0.0020 2741 ILE 509 CB -0.0102 0.0035 -0.0032 2742 ILE 509 HB -0.0103 0.0036 -0.0031 2743 ILE 509 CG1 -0.0117 0.0045 -0.0032 2744 ILE 509 HG12 -0.0122 0.0047 -0.0021 2745 ILE 509 HG13 -0.0122 0.0049 -0.0042 2746 ILE 509 CG2 -0.0095 0.0032 -0.0049 2747 ILE 509 HG21 -0.0094 0.0031 -0.0052 2748 ILE 509 HG22 -0.0085 0.0025 -0.0049 2749 ILE 509 HG23 -0.0101 0.0036 -0.0058 2750 ILE 509 CD1 -0.0120 0.0047 -0.0035 2751 ILE 509 HD11 -0.0116 0.0043 -0.0026 2752 ILE 509 HD12 -0.0115 0.0045 -0.0047 2753 ILE 509 HD13 -0.0131 0.0054 -0.0036 2754 VAL 510 N -0.0073 0.0016 -0.0025 2755 VAL 510 HN -0.0070 0.0014 -0.0028 2756 VAL 510 CA -0.0063 0.0009 -0.0025 2757 VAL 510 HA -0.0066 0.0012 -0.0033 2758 VAL 510 C -0.0062 0.0008 -0.0009 2759 VAL 510 O -0.0065 0.0009 -0.0007 2760 VAL 510 CB -0.0049 0.0001 -0.0032 2761 VAL 510 HB -0.0046 -0.0002 -0.0024 2762 VAL 510 CG1 -0.0050 0.0002 -0.0049 2763 VAL 510 HG11 -0.0053 0.0005 -0.0057 2764 VAL 510 HG12 -0.0040 -0.0004 -0.0053 2765 VAL 510 HG13 -0.0057 0.0007 -0.0050 2766 VAL 510 CG2 -0.0038 -0.0007 -0.0031 2767 VAL 510 HG21 -0.0040 -0.0005 -0.0037 2768 VAL 510 HG22 -0.0036 -0.0009 -0.0018 2769 VAL 510 HG23 -0.0028 -0.0012 -0.0036 2770 LYS 511 N -0.0060 0.0004 0.0004 2771 LYS 511 HN -0.0058 0.0003 0.0002 2772 LYS 511 CA -0.0058 0.0003 0.0021 2773 LYS 511 HA -0.0049 -0.0003 0.0022 2774 LYS 511 C -0.0070 0.0009 0.0029 2775 LYS 511 O -0.0067 0.0007 0.0036 2776 LYS 511 CB -0.0056 0.0000 0.0032 2777 LYS 511 HB2 -0.0050 -0.0003 0.0024 2778 LYS 511 HB3 -0.0066 0.0007 0.0034 2779 LYS 511 CG -0.0049 -0.0005 0.0048 2780 LYS 511 HG2 -0.0049 -0.0006 0.0054 2781 LYS 511 HG3 -0.0055 -0.0002 0.0055 2782 LYS 511 CD -0.0034 -0.0014 0.0046 2783 LYS 511 HD2 -0.0034 -0.0014 0.0043 2784 LYS 511 HD3 -0.0029 -0.0018 0.0058 2785 LYS 511 CE -0.0024 -0.0019 0.0033 2786 LYS 511 HE2 -0.0028 -0.0016 0.0021 2787 LYS 511 HE3 -0.0014 -0.0026 0.0034 2788 LYS 511 NZ -0.0023 -0.0020 0.0035 2789 LYS 511 HZ1 -0.0033 -0.0014 0.0036 2790 LYS 511 HZ2 -0.0020 -0.0022 0.0023 2791 LYS 511 HZ3 -0.0017 -0.0024 0.0044 2792 GLN 512 N -0.0083 0.0018 0.0027 2793 GLN 512 HN -0.0085 0.0019 0.0021 2794 GLN 512 CA -0.0096 0.0025 0.0032 2795 GLN 512 HA -0.0095 0.0023 0.0045 2796 GLN 512 C -0.0096 0.0025 0.0027 2797 GLN 512 O -0.0097 0.0025 0.0038 2798 GLN 512 CB -0.0109 0.0033 0.0030 2799 GLN 512 HB2 -0.0118 0.0038 0.0036 2800 GLN 512 HB3 -0.0109 0.0032 0.0036 2801 GLN 512 CG -0.0113 0.0037 0.0012 2802 GLN 512 HG2 -0.0116 0.0039 0.0006 2803 GLN 512 HG3 -0.0104 0.0032 0.0006 2804 GLN 512 CD -0.0125 0.0044 0.0011 2805 GLN 512 OE1 -0.0124 0.0043 0.0012 2806 GLN 512 NE2 -0.0138 0.0052 0.0008 2807 GLN 512 HE21 -0.0146 0.0057 0.0007 2808 GLN 512 HE22 -0.0139 0.0053 0.0007 2809 MET 513 N -0.0097 0.0026 0.0011 2810 MET 513 HN -0.0096 0.0026 0.0003 2811 MET 513 CA -0.0096 0.0025 0.0005 2812 MET 513 HA -0.0106 0.0031 0.0007 2813 MET 513 C -0.0084 0.0018 0.0013 2814 MET 513 O -0.0086 0.0019 0.0015 2815 MET 513 CB -0.0092 0.0024 -0.0014 2816 MET 513 HB2 -0.0091 0.0024 -0.0019 2817 MET 513 HB3 -0.0081 0.0018 -0.0016 2818 MET 513 CG -0.0103 0.0032 -0.0025 2819 MET 513 HG2 -0.0104 0.0032 -0.0021 2820 MET 513 HG3 -0.0113 0.0038 -0.0023 2821 MET 513 SD -0.0097 0.0030 -0.0047 2822 MET 513 CE -0.0112 0.0039 -0.0055 2823 MET 513 HE1 -0.0111 0.0040 -0.0068 2824 MET 513 HE2 -0.0112 0.0039 -0.0049 2825 MET 513 HE3 -0.0122 0.0045 -0.0051 2826 LEU 514 N -0.0072 0.0010 0.0017 2827 LEU 514 HN -0.0072 0.0010 0.0015 2828 LEU 514 CA -0.0060 0.0002 0.0025 2829 LEU 514 HA -0.0057 0.0001 0.0018 2830 LEU 514 C -0.0062 0.0002 0.0043 2831 LEU 514 O -0.0057 -0.0001 0.0047 2832 LEU 514 CB -0.0048 -0.0005 0.0022 2833 LEU 514 HB2 -0.0052 -0.0003 0.0023 2834 LEU 514 HB3 -0.0040 -0.0011 0.0031 2835 LEU 514 CG -0.0040 -0.0009 0.0004 2836 LEU 514 HG -0.0032 -0.0013 0.0006 2837 LEU 514 CD1 -0.0048 -0.0002 -0.0011 2838 LEU 514 HD11 -0.0056 0.0003 -0.0013 2839 LEU 514 HD12 -0.0054 0.0001 -0.0010 2840 LEU 514 HD13 -0.0041 -0.0006 -0.0022 2841 LEU 514 CD2 -0.0031 -0.0014 0.0002 2842 LEU 514 HD21 -0.0038 -0.0009 0.0001 2843 LEU 514 HD22 -0.0024 -0.0017 -0.0010 2844 LEU 514 HD23 -0.0024 -0.0019 0.0012 2845 LYS 515 N -0.0069 0.0005 0.0053 2846 LYS 515 HN -0.0073 0.0007 0.0048 2847 LYS 515 CA -0.0073 0.0007 0.0071 2848 LYS 515 HA -0.0064 0.0002 0.0076 2849 LYS 515 C -0.0087 0.0014 0.0073 2850 LYS 515 O -0.0098 0.0020 0.0081 2851 LYS 515 CB -0.0074 0.0007 0.0081 2852 LYS 515 HB2 -0.0063 0.0001 0.0079 2853 LYS 515 HB3 -0.0082 0.0012 0.0074 2854 LYS 515 CG -0.0078 0.0009 0.0100 2855 LYS 515 HG2 -0.0074 0.0007 0.0105 2856 LYS 515 HG3 -0.0090 0.0016 0.0101 2857 LYS 515 CD -0.0072 0.0006 0.0111 2858 LYS 515 HD2 -0.0079 0.0009 0.0108 2859 LYS 515 HD3 -0.0074 0.0007 0.0124 2860 LYS 515 CE -0.0055 -0.0003 0.0109 2861 LYS 515 HE2 -0.0049 -0.0007 0.0107 2862 LYS 515 HE3 -0.0053 -0.0004 0.0098 2863 LYS 515 NZ -0.0050 -0.0006 0.0124 2864 LYS 515 HZ1 -0.0050 -0.0006 0.0134 2865 LYS 515 HZ2 -0.0039 -0.0012 0.0123 2866 LYS 515 HZ3 -0.0057 -0.0002 0.0128 2867 HIS 516 N -0.0086 0.0014 0.0066 2868 HIS 516 HN -0.0076 0.0009 0.0059 2869 HIS 516 CA -0.0097 0.0020 0.0064 2870 HIS 516 HA -0.0104 0.0023 0.0076 2871 HIS 516 C -0.0089 0.0015 0.0063 2872 HIS 516 O -0.0082 0.0012 0.0050 2873 HIS 516 CB -0.0107 0.0025 0.0049 2874 HIS 516 HB2 -0.0102 0.0023 0.0037 2875 HIS 516 HB3 -0.0108 0.0026 0.0047 2876 HIS 516 CG -0.0123 0.0034 0.0049 2877 HIS 516 ND1 -0.0133 0.0039 0.0062 2878 HIS 516 HD1 -0.0131 0.0038 0.0072 2879 HIS 516 CD2 -0.0130 0.0038 0.0038 2880 HIS 516 HD2 -0.0126 0.0036 0.0027 2881 HIS 516 CE1 -0.0146 0.0046 0.0058 2882 HIS 516 HE1 -0.0156 0.0051 0.0066 2883 HIS 516 NE2 -0.0145 0.0045 0.0044 2884 HIS 516 HE2 -0.0152 0.0050 0.0040 2885 THR 517 N -0.0091 0.0016 0.0078 2886 THR 517 HN -0.0098 0.0020 0.0088 2887 THR 517 CA -0.0082 0.0012 0.0079 2888 THR 517 HA -0.0074 0.0007 0.0067 2889 THR 517 C -0.0094 0.0018 0.0076 2890 THR 517 O -0.0101 0.0022 0.0090 2891 THR 517 CB -0.0071 0.0006 0.0095 2892 THR 517 HB -0.0078 0.0011 0.0108 2893 THR 517 OG1 -0.0059 0.0000 0.0096 2894 THR 517 HG1 -0.0053 -0.0002 0.0107 2895 THR 517 CG2 -0.0061 0.0001 0.0095 2896 THR 517 HG21 -0.0053 -0.0003 0.0083 2897 THR 517 HG22 -0.0069 0.0005 0.0096 2898 THR 517 HG23 -0.0052 -0.0002 0.0107 2899 PRO 518 N -0.0096 0.0018 0.0060 2900 PRO 518 CA -0.0106 0.0023 0.0057 2901 PRO 518 HA -0.0117 0.0029 0.0065 2902 PRO 518 C -0.0097 0.0019 0.0063 2903 PRO 518 O -0.0085 0.0012 0.0054 2904 PRO 518 CB -0.0110 0.0024 0.0037 2905 PRO 518 HB2 -0.0112 0.0025 0.0031 2906 PRO 518 HB3 -0.0122 0.0031 0.0035 2907 PRO 518 CG -0.0097 0.0017 0.0028 2908 PRO 518 HG2 -0.0101 0.0019 0.0015 2909 PRO 518 HG3 -0.0087 0.0012 0.0025 2910 PRO 518 CD -0.0092 0.0015 0.0042 2911 PRO 518 HD2 -0.0099 0.0019 0.0040 2912 PRO 518 HD3 -0.0079 0.0008 0.0042 2913 VAL 519 N -0.0104 0.0022 0.0079 2914 VAL 519 HN -0.0114 0.0028 0.0086 2915 VAL 519 CA -0.0100 0.0021 0.0086 2916 VAL 519 HA -0.0099 0.0019 0.0072 2917 VAL 519 C -0.0116 0.0030 0.0096 2918 VAL 519 CB -0.0082 0.0013 0.0096 2919 VAL 519 HB -0.0072 0.0007 0.0086 2920 VAL 519 CG1 -0.0078 0.0012 0.0099 2921 VAL 519 HG11 -0.0088 0.0018 0.0110 2922 VAL 519 HG12 -0.0065 0.0006 0.0105 2923 VAL 519 HG13 -0.0080 0.0011 0.0086 2924 VAL 519 CG2 -0.0079 0.0014 0.0115 2925 VAL 519 HG21 -0.0089 0.0020 0.0126 2926 VAL 519 HG22 -0.0078 0.0013 0.0112 2927 VAL 519 HG23 -0.0066 0.0009 0.0123 2928 VAL 519 O -0.0123 0.0035 0.0109 2929 GLU 520 N -0.0122 0.0032 0.0089 2930 GLU 520 HN -0.0114 0.0027 0.0081 2931 GLU 520 CA -0.0139 0.0040 0.0089 2932 GLU 520 HA -0.0141 0.0040 0.0074 2933 GLU 520 C -0.0155 0.0049 0.0096 2934 GLU 520 O -0.0156 0.0051 0.0113 2935 GLU 520 CB -0.0138 0.0041 0.0098 2936 GLU 520 HB2 -0.0124 0.0034 0.0098 2937 GLU 520 HB3 -0.0140 0.0044 0.0114 2938 GLU 520 CG -0.0150 0.0045 0.0088 2939 GLU 520 HG2 -0.0144 0.0041 0.0074 2940 GLU 520 HG3 -0.0163 0.0051 0.0085 2941 GLU 520 CD -0.0151 0.0047 0.0099 2942 GLU 520 OE1 -0.0137 0.0041 0.0102 2943 GLU 520 OE2 -0.0166 0.0055 0.0105 2944 HIS 521 N -0.0168 0.0054 0.0083 2945 HIS 521 HN -0.0167 0.0051 0.0070 2946 HIS 521 CA -0.0185 0.0062 0.0086 2947 HIS 521 HA -0.0193 0.0064 0.0073 2948 HIS 521 C -0.0182 0.0061 0.0085 2949 HIS 521 O -0.0191 0.0063 0.0073 2950 HIS 521 CB -0.0195 0.0069 0.0104 2951 HIS 521 HB2 -0.0208 0.0075 0.0103 2952 HIS 521 HB3 -0.0188 0.0068 0.0117 2953 HIS 521 CG -0.0196 0.0070 0.0105 2954 HIS 521 ND1 -0.0209 0.0075 0.0095 2955 HIS 521 HD1 -0.0219 0.0078 0.0087 2956 HIS 521 CD2 -0.0185 0.0066 0.0114 2957 HIS 521 HD2 -0.0172 0.0061 0.0122 2958 HIS 521 CE1 -0.0205 0.0073 0.0098 2959 HIS 521 HE1 -0.0212 0.0076 0.0092 2960 HIS 521 NE2 -0.0190 0.0068 0.0109 2961 HIS 521 HE2 -0.0181 0.0064 0.0109 2962 GLU 522 N -0.0171 0.0057 0.0098 2963 GLU 522 HN -0.0164 0.0055 0.0108 2964 GLU 522 CA -0.0168 0.0056 0.0100 2965 GLU 522 HA -0.0181 0.0062 0.0098 2966 GLU 522 C -0.0156 0.0048 0.0086 2967 GLU 522 O -0.0141 0.0041 0.0085 2968 GLU 522 CB -0.0160 0.0055 0.0121 2969 GLU 522 HB2 -0.0147 0.0049 0.0121 2970 GLU 522 HB3 -0.0159 0.0055 0.0122 2971 GLU 522 CG -0.0168 0.0062 0.0139 2972 GLU 522 HG2 -0.0173 0.0064 0.0137 2973 GLU 522 HG3 -0.0180 0.0068 0.0143 2974 GLU 522 CD -0.0154 0.0057 0.0155 2975 GLU 522 OE1 -0.0149 0.0055 0.0162 2976 GLU 522 OE2 -0.0148 0.0055 0.0161 2977 ASP 523 N -0.0159 0.0050 0.0077 2978 ASP 523 HN -0.0171 0.0055 0.0074 2979 ASP 523 CA -0.0149 0.0044 0.0068 2980 ASP 523 HA -0.0136 0.0038 0.0068 2981 ASP 523 C -0.0148 0.0045 0.0080 2982 ASP 523 O -0.0156 0.0048 0.0077 2983 ASP 523 CB -0.0154 0.0045 0.0048 2984 ASP 523 HB2 -0.0154 0.0044 0.0040 2985 ASP 523 HB3 -0.0145 0.0040 0.0041 2986 ASP 523 CG -0.0171 0.0053 0.0045 2987 ASP 523 OD1 -0.0183 0.0059 0.0052 2988 ASP 523 OD2 -0.0172 0.0052 0.0035 2989 ARG 524 N -0.0137 0.0041 0.0096 2990 ARG 524 HN -0.0130 0.0038 0.0097 2991 ARG 524 CA -0.0138 0.0043 0.0111 2992 ARG 524 HA -0.0151 0.0049 0.0112 2993 ARG 524 C -0.0130 0.0039 0.0109 2994 ARG 524 O -0.0116 0.0031 0.0102 2995 ARG 524 CB -0.0133 0.0042 0.0130 2996 ARG 524 HB2 -0.0135 0.0044 0.0141 2997 ARG 524 HB3 -0.0141 0.0046 0.0131 2998 ARG 524 CG -0.0115 0.0033 0.0131 2999 ARG 524 HG2 -0.0107 0.0030 0.0133 3000 ARG 524 HG3 -0.0111 0.0031 0.0119 3001 ARG 524 CD -0.0111 0.0033 0.0148 3002 ARG 524 HD2 -0.0115 0.0036 0.0161 3003 ARG 524 HD3 -0.0097 0.0027 0.0149 3004 ARG 524 NE -0.0120 0.0037 0.0146 3005 ARG 524 HE -0.0131 0.0043 0.0153 3006 ARG 524 CZ -0.0115 0.0034 0.0136 3007 ARG 524 NH1 -0.0105 0.0028 0.0122 3008 ARG 524 HH11 -0.0103 0.0027 0.0116 3009 ARG 524 HH12 -0.0102 0.0026 0.0115 3010 ARG 524 NH2 -0.0121 0.0037 0.0139 3011 ARG 524 HH21 -0.0131 0.0042 0.0148 3012 ARG 524 HH22 -0.0121 0.0036 0.0129 3013 GLU 525 N -0.0134 0.0042 0.0111 3014 GLU 525 HN -0.0143 0.0047 0.0115 3015 GLU 525 CA -0.0130 0.0039 0.0115 3016 GLU 525 HA -0.0122 0.0035 0.0106 3017 GLU 525 C -0.0125 0.0036 0.0132 3018 GLU 525 O -0.0127 0.0036 0.0143 3019 GLU 525 CB -0.0143 0.0047 0.0113 3020 GLU 525 HB2 -0.0152 0.0052 0.0121 3021 GLU 525 HB3 -0.0140 0.0045 0.0117 3022 GLU 525 CG -0.0149 0.0051 0.0096 3023 GLU 525 HG2 -0.0154 0.0054 0.0092 3024 GLU 525 HG3 -0.0140 0.0046 0.0087 3025 GLU 525 CD -0.0159 0.0057 0.0095 3026 GLU 525 OE1 -0.0162 0.0058 0.0106 3027 GLU 525 OE2 -0.0165 0.0060 0.0081 3028 ARG 526 N -0.0117 0.0031 0.0135 3029 ARG 526 HN -0.0115 0.0030 0.0126 3030 ARG 526 CA -0.0114 0.0029 0.0151 3031 ARG 526 HA -0.0122 0.0033 0.0160 3032 ARG 526 C -0.0114 0.0029 0.0152 3033 ARG 526 O -0.0125 0.0035 0.0158 3034 ARG 526 CB -0.0099 0.0020 0.0157 3035 ARG 526 HB2 -0.0101 0.0021 0.0158 3036 ARG 526 HB3 -0.0091 0.0016 0.0148 3037 ARG 526 CG -0.0094 0.0017 0.0174 3038 ARG 526 HG2 -0.0103 0.0022 0.0183 3039 ARG 526 HG3 -0.0091 0.0015 0.0173 3040 ARG 526 CD -0.0082 0.0009 0.0181 3041 ARG 526 HD2 -0.0074 0.0005 0.0171 3042 ARG 526 HD3 -0.0085 0.0011 0.0186 3043 ARG 526 NE -0.0074 0.0004 0.0193 3044 ARG 526 HE -0.0065 -0.0000 0.0188 3045 ARG 526 CZ -0.0076 0.0006 0.0209 3046 ARG 526 NH1 -0.0087 0.0012 0.0216 3047 ARG 526 HH11 -0.0093 0.0015 0.0210 3048 ARG 526 HH12 -0.0088 0.0012 0.0228 3049 ARG 526 NH2 -0.0068 0.0000 0.0217 3050 ARG 526 HH21 -0.0059 -0.0004 0.0212 3051 ARG 526 HH22 -0.0070 0.0001 0.0229 3052 LEU 527 N -0.0102 0.0022 0.0145 3053 LEU 527 HN -0.0094 0.0017 0.0141 3054 LEU 527 CA -0.0102 0.0022 0.0145 3055 LEU 527 HA -0.0107 0.0025 0.0156 3056 LEU 527 C -0.0110 0.0027 0.0131 3057 LEU 527 O -0.0112 0.0028 0.0132 3058 LEU 527 CB -0.0086 0.0013 0.0145 3059 LEU 527 HB2 -0.0079 0.0009 0.0140 3060 LEU 527 HB3 -0.0085 0.0012 0.0137 3061 LEU 527 CG -0.0081 0.0009 0.0162 3062 LEU 527 HG -0.0070 0.0002 0.0160 3063 LEU 527 CD1 -0.0089 0.0013 0.0169 3064 LEU 527 HD11 -0.0100 0.0020 0.0171 3065 LEU 527 HD12 -0.0088 0.0013 0.0160 3066 LEU 527 HD13 -0.0084 0.0010 0.0180 3067 LEU 527 CD2 -0.0081 0.0008 0.0175 3068 LEU 527 HD21 -0.0091 0.0015 0.0178 3069 LEU 527 HD22 -0.0076 0.0005 0.0186 3070 LEU 527 HD23 -0.0074 0.0005 0.0170 3071 LEU 528 N -0.0114 0.0030 0.0118 3072 LEU 528 HN -0.0112 0.0029 0.0118 3073 LEU 528 CA -0.0122 0.0035 0.0104 3074 LEU 528 HA -0.0115 0.0031 0.0096 3075 LEU 528 C -0.0133 0.0042 0.0108 3076 LEU 528 O -0.0134 0.0042 0.0099 3077 LEU 528 CB -0.0130 0.0040 0.0096 3078 LEU 528 HB2 -0.0124 0.0036 0.0099 3079 LEU 528 HB3 -0.0140 0.0046 0.0102 3080 LEU 528 CG -0.0132 0.0042 0.0077 3081 LEU 528 HG -0.0139 0.0046 0.0075 3082 LEU 528 CD1 -0.0138 0.0046 0.0070 3083 LEU 528 HD11 -0.0130 0.0041 0.0071 3084 LEU 528 HD12 -0.0147 0.0051 0.0077 3085 LEU 528 HD13 -0.0141 0.0048 0.0058 3086 LEU 528 CD2 -0.0118 0.0034 0.0068 3087 LEU 528 HD21 -0.0110 0.0029 0.0070 3088 LEU 528 HD22 -0.0121 0.0036 0.0055 3089 LEU 528 HD23 -0.0115 0.0032 0.0072 3090 ARG 529 N -0.0142 0.0046 0.0120 3091 ARG 529 HN -0.0141 0.0046 0.0127 3092 ARG 529 CA -0.0151 0.0051 0.0128 3093 ARG 529 HA -0.0160 0.0056 0.0120 3094 ARG 529 C -0.0144 0.0047 0.0128 3095 ARG 529 O -0.0152 0.0052 0.0123 3096 ARG 529 CB -0.0156 0.0054 0.0146 3097 ARG 529 HB2 -0.0163 0.0058 0.0151 3098 ARG 529 HB3 -0.0162 0.0057 0.0144 3099 ARG 529 CG -0.0144 0.0047 0.0159 3100 ARG 529 HG2 -0.0138 0.0044 0.0162 3101 ARG 529 HG3 -0.0135 0.0042 0.0152 3102 ARG 529 CD -0.0149 0.0049 0.0174 3103 ARG 529 HD2 -0.0139 0.0044 0.0180 3104 ARG 529 HD3 -0.0156 0.0053 0.0170 3105 ARG 529 NE -0.0157 0.0054 0.0186 3106 ARG 529 HE -0.0151 0.0051 0.0189 3107 ARG 529 CZ -0.0170 0.0061 0.0193 3108 ARG 529 NH1 -0.0178 0.0066 0.0189 3109 ARG 529 HH11 -0.0174 0.0064 0.0182 3110 ARG 529 HH12 -0.0187 0.0071 0.0196 3111 ARG 529 NH2 -0.0175 0.0064 0.0204 3112 ARG 529 HH21 -0.0169 0.0060 0.0208 3113 ARG 529 HH22 -0.0185 0.0069 0.0208 3114 ALA 530 N -0.0131 0.0040 0.0133 3115 ALA 530 HN -0.0125 0.0036 0.0136 3116 ALA 530 CA -0.0122 0.0035 0.0132 3117 ALA 530 HA -0.0129 0.0039 0.0136 3118 ALA 530 C -0.0118 0.0033 0.0114 3119 ALA 530 O -0.0119 0.0033 0.0108 3120 ALA 530 CB -0.0109 0.0027 0.0143 3121 ALA 530 HB1 -0.0101 0.0023 0.0140 3122 ALA 530 HB2 -0.0112 0.0029 0.0156 3123 ALA 530 HB3 -0.0103 0.0024 0.0142 3124 GLN 531 N -0.0112 0.0031 0.0105 3125 GLN 531 HN -0.0111 0.0030 0.0110 3126 GLN 531 CA -0.0108 0.0029 0.0088 3127 GLN 531 HA -0.0101 0.0025 0.0088 3128 GLN 531 C -0.0120 0.0036 0.0078 3129 GLN 531 O -0.0118 0.0035 0.0069 3130 GLN 531 CB -0.0101 0.0025 0.0081 3131 GLN 531 HB2 -0.0109 0.0030 0.0078 3132 GLN 531 HB3 -0.0097 0.0022 0.0069 3133 GLN 531 CG -0.0090 0.0018 0.0091 3134 GLN 531 HG2 -0.0095 0.0021 0.0101 3135 GLN 531 HG3 -0.0084 0.0015 0.0098 3136 GLN 531 CD -0.0080 0.0012 0.0082 3137 GLN 531 OE1 -0.0084 0.0015 0.0070 3138 GLN 531 NE2 -0.0067 0.0005 0.0086 3139 GLN 531 HE21 -0.0060 0.0001 0.0080 3140 GLN 531 HE22 -0.0064 0.0003 0.0096 3141 ARG 532 N -0.0132 0.0043 0.0079 3142 ARG 532 HN -0.0133 0.0043 0.0086 3143 ARG 532 CA -0.0146 0.0051 0.0073 3144 ARG 532 HA -0.0145 0.0050 0.0060 3145 ARG 532 C -0.0149 0.0053 0.0077 3146 ARG 532 O -0.0152 0.0054 0.0065 3147 ARG 532 CB -0.0157 0.0057 0.0079 3148 ARG 532 HB2 -0.0152 0.0054 0.0078 3149 ARG 532 HB3 -0.0159 0.0058 0.0092 3150 ARG 532 CG -0.0170 0.0065 0.0070 3151 ARG 532 HG2 -0.0169 0.0065 0.0058 3152 ARG 532 HG3 -0.0178 0.0070 0.0076 3153 ARG 532 CD -0.0175 0.0068 0.0067 3154 ARG 532 HD2 -0.0167 0.0064 0.0059 3155 ARG 532 HD3 -0.0185 0.0074 0.0060 3156 ARG 532 NE -0.0177 0.0069 0.0082 3157 ARG 532 HE -0.0178 0.0070 0.0092 3158 ARG 532 CZ -0.0173 0.0067 0.0085 3159 ARG 532 NH1 -0.0170 0.0065 0.0073 3160 ARG 532 HH11 -0.0173 0.0067 0.0062 3161 ARG 532 HH12 -0.0167 0.0063 0.0076 3162 ARG 532 NH2 -0.0171 0.0065 0.0100 3163 ARG 532 HH21 -0.0173 0.0067 0.0109 3164 ARG 532 HH22 -0.0167 0.0063 0.0101 3165 HIS 533 N -0.0146 0.0051 0.0090 3166 HIS 533 HN -0.0144 0.0049 0.0098 3167 HIS 533 CA -0.0148 0.0052 0.0095 3168 HIS 533 HA -0.0159 0.0058 0.0092 3169 HIS 533 C -0.0139 0.0048 0.0086 3170 HIS 533 O -0.0145 0.0051 0.0080 3171 HIS 533 CB -0.0147 0.0050 0.0113 3172 HIS 533 HB2 -0.0146 0.0049 0.0115 3173 HIS 533 HB3 -0.0137 0.0044 0.0117 3174 HIS 533 CG -0.0158 0.0055 0.0124 3175 HIS 533 ND1 -0.0171 0.0062 0.0125 3176 HIS 533 HD1 -0.0174 0.0064 0.0118 3177 HIS 533 CD2 -0.0159 0.0055 0.0135 3178 HIS 533 HD2 -0.0151 0.0050 0.0138 3179 HIS 533 CE1 -0.0179 0.0066 0.0136 3180 HIS 533 HE1 -0.0189 0.0071 0.0140 3181 HIS 533 NE2 -0.0172 0.0061 0.0143 3182 HIS 533 HE2 -0.0175 0.0063 0.0152 3183 ILE 534 N -0.0126 0.0040 0.0086 3184 ILE 534 HN -0.0121 0.0037 0.0091 3185 ILE 534 CA -0.0116 0.0035 0.0077 3186 ILE 534 HA -0.0120 0.0037 0.0080 3187 ILE 534 C -0.0116 0.0037 0.0059 3188 ILE 534 O -0.0114 0.0036 0.0052 3189 ILE 534 CB -0.0102 0.0027 0.0085 3190 ILE 534 HB -0.0099 0.0025 0.0088 3191 ILE 534 CG1 -0.0102 0.0026 0.0100 3192 ILE 534 HG12 -0.0092 0.0020 0.0103 3193 ILE 534 HG13 -0.0109 0.0030 0.0099 3194 ILE 534 CG2 -0.0089 0.0021 0.0074 3195 ILE 534 HG21 -0.0091 0.0022 0.0069 3196 ILE 534 HG22 -0.0088 0.0021 0.0064 3197 ILE 534 HG23 -0.0079 0.0015 0.0080 3198 ILE 534 CD1 -0.0107 0.0027 0.0115 3199 ILE 534 HD11 -0.0103 0.0025 0.0114 3200 ILE 534 HD12 -0.0119 0.0034 0.0116 3201 ILE 534 HD13 -0.0103 0.0024 0.0126 3202 HIS 535 N -0.0118 0.0042 0.0052 3203 HIS 535 HN -0.0118 0.0041 0.0058 3204 HIS 535 CA -0.0122 0.0045 0.0037 3205 HIS 535 HA -0.0114 0.0040 0.0030 3206 HIS 535 C -0.0133 0.0052 0.0033 3207 HIS 535 O -0.0133 0.0052 0.0022 3208 HIS 535 CB -0.0124 0.0046 0.0031 3209 HIS 535 HB2 -0.0133 0.0051 0.0036 3210 HIS 535 HB3 -0.0116 0.0041 0.0034 3211 HIS 535 CG -0.0125 0.0048 0.0014 3212 HIS 535 ND1 -0.0115 0.0042 0.0005 3213 HIS 535 HD1 -0.0106 0.0036 0.0007 3214 HIS 535 CD2 -0.0136 0.0054 0.0006 3215 HIS 535 HD2 -0.0146 0.0060 0.0009 3216 HIS 535 CE1 -0.0119 0.0045 -0.0009 3217 HIS 535 HE1 -0.0113 0.0041 -0.0019 3218 HIS 535 NE2 -0.0132 0.0052 -0.0009 3219 HIS 535 HE2 -0.0137 0.0056 -0.0018 3220 CYS 536 N -0.0144 0.0058 0.0043 3221 CYS 536 HN -0.0144 0.0058 0.0051 3222 CYS 536 CA -0.0155 0.0064 0.0043 3223 CYS 536 HA -0.0159 0.0067 0.0033 3224 CYS 536 C -0.0150 0.0061 0.0045 3225 CYS 536 O -0.0153 0.0063 0.0036 3226 CYS 536 CB -0.0165 0.0070 0.0056 3227 CYS 536 HB2 -0.0173 0.0074 0.0055 3228 CYS 536 HB3 -0.0161 0.0067 0.0067 3229 CYS 536 SG -0.0173 0.0074 0.0054 3230 CYS 536 HG -0.0179 0.0079 0.0042 3231 LEU 537 N -0.0141 0.0053 0.0054 3232 LEU 537 HN -0.0139 0.0051 0.0062 3233 LEU 537 CA -0.0136 0.0050 0.0057 3234 LEU 537 HA -0.0144 0.0055 0.0058 3235 LEU 537 C -0.0128 0.0047 0.0043 3236 LEU 537 O -0.0131 0.0049 0.0038 3237 LEU 537 CB -0.0128 0.0044 0.0071 3238 LEU 537 HB2 -0.0132 0.0046 0.0079 3239 LEU 537 HB3 -0.0117 0.0039 0.0069 3240 LEU 537 CG -0.0128 0.0044 0.0081 3241 LEU 537 HG -0.0122 0.0039 0.0090 3242 LEU 537 CD1 -0.0123 0.0041 0.0072 3243 LEU 537 HD11 -0.0129 0.0046 0.0063 3244 LEU 537 HD12 -0.0112 0.0036 0.0067 3245 LEU 537 HD13 -0.0122 0.0040 0.0079 3246 LEU 537 CD2 -0.0142 0.0051 0.0088 3247 LEU 537 HD21 -0.0149 0.0055 0.0079 3248 LEU 537 HD22 -0.0142 0.0050 0.0095 3249 LEU 537 HD23 -0.0146 0.0052 0.0094 3250 ALA 538 N -0.0118 0.0042 0.0037 3251 ALA 538 HN -0.0115 0.0041 0.0041 3252 ALA 538 CA -0.0110 0.0040 0.0023 3253 ALA 538 HA -0.0104 0.0036 0.0025 3254 ALA 538 C -0.0118 0.0046 0.0009 3255 ALA 538 O -0.0116 0.0045 0.0001 3256 ALA 538 CB -0.0100 0.0035 0.0019 3257 ALA 538 HB1 -0.0105 0.0038 0.0017 3258 ALA 538 HB2 -0.0094 0.0030 0.0028 3259 ALA 538 HB3 -0.0094 0.0032 0.0009 3260 VAL 539 N -0.0124 0.0058 0.0003 3261 VAL 539 HN -0.0126 0.0060 0.0009 3262 VAL 539 CA -0.0132 0.0060 -0.0007 3263 VAL 539 HA -0.0128 0.0056 -0.0015 3264 VAL 539 C -0.0138 0.0063 -0.0005 3265 VAL 539 O -0.0139 0.0062 -0.0014 3266 VAL 539 CB -0.0141 0.0064 -0.0010 3267 VAL 539 HB -0.0136 0.0062 -0.0010 3268 VAL 539 CG1 -0.0147 0.0064 -0.0023 3269 VAL 539 HG11 -0.0153 0.0067 -0.0024 3270 VAL 539 HG12 -0.0153 0.0067 -0.0025 3271 VAL 539 HG13 -0.0141 0.0060 -0.0030 3272 VAL 539 CG2 -0.0150 0.0070 0.0000 3273 VAL 539 HG21 -0.0155 0.0073 0.0001 3274 VAL 539 HG22 -0.0146 0.0070 0.0009 3275 VAL 539 HG23 -0.0156 0.0073 -0.0003 3276 ALA 540 N -0.0140 0.0067 0.0007 3277 ALA 540 HN -0.0139 0.0067 0.0014 3278 ALA 540 CA -0.0144 0.0069 0.0010 3279 ALA 540 HA -0.0152 0.0072 0.0005 3280 ALA 540 C -0.0137 0.0065 0.0006 3281 ALA 540 O -0.0141 0.0066 -0.0001 3282 ALA 540 CB -0.0145 0.0072 0.0024 3283 ALA 540 HB1 -0.0136 0.0069 0.0030 3284 ALA 540 HB2 -0.0151 0.0076 0.0027 3285 ALA 540 HB3 -0.0148 0.0075 0.0027 3286 ILE 541 N -0.0130 0.0056 0.0009 3287 ILE 541 HN -0.0127 0.0054 0.0014 3288 ILE 541 CA -0.0125 0.0052 0.0007 3289 ILE 541 HA -0.0128 0.0055 0.0011 3290 ILE 541 C -0.0125 0.0053 -0.0006 3291 ILE 541 O -0.0127 0.0055 -0.0009 3292 ILE 541 CB -0.0114 0.0045 0.0011 3293 ILE 541 HB -0.0111 0.0043 0.0006 3294 ILE 541 CG1 -0.0114 0.0045 0.0024 3295 ILE 541 HG12 -0.0116 0.0046 0.0029 3296 ILE 541 HG13 -0.0119 0.0048 0.0026 3297 ILE 541 CG2 -0.0109 0.0042 0.0009 3298 ILE 541 HG21 -0.0112 0.0044 0.0013 3299 ILE 541 HG22 -0.0109 0.0042 -0.0000 3300 ILE 541 HG23 -0.0101 0.0037 0.0011 3301 ILE 541 CD1 -0.0104 0.0038 0.0028 3302 ILE 541 HD11 -0.0099 0.0034 0.0026 3303 ILE 541 HD12 -0.0102 0.0037 0.0023 3304 ILE 541 HD13 -0.0104 0.0038 0.0037 3305 ASN 542 N -0.0122 0.0052 -0.0013 3306 ASN 542 HN -0.0120 0.0050 -0.0010 3307 ASN 542 CA -0.0123 0.0053 -0.0026 3308 ASN 542 HA -0.0118 0.0050 -0.0028 3309 ASN 542 C -0.0133 0.0060 -0.0030 3310 ASN 542 O -0.0133 0.0060 -0.0037 3311 ASN 542 CB -0.0119 0.0051 -0.0032 3312 ASN 542 HB2 -0.0124 0.0054 -0.0029 3313 ASN 542 HB3 -0.0112 0.0046 -0.0029 3314 ASN 542 CG -0.0119 0.0051 -0.0045 3315 ASN 542 OD1 -0.0114 0.0048 -0.0050 3316 ASN 542 ND2 -0.0125 0.0055 -0.0050 3317 ASN 542 HD21 -0.0125 0.0056 -0.0059 3318 ASN 542 HD22 -0.0129 0.0058 -0.0046 3319 GLN 543 N -0.0143 0.0069 -0.0029 3320 GLN 543 HN -0.0144 0.0072 -0.0032 3321 GLN 543 CA -0.0137 0.0066 -0.0027 3322 GLN 543 HA -0.0139 0.0064 -0.0024 3323 GLN 543 C -0.0132 0.0065 -0.0027 3324 GLN 543 O -0.0130 0.0061 -0.0023 3325 GLN 543 CB -0.0135 0.0069 -0.0031 3326 GLN 543 HB2 -0.0139 0.0071 -0.0032 3327 GLN 543 HB3 -0.0132 0.0071 -0.0035 3328 GLN 543 CG -0.0131 0.0066 -0.0029 3329 GLN 543 HG2 -0.0130 0.0068 -0.0032 3330 GLN 543 HG3 -0.0134 0.0064 -0.0025 3331 GLN 543 CD -0.0124 0.0063 -0.0028 3332 GLN 543 OE1 -0.0123 0.0059 -0.0023 3333 GLN 543 NE2 -0.0120 0.0065 -0.0032 3334 GLN 543 HE21 -0.0115 0.0063 -0.0031 3335 GLN 543 HE22 -0.0121 0.0068 -0.0035 3336 HIS 544 N -0.0130 0.0067 -0.0031 3337 HIS 544 HN -0.0132 0.0070 -0.0034 3338 HIS 544 CA -0.0126 0.0066 -0.0031 3339 HIS 544 HA -0.0121 0.0064 -0.0030 3340 HIS 544 C -0.0128 0.0063 -0.0027 3341 HIS 544 O -0.0124 0.0060 -0.0024 3342 HIS 544 CB -0.0123 0.0070 -0.0036 3343 HIS 544 HB2 -0.0126 0.0071 -0.0037 3344 HIS 544 HB3 -0.0125 0.0073 -0.0039 3345 HIS 544 CG -0.0116 0.0069 -0.0038 3346 HIS 544 ND1 -0.0113 0.0067 -0.0037 3347 HIS 544 HD1 -0.0115 0.0067 -0.0035 3348 HIS 544 CD2 -0.0112 0.0070 -0.0040 3349 HIS 544 HD2 -0.0112 0.0072 -0.0042 3350 HIS 544 CE1 -0.0107 0.0067 -0.0038 3351 HIS 544 HE1 -0.0103 0.0066 -0.0038 3352 HIS 544 NE2 -0.0106 0.0069 -0.0041 3353 HIS 544 HE2 -0.0101 0.0069 -0.0043 3354 LYS 545 N -0.0122 0.0058 -0.0019 3355 LYS 545 HN -0.0121 0.0058 -0.0019 3356 LYS 545 CA -0.0120 0.0055 -0.0022 3357 LYS 545 HA -0.0119 0.0054 -0.0020 3358 LYS 545 C -0.0122 0.0056 -0.0025 3359 LYS 545 O -0.0121 0.0055 -0.0025 3360 LYS 545 CB -0.0119 0.0053 -0.0023 3361 LYS 545 HB2 -0.0117 0.0053 -0.0021 3362 LYS 545 HB3 -0.0120 0.0054 -0.0025 3363 LYS 545 CG -0.0117 0.0050 -0.0025 3364 LYS 545 HG2 -0.0117 0.0050 -0.0027 3365 LYS 545 HG3 -0.0115 0.0048 -0.0024 3366 LYS 545 CD -0.0117 0.0049 -0.0029 3367 LYS 545 HD2 -0.0117 0.0049 -0.0028 3368 LYS 545 HD3 -0.0115 0.0046 -0.0029 3369 LYS 545 CE -0.0119 0.0049 -0.0032 3370 LYS 545 HE2 -0.0119 0.0047 -0.0035 3371 LYS 545 HE3 -0.0119 0.0049 -0.0033 3372 LYS 545 NZ -0.0122 0.0052 -0.0033 3373 LYS 545 HZ1 -0.0122 0.0052 -0.0033 3374 LYS 545 HZ2 -0.0124 0.0053 -0.0035 3375 LYS 545 HZ3 -0.0122 0.0054 -0.0030 3376 ASP 546 N -0.0124 0.0057 -0.0027 3377 ASP 546 HN -0.0125 0.0058 -0.0027 3378 ASP 546 CA -0.0126 0.0058 -0.0030 3379 ASP 546 HA -0.0125 0.0056 -0.0032 3380 ASP 546 C -0.0127 0.0060 -0.0029 3381 ASP 546 O -0.0127 0.0059 -0.0030 3382 ASP 546 CB -0.0128 0.0059 -0.0033 3383 ASP 546 HB2 -0.0130 0.0061 -0.0034 3384 ASP 546 HB3 -0.0128 0.0059 -0.0032 3385 ASP 546 CG -0.0128 0.0057 -0.0037 3386 ASP 546 OD1 -0.0126 0.0054 -0.0037 3387 ASP 546 OD2 -0.0129 0.0057 -0.0039 3388 GLY 547 N -0.0117 0.0057 -0.0023 3389 GLY 547 HN -0.0118 0.0058 -0.0027 3390 GLY 547 CA -0.0111 0.0057 -0.0023 3391 GLY 547 HA2 -0.0108 0.0056 -0.0021 3392 GLY 547 HA3 -0.0109 0.0059 -0.0027 3393 GLY 547 C -0.0110 0.0055 -0.0020 3394 GLY 547 O -0.0107 0.0053 -0.0016 3395 SER 548 N -0.0113 0.0056 -0.0022 3396 SER 548 HN -0.0115 0.0057 -0.0025 3397 SER 548 CA -0.0113 0.0055 -0.0019 3398 SER 548 HA -0.0109 0.0055 -0.0020 3399 SER 548 C -0.0114 0.0052 -0.0014 3400 SER 548 O -0.0110 0.0050 -0.0011 3401 SER 548 CB -0.0118 0.0056 -0.0022 3402 SER 548 HB2 -0.0123 0.0055 -0.0021 3403 SER 548 HB3 -0.0118 0.0058 -0.0027 3404 SER 548 OG -0.0117 0.0056 -0.0021 3405 SER 548 HG -0.0120 0.0054 -0.0018 3406 GLU 549 N -0.0109 0.0051 -0.0017 3407 GLU 549 HN -0.0113 0.0053 -0.0018 3408 GLU 549 CA -0.0111 0.0047 -0.0010 3409 GLU 549 HA -0.0110 0.0047 -0.0011 3410 GLU 549 C -0.0106 0.0043 -0.0006 3411 GLU 549 O -0.0103 0.0039 -0.0003 3412 GLU 549 CB -0.0119 0.0049 -0.0007 3413 GLU 549 HB2 -0.0122 0.0052 -0.0011 3414 GLU 549 HB3 -0.0119 0.0048 -0.0005 3415 GLU 549 CG -0.0122 0.0047 -0.0001 3416 GLU 549 HG2 -0.0127 0.0048 -0.0000 3417 GLU 549 HG3 -0.0120 0.0047 -0.0003 3418 GLU 549 CD -0.0119 0.0042 0.0005 3419 GLU 549 OE1 -0.0120 0.0040 0.0008 3420 GLU 549 OE2 -0.0116 0.0039 0.0007 3421 GLN 550 N -0.0105 0.0042 -0.0007 3422 GLN 550 HN -0.0107 0.0045 -0.0009 3423 GLN 550 CA -0.0100 0.0038 -0.0004 3424 GLN 550 HA -0.0101 0.0036 0.0001 3425 GLN 550 C -0.0092 0.0036 -0.0006 3426 GLN 550 O -0.0088 0.0032 -0.0002 3427 GLN 550 CB -0.0101 0.0039 -0.0005 3428 GLN 550 HB2 -0.0100 0.0042 -0.0010 3429 GLN 550 HB3 -0.0097 0.0036 -0.0003 3430 GLN 550 CG -0.0107 0.0040 -0.0002 3431 GLN 550 HG2 -0.0112 0.0044 -0.0003 3432 GLN 550 HG3 -0.0109 0.0038 0.0004 3433 GLN 550 CD -0.0107 0.0041 -0.0002 3434 GLN 550 OE1 -0.0102 0.0038 -0.0002 3435 GLN 550 NE2 -0.0113 0.0044 -0.0004 3436 GLN 550 HE21 -0.0113 0.0044 -0.0004 3437 GLN 550 HE22 -0.0118 0.0046 -0.0004 3438 MET 551 N -0.0087 0.0037 -0.0005 3439 MET 551 HN -0.0092 0.0041 -0.0010 3440 MET 551 CA -0.0080 0.0036 -0.0008 3441 MET 551 HA -0.0074 0.0033 -0.0006 3442 MET 551 C -0.0083 0.0035 -0.0004 3443 MET 551 O -0.0076 0.0032 0.0000 3444 MET 551 CB -0.0079 0.0040 -0.0020 3445 MET 551 HB2 -0.0076 0.0039 -0.0022 3446 MET 551 HB3 -0.0086 0.0043 -0.0022 3447 MET 551 CG -0.0073 0.0039 -0.0025 3448 MET 551 HG2 -0.0075 0.0042 -0.0033 3449 MET 551 HG3 -0.0075 0.0039 -0.0022 3450 MET 551 SD -0.0060 0.0034 -0.0025 3451 MET 551 CE -0.0058 0.0037 -0.0035 3452 MET 551 HE1 -0.0050 0.0034 -0.0036 3453 MET 551 HE2 -0.0063 0.0038 -0.0033 3454 MET 551 HE3 -0.0059 0.0040 -0.0042 3455 GLU 552 N -0.0092 0.0039 -0.0005 3456 GLU 552 HN -0.0096 0.0042 -0.0008 3457 GLU 552 CA -0.0095 0.0039 -0.0001 3458 GLU 552 HA -0.0091 0.0039 -0.0006 3459 GLU 552 C -0.0092 0.0034 0.0009 3460 GLU 552 O -0.0089 0.0033 0.0011 3461 GLU 552 CB -0.0106 0.0043 0.0000 3462 GLU 552 HB2 -0.0110 0.0043 0.0005 3463 GLU 552 HB3 -0.0108 0.0042 0.0003 3464 GLU 552 CG -0.0111 0.0048 -0.0009 3465 GLU 552 HG2 -0.0119 0.0050 -0.0007 3466 GLU 552 HG3 -0.0110 0.0049 -0.0013 3467 GLU 552 CD -0.0108 0.0050 -0.0017 3468 GLU 552 OE1 -0.0112 0.0054 -0.0025 3469 GLU 552 OE2 -0.0102 0.0047 -0.0016 3470 GLN 553 N -0.0087 0.0021 0.0019 3471 GLN 553 HN -0.0089 0.0022 0.0014 3472 GLN 553 CA -0.0083 0.0020 0.0029 3473 GLN 553 HA -0.0087 0.0019 0.0035 3474 GLN 553 C -0.0071 0.0020 0.0031 3475 GLN 553 O -0.0067 0.0018 0.0040 3476 GLN 553 CB -0.0088 0.0019 0.0034 3477 GLN 553 HB2 -0.0085 0.0020 0.0029 3478 GLN 553 HB3 -0.0086 0.0018 0.0042 3479 GLN 553 CG -0.0101 0.0019 0.0033 3480 GLN 553 HG2 -0.0104 0.0020 0.0025 3481 GLN 553 HG3 -0.0104 0.0018 0.0037 3482 GLN 553 CD -0.0106 0.0018 0.0038 3483 GLN 553 OE1 -0.0109 0.0016 0.0048 3484 GLN 553 NE2 -0.0108 0.0019 0.0032 3485 GLN 553 HE21 -0.0110 0.0018 0.0036 3486 GLN 553 HE22 -0.0111 0.0020 0.0024 3487 ARG 554 N -0.0064 0.0021 0.0024 3488 ARG 554 HN -0.0067 0.0022 0.0017 3489 ARG 554 CA -0.0053 0.0021 0.0025 3490 ARG 554 HA -0.0050 0.0020 0.0030 3491 ARG 554 C -0.0050 0.0020 0.0032 3492 ARG 554 O -0.0055 0.0020 0.0030 3493 ARG 554 CB -0.0046 0.0023 0.0015 3494 ARG 554 HB2 -0.0037 0.0022 0.0017 3495 ARG 554 HB3 -0.0048 0.0023 0.0011 3496 ARG 554 CG -0.0046 0.0024 0.0007 3497 ARG 554 HG2 -0.0044 0.0023 0.0011 3498 ARG 554 HG3 -0.0055 0.0024 0.0004 3499 ARG 554 CD -0.0040 0.0026 -0.0004 3500 ARG 554 HD2 -0.0044 0.0027 -0.0010 3501 ARG 554 HD3 -0.0040 0.0026 -0.0007 3502 ARG 554 NE -0.0028 0.0026 -0.0003 3503 ARG 554 HE -0.0025 0.0026 -0.0005 3504 ARG 554 CZ -0.0019 0.0025 0.0001 3505 ARG 554 NH1 -0.0020 0.0025 0.0005 3506 ARG 554 HH11 -0.0028 0.0025 0.0005 3507 ARG 554 HH12 -0.0014 0.0025 0.0007 3508 ARG 554 NH2 -0.0010 0.0026 -0.0001 3509 ARG 554 HH21 -0.0011 0.0026 -0.0004 3510 ARG 554 HH22 -0.0003 0.0025 0.0002 3511 LEU 555 N -0.0041 0.0018 0.0045 3512 LEU 555 HN -0.0036 0.0017 0.0047 3513 LEU 555 CA -0.0037 0.0017 0.0053 3514 LEU 555 HA -0.0041 0.0018 0.0049 3515 LEU 555 C -0.0023 0.0015 0.0052 3516 LEU 555 O -0.0017 0.0015 0.0047 3517 LEU 555 CB -0.0041 0.0015 0.0066 3518 LEU 555 HB2 -0.0047 0.0016 0.0065 3519 LEU 555 HB3 -0.0033 0.0013 0.0071 3520 LEU 555 CG -0.0047 0.0014 0.0073 3521 LEU 555 HG -0.0055 0.0016 0.0067 3522 LEU 555 CD1 -0.0052 0.0013 0.0084 3523 LEU 555 HD11 -0.0045 0.0011 0.0090 3524 LEU 555 HD12 -0.0058 0.0014 0.0083 3525 LEU 555 HD13 -0.0057 0.0013 0.0089 3526 LEU 555 CD2 -0.0040 0.0013 0.0074 3527 LEU 555 HD21 -0.0031 0.0012 0.0079 3528 LEU 555 HD22 -0.0044 0.0013 0.0080 3529 LEU 555 HD23 -0.0038 0.0015 0.0066 3530 ARG 556 N -0.0019 0.0014 0.0056 3531 ARG 556 HN -0.0025 0.0014 0.0058 3532 ARG 556 CA -0.0007 0.0013 0.0057 3533 ARG 556 HA -0.0007 0.0012 0.0060 3534 ARG 556 C 0.0001 0.0014 0.0045 3535 ARG 556 O 0.0011 0.0013 0.0046 3536 ARG 556 CB -0.0000 0.0011 0.0066 3537 ARG 556 HB2 -0.0002 0.0011 0.0063 3538 ARG 556 HB3 0.0009 0.0010 0.0065 3539 ARG 556 CG -0.0004 0.0009 0.0079 3540 ARG 556 HG2 0.0001 0.0008 0.0084 3541 ARG 556 HG3 -0.0013 0.0010 0.0080 3542 ARG 556 CD -0.0003 0.0008 0.0084 3543 ARG 556 HD2 -0.0005 0.0007 0.0094 3544 ARG 556 HD3 -0.0009 0.0009 0.0080 3545 ARG 556 NE 0.0009 0.0007 0.0083 3546 ARG 556 HE 0.0015 0.0007 0.0077 3547 ARG 556 CZ 0.0014 0.0005 0.0089 3548 ARG 556 NH1 0.0008 0.0005 0.0097 3549 ARG 556 HH11 -0.0000 0.0005 0.0098 3550 ARG 556 HH12 0.0012 0.0004 0.0101 3551 ARG 556 NH2 0.0025 0.0005 0.0087 3552 ARG 556 HH21 0.0030 0.0005 0.0081 3553 ARG 556 HH22 0.0029 0.0004 0.0091 3554 GLU 557 N -0.0006 0.0016 0.0035 3555 GLU 557 HN -0.0015 0.0018 0.0034 3556 GLU 557 CA 0.0000 0.0017 0.0023 3557 GLU 557 HA 0.0009 0.0015 0.0024 3558 GLU 557 C 0.0003 0.0016 0.0021 3559 GLU 557 O -0.0005 0.0018 0.0021 3560 GLU 557 CB -0.0004 0.0019 0.0011 3561 GLU 557 HB2 0.0003 0.0019 0.0004 3562 GLU 557 HB3 -0.0006 0.0019 0.0014 3563 GLU 557 CG -0.0016 0.0022 0.0005 3564 GLU 557 HG2 -0.0017 0.0022 0.0005 3565 GLU 557 HG3 -0.0025 0.0023 0.0010 3566 GLU 557 CD -0.0017 0.0024 -0.0008 3567 GLU 557 OE1 -0.0015 0.0024 -0.0011 3568 GLU 557 OE2 -0.0020 0.0025 -0.0016 3569 ILE 558 N 0.0016 0.0015 0.0020 3570 ILE 558 HN 0.0022 0.0014 0.0019 3571 ILE 558 CA 0.0021 0.0014 0.0018 3572 ILE 558 HA 0.0014 0.0015 0.0021 3573 ILE 558 C 0.0023 0.0015 0.0004 3574 ILE 558 O 0.0033 0.0014 -0.0001 3575 ILE 558 CB 0.0033 0.0011 0.0026 3576 ILE 558 HB 0.0040 0.0010 0.0021 3577 ILE 558 CG1 0.0031 0.0009 0.0040 3578 ILE 558 HG12 0.0024 0.0010 0.0045 3579 ILE 558 HG13 0.0028 0.0010 0.0039 3580 ILE 558 CG2 0.0036 0.0010 0.0026 3581 ILE 558 HG21 0.0029 0.0011 0.0031 3582 ILE 558 HG22 0.0038 0.0011 0.0017 3583 ILE 558 HG23 0.0045 0.0008 0.0031 3584 ILE 558 CD1 0.0043 0.0006 0.0047 3585 ILE 558 HD11 0.0047 0.0006 0.0049 3586 ILE 558 HD12 0.0051 0.0006 0.0042 3587 ILE 558 HD13 0.0041 0.0005 0.0056 3588 GLU 559 N 0.0011 0.0018 -0.0004 3589 GLU 559 HN 0.0003 0.0020 -0.0000 3590 GLU 559 CA 0.0012 0.0019 -0.0018 3591 GLU 559 HA 0.0018 0.0019 -0.0023 3592 GLU 559 C -0.0001 0.0023 -0.0025 3593 GLU 559 O -0.0010 0.0024 -0.0020 3594 GLU 559 CB 0.0019 0.0018 -0.0020 3595 GLU 559 HB2 0.0025 0.0016 -0.0011 3596 GLU 559 HB3 0.0011 0.0020 -0.0020 3597 GLU 559 CG 0.0028 0.0017 -0.0032 3598 GLU 559 HG2 0.0034 0.0016 -0.0033 3599 GLU 559 HG3 0.0022 0.0019 -0.0041 3600 GLU 559 CD 0.0037 0.0015 -0.0030 3601 GLU 559 OE1 0.0036 0.0015 -0.0021 3602 GLU 559 OE2 0.0046 0.0014 -0.0039 3603 ALA 560 N -0.0003 0.0024 -0.0037 3604 ALA 560 HN 0.0005 0.0023 -0.0041 3605 ALA 560 CA -0.0015 0.0027 -0.0044 3606 ALA 560 HA -0.0022 0.0028 -0.0037 3607 ALA 560 C -0.0017 0.0028 -0.0051 3608 ALA 560 O -0.0009 0.0027 -0.0059 3609 ALA 560 CB -0.0016 0.0028 -0.0054 3610 ALA 560 HB1 -0.0008 0.0027 -0.0061 3611 ALA 560 HB2 -0.0015 0.0028 -0.0048 3612 ALA 560 HB3 -0.0025 0.0031 -0.0059 3613 ILE 561 N -0.0028 0.0029 -0.0048 3614 ILE 561 HN -0.0032 0.0030 -0.0040 3615 ILE 561 CA -0.0034 0.0032 -0.0054 3616 ILE 561 HA -0.0029 0.0030 -0.0050 3617 ILE 561 C -0.0033 0.0033 -0.0069 3618 ILE 561 O -0.0027 0.0032 -0.0074 3619 ILE 561 CB -0.0048 0.0035 -0.0049 3620 ILE 561 HB -0.0053 0.0037 -0.0054 3621 ILE 561 CG1 -0.0050 0.0034 -0.0034 3622 ILE 561 HG12 -0.0047 0.0033 -0.0031 3623 ILE 561 HG13 -0.0061 0.0036 -0.0032 3624 ILE 561 CG2 -0.0054 0.0037 -0.0054 3625 ILE 561 HG21 -0.0049 0.0035 -0.0050 3626 ILE 561 HG22 -0.0055 0.0038 -0.0065 3627 ILE 561 HG23 -0.0064 0.0039 -0.0050 3628 ILE 561 CD1 -0.0044 0.0031 -0.0025 3629 ILE 561 HD11 -0.0034 0.0029 -0.0027 3630 ILE 561 HD12 -0.0048 0.0033 -0.0027 3631 ILE 561 HD13 -0.0046 0.0031 -0.0015 3632 VAL 562 N -0.0039 0.0035 -0.0075 3633 VAL 562 HN -0.0042 0.0035 -0.0070 3634 VAL 562 CA -0.0040 0.0037 -0.0089 3635 VAL 562 HA -0.0045 0.0038 -0.0092 3636 VAL 562 C -0.0027 0.0034 -0.0097 3637 VAL 562 O -0.0025 0.0035 -0.0105 3638 VAL 562 CB -0.0049 0.0039 -0.0093 3639 VAL 562 HB -0.0058 0.0041 -0.0087 3640 VAL 562 CG1 -0.0053 0.0042 -0.0107 3641 VAL 562 HG11 -0.0045 0.0040 -0.0114 3642 VAL 562 HG12 -0.0060 0.0044 -0.0109 3643 VAL 562 HG13 -0.0057 0.0043 -0.0109 3644 VAL 562 CG2 -0.0044 0.0038 -0.0089 3645 VAL 562 HG21 -0.0036 0.0036 -0.0095 3646 VAL 562 HG22 -0.0041 0.0036 -0.0079 3647 VAL 562 HG23 -0.0052 0.0040 -0.0090 3648 ASP 563 N -0.0018 0.0032 -0.0093 3649 ASP 563 HN -0.0020 0.0032 -0.0088 3650 ASP 563 CA -0.0005 0.0029 -0.0097 3651 ASP 563 HA -0.0004 0.0029 -0.0107 3652 ASP 563 C 0.0003 0.0027 -0.0096 3653 ASP 563 O 0.0010 0.0026 -0.0105 3654 ASP 563 CB 0.0003 0.0026 -0.0089 3655 ASP 563 HB2 0.0013 0.0024 -0.0092 3656 ASP 563 HB3 0.0002 0.0025 -0.0078 3657 ASP 563 CG -0.0004 0.0028 -0.0090 3658 ASP 563 OD1 -0.0015 0.0030 -0.0086 3659 ASP 563 OD2 0.0003 0.0027 -0.0095 3660 GLY 564 N 0.0000 0.0026 -0.0085 3661 GLY 564 HN -0.0005 0.0027 -0.0078 3662 GLY 564 CA 0.0004 0.0025 -0.0084 3663 GLY 564 HA2 0.0015 0.0023 -0.0087 3664 GLY 564 HA3 0.0003 0.0025 -0.0074 3665 GLY 564 C -0.0002 0.0028 -0.0093 3666 GLY 564 O 0.0003 0.0026 -0.0094 3667 LEU 565 N -0.0014 0.0028 -0.0096 3668 LEU 565 HN -0.0017 0.0029 -0.0095 3669 LEU 565 CA -0.0023 0.0032 -0.0104 3670 LEU 565 HA -0.0030 0.0035 -0.0108 3671 LEU 565 C -0.0033 0.0034 -0.0094 3672 LEU 565 O -0.0031 0.0032 -0.0081 3673 LEU 565 CB -0.0016 0.0032 -0.0116 3674 LEU 565 HB2 -0.0007 0.0028 -0.0112 3675 LEU 565 HB3 -0.0023 0.0034 -0.0119 3676 LEU 565 CG -0.0012 0.0032 -0.0130 3677 LEU 565 HG -0.0006 0.0031 -0.0137 3678 LEU 565 CD1 -0.0024 0.0038 -0.0140 3679 LEU 565 HD11 -0.0031 0.0039 -0.0134 3680 LEU 565 HD12 -0.0030 0.0040 -0.0141 3681 LEU 565 HD13 -0.0020 0.0038 -0.0150 3682 LEU 565 CD2 -0.0002 0.0028 -0.0129 3683 LEU 565 HD21 -0.0008 0.0029 -0.0123 3684 LEU 565 HD22 0.0002 0.0028 -0.0139 3685 LEU 565 HD23 0.0006 0.0024 -0.0122 3686 ASP 566 N -0.0043 0.0039 -0.0100 3687 ASP 566 HN -0.0044 0.0041 -0.0110 3688 ASP 566 CA -0.0054 0.0042 -0.0093 3689 ASP 566 HA -0.0060 0.0043 -0.0087 3690 ASP 566 C -0.0049 0.0039 -0.0084 3691 ASP 566 O -0.0038 0.0035 -0.0086 3692 ASP 566 CB -0.0063 0.0047 -0.0105 3693 ASP 566 HB2 -0.0057 0.0045 -0.0112 3694 ASP 566 HB3 -0.0066 0.0049 -0.0112 3695 ASP 566 CG -0.0075 0.0050 -0.0100 3696 ASP 566 OD1 -0.0076 0.0051 -0.0101 3697 ASP 566 OD2 -0.0084 0.0053 -0.0093 3698 ASP 567 N -0.0061 0.0041 -0.0075 3699 ASP 567 HN -0.0072 0.0044 -0.0072 3700 ASP 567 CA -0.0058 0.0039 -0.0065 3701 ASP 567 HA -0.0045 0.0036 -0.0064 3702 ASP 567 C -0.0063 0.0041 -0.0072 3703 ASP 567 O -0.0076 0.0045 -0.0077 3704 ASP 567 CB -0.0063 0.0038 -0.0047 3705 ASP 567 HB2 -0.0059 0.0036 -0.0042 3706 ASP 567 HB3 -0.0058 0.0035 -0.0040 3707 ASP 567 CG -0.0081 0.0042 -0.0045 3708 ASP 567 OD1 -0.0086 0.0042 -0.0036 3709 ASP 567 OD2 -0.0089 0.0045 -0.0051 3710 LEU 568 N -0.0052 0.0039 -0.0074 3711 LEU 568 HN -0.0042 0.0035 -0.0069 3712 LEU 568 CA -0.0054 0.0040 -0.0082 3713 LEU 568 HA -0.0064 0.0044 -0.0090 3714 LEU 568 C -0.0058 0.0040 -0.0071 3715 LEU 568 O -0.0071 0.0043 -0.0071 3716 LEU 568 CB -0.0039 0.0038 -0.0093 3717 LEU 568 HB2 -0.0029 0.0035 -0.0087 3718 LEU 568 HB3 -0.0038 0.0038 -0.0095 3719 LEU 568 CG -0.0039 0.0041 -0.0110 3720 LEU 568 HG -0.0045 0.0043 -0.0118 3721 LEU 568 CD1 -0.0048 0.0043 -0.0112 3722 LEU 568 HD11 -0.0043 0.0041 -0.0105 3723 LEU 568 HD12 -0.0060 0.0046 -0.0109 3724 LEU 568 HD13 -0.0047 0.0045 -0.0125 3725 LEU 568 CD2 -0.0022 0.0037 -0.0117 3726 LEU 568 HD21 -0.0015 0.0035 -0.0110 3727 LEU 568 HD22 -0.0022 0.0039 -0.0130 3728 LEU 568 HD23 -0.0016 0.0036 -0.0117 3729 VAL 569 N -0.0051 0.0038 -0.0069 3730 VAL 569 HN -0.0043 0.0036 -0.0070 3731 VAL 569 CA -0.0054 0.0037 -0.0058 3732 VAL 569 HA -0.0064 0.0040 -0.0057 3733 VAL 569 C -0.0050 0.0035 -0.0045 3734 VAL 569 O -0.0040 0.0032 -0.0044 3735 VAL 569 CB -0.0047 0.0036 -0.0059 3736 VAL 569 HB -0.0050 0.0037 -0.0069 3737 VAL 569 CG1 -0.0054 0.0036 -0.0049 3738 VAL 569 HG11 -0.0053 0.0034 -0.0039 3739 VAL 569 HG12 -0.0050 0.0035 -0.0051 3740 VAL 569 HG13 -0.0065 0.0039 -0.0051 3741 VAL 569 CG2 -0.0033 0.0032 -0.0058 3742 VAL 569 HG21 -0.0030 0.0030 -0.0048 3743 VAL 569 HG22 -0.0028 0.0031 -0.0066 3744 VAL 569 HG23 -0.0029 0.0031 -0.0059 3745 THR 570 N -0.0059 0.0036 -0.0035 3746 THR 570 HN -0.0068 0.0038 -0.0037 3747 THR 570 CA -0.0057 0.0033 -0.0021 3748 THR 570 HA -0.0047 0.0031 -0.0021 3749 THR 570 C -0.0057 0.0033 -0.0014 3750 THR 570 O -0.0067 0.0035 -0.0014 3751 THR 570 CB -0.0064 0.0034 -0.0015 3752 THR 570 HB -0.0058 0.0032 -0.0007 3753 THR 570 OG1 -0.0076 0.0037 -0.0008 3754 THR 570 HG1 -0.0081 0.0039 -0.0014 3755 THR 570 CG2 -0.0067 0.0036 -0.0024 3756 THR 570 HG21 -0.0074 0.0039 -0.0032 3757 THR 570 HG22 -0.0059 0.0035 -0.0030 3758 THR 570 HG23 -0.0072 0.0037 -0.0019 3759 LYS 571 N -0.0043 0.0029 -0.0012 3760 LYS 571 HN -0.0034 0.0028 -0.0011 3761 LYS 571 CA -0.0042 0.0028 -0.0005 3762 LYS 571 HA -0.0051 0.0030 -0.0008 3763 LYS 571 C -0.0042 0.0026 0.0011 3764 LYS 571 O -0.0032 0.0024 0.0017 3765 LYS 571 CB -0.0029 0.0026 -0.0011 3766 LYS 571 HB2 -0.0019 0.0024 -0.0005 3767 LYS 571 HB3 -0.0031 0.0026 -0.0007 3768 LYS 571 CG -0.0026 0.0028 -0.0027 3769 LYS 571 HG2 -0.0036 0.0031 -0.0033 3770 LYS 571 HG3 -0.0022 0.0028 -0.0030 3771 LYS 571 CD -0.0015 0.0026 -0.0032 3772 LYS 571 HD2 -0.0006 0.0024 -0.0024 3773 LYS 571 HD3 -0.0010 0.0027 -0.0043 3774 LYS 571 CE -0.0020 0.0028 -0.0033 3775 LYS 571 HE2 -0.0028 0.0028 -0.0024 3776 LYS 571 HE3 -0.0011 0.0026 -0.0032 3777 LYS 571 NZ -0.0027 0.0031 -0.0047 3778 LYS 571 HZ1 -0.0038 0.0033 -0.0046 3779 LYS 571 HZ2 -0.0026 0.0031 -0.0049 3780 LYS 571 HZ3 -0.0023 0.0031 -0.0055 3781 ASP 572 N -0.0052 0.0027 0.0019 3782 ASP 572 HN -0.0060 0.0029 0.0014 3783 ASP 572 CA -0.0053 0.0025 0.0034 3784 ASP 572 HA -0.0052 0.0025 0.0039 3785 ASP 572 C -0.0042 0.0022 0.0040 3786 ASP 572 O -0.0038 0.0023 0.0034 3787 ASP 572 CB -0.0069 0.0028 0.0039 3788 ASP 572 HB2 -0.0077 0.0030 0.0036 3789 ASP 572 HB3 -0.0070 0.0026 0.0051 3790 ASP 572 CG -0.0072 0.0029 0.0031 3791 ASP 572 OD1 -0.0072 0.0029 0.0037 3792 ASP 572 OD2 -0.0076 0.0032 0.0018 3793 ARG 573 N -0.0035 0.0019 0.0055 3794 ARG 573 HN -0.0038 0.0019 0.0058 3795 ARG 573 CA -0.0028 0.0015 0.0066 3796 ARG 573 HA -0.0025 0.0013 0.0075 3797 ARG 573 C -0.0013 0.0013 0.0061 3798 ARG 573 O -0.0009 0.0011 0.0067 3799 ARG 573 CB -0.0039 0.0017 0.0075 3800 ARG 573 HB2 -0.0037 0.0017 0.0070 3801 ARG 573 HB3 -0.0035 0.0014 0.0087 3802 ARG 573 CG -0.0056 0.0021 0.0075 3803 ARG 573 HG2 -0.0059 0.0023 0.0063 3804 ARG 573 HG3 -0.0058 0.0021 0.0078 3805 ARG 573 CD -0.0066 0.0022 0.0085 3806 ARG 573 HD2 -0.0078 0.0025 0.0082 3807 ARG 573 HD3 -0.0065 0.0019 0.0097 3808 ARG 573 NE -0.0062 0.0021 0.0083 3809 ARG 573 HE -0.0056 0.0018 0.0091 3810 ARG 573 CZ -0.0067 0.0024 0.0072 3811 ARG 573 NH1 -0.0074 0.0027 0.0060 3812 ARG 573 HH11 -0.0073 0.0028 0.0054 3813 ARG 573 HH12 -0.0076 0.0029 0.0053 3814 ARG 573 NH2 -0.0065 0.0023 0.0075 3815 ARG 573 HH21 -0.0060 0.0020 0.0084 3816 ARG 573 HH22 -0.0069 0.0025 0.0066 3817 THR 574 N -0.0004 0.0012 0.0051 3818 THR 574 HN -0.0007 0.0014 0.0046 3819 THR 574 CA 0.0011 0.0009 0.0046 3820 THR 574 HA 0.0009 0.0010 0.0044 3821 THR 574 C 0.0022 0.0005 0.0058 3822 THR 574 O 0.0025 0.0003 0.0065 3823 THR 574 CB 0.0018 0.0010 0.0031 3824 THR 574 HB 0.0030 0.0007 0.0030 3825 THR 574 OG1 0.0017 0.0011 0.0029 3826 THR 574 HG1 0.0019 0.0009 0.0038 3827 THR 574 CG2 0.0011 0.0014 0.0017 3828 THR 574 HG21 -0.0001 0.0017 0.0017 3829 THR 574 HG22 0.0011 0.0014 0.0018 3830 THR 574 HG23 0.0016 0.0014 0.0006 3831 LEU 575 N 0.0030 0.0002 0.0063 3832 LEU 575 HN 0.0027 0.0004 0.0057 3833 LEU 575 CA 0.0040 -0.0002 0.0076 3834 LEU 575 HA 0.0038 -0.0003 0.0084 3835 LEU 575 C 0.0057 -0.0005 0.0069 3836 LEU 575 O 0.0064 -0.0005 0.0062 3837 LEU 575 CB 0.0038 -0.0003 0.0084 3838 LEU 575 HB2 0.0034 -0.0000 0.0075 3839 LEU 575 HB3 0.0049 -0.0006 0.0087 3840 LEU 575 CG 0.0027 -0.0002 0.0098 3841 LEU 575 HG 0.0026 -0.0003 0.0102 3842 LEU 575 CD1 0.0033 -0.0006 0.0113 3843 LEU 575 HD11 0.0034 -0.0005 0.0111 3844 LEU 575 HD12 0.0044 -0.0009 0.0116 3845 LEU 575 HD13 0.0025 -0.0005 0.0123 3846 LEU 575 CD2 0.0010 0.0002 0.0095 3847 LEU 575 HD21 0.0009 0.0003 0.0092 3848 LEU 575 HD22 0.0002 0.0002 0.0106 3849 LEU 575 HD23 0.0005 0.0005 0.0085 3850 LEU 576 N 0.0063 -0.0007 0.0072 3851 LEU 576 HN 0.0058 -0.0006 0.0079 3852 LEU 576 CA 0.0078 -0.0009 0.0065 3853 LEU 576 HA 0.0081 -0.0008 0.0054 3854 LEU 576 C 0.0092 -0.0013 0.0075 3855 LEU 576 O 0.0091 -0.0015 0.0090 3856 LEU 576 CB 0.0078 -0.0008 0.0059 3857 LEU 576 HB2 0.0072 -0.0008 0.0068 3858 LEU 576 HB3 0.0090 -0.0011 0.0058 3859 LEU 576 CG 0.0071 -0.0004 0.0043 3860 LEU 576 HG 0.0077 -0.0004 0.0034 3861 LEU 576 CD1 0.0054 -0.0000 0.0042 3862 LEU 576 HD11 0.0047 0.0000 0.0051 3863 LEU 576 HD12 0.0052 0.0000 0.0043 3864 LEU 576 HD13 0.0049 0.0003 0.0030 3865 LEU 576 CD2 0.0074 -0.0004 0.0038 3866 LEU 576 HD21 0.0069 -0.0004 0.0047 3867 LEU 576 HD22 0.0069 -0.0001 0.0026 3868 LEU 576 HD23 0.0087 -0.0007 0.0036 3869 ARG 577 N 0.0108 -0.0014 0.0069 3870 ARG 577 HN 0.0108 -0.0012 0.0057 3871 ARG 577 CA 0.0124 -0.0019 0.0076 3872 ARG 577 HA 0.0123 -0.0020 0.0089 3873 ARG 577 C 0.0134 -0.0019 0.0066 3874 ARG 577 O 0.0137 -0.0018 0.0050 3875 ARG 577 CB 0.0135 -0.0021 0.0075 3876 ARG 577 HB2 0.0140 -0.0020 0.0062 3877 ARG 577 HB3 0.0145 -0.0024 0.0084 3878 ARG 577 CG 0.0126 -0.0020 0.0080 3879 ARG 577 HG2 0.0116 -0.0016 0.0070 3880 ARG 577 HG3 0.0119 -0.0020 0.0092 3881 ARG 577 CD 0.0138 -0.0022 0.0081 3882 ARG 577 HD2 0.0130 -0.0021 0.0084 3883 ARG 577 HD3 0.0146 -0.0026 0.0091 3884 ARG 577 NE 0.0147 -0.0022 0.0064 3885 ARG 577 HE 0.0141 -0.0019 0.0054 3886 ARG 577 CZ 0.0163 -0.0025 0.0062 3887 ARG 577 NH1 0.0173 -0.0029 0.0074 3888 ARG 577 HH11 0.0170 -0.0030 0.0086 3889 ARG 577 HH12 0.0185 -0.0031 0.0071 3890 ARG 577 NH2 0.0169 -0.0024 0.0046 3891 ARG 577 HH21 0.0161 -0.0021 0.0037 3892 ARG 577 HH22 0.0181 -0.0026 0.0044 3893 HIS 578 N 0.0139 -0.0022 0.0075 3894 HIS 578 HN 0.0136 -0.0023 0.0087 3895 HIS 578 CA 0.0148 -0.0023 0.0067 3896 HIS 578 HA 0.0146 -0.0020 0.0054 3897 HIS 578 C 0.0167 -0.0027 0.0069 3898 HIS 578 O 0.0174 -0.0029 0.0069 3899 HIS 578 CB 0.0141 -0.0022 0.0075 3900 HIS 578 HB2 0.0147 -0.0023 0.0068 3901 HIS 578 HB3 0.0145 -0.0025 0.0088 3902 HIS 578 CG 0.0123 -0.0018 0.0074 3903 HIS 578 ND1 0.0115 -0.0014 0.0059 3904 HIS 578 HD1 0.0120 -0.0014 0.0047 3905 HIS 578 CD2 0.0111 -0.0018 0.0087 3906 HIS 578 HD2 0.0112 -0.0020 0.0100 3907 HIS 578 CE1 0.0099 -0.0011 0.0063 3908 HIS 578 HE1 0.0089 -0.0008 0.0054 3909 HIS 578 NE2 0.0096 -0.0013 0.0080 3910 HIS 578 HE2 0.0086 -0.0012 0.0087 3911 ASP 579 N 0.0180 -0.0029 0.0075 3912 ASP 579 HN 0.0175 -0.0028 0.0076 3913 ASP 579 CA 0.0198 -0.0034 0.0079 3914 ASP 579 HA 0.0205 -0.0034 0.0070 3915 ASP 579 C 0.0202 -0.0037 0.0097 3916 ASP 579 O 0.0215 -0.0041 0.0100 3917 ASP 579 CB 0.0203 -0.0034 0.0076 3918 ASP 579 HB2 0.0200 -0.0031 0.0063 3919 ASP 579 HB3 0.0216 -0.0037 0.0079 3920 ASP 579 CG 0.0192 -0.0034 0.0087 3921 ASP 579 OD1 0.0176 -0.0031 0.0089 3922 ASP 579 OD2 0.0199 -0.0036 0.0094 3923 ILE 580 N 0.0190 -0.0037 0.0110 3924 ILE 580 HN 0.0181 -0.0034 0.0106 3925 ILE 580 CA 0.0189 -0.0040 0.0128 3926 ILE 580 HA 0.0196 -0.0042 0.0134 3927 ILE 580 C 0.0197 -0.0042 0.0132 3928 ILE 580 O 0.0192 -0.0040 0.0127 3929 ILE 580 CB 0.0170 -0.0037 0.0135 3930 ILE 580 HB 0.0163 -0.0035 0.0129 3931 ILE 580 CG1 0.0161 -0.0034 0.0130 3932 ILE 580 HG12 0.0166 -0.0037 0.0137 3933 ILE 580 HG13 0.0162 -0.0032 0.0116 3934 ILE 580 CG2 0.0170 -0.0040 0.0155 3935 ILE 580 HG21 0.0177 -0.0043 0.0161 3936 ILE 580 HG22 0.0175 -0.0042 0.0158 3937 ILE 580 HG23 0.0157 -0.0038 0.0160 3938 ILE 580 CD1 0.0142 -0.0031 0.0134 3939 ILE 580 HD11 0.0139 -0.0033 0.0148 3940 ILE 580 HD12 0.0136 -0.0029 0.0128 3941 ILE 580 HD13 0.0136 -0.0029 0.0129 3942 ILE 581 N 0.0213 -0.0047 0.0142 3943 ILE 581 HN 0.0217 -0.0048 0.0145 3944 ILE 581 CA 0.0226 -0.0050 0.0146 3945 ILE 581 HA 0.0234 -0.0050 0.0135 3946 ILE 581 C 0.0218 -0.0049 0.0151 3947 ILE 581 O 0.0224 -0.0049 0.0143 3948 ILE 581 CB 0.0239 -0.0055 0.0161 3949 ILE 581 HB 0.0230 -0.0055 0.0174 3950 ILE 581 CG1 0.0246 -0.0056 0.0158 3951 ILE 581 HG12 0.0235 -0.0054 0.0159 3952 ILE 581 HG13 0.0254 -0.0059 0.0170 3953 ILE 581 CG2 0.0254 -0.0058 0.0165 3954 ILE 581 HG21 0.0262 -0.0058 0.0153 3955 ILE 581 HG22 0.0248 -0.0058 0.0169 3956 ILE 581 HG23 0.0262 -0.0061 0.0175 3957 ILE 581 CD1 0.0256 -0.0055 0.0141 3958 ILE 581 HD11 0.0248 -0.0052 0.0129 3959 ILE 581 HD12 0.0268 -0.0057 0.0140 3960 ILE 581 HD13 0.0261 -0.0056 0.0141 3961 THR 582 N 0.0205 -0.0049 0.0163 3962 THR 582 HN 0.0201 -0.0049 0.0169 3963 THR 582 CA 0.0196 -0.0048 0.0168 3964 THR 582 HA 0.0206 -0.0050 0.0168 3965 THR 582 C 0.0183 -0.0043 0.0153 3966 THR 582 O 0.0167 -0.0041 0.0156 3967 THR 582 CB 0.0187 -0.0049 0.0186 3968 THR 582 HB 0.0175 -0.0047 0.0186 3969 THR 582 OG1 0.0199 -0.0053 0.0199 3970 THR 582 HG1 0.0209 -0.0055 0.0199 3971 THR 582 CG2 0.0182 -0.0049 0.0194 3972 THR 582 HG21 0.0194 -0.0052 0.0195 3973 THR 582 HG22 0.0172 -0.0046 0.0186 3974 THR 582 HG23 0.0176 -0.0050 0.0207 3975 LEU 583 N 0.0189 -0.0042 0.0137 3976 LEU 583 HN 0.0201 -0.0043 0.0135 3977 LEU 583 CA 0.0180 -0.0037 0.0121 3978 LEU 583 HA 0.0170 -0.0035 0.0120 3979 LEU 583 C 0.0172 -0.0036 0.0120 3980 LEU 583 O 0.0172 -0.0034 0.0107 3981 LEU 583 CB 0.0192 -0.0037 0.0105 3982 LEU 583 HB2 0.0185 -0.0034 0.0093 3983 LEU 583 HB3 0.0193 -0.0037 0.0104 3984 LEU 583 CG 0.0211 -0.0040 0.0103 3985 LEU 583 HG 0.0217 -0.0043 0.0115 3986 LEU 583 CD1 0.0212 -0.0040 0.0104 3987 LEU 583 HD11 0.0206 -0.0037 0.0093 3988 LEU 583 HD12 0.0206 -0.0041 0.0116 3989 LEU 583 HD13 0.0226 -0.0043 0.0103 3990 LEU 583 CD2 0.0221 -0.0039 0.0088 3991 LEU 583 HD21 0.0215 -0.0036 0.0076 3992 LEU 583 HD22 0.0234 -0.0042 0.0088 3993 LEU 583 HD23 0.0221 -0.0039 0.0089 3994 LYS 584 N 0.0163 -0.0037 0.0134 3995 LYS 584 HN 0.0164 -0.0038 0.0144 3996 LYS 584 CA 0.0151 -0.0035 0.0137 3997 LYS 584 HA 0.0149 -0.0033 0.0125 3998 LYS 584 C 0.0133 -0.0033 0.0143 3999 LYS 584 O 0.0121 -0.0029 0.0136 4000 LYS 584 CB 0.0158 -0.0038 0.0151 4001 LYS 584 HB2 0.0170 -0.0040 0.0146 4002 LYS 584 HB3 0.0160 -0.0041 0.0163 4003 LYS 584 CG 0.0146 -0.0037 0.0154 4004 LYS 584 HG2 0.0134 -0.0035 0.0160 4005 LYS 584 HG3 0.0143 -0.0034 0.0141 4006 LYS 584 CD 0.0154 -0.0040 0.0166 4007 LYS 584 HD2 0.0157 -0.0043 0.0178 4008 LYS 584 HD3 0.0166 -0.0041 0.0160 4009 LYS 584 CE 0.0142 -0.0039 0.0171 4010 LYS 584 HE2 0.0130 -0.0038 0.0178 4011 LYS 584 HE3 0.0149 -0.0041 0.0180 4012 LYS 584 NZ 0.0137 -0.0036 0.0157 4013 LYS 584 HZ1 0.0129 -0.0033 0.0149 4014 LYS 584 HZ2 0.0130 -0.0035 0.0161 4015 LYS 584 HZ3 0.0148 -0.0036 0.0150 4016 GLY 585 N 0.0133 -0.0036 0.0154 4017 GLY 585 HN 0.0144 -0.0039 0.0158 4018 GLY 585 CA 0.0118 -0.0034 0.0162 4019 GLY 585 HA2 0.0115 -0.0035 0.0173 4020 GLY 585 HA3 0.0122 -0.0035 0.0165 4021 GLY 585 C 0.0103 -0.0029 0.0151 4022 GLY 585 O 0.0090 -0.0027 0.0154 4023 THR 586 N 0.0104 -0.0027 0.0137 4024 THR 586 HN 0.0114 -0.0029 0.0136 4025 THR 586 CA 0.0091 -0.0022 0.0124 4026 THR 586 HA 0.0099 -0.0022 0.0114 4027 THR 586 C 0.0077 -0.0020 0.0130 4028 THR 586 O 0.0067 -0.0019 0.0142 4029 THR 586 CB 0.0085 -0.0019 0.0116 4030 THR 586 HB 0.0076 -0.0019 0.0126 4031 THR 586 OG1 0.0099 -0.0022 0.0112 4032 THR 586 HG1 0.0104 -0.0024 0.0122 4033 THR 586 CG2 0.0076 -0.0014 0.0099 4034 THR 586 HG21 0.0084 -0.0015 0.0089 4035 THR 586 HG22 0.0065 -0.0012 0.0101 4036 THR 586 HG23 0.0071 -0.0013 0.0095 4037 ASP 587 N 0.0072 -0.0018 0.0112 4038 ASP 587 HN 0.0079 -0.0018 0.0103 4039 ASP 587 CA 0.0062 -0.0016 0.0115 4040 ASP 587 HA 0.0057 -0.0017 0.0127 4041 ASP 587 C 0.0049 -0.0011 0.0104 4042 ASP 587 O 0.0049 -0.0008 0.0092 4043 ASP 587 CB 0.0070 -0.0018 0.0116 4044 ASP 587 HB2 0.0078 -0.0022 0.0125 4045 ASP 587 HB3 0.0062 -0.0017 0.0118 4046 ASP 587 CG 0.0079 -0.0018 0.0102 4047 ASP 587 OD1 0.0093 -0.0021 0.0101 4048 ASP 587 OD2 0.0073 -0.0014 0.0091 4049 ARG 588 N 0.0036 -0.0008 0.0109 4050 ARG 588 HN 0.0036 -0.0010 0.0119 4051 ARG 588 CA 0.0023 -0.0003 0.0101 4052 ARG 588 HA 0.0022 -0.0002 0.0093 4053 ARG 588 C 0.0023 -0.0002 0.0092 4054 ARG 588 O 0.0018 -0.0001 0.0098 4055 ARG 588 CB 0.0008 -0.0002 0.0112 4056 ARG 588 HB2 0.0008 -0.0003 0.0118 4057 ARG 588 HB3 0.0009 -0.0004 0.0120 4058 ARG 588 CG -0.0007 0.0004 0.0104 4059 ARG 588 HG2 -0.0008 0.0005 0.0096 4060 ARG 588 HG3 -0.0007 0.0005 0.0096 4061 ARG 588 CD -0.0021 0.0005 0.0114 4062 ARG 588 HD2 -0.0021 0.0004 0.0122 4063 ARG 588 HD3 -0.0031 0.0009 0.0108 4064 ARG 588 NE -0.0021 0.0004 0.0122 4065 ARG 588 HE -0.0017 0.0004 0.0117 4066 ARG 588 CZ -0.0026 0.0002 0.0137 4067 ARG 588 NH1 -0.0029 0.0001 0.0147 4068 ARG 588 HH11 -0.0027 0.0001 0.0144 4069 ARG 588 HH12 -0.0032 -0.0001 0.0158 4070 ARG 588 NH2 -0.0027 0.0001 0.0142 4071 ARG 588 HH21 -0.0026 0.0002 0.0135 4072 ARG 588 HH22 -0.0030 -0.0000 0.0153 4073 GLU 589 N 0.0025 0.0001 0.0074 4074 GLU 589 HN 0.0031 -0.0000 0.0071 4075 GLU 589 CA 0.0023 0.0003 0.0063 4076 GLU 589 HA 0.0019 0.0003 0.0068 4077 GLU 589 C 0.0012 0.0007 0.0052 4078 GLU 589 O 0.0014 0.0007 0.0046 4079 GLU 589 CB 0.0037 0.0000 0.0055 4080 GLU 589 HB2 0.0042 -0.0001 0.0051 4081 GLU 589 HB3 0.0034 0.0002 0.0045 4082 GLU 589 CG 0.0047 -0.0004 0.0064 4083 GLU 589 HG2 0.0058 -0.0006 0.0058 4084 GLU 589 HG3 0.0049 -0.0005 0.0074 4085 GLU 589 CD 0.0042 -0.0003 0.0066 4086 GLU 589 OE1 0.0047 -0.0003 0.0057 4087 GLU 589 OE2 0.0034 -0.0002 0.0076 4088 ARG 590 N 0.0001 0.0010 0.0049 4089 ARG 590 HN 0.0000 0.0010 0.0054 4090 ARG 590 CA -0.0009 0.0014 0.0038 4091 ARG 590 HA -0.0010 0.0014 0.0037 4092 ARG 590 C -0.0003 0.0014 0.0024 4093 ARG 590 O 0.0002 0.0013 0.0023 4094 ARG 590 CB -0.0024 0.0017 0.0043 4095 ARG 590 HB2 -0.0026 0.0017 0.0054 4096 ARG 590 HB3 -0.0023 0.0017 0.0042 4097 ARG 590 CG -0.0036 0.0022 0.0034 4098 ARG 590 HG2 -0.0036 0.0022 0.0036 4099 ARG 590 HG3 -0.0035 0.0023 0.0022 4100 ARG 590 CD -0.0051 0.0025 0.0039 4101 ARG 590 HD2 -0.0051 0.0024 0.0051 4102 ARG 590 HD3 -0.0059 0.0027 0.0039 4103 ARG 590 NE -0.0055 0.0027 0.0030 4104 ARG 590 HE -0.0052 0.0026 0.0032 4105 ARG 590 CZ -0.0061 0.0030 0.0017 4106 ARG 590 NH1 -0.0064 0.0032 0.0010 4107 ARG 590 HH11 -0.0062 0.0031 0.0016 4108 ARG 590 HH12 -0.0069 0.0034 0.0001 4109 ARG 590 NH2 -0.0065 0.0032 0.0009 4110 ARG 590 HH21 -0.0069 0.0033 0.0015 4111 ARG 590 HH22 -0.0070 0.0034 -0.0000 4112 CYS 591 N -0.0005 0.0018 0.0016 4113 CYS 591 HN -0.0010 0.0019 0.0016 4114 CYS 591 CA 0.0001 0.0018 0.0003 4115 CYS 591 HA 0.0006 0.0016 0.0004 4116 CYS 591 C -0.0010 0.0021 -0.0008 4117 CYS 591 O -0.0018 0.0023 -0.0011 4118 CYS 591 CB 0.0012 0.0015 -0.0003 4119 CYS 591 HB2 0.0020 0.0013 0.0004 4120 CYS 591 HB3 0.0015 0.0015 -0.0013 4121 CYS 591 SG 0.0007 0.0016 -0.0003 4122 CYS 591 HG 0.0008 0.0015 0.0010 4123 ILE 592 N -0.0009 0.0021 -0.0014 4124 ILE 592 HN -0.0001 0.0019 -0.0012 4125 ILE 592 CA -0.0017 0.0024 -0.0025 4126 ILE 592 HA -0.0024 0.0026 -0.0027 4127 ILE 592 C -0.0008 0.0023 -0.0037 4128 ILE 592 O 0.0002 0.0021 -0.0037 4129 ILE 592 CB -0.0024 0.0025 -0.0021 4130 ILE 592 HB -0.0016 0.0023 -0.0017 4131 ILE 592 CG1 -0.0034 0.0027 -0.0009 4132 ILE 592 HG12 -0.0038 0.0028 -0.0008 4133 ILE 592 HG13 -0.0042 0.0029 -0.0012 4134 ILE 592 CG2 -0.0030 0.0028 -0.0034 4135 ILE 592 HG21 -0.0038 0.0030 -0.0038 4136 ILE 592 HG22 -0.0022 0.0027 -0.0041 4137 ILE 592 HG23 -0.0033 0.0029 -0.0031 4138 ILE 592 CD1 -0.0029 0.0025 0.0005 4139 ILE 592 HD11 -0.0020 0.0022 0.0007 4140 ILE 592 HD12 -0.0028 0.0024 0.0005 4141 ILE 592 HD13 -0.0037 0.0026 0.0012 4142 PHE 593 N -0.0010 0.0025 -0.0047 4143 PHE 593 HN -0.0018 0.0027 -0.0047 4144 PHE 593 CA -0.0003 0.0026 -0.0061 4145 PHE 593 HA 0.0008 0.0024 -0.0060 4146 PHE 593 C -0.0012 0.0028 -0.0070 4147 PHE 593 O -0.0024 0.0031 -0.0073 4148 PHE 593 CB -0.0003 0.0027 -0.0069 4149 PHE 593 HB2 -0.0013 0.0029 -0.0070 4150 PHE 593 HB3 0.0001 0.0027 -0.0081 4151 PHE 593 CG 0.0007 0.0024 -0.0063 4152 PHE 593 CD1 0.0020 0.0023 -0.0071 4153 PHE 593 HD1 0.0022 0.0024 -0.0081 4154 PHE 593 CD2 0.0005 0.0023 -0.0050 4155 PHE 593 HD2 -0.0005 0.0024 -0.0044 4156 PHE 593 CE1 0.0029 0.0021 -0.0066 4157 PHE 593 HE1 0.0039 0.0020 -0.0072 4158 PHE 593 CE2 0.0014 0.0021 -0.0045 4159 PHE 593 HE2 0.0012 0.0020 -0.0035 4160 PHE 593 CZ 0.0026 0.0020 -0.0053 4161 PHE 593 HZ 0.0034 0.0018 -0.0049 4162 MET 594 N -0.0005 0.0027 -0.0073 4163 MET 594 HN 0.0005 0.0025 -0.0070 4164 MET 594 CA -0.0010 0.0030 -0.0083 4165 MET 594 HA -0.0021 0.0032 -0.0085 4166 MET 594 C -0.0002 0.0030 -0.0098 4167 MET 594 O 0.0007 0.0029 -0.0100 4168 MET 594 CB -0.0009 0.0029 -0.0077 4169 MET 594 HB2 -0.0014 0.0030 -0.0084 4170 MET 594 HB3 0.0002 0.0027 -0.0075 4171 MET 594 CG -0.0018 0.0028 -0.0062 4172 MET 594 HG2 -0.0013 0.0027 -0.0054 4173 MET 594 HG3 -0.0029 0.0030 -0.0064 4174 MET 594 SD -0.0021 0.0028 -0.0055 4175 MET 594 CE -0.0003 0.0025 -0.0053 4176 MET 594 HE1 -0.0003 0.0024 -0.0048 4177 MET 594 HE2 0.0002 0.0025 -0.0063 4178 MET 594 HE3 0.0003 0.0023 -0.0046 4179 LEU 595 N -0.0002 0.0030 -0.0109 4180 LEU 595 HN -0.0010 0.0032 -0.0108 4181 LEU 595 CA 0.0006 0.0030 -0.0123 4182 LEU 595 HA 0.0007 0.0030 -0.0126 4183 LEU 595 C 0.0021 0.0026 -0.0122 4184 LEU 595 O 0.0031 0.0025 -0.0126 4185 LEU 595 CB -0.0002 0.0032 -0.0136 4186 LEU 595 HB2 -0.0004 0.0033 -0.0133 4187 LEU 595 HB3 0.0006 0.0031 -0.0145 4188 LEU 595 CG -0.0015 0.0036 -0.0143 4189 LEU 595 HG -0.0013 0.0035 -0.0144 4190 LEU 595 CD1 -0.0029 0.0037 -0.0133 4191 LEU 595 HD11 -0.0032 0.0038 -0.0130 4192 LEU 595 HD12 -0.0027 0.0036 -0.0122 4193 LEU 595 HD13 -0.0038 0.0040 -0.0138 4194 LEU 595 CD2 -0.0019 0.0038 -0.0158 4195 LEU 595 HD21 -0.0022 0.0038 -0.0157 4196 LEU 595 HD22 -0.0028 0.0040 -0.0163 4197 LEU 595 HD23 -0.0009 0.0036 -0.0165 4198 SER 596 N 0.0022 0.0026 -0.0115 4199 SER 596 HN 0.0014 0.0027 -0.0112 4200 SER 596 CA 0.0036 0.0023 -0.0113 4201 SER 596 HA 0.0043 0.0022 -0.0122 4202 SER 596 C 0.0044 0.0020 -0.0099 4203 SER 596 O 0.0057 0.0017 -0.0100 4204 SER 596 CB 0.0035 0.0023 -0.0111 4205 SER 596 HB2 0.0046 0.0020 -0.0109 4206 SER 596 HB3 0.0028 0.0023 -0.0102 4207 SER 596 OG 0.0031 0.0025 -0.0125 4208 SER 596 HG 0.0030 0.0025 -0.0123 4209 ASP 597 N 0.0034 0.0021 -0.0091 4210 ASP 597 HN 0.0023 0.0022 -0.0091 4211 ASP 597 CA 0.0040 0.0018 -0.0076 4212 ASP 597 HA 0.0052 0.0016 -0.0077 4213 ASP 597 C 0.0035 0.0018 -0.0070 4214 ASP 597 O 0.0023 0.0021 -0.0073 4215 ASP 597 CB 0.0035 0.0018 -0.0065 4216 ASP 597 HB2 0.0041 0.0016 -0.0054 4217 ASP 597 HB3 0.0023 0.0020 -0.0063 4218 ASP 597 CG 0.0038 0.0018 -0.0069 4219 ASP 597 OD1 0.0048 0.0015 -0.0062 4220 ASP 597 OD2 0.0032 0.0020 -0.0080 4221 LEU 598 N 0.0045 0.0016 -0.0061 4222 LEU 598 HN 0.0055 0.0014 -0.0060 4223 LEU 598 CA 0.0043 0.0015 -0.0052 4224 LEU 598 HA 0.0032 0.0017 -0.0054 4225 LEU 598 C 0.0044 0.0014 -0.0036 4226 LEU 598 O 0.0056 0.0011 -0.0031 4227 LEU 598 CB 0.0054 0.0014 -0.0056 4228 LEU 598 HB2 0.0052 0.0015 -0.0068 4229 LEU 598 HB3 0.0065 0.0012 -0.0057 4230 LEU 598 CG 0.0054 0.0013 -0.0047 4231 LEU 598 HG 0.0059 0.0011 -0.0036 4232 LEU 598 CD1 0.0039 0.0015 -0.0044 4233 LEU 598 HD11 0.0034 0.0017 -0.0055 4234 LEU 598 HD12 0.0032 0.0016 -0.0038 4235 LEU 598 HD13 0.0040 0.0014 -0.0038 4236 LEU 598 CD2 0.0065 0.0012 -0.0055 4237 LEU 598 HD21 0.0061 0.0014 -0.0066 4238 LEU 598 HD22 0.0065 0.0011 -0.0048 4239 LEU 598 HD23 0.0076 0.0010 -0.0056 4240 LEU 599 N 0.0030 0.0014 -0.0031 4241 LEU 599 HN 0.0021 0.0016 -0.0034 4242 LEU 599 CA 0.0030 0.0013 -0.0017 4243 LEU 599 HA 0.0040 0.0010 -0.0015 4244 LEU 599 C 0.0027 0.0012 -0.0005 4245 LEU 599 O 0.0019 0.0014 -0.0007 4246 LEU 599 CB 0.0020 0.0015 -0.0016 4247 LEU 599 HB2 0.0024 0.0013 -0.0007 4248 LEU 599 HB3 0.0023 0.0015 -0.0025 4249 LEU 599 CG 0.0005 0.0018 -0.0015 4250 LEU 599 HG 0.0003 0.0019 -0.0021 4251 LEU 599 CD1 -0.0001 0.0018 0.0000 4252 LEU 599 HD11 0.0003 0.0017 0.0007 4253 LEU 599 HD12 0.0003 0.0017 0.0005 4254 LEU 599 HD13 -0.0012 0.0021 0.0001 4255 LEU 599 CD2 -0.0003 0.0021 -0.0022 4256 LEU 599 HD21 -0.0001 0.0020 -0.0017 4257 LEU 599 HD22 -0.0014 0.0023 -0.0021 4258 LEU 599 HD23 -0.0000 0.0021 -0.0033 4259 LEU 600 N 0.0034 0.0010 0.0006 4260 LEU 600 HN 0.0040 0.0008 0.0007 4261 LEU 600 CA 0.0033 0.0009 0.0019 4262 LEU 600 HA 0.0027 0.0010 0.0017 4263 LEU 600 C 0.0027 0.0009 0.0030 4264 LEU 600 O 0.0031 0.0008 0.0033 4265 LEU 600 CB 0.0048 0.0005 0.0024 4266 LEU 600 HB2 0.0054 0.0003 0.0027 4267 LEU 600 HB3 0.0046 0.0004 0.0034 4268 LEU 600 CG 0.0056 0.0004 0.0015 4269 LEU 600 HG 0.0064 0.0001 0.0021 4270 LEU 600 CD1 0.0047 0.0006 0.0010 4271 LEU 600 HD11 0.0039 0.0009 0.0004 4272 LEU 600 HD12 0.0043 0.0006 0.0019 4273 LEU 600 HD13 0.0054 0.0005 0.0004 4274 LEU 600 CD2 0.0063 0.0003 0.0002 4275 LEU 600 HD21 0.0055 0.0006 -0.0006 4276 LEU 600 HD22 0.0070 0.0002 -0.0003 4277 LEU 600 HD23 0.0069 0.0002 0.0006 4278 VAL 601 N 0.0013 0.0010 0.0031 4279 VAL 601 HN 0.0009 0.0011 0.0030 4280 VAL 601 CA 0.0006 0.0011 0.0039 4281 VAL 601 HA 0.0011 0.0009 0.0042 4282 VAL 601 C 0.0002 0.0010 0.0051 4283 VAL 601 O -0.0002 0.0011 0.0051 4284 VAL 601 CB -0.0005 0.0014 0.0032 4285 VAL 601 HB -0.0001 0.0015 0.0023 4286 VAL 601 CG1 -0.0009 0.0015 0.0038 4287 VAL 601 HG11 -0.0011 0.0014 0.0048 4288 VAL 601 HG12 -0.0017 0.0018 0.0033 4289 VAL 601 HG13 -0.0002 0.0013 0.0037 4290 VAL 601 CG2 -0.0015 0.0018 0.0031 4291 VAL 601 HG21 -0.0019 0.0018 0.0040 4292 VAL 601 HG22 -0.0012 0.0017 0.0026 4293 VAL 601 HG23 -0.0022 0.0020 0.0025 4294 THR 602 N 0.0004 0.0008 0.0062 4295 THR 602 HN 0.0007 0.0007 0.0062 4296 THR 602 CA 0.0002 0.0007 0.0074 4297 THR 602 HA 0.0004 0.0006 0.0074 4298 THR 602 C -0.0011 0.0010 0.0078 4299 THR 602 O -0.0014 0.0011 0.0079 4300 THR 602 CB 0.0010 0.0003 0.0084 4301 THR 602 HB 0.0008 0.0004 0.0087 4302 THR 602 OG1 0.0022 0.0000 0.0080 4303 THR 602 HG1 0.0024 0.0000 0.0075 4304 THR 602 CG2 0.0010 0.0002 0.0095 4305 THR 602 HG21 0.0013 0.0001 0.0093 4306 THR 602 HG22 0.0001 0.0004 0.0100 4307 THR 602 HG23 0.0016 -0.0001 0.0102 4308 SER 603 N -0.0019 0.0011 0.0073 4309 SER 603 HN -0.0017 0.0011 0.0071 4310 SER 603 CA -0.0030 0.0014 0.0077 4311 SER 603 HA -0.0032 0.0015 0.0073 4312 SER 603 C -0.0030 0.0011 0.0088 4313 SER 603 O -0.0027 0.0009 0.0094 4314 SER 603 CB -0.0037 0.0016 0.0074 4315 SER 603 HB2 -0.0045 0.0018 0.0077 4316 SER 603 HB3 -0.0034 0.0015 0.0077 4317 SER 603 OG -0.0038 0.0019 0.0063 4318 SER 603 HG -0.0042 0.0021 0.0061 4319 VAL 604 N -0.0035 0.0011 0.0092 4320 VAL 604 HN -0.0037 0.0013 0.0088 4321 VAL 604 CA -0.0035 0.0009 0.0103 4322 VAL 604 HA -0.0033 0.0007 0.0107 4323 VAL 604 C -0.0045 0.0010 0.0110 4324 VAL 604 O -0.0047 0.0012 0.0103 4325 VAL 604 CB -0.0026 0.0005 0.0106 4326 VAL 604 HB -0.0026 0.0004 0.0115 4327 VAL 604 CG1 -0.0015 0.0003 0.0104 4328 VAL 604 HG11 -0.0013 0.0004 0.0096 4329 VAL 604 HG12 -0.0015 0.0002 0.0109 4330 VAL 604 HG13 -0.0009 0.0000 0.0107 4331 VAL 604 CG2 -0.0025 0.0007 0.0101 4332 VAL 604 HG21 -0.0025 0.0008 0.0092 4333 VAL 604 HG22 -0.0019 0.0004 0.0103 4334 VAL 604 HG23 -0.0033 0.0008 0.0103 4335 LYS 605 N -0.0051 0.0007 0.0102 4336 LYS 605 HN -0.0056 0.0006 0.0099 4337 LYS 605 CA -0.0056 0.0005 0.0112 4338 LYS 605 HA -0.0049 0.0007 0.0114 4339 LYS 605 C -0.0068 0.0002 0.0107 4340 LYS 605 O -0.0067 0.0003 0.0099 4341 LYS 605 CB -0.0058 0.0004 0.0126 4342 LYS 605 HB2 -0.0049 0.0006 0.0128 4343 LYS 605 HB3 -0.0066 0.0002 0.0125 4344 LYS 605 CG -0.0060 0.0002 0.0139 4345 LYS 605 HG2 -0.0069 0.0000 0.0137 4346 LYS 605 HG3 -0.0052 0.0004 0.0140 4347 LYS 605 CD -0.0062 0.0001 0.0152 4348 LYS 605 HD2 -0.0071 -0.0001 0.0150 4349 LYS 605 HD3 -0.0054 0.0003 0.0154 4350 LYS 605 CE -0.0065 -0.0000 0.0164 4351 LYS 605 HE2 -0.0056 0.0002 0.0166 4352 LYS 605 HE3 -0.0073 -0.0003 0.0163 4353 LYS 605 NZ -0.0067 -0.0002 0.0176 4354 LYS 605 HZ1 -0.0059 0.0000 0.0178 4355 LYS 605 HZ2 -0.0067 -0.0002 0.0185 4356 LYS 605 HZ3 -0.0075 -0.0004 0.0175 4357 LYS 606 N -0.0080 -0.0001 0.0112 4358 LYS 606 HN -0.0081 -0.0002 0.0119 4359 LYS 606 CA -0.0093 -0.0004 0.0109 4360 LYS 606 HA -0.0091 -0.0004 0.0105 4361 LYS 606 C -0.0101 -0.0006 0.0098 4362 LYS 606 O -0.0106 -0.0007 0.0089 4363 LYS 606 CB -0.0101 -0.0007 0.0122 4364 LYS 606 HB2 -0.0095 -0.0006 0.0130 4365 LYS 606 HB3 -0.0105 -0.0009 0.0126 4366 LYS 606 CG -0.0113 -0.0010 0.0120 4367 LYS 606 HG2 -0.0120 -0.0012 0.0113 4368 LYS 606 HG3 -0.0109 -0.0009 0.0115 4369 LYS 606 CD -0.0120 -0.0013 0.0133 4370 LYS 606 HD2 -0.0124 -0.0014 0.0138 4371 LYS 606 HD3 -0.0113 -0.0011 0.0140 4372 LYS 606 CE -0.0132 -0.0016 0.0131 4373 LYS 606 HE2 -0.0139 -0.0017 0.0124 4374 LYS 606 HE3 -0.0137 -0.0018 0.0141 4375 LYS 606 NZ -0.0128 -0.0015 0.0126 4376 LYS 606 HZ1 -0.0123 -0.0013 0.0117 4377 LYS 606 HZ2 -0.0136 -0.0017 0.0124 4378 LYS 606 HZ3 -0.0122 -0.0013 0.0133 4379 LYS 607 N -0.0101 -0.0012 0.0087 4380 LYS 607 HN -0.0096 -0.0016 0.0090 4381 LYS 607 CA -0.0102 -0.0006 0.0075 4382 LYS 607 HA -0.0110 -0.0003 0.0074 4383 LYS 607 C -0.0091 -0.0006 0.0068 4384 LYS 607 O -0.0082 -0.0011 0.0070 4385 LYS 607 CB -0.0102 -0.0005 0.0073 4386 LYS 607 HB2 -0.0102 -0.0009 0.0080 4387 LYS 607 HB3 -0.0094 -0.0005 0.0067 4388 LYS 607 CG -0.0112 0.0001 0.0067 4389 LYS 607 HG2 -0.0121 0.0002 0.0072 4390 LYS 607 HG3 -0.0112 0.0001 0.0068 4391 LYS 607 CD -0.0112 0.0008 0.0055 4392 LYS 607 HD2 -0.0113 0.0008 0.0054 4393 LYS 607 HD3 -0.0103 0.0007 0.0051 4394 LYS 607 CE -0.0121 0.0014 0.0049 4395 LYS 607 HE2 -0.0119 0.0013 0.0049 4396 LYS 607 HE3 -0.0130 0.0015 0.0053 4397 LYS 607 NZ -0.0120 0.0020 0.0038 4398 LYS 607 HZ1 -0.0112 0.0018 0.0035 4399 LYS 607 HZ2 -0.0123 0.0023 0.0033 4400 LYS 607 HZ3 -0.0127 0.0022 0.0037 4401 PRO 608 N -0.0093 -0.0002 0.0061 4402 PRO 608 CA -0.0083 -0.0003 0.0056 4403 PRO 608 HA -0.0079 -0.0007 0.0062 4404 PRO 608 C -0.0073 -0.0002 0.0048 4405 PRO 608 O -0.0072 0.0003 0.0038 4406 PRO 608 CB -0.0089 0.0002 0.0050 4407 PRO 608 HB2 -0.0090 0.0007 0.0042 4408 PRO 608 HB3 -0.0084 0.0001 0.0050 4409 PRO 608 CG -0.0101 0.0003 0.0057 4410 PRO 608 HG2 -0.0100 -0.0002 0.0065 4411 PRO 608 HG3 -0.0107 0.0007 0.0053 4412 PRO 608 CD -0.0104 0.0002 0.0060 4413 PRO 608 HD2 -0.0110 -0.0000 0.0068 4414 PRO 608 HD3 -0.0108 0.0007 0.0054 4415 LYS 609 N -0.0069 0.0015 0.0077 4416 LYS 609 HN -0.0071 0.0013 0.0084 4417 LYS 609 CA -0.0061 0.0015 0.0074 4418 LYS 609 HA -0.0064 0.0016 0.0067 4419 LYS 609 C -0.0050 0.0015 0.0071 4420 LYS 609 O -0.0047 0.0013 0.0076 4421 LYS 609 CB -0.0060 0.0013 0.0082 4422 LYS 609 HB2 -0.0054 0.0013 0.0079 4423 LYS 609 HB3 -0.0068 0.0013 0.0083 4424 LYS 609 CG -0.0056 0.0010 0.0093 4425 LYS 609 HG2 -0.0062 0.0010 0.0097 4426 LYS 609 HG3 -0.0048 0.0010 0.0092 4427 LYS 609 CD -0.0054 0.0009 0.0100 4428 LYS 609 HD2 -0.0061 0.0009 0.0101 4429 LYS 609 HD3 -0.0048 0.0009 0.0096 4430 LYS 609 CE -0.0050 0.0006 0.0111 4431 LYS 609 HE2 -0.0042 0.0006 0.0110 4432 LYS 609 HE3 -0.0055 0.0006 0.0115 4433 LYS 609 NZ -0.0048 0.0005 0.0117 4434 LYS 609 HZ1 -0.0043 0.0005 0.0114 4435 LYS 609 HZ2 -0.0045 0.0003 0.0125 4436 LYS 609 HZ3 -0.0056 0.0005 0.0118 4437 VAL 610 N -0.0045 0.0016 0.0063 4438 VAL 610 HN -0.0048 0.0017 0.0059 4439 VAL 610 CA -0.0035 0.0016 0.0058 4440 VAL 610 HA -0.0033 0.0015 0.0064 4441 VAL 610 C -0.0026 0.0016 0.0058 4442 VAL 610 O -0.0028 0.0017 0.0056 4443 VAL 610 CB -0.0036 0.0019 0.0048 4444 VAL 610 HB -0.0029 0.0019 0.0046 4445 VAL 610 CG1 -0.0039 0.0021 0.0039 4446 VAL 610 HG11 -0.0047 0.0021 0.0039 4447 VAL 610 HG12 -0.0038 0.0022 0.0031 4448 VAL 610 HG13 -0.0034 0.0021 0.0038 4449 VAL 610 CG2 -0.0045 0.0019 0.0048 4450 VAL 610 HG21 -0.0053 0.0020 0.0049 4451 VAL 610 HG22 -0.0043 0.0018 0.0055 4452 VAL 610 HG23 -0.0044 0.0021 0.0041 4453 LEU 611 N -0.0012 0.0013 0.0065 4454 LEU 611 HN -0.0011 0.0012 0.0068 4455 LEU 611 CA -0.0002 0.0011 0.0065 4456 LEU 611 HA -0.0005 0.0012 0.0062 4457 LEU 611 C 0.0008 0.0010 0.0057 4458 LEU 611 O 0.0012 0.0009 0.0059 4459 LEU 611 CB 0.0001 0.0008 0.0078 4460 LEU 611 HB2 -0.0007 0.0009 0.0083 4461 LEU 611 HB3 0.0004 0.0007 0.0082 4462 LEU 611 CG 0.0011 0.0006 0.0081 4463 LEU 611 HG 0.0009 0.0007 0.0075 4464 LEU 611 CD1 0.0009 0.0005 0.0094 4465 LEU 611 HD11 0.0010 0.0004 0.0100 4466 LEU 611 HD12 0.0000 0.0006 0.0095 4467 LEU 611 HD13 0.0015 0.0003 0.0096 4468 LEU 611 CD2 0.0023 0.0004 0.0079 4469 LEU 611 HD21 0.0025 0.0003 0.0084 4470 LEU 611 HD22 0.0029 0.0003 0.0082 4471 LEU 611 HD23 0.0025 0.0005 0.0069 4472 TYR 612 N 0.0013 0.0010 0.0049 4473 TYR 612 HN 0.0011 0.0011 0.0049 4474 TYR 612 CA 0.0020 0.0010 0.0039 4475 TYR 612 HA 0.0019 0.0011 0.0039 4476 TYR 612 C 0.0033 0.0008 0.0039 4477 TYR 612 O 0.0039 0.0006 0.0044 4478 TYR 612 CB 0.0015 0.0013 0.0027 4479 TYR 612 HB2 0.0015 0.0014 0.0021 4480 TYR 612 HB3 0.0006 0.0015 0.0029 4481 TYR 612 CG 0.0021 0.0013 0.0021 4482 TYR 612 CD1 0.0024 0.0011 0.0027 4483 TYR 612 HD1 0.0022 0.0010 0.0037 4484 TYR 612 CD2 0.0023 0.0014 0.0009 4485 TYR 612 HD2 0.0021 0.0015 0.0004 4486 TYR 612 CE1 0.0029 0.0011 0.0022 4487 TYR 612 HE1 0.0031 0.0010 0.0026 4488 TYR 612 CE2 0.0028 0.0014 0.0003 4489 TYR 612 HE2 0.0029 0.0015 -0.0006 4490 TYR 612 CZ 0.0030 0.0013 0.0009 4491 TYR 612 OH 0.0035 0.0013 0.0004 4492 TYR 612 HH 0.0035 0.0014 -0.0005 4493 SER 613 N 0.0045 0.0005 0.0036 4494 SER 613 HN 0.0040 0.0006 0.0033 4495 SER 613 CA 0.0057 0.0003 0.0028 4496 SER 613 HA 0.0060 0.0003 0.0029 4497 SER 613 C 0.0054 0.0006 0.0013 4498 SER 613 O 0.0044 0.0008 0.0009 4499 SER 613 CB 0.0068 0.0001 0.0033 4500 SER 613 HB2 0.0065 0.0001 0.0032 4501 SER 613 HB3 0.0069 -0.0001 0.0044 4502 SER 613 OG 0.0080 -0.0001 0.0027 4503 SER 613 HG 0.0087 -0.0003 0.0031 4504 LYS 614 N 0.0065 0.0005 0.0005 4505 LYS 614 HN 0.0074 0.0003 0.0008 4506 LYS 614 CA 0.0064 0.0007 -0.0009 4507 LYS 614 HA 0.0058 0.0008 -0.0011 4508 LYS 614 C 0.0076 0.0005 -0.0017 4509 LYS 614 O 0.0087 0.0003 -0.0014 4510 LYS 614 CB 0.0056 0.0009 -0.0016 4511 LYS 614 HB2 0.0046 0.0010 -0.0011 4512 LYS 614 HB3 0.0061 0.0008 -0.0013 4513 LYS 614 CG 0.0054 0.0011 -0.0031 4514 LYS 614 HG2 0.0053 0.0012 -0.0034 4515 LYS 614 HG3 0.0044 0.0013 -0.0033 4516 LYS 614 CD 0.0065 0.0010 -0.0039 4517 LYS 614 HD2 0.0063 0.0012 -0.0050 4518 LYS 614 HD3 0.0074 0.0008 -0.0037 4519 LYS 614 CE 0.0065 0.0010 -0.0038 4520 LYS 614 HE2 0.0073 0.0009 -0.0044 4521 LYS 614 HE3 0.0067 0.0008 -0.0028 4522 LYS 614 NZ 0.0053 0.0013 -0.0042 4523 LYS 614 HZ1 0.0050 0.0014 -0.0051 4524 LYS 614 HZ2 0.0053 0.0013 -0.0041 4525 LYS 614 HZ3 0.0045 0.0013 -0.0035 4526 MET 615 N 0.0083 0.0004 -0.0024 4527 MET 615 HN 0.0073 0.0006 -0.0026 4528 MET 615 CA 0.0094 0.0004 -0.0036 4529 MET 615 HA 0.0104 0.0002 -0.0034 4530 MET 615 C 0.0088 0.0007 -0.0052 4531 MET 615 O 0.0075 0.0010 -0.0056 4532 MET 615 CB 0.0099 0.0004 -0.0038 4533 MET 615 HB2 0.0106 0.0004 -0.0050 4534 MET 615 HB3 0.0089 0.0005 -0.0039 4535 MET 615 CG 0.0110 0.0000 -0.0026 4536 MET 615 HG2 0.0121 -0.0001 -0.0025 4537 MET 615 HG3 0.0114 0.0000 -0.0031 4538 MET 615 SD 0.0102 -0.0001 -0.0007 4539 MET 615 CE 0.0115 -0.0004 0.0000 4540 MET 615 HE1 0.0111 -0.0005 0.0012 4541 MET 615 HE2 0.0127 -0.0006 0.0001 4542 MET 615 HE3 0.0114 -0.0003 -0.0007 4543 SER 616 N 0.0099 0.0007 -0.0061 4544 SER 616 HN 0.0109 0.0005 -0.0057 4545 SER 616 CA 0.0097 0.0009 -0.0078 4546 SER 616 HA 0.0086 0.0011 -0.0080 4547 SER 616 C 0.0098 0.0010 -0.0087 4548 SER 616 O 0.0107 0.0008 -0.0082 4549 SER 616 CB 0.0110 0.0008 -0.0085 4550 SER 616 HB2 0.0108 0.0010 -0.0098 4551 SER 616 HB3 0.0122 0.0006 -0.0084 4552 SER 616 OG 0.0110 0.0007 -0.0078 4553 SER 616 HG 0.0101 0.0009 -0.0081 4554 SER 617 N 0.0094 0.0013 -0.0098 4555 SER 617 HN 0.0087 0.0015 -0.0102 4556 SER 617 CA 0.0091 0.0015 -0.0106 4557 SER 617 HA 0.0087 0.0014 -0.0096 4558 SER 617 C 0.0105 0.0013 -0.0116 4559 SER 617 O 0.0103 0.0015 -0.0129 4560 SER 617 CB 0.0074 0.0019 -0.0117 4561 SER 617 HB2 0.0063 0.0019 -0.0109 4562 SER 617 HB3 0.0073 0.0020 -0.0124 4563 SER 617 OG 0.0075 0.0020 -0.0129 4564 SER 617 HG 0.0068 0.0020 -0.0124 4565 GLN 618 N 0.0121 0.0010 -0.0109 4566 GLN 618 HN 0.0122 0.0009 -0.0098 4567 GLN 618 CA 0.0136 0.0008 -0.0115 4568 GLN 618 HA 0.0133 0.0010 -0.0128 4569 GLN 618 C 0.0139 0.0006 -0.0104 4570 GLN 618 O 0.0146 0.0004 -0.0091 4571 GLN 618 CB 0.0150 0.0006 -0.0118 4572 GLN 618 HB2 0.0145 0.0008 -0.0123 4573 GLN 618 HB3 0.0155 0.0004 -0.0105 4574 GLN 618 CG 0.0165 0.0005 -0.0129 4575 GLN 618 HG2 0.0171 0.0005 -0.0134 4576 GLN 618 HG3 0.0161 0.0007 -0.0140 4577 GLN 618 CD 0.0179 0.0002 -0.0121 4578 GLN 618 OE1 0.0180 -0.0000 -0.0106 4579 GLN 618 NE2 0.0191 0.0001 -0.0132 4580 GLN 618 HE21 0.0200 -0.0001 -0.0126 4581 GLN 618 HE22 0.0190 0.0003 -0.0144 4582 SER 619 N 0.0133 0.0008 -0.0111 4583 SER 619 HN 0.0129 0.0010 -0.0122 4584 SER 619 CA 0.0130 0.0007 -0.0101 4585 SER 619 HA 0.0132 0.0005 -0.0089 4586 SER 619 C 0.0141 0.0006 -0.0105 4587 SER 619 O 0.0156 0.0004 -0.0105 4588 SER 619 CB 0.0112 0.0010 -0.0102 4589 SER 619 HB2 0.0104 0.0011 -0.0099 4590 SER 619 HB3 0.0108 0.0010 -0.0093 4591 SER 619 OG 0.0108 0.0013 -0.0118 4592 SER 619 HG 0.0098 0.0014 -0.0116 4593 MET 620 N 0.0135 0.0007 -0.0107 4594 MET 620 HN 0.0123 0.0009 -0.0109 4595 MET 620 CA 0.0144 0.0006 -0.0107 4596 MET 620 HA 0.0154 0.0006 -0.0115 4597 MET 620 C 0.0135 0.0008 -0.0115 4598 MET 620 O 0.0135 0.0010 -0.0130 4599 MET 620 CB 0.0151 0.0003 -0.0090 4600 MET 620 HB2 0.0141 0.0003 -0.0082 4601 MET 620 HB3 0.0156 0.0001 -0.0085 4602 MET 620 CG 0.0164 0.0001 -0.0091 4603 MET 620 HG2 0.0176 -0.0000 -0.0095 4604 MET 620 HG3 0.0161 0.0003 -0.0100 4605 MET 620 SD 0.0167 -0.0002 -0.0072 4606 MET 620 CE 0.0180 -0.0003 -0.0080 4607 MET 620 HE1 0.0184 -0.0005 -0.0070 4608 MET 620 HE2 0.0190 -0.0003 -0.0086 4609 MET 620 HE3 0.0173 -0.0001 -0.0088 4610 GLY 621 N 0.0129 0.0009 -0.0104 4611 GLY 621 HN 0.0128 0.0007 -0.0093 4612 GLY 621 CA 0.0124 0.0010 -0.0109 4613 GLY 621 HA2 0.0113 0.0011 -0.0104 4614 GLY 621 HA3 0.0125 0.0012 -0.0122 4615 GLY 621 C 0.0136 0.0007 -0.0103 4616 GLY 621 O 0.0150 0.0005 -0.0107 4617 PHE 622 N 0.0130 0.0007 -0.0092 4618 PHE 622 HN 0.0119 0.0008 -0.0090 4619 PHE 622 CA 0.0140 0.0004 -0.0083 4620 PHE 622 HA 0.0150 0.0003 -0.0091 4621 PHE 622 C 0.0131 0.0005 -0.0080 4622 PHE 622 O 0.0117 0.0007 -0.0079 4623 PHE 622 CB 0.0146 0.0000 -0.0067 4624 PHE 622 HB2 0.0151 -0.0000 -0.0070 4625 PHE 622 HB3 0.0135 0.0001 -0.0059 4626 PHE 622 CG 0.0158 -0.0003 -0.0059 4627 PHE 622 CD1 0.0173 -0.0005 -0.0066 4628 PHE 622 HD1 0.0176 -0.0003 -0.0078 4629 PHE 622 CD2 0.0155 -0.0005 -0.0043 4630 PHE 622 HD2 0.0144 -0.0004 -0.0037 4631 PHE 622 CE1 0.0185 -0.0008 -0.0058 4632 PHE 622 HE1 0.0196 -0.0009 -0.0063 4633 PHE 622 CE2 0.0167 -0.0008 -0.0034 4634 PHE 622 HE2 0.0165 -0.0010 -0.0022 4635 PHE 622 CZ 0.0182 -0.0010 -0.0042 4636 PHE 622 HZ 0.0191 -0.0012 -0.0035 4637 LEU 623 N 0.0141 0.0002 -0.0076 4638 LEU 623 HN 0.0153 0.0000 -0.0077 4639 LEU 623 CA 0.0135 0.0002 -0.0070 4640 LEU 623 HA 0.0123 0.0004 -0.0066 4641 LEU 623 C 0.0145 -0.0002 -0.0056 4642 LEU 623 O 0.0160 -0.0004 -0.0056 4643 LEU 623 CB 0.0136 0.0004 -0.0083 4644 LEU 623 HB2 0.0130 0.0007 -0.0094 4645 LEU 623 HB3 0.0149 0.0002 -0.0087 4646 LEU 623 CG 0.0127 0.0005 -0.0080 4647 LEU 623 HG 0.0127 0.0007 -0.0092 4648 LEU 623 CD1 0.0136 0.0002 -0.0069 4649 LEU 623 HD11 0.0136 0.0000 -0.0057 4650 LEU 623 HD12 0.0149 0.0000 -0.0074 4651 LEU 623 HD13 0.0131 0.0003 -0.0070 4652 LEU 623 CD2 0.0110 0.0008 -0.0075 4653 LEU 623 HD21 0.0109 0.0007 -0.0062 4654 LEU 623 HD22 0.0104 0.0009 -0.0074 4655 LEU 623 HD23 0.0103 0.0011 -0.0083 4656 GLU 624 N 0.0137 -0.0002 -0.0042 4657 GLU 624 HN 0.0125 0.0000 -0.0042 4658 GLU 624 CA 0.0144 -0.0005 -0.0027 4659 GLU 624 HA 0.0156 -0.0007 -0.0030 4660 GLU 624 C 0.0135 -0.0005 -0.0020 4661 GLU 624 O 0.0121 -0.0001 -0.0025 4662 GLU 624 CB 0.0144 -0.0007 -0.0014 4663 GLU 624 HB2 0.0142 -0.0006 -0.0020 4664 GLU 624 HB3 0.0134 -0.0006 -0.0005 4665 GLU 624 CG 0.0160 -0.0012 -0.0005 4666 GLU 624 HG2 0.0159 -0.0013 0.0002 4667 GLU 624 HG3 0.0170 -0.0012 -0.0013 4668 GLU 624 CD 0.0163 -0.0014 0.0007 4669 GLU 624 OE1 0.0159 -0.0015 0.0022 4670 GLU 624 OE2 0.0168 -0.0014 0.0002 4671 GLY 625 N 0.0142 -0.0008 -0.0009 4672 GLY 625 HN 0.0153 -0.0011 -0.0005 4673 GLY 625 CA 0.0137 -0.0008 -0.0001 4674 GLY 625 HA2 0.0137 -0.0007 -0.0011 4675 GLY 625 HA3 0.0145 -0.0011 0.0008 4676 GLY 625 C 0.0120 -0.0006 0.0006 4677 GLY 625 O 0.0111 -0.0004 0.0003 4678 ASN 626 N 0.0116 -0.0006 0.0016 4679 ASN 626 HN 0.0124 -0.0008 0.0019 4680 ASN 626 CA 0.0099 -0.0004 0.0022 4681 ASN 626 HA 0.0094 -0.0003 0.0025 4682 ASN 626 C 0.0090 -0.0000 0.0008 4683 ASN 626 O 0.0092 -0.0000 0.0004 4684 ASN 626 CB 0.0098 -0.0006 0.0038 4685 ASN 626 HB2 0.0103 -0.0007 0.0036 4686 ASN 626 HB3 0.0104 -0.0009 0.0048 4687 ASN 626 CG 0.0080 -0.0003 0.0044 4688 ASN 626 OD1 0.0069 -0.0000 0.0038 4689 ASN 626 ND2 0.0078 -0.0005 0.0056 4690 ASN 626 HD21 0.0067 -0.0003 0.0060 4691 ASN 626 HD22 0.0087 -0.0007 0.0060 4692 ARG 627 N 0.0081 0.0003 0.0000 4693 ARG 627 HN 0.0080 0.0002 0.0005 4694 ARG 627 CA 0.0072 0.0006 -0.0014 4695 ARG 627 HA 0.0081 0.0006 -0.0024 4696 ARG 627 C 0.0061 0.0008 -0.0015 4697 ARG 627 O 0.0059 0.0011 -0.0027 4698 ARG 627 CB 0.0063 0.0009 -0.0017 4699 ARG 627 HB2 0.0055 0.0009 -0.0007 4700 ARG 627 HB3 0.0055 0.0011 -0.0028 4701 ARG 627 CG 0.0074 0.0007 -0.0021 4702 ARG 627 HG2 0.0085 0.0004 -0.0014 4703 ARG 627 HG3 0.0077 0.0008 -0.0034 4704 ARG 627 CD 0.0066 0.0008 -0.0017 4705 ARG 627 HD2 0.0075 0.0007 -0.0022 4706 ARG 627 HD3 0.0055 0.0011 -0.0023 4707 ARG 627 NE 0.0064 0.0006 0.0001 4708 ARG 627 HE 0.0052 0.0008 0.0004 4709 ARG 627 CZ 0.0074 0.0003 0.0012 4710 ARG 627 NH1 0.0090 -0.0000 0.0008 4711 ARG 627 HH11 0.0094 0.0000 -0.0002 4712 ARG 627 HH12 0.0098 -0.0003 0.0017 4713 ARG 627 NH2 0.0069 0.0002 0.0026 4714 ARG 627 HH21 0.0058 0.0003 0.0029 4715 ARG 627 HH22 0.0077 -0.0001 0.0034 4716 PHE 628 N 0.0055 0.0008 -0.0000 4717 PHE 628 HN 0.0056 0.0006 0.0009 4718 PHE 628 CA 0.0046 0.0009 0.0002 4719 PHE 628 HA 0.0037 0.0012 -0.0007 4720 PHE 628 C 0.0055 0.0007 0.0002 4721 PHE 628 O 0.0048 0.0009 0.0001 4722 PHE 628 CB 0.0036 0.0009 0.0019 4723 PHE 628 HB2 0.0044 0.0006 0.0029 4724 PHE 628 HB3 0.0028 0.0010 0.0020 4725 PHE 628 CG 0.0025 0.0011 0.0020 4726 PHE 628 CD1 0.0011 0.0015 0.0011 4727 PHE 628 HD1 0.0008 0.0016 0.0003 4728 PHE 628 CD2 0.0029 0.0009 0.0030 4729 PHE 628 HD2 0.0039 0.0006 0.0037 4730 PHE 628 CE1 0.0001 0.0017 0.0012 4731 PHE 628 HE1 -0.0009 0.0020 0.0005 4732 PHE 628 CE2 0.0019 0.0011 0.0031 4733 PHE 628 HE2 0.0022 0.0009 0.0039 4734 PHE 628 CZ 0.0005 0.0015 0.0022 4735 PHE 628 HZ -0.0003 0.0016 0.0023 4736 LYS 629 N 0.0071 0.0004 0.0003 4737 LYS 629 HN 0.0077 0.0003 0.0004 4738 LYS 629 CA 0.0082 0.0002 0.0002 4739 LYS 629 HA 0.0077 0.0002 0.0008 4740 LYS 629 C 0.0087 0.0003 -0.0014 4741 LYS 629 O 0.0092 0.0004 -0.0025 4742 LYS 629 CB 0.0098 -0.0002 0.0011 4743 LYS 629 HB2 0.0105 -0.0003 0.0004 4744 LYS 629 HB3 0.0106 -0.0004 0.0010 4745 LYS 629 CG 0.0097 -0.0005 0.0029 4746 LYS 629 HG2 0.0089 -0.0004 0.0034 4747 LYS 629 HG3 0.0091 -0.0004 0.0030 4748 LYS 629 CD 0.0113 -0.0009 0.0037 4749 LYS 629 HD2 0.0110 -0.0010 0.0050 4750 LYS 629 HD3 0.0116 -0.0010 0.0038 4751 LYS 629 CE 0.0126 -0.0010 0.0030 4752 LYS 629 HE2 0.0129 -0.0009 0.0018 4753 LYS 629 HE3 0.0123 -0.0010 0.0028 4754 LYS 629 NZ 0.0141 -0.0015 0.0039 4755 LYS 629 HZ1 0.0146 -0.0015 0.0039 4756 LYS 629 HZ2 0.0149 -0.0015 0.0033 4757 LYS 629 HZ3 0.0139 -0.0016 0.0050 4758 LEU 630 N 0.0087 0.0004 -0.0017 4759 LEU 630 HN 0.0082 0.0003 -0.0009 4760 LEU 630 CA 0.0095 0.0004 -0.0030 4761 LEU 630 HA 0.0102 0.0004 -0.0037 4762 LEU 630 C 0.0107 0.0001 -0.0024 4763 LEU 630 O 0.0109 -0.0002 -0.0009 4764 LEU 630 CB 0.0082 0.0008 -0.0041 4765 LEU 630 HB2 0.0073 0.0010 -0.0043 4766 LEU 630 HB3 0.0076 0.0008 -0.0034 4767 LEU 630 CG 0.0086 0.0010 -0.0058 4768 LEU 630 HG 0.0093 0.0008 -0.0056 4769 LEU 630 CD1 0.0096 0.0009 -0.0068 4770 LEU 630 HD11 0.0090 0.0011 -0.0070 4771 LEU 630 HD12 0.0107 0.0006 -0.0063 4772 LEU 630 HD13 0.0098 0.0010 -0.0080 4773 LEU 630 CD2 0.0071 0.0014 -0.0067 4774 LEU 630 HD21 0.0063 0.0015 -0.0068 4775 LEU 630 HD22 0.0074 0.0015 -0.0079 4776 LEU 630 HD23 0.0064 0.0014 -0.0061 4777 LEU 631 N 0.0116 0.0001 -0.0035 4778 LEU 631 HN 0.0114 0.0003 -0.0047 4779 LEU 631 CA 0.0128 -0.0002 -0.0031 4780 LEU 631 HA 0.0126 -0.0003 -0.0019 4781 LEU 631 C 0.0128 -0.0000 -0.0042 4782 LEU 631 O 0.0126 0.0002 -0.0057 4783 LEU 631 CB 0.0145 -0.0005 -0.0031 4784 LEU 631 HB2 0.0143 -0.0005 -0.0026 4785 LEU 631 HB3 0.0149 -0.0004 -0.0044 4786 LEU 631 CG 0.0160 -0.0009 -0.0022 4787 LEU 631 HG 0.0156 -0.0010 -0.0009 4788 LEU 631 CD1 0.0174 -0.0011 -0.0024 4789 LEU 631 HD11 0.0178 -0.0010 -0.0037 4790 LEU 631 HD12 0.0171 -0.0011 -0.0020 4791 LEU 631 HD13 0.0184 -0.0014 -0.0017 4792 LEU 631 CD2 0.0164 -0.0009 -0.0027 4793 LEU 631 HD21 0.0163 -0.0007 -0.0040 4794 LEU 631 HD22 0.0176 -0.0012 -0.0023 4795 LEU 631 HD23 0.0156 -0.0008 -0.0020 4796 PHE 632 N 0.0130 -0.0002 -0.0036 4797 PHE 632 HN 0.0131 -0.0004 -0.0024 4798 PHE 632 CA 0.0133 -0.0001 -0.0045 4799 PHE 632 HA 0.0136 0.0000 -0.0057 4800 PHE 632 C 0.0147 -0.0004 -0.0039 4801 PHE 632 O 0.0149 -0.0007 -0.0024 4802 PHE 632 CB 0.0117 0.0002 -0.0047 4803 PHE 632 HB2 0.0112 0.0001 -0.0034 4804 PHE 632 HB3 0.0120 0.0002 -0.0053 4805 PHE 632 CG 0.0105 0.0006 -0.0056 4806 PHE 632 CD1 0.0107 0.0008 -0.0073 4807 PHE 632 HD1 0.0117 0.0007 -0.0079 4808 PHE 632 CD2 0.0091 0.0007 -0.0049 4809 PHE 632 HD2 0.0090 0.0005 -0.0036 4810 PHE 632 CE1 0.0096 0.0011 -0.0082 4811 PHE 632 HE1 0.0097 0.0012 -0.0095 4812 PHE 632 CE2 0.0080 0.0010 -0.0058 4813 PHE 632 HE2 0.0069 0.0011 -0.0052 4814 PHE 632 CZ 0.0082 0.0012 -0.0075 4815 PHE 632 HZ 0.0073 0.0015 -0.0082 4816 LYS 633 N 0.0158 -0.0005 -0.0051 4817 LYS 633 HN 0.0155 -0.0003 -0.0063 4818 LYS 633 CA 0.0173 -0.0008 -0.0048 4819 LYS 633 HA 0.0172 -0.0009 -0.0035 4820 LYS 633 C 0.0172 -0.0006 -0.0058 4821 LYS 633 O 0.0164 -0.0003 -0.0070 4822 LYS 633 CB 0.0189 -0.0010 -0.0051 4823 LYS 633 HB2 0.0200 -0.0012 -0.0051 4824 LYS 633 HB3 0.0191 -0.0011 -0.0041 4825 LYS 633 CG 0.0191 -0.0008 -0.0067 4826 LYS 633 HG2 0.0204 -0.0010 -0.0068 4827 LYS 633 HG3 0.0183 -0.0007 -0.0066 4828 LYS 633 CD 0.0187 -0.0005 -0.0084 4829 LYS 633 HD2 0.0173 -0.0003 -0.0083 4830 LYS 633 HD3 0.0188 -0.0003 -0.0094 4831 LYS 633 CE 0.0196 -0.0005 -0.0089 4832 LYS 633 HE2 0.0206 -0.0006 -0.0098 4833 LYS 633 HE3 0.0202 -0.0008 -0.0079 4834 LYS 633 NZ 0.0185 -0.0003 -0.0097 4835 LYS 633 HZ1 0.0178 -0.0000 -0.0106 4836 LYS 633 HZ2 0.0192 -0.0003 -0.0103 4837 LYS 633 HZ3 0.0177 -0.0003 -0.0088 4838 VAL 634 N 0.0182 -0.0009 -0.0052 4839 VAL 634 HN 0.0188 -0.0011 -0.0041 4840 VAL 634 CA 0.0185 -0.0008 -0.0060 4841 VAL 634 HA 0.0176 -0.0005 -0.0069 4842 VAL 634 C 0.0202 -0.0009 -0.0069 4843 VAL 634 O 0.0214 -0.0012 -0.0064 4844 VAL 634 CB 0.0184 -0.0010 -0.0048 4845 VAL 634 HB 0.0188 -0.0009 -0.0055 4846 VAL 634 CG1 0.0167 -0.0008 -0.0042 4847 VAL 634 HG11 0.0162 -0.0008 -0.0034 4848 VAL 634 HG12 0.0158 -0.0005 -0.0052 4849 VAL 634 HG13 0.0166 -0.0009 -0.0034 4850 VAL 634 CG2 0.0197 -0.0014 -0.0033 4851 VAL 634 HG21 0.0193 -0.0014 -0.0025 4852 VAL 634 HG22 0.0196 -0.0015 -0.0026 4853 VAL 634 HG23 0.0209 -0.0015 -0.0038 4854 ALA 635 N 0.0206 -0.0008 -0.0080 4855 ALA 635 HN 0.0195 -0.0006 -0.0085 4856 ALA 635 CA 0.0222 -0.0008 -0.0091 4857 ALA 635 HA 0.0219 -0.0007 -0.0098 4858 ALA 635 C 0.0225 -0.0006 -0.0106 4859 ALA 635 O 0.0213 -0.0004 -0.0110 4860 ALA 635 CB 0.0238 -0.0013 -0.0080 4861 ALA 635 HB1 0.0243 -0.0014 -0.0073 4862 ALA 635 HB2 0.0235 -0.0014 -0.0070 4863 ALA 635 HB3 0.0249 -0.0013 -0.0089 4864 LEU 636 N 0.0241 -0.0007 -0.0114 4865 LEU 636 HN 0.0251 -0.0009 -0.0110 4866 LEU 636 CA 0.0246 -0.0005 -0.0130 4867 LEU 636 HA 0.0234 -0.0002 -0.0138 4868 LEU 636 C 0.0252 -0.0007 -0.0125 4869 LEU 636 O 0.0245 -0.0005 -0.0131 4870 LEU 636 CB 0.0261 -0.0006 -0.0141 4871 LEU 636 HB2 0.0272 -0.0009 -0.0133 4872 LEU 636 HB3 0.0265 -0.0005 -0.0151 4873 LEU 636 CG 0.0256 -0.0003 -0.0152 4874 LEU 636 HG 0.0244 -0.0000 -0.0160 4875 LEU 636 CD1 0.0251 -0.0004 -0.0141 4876 LEU 636 HD11 0.0262 -0.0007 -0.0132 4877 LEU 636 HD12 0.0238 -0.0004 -0.0133 4878 LEU 636 HD13 0.0248 -0.0003 -0.0149 4879 LEU 636 CD2 0.0271 -0.0003 -0.0165 4880 LEU 636 HD21 0.0283 -0.0006 -0.0158 4881 LEU 636 HD22 0.0267 -0.0001 -0.0174 4882 LEU 636 HD23 0.0274 -0.0002 -0.0174 4883 GLU 637 N 0.0265 -0.0010 -0.0113 4884 GLU 637 HN 0.0269 -0.0012 -0.0108 4885 GLU 637 CA 0.0273 -0.0013 -0.0106 4886 GLU 637 HA 0.0274 -0.0011 -0.0116 4887 GLU 637 C 0.0262 -0.0014 -0.0091 4888 GLU 637 O 0.0258 -0.0016 -0.0078 4889 GLU 637 CB 0.0291 -0.0017 -0.0100 4890 GLU 637 HB2 0.0297 -0.0018 -0.0094 4891 GLU 637 HB3 0.0300 -0.0016 -0.0111 4892 GLU 637 CG 0.0294 -0.0019 -0.0087 4893 GLU 637 HG2 0.0307 -0.0022 -0.0082 4894 GLU 637 HG3 0.0284 -0.0020 -0.0076 4895 GLU 637 CD 0.0292 -0.0017 -0.0095 4896 GLU 637 OE1 0.0305 -0.0019 -0.0097 4897 GLU 637 OE2 0.0277 -0.0015 -0.0100 4898 ASP 638 N 0.0256 -0.0013 -0.0093 4899 ASP 638 HN 0.0259 -0.0011 -0.0104 4900 ASP 638 CA 0.0245 -0.0013 -0.0082 4901 ASP 638 HA 0.0234 -0.0012 -0.0078 4902 ASP 638 C 0.0254 -0.0017 -0.0065 4903 ASP 638 O 0.0252 -0.0018 -0.0059 4904 ASP 638 CB 0.0238 -0.0010 -0.0093 4905 ASP 638 HB2 0.0249 -0.0011 -0.0096 4906 ASP 638 HB3 0.0232 -0.0007 -0.0104 4907 ASP 638 CG 0.0224 -0.0010 -0.0083 4908 ASP 638 OD1 0.0229 -0.0011 -0.0079 4909 ASP 638 OD2 0.0210 -0.0009 -0.0080 4910 VAL 639 N 0.0263 -0.0021 -0.0058 4911 VAL 639 HN 0.0262 -0.0020 -0.0063 4912 VAL 639 CA 0.0274 -0.0025 -0.0044 4913 VAL 639 HA 0.0282 -0.0025 -0.0049 4914 VAL 639 C 0.0265 -0.0026 -0.0028 4915 VAL 639 O 0.0254 -0.0025 -0.0021 4916 VAL 639 CB 0.0287 -0.0027 -0.0041 4917 VAL 639 HB 0.0294 -0.0030 -0.0030 4918 VAL 639 CG1 0.0277 -0.0026 -0.0036 4919 VAL 639 HG11 0.0269 -0.0023 -0.0047 4920 VAL 639 HG12 0.0287 -0.0028 -0.0034 4921 VAL 639 HG13 0.0270 -0.0027 -0.0024 4922 VAL 639 CG2 0.0299 -0.0026 -0.0056 4923 VAL 639 HG21 0.0293 -0.0023 -0.0067 4924 VAL 639 HG22 0.0307 -0.0027 -0.0058 4925 VAL 639 HG23 0.0309 -0.0028 -0.0053 4926 GLN 640 N 0.0271 -0.0028 -0.0022 4927 GLN 640 HN 0.0280 -0.0028 -0.0027 4928 GLN 640 CA 0.0264 -0.0029 -0.0007 4929 GLN 640 HA 0.0251 -0.0027 -0.0009 4930 GLN 640 C 0.0265 -0.0032 0.0010 4931 GLN 640 O 0.0276 -0.0034 0.0011 4932 GLN 640 CB 0.0272 -0.0031 -0.0004 4933 GLN 640 HB2 0.0286 -0.0033 -0.0003 4934 GLN 640 HB3 0.0267 -0.0032 0.0008 4935 GLN 640 CG 0.0268 -0.0028 -0.0019 4936 GLN 640 HG2 0.0274 -0.0027 -0.0031 4937 GLN 640 HG3 0.0254 -0.0025 -0.0020 4938 GLN 640 CD 0.0273 -0.0029 -0.0015 4939 GLN 640 OE1 0.0263 -0.0029 -0.0009 4940 GLN 640 NE2 0.0290 -0.0031 -0.0018 4941 GLN 640 HE21 0.0293 -0.0032 -0.0015 4942 GLN 640 HE22 0.0297 -0.0032 -0.0023 4943 ILE 641 N 0.0254 -0.0032 0.0021 4944 ILE 641 HN 0.0247 -0.0031 0.0020 4945 ILE 641 CA 0.0250 -0.0034 0.0036 4946 ILE 641 HA 0.0243 -0.0034 0.0044 4947 ILE 641 C 0.0238 -0.0031 0.0032 4948 ILE 641 O 0.0225 -0.0031 0.0040 4949 ILE 641 CB 0.0266 -0.0038 0.0047 4950 ILE 641 HB 0.0275 -0.0038 0.0039 4951 ILE 641 CG1 0.0275 -0.0041 0.0055 4952 ILE 641 HG12 0.0284 -0.0044 0.0063 4953 ILE 641 HG13 0.0266 -0.0041 0.0062 4954 ILE 641 CG2 0.0261 -0.0040 0.0062 4955 ILE 641 HG21 0.0251 -0.0040 0.0070 4956 ILE 641 HG22 0.0255 -0.0038 0.0057 4957 ILE 641 HG23 0.0272 -0.0043 0.0069 4958 ILE 641 CD1 0.0285 -0.0040 0.0042 4959 ILE 641 HD11 0.0293 -0.0040 0.0034 4960 ILE 641 HD12 0.0276 -0.0038 0.0035 4961 ILE 641 HD13 0.0293 -0.0043 0.0050 4962 SER 642 N 0.0241 -0.0030 0.0019 4963 SER 642 HN 0.0251 -0.0031 0.0012 4964 SER 642 CA 0.0229 -0.0027 0.0013 4965 SER 642 HA 0.0226 -0.0028 0.0024 4966 SER 642 C 0.0212 -0.0023 0.0006 4967 SER 642 O 0.0204 -0.0021 -0.0004 4968 SER 642 CB 0.0238 -0.0027 -0.0000 4969 SER 642 HB2 0.0251 -0.0029 0.0004 4970 SER 642 HB3 0.0231 -0.0025 -0.0001 4971 SER 642 OG 0.0239 -0.0024 -0.0017 4972 SER 642 HG 0.0245 -0.0025 -0.0017 4973 LYS 643 N 0.0204 -0.0023 0.0010 4974 LYS 643 HN 0.0209 -0.0025 0.0021 4975 LYS 643 CA 0.0192 -0.0019 0.0003 4976 LYS 643 HA 0.0189 -0.0017 -0.0009 4977 LYS 643 C 0.0176 -0.0018 0.0014 4978 LYS 643 O 0.0174 -0.0019 0.0026 4979 LYS 643 CB 0.0199 -0.0020 0.0001 4980 LYS 643 HB2 0.0202 -0.0023 0.0014 4981 LYS 643 HB3 0.0189 -0.0017 -0.0004 4982 LYS 643 CG 0.0215 -0.0022 -0.0010 4983 LYS 643 HG2 0.0224 -0.0025 -0.0004 4984 LYS 643 HG3 0.0219 -0.0022 -0.0010 4985 LYS 643 CD 0.0214 -0.0019 -0.0028 4986 LYS 643 HD2 0.0227 -0.0021 -0.0032 4987 LYS 643 HD3 0.0206 -0.0017 -0.0028 4988 LYS 643 CE 0.0209 -0.0016 -0.0042 4989 LYS 643 HE2 0.0205 -0.0013 -0.0052 4990 LYS 643 HE3 0.0199 -0.0014 -0.0037 4991 LYS 643 NZ 0.0223 -0.0017 -0.0048 4992 LYS 643 HZ1 0.0234 -0.0019 -0.0049 4993 LYS 643 HZ2 0.0221 -0.0015 -0.0060 4994 LYS 643 HZ3 0.0224 -0.0019 -0.0041 4995 ASP 644 N 0.0163 -0.0014 0.0009 4996 ASP 644 HN 0.0165 -0.0013 -0.0001 4997 ASP 644 CA 0.0147 -0.0012 0.0016 4998 ASP 644 HA 0.0148 -0.0015 0.0030 4999 ASP 644 C 0.0138 -0.0010 0.0012 5000 ASP 644 O 0.0135 -0.0007 -0.0003 5001 ASP 644 CB 0.0136 -0.0009 0.0012 5002 ASP 644 HB2 0.0123 -0.0006 0.0011 5003 ASP 644 HB3 0.0140 -0.0008 -0.0001 5004 ASP 644 CG 0.0136 -0.0011 0.0024 5005 ASP 644 OD1 0.0129 -0.0012 0.0038 5006 ASP 644 OD2 0.0144 -0.0012 0.0020 5007 THR 645 N 0.0132 -0.0011 0.0023 5008 THR 645 HN 0.0134 -0.0013 0.0034 5009 THR 645 CA 0.0123 -0.0009 0.0021 5010 THR 645 HA 0.0127 -0.0008 0.0009 5011 THR 645 C 0.0105 -0.0006 0.0020 5012 THR 645 O 0.0095 -0.0005 0.0031 5013 THR 645 CB 0.0127 -0.0011 0.0033 5014 THR 645 HB 0.0123 -0.0012 0.0046 5015 THR 645 OG1 0.0144 -0.0015 0.0034 5016 THR 645 HG1 0.0149 -0.0015 0.0033 5017 THR 645 CG2 0.0119 -0.0010 0.0030 5018 THR 645 HG21 0.0123 -0.0009 0.0018 5019 THR 645 HG22 0.0106 -0.0007 0.0030 5020 THR 645 HG23 0.0123 -0.0011 0.0039 5021 LEU 646 N 0.0101 -0.0003 0.0006 5022 LEU 646 HN 0.0109 -0.0004 -0.0002 5023 LEU 646 CA 0.0085 0.0000 0.0002 5024 LEU 646 HA 0.0078 0.0000 0.0013 5025 LEU 646 C 0.0077 0.0003 -0.0009 5026 LEU 646 O 0.0084 0.0003 -0.0019 5027 LEU 646 CB 0.0086 0.0001 -0.0004 5028 LEU 646 HB2 0.0091 -0.0001 0.0006 5029 LEU 646 HB3 0.0096 0.0000 -0.0014 5030 LEU 646 CG 0.0071 0.0004 -0.0012 5031 LEU 646 HG 0.0068 0.0006 -0.0023 5032 LEU 646 CD1 0.0056 0.0006 -0.0001 5033 LEU 646 HD11 0.0060 0.0004 0.0010 5034 LEU 646 HD12 0.0052 0.0006 0.0003 5035 LEU 646 HD13 0.0047 0.0008 -0.0007 5036 LEU 646 CD2 0.0076 0.0004 -0.0019 5037 LEU 646 HD21 0.0081 0.0002 -0.0009 5038 LEU 646 HD22 0.0066 0.0007 -0.0024 5039 LEU 646 HD23 0.0086 0.0004 -0.0028 5040 SER 647 N 0.0061 0.0007 -0.0007 5041 SER 647 HN 0.0055 0.0007 -0.0001 5042 SER 647 CA 0.0051 0.0010 -0.0013 5043 SER 647 HA 0.0039 0.0012 -0.0010 5044 SER 647 C 0.0053 0.0008 -0.0006 5045 SER 647 O 0.0051 0.0010 -0.0013 5046 SER 647 CB 0.0051 0.0012 -0.0031 5047 SER 647 HB2 0.0046 0.0014 -0.0035 5048 SER 647 HB3 0.0063 0.0011 -0.0036 5049 SER 647 OG 0.0041 0.0015 -0.0038 5050 SER 647 HG 0.0036 0.0018 -0.0047 5051 GLN 648 N 0.0056 0.0005 0.0010 5052 GLN 648 HN 0.0059 0.0004 0.0015 5053 GLN 648 CA 0.0054 0.0004 0.0020 5054 GLN 648 HA 0.0057 0.0005 0.0013 5055 GLN 648 C 0.0037 0.0007 0.0025 5056 GLN 648 O 0.0032 0.0007 0.0034 5057 GLN 648 CB 0.0066 -0.0000 0.0034 5058 GLN 648 HB2 0.0078 -0.0002 0.0029 5059 GLN 648 HB3 0.0065 -0.0001 0.0039 5060 GLN 648 CG 0.0064 -0.0001 0.0047 5061 GLN 648 HG2 0.0062 -0.0000 0.0041 5062 GLN 648 HG3 0.0053 -0.0000 0.0054 5063 GLN 648 CD 0.0077 -0.0006 0.0058 5064 GLN 648 OE1 0.0083 -0.0007 0.0060 5065 GLN 648 NE2 0.0082 -0.0008 0.0065 5066 GLN 648 HE21 0.0090 -0.0011 0.0073 5067 GLN 648 HE22 0.0076 -0.0006 0.0063 5068 LEU 649 N 0.0029 0.0010 0.0018 5069 LEU 649 HN 0.0034 0.0010 0.0012 5070 LEU 649 CA 0.0012 0.0014 0.0017 5071 LEU 649 HA 0.0008 0.0014 0.0022 5072 LEU 649 C 0.0004 0.0014 0.0027 5073 LEU 649 O 0.0010 0.0012 0.0034 5074 LEU 649 CB 0.0007 0.0017 -0.0000 5075 LEU 649 HB2 0.0018 0.0016 -0.0007 5076 LEU 649 HB3 -0.0000 0.0019 -0.0002 5077 LEU 649 CG -0.0000 0.0020 -0.0008 5078 LEU 649 HG -0.0004 0.0022 -0.0019 5079 LEU 649 CD1 -0.0015 0.0022 0.0001 5080 LEU 649 HD11 -0.0013 0.0020 0.0013 5081 LEU 649 HD12 -0.0023 0.0023 0.0002 5082 LEU 649 HD13 -0.0021 0.0024 -0.0006 5083 LEU 649 CD2 0.0012 0.0018 -0.0010 5084 LEU 649 HD21 0.0017 0.0015 0.0001 5085 LEU 649 HD22 0.0006 0.0020 -0.0015 5086 LEU 649 HD23 0.0021 0.0017 -0.0018 5087 GLU 650 N -0.0012 0.0017 0.0028 5088 GLU 650 HN -0.0016 0.0019 0.0023 5089 GLU 650 CA -0.0024 0.0019 0.0034 5090 GLU 650 HA -0.0021 0.0017 0.0046 5091 GLU 650 C -0.0024 0.0020 0.0024 5092 GLU 650 O -0.0022 0.0019 0.0031 5093 GLU 650 CB -0.0039 0.0022 0.0034 5094 GLU 650 HB2 -0.0038 0.0021 0.0043 5095 GLU 650 HB3 -0.0041 0.0024 0.0023 5096 GLU 650 CG -0.0054 0.0025 0.0039 5097 GLU 650 HG2 -0.0053 0.0023 0.0050 5098 GLU 650 HG3 -0.0057 0.0026 0.0030 5099 GLU 650 CD -0.0068 0.0027 0.0039 5100 GLU 650 OE1 -0.0070 0.0029 0.0027 5101 GLU 650 OE2 -0.0075 0.0027 0.0051 5102 GLU 651 N -0.0027 0.0023 0.0008 5103 GLU 651 HN -0.0029 0.0024 0.0004 5104 GLU 651 CA -0.0028 0.0025 -0.0003 5105 GLU 651 HA -0.0024 0.0023 0.0003 5106 GLU 651 C -0.0018 0.0025 -0.0018 5107 GLU 651 O -0.0014 0.0025 -0.0023 5108 GLU 651 CB -0.0046 0.0029 -0.0007 5109 GLU 651 HB2 -0.0052 0.0028 0.0004 5110 GLU 651 HB3 -0.0051 0.0030 -0.0013 5111 GLU 651 CG -0.0050 0.0031 -0.0018 5112 GLU 651 HG2 -0.0045 0.0032 -0.0030 5113 GLU 651 HG3 -0.0062 0.0034 -0.0019 5114 GLU 651 CD -0.0042 0.0029 -0.0013 5115 GLU 651 OE1 -0.0029 0.0027 -0.0018 5116 GLU 651 OE2 -0.0050 0.0029 -0.0003 5117 VAL 652 N -0.0013 0.0025 -0.0026 5118 VAL 652 HN -0.0018 0.0025 -0.0022 5119 VAL 652 CA -0.0003 0.0025 -0.0040 5120 VAL 652 HA 0.0008 0.0023 -0.0038 5121 VAL 652 C -0.0011 0.0028 -0.0054 5122 VAL 652 O -0.0003 0.0028 -0.0061 5123 VAL 652 CB 0.0000 0.0025 -0.0045 5124 VAL 652 HB -0.0011 0.0027 -0.0047 5125 VAL 652 CG1 0.0009 0.0022 -0.0032 5126 VAL 652 HG11 0.0020 0.0019 -0.0029 5127 VAL 652 HG12 0.0011 0.0022 -0.0036 5128 VAL 652 HG13 0.0001 0.0022 -0.0021 5129 VAL 652 CG2 0.0010 0.0025 -0.0061 5130 VAL 652 HG21 0.0021 0.0023 -0.0060 5131 VAL 652 HG22 0.0004 0.0028 -0.0071 5132 VAL 652 HG23 0.0013 0.0025 -0.0064 5133 GLU 653 N -0.0026 0.0032 -0.0057 5134 GLU 653 HN -0.0032 0.0032 -0.0051 5135 GLU 653 CA -0.0036 0.0035 -0.0067 5136 GLU 653 HA -0.0031 0.0036 -0.0079 5137 GLU 653 C -0.0034 0.0035 -0.0065 5138 GLU 653 O -0.0031 0.0035 -0.0076 5139 GLU 653 CB -0.0053 0.0038 -0.0066 5140 GLU 653 HB2 -0.0058 0.0038 -0.0054 5141 GLU 653 HB3 -0.0060 0.0041 -0.0075 5142 GLU 653 CG -0.0055 0.0039 -0.0069 5143 GLU 653 HG2 -0.0049 0.0037 -0.0060 5144 GLU 653 HG3 -0.0051 0.0040 -0.0080 5145 GLU 653 CD -0.0072 0.0042 -0.0068 5146 GLU 653 OE1 -0.0080 0.0042 -0.0056 5147 GLU 653 OE2 -0.0077 0.0045 -0.0079 5148 ARG 654 N -0.0037 0.0033 -0.0050 5149 ARG 654 HN -0.0040 0.0032 -0.0041 5150 ARG 654 CA -0.0035 0.0032 -0.0045 5151 ARG 654 HA -0.0042 0.0034 -0.0052 5152 ARG 654 C -0.0018 0.0029 -0.0048 5153 ARG 654 O -0.0017 0.0030 -0.0055 5154 ARG 654 CB -0.0039 0.0030 -0.0028 5155 ARG 654 HB2 -0.0032 0.0028 -0.0020 5156 ARG 654 HB3 -0.0037 0.0030 -0.0025 5157 ARG 654 CG -0.0056 0.0033 -0.0023 5158 ARG 654 HG2 -0.0058 0.0033 -0.0023 5159 ARG 654 HG3 -0.0064 0.0036 -0.0032 5160 ARG 654 CD -0.0062 0.0032 -0.0007 5161 ARG 654 HD2 -0.0053 0.0029 0.0002 5162 ARG 654 HD3 -0.0073 0.0034 -0.0003 5163 ARG 654 NE -0.0065 0.0033 -0.0009 5164 ARG 654 HE -0.0066 0.0034 -0.0020 5165 ARG 654 CZ -0.0068 0.0032 0.0002 5166 ARG 654 NH1 -0.0068 0.0030 0.0018 5167 ARG 654 HH11 -0.0069 0.0029 0.0021 5168 ARG 654 HH12 -0.0071 0.0029 0.0026 5169 ARG 654 NH2 -0.0071 0.0033 -0.0002 5170 ARG 654 HH21 -0.0075 0.0035 -0.0012 5171 ARG 654 HH22 -0.0075 0.0032 0.0007 5172 LYS 655 N -0.0006 0.0026 -0.0045 5173 LYS 655 HN -0.0008 0.0025 -0.0039 5174 LYS 655 CA 0.0010 0.0023 -0.0049 5175 LYS 655 HA 0.0013 0.0022 -0.0044 5176 LYS 655 C 0.0013 0.0025 -0.0067 5177 LYS 655 O 0.0020 0.0025 -0.0072 5178 LYS 655 CB 0.0022 0.0020 -0.0042 5179 LYS 655 HB2 0.0020 0.0019 -0.0029 5180 LYS 655 HB3 0.0018 0.0022 -0.0047 5181 LYS 655 CG 0.0039 0.0017 -0.0047 5182 LYS 655 HG2 0.0041 0.0019 -0.0060 5183 LYS 655 HG3 0.0043 0.0016 -0.0042 5184 LYS 655 CD 0.0050 0.0015 -0.0041 5185 LYS 655 HD2 0.0044 0.0016 -0.0039 5186 LYS 655 HD3 0.0054 0.0012 -0.0029 5187 LYS 655 CE 0.0064 0.0013 -0.0052 5188 LYS 655 HE2 0.0071 0.0012 -0.0054 5189 LYS 655 HE3 0.0061 0.0016 -0.0063 5190 LYS 655 NZ 0.0075 0.0010 -0.0045 5191 LYS 655 HZ1 0.0082 0.0008 -0.0036 5192 LYS 655 HZ2 0.0082 0.0010 -0.0053 5193 LYS 655 HZ3 0.0068 0.0011 -0.0039 5194 LEU 656 N 0.0008 0.0027 -0.0077 5195 LEU 656 HN 0.0003 0.0028 -0.0071 5196 LEU 656 CA 0.0010 0.0030 -0.0094 5197 LEU 656 HA 0.0022 0.0028 -0.0097 5198 LEU 656 C 0.0004 0.0032 -0.0102 5199 LEU 656 O 0.0014 0.0031 -0.0110 5200 LEU 656 CB 0.0002 0.0032 -0.0101 5201 LEU 656 HB2 -0.0011 0.0034 -0.0096 5202 LEU 656 HB3 0.0001 0.0034 -0.0114 5203 LEU 656 CG 0.0009 0.0030 -0.0098 5204 LEU 656 HG 0.0012 0.0028 -0.0085 5205 LEU 656 CD1 -0.0002 0.0033 -0.0102 5206 LEU 656 HD11 -0.0005 0.0035 -0.0115 5207 LEU 656 HD12 -0.0013 0.0034 -0.0095 5208 LEU 656 HD13 0.0004 0.0032 -0.0100 5209 LEU 656 CD2 0.0025 0.0028 -0.0107 5210 LEU 656 HD21 0.0024 0.0031 -0.0120 5211 LEU 656 HD22 0.0031 0.0027 -0.0105 5212 LEU 656 HD23 0.0034 0.0026 -0.0104 5213 GLU 657 N -0.0011 0.0034 -0.0098 5214 GLU 657 HN -0.0018 0.0034 -0.0092 5215 GLU 657 CA -0.0017 0.0035 -0.0103 5216 GLU 657 HA -0.0015 0.0037 -0.0116 5217 GLU 657 C -0.0008 0.0033 -0.0097 5218 GLU 657 O -0.0007 0.0034 -0.0106 5219 GLU 657 CB -0.0035 0.0038 -0.0101 5220 GLU 657 HB2 -0.0039 0.0037 -0.0090 5221 GLU 657 HB3 -0.0038 0.0038 -0.0099 5222 GLU 657 CG -0.0045 0.0042 -0.0115 5223 GLU 657 HG2 -0.0058 0.0043 -0.0113 5224 GLU 657 HG3 -0.0044 0.0042 -0.0118 5225 GLU 657 CD -0.0040 0.0043 -0.0131 5226 GLU 657 OE1 -0.0043 0.0043 -0.0132 5227 GLU 657 OE2 -0.0033 0.0043 -0.0141 5228 SER 658 N -0.0001 0.0030 -0.0083 5229 SER 658 HN -0.0003 0.0029 -0.0076 5230 SER 658 CA 0.0010 0.0028 -0.0077 5231 SER 658 HA 0.0003 0.0029 -0.0078 5232 SER 658 C 0.0024 0.0027 -0.0088 5233 SER 658 O 0.0028 0.0027 -0.0093 5234 SER 658 CB 0.0014 0.0024 -0.0060 5235 SER 658 HB2 0.0004 0.0025 -0.0053 5236 SER 658 HB3 0.0018 0.0023 -0.0055 5237 SER 658 OG 0.0027 0.0022 -0.0056 5238 SER 658 HG 0.0025 0.0023 -0.0061 5239 SER 659 N 0.0033 0.0025 -0.0093 5240 SER 659 HN 0.0029 0.0025 -0.0088 5241 SER 659 CA 0.0046 0.0025 -0.0104 5242 SER 659 HA 0.0055 0.0023 -0.0100 5243 SER 659 C 0.0041 0.0028 -0.0120 5244 SER 659 O 0.0050 0.0028 -0.0127 5245 SER 659 CB 0.0053 0.0024 -0.0106 5246 SER 659 HB2 0.0055 0.0022 -0.0094 5247 SER 659 HB3 0.0065 0.0023 -0.0112 5248 SER 659 OG 0.0044 0.0027 -0.0114 5249 SER 659 HG 0.0033 0.0028 -0.0111 5250 ARG 660 N 0.0028 0.0031 -0.0127 5251 ARG 660 HN 0.0021 0.0031 -0.0121 5252 ARG 660 CA 0.0021 0.0034 -0.0141 5253 ARG 660 HA 0.0031 0.0034 -0.0150 5254 ARG 660 C 0.0018 0.0035 -0.0141 5255 ARG 660 O 0.0024 0.0036 -0.0152 5256 ARG 660 CB 0.0007 0.0038 -0.0147 5257 ARG 660 HB2 -0.0004 0.0038 -0.0140 5258 ARG 660 HB3 0.0004 0.0040 -0.0159 5259 ARG 660 CG 0.0009 0.0038 -0.0149 5260 ARG 660 HG2 0.0006 0.0036 -0.0137 5261 ARG 660 HG3 0.0021 0.0036 -0.0152 5262 ARG 660 CD -0.0002 0.0041 -0.0161 5263 ARG 660 HD2 0.0003 0.0042 -0.0173 5264 ARG 660 HD3 -0.0014 0.0043 -0.0161 5265 ARG 660 NE -0.0004 0.0041 -0.0157 5266 ARG 660 HE 0.0003 0.0040 -0.0163 5267 ARG 660 CZ -0.0014 0.0041 -0.0146 5268 ARG 660 NH1 -0.0024 0.0041 -0.0138 5269 ARG 660 HH11 -0.0026 0.0042 -0.0141 5270 ARG 660 HH12 -0.0031 0.0041 -0.0129 5271 ARG 660 NH2 -0.0014 0.0040 -0.0143 5272 ARG 660 HH21 -0.0006 0.0040 -0.0149 5273 ARG 660 HH22 -0.0022 0.0040 -0.0136 5274 GLU 661 N 0.0008 0.0035 -0.0126 5275 GLU 661 HN 0.0003 0.0035 -0.0118 5276 GLU 661 CA 0.0007 0.0035 -0.0125 5277 GLU 661 HA 0.0001 0.0038 -0.0135 5278 GLU 661 C 0.0022 0.0032 -0.0125 5279 GLU 661 O 0.0024 0.0033 -0.0135 5280 GLU 661 CB -0.0004 0.0035 -0.0110 5281 GLU 661 HB2 -0.0003 0.0033 -0.0101 5282 GLU 661 HB3 0.0000 0.0033 -0.0106 5283 GLU 661 CG -0.0021 0.0039 -0.0114 5284 GLU 661 HG2 -0.0028 0.0038 -0.0104 5285 GLU 661 HG3 -0.0027 0.0040 -0.0117 5286 GLU 661 CD -0.0023 0.0041 -0.0128 5287 GLU 661 OE1 -0.0020 0.0040 -0.0127 5288 GLU 661 OE2 -0.0027 0.0044 -0.0141 5289 ASP 662 N 0.0033 0.0028 -0.0115 5290 ASP 662 HN 0.0031 0.0028 -0.0107 5291 ASP 662 CA 0.0049 0.0026 -0.0115 5292 ASP 662 HA 0.0047 0.0025 -0.0112 5293 ASP 662 C 0.0057 0.0026 -0.0131 5294 ASP 662 O 0.0062 0.0027 -0.0137 5295 ASP 662 CB 0.0058 0.0022 -0.0101 5296 ASP 662 HB2 0.0062 0.0021 -0.0105 5297 ASP 662 HB3 0.0051 0.0021 -0.0090 5298 ASP 662 CG 0.0073 0.0019 -0.0098 5299 ASP 662 OD1 0.0085 0.0017 -0.0106 5300 ASP 662 OD2 0.0071 0.0017 -0.0089 5301 ASP 663 N 0.0060 0.0028 -0.0140 5302 ASP 663 HN 0.0057 0.0027 -0.0134 5303 ASP 663 CA 0.0066 0.0029 -0.0156 5304 ASP 663 HA 0.0079 0.0027 -0.0156 5305 ASP 663 C 0.0058 0.0032 -0.0169 5306 ASP 663 O 0.0067 0.0032 -0.0179 5307 ASP 663 CB 0.0065 0.0030 -0.0161 5308 ASP 663 HB2 0.0053 0.0032 -0.0162 5309 ASP 663 HB3 0.0070 0.0027 -0.0151 5310 ASP 663 CG 0.0074 0.0030 -0.0176 5311 ASP 663 OD1 0.0089 0.0028 -0.0176 5312 ASP 663 OD2 0.0067 0.0033 -0.0188 5313 ARG 664 N 0.0042 0.0035 -0.0169 5314 ARG 664 HN 0.0036 0.0035 -0.0161 5315 ARG 664 CA 0.0032 0.0038 -0.0178 5316 ARG 664 HA 0.0035 0.0039 -0.0191 5317 ARG 664 C 0.0036 0.0037 -0.0176 5318 ARG 664 O 0.0040 0.0038 -0.0187 5319 ARG 664 CB 0.0013 0.0040 -0.0176 5320 ARG 664 HB2 0.0010 0.0039 -0.0163 5321 ARG 664 HB3 0.0007 0.0042 -0.0182 5322 ARG 664 CG 0.0007 0.0042 -0.0182 5323 ARG 664 HG2 0.0013 0.0041 -0.0176 5324 ARG 664 HG3 0.0011 0.0044 -0.0195 5325 ARG 664 CD -0.0011 0.0045 -0.0182 5326 ARG 664 HD2 -0.0014 0.0047 -0.0189 5327 ARG 664 HD3 -0.0017 0.0047 -0.0188 5328 ARG 664 NE -0.0018 0.0044 -0.0165 5329 ARG 664 HE -0.0021 0.0044 -0.0159 5330 ARG 664 CZ -0.0026 0.0045 -0.0159 5331 ARG 664 NH1 -0.0025 0.0045 -0.0164 5332 ARG 664 HH11 -0.0018 0.0045 -0.0172 5333 ARG 664 HH12 -0.0031 0.0045 -0.0156 5334 ARG 664 NH2 -0.0036 0.0044 -0.0146 5335 ARG 664 HH21 -0.0035 0.0044 -0.0143 5336 ARG 664 HH22 -0.0040 0.0044 -0.0139 5337 VAL 665 N 0.0034 0.0034 -0.0159 5338 VAL 665 HN 0.0030 0.0033 -0.0150 5339 VAL 665 CA 0.0040 0.0032 -0.0154 5340 VAL 665 HA 0.0032 0.0034 -0.0160 5341 VAL 665 C 0.0058 0.0030 -0.0160 5342 VAL 665 O 0.0061 0.0031 -0.0168 5343 VAL 665 CB 0.0037 0.0030 -0.0135 5344 VAL 665 HB 0.0043 0.0028 -0.0128 5345 VAL 665 CG1 0.0045 0.0028 -0.0128 5346 VAL 665 HG11 0.0040 0.0030 -0.0135 5347 VAL 665 HG12 0.0059 0.0026 -0.0130 5348 VAL 665 HG13 0.0043 0.0026 -0.0115 5349 VAL 665 CG2 0.0019 0.0032 -0.0130 5350 VAL 665 HG21 0.0012 0.0034 -0.0135 5351 VAL 665 HG22 0.0017 0.0031 -0.0116 5352 VAL 665 HG23 0.0013 0.0034 -0.0134 5353 LEU 666 N 0.0070 0.0027 -0.0156 5354 LEU 666 HN 0.0067 0.0027 -0.0149 5355 LEU 666 CA 0.0087 0.0025 -0.0162 5356 LEU 666 HA 0.0093 0.0024 -0.0156 5357 LEU 666 C 0.0090 0.0027 -0.0180 5358 LEU 666 O 0.0099 0.0027 -0.0186 5359 LEU 666 CB 0.0097 0.0023 -0.0155 5360 LEU 666 HB2 0.0093 0.0022 -0.0141 5361 LEU 666 HB3 0.0092 0.0024 -0.0161 5362 LEU 666 CG 0.0116 0.0019 -0.0155 5363 LEU 666 HG 0.0119 0.0018 -0.0147 5364 LEU 666 CD1 0.0124 0.0020 -0.0172 5365 LEU 666 HD11 0.0122 0.0022 -0.0180 5366 LEU 666 HD12 0.0118 0.0022 -0.0177 5367 LEU 666 HD13 0.0137 0.0018 -0.0170 5368 LEU 666 CD2 0.0124 0.0017 -0.0146 5369 LEU 666 HD21 0.0122 0.0018 -0.0154 5370 LEU 666 HD22 0.0137 0.0014 -0.0145 5371 LEU 666 HD23 0.0118 0.0016 -0.0134 5372 LYS 667 N 0.0082 0.0031 -0.0192 5373 LYS 667 HN 0.0075 0.0031 -0.0187 5374 LYS 667 CA 0.0082 0.0034 -0.0209 5375 LYS 667 HA 0.0094 0.0032 -0.0213 5376 LYS 667 C 0.0074 0.0036 -0.0215 5377 LYS 667 O 0.0081 0.0037 -0.0227 5378 LYS 667 CB 0.0074 0.0037 -0.0219 5379 LYS 667 HB2 0.0066 0.0037 -0.0211 5380 LYS 667 HB3 0.0066 0.0040 -0.0229 5381 LYS 667 CG 0.0087 0.0036 -0.0228 5382 LYS 667 HG2 0.0081 0.0038 -0.0236 5383 LYS 667 HG3 0.0095 0.0036 -0.0236 5384 LYS 667 CD 0.0098 0.0032 -0.0217 5385 LYS 667 HD2 0.0101 0.0030 -0.0206 5386 LYS 667 HD3 0.0110 0.0031 -0.0224 5387 LYS 667 CE 0.0093 0.0032 -0.0212 5388 LYS 667 HE2 0.0101 0.0029 -0.0202 5389 LYS 667 HE3 0.0093 0.0034 -0.0222 5390 LYS 667 NZ 0.0076 0.0034 -0.0205 5391 LYS 667 HZ1 0.0075 0.0033 -0.0196 5392 LYS 667 HZ2 0.0073 0.0034 -0.0199 5393 LYS 667 HZ3 0.0068 0.0037 -0.0214 5394 LYS 668 N 0.0061 0.0037 -0.0207 5395 LYS 668 HN 0.0055 0.0037 -0.0198 5396 LYS 668 CA 0.0054 0.0039 -0.0211 5397 LYS 668 HA 0.0055 0.0041 -0.0224 5398 LYS 668 C 0.0063 0.0037 -0.0206 5399 LYS 668 O 0.0062 0.0038 -0.0214 5400 LYS 668 CB 0.0035 0.0041 -0.0207 5401 LYS 668 HB2 0.0032 0.0040 -0.0196 5402 LYS 668 HB3 0.0032 0.0041 -0.0203 5403 LYS 668 CG 0.0024 0.0046 -0.0221 5404 LYS 668 HG2 0.0024 0.0046 -0.0222 5405 LYS 668 HG3 0.0011 0.0047 -0.0216 5406 LYS 668 CD 0.0027 0.0048 -0.0238 5407 LYS 668 HD2 0.0016 0.0051 -0.0245 5408 LYS 668 HD3 0.0038 0.0047 -0.0244 5409 LYS 668 CE 0.0029 0.0048 -0.0239 5410 LYS 668 HE2 0.0024 0.0047 -0.0228 5411 LYS 668 HE3 0.0022 0.0050 -0.0249 5412 LYS 668 NZ 0.0046 0.0045 -0.0241 5413 LYS 668 HZ1 0.0053 0.0042 -0.0230 5414 LYS 668 HZ2 0.0047 0.0046 -0.0246 5415 LYS 668 HZ3 0.0052 0.0045 -0.0250 5416 MET 669 N 0.0070 0.0033 -0.0193 5417 MET 669 HN 0.0070 0.0032 -0.0185 5418 MET 669 CA 0.0081 0.0030 -0.0189 5419 MET 669 HA 0.0075 0.0032 -0.0191 5420 MET 669 C 0.0096 0.0029 -0.0202 5421 MET 669 O 0.0101 0.0029 -0.0205 5422 MET 669 CB 0.0086 0.0026 -0.0171 5423 MET 669 HB2 0.0076 0.0027 -0.0164 5424 MET 669 HB3 0.0090 0.0025 -0.0168 5425 MET 669 CG 0.0100 0.0023 -0.0166 5426 MET 669 HG2 0.0099 0.0024 -0.0172 5427 MET 669 HG3 0.0099 0.0021 -0.0153 5428 MET 669 SD 0.0120 0.0020 -0.0170 5429 MET 669 CE 0.0132 0.0017 -0.0163 5430 MET 669 HE1 0.0145 0.0014 -0.0163 5431 MET 669 HE2 0.0130 0.0018 -0.0171 5432 MET 669 HE3 0.0129 0.0015 -0.0151 5433 SER 670 N 0.0102 0.0029 -0.0209 5434 SER 670 HN 0.0097 0.0030 -0.0206 5435 SER 670 CA 0.0115 0.0029 -0.0221 5436 SER 670 HA 0.0123 0.0027 -0.0219 5437 SER 670 C 0.0110 0.0032 -0.0239 5438 SER 670 O 0.0096 0.0036 -0.0242 5439 SER 670 CB 0.0125 0.0027 -0.0219 5440 SER 670 HB2 0.0117 0.0028 -0.0221 5441 SER 670 HB3 0.0129 0.0024 -0.0206 5442 SER 670 OG 0.0138 0.0026 -0.0230 5443 SER 670 HG 0.0134 0.0028 -0.0240 5444 SER 670 OXT 0.0121 0.0032 -0.0249