1 ALA 8 N -0.0541 -0.0288 -0.0533 2 ALA 8 CA 0.0034 0.0052 -0.0133 3 ALA 8 C 0.0368 0.0549 0.0398 4 ALA 8 O 0.0728 0.0925 0.0810 5 ALA 8 CB 0.0755 -0.0360 -0.0469 6 ALA 8 HA -0.0271 0.0253 0.0035 7 ALA 8 HB1 0.1137 -0.0121 -0.0190 8 ALA 8 HB2 0.0525 -0.0618 -0.0749 9 ALA 8 HB3 0.1031 -0.0587 -0.0666 10 ASP 9 N -0.0079 -0.0014 -0.0172 11 ASP 9 CA -0.0080 -0.0018 -0.0177 12 ASP 9 C -0.0057 0.0009 -0.0172 13 ASP 9 O -0.0058 0.0022 -0.0145 14 ASP 9 CB -0.0105 -0.0034 -0.0157 15 ASP 9 CG -0.0108 -0.0044 -0.0170 16 ASP 9 OD1 -0.0097 -0.0048 -0.0200 17 ASP 9 OD2 -0.0120 -0.0046 -0.0150 18 ASP 9 H -0.0071 0.0001 -0.0159 19 ASP 9 HA -0.0078 -0.0028 -0.0200 20 ASP 9 HB2 -0.0119 -0.0049 -0.0158 21 ASP 9 HB3 -0.0105 -0.0022 -0.0135 22 PHE 10 N -0.0110 0.0035 -0.0135 23 PHE 10 CA -0.0054 0.0065 -0.0136 24 PHE 10 C -0.0002 0.0113 -0.0155 25 PHE 10 O -0.0022 0.0146 -0.0195 26 PHE 10 CB -0.0083 0.0089 -0.0173 27 PHE 10 CG -0.0110 0.0048 -0.0148 28 PHE 10 CD1 -0.0065 0.0033 -0.0111 29 PHE 10 CD2 -0.0181 0.0026 -0.0162 30 PHE 10 CE1 -0.0089 -0.0004 -0.0089 31 PHE 10 CE2 -0.0205 -0.0011 -0.0140 32 PHE 10 CZ -0.0159 -0.0026 -0.0103 33 PHE 10 H -0.0146 0.0046 -0.0164 34 PHE 10 HA -0.0029 0.0039 -0.0100 35 PHE 10 HB2 -0.0121 0.0102 -0.0203 36 PHE 10 HB3 -0.0047 0.0121 -0.0184 37 PHE 10 HD1 -0.0017 0.0047 -0.0101 38 PHE 10 HD2 -0.0212 0.0037 -0.0187 39 PHE 10 HE1 -0.0057 -0.0014 -0.0064 40 PHE 10 HE2 -0.0253 -0.0026 -0.0149 41 PHE 10 HZ -0.0175 -0.0051 -0.0088 42 ILE 11 N 0.0063 0.0054 -0.0117 43 ILE 11 CA 0.0079 0.0059 -0.0134 44 ILE 11 C 0.0118 0.0067 -0.0139 45 ILE 11 O 0.0136 0.0067 -0.0114 46 ILE 11 CB 0.0075 0.0056 -0.0112 47 ILE 11 CG1 0.0037 0.0048 -0.0106 48 ILE 11 CG2 0.0095 0.0061 -0.0129 49 ILE 11 CD1 0.0017 0.0048 -0.0139 50 ILE 11 H 0.0073 0.0054 -0.0097 51 ILE 11 HA 0.0068 0.0059 -0.0157 52 ILE 11 HB 0.0086 0.0055 -0.0088 53 ILE 11 HG12 0.0026 0.0044 -0.0095 54 ILE 11 HG13 0.0035 0.0046 -0.0090 55 ILE 11 HG21 0.0087 0.0059 -0.0119 56 ILE 11 HG22 0.0120 0.0066 -0.0125 57 ILE 11 HG23 0.0090 0.0063 -0.0155 58 ILE 11 HD11 -0.0007 0.0042 -0.0133 59 ILE 11 HD12 0.0027 0.0051 -0.0151 60 ILE 11 HD13 0.0017 0.0049 -0.0155 61 GLY 12 N 0.0119 0.0089 -0.0045 62 GLY 12 CA 0.0132 0.0077 -0.0047 63 GLY 12 C 0.0144 0.0070 -0.0055 64 GLY 12 O 0.0144 0.0076 -0.0068 65 GLY 12 H 0.0114 0.0096 -0.0052 66 GLY 12 HA2 0.0133 0.0071 -0.0035 67 GLY 12 HA3 0.0132 0.0080 -0.0053 68 ILE 13 N 0.0160 -0.0078 -0.0011 69 ILE 13 CA 0.0147 -0.0079 -0.0021 70 ILE 13 C 0.0136 -0.0089 -0.0017 71 ILE 13 O 0.0125 -0.0090 -0.0025 72 ILE 13 CB 0.0147 -0.0069 -0.0033 73 ILE 13 CG1 0.0149 -0.0067 -0.0033 74 ILE 13 CG2 0.0156 -0.0060 -0.0037 75 ILE 13 CD1 0.0146 -0.0060 -0.0046 76 ILE 13 H 0.0161 -0.0078 -0.0010 77 ILE 13 HA 0.0146 -0.0079 -0.0021 78 ILE 13 HB 0.0138 -0.0070 -0.0039 79 ILE 13 HG12 0.0158 -0.0065 -0.0029 80 ILE 13 HG13 0.0144 -0.0074 -0.0030 81 ILE 13 HG21 0.0155 -0.0054 -0.0045 82 ILE 13 HG22 0.0155 -0.0061 -0.0037 83 ILE 13 HG23 0.0165 -0.0058 -0.0032 84 ILE 13 HD11 0.0146 -0.0059 -0.0046 85 ILE 13 HD12 0.0137 -0.0062 -0.0051 86 ILE 13 HD13 0.0151 -0.0053 -0.0050 87 GLY 14 N -0.0007 0.0098 0.0069 88 GLY 14 CA -0.0052 0.0097 0.0086 89 GLY 14 C -0.0065 0.0097 0.0086 90 GLY 14 O -0.0038 0.0099 0.0069 91 GLY 14 H 0.0013 0.0096 0.0077 92 GLY 14 HA2 -0.0055 0.0092 0.0117 93 GLY 14 HA3 -0.0074 0.0100 0.0068 94 LYS 15 N -0.0299 0.0171 0.0074 95 LYS 15 CA -0.0156 0.0145 0.0117 96 LYS 15 C -0.0052 0.0180 0.0274 97 LYS 15 O -0.0038 0.0191 0.0310 98 LYS 15 CB -0.0040 0.0051 -0.0017 99 LYS 15 CG -0.0113 0.0006 -0.0175 100 LYS 15 CD 0.0008 -0.0088 -0.0304 101 LYS 15 CE 0.0187 -0.0117 -0.0244 102 LYS 15 NZ 0.0303 -0.0208 -0.0372 103 LYS 15 H -0.0280 0.0136 0.0006 104 LYS 15 HA -0.0198 0.0164 0.0132 105 LYS 15 HB2 -0.0011 0.0032 -0.0040 106 LYS 15 HB3 0.0062 0.0036 0.0023 107 LYS 15 HG2 -0.0134 0.0020 -0.0157 108 LYS 15 HG3 -0.0218 0.0021 -0.0215 109 LYS 15 HD2 -0.0035 -0.0114 -0.0398 110 LYS 15 HD3 0.0016 -0.0104 -0.0336 111 LYS 15 HE2 0.0232 -0.0091 -0.0151 112 LYS 15 HE3 0.0182 -0.0103 -0.0214 113 LYS 15 HZ1 0.0304 -0.0224 -0.0407 114 LYS 15 HZ2 0.0408 -0.0223 -0.0331 115 LYS 15 HZ3 0.0270 -0.0234 -0.0455 116 LEU 16 N 0.0011 0.0124 0.0164 117 LEU 16 CA -0.0013 0.0103 0.0131 118 LEU 16 C -0.0041 0.0103 0.0131 119 LEU 16 O -0.0044 0.0086 0.0103 120 LEU 16 CB -0.0040 0.0099 0.0125 121 LEU 16 CG -0.0068 0.0079 0.0092 122 LEU 16 CD1 -0.0043 0.0058 0.0058 123 LEU 16 CD2 -0.0100 0.0080 0.0096 124 LEU 16 H 0.0007 0.0131 0.0176 125 LEU 16 HA 0.0007 0.0091 0.0111 126 LEU 16 HB2 -0.0021 0.0098 0.0123 127 LEU 16 HB3 -0.0058 0.0112 0.0146 128 LEU 16 HG -0.0083 0.0077 0.0090 129 LEU 16 HD11 -0.0062 0.0045 0.0038 130 LEU 16 HD12 -0.0023 0.0057 0.0056 131 LEU 16 HD13 -0.0028 0.0059 0.0059 132 LEU 16 HD21 -0.0120 0.0068 0.0076 133 LEU 16 HD22 -0.0085 0.0080 0.0095 134 LEU 16 HD23 -0.0115 0.0094 0.0118 135 ASP 17 N -0.0008 0.0103 0.0162 136 ASP 17 CA 0.0024 0.0038 0.0137 137 ASP 17 C -0.0062 0.0031 0.0065 138 ASP 17 O -0.0046 -0.0015 0.0042 139 ASP 17 CB 0.0100 -0.0063 0.0117 140 ASP 17 CG 0.0080 -0.0103 0.0070 141 ASP 17 OD1 0.0068 -0.0054 0.0100 142 ASP 17 OD2 0.0079 -0.0188 0.0005 143 ASP 17 H -0.0002 0.0073 0.0143 144 ASP 17 HA 0.0059 0.0066 0.0185 145 ASP 17 HB2 0.0101 -0.0109 0.0082 146 ASP 17 HB3 0.0164 -0.0058 0.0170 147 ASP 18 N -0.0096 0.0050 0.0131 148 ASP 18 CA -0.0091 0.0049 0.0104 149 ASP 18 C -0.0092 0.0041 0.0085 150 ASP 18 O -0.0090 0.0036 0.0062 151 ASP 18 CB -0.0078 0.0074 0.0097 152 ASP 18 CG -0.0076 0.0084 0.0112 153 ASP 18 OD1 -0.0084 0.0071 0.0123 154 ASP 18 OD2 -0.0065 0.0107 0.0113 155 ASP 18 H -0.0090 0.0064 0.0139 156 ASP 18 HA -0.0096 0.0039 0.0103 157 ASP 18 HB2 -0.0073 0.0085 0.0100 158 ASP 18 HB3 -0.0075 0.0073 0.0079 159 PHE 19 N -0.0051 -0.0022 0.0042 160 PHE 19 CA -0.0048 -0.0033 0.0021 161 PHE 19 C -0.0067 -0.0051 0.0018 162 PHE 19 O -0.0081 -0.0053 0.0032 163 PHE 19 CB -0.0039 -0.0027 0.0019 164 PHE 19 CG -0.0018 -0.0010 0.0019 165 PHE 19 CD1 -0.0003 -0.0009 0.0001 166 PHE 19 CD2 -0.0014 0.0005 0.0037 167 PHE 19 CE1 0.0016 0.0006 0.0001 168 PHE 19 CE2 0.0004 0.0020 0.0037 169 PHE 19 CZ 0.0019 0.0021 0.0019 170 PHE 19 H -0.0057 -0.0020 0.0052 171 PHE 19 HA -0.0040 -0.0033 0.0010 172 PHE 19 HB2 -0.0046 -0.0026 0.0031 173 PHE 19 HB3 -0.0038 -0.0035 0.0006 174 PHE 19 HD1 -0.0006 -0.0019 -0.0011 175 PHE 19 HD2 -0.0024 0.0005 0.0049 176 PHE 19 HE1 0.0026 0.0007 -0.0011 177 PHE 19 HE2 0.0007 0.0030 0.0049 178 PHE 19 HZ 0.0032 0.0031 0.0020 179 PRO 20 N -0.0020 -0.0152 -0.0043 180 PRO 20 CA 0.0022 -0.0187 -0.0010 181 PRO 20 C 0.0048 -0.0124 0.0045 182 PRO 20 O 0.0020 -0.0050 0.0043 183 PRO 20 CB -0.0017 -0.0219 -0.0066 184 PRO 20 CG -0.0070 -0.0225 -0.0128 185 PRO 20 CD -0.0081 -0.0154 -0.0112 186 PRO 20 HA 0.0053 -0.0234 0.0006 187 PRO 20 HB2 -0.0028 -0.0180 -0.0063 188 PRO 20 HB3 0.0006 -0.0273 -0.0063 189 PRO 20 HG2 -0.0104 -0.0217 -0.0163 190 PRO 20 HG3 -0.0062 -0.0278 -0.0141 191 PRO 20 HD2 -0.0104 -0.0102 -0.0117 192 PRO 20 HD3 -0.0101 -0.0167 -0.0140 193 VAL 21 N 0.0042 -0.0018 0.0029 194 VAL 21 CA 0.0035 -0.0025 0.0055 195 VAL 21 C 0.0047 -0.0029 0.0090 196 VAL 21 O 0.0076 -0.0024 0.0096 197 VAL 21 CB 0.0052 -0.0019 0.0046 198 VAL 21 CG1 0.0052 -0.0025 0.0077 199 VAL 21 CG2 0.0035 -0.0016 0.0015 200 VAL 21 H 0.0055 -0.0011 0.0014 201 VAL 21 HA 0.0010 -0.0030 0.0056 202 VAL 21 HB 0.0076 -0.0012 0.0041 203 VAL 21 HG11 0.0057 -0.0023 0.0069 204 VAL 21 HG12 0.0070 -0.0025 0.0093 205 VAL 21 HG13 0.0030 -0.0032 0.0087 206 VAL 21 HG21 0.0046 -0.0013 0.0010 207 VAL 21 HG22 0.0011 -0.0023 0.0020 208 VAL 21 HG23 0.0036 -0.0012 -0.0004 209 GLY 22 N 0.0020 -0.0024 0.0071 210 GLY 22 CA 0.0014 -0.0010 0.0081 211 GLY 22 C -0.0008 -0.0008 0.0065 212 GLY 22 O -0.0014 0.0003 0.0072 213 GLY 22 H 0.0015 -0.0017 0.0074 214 GLY 22 HA2 0.0010 0.0005 0.0093 215 GLY 22 HA3 0.0028 -0.0015 0.0087 216 ILE 23 N -0.0002 0.0051 0.0097 217 ILE 23 CA -0.0045 0.0048 0.0084 218 ILE 23 C -0.0106 0.0046 0.0069 219 ILE 23 O -0.0114 0.0019 0.0031 220 ILE 23 CB -0.0025 0.0012 0.0042 221 ILE 23 CG1 0.0036 0.0015 0.0058 222 ILE 23 CG2 -0.0072 0.0008 0.0026 223 ILE 23 CD1 0.0056 -0.0013 0.0026 224 ILE 23 H 0.0002 0.0033 0.0075 225 ILE 23 HA -0.0049 0.0069 0.0111 226 ILE 23 HB -0.0020 -0.0010 0.0014 227 ILE 23 HG12 0.0035 0.0040 0.0090 228 ILE 23 HG13 0.0067 0.0012 0.0060 229 ILE 23 HG21 -0.0058 -0.0014 0.0000 230 ILE 23 HG22 -0.0109 0.0004 0.0014 231 ILE 23 HG23 -0.0079 0.0030 0.0053 232 ILE 23 HD11 0.0098 -0.0013 0.0035 233 ILE 23 HD12 0.0050 -0.0037 -0.0007 234 ILE 23 HD13 0.0032 -0.0006 0.0030 235 PRO 24 N -0.0065 0.0100 0.0008 236 PRO 24 CA -0.0082 0.0108 0.0002 237 PRO 24 C -0.0086 0.0105 -0.0018 238 PRO 24 O -0.0080 0.0100 -0.0025 239 PRO 24 CB -0.0090 0.0116 0.0014 240 PRO 24 CG -0.0078 0.0113 0.0030 241 PRO 24 CD -0.0062 0.0103 0.0023 242 PRO 24 HA -0.0085 0.0111 0.0005 243 PRO 24 HB2 -0.0092 0.0115 0.0007 244 PRO 24 HB3 -0.0100 0.0122 0.0017 245 PRO 24 HG2 -0.0080 0.0116 0.0035 246 PRO 24 HG3 -0.0079 0.0116 0.0038 247 PRO 24 HD2 -0.0059 0.0100 0.0018 248 PRO 24 HD3 -0.0053 0.0101 0.0032 249 LYS 25 N -0.0091 0.0168 -0.0108 250 LYS 25 CA -0.0160 0.0085 -0.0119 251 LYS 25 C -0.0141 0.0161 -0.0136 252 LYS 25 O -0.0039 0.0222 -0.0095 253 LYS 25 CB -0.0118 -0.0049 -0.0043 254 LYS 25 CG -0.0155 -0.0147 -0.0029 255 LYS 25 CD -0.0295 -0.0185 -0.0102 256 LYS 25 CE -0.0338 -0.0245 -0.0106 257 LYS 25 NZ -0.0409 -0.0385 -0.0097 258 LYS 25 H -0.0016 0.0197 -0.0072 259 LYS 25 HA -0.0247 0.0068 -0.0166 260 LYS 25 HB2 -0.0029 -0.0033 0.0006 261 LYS 25 HB3 -0.0153 -0.0092 -0.0049 262 LYS 25 HG2 -0.0123 -0.0106 -0.0025 263 LYS 25 HG3 -0.0123 -0.0229 0.0021 264 LYS 25 HD2 -0.0326 -0.0251 -0.0096 265 LYS 25 HD3 -0.0330 -0.0104 -0.0153 266 LYS 25 HE2 -0.0391 -0.0190 -0.0159 267 LYS 25 HE3 -0.0267 -0.0247 -0.0061 268 LYS 25 HZ1 -0.0433 -0.0417 -0.0100 269 LYS 25 HZ2 -0.0363 -0.0439 -0.0049 270 LYS 25 HZ3 -0.0476 -0.0386 -0.0138 271 LYS 26 N -0.0086 0.0260 -0.0119 272 LYS 26 CA -0.0110 0.0091 -0.0063 273 LYS 26 C -0.0114 -0.0013 -0.0074 274 LYS 26 O -0.0126 0.0042 -0.0013 275 LYS 26 CB -0.0152 0.0111 0.0114 276 LYS 26 CG -0.0180 -0.0038 0.0190 277 LYS 26 CD -0.0210 0.0014 0.0331 278 LYS 26 CE -0.0229 0.0154 0.0449 279 LYS 26 NZ -0.0272 0.0127 0.0618 280 LYS 26 H -0.0099 0.0324 -0.0045 281 LYS 26 HA -0.0099 0.0030 -0.0128 282 LYS 26 HB2 -0.0146 0.0198 0.0115 283 LYS 26 HB3 -0.0166 0.0146 0.0182 284 LYS 26 HG2 -0.0195 -0.0108 0.0235 285 LYS 26 HG3 -0.0164 -0.0102 0.0109 286 LYS 26 HD2 -0.0232 -0.0084 0.0397 287 LYS 26 HD3 -0.0196 0.0054 0.0283 288 LYS 26 HE2 -0.0213 0.0263 0.0411 289 LYS 26 HE3 -0.0231 0.0151 0.0454 290 LYS 26 HZ1 -0.0273 0.0078 0.0611 291 LYS 26 HZ2 -0.0278 0.0225 0.0671 292 LYS 26 HZ3 -0.0289 0.0061 0.0674 293 VAL 27 N -0.0081 -0.0021 -0.0063 294 VAL 27 CA -0.0087 -0.0098 -0.0074 295 VAL 27 C -0.0113 -0.0107 -0.0070 296 VAL 27 O -0.0107 -0.0058 -0.0064 297 VAL 27 CB -0.0014 -0.0133 -0.0095 298 VAL 27 CG1 0.0012 -0.0127 -0.0099 299 VAL 27 CG2 0.0042 -0.0100 -0.0100 300 VAL 27 H -0.0063 0.0006 -0.0062 301 VAL 27 HA -0.0123 -0.0121 -0.0071 302 VAL 27 HB -0.0020 -0.0184 -0.0102 303 VAL 27 HG11 0.0056 -0.0154 -0.0112 304 VAL 27 HG12 -0.0025 -0.0147 -0.0095 305 VAL 27 HG13 0.0021 -0.0077 -0.0093 306 VAL 27 HG21 0.0089 -0.0117 -0.0113 307 VAL 27 HG22 0.0041 -0.0047 -0.0092 308 VAL 27 HG23 0.0030 -0.0113 -0.0100 309 ALA 28 N -0.0331 -0.0448 -0.0248 310 ALA 28 CA -0.0450 -0.0295 -0.0275 311 ALA 28 C -0.0055 -0.0236 -0.0115 312 ALA 28 O 0.0274 -0.0472 -0.0018 313 ALA 28 CB -0.0712 -0.0651 -0.0420 314 ALA 28 H -0.0373 -0.0730 -0.0299 315 ALA 28 HA -0.0613 -0.0008 -0.0302 316 ALA 28 HB1 -0.0790 -0.0549 -0.0438 317 ALA 28 HB2 -0.0967 -0.0693 -0.0524 318 ALA 28 HB3 -0.0543 -0.0934 -0.0390 319 VAL 29 N 0.0023 -0.0041 -0.0102 320 VAL 29 CA 0.0053 -0.0031 -0.0083 321 VAL 29 C 0.0045 -0.0025 -0.0089 322 VAL 29 O 0.0029 0.0001 -0.0105 323 VAL 29 CB 0.0071 0.0005 -0.0076 324 VAL 29 CG1 0.0103 0.0012 -0.0055 325 VAL 29 CG2 0.0076 0.0001 -0.0073 326 VAL 29 H 0.0010 -0.0024 -0.0114 327 VAL 29 HA 0.0066 -0.0052 -0.0070 328 VAL 29 HB 0.0059 0.0026 -0.0089 329 VAL 29 HG11 0.0115 0.0033 -0.0050 330 VAL 29 HG12 0.0099 0.0020 -0.0059 331 VAL 29 HG13 0.0114 -0.0010 -0.0044 332 VAL 29 HG21 0.0089 0.0023 -0.0067 333 VAL 29 HG22 0.0086 -0.0022 -0.0061 334 VAL 29 HG23 0.0055 -0.0001 -0.0086 335 THR 30 N 0.0118 -0.0016 -0.0039 336 THR 30 CA 0.0196 -0.0011 0.0026 337 THR 30 C 0.0219 -0.0020 0.0028 338 THR 30 O 0.0170 0.0015 0.0051 339 THR 30 CB 0.0177 0.0046 0.0108 340 THR 30 OG1 0.0099 0.0089 0.0122 341 THR 30 CG2 0.0165 0.0051 0.0108 342 THR 30 H 0.0076 0.0005 -0.0035 343 THR 30 HA 0.0245 -0.0040 0.0014 344 THR 30 HB 0.0226 0.0050 0.0151 345 THR 30 HG1 0.0107 0.0090 0.0130 346 THR 30 HG21 0.0161 0.0085 0.0162 347 THR 30 HG22 0.0213 0.0020 0.0091 348 THR 30 HG23 0.0111 0.0052 0.0070 349 SER 31 N 0.0094 -0.0001 -0.0014 350 SER 31 CA 0.0067 -0.0008 -0.0033 351 SER 31 C 0.0062 -0.0002 -0.0051 352 SER 31 O 0.0071 -0.0002 -0.0041 353 SER 31 CB 0.0045 -0.0029 -0.0015 354 SER 31 OG 0.0018 -0.0035 -0.0032 355 SER 31 H 0.0095 -0.0009 0.0003 356 SER 31 HA 0.0066 -0.0003 -0.0045 357 SER 31 HB2 0.0047 -0.0032 -0.0004 358 SER 31 HB3 0.0047 -0.0034 -0.0001 359 SER 31 HG 0.0006 -0.0046 -0.0022 360 SER 32 N -0.0014 -0.0430 -0.0297 361 SER 32 CA 0.0080 -0.0096 -0.0345 362 SER 32 C 0.0271 0.0552 -0.0573 363 SER 32 O 0.0362 0.0831 -0.0791 364 SER 32 CB 0.0036 -0.0083 0.0296 365 SER 32 OG 0.0056 0.0121 0.0784 366 SER 32 H -0.0057 -0.0488 0.0082 367 SER 32 HA 0.0045 -0.0306 -0.0645 368 SER 32 HB2 0.0112 0.0192 0.0276 369 SER 32 HB3 -0.0081 -0.0491 0.0389 370 SER 32 HG 0.0024 0.0100 0.1134 371 LYS 33 N 0.0076 0.0005 0.0010 372 LYS 33 CA 0.0030 -0.0078 0.0029 373 LYS 33 C 0.0053 -0.0100 0.0117 374 LYS 33 O 0.0098 -0.0072 0.0179 375 LYS 33 CB -0.0006 -0.0131 0.0026 376 LYS 33 CG -0.0043 -0.0128 -0.0067 377 LYS 33 CD -0.0062 -0.0157 -0.0067 378 LYS 33 CE -0.0107 -0.0166 -0.0158 379 LYS 33 NZ -0.0107 -0.0157 -0.0173 380 LYS 33 H 0.0082 0.0011 0.0014 381 LYS 33 HA 0.0005 -0.0087 -0.0015 382 LYS 33 HB2 0.0019 -0.0115 0.0060 383 LYS 33 HB3 -0.0032 -0.0186 0.0050 384 LYS 33 HG2 -0.0077 -0.0161 -0.0095 385 LYS 33 HG3 -0.0021 -0.0073 -0.0100 386 LYS 33 HD2 -0.0030 -0.0118 -0.0049 387 LYS 33 HD3 -0.0079 -0.0208 -0.0027 388 LYS 33 HE2 -0.0145 -0.0219 -0.0166 389 LYS 33 HE3 -0.0099 -0.0126 -0.0202 390 LYS 33 HZ1 -0.0134 -0.0162 -0.0226 391 LYS 33 HZ2 -0.0073 -0.0110 -0.0166 392 LYS 33 HZ3 -0.0115 -0.0194 -0.0134 393 MET 34 N 0.0101 -0.0126 0.0040 394 MET 34 CA 0.0026 -0.0135 0.0070 395 MET 34 C -0.0073 -0.0134 0.0135 396 MET 34 O -0.0149 -0.0150 0.0152 397 MET 34 CB -0.0003 -0.0191 -0.0021 398 MET 34 CG 0.0087 -0.0192 -0.0081 399 MET 34 SD 0.0101 -0.0166 -0.0040 400 MET 34 CE 0.0176 -0.0092 0.0059 401 MET 34 H 0.0077 -0.0151 0.0005 402 MET 34 HA 0.0060 -0.0105 0.0108 403 MET 34 HB2 -0.0028 -0.0220 -0.0064 404 MET 34 HB3 -0.0058 -0.0198 -0.0000 405 MET 34 HG2 0.0152 -0.0168 -0.0076 406 MET 34 HG3 0.0075 -0.0230 -0.0149 407 MET 34 HE1 0.0211 -0.0074 0.0071 408 MET 34 HE2 0.0129 -0.0078 0.0117 409 MET 34 HE3 0.0227 -0.0084 0.0041 410 ASP 35 N -0.0086 0.0051 0.0131 411 ASP 35 CA -0.0096 0.0049 0.0140 412 ASP 35 C -0.0053 -0.0011 0.0138 413 ASP 35 O -0.0027 -0.0059 0.0142 414 ASP 35 CB -0.0157 0.0047 0.0190 415 ASP 35 CG -0.0169 -0.0012 0.0230 416 ASP 35 OD1 -0.0175 -0.0013 0.0236 417 ASP 35 OD2 -0.0168 -0.0059 0.0255 418 ASP 35 H -0.0112 0.0041 0.0157 419 ASP 35 HA -0.0091 0.0087 0.0116 420 ASP 35 HB2 -0.0163 0.0047 0.0195 421 ASP 35 HB3 -0.0184 0.0086 0.0191 422 ALA 36 N -0.0074 0.0412 0.0144 423 ALA 36 CA 0.0107 0.0207 0.0048 424 ALA 36 C -0.0049 -0.0039 0.0003 425 ALA 36 O 0.0022 -0.0139 -0.0040 426 ALA 36 CB 0.0289 0.0137 -0.0007 427 ALA 36 H -0.0049 0.0462 0.0154 428 ALA 36 HA 0.0219 0.0276 0.0048 429 ALA 36 HB1 0.0408 0.0000 -0.0071 430 ALA 36 HB2 0.0396 0.0294 0.0020 431 ALA 36 HB3 0.0176 0.0072 -0.0005 432 TRP 37 N -0.0122 -0.0042 0.0077 433 TRP 37 CA -0.0127 -0.0048 0.0074 434 TRP 37 C -0.0116 0.0008 0.0062 435 TRP 37 O -0.0095 0.0017 0.0081 436 TRP 37 CB -0.0171 -0.0079 0.0040 437 TRP 37 CG -0.0178 -0.0087 0.0036 438 TRP 37 CD1 -0.0174 -0.0131 0.0058 439 TRP 37 CD2 -0.0190 -0.0051 0.0007 440 TRP 37 NE1 -0.0182 -0.0125 0.0047 441 TRP 37 CE2 -0.0192 -0.0076 0.0015 442 TRP 37 CE3 -0.0199 0.0000 -0.0023 443 TRP 37 CZ2 -0.0203 -0.0051 -0.0007 444 TRP 37 CZ3 -0.0209 0.0025 -0.0045 445 TRP 37 CH2 -0.0211 -0.0001 -0.0037 446 TRP 37 H -0.0144 -0.0057 0.0059 447 TRP 37 HA -0.0109 -0.0069 0.0103 448 TRP 37 HB2 -0.0178 -0.0116 0.0047 449 TRP 37 HB3 -0.0189 -0.0058 0.0011 450 TRP 37 HD1 -0.0166 -0.0161 0.0079 451 TRP 37 HE1 -0.0181 -0.0147 0.0057 452 TRP 37 HE3 -0.0197 0.0018 -0.0029 453 TRP 37 HZ2 -0.0204 -0.0068 -0.0001 454 TRP 37 HZ3 -0.0215 0.0058 -0.0066 455 TRP 37 HH2 -0.0219 0.0016 -0.0052 456 ASN 38 N -0.0068 -0.0079 0.0119 457 ASN 38 CA -0.0049 -0.0064 0.0109 458 ASN 38 C -0.0009 -0.0053 0.0108 459 ASN 38 O 0.0015 -0.0052 0.0112 460 ASN 38 CB -0.0068 -0.0040 0.0082 461 ASN 38 CG -0.0096 -0.0047 0.0083 462 ASN 38 OD1 -0.0086 -0.0052 0.0090 463 ASN 38 ND2 -0.0130 -0.0048 0.0075 464 ASN 38 H -0.0085 -0.0072 0.0108 465 ASN 38 HA -0.0049 -0.0076 0.0120 466 ASN 38 HB2 -0.0081 -0.0034 0.0074 467 ASN 38 HB3 -0.0050 -0.0025 0.0072 468 ASN 38 HD21 -0.0147 -0.0052 0.0075 469 ASN 38 HD22 -0.0136 -0.0044 0.0071 470 ILE 39 N 0.0017 -0.0021 0.0059 471 ILE 39 CA 0.0010 -0.0026 0.0052 472 ILE 39 C 0.0004 -0.0039 0.0018 473 ILE 39 O -0.0018 -0.0051 0.0011 474 ILE 39 CB 0.0036 -0.0012 0.0059 475 ILE 39 CG1 0.0041 0.0000 0.0094 476 ILE 39 CG2 0.0029 -0.0019 0.0049 477 ILE 39 CD1 0.0070 0.0015 0.0101 478 ILE 39 H 0.0035 -0.0011 0.0064 479 ILE 39 HA -0.0007 -0.0030 0.0066 480 ILE 39 HB 0.0055 -0.0007 0.0047 481 ILE 39 HG12 0.0024 -0.0004 0.0106 482 ILE 39 HG13 0.0042 0.0002 0.0100 483 ILE 39 HG21 0.0043 -0.0010 0.0056 484 ILE 39 HG22 0.0030 -0.0025 0.0026 485 ILE 39 HG23 0.0008 -0.0025 0.0058 486 ILE 39 HD11 0.0073 0.0023 0.0123 487 ILE 39 HD12 0.0087 0.0019 0.0087 488 ILE 39 HD13 0.0069 0.0013 0.0096 489 PHE 40 N -0.0007 -0.0117 -0.0070 490 PHE 40 CA -0.0027 -0.0068 -0.0072 491 PHE 40 C 0.0017 -0.0071 -0.0044 492 PHE 40 O -0.0000 -0.0077 -0.0056 493 PHE 40 CB -0.0035 0.0004 -0.0060 494 PHE 40 CG -0.0050 0.0060 -0.0057 495 PHE 40 CD1 -0.0110 0.0081 -0.0090 496 PHE 40 CD2 -0.0006 0.0095 -0.0020 497 PHE 40 CE1 -0.0124 0.0133 -0.0087 498 PHE 40 CE2 -0.0020 0.0147 -0.0017 499 PHE 40 CZ -0.0080 0.0167 -0.0051 500 PHE 40 H -0.0001 -0.0097 -0.0061 501 PHE 40 HA -0.0065 -0.0079 -0.0099 502 PHE 40 HB2 -0.0067 0.0006 -0.0080 503 PHE 40 HB3 0.0002 0.0011 -0.0034 504 PHE 40 HD1 -0.0140 0.0058 -0.0115 505 PHE 40 HD2 0.0034 0.0081 0.0003 506 PHE 40 HE1 -0.0164 0.0146 -0.0110 507 PHE 40 HE2 0.0009 0.0169 0.0008 508 PHE 40 HZ -0.0090 0.0205 -0.0049 509 GLU 41 N -0.0008 0.0030 -0.0008 510 GLU 41 CA 0.0026 0.0029 0.0014 511 GLU 41 C 0.0053 0.0007 -0.0004 512 GLU 41 O 0.0077 0.0006 0.0011 513 GLU 41 CB 0.0038 0.0034 0.0029 514 GLU 41 CG 0.0054 0.0049 0.0065 515 GLU 41 CD 0.0029 0.0073 0.0086 516 GLU 41 OE1 -0.0003 0.0078 0.0074 517 GLU 41 OE2 0.0041 0.0086 0.0115 518 GLU 41 H -0.0016 0.0032 -0.0011 519 GLU 41 HA 0.0024 0.0041 0.0031 520 GLU 41 HB2 0.0017 0.0041 0.0026 521 GLU 41 HB3 0.0055 0.0020 0.0018 522 GLU 41 HG2 0.0063 0.0050 0.0072 523 GLU 41 HG3 0.0073 0.0043 0.0068 524 GLY 42 N 0.0060 0.0019 0.0009 525 GLY 42 CA 0.0062 -0.0012 0.0001 526 GLY 42 C 0.0047 -0.0018 -0.0019 527 GLY 42 O 0.0051 -0.0039 -0.0022 528 GLY 42 H 0.0057 0.0024 0.0006 529 GLY 42 HA2 0.0076 -0.0020 0.0014 530 GLY 42 HA3 0.0061 -0.0023 -0.0004 531 LEU 43 N -0.0003 0.0023 -0.0059 532 LEU 43 CA 0.0035 0.0013 -0.0053 533 LEU 43 C 0.0027 -0.0035 -0.0074 534 LEU 43 O 0.0044 -0.0039 -0.0071 535 LEU 43 CB 0.0090 0.0008 -0.0040 536 LEU 43 CG 0.0107 0.0055 -0.0017 537 LEU 43 CD1 0.0153 0.0041 -0.0010 538 LEU 43 CD2 0.0123 0.0091 0.0001 539 LEU 43 H 0.0008 0.0015 -0.0059 540 LEU 43 HA 0.0033 0.0041 -0.0043 541 LEU 43 HB2 0.0091 -0.0018 -0.0050 542 LEU 43 HB3 0.0115 -0.0002 -0.0038 543 LEU 43 HG 0.0079 0.0071 -0.0018 544 LEU 43 HD11 0.0164 0.0072 0.0004 545 LEU 43 HD12 0.0142 0.0019 -0.0022 546 LEU 43 HD13 0.0181 0.0024 -0.0010 547 LEU 43 HD21 0.0134 0.0121 0.0016 548 LEU 43 HD22 0.0151 0.0075 0.0002 549 LEU 43 HD23 0.0093 0.0101 -0.0003 550 VAL 44 N 0.0045 -0.0030 -0.0078 551 VAL 44 CA 0.0046 -0.0014 -0.0076 552 VAL 44 C 0.0070 -0.0042 -0.0038 553 VAL 44 O 0.0066 -0.0059 -0.0044 554 VAL 44 CB 0.0048 0.0046 -0.0073 555 VAL 44 CG1 0.0071 0.0068 -0.0038 556 VAL 44 CG2 0.0055 0.0061 -0.0063 557 VAL 44 H 0.0057 -0.0014 -0.0058 558 VAL 44 HA 0.0028 -0.0025 -0.0103 559 VAL 44 HB 0.0030 0.0062 -0.0101 560 VAL 44 HG11 0.0081 0.0098 -0.0023 561 VAL 44 HG12 0.0062 0.0080 -0.0052 562 VAL 44 HG13 0.0085 0.0041 -0.0016 563 VAL 44 HG21 0.0051 0.0098 -0.0070 564 VAL 44 HG22 0.0075 0.0055 -0.0032 565 VAL 44 HG23 0.0043 0.0040 -0.0081 566 VAL 44 N 0.0045 -0.0029 -0.0078 567 VAL 44 CA 0.0046 -0.0011 -0.0076 568 VAL 44 C 0.0071 -0.0036 -0.0038 569 VAL 44 O 0.0068 -0.0043 -0.0043 570 VAL 44 CB 0.0047 0.0049 -0.0075 571 VAL 44 CG1 0.0019 0.0074 -0.0118 572 VAL 44 CG2 0.0073 0.0072 -0.0034 573 VAL 44 H 0.0058 -0.0015 -0.0058 574 VAL 44 HA 0.0028 -0.0023 -0.0103 575 VAL 44 HB 0.0047 0.0058 -0.0074 576 VAL 44 HG11 0.0011 0.0097 -0.0130 577 VAL 44 HG12 0.0006 0.0046 -0.0138 578 VAL 44 HG13 0.0024 0.0093 -0.0110 579 VAL 44 HG21 0.0070 0.0108 -0.0040 580 VAL 44 HG22 0.0078 0.0052 -0.0027 581 VAL 44 HG23 0.0089 0.0070 -0.0010 582 MET 45 N 0.0054 0.0030 -0.0028 583 MET 45 CA 0.0065 0.0022 -0.0015 584 MET 45 C 0.0070 0.0008 -0.0017 585 MET 45 O 0.0076 0.0007 -0.0007 586 MET 45 CB 0.0068 0.0034 0.0001 587 MET 45 CG 0.0063 0.0048 0.0005 588 MET 45 SD 0.0070 0.0046 0.0015 589 MET 45 CE 0.0081 0.0043 0.0034 590 MET 45 H 0.0051 0.0034 -0.0029 591 MET 45 HA 0.0067 0.0019 -0.0014 592 MET 45 HB2 0.0066 0.0037 0.0000 593 MET 45 HB3 0.0075 0.0028 0.0009 594 MET 45 HG2 0.0056 0.0052 -0.0004 595 MET 45 HG3 0.0063 0.0057 0.0012 596 MET 45 HE1 0.0085 0.0042 0.0040 597 MET 45 HE2 0.0080 0.0052 0.0039 598 MET 45 HE3 0.0085 0.0033 0.0033 599 GLY 46 N -0.0039 0.0044 -0.0097 600 GLY 46 CA -0.0043 0.0044 -0.0086 601 GLY 46 C -0.0054 0.0026 -0.0080 602 GLY 46 O -0.0058 0.0025 -0.0072 603 GLY 46 H -0.0038 0.0039 -0.0109 604 GLY 46 HA2 -0.0042 0.0052 -0.0074 605 GLY 46 HA3 -0.0038 0.0048 -0.0092 606 SER 47 N -0.0101 -0.0139 0.0048 607 SER 47 CA -0.0105 -0.0116 0.0043 608 SER 47 C -0.0059 -0.0040 0.0007 609 SER 47 O -0.0050 0.0012 -0.0010 610 SER 47 CB -0.0193 -0.0099 0.0070 611 SER 47 OG -0.0237 -0.0041 0.0070 612 SER 47 H -0.0095 -0.0098 0.0035 613 SER 47 HA -0.0079 -0.0161 0.0046 614 SER 47 HB2 -0.0194 -0.0076 0.0064 615 SER 47 HB3 -0.0219 -0.0151 0.0093 616 SER 47 HG -0.0281 -0.0058 0.0090 617 VAL 48 N -0.0024 -0.0004 -0.0013 618 VAL 48 CA 0.0008 0.0029 -0.0019 619 VAL 48 C 0.0005 0.0038 -0.0019 620 VAL 48 O -0.0008 0.0011 -0.0016 621 VAL 48 CB 0.0054 0.0015 -0.0027 622 VAL 48 CG1 0.0059 0.0011 -0.0028 623 VAL 48 CG2 0.0065 -0.0028 -0.0028 624 VAL 48 H -0.0025 -0.0025 -0.0013 625 VAL 48 HA 0.0000 0.0055 -0.0019 626 VAL 48 HB 0.0073 0.0037 -0.0031 627 VAL 48 HG11 0.0088 0.0002 -0.0033 628 VAL 48 HG12 0.0053 0.0039 -0.0027 629 VAL 48 HG13 0.0039 -0.0010 -0.0024 630 VAL 48 HG21 0.0093 -0.0037 -0.0033 631 VAL 48 HG22 0.0044 -0.0049 -0.0024 632 VAL 48 HG23 0.0066 -0.0023 -0.0028 633 TRP 49 N -0.0021 0.0037 -0.0007 634 TRP 49 CA -0.0039 0.0066 -0.0016 635 TRP 49 C -0.0020 0.0065 -0.0040 636 TRP 49 O 0.0005 0.0060 -0.0066 637 TRP 49 CB -0.0051 0.0096 -0.0035 638 TRP 49 CG -0.0076 0.0106 -0.0014 639 TRP 49 CD1 -0.0076 0.0104 -0.0011 640 TRP 49 CD2 -0.0106 0.0120 0.0009 641 TRP 49 NE1 -0.0104 0.0115 0.0012 642 TRP 49 CE2 -0.0123 0.0125 0.0025 643 TRP 49 CE3 -0.0120 0.0128 0.0018 644 TRP 49 CZ2 -0.0153 0.0138 0.0049 645 TRP 49 CZ3 -0.0150 0.0141 0.0041 646 TRP 49 CH2 -0.0166 0.0147 0.0056 647 TRP 49 H -0.0011 0.0039 -0.0022 648 TRP 49 HA -0.0056 0.0068 0.0004 649 TRP 49 HB2 -0.0035 0.0093 -0.0051 650 TRP 49 HB3 -0.0057 0.0114 -0.0047 651 TRP 49 HD1 -0.0060 0.0097 -0.0024 652 TRP 49 HE1 -0.0109 0.0115 0.0018 653 TRP 49 HE3 -0.0110 0.0125 0.0008 654 TRP 49 HZ2 -0.0164 0.0141 0.0059 655 TRP 49 HZ3 -0.0160 0.0147 0.0047 656 TRP 49 HH2 -0.0187 0.0156 0.0072 657 VAL 50 N 0.0024 0.0059 -0.0044 658 VAL 50 CA 0.0042 0.0053 -0.0038 659 VAL 50 C 0.0029 0.0060 -0.0044 660 VAL 50 O 0.0005 0.0055 -0.0041 661 VAL 50 CB 0.0045 0.0029 -0.0018 662 VAL 50 CG1 0.0064 0.0023 -0.0012 663 VAL 50 CG2 0.0055 0.0021 -0.0011 664 VAL 50 H 0.0009 0.0053 -0.0039 665 VAL 50 HA 0.0060 0.0060 -0.0043 666 VAL 50 HB 0.0027 0.0022 -0.0013 667 VAL 50 HG11 0.0069 0.0008 0.0000 668 VAL 50 HG12 0.0055 0.0025 -0.0014 669 VAL 50 HG13 0.0080 0.0032 -0.0019 670 VAL 50 HG21 0.0059 0.0006 0.0001 671 VAL 50 HG22 0.0072 0.0029 -0.0017 672 VAL 50 HG23 0.0042 0.0024 -0.0014 673 ILE 51 N -0.0018 0.0037 0.0025 674 ILE 51 CA -0.0021 0.0025 0.0029 675 ILE 51 C -0.0021 0.0023 0.0043 676 ILE 51 O -0.0020 0.0029 0.0051 677 ILE 51 CB -0.0021 0.0024 0.0025 678 ILE 51 CG1 -0.0020 0.0028 0.0011 679 ILE 51 CG2 -0.0024 0.0010 0.0026 680 ILE 51 CD1 -0.0017 0.0040 0.0011 681 ILE 51 H -0.0017 0.0043 0.0030 682 ILE 51 HA -0.0022 0.0019 0.0024 683 ILE 51 HB -0.0020 0.0029 0.0031 684 ILE 51 HG12 -0.0021 0.0022 0.0007 685 ILE 51 HG13 -0.0019 0.0029 0.0007 686 ILE 51 HG21 -0.0024 0.0009 0.0023 687 ILE 51 HG22 -0.0024 0.0007 0.0035 688 ILE 51 HG23 -0.0025 0.0005 0.0020 689 ILE 51 HD11 -0.0017 0.0043 0.0002 690 ILE 51 HD12 -0.0016 0.0047 0.0015 691 ILE 51 HD13 -0.0018 0.0039 0.0015 692 ARG 52 N -0.0026 -0.0013 0.0032 693 ARG 52 CA -0.0039 -0.0010 0.0036 694 ARG 52 C -0.0051 -0.0018 0.0030 695 ARG 52 O -0.0052 -0.0023 0.0026 696 ARG 52 CB -0.0043 0.0001 0.0046 697 ARG 52 CG -0.0057 0.0005 0.0052 698 ARG 52 CD -0.0059 0.0015 0.0060 699 ARG 52 NE -0.0072 0.0019 0.0067 700 ARG 52 CZ -0.0077 0.0028 0.0074 701 ARG 52 NH1 -0.0070 0.0032 0.0077 702 ARG 52 NH2 -0.0089 0.0031 0.0079 703 ARG 52 H -0.0024 -0.0010 0.0034 704 ARG 52 HA -0.0038 -0.0009 0.0037 705 ARG 52 HB2 -0.0035 0.0006 0.0050 706 ARG 52 HB3 -0.0044 -0.0001 0.0045 707 ARG 52 HG2 -0.0065 -0.0000 0.0048 708 ARG 52 HG3 -0.0056 0.0008 0.0054 709 ARG 52 HD2 -0.0051 0.0020 0.0064 710 ARG 52 HD3 -0.0060 0.0012 0.0058 711 ARG 52 HE -0.0077 0.0017 0.0065 712 ARG 52 HH11 -0.0062 0.0030 0.0074 713 ARG 52 HH12 -0.0073 0.0037 0.0082 714 ARG 52 HH21 -0.0094 0.0029 0.0078 715 ARG 52 HH22 -0.0092 0.0037 0.0084 716 GLN 53 N -0.0072 0.0003 0.0067 717 GLN 53 CA -0.0063 -0.0011 0.0090 718 GLN 53 C -0.0049 0.0010 0.0064 719 GLN 53 O -0.0055 0.0033 0.0029 720 GLN 53 CB -0.0107 -0.0033 0.0107 721 GLN 53 CG -0.0131 -0.0050 0.0124 722 GLN 53 CD -0.0104 -0.0069 0.0162 723 GLN 53 OE1 -0.0087 -0.0081 0.0186 724 GLN 53 NE2 -0.0099 -0.0071 0.0167 725 GLN 53 H -0.0098 0.0006 0.0053 726 GLN 53 HA -0.0039 -0.0020 0.0112 727 GLN 53 HB2 -0.0129 -0.0024 0.0086 728 GLN 53 HB3 -0.0100 -0.0045 0.0127 729 GLN 53 HG2 -0.0133 -0.0039 0.0106 730 GLN 53 HG3 -0.0161 -0.0061 0.0130 731 GLN 53 HE21 -0.0111 -0.0062 0.0149 732 GLN 53 HE22 -0.0084 -0.0082 0.0188 733 LYS 54 N -0.0119 0.0102 -0.0038 734 LYS 54 CA -0.0070 0.0022 -0.0009 735 LYS 54 C -0.0061 0.0040 0.0055 736 LYS 54 O -0.0025 -0.0023 0.0069 737 LYS 54 CB -0.0030 -0.0025 0.0047 738 LYS 54 CG -0.0019 -0.0077 -0.0015 739 LYS 54 CD 0.0010 -0.0103 0.0045 740 LYS 54 CE -0.0007 -0.0100 -0.0011 741 LYS 54 NZ -0.0003 -0.0157 -0.0105 742 LYS 54 H -0.0119 0.0113 -0.0017 743 LYS 54 HA -0.0066 -0.0015 -0.0067 744 LYS 54 HB2 -0.0041 0.0020 0.0089 745 LYS 54 HB3 0.0001 -0.0065 0.0083 746 LYS 54 HG2 -0.0000 -0.0131 -0.0046 747 LYS 54 HG3 -0.0051 -0.0042 -0.0062 748 LYS 54 HD2 0.0005 -0.0062 0.0103 749 LYS 54 HD3 0.0046 -0.0163 0.0060 750 LYS 54 HE2 -0.0041 -0.0039 -0.0023 751 LYS 54 HE3 0.0014 -0.0119 0.0027 752 LYS 54 HZ1 -0.0014 -0.0153 -0.0135 753 LYS 54 HZ2 0.0029 -0.0213 -0.0096 754 LYS 54 HZ3 -0.0022 -0.0140 -0.0141 755 ASP 55 N 0.0100 0.0209 -0.0060 756 ASP 55 CA 0.0261 0.0086 -0.0150 757 ASP 55 C 0.0185 -0.0140 -0.0171 758 ASP 55 O 0.0299 -0.0256 -0.0241 759 ASP 55 CB 0.0367 0.0202 -0.0166 760 ASP 55 CG 0.0238 0.0194 -0.0117 761 ASP 55 OD1 0.0050 0.0160 -0.0051 762 ASP 55 OD2 0.0323 0.0220 -0.0145 763 ASP 55 H 0.0029 0.0264 -0.0019 764 ASP 55 HA 0.0363 0.0077 -0.0192 765 ASP 55 HB2 0.0491 0.0135 -0.0230 766 ASP 55 HB3 0.0399 0.0350 -0.0146 767 ASP 56 N -0.0154 -0.0023 -0.0130 768 ASP 56 CA -0.0160 -0.0025 -0.0135 769 ASP 56 C -0.0198 -0.0103 -0.0122 770 ASP 56 O -0.0210 -0.0110 -0.0132 771 ASP 56 CB -0.0180 0.0027 -0.0204 772 ASP 56 CG -0.0134 0.0108 -0.0209 773 ASP 56 OD1 -0.0084 0.0123 -0.0154 774 ASP 56 OD2 -0.0149 0.0155 -0.0266 775 ASP 56 H -0.0121 -0.0016 -0.0091 776 ASP 56 HA -0.0121 -0.0008 -0.0099 777 ASP 56 HB2 -0.0214 0.0020 -0.0243 778 ASP 56 HB3 -0.0190 0.0016 -0.0208 779 SER 57 N -0.0228 -0.0013 -0.0148 780 SER 57 CA -0.0305 -0.0090 -0.0097 781 SER 57 C -0.0225 -0.0101 -0.0026 782 SER 57 O -0.0112 -0.0063 0.0003 783 SER 57 CB -0.0362 -0.0175 -0.0021 784 SER 57 OG -0.0270 -0.0194 0.0070 785 SER 57 H -0.0216 -0.0025 -0.0123 786 SER 57 HA -0.0371 -0.0080 -0.0156 787 SER 57 HB2 -0.0416 -0.0224 0.0008 788 SER 57 HB3 -0.0409 -0.0167 -0.0064 789 SER 57 HG -0.0304 -0.0242 0.0113 790 LEU 58 N -0.0035 -0.0023 -0.0018 791 LEU 58 CA -0.0009 -0.0027 -0.0010 792 LEU 58 C 0.0003 -0.0053 -0.0018 793 LEU 58 O -0.0004 -0.0065 -0.0026 794 LEU 58 CB 0.0007 -0.0009 0.0004 795 LEU 58 CG -0.0004 0.0018 0.0012 796 LEU 58 CD1 -0.0009 0.0029 0.0016 797 LEU 58 CD2 0.0014 0.0031 0.0025 798 LEU 58 H -0.0037 -0.0028 -0.0021 799 LEU 58 HA -0.0009 -0.0025 -0.0009 800 LEU 58 HB2 0.0007 -0.0012 0.0003 801 LEU 58 HB3 0.0023 -0.0012 0.0009 802 LEU 58 HG -0.0019 0.0019 0.0007 803 LEU 58 HD11 -0.0015 0.0047 0.0021 804 LEU 58 HD12 -0.0022 0.0022 0.0007 805 LEU 58 HD13 0.0007 0.0027 0.0020 806 LEU 58 HD21 0.0006 0.0048 0.0030 807 LEU 58 HD22 0.0030 0.0030 0.0030 808 LEU 58 HD23 0.0017 0.0024 0.0023 809 LYS 59 N -0.0083 0.0045 0.0054 810 LYS 59 CA -0.0089 0.0056 0.0053 811 LYS 59 C -0.0042 0.0105 -0.0039 812 LYS 59 O 0.0021 0.0086 -0.0097 813 LYS 59 CB -0.0058 -0.0039 0.0090 814 LYS 59 CG -0.0112 -0.0084 0.0187 815 LYS 59 CD -0.0071 -0.0188 0.0220 816 LYS 59 CE -0.0124 -0.0232 0.0315 817 LYS 59 NZ -0.0161 -0.0245 0.0368 818 LYS 59 H -0.0037 0.0009 0.0029 819 LYS 59 HA -0.0144 0.0092 0.0087 820 LYS 59 HB2 -0.0008 -0.0081 0.0066 821 LYS 59 HB3 -0.0053 -0.0029 0.0076 822 LYS 59 HG2 -0.0155 -0.0055 0.0213 823 LYS 59 HG3 -0.0133 -0.0074 0.0203 824 LYS 59 HD2 -0.0025 -0.0218 0.0190 825 LYS 59 HD3 -0.0055 -0.0199 0.0211 826 LYS 59 HE2 -0.0165 -0.0192 0.0331 827 LYS 59 HE3 -0.0093 -0.0294 0.0328 828 LYS 59 HZ1 -0.0125 -0.0283 0.0355 829 LYS 59 HZ2 -0.0189 -0.0189 0.0357 830 LYS 59 HZ3 -0.0192 -0.0270 0.0423 831 VAL 60 N 0.0106 0.0018 0.0028 832 VAL 60 CA 0.0098 0.0017 0.0022 833 VAL 60 C 0.0091 0.0025 0.0023 834 VAL 60 O 0.0091 0.0031 0.0027 835 VAL 60 CB 0.0097 0.0012 0.0018 836 VAL 60 CG1 0.0088 0.0012 0.0013 837 VAL 60 CG2 0.0103 0.0004 0.0017 838 VAL 60 H 0.0107 0.0022 0.0031 839 VAL 60 HA 0.0097 0.0013 0.0019 840 VAL 60 HB 0.0098 0.0016 0.0021 841 VAL 60 HG11 0.0088 0.0008 0.0010 842 VAL 60 HG12 0.0084 0.0017 0.0014 843 VAL 60 HG13 0.0086 0.0010 0.0010 844 VAL 60 HG21 0.0102 0.0001 0.0014 845 VAL 60 HG22 0.0103 0.0001 0.0015 846 VAL 60 HG23 0.0109 0.0005 0.0021 847 PHE 61 N 0.0021 0.0042 0.0016 848 PHE 61 CA 0.0031 0.0040 0.0005 849 PHE 61 C 0.0043 0.0049 -0.0000 850 PHE 61 O 0.0044 0.0051 0.0000 851 PHE 61 CB 0.0029 0.0025 -0.0004 852 PHE 61 CG 0.0017 0.0016 -0.0000 853 PHE 61 CD1 0.0015 0.0014 0.0000 854 PHE 61 CD2 0.0007 0.0008 0.0003 855 PHE 61 CE1 0.0004 0.0005 0.0004 856 PHE 61 CE2 -0.0004 -0.0001 0.0007 857 PHE 61 CZ -0.0005 -0.0002 0.0007 858 PHE 61 H 0.0021 0.0041 0.0015 859 PHE 61 HA 0.0030 0.0043 0.0007 860 PHE 61 HB2 0.0029 0.0023 -0.0006 861 PHE 61 HB3 0.0035 0.0024 -0.0011 862 PHE 61 HD1 0.0022 0.0019 -0.0002 863 PHE 61 HD2 0.0008 0.0009 0.0003 864 PHE 61 HE1 0.0003 0.0004 0.0004 865 PHE 61 HE2 -0.0010 -0.0006 0.0009 866 PHE 61 HZ -0.0013 -0.0008 0.0010 867 SER 62 N 0.0036 0.0021 0.0007 868 SER 62 CA 0.0035 0.0022 0.0004 869 SER 62 C 0.0023 0.0019 -0.0004 870 SER 62 O 0.0018 0.0020 -0.0012 871 SER 62 CB 0.0045 0.0030 -0.0003 872 SER 62 OG 0.0045 0.0031 -0.0006 873 SER 62 H 0.0041 0.0025 0.0004 874 SER 62 HA 0.0036 0.0019 0.0012 875 SER 62 HB2 0.0053 0.0031 0.0002 876 SER 62 HB3 0.0044 0.0032 -0.0011 877 SER 62 HG 0.0042 0.0027 -0.0001 878 THR 63 N 0.0010 -0.0015 0.0020 879 THR 63 CA -0.0018 0.0003 0.0033 880 THR 63 C -0.0007 -0.0003 0.0024 881 THR 63 O -0.0029 0.0013 0.0030 882 THR 63 CB -0.0032 -0.0002 0.0080 883 THR 63 OG1 -0.0005 -0.0031 0.0102 884 THR 63 CG2 -0.0048 0.0007 0.0090 885 THR 63 H 0.0019 -0.0030 0.0040 886 THR 63 HA -0.0036 0.0023 0.0017 887 THR 63 HB -0.0051 0.0011 0.0088 888 THR 63 HG1 -0.0013 -0.0035 0.0127 889 THR 63 HG21 -0.0057 0.0004 0.0120 890 THR 63 HG22 -0.0067 0.0028 0.0076 891 THR 63 HG23 -0.0031 -0.0004 0.0081 892 ASN 64 N 0.0060 -0.0006 -0.0009 893 ASN 64 CA 0.0071 -0.0004 -0.0022 894 ASN 64 C 0.0068 -0.0002 -0.0040 895 ASN 64 O 0.0073 -0.0001 -0.0043 896 ASN 64 CB 0.0090 -0.0001 -0.0016 897 ASN 64 CG 0.0102 0.0001 -0.0028 898 ASN 64 OD1 0.0099 0.0001 -0.0030 899 ASN 64 ND2 0.0116 0.0004 -0.0034 900 ASN 64 H 0.0066 -0.0006 -0.0004 901 ASN 64 HA 0.0066 -0.0004 -0.0023 902 ASN 64 HB2 0.0091 -0.0002 -0.0004 903 ASN 64 HB3 0.0094 -0.0001 -0.0017 904 ASN 64 HD21 0.0123 0.0006 -0.0041 905 ASN 64 HD22 0.0118 0.0004 -0.0032 906 ASN 64 N 0.0060 -0.0006 -0.0008 907 ASN 64 CA 0.0069 -0.0004 -0.0022 908 ASN 64 C 0.0067 -0.0003 -0.0040 909 ASN 64 O 0.0069 -0.0002 -0.0042 910 ASN 64 CB 0.0089 -0.0001 -0.0019 911 ASN 64 CG 0.0093 -0.0002 -0.0003 912 ASN 64 OD1 0.0083 -0.0004 0.0001 913 ASN 64 ND2 0.0108 -0.0001 0.0006 914 ASN 64 H 0.0067 -0.0006 -0.0003 915 ASN 64 HA 0.0064 -0.0004 -0.0023 916 ASN 64 HB2 0.0094 -0.0001 -0.0016 917 ASN 64 HB3 0.0095 0.0001 -0.0029 918 ASN 64 HD21 0.0111 -0.0001 0.0014 919 ASN 64 HD22 0.0114 0.0000 0.0002 920 CYS 65 N 0.0121 -0.0029 -0.0054 921 CYS 65 CA 0.0121 -0.0023 -0.0061 922 CYS 65 C 0.0129 -0.0018 -0.0064 923 CYS 65 O 0.0132 -0.0017 -0.0064 924 CYS 65 CB 0.0113 -0.0020 -0.0066 925 CYS 65 SG 0.0112 -0.0013 -0.0074 926 CYS 65 HA 0.0121 -0.0023 -0.0060 927 CYS 65 HB2 0.0107 -0.0023 -0.0064 928 CYS 65 HB3 0.0113 -0.0020 -0.0067 929 CYS 65 H 0.0117 -0.0030 -0.0054 930 CYS 65 H 0.0117 -0.0030 -0.0054 931 PRO 66 N 0.0113 0.0071 -0.0146 932 PRO 66 CA 0.0118 0.0091 -0.0141 933 PRO 66 C 0.0135 0.0084 -0.0174 934 PRO 66 O 0.0141 0.0104 -0.0173 935 PRO 66 CB 0.0093 0.0075 -0.0108 936 PRO 66 CG 0.0079 0.0033 -0.0109 937 PRO 66 CD 0.0088 0.0040 -0.0121 938 PRO 66 HA 0.0124 0.0120 -0.0134 939 PRO 66 HB2 0.0094 0.0072 -0.0111 940 PRO 66 HB3 0.0086 0.0093 -0.0084 941 PRO 66 HG2 0.0082 0.0013 -0.0127 942 PRO 66 HG3 0.0062 0.0026 -0.0085 943 PRO 66 HD2 0.0087 0.0015 -0.0135 944 PRO 66 HD3 0.0080 0.0050 -0.0100 945 HIS 67 N 0.0211 0.0046 -0.0050 946 HIS 67 CA 0.0184 0.0054 -0.0003 947 HIS 67 C 0.0140 0.0025 -0.0000 948 HIS 67 O 0.0109 0.0006 0.0005 949 HIS 67 CB 0.0206 0.0087 0.0027 950 HIS 67 CG 0.0180 0.0097 0.0075 951 HIS 67 ND1 0.0174 0.0106 0.0099 952 HIS 67 CD2 0.0158 0.0098 0.0105 953 HIS 67 CE1 0.0149 0.0113 0.0141 954 HIS 67 NE2 0.0139 0.0108 0.0145 955 HIS 67 H 0.0231 0.0056 -0.0056 956 HIS 67 HA 0.0180 0.0058 0.0009 957 HIS 67 HB2 0.0233 0.0105 0.0026 958 HIS 67 HB3 0.0212 0.0084 0.0015 959 HIS 67 HD2 0.0156 0.0093 0.0099 960 HIS 67 HE1 0.0141 0.0120 0.0163 961 HIS 67 HE2 0.0123 0.0111 0.0169 962 LEU 68 N 0.0139 0.0022 0.0050 963 LEU 68 CA 0.0013 0.0028 -0.0030 964 LEU 68 C 0.0033 -0.0010 -0.0206 965 LEU 68 O -0.0033 -0.0014 -0.0284 966 LEU 68 CB -0.0010 0.0046 0.0041 967 LEU 68 CG -0.0077 0.0090 0.0202 968 LEU 68 CD1 -0.0089 0.0104 0.0262 969 LEU 68 CD2 -0.0237 0.0119 0.0205 970 LEU 68 H 0.0230 -0.0001 0.0018 971 LEU 68 HA -0.0085 0.0049 -0.0015 972 LEU 68 HB2 0.0090 0.0030 0.0048 973 LEU 68 HB3 -0.0081 0.0045 -0.0027 974 LEU 68 HG -0.0007 0.0091 0.0270 975 LEU 68 HD11 -0.0132 0.0132 0.0365 976 LEU 68 HD12 0.0014 0.0087 0.0267 977 LEU 68 HD13 -0.0157 0.0102 0.0191 978 LEU 68 HD21 -0.0285 0.0147 0.0302 979 LEU 68 HD22 -0.0301 0.0114 0.0118 980 LEU 68 HD23 -0.0224 0.0115 0.0196 981 GLY 69 N 0.0168 -0.0067 -0.0075 982 GLY 69 CA 0.0168 -0.0080 -0.0041 983 GLY 69 C 0.0135 -0.0055 0.0000 984 GLY 69 O 0.0136 -0.0069 0.0035 985 GLY 69 H 0.0163 -0.0051 -0.0103 986 GLY 69 HA2 0.0175 -0.0081 -0.0061 987 GLY 69 HA3 0.0186 -0.0108 -0.0024 988 CYS 70 N 0.0094 -0.0068 0.0011 989 CYS 70 CA 0.0047 -0.0060 0.0046 990 CYS 70 C 0.0045 -0.0060 0.0049 991 CYS 70 O 0.0073 -0.0058 0.0017 992 CYS 70 CB 0.0004 -0.0021 0.0032 993 CYS 70 SG -0.0005 -0.0021 0.0041 994 CYS 70 H 0.0092 -0.0050 -0.0015 995 CYS 70 HA 0.0045 -0.0080 0.0078 996 CYS 70 HB2 0.0010 -0.0001 -0.0003 997 CYS 70 HB3 -0.0026 -0.0014 0.0052 998 GLY 71 N 0.0030 -0.0030 0.0098 999 GLY 71 CA -0.0009 -0.0013 0.0116 1000 GLY 71 C -0.0060 0.0001 0.0077 1001 GLY 71 O -0.0085 0.0008 0.0060 1002 GLY 71 H 0.0032 -0.0028 0.0119 1003 GLY 71 HA2 0.0009 -0.0019 0.0116 1004 GLY 71 HA3 -0.0020 -0.0004 0.0155 1005 ILE 72 N -0.0026 -0.0024 0.0031 1006 ILE 72 CA -0.0047 -0.0010 0.0011 1007 ILE 72 C -0.0072 -0.0004 0.0031 1008 ILE 72 O -0.0068 -0.0012 0.0053 1009 ILE 72 CB -0.0031 -0.0011 -0.0010 1010 ILE 72 CG1 -0.0007 -0.0016 -0.0033 1011 ILE 72 CG2 -0.0054 0.0003 -0.0026 1012 ILE 72 CD1 0.0011 -0.0019 -0.0051 1013 ILE 72 H -0.0013 -0.0031 0.0035 1014 ILE 72 HA -0.0055 -0.0003 -0.0002 1015 ILE 72 HB -0.0021 -0.0019 0.0003 1016 ILE 72 HG12 -0.0017 -0.0008 -0.0047 1017 ILE 72 HG13 0.0005 -0.0024 -0.0021 1018 ILE 72 HG21 -0.0043 0.0002 -0.0041 1019 ILE 72 HG22 -0.0066 0.0004 -0.0011 1020 ILE 72 HG23 -0.0066 0.0011 -0.0036 1021 ILE 72 HD11 0.0023 -0.0020 -0.0068 1022 ILE 72 HD12 0.0024 -0.0028 -0.0038 1023 ILE 72 HD13 -0.0002 -0.0011 -0.0060 1024 ASP 73 N -0.0104 -0.0022 0.0045 1025 ASP 73 CA -0.0120 -0.0008 0.0055 1026 ASP 73 C -0.0092 0.0030 0.0015 1027 ASP 73 O -0.0074 0.0063 -0.0014 1028 ASP 73 CB -0.0172 0.0025 0.0090 1029 ASP 73 CG -0.0204 -0.0011 0.0132 1030 ASP 73 OD1 -0.0196 -0.0065 0.0145 1031 ASP 73 OD2 -0.0237 0.0016 0.0153 1032 ASP 73 H -0.0114 0.0007 0.0044 1033 ASP 73 HA -0.0117 -0.0045 0.0065 1034 ASP 73 HB2 -0.0175 0.0060 0.0080 1035 ASP 73 HB3 -0.0182 0.0036 0.0095 1036 TRP 74 N 0.0023 0.0026 0.0060 1037 TRP 74 CA 0.0031 0.0031 0.0058 1038 TRP 74 C 0.0037 0.0037 0.0062 1039 TRP 74 O 0.0038 0.0036 0.0060 1040 TRP 74 CB 0.0035 0.0029 0.0047 1041 TRP 74 CG 0.0044 0.0035 0.0045 1042 TRP 74 CD1 0.0051 0.0038 0.0041 1043 TRP 74 CD2 0.0047 0.0038 0.0046 1044 TRP 74 NE1 0.0058 0.0043 0.0040 1045 TRP 74 CE2 0.0056 0.0043 0.0043 1046 TRP 74 CE3 0.0043 0.0036 0.0050 1047 TRP 74 CZ2 0.0061 0.0046 0.0043 1048 TRP 74 CZ3 0.0048 0.0040 0.0050 1049 TRP 74 CH2 0.0057 0.0045 0.0047 1050 TRP 74 H 0.0023 0.0024 0.0056 1051 TRP 74 HA 0.0031 0.0032 0.0061 1052 TRP 74 HB2 0.0032 0.0026 0.0044 1053 TRP 74 HB3 0.0035 0.0028 0.0044 1054 TRP 74 HD1 0.0051 0.0038 0.0040 1055 TRP 74 HE1 0.0063 0.0046 0.0037 1056 TRP 74 HE3 0.0038 0.0033 0.0052 1057 TRP 74 HZ2 0.0066 0.0049 0.0041 1058 TRP 74 HZ3 0.0046 0.0039 0.0052 1059 TRP 74 HH2 0.0060 0.0047 0.0047 1060 ALA 75 N 0.0255 0.0020 0.0026 1061 ALA 75 CA 0.0283 -0.0009 0.0018 1062 ALA 75 C 0.0272 -0.0024 0.0033 1063 ALA 75 O 0.0252 -0.0045 0.0058 1064 ALA 75 CB 0.0294 -0.0040 0.0025 1065 ALA 75 H 0.0240 0.0011 0.0041 1066 ALA 75 HA 0.0302 0.0002 -0.0001 1067 ALA 75 HB1 0.0313 -0.0060 0.0020 1068 ALA 75 HB2 0.0302 -0.0030 0.0015 1069 ALA 75 HB3 0.0275 -0.0051 0.0044 1070 ASN 76 N 0.0262 -0.0088 0.0142 1071 ASN 76 CA 0.0180 -0.0109 0.0186 1072 ASN 76 C 0.0159 -0.0216 0.0165 1073 ASN 76 O 0.0083 -0.0251 0.0202 1074 ASN 76 CB 0.0180 -0.0040 0.0207 1075 ASN 76 CG 0.0122 0.0039 0.0267 1076 ASN 76 OD1 0.0044 0.0017 0.0308 1077 ASN 76 ND2 0.0159 0.0131 0.0273 1078 ASN 76 H 0.0305 -0.0053 0.0127 1079 ASN 76 HA 0.0132 -0.0096 0.0219 1080 ASN 76 HB2 0.0240 -0.0007 0.0181 1081 ASN 76 HB3 0.0159 -0.0079 0.0208 1082 ASN 76 HD21 0.0213 0.0144 0.0243 1083 ASN 76 HD22 0.0129 0.0179 0.0306 1084 ASP 77 N 0.0131 -0.0083 0.0368 1085 ASP 77 CA -0.0151 -0.0008 0.0123 1086 ASP 77 C -0.0021 0.0066 -0.0200 1087 ASP 77 O -0.0174 0.0101 -0.0310 1088 ASP 77 CB -0.0337 0.0017 0.0058 1089 ASP 77 CG -0.0103 0.0035 -0.0059 1090 ASP 77 OD1 0.0219 0.0025 -0.0086 1091 ASP 77 OD2 -0.0253 0.0059 -0.0126 1092 ASP 77 H 0.0211 -0.0092 0.0387 1093 ASP 77 HA -0.0331 -0.0023 0.0220 1094 ASP 77 HB2 -0.0511 0.0069 -0.0116 1095 ASP 77 HB3 -0.0451 -0.0029 0.0268 1096 VAL 78 N 0.0215 -0.0041 -0.0094 1097 VAL 78 CA 0.0238 -0.0028 -0.0136 1098 VAL 78 C 0.0279 -0.0021 -0.0097 1099 VAL 78 O 0.0298 -0.0011 -0.0126 1100 VAL 78 CB 0.0272 -0.0009 -0.0195 1101 VAL 78 CG1 0.0227 -0.0016 -0.0238 1102 VAL 78 CG2 0.0329 0.0005 -0.0171 1103 VAL 78 H 0.0239 -0.0034 -0.0091 1104 VAL 78 HA 0.0202 -0.0036 -0.0154 1105 VAL 78 HB 0.0288 -0.0001 -0.0220 1106 VAL 78 HG11 0.0250 -0.0004 -0.0275 1107 VAL 78 HG12 0.0193 -0.0024 -0.0254 1108 VAL 78 HG13 0.0211 -0.0025 -0.0214 1109 VAL 78 HG21 0.0353 0.0017 -0.0209 1110 VAL 78 HG22 0.0313 -0.0003 -0.0150 1111 VAL 78 HG23 0.0356 0.0009 -0.0141 1112 SER 79 N 0.0253 -0.0032 0.0002 1113 SER 79 CA 0.0242 -0.0023 0.0008 1114 SER 79 C 0.0220 -0.0006 0.0026 1115 SER 79 O 0.0217 -0.0003 0.0049 1116 SER 79 CB 0.0259 -0.0035 0.0023 1117 SER 79 OG 0.0276 -0.0049 0.0003 1118 SER 79 H 0.0256 -0.0035 -0.0016 1119 SER 79 HA 0.0237 -0.0021 -0.0011 1120 SER 79 HB2 0.0267 -0.0040 0.0040 1121 SER 79 HB3 0.0251 -0.0028 0.0030 1122 SER 79 HG 0.0286 -0.0056 0.0010 1123 ARG 80 N 0.0172 -0.0016 -0.0087 1124 ARG 80 CA 0.0154 -0.0028 -0.0080 1125 ARG 80 C 0.0124 -0.0066 -0.0078 1126 ARG 80 O 0.0109 -0.0074 -0.0070 1127 ARG 80 CB 0.0140 0.0002 -0.0049 1128 ARG 80 CG 0.0166 0.0042 -0.0045 1129 ARG 80 CD 0.0194 0.0044 -0.0068 1130 ARG 80 NE 0.0212 0.0085 -0.0058 1131 ARG 80 CZ 0.0243 0.0098 -0.0076 1132 ARG 80 NH1 0.0259 0.0074 -0.0105 1133 ARG 80 NH2 0.0257 0.0135 -0.0064 1134 ARG 80 H 0.0157 -0.0020 -0.0077 1135 ARG 80 HA 0.0171 -0.0032 -0.0097 1136 ARG 80 HB2 0.0122 0.0003 -0.0032 1137 ARG 80 HB3 0.0131 -0.0007 -0.0046 1138 ARG 80 HG2 0.0178 0.0051 -0.0050 1139 ARG 80 HG3 0.0154 0.0059 -0.0024 1140 ARG 80 HD2 0.0183 0.0030 -0.0067 1141 ARG 80 HD3 0.0210 0.0034 -0.0089 1142 ARG 80 HE 0.0203 0.0101 -0.0039 1143 ARG 80 HH11 0.0250 0.0050 -0.0112 1144 ARG 80 HH12 0.0278 0.0083 -0.0116 1145 ARG 80 HH21 0.0246 0.0151 -0.0045 1146 ARG 80 HH22 0.0276 0.0144 -0.0075 1147 PHE 81 N -0.0017 0.0002 -0.0046 1148 PHE 81 CA -0.0003 -0.0000 -0.0038 1149 PHE 81 C 0.0009 -0.0012 -0.0037 1150 PHE 81 O 0.0007 -0.0025 -0.0045 1151 PHE 81 CB -0.0004 -0.0005 -0.0042 1152 PHE 81 CG -0.0014 0.0007 -0.0041 1153 PHE 81 CD1 -0.0009 0.0020 -0.0031 1154 PHE 81 CD2 -0.0028 0.0006 -0.0050 1155 PHE 81 CE1 -0.0017 0.0032 -0.0030 1156 PHE 81 CE2 -0.0036 0.0018 -0.0049 1157 PHE 81 CZ -0.0031 0.0031 -0.0039 1158 PHE 81 H -0.0023 -0.0003 -0.0053 1159 PHE 81 HA -0.0000 0.0010 -0.0031 1160 PHE 81 HB2 -0.0009 -0.0014 -0.0049 1161 PHE 81 HB3 0.0006 -0.0009 -0.0037 1162 PHE 81 HD1 0.0001 0.0021 -0.0024 1163 PHE 81 HD2 -0.0031 -0.0003 -0.0057 1164 PHE 81 HE1 -0.0013 0.0040 -0.0023 1165 PHE 81 HE2 -0.0046 0.0017 -0.0056 1166 PHE 81 HZ -0.0037 0.0038 -0.0038 1167 LEU 82 N -0.0020 0.0014 -0.0036 1168 LEU 82 CA -0.0030 0.0018 -0.0013 1169 LEU 82 C -0.0051 0.0003 -0.0012 1170 LEU 82 O -0.0055 -0.0006 -0.0025 1171 LEU 82 CB -0.0021 0.0028 -0.0005 1172 LEU 82 CG 0.0000 0.0044 -0.0005 1173 LEU 82 CD1 0.0007 0.0053 0.0005 1174 LEU 82 CD2 0.0005 0.0052 0.0006 1175 LEU 82 H -0.0021 0.0010 -0.0044 1176 LEU 82 HA -0.0030 0.0022 -0.0005 1177 LEU 82 HB2 -0.0023 0.0023 -0.0013 1178 LEU 82 HB3 -0.0028 0.0030 0.0010 1179 LEU 82 HG 0.0007 0.0042 -0.0020 1180 LEU 82 HD11 0.0020 0.0063 0.0004 1181 LEU 82 HD12 0.0004 0.0048 -0.0003 1182 LEU 82 HD13 -0.0001 0.0055 0.0020 1183 LEU 82 HD21 0.0018 0.0062 0.0006 1184 LEU 82 HD22 -0.0003 0.0053 0.0021 1185 LEU 82 HD23 0.0002 0.0047 -0.0001 1186 CYS 83 N -0.0044 -0.0005 -0.0010 1187 CYS 83 CA -0.0030 -0.0017 0.0003 1188 CYS 83 C -0.0042 -0.0011 0.0004 1189 CYS 83 O -0.0043 -0.0004 -0.0016 1190 CYS 83 CB -0.0004 -0.0027 -0.0010 1191 CYS 83 SG 0.0011 -0.0041 0.0008 1192 CYS 83 H -0.0043 0.0000 -0.0026 1193 CYS 83 HA -0.0030 -0.0023 0.0020 1194 CYS 83 HB2 0.0004 -0.0031 -0.0010 1195 CYS 83 HB3 -0.0004 -0.0021 -0.0027 1196 PRO 84 N -0.0104 -0.0064 -0.0006 1197 PRO 84 CA -0.0131 -0.0053 -0.0013 1198 PRO 84 C -0.0052 -0.0087 -0.0038 1199 PRO 84 O -0.0069 -0.0080 -0.0054 1200 PRO 84 CB -0.0168 -0.0034 0.0091 1201 PRO 84 CG -0.0117 -0.0054 0.0158 1202 PRO 84 CD -0.0102 -0.0062 0.0098 1203 PRO 84 HA -0.0180 -0.0034 -0.0063 1204 PRO 84 HB2 -0.0155 -0.0039 0.0109 1205 PRO 84 HB3 -0.0234 -0.0006 0.0093 1206 PRO 84 HG2 -0.0059 -0.0078 0.0178 1207 PRO 84 HG3 -0.0154 -0.0036 0.0217 1208 PRO 84 HD2 -0.0042 -0.0086 0.0115 1209 PRO 84 HD3 -0.0151 -0.0041 0.0110 1210 CYS 85 N -0.0046 -0.0101 -0.0038 1211 CYS 85 CA -0.0044 -0.0051 -0.0076 1212 CYS 85 C -0.0043 -0.0022 -0.0097 1213 CYS 85 O -0.0061 -0.0006 -0.0145 1214 CYS 85 CB -0.0014 -0.0014 -0.0051 1215 CYS 85 SG -0.0024 -0.0037 -0.0051 1216 CYS 85 H -0.0028 -0.0100 -0.0006 1217 CYS 85 HA -0.0064 -0.0059 -0.0106 1218 CYS 85 HB2 0.0004 -0.0015 -0.0015 1219 CYS 85 HB3 -0.0009 0.0024 -0.0070 1220 HIS 86 N -0.0075 -0.0131 0.0042 1221 HIS 86 CA -0.0061 0.0028 0.0085 1222 HIS 86 C 0.0075 0.0039 0.0129 1223 HIS 86 O 0.0142 0.0159 0.0179 1224 HIS 86 CB -0.0052 0.0136 0.0115 1225 HIS 86 CG -0.0166 0.0110 0.0074 1226 HIS 86 ND1 -0.0134 0.0015 0.0060 1227 HIS 86 CD2 -0.0313 0.0162 0.0042 1228 HIS 86 CE1 -0.0258 0.0012 0.0022 1229 HIS 86 NE2 -0.0368 0.0099 0.0010 1230 HIS 86 H 0.0008 -0.0181 0.0055 1231 HIS 86 HA -0.0152 0.0063 0.0066 1232 HIS 86 HB2 0.0048 0.0120 0.0141 1233 HIS 86 HB3 -0.0068 0.0241 0.0135 1234 HIS 86 HD2 -0.0367 0.0228 0.0041 1235 HIS 86 HE1 -0.0266 -0.0042 0.0006 1236 HIS 86 HE2 -0.0459 0.0113 -0.0014 1237 GLU 87 N 0.0080 0.0134 0.0049 1238 GLU 87 CA -0.0028 -0.0056 0.0136 1239 GLU 87 C -0.0191 -0.0028 0.0321 1240 GLU 87 O -0.0283 -0.0192 0.0395 1241 GLU 87 CB 0.0019 -0.0279 0.0048 1242 GLU 87 CG 0.0180 -0.0322 -0.0137 1243 GLU 87 CD 0.0218 -0.0556 -0.0217 1244 GLU 87 OE1 0.0121 -0.0721 -0.0139 1245 GLU 87 OE2 0.0344 -0.0575 -0.0359 1246 GLU 87 H 0.0123 0.0212 0.0014 1247 GLU 87 HA -0.0027 -0.0061 0.0134 1248 GLU 87 HB2 0.0016 -0.0279 0.0051 1249 GLU 87 HB3 -0.0053 -0.0400 0.0107 1250 GLU 87 HG2 0.0188 -0.0306 -0.0143 1251 GLU 87 HG3 0.0254 -0.0213 -0.0201 1252 GLY 88 N -0.0019 -0.0013 0.0080 1253 GLY 88 CA -0.0007 -0.0016 0.0066 1254 GLY 88 C -0.0026 -0.0005 0.0069 1255 GLY 88 O -0.0041 -0.0002 0.0091 1256 GLY 88 H -0.0013 -0.0021 0.0096 1257 GLY 88 HA2 -0.0001 -0.0013 0.0047 1258 GLY 88 HA3 0.0007 -0.0027 0.0075 1259 VAL 89 N -0.0050 -0.0002 -0.0014 1260 VAL 89 CA -0.0037 0.0009 -0.0028 1261 VAL 89 C -0.0013 -0.0001 -0.0052 1262 VAL 89 O -0.0005 0.0005 -0.0061 1263 VAL 89 CB -0.0037 0.0044 -0.0026 1264 VAL 89 CG1 -0.0024 0.0054 -0.0040 1265 VAL 89 CG2 -0.0060 0.0056 -0.0002 1266 VAL 89 H -0.0044 0.0001 -0.0020 1267 VAL 89 HA -0.0042 -0.0001 -0.0022 1268 VAL 89 HB -0.0031 0.0054 -0.0033 1269 VAL 89 HG11 -0.0026 0.0076 -0.0037 1270 VAL 89 HG12 -0.0009 0.0051 -0.0056 1271 VAL 89 HG13 -0.0028 0.0042 -0.0035 1272 VAL 89 HG21 -0.0059 0.0078 -0.0002 1273 VAL 89 HG22 -0.0067 0.0046 0.0005 1274 VAL 89 HG23 -0.0068 0.0051 0.0006 1275 PHE 90 N -0.0019 -0.0021 -0.0089 1276 PHE 90 CA -0.0019 -0.0022 -0.0093 1277 PHE 90 C -0.0029 -0.0015 -0.0093 1278 PHE 90 O -0.0033 -0.0010 -0.0086 1279 PHE 90 CB -0.0013 -0.0025 -0.0087 1280 PHE 90 CG -0.0003 -0.0030 -0.0085 1281 PHE 90 CD1 -0.0001 -0.0029 -0.0077 1282 PHE 90 CD2 0.0003 -0.0036 -0.0091 1283 PHE 90 CE1 0.0008 -0.0035 -0.0075 1284 PHE 90 CE2 0.0011 -0.0042 -0.0090 1285 PHE 90 CZ 0.0014 -0.0041 -0.0081 1286 PHE 90 H -0.0021 -0.0018 -0.0083 1287 PHE 90 HA -0.0019 -0.0025 -0.0100 1288 PHE 90 HB2 -0.0014 -0.0021 -0.0081 1289 PHE 90 HB3 -0.0012 -0.0026 -0.0091 1290 PHE 90 HD1 -0.0004 -0.0025 -0.0072 1291 PHE 90 HD2 0.0001 -0.0037 -0.0097 1292 PHE 90 HE1 0.0010 -0.0034 -0.0069 1293 PHE 90 HE2 0.0015 -0.0046 -0.0094 1294 PHE 90 HZ 0.0019 -0.0044 -0.0080 1295 ASP 91 N 0.0006 -0.0089 -0.0156 1296 ASP 91 CA 0.0007 -0.0081 -0.0163 1297 ASP 91 C 0.0003 -0.0076 -0.0171 1298 ASP 91 O 0.0001 -0.0079 -0.0171 1299 ASP 91 CB 0.0003 -0.0083 -0.0165 1300 ASP 91 CG -0.0006 -0.0089 -0.0172 1301 ASP 91 OD1 -0.0011 -0.0089 -0.0176 1302 ASP 91 OD2 -0.0010 -0.0092 -0.0172 1303 ASP 91 H 0.0002 -0.0095 -0.0156 1304 ASP 91 HA 0.0013 -0.0076 -0.0160 1305 ASP 91 HB2 0.0005 -0.0077 -0.0169 1306 ASP 91 HB3 0.0005 -0.0087 -0.0160 1307 VAL 92 N -0.0022 -0.0106 -0.0096 1308 VAL 92 CA -0.0029 -0.0065 -0.0067 1309 VAL 92 C -0.0038 -0.0054 -0.0057 1310 VAL 92 O -0.0036 -0.0020 -0.0034 1311 VAL 92 CB -0.0067 -0.0056 -0.0054 1312 VAL 92 CG1 -0.0114 -0.0071 -0.0057 1313 VAL 92 CG2 -0.0067 -0.0014 -0.0025 1314 VAL 92 H -0.0044 -0.0119 -0.0102 1315 VAL 92 HA -0.0002 -0.0050 -0.0060 1316 VAL 92 HB -0.0061 -0.0069 -0.0064 1317 VAL 92 HG11 -0.0137 -0.0070 -0.0053 1318 VAL 92 HG12 -0.0113 -0.0098 -0.0076 1319 VAL 92 HG13 -0.0122 -0.0056 -0.0046 1320 VAL 92 HG21 -0.0091 -0.0009 -0.0018 1321 VAL 92 HG22 -0.0072 -0.0000 -0.0015 1322 VAL 92 HG23 -0.0037 -0.0005 -0.0023 1323 ASN 93 N -0.0109 -0.0138 -0.0087 1324 ASN 93 CA -0.0117 -0.0084 -0.0044 1325 ASN 93 C -0.0030 -0.0044 -0.0087 1326 ASN 93 O -0.0031 -0.0008 -0.0061 1327 ASN 93 CB -0.0192 -0.0149 -0.0029 1328 ASN 93 CG -0.0285 -0.0179 0.0024 1329 ASN 93 OD1 -0.0307 -0.0121 0.0080 1330 ASN 93 ND2 -0.0339 -0.0269 0.0006 1331 ASN 93 H -0.0118 -0.0197 -0.0120 1332 ASN 93 HA -0.0134 -0.0030 0.0005 1333 ASN 93 HB2 -0.0179 -0.0207 -0.0078 1334 ASN 93 HB3 -0.0194 -0.0116 -0.0005 1335 ASN 93 HD21 -0.0321 -0.0308 -0.0034 1336 ASN 93 HD22 -0.0393 -0.0289 0.0035 1337 GLY 94 N -0.0041 -0.0067 -0.0091 1338 GLY 94 CA -0.0043 -0.0052 -0.0100 1339 GLY 94 C -0.0044 -0.0044 -0.0101 1340 GLY 94 O -0.0045 -0.0031 -0.0108 1341 GLY 94 H -0.0042 -0.0076 -0.0097 1342 GLY 94 HA2 -0.0045 -0.0054 -0.0111 1343 GLY 94 HA3 -0.0042 -0.0045 -0.0095 1344 LYS 95 N -0.0102 -0.0036 -0.0318 1345 LYS 95 CA -0.0135 0.0011 -0.0202 1346 LYS 95 C -0.0163 0.0036 -0.0135 1347 LYS 95 O -0.0095 0.0041 -0.0146 1348 LYS 95 CB -0.0033 0.0048 -0.0150 1349 LYS 95 CG -0.0063 0.0096 -0.0031 1350 LYS 95 CD 0.0050 0.0140 0.0030 1351 LYS 95 CE 0.0021 0.0191 0.0155 1352 LYS 95 NZ -0.0107 0.0189 0.0194 1353 LYS 95 H -0.0026 -0.0032 -0.0335 1354 LYS 95 HA -0.0206 0.0002 -0.0198 1355 LYS 95 HB2 -0.0014 0.0031 -0.0195 1356 LYS 95 HB3 0.0037 0.0059 -0.0150 1357 LYS 95 HG2 -0.0105 0.0108 0.0010 1358 LYS 95 HG3 -0.0114 0.0088 -0.0032 1359 LYS 95 HD2 0.0087 0.0131 -0.0003 1360 LYS 95 HD3 0.0107 0.0145 0.0024 1361 LYS 95 HE2 0.0035 0.0199 0.0169 1362 LYS 95 HE3 0.0072 0.0217 0.0199 1363 LYS 95 HZ1 -0.0124 0.0182 0.0183 1364 LYS 95 HZ2 -0.0119 0.0219 0.0266 1365 LYS 95 HZ3 -0.0158 0.0165 0.0156 1366 THR 96 N -0.0082 0.0064 -0.0092 1367 THR 96 CA -0.0064 0.0057 -0.0077 1368 THR 96 C -0.0071 0.0054 -0.0085 1369 THR 96 O -0.0084 0.0039 -0.0101 1370 THR 96 CB -0.0050 0.0029 -0.0072 1371 THR 96 OG1 -0.0048 0.0027 -0.0070 1372 THR 96 CG2 -0.0029 0.0026 -0.0053 1373 THR 96 H -0.0083 0.0051 -0.0097 1374 THR 96 HA -0.0056 0.0071 -0.0064 1375 THR 96 HB -0.0057 0.0013 -0.0083 1376 THR 96 HG1 -0.0040 0.0011 -0.0068 1377 THR 96 HG21 -0.0019 0.0013 -0.0047 1378 THR 96 HG22 -0.0030 0.0019 -0.0056 1379 THR 96 HG23 -0.0025 0.0044 -0.0044 1380 ILE 97 N -0.0023 0.0055 -0.0090 1381 ILE 97 CA -0.0006 0.0071 -0.0071 1382 ILE 97 C -0.0025 0.0083 -0.0060 1383 ILE 97 O -0.0015 0.0100 -0.0041 1384 ILE 97 CB 0.0024 0.0062 -0.0079 1385 ILE 97 CG1 0.0019 0.0046 -0.0096 1386 ILE 97 CG2 0.0044 0.0053 -0.0088 1387 ILE 97 CD1 0.0049 0.0038 -0.0103 1388 ILE 97 H -0.0030 0.0046 -0.0100 1389 ILE 97 HA -0.0001 0.0081 -0.0060 1390 ILE 97 HB 0.0035 0.0074 -0.0066 1391 ILE 97 HG12 0.0009 0.0035 -0.0110 1392 ILE 97 HG13 0.0006 0.0053 -0.0090 1393 ILE 97 HG21 0.0064 0.0049 -0.0090 1394 ILE 97 HG22 0.0044 0.0062 -0.0078 1395 ILE 97 HG23 0.0034 0.0040 -0.0102 1396 ILE 97 HD11 0.0044 0.0030 -0.0113 1397 ILE 97 HD12 0.0060 0.0050 -0.0090 1398 ILE 97 HD13 0.0061 0.0030 -0.0112 1399 SER 98 N -0.0022 0.0072 -0.0144 1400 SER 98 C 0.0019 0.0056 -0.0122 1401 SER 98 O 0.0040 0.0040 -0.0064 1402 SER 98 CA -0.0028 0.0077 -0.0166 1403 SER 98 CB -0.0103 0.0099 -0.0163 1404 SER 98 OG -0.0129 0.0094 -0.0093 1405 SER 98 H -0.0004 0.0059 -0.0103 1406 SER 98 HA -0.0011 0.0081 -0.0216 1407 SER 98 HB2 -0.0105 0.0104 -0.0189 1408 SER 98 HB3 -0.0132 0.0111 -0.0185 1409 SER 98 HG -0.0106 0.0084 -0.0074 1410 SER 98 CA -0.0031 0.0078 -0.0163 1411 SER 98 CB -0.0106 0.0097 -0.0147 1412 SER 98 OG -0.0119 0.0107 -0.0182 1413 SER 98 H -0.0002 0.0059 -0.0104 1414 SER 98 HA -0.0019 0.0083 -0.0214 1415 SER 98 HB2 -0.0137 0.0109 -0.0165 1416 SER 98 HB3 -0.0114 0.0091 -0.0096 1417 SER 98 HG -0.0087 0.0096 -0.0176 1418 GLY 99 N 0.0006 -0.0034 0.0000 1419 GLY 99 CA 0.0047 -0.0044 0.0025 1420 GLY 99 C 0.0080 -0.0069 0.0010 1421 GLY 99 O 0.0072 -0.0079 -0.0022 1422 GLY 99 H 0.0000 -0.0041 -0.0021 1423 GLY 99 HA2 0.0054 -0.0049 0.0024 1424 GLY 99 HA3 0.0047 -0.0031 0.0054 1425 PRO 100 N 0.0148 0.0078 0.0044 1426 PRO 100 CA 0.0152 0.0052 0.0038 1427 PRO 100 C 0.0160 0.0030 0.0020 1428 PRO 100 O 0.0164 0.0006 0.0016 1429 PRO 100 CB 0.0145 0.0040 0.0068 1430 PRO 100 CG 0.0140 0.0047 0.0084 1431 PRO 100 CD 0.0139 0.0078 0.0073 1432 PRO 100 HA 0.0154 0.0058 0.0029 1433 PRO 100 HB2 0.0148 0.0019 0.0067 1434 PRO 100 HB3 0.0142 0.0048 0.0076 1435 PRO 100 HG2 0.0143 0.0033 0.0080 1436 PRO 100 HG3 0.0134 0.0047 0.0104 1437 PRO 100 HD2 0.0139 0.0080 0.0073 1438 PRO 100 HD3 0.0134 0.0092 0.0084 1439 ALA 101 N 0.0203 -0.0094 -0.0015 1440 ALA 101 CA 0.0173 -0.0072 -0.0023 1441 ALA 101 C 0.0133 -0.0107 -0.0034 1442 ALA 101 O 0.0110 -0.0128 -0.0040 1443 ALA 101 CB 0.0153 -0.0023 -0.0029 1444 ALA 101 H 0.0204 -0.0077 -0.0015 1445 ALA 101 HA 0.0193 -0.0067 -0.0018 1446 ALA 101 HB1 0.0134 -0.0009 -0.0034 1447 ALA 101 HB2 0.0179 -0.0000 -0.0022 1448 ALA 101 HB3 0.0133 -0.0027 -0.0034 1449 PRO 102 N 0.0065 -0.0210 0.0009 1450 PRO 102 CA -0.0103 -0.0260 0.0138 1451 PRO 102 C -0.0300 -0.0198 0.0276 1452 PRO 102 O -0.0451 -0.0233 0.0390 1453 PRO 102 CB -0.0077 -0.0095 0.0100 1454 PRO 102 CG 0.0011 0.0117 0.0011 1455 PRO 102 CD 0.0155 0.0012 -0.0082 1456 PRO 102 HA -0.0094 -0.0427 0.0151 1457 PRO 102 HB2 -0.0202 -0.0050 0.0186 1458 PRO 102 HB3 0.0011 -0.0175 0.0045 1459 PRO 102 HG2 -0.0090 0.0220 0.0073 1460 PRO 102 HG3 0.0077 0.0208 -0.0048 1461 PRO 102 HD2 0.0167 0.0120 -0.0104 1462 PRO 102 HD3 0.0282 -0.0026 -0.0171 1463 ARG 103 N -0.0109 -0.0026 0.0038 1464 ARG 103 CA -0.0127 -0.0036 0.0128 1465 ARG 103 C -0.0104 -0.0110 0.0091 1466 ARG 103 O -0.0076 -0.0137 -0.0005 1467 ARG 103 CB -0.0157 0.0076 0.0158 1468 ARG 103 CG -0.0149 0.0147 0.0061 1469 ARG 103 CD -0.0173 0.0228 0.0096 1470 ARG 103 NE -0.0170 0.0169 0.0135 1471 ARG 103 CZ -0.0194 0.0212 0.0198 1472 ARG 103 NH1 -0.0222 0.0316 0.0228 1473 ARG 103 NH2 -0.0188 0.0150 0.0227 1474 ARG 103 H -0.0091 -0.0044 -0.0024 1475 ARG 103 HA -0.0136 -0.0070 0.0193 1476 ARG 103 HB2 -0.0167 0.0065 0.0209 1477 ARG 103 HB3 -0.0173 0.0117 0.0193 1478 ARG 103 HG2 -0.0150 0.0189 0.0028 1479 ARG 103 HG3 -0.0127 0.0100 0.0007 1480 ARG 103 HD2 -0.0196 0.0270 0.0156 1481 ARG 103 HD3 -0.0169 0.0277 0.0034 1482 ARG 103 HE -0.0152 0.0103 0.0115 1483 ARG 103 HH11 -0.0225 0.0357 0.0207 1484 ARG 103 HH12 -0.0236 0.0342 0.0270 1485 ARG 103 HH21 -0.0170 0.0083 0.0206 1486 ARG 103 HH22 -0.0203 0.0176 0.0268 1487 GLY 104 N -0.0068 -0.0037 -0.0011 1488 GLY 104 CA -0.0055 -0.0018 -0.0022 1489 GLY 104 C -0.0050 0.0023 -0.0038 1490 GLY 104 O -0.0055 0.0037 -0.0042 1491 GLY 104 H -0.0092 -0.0039 -0.0004 1492 GLY 104 HA2 -0.0031 -0.0031 -0.0024 1493 GLY 104 HA3 -0.0073 -0.0020 -0.0016 1494 MET 105 N 0.0002 -0.0019 -0.0058 1495 MET 105 CA 0.0008 -0.0004 -0.0050 1496 MET 105 C 0.0008 0.0009 -0.0037 1497 MET 105 O -0.0003 0.0007 -0.0031 1498 MET 105 CB -0.0001 -0.0007 -0.0045 1499 MET 105 CG 0.0003 -0.0018 -0.0058 1500 MET 105 SD -0.0010 -0.0026 -0.0054 1501 MET 105 CE -0.0008 -0.0008 -0.0040 1502 MET 105 H -0.0007 -0.0027 -0.0057 1503 MET 105 HA 0.0020 -0.0001 -0.0057 1504 MET 105 HB2 -0.0013 -0.0012 -0.0039 1505 MET 105 HB3 0.0002 0.0003 -0.0038 1506 MET 105 HG2 0.0014 -0.0011 -0.0062 1507 MET 105 HG3 0.0003 -0.0027 -0.0066 1508 MET 105 HE1 -0.0014 -0.0010 -0.0037 1509 MET 105 HE2 -0.0011 -0.0002 -0.0031 1510 MET 105 HE3 0.0004 -0.0002 -0.0044 1511 TYR 106 N 0.0039 -0.0006 0.0034 1512 TYR 106 CA 0.0026 0.0022 0.0049 1513 TYR 106 C 0.0027 0.0011 0.0062 1514 TYR 106 O 0.0036 -0.0004 0.0043 1515 TYR 106 CB 0.0023 0.0052 0.0021 1516 TYR 106 CG 0.0022 0.0065 0.0005 1517 TYR 106 CD1 0.0012 0.0085 0.0024 1518 TYR 106 CD2 0.0031 0.0059 -0.0030 1519 TYR 106 CE1 0.0011 0.0098 0.0010 1520 TYR 106 CE2 0.0030 0.0072 -0.0045 1521 TYR 106 CZ 0.0020 0.0091 -0.0025 1522 TYR 106 OH 0.0019 0.0104 -0.0040 1523 TYR 106 H 0.0043 -0.0006 0.0011 1524 TYR 106 HA 0.0020 0.0031 0.0069 1525 TYR 106 HB2 0.0030 0.0043 0.0002 1526 TYR 106 HB3 0.0015 0.0071 0.0031 1527 TYR 106 HD1 0.0006 0.0090 0.0047 1528 TYR 106 HD2 0.0038 0.0046 -0.0044 1529 TYR 106 HE1 0.0004 0.0110 0.0023 1530 TYR 106 HE2 0.0036 0.0068 -0.0068 1531 TYR 106 HH 0.0017 0.0100 -0.0026 1532 SER 107 N 0.0018 0.0042 0.0091 1533 SER 107 CA 0.0014 0.0047 0.0090 1534 SER 107 C 0.0010 0.0051 0.0088 1535 SER 107 O 0.0005 0.0049 0.0088 1536 SER 107 CB 0.0010 0.0043 0.0091 1537 SER 107 OG 0.0005 0.0039 0.0091 1538 SER 107 H 0.0015 0.0039 0.0092 1539 SER 107 HA 0.0018 0.0049 0.0089 1540 SER 107 HB2 0.0009 0.0046 0.0089 1541 SER 107 HB3 0.0014 0.0040 0.0092 1542 SER 107 HG 0.0002 0.0042 0.0090 1543 SER 107 N 0.0018 0.0042 0.0091 1544 SER 107 CA 0.0014 0.0046 0.0090 1545 SER 107 C 0.0010 0.0051 0.0088 1546 SER 107 O 0.0007 0.0050 0.0088 1547 SER 107 CB 0.0009 0.0042 0.0091 1548 SER 107 OG 0.0005 0.0046 0.0089 1549 SER 107 H 0.0015 0.0039 0.0092 1550 SER 107 HA 0.0017 0.0049 0.0089 1551 SER 107 HB2 0.0011 0.0039 0.0092 1552 SER 107 HB3 0.0005 0.0040 0.0091 1553 SER 107 HG 0.0003 0.0049 0.0088 1554 TYR 108 N 0.0074 -0.0004 0.0075 1555 TYR 108 CA 0.0062 0.0008 0.0066 1556 TYR 108 C 0.0059 0.0007 0.0076 1557 TYR 108 O 0.0071 -0.0004 0.0080 1558 TYR 108 CB 0.0070 0.0011 0.0045 1559 TYR 108 CG 0.0070 0.0016 0.0031 1560 TYR 108 CD1 0.0079 0.0009 0.0032 1561 TYR 108 CD2 0.0060 0.0029 0.0017 1562 TYR 108 CE1 0.0079 0.0014 0.0019 1563 TYR 108 CE2 0.0060 0.0035 0.0005 1564 TYR 108 CZ 0.0069 0.0027 0.0006 1565 TYR 108 OH 0.0068 0.0032 -0.0007 1566 TYR 108 H 0.0084 -0.0010 0.0071 1567 TYR 108 HA 0.0052 0.0016 0.0068 1568 TYR 108 HB2 0.0082 0.0002 0.0043 1569 TYR 108 HB3 0.0064 0.0017 0.0040 1570 TYR 108 HD1 0.0086 -0.0000 0.0040 1571 TYR 108 HD2 0.0054 0.0034 0.0016 1572 TYR 108 HE1 0.0085 0.0009 0.0020 1573 TYR 108 HE2 0.0053 0.0044 -0.0004 1574 TYR 108 HH 0.0068 0.0037 -0.0018 1575 ARG 109 N 0.0074 -0.0183 0.0201 1576 ARG 109 CA 0.0012 -0.0151 0.0160 1577 ARG 109 C 0.0081 -0.0079 0.0053 1578 ARG 109 O 0.0098 -0.0030 -0.0019 1579 ARG 109 CB -0.0135 -0.0133 0.0149 1580 ARG 109 CG -0.0210 -0.0096 0.0103 1581 ARG 109 CD -0.0354 -0.0083 0.0098 1582 ARG 109 NE -0.0431 -0.0052 0.0061 1583 ARG 109 CZ -0.0524 0.0005 -0.0011 1584 ARG 109 NH1 -0.0553 0.0039 -0.0056 1585 ARG 109 NH2 -0.0589 0.0029 -0.0039 1586 ARG 109 H 0.0021 -0.0186 0.0210 1587 ARG 109 HA 0.0020 -0.0185 0.0209 1588 ARG 109 HB2 -0.0174 -0.0180 0.0219 1589 ARG 109 HB3 -0.0144 -0.0099 0.0101 1590 ARG 109 HG2 -0.0176 -0.0046 0.0030 1591 ARG 109 HG3 -0.0202 -0.0128 0.0148 1592 ARG 109 HD2 -0.0387 -0.0131 0.0169 1593 ARG 109 HD3 -0.0364 -0.0047 0.0048 1594 ARG 109 HE -0.0416 -0.0072 0.0088 1595 ARG 109 HH11 -0.0512 0.0024 -0.0038 1596 ARG 109 HH12 -0.0613 0.0076 -0.0103 1597 ARG 109 HH21 -0.0570 0.0007 -0.0010 1598 ARG 109 HH22 -0.0649 0.0066 -0.0086 1599 THR 110 N 0.0141 -0.0049 0.0018 1600 THR 110 CA 0.0152 -0.0049 0.0005 1601 THR 110 C 0.0163 -0.0050 -0.0011 1602 THR 110 O 0.0169 -0.0046 -0.0008 1603 THR 110 CB 0.0165 -0.0039 0.0014 1604 THR 110 OG1 0.0155 -0.0037 0.0030 1605 THR 110 CG2 0.0175 -0.0040 0.0001 1606 THR 110 H 0.0148 -0.0044 0.0021 1607 THR 110 HA 0.0143 -0.0056 -0.0001 1608 THR 110 HB 0.0174 -0.0033 0.0018 1609 THR 110 HG1 0.0162 -0.0032 0.0036 1610 THR 110 HG21 0.0181 -0.0034 0.0008 1611 THR 110 HG22 0.0183 -0.0040 -0.0008 1612 THR 110 HG23 0.0166 -0.0047 -0.0005 1613 THR 110 N 0.0141 -0.0049 0.0019 1614 THR 110 CA 0.0152 -0.0049 0.0005 1615 THR 110 C 0.0163 -0.0050 -0.0011 1616 THR 110 O 0.0169 -0.0046 -0.0008 1617 THR 110 CB 0.0165 -0.0039 0.0014 1618 THR 110 OG1 0.0178 -0.0030 0.0021 1619 THR 110 CG2 0.0155 -0.0037 0.0031 1620 THR 110 H 0.0148 -0.0044 0.0022 1621 THR 110 HA 0.0143 -0.0055 -0.0000 1622 THR 110 HB 0.0172 -0.0040 0.0005 1623 THR 110 HG1 0.0184 -0.0024 0.0028 1624 THR 110 HG21 0.0161 -0.0030 0.0042 1625 THR 110 HG22 0.0155 -0.0039 0.0027 1626 THR 110 HG23 0.0143 -0.0042 0.0034 1627 LYS 111 N 0.0151 -0.0026 -0.0046 1628 LYS 111 CA 0.0155 -0.0006 -0.0097 1629 LYS 111 C 0.0181 0.0030 -0.0111 1630 LYS 111 O 0.0190 0.0033 -0.0089 1631 LYS 111 CB 0.0122 -0.0034 -0.0137 1632 LYS 111 CG 0.0109 -0.0046 -0.0148 1633 LYS 111 CD 0.0076 -0.0073 -0.0189 1634 LYS 111 CE 0.0062 -0.0087 -0.0199 1635 LYS 111 NZ 0.0031 -0.0112 -0.0241 1636 LYS 111 H 0.0153 -0.0026 -0.0039 1637 LYS 111 HA 0.0163 0.0003 -0.0097 1638 LYS 111 HB2 0.0125 -0.0020 -0.0169 1639 LYS 111 HB3 0.0105 -0.0058 -0.0126 1640 LYS 111 HG2 0.0104 -0.0061 -0.0117 1641 LYS 111 HG3 0.0126 -0.0022 -0.0160 1642 LYS 111 HD2 0.0081 -0.0058 -0.0220 1643 LYS 111 HD3 0.0059 -0.0097 -0.0178 1644 LYS 111 HE2 0.0056 -0.0104 -0.0168 1645 LYS 111 HE3 0.0079 -0.0064 -0.0208 1646 LYS 111 HZ1 0.0018 -0.0128 -0.0240 1647 LYS 111 HZ2 0.0020 -0.0126 -0.0238 1648 LYS 111 HZ3 0.0037 -0.0095 -0.0271 1649 VAL 112 N 0.0136 0.0023 -0.0021 1650 VAL 112 CA 0.0111 0.0048 0.0024 1651 VAL 112 C 0.0124 0.0038 0.0030 1652 VAL 112 O 0.0121 0.0037 -0.0011 1653 VAL 112 CB 0.0062 0.0087 0.0010 1654 VAL 112 CG1 0.0038 0.0111 0.0057 1655 VAL 112 CG2 0.0050 0.0096 -0.0001 1656 VAL 112 H 0.0129 0.0026 -0.0053 1657 VAL 112 HA 0.0118 0.0046 0.0058 1658 VAL 112 HB 0.0054 0.0090 -0.0024 1659 VAL 112 HG11 0.0007 0.0136 0.0048 1660 VAL 112 HG12 0.0045 0.0106 0.0062 1661 VAL 112 HG13 0.0046 0.0108 0.0091 1662 VAL 112 HG21 0.0018 0.0121 -0.0007 1663 VAL 112 HG22 0.0059 0.0091 0.0031 1664 VAL 112 HG23 0.0063 0.0081 -0.0034 1665 GLU 113 N 0.0044 0.0087 0.0097 1666 GLU 113 CA 0.0050 0.0044 0.0035 1667 GLU 113 C 0.0051 0.0075 0.0049 1668 GLU 113 O 0.0039 0.0067 0.0118 1669 GLU 113 CB 0.0040 -0.0053 0.0045 1670 GLU 113 CG 0.0044 -0.0097 -0.0011 1671 GLU 113 CD 0.0034 -0.0192 0.0000 1672 GLU 113 OE1 0.0030 -0.0231 -0.0003 1673 GLU 113 OE2 0.0028 -0.0226 0.0013 1674 GLU 113 H 0.0036 0.0086 0.0147 1675 GLU 113 HA 0.0061 0.0057 -0.0021 1676 GLU 113 HB2 0.0040 -0.0074 0.0030 1677 GLU 113 HB3 0.0029 -0.0067 0.0103 1678 GLU 113 HG2 0.0045 -0.0074 0.0001 1679 GLU 113 HG3 0.0055 -0.0087 -0.0070 1680 ASN 114 N 0.0112 0.0042 0.0516 1681 ASN 114 CA 0.0363 -0.0163 0.0067 1682 ASN 114 C 0.0573 -0.0266 -0.0041 1683 ASN 114 O 0.0543 -0.0363 -0.0460 1684 ASN 114 CB 0.0045 -0.0160 -0.0364 1685 ASN 114 CG -0.0144 -0.0065 -0.0258 1686 ASN 114 OD1 0.0090 -0.0077 0.0022 1687 ASN 114 ND2 -0.0565 0.0027 -0.0486 1688 ASN 114 H 0.0198 0.0065 0.0723 1689 ASN 114 HA 0.0634 -0.0247 0.0118 1690 ASN 114 HB2 -0.0227 -0.0081 -0.0434 1691 ASN 114 HB3 0.0228 -0.0299 -0.0650 1692 ASN 114 HD21 -0.0689 0.0083 -0.0439 1693 ASN 114 HD22 -0.0714 0.0030 -0.0681 1694 ASN 115 N 0.0090 0.0198 0.0283 1695 ASN 115 CA 0.0041 0.0186 0.0255 1696 ASN 115 C 0.0035 0.0200 0.0225 1697 ASN 115 O -0.0006 0.0188 0.0204 1698 ASN 115 CB 0.0005 0.0149 0.0288 1699 ASN 115 CG -0.0045 0.0136 0.0261 1700 ASN 115 OD1 -0.0052 0.0149 0.0229 1701 ASN 115 ND2 -0.0081 0.0110 0.0272 1702 ASN 115 H 0.0103 0.0212 0.0271 1703 ASN 115 HA 0.0033 0.0194 0.0233 1704 ASN 115 HB2 0.0015 0.0140 0.0314 1705 ASN 115 HB3 0.0004 0.0141 0.0301 1706 ASN 115 HD21 -0.0074 0.0102 0.0294 1707 ASN 115 HD22 -0.0110 0.0102 0.0258 1708 ASN 115 N 0.0090 0.0198 0.0283 1709 ASN 115 CA 0.0041 0.0187 0.0255 1710 ASN 115 C 0.0035 0.0200 0.0224 1711 ASN 115 O -0.0006 0.0189 0.0202 1712 ASN 115 CB 0.0004 0.0149 0.0286 1713 ASN 115 CG -0.0002 0.0134 0.0308 1714 ASN 115 OD1 0.0004 0.0149 0.0288 1715 ASN 115 ND2 -0.0013 0.0104 0.0351 1716 ASN 115 H 0.0103 0.0212 0.0271 1717 ASN 115 HA 0.0033 0.0195 0.0232 1718 ASN 115 HB2 0.0014 0.0141 0.0312 1719 ASN 115 HB3 -0.0027 0.0143 0.0267 1720 ASN 115 HD21 -0.0018 0.0095 0.0364 1721 ASN 115 HD22 -0.0017 0.0095 0.0365 1722 THR 116 N -0.0002 0.0113 0.0148 1723 THR 116 CA -0.0001 0.0114 0.0145 1724 THR 116 C 0.0008 0.0124 0.0120 1725 THR 116 O 0.0026 0.0127 0.0110 1726 THR 116 CB 0.0017 0.0104 0.0163 1727 THR 116 OG1 0.0006 0.0094 0.0186 1728 THR 116 CG2 0.0021 0.0106 0.0158 1729 THR 116 H 0.0013 0.0110 0.0150 1730 THR 116 HA -0.0018 0.0114 0.0148 1731 THR 116 HB 0.0034 0.0103 0.0161 1732 THR 116 HG1 0.0016 0.0089 0.0196 1733 THR 116 HG21 0.0029 0.0099 0.0172 1734 THR 116 HG22 0.0033 0.0111 0.0145 1735 THR 116 HG23 0.0005 0.0109 0.0155 1736 VAL 117 N 0.0078 0.0080 0.0068 1737 VAL 117 CA 0.0091 0.0055 0.0043 1738 VAL 117 C 0.0126 0.0044 0.0050 1739 VAL 117 O 0.0147 0.0051 0.0071 1740 VAL 117 CB 0.0089 0.0051 0.0037 1741 VAL 117 CG1 0.0102 0.0025 0.0012 1742 VAL 117 CG2 0.0054 0.0063 0.0032 1743 VAL 117 H 0.0079 0.0089 0.0079 1744 VAL 117 HA 0.0077 0.0048 0.0027 1745 VAL 117 HB 0.0103 0.0057 0.0053 1746 VAL 117 HG11 0.0098 0.0023 0.0007 1747 VAL 117 HG12 0.0126 0.0018 0.0017 1748 VAL 117 HG13 0.0092 0.0018 -0.0004 1749 VAL 117 HG21 0.0053 0.0059 0.0027 1750 VAL 117 HG22 0.0040 0.0058 0.0017 1751 VAL 117 HG23 0.0047 0.0080 0.0050 1752 PHE 118 N 0.0107 -0.0025 -0.0044 1753 PHE 118 CA 0.0120 -0.0012 -0.0048 1754 PHE 118 C 0.0123 -0.0009 -0.0062 1755 PHE 118 O 0.0119 -0.0014 -0.0061 1756 PHE 118 CB 0.0126 -0.0002 -0.0032 1757 PHE 118 CG 0.0125 -0.0001 -0.0018 1758 PHE 118 CD1 0.0133 0.0008 -0.0019 1759 PHE 118 CD2 0.0116 -0.0009 -0.0005 1760 PHE 118 CE1 0.0132 0.0009 -0.0006 1761 PHE 118 CE2 0.0116 -0.0008 0.0008 1762 PHE 118 CZ 0.0123 0.0001 0.0007 1763 PHE 118 H 0.0105 -0.0028 -0.0040 1764 PHE 118 HA 0.0122 -0.0010 -0.0051 1765 PHE 118 HB2 0.0122 -0.0005 -0.0027 1766 PHE 118 HB3 0.0134 0.0007 -0.0036 1767 PHE 118 HD1 0.0138 0.0013 -0.0027 1768 PHE 118 HD2 0.0111 -0.0015 -0.0004 1769 PHE 118 HE1 0.0137 0.0015 -0.0006 1770 PHE 118 HE2 0.0110 -0.0014 0.0017 1771 PHE 118 HZ 0.0123 0.0001 0.0016 1772 VAL 119 N 0.0132 -0.0002 -0.0079 1773 VAL 119 CA 0.0123 -0.0010 -0.0051 1774 VAL 119 C 0.0090 -0.0004 -0.0052 1775 VAL 119 O 0.0081 0.0006 -0.0075 1776 VAL 119 CB 0.0144 -0.0017 -0.0044 1777 VAL 119 CG1 0.0176 -0.0024 -0.0040 1778 VAL 119 CG2 0.0145 -0.0009 -0.0066 1779 VAL 119 H 0.0132 0.0003 -0.0094 1780 VAL 119 HA 0.0123 -0.0016 -0.0036 1781 VAL 119 HB 0.0136 -0.0022 -0.0025 1782 VAL 119 HG11 0.0189 -0.0028 -0.0037 1783 VAL 119 HG12 0.0175 -0.0030 -0.0024 1784 VAL 119 HG13 0.0183 -0.0019 -0.0058 1785 VAL 119 HG21 0.0160 -0.0013 -0.0062 1786 VAL 119 HG22 0.0150 -0.0003 -0.0085 1787 VAL 119 HG23 0.0125 -0.0005 -0.0067 1788 ASP 120 N 0.0028 0.0046 -0.0108 1789 ASP 120 CA -0.0023 0.0055 -0.0104 1790 ASP 120 C -0.0011 0.0034 -0.0082 1791 ASP 120 O -0.0014 0.0002 -0.0040 1792 ASP 120 CB -0.0072 0.0044 -0.0075 1793 ASP 120 CG -0.0125 0.0050 -0.0066 1794 ASP 120 OD1 -0.0126 0.0065 -0.0086 1795 ASP 120 OD2 -0.0165 0.0039 -0.0040 1796 ASP 120 H 0.0032 0.0025 -0.0083 1797 ASP 120 HA -0.0033 0.0081 -0.0134 1798 ASP 120 HB2 -0.0081 0.0058 -0.0091 1799 ASP 120 HB3 -0.0061 0.0018 -0.0046 1800 TYR 121 N 0.0013 0.0075 -0.0083 1801 TYR 121 CA -0.0002 0.0081 -0.0067 1802 TYR 121 C -0.0016 0.0081 -0.0058 1803 TYR 121 O -0.0028 0.0087 -0.0043 1804 TYR 121 CB -0.0014 0.0073 -0.0071 1805 TYR 121 CG -0.0028 0.0059 -0.0083 1806 TYR 121 CD1 -0.0022 0.0048 -0.0102 1807 TYR 121 CD2 -0.0049 0.0056 -0.0076 1808 TYR 121 CE1 -0.0035 0.0036 -0.0113 1809 TYR 121 CE2 -0.0062 0.0043 -0.0087 1810 TYR 121 CZ -0.0056 0.0033 -0.0106 1811 TYR 121 OH -0.0070 0.0020 -0.0116 1812 TYR 121 H 0.0011 0.0067 -0.0093 1813 TYR 121 HA 0.0006 0.0090 -0.0058 1814 TYR 121 HB2 -0.0022 0.0078 -0.0060 1815 TYR 121 HB3 -0.0004 0.0072 -0.0077 1816 TYR 121 HD1 -0.0009 0.0050 -0.0107 1817 TYR 121 HD2 -0.0053 0.0063 -0.0064 1818 TYR 121 HE1 -0.0031 0.0029 -0.0126 1819 TYR 121 HE2 -0.0076 0.0042 -0.0082 1820 TYR 121 HH -0.0081 0.0020 -0.0110 1821 ALA 122 N -0.0107 0.0125 -0.0149 1822 ALA 122 CA -0.0132 0.0171 -0.0122 1823 ALA 122 C -0.0100 0.0199 -0.0070 1824 ALA 122 O -0.0116 0.0238 -0.0043 1825 ALA 122 CB -0.0142 0.0167 -0.0133 1826 ALA 122 H -0.0085 0.0104 -0.0152 1827 ALA 122 HA -0.0165 0.0188 -0.0131 1828 ALA 122 HB1 -0.0163 0.0198 -0.0119 1829 ALA 122 HB2 -0.0160 0.0148 -0.0166 1830 ALA 122 HB3 -0.0109 0.0154 -0.0121 1831 ALA 123 N -0.0112 0.0012 -0.0032 1832 ALA 123 CA -0.0124 -0.0018 0.0004 1833 ALA 123 C -0.0065 -0.0037 0.0034 1834 ALA 123 O -0.0038 -0.0032 0.0031 1835 ALA 123 CB -0.0148 -0.0001 -0.0021 1836 ALA 123 H -0.0079 0.0027 -0.0046 1837 ALA 123 HA -0.0154 -0.0039 0.0025 1838 ALA 123 HB1 -0.0176 -0.0020 -0.0001 1839 ALA 123 HB2 -0.0169 0.0022 -0.0051 1840 ALA 123 HB3 -0.0114 0.0007 -0.0027 1841 ILE 124 N -0.0044 0.0034 0.0089 1842 ILE 124 CA -0.0015 0.0016 0.0100 1843 ILE 124 C -0.0025 -0.0010 0.0125 1844 ILE 124 O -0.0045 -0.0016 0.0133 1845 ILE 124 CB 0.0012 0.0020 0.0092 1846 ILE 124 CG1 0.0023 0.0047 0.0066 1847 ILE 124 CG2 0.0042 0.0000 0.0104 1848 ILE 124 CD1 0.0038 0.0057 0.0054 1849 ILE 124 H -0.0050 0.0037 0.0088 1850 ILE 124 HA -0.0005 0.0018 0.0096 1851 ILE 124 HB 0.0003 0.0019 0.0094 1852 ILE 124 HG12 0.0039 0.0047 0.0064 1853 ILE 124 HG13 0.0003 0.0058 0.0059 1854 ILE 124 HG21 0.0060 0.0006 0.0096 1855 ILE 124 HG22 0.0036 -0.0015 0.0119 1856 ILE 124 HG23 0.0047 -0.0002 0.0105 1857 ILE 124 HD11 0.0044 0.0074 0.0038 1858 ILE 124 HD12 0.0022 0.0058 0.0057 1859 ILE 124 HD13 0.0058 0.0046 0.0061 1860 THR 125 N 0.0141 0.0068 0.0225 1861 THR 125 CA 0.0072 -0.0139 0.0001 1862 THR 125 C 0.0135 -0.0290 -0.0173 1863 THR 125 O 0.0070 -0.0262 -0.0136 1864 THR 125 CB -0.0266 -0.0169 -0.0001 1865 THR 125 OG1 -0.0323 -0.0054 0.0133 1866 THR 125 CG2 -0.0357 -0.0392 -0.0240 1867 THR 125 OXT 0.0252 -0.0447 -0.0360 1868 THR 125 H 0.0021 0.0105 0.0278 1869 THR 125 HA 0.0196 -0.0168 -0.0043 1870 THR 125 HB -0.0387 -0.0124 0.0061 1871 THR 125 HG1 -0.0211 0.0055 0.0244 1872 THR 125 HG21 -0.0539 -0.0404 -0.0238 1873 THR 125 HG22 -0.0399 -0.0462 -0.0315 1874 THR 125 HG23 -0.0195 -0.0455 -0.0327