1 ALA 8 N 0.0236 0.0005 -0.0121 2 ALA 8 CA 0.0093 -0.0172 -0.0201 3 ALA 8 C -0.0014 -0.0304 -0.0259 4 ALA 8 O -0.0101 -0.0470 -0.0354 5 ALA 8 CB -0.0087 -0.0140 -0.0099 6 ALA 8 HA 0.0188 -0.0242 -0.0296 7 ALA 8 HB1 -0.0183 -0.0261 -0.0154 8 ALA 8 HB2 -0.0013 -0.0078 -0.0081 9 ALA 8 HB3 -0.0174 -0.0061 0.0000 10 ASP 9 N 0.0044 -0.0052 -0.0147 11 ASP 9 CA 0.0029 -0.0077 -0.0153 12 ASP 9 C 0.0059 -0.0031 -0.0144 13 ASP 9 O 0.0041 0.0002 -0.0098 14 ASP 9 CB -0.0031 -0.0106 -0.0117 15 ASP 9 CG -0.0046 -0.0144 -0.0134 16 ASP 9 OD1 -0.0017 -0.0166 -0.0182 17 ASP 9 OD2 -0.0086 -0.0151 -0.0100 18 ASP 9 H 0.0054 -0.0016 -0.0126 19 ASP 9 HA 0.0042 -0.0106 -0.0190 20 ASP 9 HB2 -0.0049 -0.0130 -0.0119 21 ASP 9 HB3 -0.0042 -0.0077 -0.0080 22 PHE 10 N -0.0003 0.0081 -0.0056 23 PHE 10 CA 0.0012 0.0050 -0.0060 24 PHE 10 C 0.0019 0.0045 -0.0092 25 PHE 10 O 0.0014 0.0060 -0.0103 26 PHE 10 CB 0.0014 0.0037 -0.0033 27 PHE 10 CG 0.0013 0.0028 -0.0002 28 PHE 10 CD1 0.0023 0.0003 0.0001 29 PHE 10 CD2 0.0001 0.0045 0.0025 30 PHE 10 CE1 0.0023 -0.0005 0.0030 31 PHE 10 CE2 0.0001 0.0036 0.0054 32 PHE 10 CZ 0.0011 0.0011 0.0057 33 PHE 10 H -0.0008 0.0089 -0.0046 34 PHE 10 HA 0.0016 0.0039 -0.0059 35 PHE 10 HB2 0.0006 0.0052 -0.0029 36 PHE 10 HB3 0.0023 0.0019 -0.0041 37 PHE 10 HD1 0.0031 -0.0008 -0.0016 38 PHE 10 HD2 -0.0006 0.0062 0.0023 39 PHE 10 HE1 0.0030 -0.0023 0.0032 40 PHE 10 HE2 -0.0007 0.0048 0.0072 41 PHE 10 HZ 0.0011 0.0005 0.0076 42 ILE 11 N 0.0022 0.0007 -0.0063 43 ILE 11 CA 0.0034 0.0015 -0.0068 44 ILE 11 C 0.0050 0.0022 -0.0071 45 ILE 11 O 0.0057 0.0019 -0.0060 46 ILE 11 CB 0.0040 0.0009 -0.0055 47 ILE 11 CG1 0.0025 0.0001 -0.0052 48 ILE 11 CG2 0.0055 0.0018 -0.0060 49 ILE 11 CD1 0.0016 0.0006 -0.0066 50 ILE 11 H 0.0026 0.0003 -0.0055 51 ILE 11 HA 0.0029 0.0019 -0.0078 52 ILE 11 HB 0.0045 0.0005 -0.0045 53 ILE 11 HG12 0.0016 -0.0004 -0.0049 54 ILE 11 HG13 0.0029 -0.0002 -0.0043 55 ILE 11 HG21 0.0056 0.0015 -0.0054 56 ILE 11 HG22 0.0066 0.0021 -0.0058 57 ILE 11 HG23 0.0051 0.0024 -0.0071 58 ILE 11 HD11 0.0007 0.0001 -0.0063 59 ILE 11 HD12 0.0025 0.0012 -0.0070 60 ILE 11 HD13 0.0011 0.0010 -0.0075 61 GLY 12 N 0.0036 0.0041 -0.0089 62 GLY 12 CA 0.0052 0.0016 -0.0089 63 GLY 12 C 0.0092 -0.0006 -0.0115 64 GLY 12 O 0.0111 0.0014 -0.0143 65 GLY 12 H 0.0031 0.0069 -0.0098 66 GLY 12 HA2 0.0040 -0.0007 -0.0068 67 GLY 12 HA3 0.0048 0.0034 -0.0096 68 ILE 13 N 0.0061 0.0075 -0.0067 69 ILE 13 CA 0.0081 0.0070 -0.0064 70 ILE 13 C 0.0075 0.0085 -0.0062 71 ILE 13 O 0.0088 0.0081 -0.0060 72 ILE 13 CB 0.0086 0.0042 -0.0070 73 ILE 13 CG1 0.0062 0.0030 -0.0078 74 ILE 13 CG2 0.0097 0.0030 -0.0070 75 ILE 13 CD1 0.0068 0.0004 -0.0083 76 ILE 13 H 0.0047 0.0072 -0.0072 77 ILE 13 HA 0.0096 0.0077 -0.0059 78 ILE 13 HB 0.0098 0.0040 -0.0067 79 ILE 13 HG12 0.0051 0.0029 -0.0081 80 ILE 13 HG13 0.0054 0.0041 -0.0077 81 ILE 13 HG21 0.0101 0.0012 -0.0073 82 ILE 13 HG22 0.0111 0.0038 -0.0065 83 ILE 13 HG23 0.0084 0.0031 -0.0073 84 ILE 13 HD11 0.0053 -0.0002 -0.0088 85 ILE 13 HD12 0.0080 0.0005 -0.0080 86 ILE 13 HD13 0.0074 -0.0007 -0.0084 87 GLY 14 N 0.0064 0.0028 0.0006 88 GLY 14 CA 0.0046 0.0033 0.0013 89 GLY 14 C 0.0008 0.0031 0.0019 90 GLY 14 O -0.0004 0.0023 0.0018 91 GLY 14 H 0.0056 0.0036 0.0012 92 GLY 14 HA2 0.0053 0.0052 0.0023 93 GLY 14 HA3 0.0050 0.0018 0.0003 94 LYS 15 N 0.0000 0.0004 0.0073 95 LYS 15 CA 0.0021 0.0018 0.0044 96 LYS 15 C 0.0037 0.0044 0.0063 97 LYS 15 O 0.0041 0.0060 0.0095 98 LYS 15 CB 0.0040 0.0031 0.0022 99 LYS 15 CG 0.0028 0.0008 -0.0004 100 LYS 15 CD 0.0047 0.0023 -0.0024 101 LYS 15 CE 0.0074 0.0048 -0.0044 102 LYS 15 NZ 0.0092 0.0063 -0.0063 103 LYS 15 H 0.0004 0.0010 0.0080 104 LYS 15 HA 0.0014 0.0003 0.0027 105 LYS 15 HB2 0.0045 0.0044 0.0039 106 LYS 15 HB3 0.0055 0.0044 0.0005 107 LYS 15 HG2 0.0024 -0.0004 -0.0023 108 LYS 15 HG3 0.0012 -0.0005 0.0012 109 LYS 15 HD2 0.0040 0.0008 -0.0043 110 LYS 15 HD3 0.0049 0.0033 -0.0005 111 LYS 15 HE2 0.0081 0.0064 -0.0025 112 LYS 15 HE3 0.0073 0.0039 -0.0063 113 LYS 15 HZ1 0.0093 0.0070 -0.0046 114 LYS 15 HZ2 0.0108 0.0078 -0.0072 115 LYS 15 HZ3 0.0087 0.0049 -0.0081 116 LEU 16 N -0.0003 0.0051 0.0020 117 LEU 16 CA -0.0002 0.0051 0.0021 118 LEU 16 C 0.0011 0.0074 0.0031 119 LEU 16 O 0.0018 0.0072 0.0045 120 LEU 16 CB -0.0016 0.0050 -0.0003 121 LEU 16 CG -0.0016 0.0051 -0.0005 122 LEU 16 CD1 -0.0018 0.0027 0.0006 123 LEU 16 CD2 -0.0029 0.0057 -0.0031 124 LEU 16 H -0.0011 0.0050 0.0006 125 LEU 16 HA -0.0001 0.0035 0.0031 126 LEU 16 HB2 -0.0023 0.0034 -0.0009 127 LEU 16 HB3 -0.0017 0.0064 -0.0014 128 LEU 16 HG -0.0008 0.0065 0.0003 129 LEU 16 HD11 -0.0018 0.0028 0.0004 130 LEU 16 HD12 -0.0010 0.0023 0.0022 131 LEU 16 HD13 -0.0026 0.0013 -0.0003 132 LEU 16 HD21 -0.0029 0.0059 -0.0032 133 LEU 16 HD22 -0.0038 0.0042 -0.0039 134 LEU 16 HD23 -0.0029 0.0072 -0.0038 135 ASP 17 N 0.0061 0.0096 0.0008 136 ASP 17 CA 0.0058 0.0147 0.0027 137 ASP 17 C 0.0085 0.0150 0.0083 138 ASP 17 O 0.0086 0.0189 0.0103 139 ASP 17 CB 0.0040 0.0196 0.0012 140 ASP 17 CG 0.0042 0.0191 0.0014 141 ASP 17 OD1 0.0039 0.0152 -0.0009 142 ASP 17 OD2 0.0045 0.0228 0.0037 143 ASP 17 H 0.0057 0.0099 0.0003 144 ASP 17 HA 0.0050 0.0148 0.0011 145 ASP 17 HB2 0.0044 0.0227 0.0035 146 ASP 17 HB3 0.0022 0.0201 -0.0021 147 ASP 18 N -0.0031 0.0089 0.0059 148 ASP 18 CA -0.0010 0.0086 0.0051 149 ASP 18 C -0.0012 0.0065 0.0005 150 ASP 18 O -0.0001 0.0061 -0.0005 151 ASP 18 CB 0.0041 0.0094 0.0063 152 ASP 18 CG 0.0049 0.0116 0.0110 153 ASP 18 OD1 0.0017 0.0127 0.0136 154 ASP 18 OD2 0.0089 0.0123 0.0121 155 ASP 18 H -0.0012 0.0093 0.0066 156 ASP 18 HA -0.0027 0.0094 0.0068 157 ASP 18 HB2 0.0057 0.0088 0.0048 158 ASP 18 HB3 0.0055 0.0091 0.0056 159 PHE 19 N 0.0010 -0.0018 -0.0028 160 PHE 19 CA 0.0008 -0.0008 -0.0034 161 PHE 19 C 0.0010 -0.0022 -0.0028 162 PHE 19 O 0.0018 -0.0028 -0.0011 163 PHE 19 CB 0.0014 0.0015 -0.0026 164 PHE 19 CG 0.0011 0.0030 -0.0033 165 PHE 19 CD1 0.0002 0.0040 -0.0051 166 PHE 19 CD2 0.0016 0.0033 -0.0023 167 PHE 19 CE1 -0.0001 0.0053 -0.0058 168 PHE 19 CE2 0.0013 0.0047 -0.0030 169 PHE 19 CZ 0.0005 0.0057 -0.0048 170 PHE 19 H 0.0016 -0.0019 -0.0016 171 PHE 19 HA 0.0001 -0.0006 -0.0048 172 PHE 19 HB2 0.0021 0.0013 -0.0012 173 PHE 19 HB3 0.0012 0.0021 -0.0029 174 PHE 19 HD1 -0.0002 0.0038 -0.0058 175 PHE 19 HD2 0.0022 0.0026 -0.0011 176 PHE 19 HE1 -0.0007 0.0060 -0.0070 177 PHE 19 HE2 0.0017 0.0049 -0.0023 178 PHE 19 HZ 0.0003 0.0065 -0.0053 179 PRO 20 N 0.0011 -0.0093 -0.0163 180 PRO 20 CA 0.0077 -0.0132 -0.0119 181 PRO 20 C 0.0116 -0.0040 -0.0039 182 PRO 20 O 0.0070 0.0059 -0.0037 183 PRO 20 CB 0.0024 -0.0170 -0.0187 184 PRO 20 CG -0.0058 -0.0185 -0.0271 185 PRO 20 CD -0.0079 -0.0097 -0.0251 186 PRO 20 HA 0.0126 -0.0197 -0.0103 187 PRO 20 HB2 0.0007 -0.0113 -0.0177 188 PRO 20 HB3 0.0060 -0.0241 -0.0186 189 PRO 20 HG2 -0.0107 -0.0173 -0.0313 190 PRO 20 HG3 -0.0044 -0.0261 -0.0294 191 PRO 20 HD2 -0.0115 -0.0025 -0.0252 192 PRO 20 HD3 -0.0110 -0.0121 -0.0292 193 VAL 21 N 0.0262 0.0061 0.0039 194 VAL 21 CA 0.0274 0.0095 0.0152 195 VAL 21 C 0.0273 0.0119 0.0224 196 VAL 21 O 0.0335 0.0096 0.0212 197 VAL 21 CB 0.0379 0.0070 0.0176 198 VAL 21 CG1 0.0406 0.0102 0.0296 199 VAL 21 CG2 0.0366 0.0056 0.0120 200 VAL 21 H 0.0315 0.0032 0.0003 201 VAL 21 HA 0.0213 0.0119 0.0168 202 VAL 21 HB 0.0440 0.0042 0.0148 203 VAL 21 HG11 0.0457 0.0091 0.0310 204 VAL 21 HG12 0.0439 0.0102 0.0325 205 VAL 21 HG13 0.0340 0.0134 0.0330 206 VAL 21 HG21 0.0432 0.0040 0.0135 207 VAL 21 HG22 0.0304 0.0084 0.0146 208 VAL 21 HG23 0.0352 0.0034 0.0042 209 GLY 22 N 0.0133 0.0043 0.0100 210 GLY 22 CA 0.0099 0.0098 0.0078 211 GLY 22 C 0.0025 0.0103 0.0028 212 GLY 22 O -0.0008 0.0147 0.0006 213 GLY 22 H 0.0152 0.0065 0.0113 214 GLY 22 HA2 0.0116 0.0151 0.0090 215 GLY 22 HA3 0.0107 0.0083 0.0083 216 ILE 23 N -0.0064 0.0191 -0.0092 217 ILE 23 CA -0.0125 0.0185 -0.0091 218 ILE 23 C -0.0149 0.0169 -0.0093 219 ILE 23 O -0.0140 0.0122 -0.0101 220 ILE 23 CB -0.0140 0.0140 -0.0098 221 ILE 23 CG1 -0.0115 0.0158 -0.0096 222 ILE 23 CG2 -0.0203 0.0131 -0.0098 223 ILE 23 CD1 -0.0137 0.0126 -0.0100 224 ILE 23 H -0.0047 0.0161 -0.0096 225 ILE 23 HA -0.0142 0.0220 -0.0086 226 ILE 23 HB -0.0124 0.0105 -0.0104 227 ILE 23 HG12 -0.0124 0.0197 -0.0090 228 ILE 23 HG13 -0.0075 0.0153 -0.0097 229 ILE 23 HG21 -0.0212 0.0104 -0.0102 230 ILE 23 HG22 -0.0216 0.0118 -0.0100 231 ILE 23 HG23 -0.0222 0.0166 -0.0093 232 ILE 23 HD11 -0.0113 0.0134 -0.0100 233 ILE 23 HD12 -0.0135 0.0086 -0.0107 234 ILE 23 HD13 -0.0175 0.0136 -0.0098 235 PRO 24 N -0.0104 0.0083 -0.0102 236 PRO 24 CA -0.0126 0.0089 -0.0108 237 PRO 24 C -0.0122 0.0096 -0.0131 238 PRO 24 O -0.0103 0.0094 -0.0135 239 PRO 24 CB -0.0132 0.0082 -0.0087 240 PRO 24 CG -0.0120 0.0074 -0.0067 241 PRO 24 CD -0.0097 0.0074 -0.0078 242 PRO 24 HA -0.0140 0.0091 -0.0110 243 PRO 24 HB2 -0.0124 0.0082 -0.0090 244 PRO 24 HB3 -0.0149 0.0084 -0.0084 245 PRO 24 HG2 -0.0117 0.0069 -0.0055 246 PRO 24 HG3 -0.0131 0.0073 -0.0061 247 PRO 24 HD2 -0.0083 0.0073 -0.0078 248 PRO 24 HD3 -0.0092 0.0071 -0.0069 249 LYS 25 N -0.0138 0.0159 -0.0240 250 LYS 25 CA -0.0176 0.0105 -0.0218 251 LYS 25 C -0.0128 0.0149 -0.0227 252 LYS 25 O -0.0042 0.0186 -0.0208 253 LYS 25 CB -0.0158 0.0020 -0.0138 254 LYS 25 CG -0.0218 -0.0039 -0.0125 255 LYS 25 CD -0.0325 -0.0061 -0.0166 256 LYS 25 CE -0.0389 -0.0095 -0.0175 257 LYS 25 NZ -0.0453 -0.0182 -0.0140 258 LYS 25 H -0.0077 0.0176 -0.0220 259 LYS 25 HA -0.0244 0.0096 -0.0248 260 LYS 25 HB2 -0.0092 0.0029 -0.0109 261 LYS 25 HB3 -0.0172 -0.0009 -0.0123 262 LYS 25 HG2 -0.0207 -0.0011 -0.0141 263 LYS 25 HG3 -0.0202 -0.0091 -0.0073 264 LYS 25 HD2 -0.0341 -0.0104 -0.0140 265 LYS 25 HD3 -0.0338 -0.0010 -0.0215 266 LYS 25 HE2 -0.0428 -0.0058 -0.0226 267 LYS 25 HE3 -0.0350 -0.0095 -0.0152 268 LYS 25 HZ1 -0.0489 -0.0200 -0.0146 269 LYS 25 HZ2 -0.0419 -0.0217 -0.0092 270 LYS 25 HZ3 -0.0491 -0.0184 -0.0160 271 LYS 26 N 0.0002 0.0095 -0.0137 272 LYS 26 CA 0.0035 0.0088 -0.0135 273 LYS 26 C 0.0045 0.0106 -0.0106 274 LYS 26 O 0.0040 0.0122 -0.0086 275 LYS 26 CB 0.0055 0.0079 -0.0140 276 LYS 26 CG 0.0089 0.0068 -0.0144 277 LYS 26 CD 0.0101 0.0054 -0.0160 278 LYS 26 CE 0.0091 0.0062 -0.0152 279 LYS 26 NZ 0.0118 0.0052 -0.0157 280 LYS 26 H -0.0001 0.0100 -0.0130 281 LYS 26 HA 0.0039 0.0078 -0.0147 282 LYS 26 HB2 0.0044 0.0070 -0.0157 283 LYS 26 HB3 0.0055 0.0090 -0.0125 284 LYS 26 HG2 0.0102 0.0078 -0.0126 285 LYS 26 HG3 0.0091 0.0061 -0.0154 286 LYS 26 HD2 0.0125 0.0049 -0.0158 287 LYS 26 HD3 0.0092 0.0042 -0.0179 288 LYS 26 HE2 0.0071 0.0059 -0.0163 289 LYS 26 HE3 0.0089 0.0076 -0.0133 290 LYS 26 HZ1 0.0127 0.0040 -0.0170 291 LYS 26 HZ2 0.0109 0.0052 -0.0160 292 LYS 26 HZ3 0.0132 0.0059 -0.0142 293 VAL 27 N 0.0136 0.0069 -0.0070 294 VAL 27 CA 0.0157 0.0102 -0.0027 295 VAL 27 C 0.0215 0.0076 -0.0027 296 VAL 27 O 0.0229 0.0035 -0.0065 297 VAL 27 CB 0.0106 0.0128 -0.0022 298 VAL 27 CG1 0.0049 0.0156 -0.0019 299 VAL 27 CG2 0.0090 0.0095 -0.0063 300 VAL 27 H 0.0138 0.0044 -0.0096 301 VAL 27 HA 0.0169 0.0123 0.0001 302 VAL 27 HB 0.0121 0.0150 0.0008 303 VAL 27 HG11 0.0019 0.0174 -0.0013 304 VAL 27 HG12 0.0060 0.0176 0.0007 305 VAL 27 HG13 0.0031 0.0134 -0.0049 306 VAL 27 HG21 0.0054 0.0112 -0.0062 307 VAL 27 HG22 0.0083 0.0070 -0.0093 308 VAL 27 HG23 0.0124 0.0084 -0.0060 309 ALA 28 N 0.0444 0.0250 0.0074 310 ALA 28 CA 0.0494 0.0127 0.0094 311 ALA 28 C 0.0262 0.0075 -0.0031 312 ALA 28 O 0.0083 0.0222 -0.0118 313 ALA 28 CB 0.0638 0.0320 0.0180 314 ALA 28 H 0.0473 0.0419 0.0099 315 ALA 28 HA 0.0582 -0.0043 0.0130 316 ALA 28 HB1 0.0670 0.0238 0.0193 317 ALA 28 HB2 0.0787 0.0355 0.0261 318 ALA 28 HB3 0.0546 0.0487 0.0141 319 VAL 29 N 0.0163 -0.0013 -0.0024 320 VAL 29 CA 0.0135 -0.0025 -0.0046 321 VAL 29 C 0.0126 -0.0038 -0.0045 322 VAL 29 O 0.0127 -0.0059 -0.0022 323 VAL 29 CB 0.0121 -0.0049 -0.0040 324 VAL 29 CG1 0.0092 -0.0061 -0.0065 325 VAL 29 CG2 0.0132 -0.0038 -0.0037 326 VAL 29 H 0.0167 -0.0025 -0.0006 327 VAL 29 HA 0.0132 -0.0010 -0.0065 328 VAL 29 HB 0.0123 -0.0066 -0.0022 329 VAL 29 HG11 0.0083 -0.0073 -0.0063 330 VAL 29 HG12 0.0084 -0.0071 -0.0064 331 VAL 29 HG13 0.0090 -0.0044 -0.0083 332 VAL 29 HG21 0.0122 -0.0053 -0.0035 333 VAL 29 HG22 0.0132 -0.0021 -0.0055 334 VAL 29 HG23 0.0150 -0.0033 -0.0020 335 THR 30 N 0.0073 -0.0093 0.0012 336 THR 30 CA -0.0127 -0.0041 -0.0198 337 THR 30 C -0.0007 0.0090 -0.0010 338 THR 30 O 0.0184 -0.0136 0.0123 339 THR 30 CB -0.0201 -0.0423 -0.0431 340 THR 30 OG1 0.0042 -0.0732 -0.0270 341 THR 30 CG2 -0.0352 -0.0525 -0.0643 342 THR 30 H 0.0232 -0.0238 0.0138 343 THR 30 HA -0.0290 0.0162 -0.0307 344 THR 30 HB -0.0319 -0.0395 -0.0556 345 THR 30 HG1 0.0115 -0.0700 -0.0174 346 THR 30 HG21 -0.0420 -0.0746 -0.0807 347 THR 30 HG22 -0.0504 -0.0306 -0.0734 348 THR 30 HG23 -0.0228 -0.0589 -0.0526 349 SER 31 N -0.0044 -0.0041 0.0110 350 SER 31 CA -0.0052 -0.0054 0.0096 351 SER 31 C -0.0036 -0.0039 0.0119 352 SER 31 O -0.0011 -0.0038 0.0147 353 SER 31 CB -0.0045 -0.0099 0.0086 354 SER 31 OG -0.0051 -0.0112 0.0074 355 SER 31 H -0.0031 -0.0058 0.0117 356 SER 31 HA -0.0073 -0.0043 0.0078 357 SER 31 HB2 -0.0057 -0.0108 0.0069 358 SER 31 HB3 -0.0025 -0.0110 0.0103 359 SER 31 HG -0.0047 -0.0136 0.0068 360 SER 32 N 0.0318 0.0309 0.0489 361 SER 32 CA 0.0314 0.0228 0.0536 362 SER 32 C 0.0225 -0.0395 0.0741 363 SER 32 O 0.0271 -0.0496 0.0941 364 SER 32 CB 0.0152 0.0399 -0.0036 365 SER 32 OG -0.0081 0.0119 -0.0478 366 SER 32 H 0.0205 0.0351 0.0148 367 SER 32 HA 0.0478 0.0480 0.0808 368 SER 32 HB2 0.0130 0.0287 -0.0016 369 SER 32 HB3 0.0231 0.0816 -0.0119 370 SER 32 HG -0.0162 0.0239 -0.0790 371 LYS 33 N -0.0225 -0.0394 0.0622 372 LYS 33 CA -0.0085 -0.0507 0.0619 373 LYS 33 C -0.0093 -0.0527 0.0718 374 LYS 33 O -0.0192 -0.0446 0.0717 375 LYS 33 CB -0.0015 -0.0513 0.0429 376 LYS 33 CG 0.0032 -0.0525 0.0334 377 LYS 33 CD 0.0054 -0.0490 0.0136 378 LYS 33 CE 0.0124 -0.0523 0.0045 379 LYS 33 NZ 0.0089 -0.0447 -0.0134 380 LYS 33 H -0.0255 -0.0344 0.0524 381 LYS 33 HA -0.0027 -0.0569 0.0675 382 LYS 33 HB2 -0.0081 -0.0443 0.0366 383 LYS 33 HB3 0.0068 -0.0580 0.0428 384 LYS 33 HG2 0.0120 -0.0605 0.0367 385 LYS 33 HG3 -0.0040 -0.0476 0.0367 386 LYS 33 HD2 -0.0037 -0.0407 0.0098 387 LYS 33 HD3 0.0113 -0.0529 0.0101 388 LYS 33 HE2 0.0225 -0.0602 0.0034 389 LYS 33 HE3 0.0092 -0.0516 0.0114 390 LYS 33 HZ1 0.0130 -0.0468 -0.0182 391 LYS 33 HZ2 -0.0004 -0.0373 -0.0128 392 LYS 33 HZ3 0.0118 -0.0453 -0.0201 393 MET 34 N -0.0167 0.0005 0.0300 394 MET 34 CA 0.0029 0.0034 0.0201 395 MET 34 C 0.0035 0.0000 0.0207 396 MET 34 O 0.0182 0.0054 0.0124 397 MET 34 CB 0.0089 0.0260 0.0118 398 MET 34 CG 0.0128 0.0296 0.0091 399 MET 34 SD 0.0386 0.0215 -0.0011 400 MET 34 CE 0.0380 -0.0071 0.0061 401 MET 34 H -0.0264 0.0096 0.0324 402 MET 34 HA 0.0128 -0.0074 0.0181 403 MET 34 HB2 -0.0019 0.0368 0.0143 404 MET 34 HB3 0.0213 0.0282 0.0055 405 MET 34 HG2 0.0040 0.0212 0.0153 406 MET 34 HG3 0.0098 0.0450 0.0068 407 MET 34 HE1 0.0491 -0.0124 0.0021 408 MET 34 HE2 0.0392 -0.0144 0.0073 409 MET 34 HE3 0.0252 -0.0097 0.0127 410 ASP 35 N -0.0141 -0.0131 0.0028 411 ASP 35 CA -0.0159 -0.0144 0.0048 412 ASP 35 C -0.0134 -0.0163 0.0071 413 ASP 35 O -0.0107 -0.0170 0.0078 414 ASP 35 CB -0.0193 -0.0151 0.0061 415 ASP 35 CG -0.0185 -0.0165 0.0079 416 ASP 35 OD1 -0.0176 -0.0156 0.0066 417 ASP 35 OD2 -0.0185 -0.0185 0.0106 418 ASP 35 H -0.0148 -0.0132 0.0030 419 ASP 35 HA -0.0166 -0.0135 0.0037 420 ASP 35 HB2 -0.0205 -0.0160 0.0074 421 ASP 35 HB3 -0.0208 -0.0139 0.0046 422 ALA 36 N -0.0384 -0.0004 -0.0198 423 ALA 36 CA -0.0270 -0.0044 0.0018 424 ALA 36 C -0.0231 -0.0017 0.0049 425 ALA 36 O -0.0090 0.0079 0.0161 426 ALA 36 CB -0.0339 -0.0257 0.0140 427 ALA 36 H -0.0469 -0.0102 -0.0222 428 ALA 36 HA -0.0169 0.0052 0.0070 429 ALA 36 HB1 -0.0264 -0.0284 0.0283 430 ALA 36 HB2 -0.0354 -0.0267 0.0126 431 ALA 36 HB3 -0.0442 -0.0353 0.0086 432 TRP 37 N -0.0315 -0.0015 -0.0027 433 TRP 37 CA -0.0279 -0.0008 0.0016 434 TRP 37 C -0.0187 0.0112 -0.0032 435 TRP 37 O -0.0102 0.0146 0.0043 436 TRP 37 CB -0.0381 -0.0070 -0.0040 437 TRP 37 CG -0.0349 -0.0067 0.0003 438 TRP 37 CD1 -0.0353 -0.0142 0.0115 439 TRP 37 CD2 -0.0309 0.0015 -0.0064 440 TRP 37 NE1 -0.0318 -0.0113 0.0122 441 TRP 37 CE2 -0.0291 -0.0017 0.0013 442 TRP 37 CE3 -0.0286 0.0113 -0.0183 443 TRP 37 CZ2 -0.0251 0.0045 -0.0023 444 TRP 37 CZ3 -0.0246 0.0174 -0.0219 445 TRP 37 CH2 -0.0230 0.0139 -0.0139 446 TRP 37 H -0.0387 -0.0053 -0.0076 447 TRP 37 HA -0.0251 -0.0043 0.0114 448 TRP 37 HB2 -0.0440 -0.0147 -0.0008 449 TRP 37 HB3 -0.0409 -0.0035 -0.0137 450 TRP 37 HD1 -0.0376 -0.0205 0.0178 451 TRP 37 HE1 -0.0314 -0.0150 0.0185 452 TRP 37 HE3 -0.0297 0.0136 -0.0236 453 TRP 37 HZ2 -0.0239 0.0022 0.0030 454 TRP 37 HZ3 -0.0231 0.0239 -0.0297 455 TRP 37 HH2 -0.0203 0.0181 -0.0165 456 ASN 38 N -0.0109 -0.0013 -0.0017 457 ASN 38 CA -0.0103 -0.0006 -0.0020 458 ASN 38 C -0.0114 -0.0002 -0.0010 459 ASN 38 O -0.0112 0.0011 -0.0008 460 ASN 38 CB -0.0094 -0.0018 -0.0032 461 ASN 38 CG -0.0079 -0.0013 -0.0044 462 ASN 38 OD1 -0.0072 0.0001 -0.0047 463 ASN 38 ND2 -0.0074 -0.0025 -0.0052 464 ASN 38 H -0.0108 -0.0024 -0.0020 465 ASN 38 HA -0.0097 0.0006 -0.0023 466 ASN 38 HB2 -0.0097 -0.0031 -0.0032 467 ASN 38 HB3 -0.0094 -0.0017 -0.0032 468 ASN 38 HD21 -0.0066 -0.0023 -0.0059 469 ASN 38 HD22 -0.0079 -0.0035 -0.0049 470 ILE 39 N 0.0044 0.0052 -0.0077 471 ILE 39 CA 0.0122 0.0083 -0.0050 472 ILE 39 C 0.0164 0.0041 0.0014 473 ILE 39 O 0.0224 0.0069 0.0032 474 ILE 39 CB 0.0132 0.0088 -0.0048 475 ILE 39 CG1 0.0095 0.0135 -0.0112 476 ILE 39 CG2 0.0215 0.0116 -0.0014 477 ILE 39 CD1 0.0089 0.0132 -0.0113 478 ILE 39 H 0.0014 0.0037 -0.0086 479 ILE 39 HA 0.0142 0.0130 -0.0075 480 ILE 39 HB 0.0108 0.0043 -0.0026 481 ILE 39 HG12 0.0123 0.0183 -0.0132 482 ILE 39 HG13 0.0045 0.0122 -0.0135 483 ILE 39 HG21 0.0222 0.0128 -0.0019 484 ILE 39 HG22 0.0235 0.0080 0.0029 485 ILE 39 HG23 0.0240 0.0157 -0.0031 486 ILE 39 HD11 0.0060 0.0159 -0.0155 487 ILE 39 HD12 0.0065 0.0084 -0.0090 488 ILE 39 HD13 0.0139 0.0150 -0.0094 489 PHE 40 N 0.0103 0.0282 0.0075 490 PHE 40 CA 0.0139 0.0182 0.0052 491 PHE 40 C 0.0054 0.0147 0.0025 492 PHE 40 O 0.0080 0.0123 0.0023 493 PHE 40 CB 0.0160 0.0098 0.0032 494 PHE 40 CG 0.0187 -0.0010 0.0005 495 PHE 40 CD1 0.0295 -0.0041 0.0017 496 PHE 40 CD2 0.0105 -0.0082 -0.0032 497 PHE 40 CE1 0.0321 -0.0142 -0.0008 498 PHE 40 CE2 0.0130 -0.0182 -0.0057 499 PHE 40 CZ 0.0240 -0.0211 -0.0044 500 PHE 40 H 0.0097 0.0275 0.0071 501 PHE 40 HA 0.0206 0.0192 0.0068 502 PHE 40 HB2 0.0221 0.0119 0.0050 503 PHE 40 HB3 0.0093 0.0096 0.0018 504 PHE 40 HD1 0.0351 0.0007 0.0042 505 PHE 40 HD2 0.0032 -0.0061 -0.0040 506 PHE 40 HE1 0.0394 -0.0163 0.0000 507 PHE 40 HE2 0.0075 -0.0230 -0.0082 508 PHE 40 HZ 0.0258 -0.0282 -0.0061 509 GLU 41 N 0.0058 0.0170 0.0030 510 GLU 41 CA 0.0076 0.0155 0.0053 511 GLU 41 C 0.0097 0.0132 0.0038 512 GLU 41 O 0.0114 0.0117 0.0049 513 GLU 41 CB 0.0072 0.0161 0.0077 514 GLU 41 CG 0.0079 0.0158 0.0109 515 GLU 41 CD 0.0065 0.0173 0.0119 516 GLU 41 OE1 0.0048 0.0188 0.0103 517 GLU 41 OE2 0.0071 0.0170 0.0143 518 GLU 41 H 0.0048 0.0180 0.0032 519 GLU 41 HA 0.0077 0.0155 0.0062 520 GLU 41 HB2 0.0057 0.0176 0.0075 521 GLU 41 HB3 0.0081 0.0152 0.0073 522 GLU 41 HG2 0.0077 0.0161 0.0123 523 GLU 41 HG3 0.0093 0.0144 0.0110 524 GLY 42 N 0.0028 0.0071 0.0009 525 GLY 42 CA 0.0030 -0.0006 -0.0009 526 GLY 42 C 0.0019 -0.0038 -0.0080 527 GLY 42 O 0.0022 -0.0107 -0.0087 528 GLY 42 H 0.0025 0.0105 0.0007 529 GLY 42 HA2 0.0041 -0.0039 0.0032 530 GLY 42 HA3 0.0029 -0.0006 -0.0015 531 LEU 43 N -0.0007 0.0007 0.0026 532 LEU 43 CA -0.0017 -0.0080 -0.0188 533 LEU 43 C -0.0074 -0.0202 -0.0350 534 LEU 43 O -0.0141 -0.0328 -0.0494 535 LEU 43 CB 0.0152 0.0064 -0.0310 536 LEU 43 CG 0.0218 0.0182 -0.0185 537 LEU 43 CD1 0.0400 0.0351 -0.0281 538 LEU 43 CD2 0.0130 0.0076 -0.0210 539 LEU 43 H 0.0090 0.0117 0.0029 540 LEU 43 HA -0.0094 -0.0154 -0.0153 541 LEU 43 HB2 0.0230 0.0143 -0.0331 542 LEU 43 HB3 0.0146 0.0004 -0.0458 543 LEU 43 HG 0.0198 0.0218 -0.0022 544 LEU 43 HD11 0.0439 0.0423 -0.0201 545 LEU 43 HD12 0.0454 0.0419 -0.0259 546 LEU 43 HD13 0.0422 0.0316 -0.0444 547 LEU 43 HD21 0.0175 0.0153 -0.0132 548 LEU 43 HD22 0.0149 0.0038 -0.0372 549 LEU 43 HD23 0.0014 -0.0029 -0.0140 550 VAL 44 N -0.0007 -0.0018 -0.0112 551 VAL 44 CA -0.0010 0.0044 -0.0133 552 VAL 44 C 0.0058 -0.0043 -0.0017 553 VAL 44 O 0.0025 -0.0094 -0.0050 554 VAL 44 CB 0.0021 0.0246 -0.0141 555 VAL 44 CG1 0.0122 0.0313 -0.0019 556 VAL 44 CG2 0.0035 0.0306 -0.0137 557 VAL 44 H 0.0050 0.0028 -0.0046 558 VAL 44 HA -0.0084 0.0011 -0.0225 559 VAL 44 HB -0.0035 0.0296 -0.0232 560 VAL 44 HG11 0.0164 0.0414 0.0013 561 VAL 44 HG12 0.0103 0.0347 -0.0054 562 VAL 44 HG13 0.0163 0.0220 0.0060 563 VAL 44 HG21 0.0034 0.0430 -0.0170 564 VAL 44 HG22 0.0104 0.0286 -0.0038 565 VAL 44 HG23 -0.0022 0.0239 -0.0199 566 VAL 44 N -0.0006 -0.0017 -0.0111 567 VAL 44 CA -0.0009 0.0052 -0.0133 568 VAL 44 C 0.0062 -0.0023 -0.0016 569 VAL 44 O 0.0035 -0.0039 -0.0049 570 VAL 44 CB 0.0017 0.0255 -0.0149 571 VAL 44 CG1 -0.0066 0.0332 -0.0283 572 VAL 44 CG2 0.0130 0.0327 -0.0012 573 VAL 44 H 0.0052 0.0025 -0.0043 574 VAL 44 HA -0.0082 0.0015 -0.0224 575 VAL 44 HB 0.0013 0.0292 -0.0164 576 VAL 44 HG11 -0.0093 0.0415 -0.0341 577 VAL 44 HG12 -0.0124 0.0238 -0.0338 578 VAL 44 HG13 -0.0032 0.0392 -0.0252 579 VAL 44 HG21 0.0135 0.0446 -0.0036 580 VAL 44 HG22 0.0146 0.0253 0.0029 581 VAL 44 HG23 0.0179 0.0326 0.0056 582 MET 45 N 0.0103 -0.0024 0.0067 583 MET 45 CA 0.0110 -0.0046 0.0099 584 MET 45 C 0.0110 -0.0080 0.0122 585 MET 45 O 0.0124 -0.0081 0.0159 586 MET 45 CB 0.0130 -0.0017 0.0130 587 MET 45 CG 0.0133 0.0018 0.0113 588 MET 45 SD 0.0127 0.0004 0.0108 589 MET 45 CE 0.0145 -0.0003 0.0160 590 MET 45 H 0.0110 -0.0010 0.0076 591 MET 45 HA 0.0101 -0.0059 0.0087 592 MET 45 HB2 0.0138 -0.0004 0.0141 593 MET 45 HB3 0.0134 -0.0034 0.0151 594 MET 45 HG2 0.0124 0.0028 0.0086 595 MET 45 HG3 0.0146 0.0040 0.0130 596 MET 45 HE1 0.0144 -0.0009 0.0160 597 MET 45 HE2 0.0157 0.0022 0.0172 598 MET 45 HE3 0.0145 -0.0026 0.0174 599 GLY 46 N 0.0140 -0.0337 0.0182 600 GLY 46 CA 0.0149 -0.0358 0.0164 601 GLY 46 C 0.0173 -0.0361 0.0162 602 GLY 46 O 0.0179 -0.0378 0.0147 603 GLY 46 H 0.0132 -0.0331 0.0186 604 GLY 46 HA2 0.0153 -0.0364 0.0159 605 GLY 46 HA3 0.0134 -0.0365 0.0158 606 SER 47 N 0.0196 -0.0056 -0.0013 607 SER 47 CA 0.0198 -0.0035 -0.0018 608 SER 47 C 0.0182 -0.0054 -0.0022 609 SER 47 O 0.0178 -0.0085 -0.0015 610 SER 47 CB 0.0232 -0.0023 -0.0001 611 SER 47 OG 0.0247 -0.0052 0.0017 612 SER 47 H 0.0193 -0.0077 -0.0008 613 SER 47 HA 0.0189 -0.0015 -0.0030 614 SER 47 HB2 0.0233 -0.0012 -0.0004 615 SER 47 HB3 0.0241 -0.0008 0.0000 616 SER 47 HG 0.0264 -0.0048 0.0026 617 VAL 48 N 0.0130 -0.0025 -0.0071 618 VAL 48 CA 0.0112 -0.0033 -0.0087 619 VAL 48 C 0.0103 -0.0019 -0.0086 620 VAL 48 O 0.0104 0.0001 -0.0076 621 VAL 48 CB 0.0095 -0.0033 -0.0098 622 VAL 48 CG1 0.0103 -0.0049 -0.0100 623 VAL 48 CG2 0.0087 -0.0008 -0.0093 624 VAL 48 H 0.0128 -0.0010 -0.0066 625 VAL 48 HA 0.0118 -0.0049 -0.0090 626 VAL 48 HB 0.0084 -0.0038 -0.0108 627 VAL 48 HG11 0.0092 -0.0049 -0.0108 628 VAL 48 HG12 0.0108 -0.0065 -0.0105 629 VAL 48 HG13 0.0115 -0.0045 -0.0090 630 VAL 48 HG21 0.0077 -0.0009 -0.0099 631 VAL 48 HG22 0.0099 -0.0002 -0.0082 632 VAL 48 HG23 0.0080 0.0002 -0.0093 633 TRP 49 N -0.0019 0.0009 -0.0092 634 TRP 49 CA -0.0023 0.0013 -0.0094 635 TRP 49 C -0.0031 0.0015 -0.0098 636 TRP 49 O -0.0034 0.0010 -0.0101 637 TRP 49 CB -0.0023 0.0007 -0.0095 638 TRP 49 CG -0.0016 0.0006 -0.0091 639 TRP 49 CD1 -0.0011 -0.0000 -0.0090 640 TRP 49 CD2 -0.0014 0.0012 -0.0088 641 TRP 49 NE1 -0.0005 0.0002 -0.0086 642 TRP 49 CE2 -0.0008 0.0009 -0.0085 643 TRP 49 CE3 -0.0018 0.0020 -0.0087 644 TRP 49 CZ2 -0.0004 0.0013 -0.0081 645 TRP 49 CZ3 -0.0014 0.0024 -0.0084 646 TRP 49 CH2 -0.0007 0.0021 -0.0081 647 TRP 49 H -0.0019 0.0004 -0.0094 648 TRP 49 HA -0.0022 0.0018 -0.0091 649 TRP 49 HB2 -0.0023 0.0002 -0.0097 650 TRP 49 HB3 -0.0027 0.0009 -0.0097 651 TRP 49 HD1 -0.0011 -0.0005 -0.0092 652 TRP 49 HE1 -0.0001 -0.0001 -0.0085 653 TRP 49 HE3 -0.0022 0.0022 -0.0089 654 TRP 49 HZ2 0.0000 0.0011 -0.0079 655 TRP 49 HZ3 -0.0016 0.0029 -0.0083 656 TRP 49 HH2 -0.0005 0.0023 -0.0078 657 VAL 50 N -0.0039 0.0035 -0.0099 658 VAL 50 CA -0.0039 0.0032 -0.0085 659 VAL 50 C -0.0056 0.0025 -0.0089 660 VAL 50 O -0.0069 0.0018 -0.0090 661 VAL 50 CB -0.0038 0.0029 -0.0065 662 VAL 50 CG1 -0.0038 0.0027 -0.0052 663 VAL 50 CG2 -0.0023 0.0036 -0.0061 664 VAL 50 H -0.0046 0.0031 -0.0097 665 VAL 50 HA -0.0030 0.0038 -0.0087 666 VAL 50 HB -0.0048 0.0024 -0.0064 667 VAL 50 HG11 -0.0035 0.0026 -0.0039 668 VAL 50 HG12 -0.0050 0.0021 -0.0052 669 VAL 50 HG13 -0.0030 0.0031 -0.0055 670 VAL 50 HG21 -0.0022 0.0034 -0.0049 671 VAL 50 HG22 -0.0013 0.0042 -0.0064 672 VAL 50 HG23 -0.0024 0.0037 -0.0070 673 ILE 51 N -0.0096 0.0022 -0.0008 674 ILE 51 CA -0.0088 0.0021 -0.0004 675 ILE 51 C -0.0074 0.0016 0.0002 676 ILE 51 O -0.0067 0.0024 0.0007 677 ILE 51 CB -0.0089 0.0035 -0.0001 678 ILE 51 CG1 -0.0103 0.0043 -0.0006 679 ILE 51 CG2 -0.0084 0.0033 0.0001 680 ILE 51 CD1 -0.0105 0.0056 -0.0004 681 ILE 51 H -0.0092 0.0027 -0.0005 682 ILE 51 HA -0.0092 0.0014 -0.0008 683 ILE 51 HB -0.0084 0.0042 0.0003 684 ILE 51 HG12 -0.0105 0.0046 -0.0007 685 ILE 51 HG13 -0.0109 0.0036 -0.0011 686 ILE 51 HG21 -0.0084 0.0042 0.0003 687 ILE 51 HG22 -0.0075 0.0028 0.0004 688 ILE 51 HG23 -0.0089 0.0026 -0.0004 689 ILE 51 HD11 -0.0114 0.0060 -0.0008 690 ILE 51 HD12 -0.0103 0.0053 -0.0004 691 ILE 51 HD13 -0.0099 0.0063 0.0000 692 ARG 52 N 0.0028 -0.0003 0.0099 693 ARG 52 CA 0.0020 0.0004 0.0082 694 ARG 52 C 0.0038 -0.0004 0.0104 695 ARG 52 O 0.0071 -0.0006 0.0120 696 ARG 52 CB 0.0037 0.0025 0.0046 697 ARG 52 CG 0.0032 0.0035 0.0023 698 ARG 52 CD 0.0057 0.0056 -0.0009 699 ARG 52 NE 0.0055 0.0067 -0.0032 700 ARG 52 CZ 0.0075 0.0085 -0.0061 701 ARG 52 NH1 0.0096 0.0093 -0.0071 702 ARG 52 NH2 0.0072 0.0094 -0.0080 703 ARG 52 H 0.0047 0.0004 0.0092 704 ARG 52 HA -0.0008 0.0001 0.0078 705 ARG 52 HB2 0.0026 0.0030 0.0032 706 ARG 52 HB3 0.0065 0.0028 0.0050 707 ARG 52 HG2 0.0041 0.0030 0.0037 708 ARG 52 HG3 0.0005 0.0035 0.0015 709 ARG 52 HD2 0.0047 0.0061 -0.0023 710 ARG 52 HD3 0.0084 0.0056 -0.0000 711 ARG 52 HE 0.0041 0.0062 -0.0026 712 ARG 52 HH11 0.0098 0.0088 -0.0059 713 ARG 52 HH12 0.0109 0.0105 -0.0090 714 ARG 52 HH21 0.0057 0.0088 -0.0074 715 ARG 52 HH22 0.0084 0.0105 -0.0099 716 GLN 53 N -0.0006 -0.0084 0.0094 717 GLN 53 CA 0.0018 -0.0096 0.0137 718 GLN 53 C 0.0053 -0.0103 0.0119 719 GLN 53 O 0.0049 -0.0097 0.0078 720 GLN 53 CB -0.0020 -0.0090 0.0174 721 GLN 53 CG -0.0063 -0.0079 0.0183 722 GLN 53 CD -0.0049 -0.0087 0.0211 723 GLN 53 OE1 -0.0023 -0.0098 0.0247 724 GLN 53 NE2 -0.0066 -0.0080 0.0195 725 GLN 53 H -0.0029 -0.0076 0.0085 726 GLN 53 HA 0.0037 -0.0103 0.0153 727 GLN 53 HB2 -0.0032 -0.0085 0.0162 728 GLN 53 HB3 -0.0005 -0.0098 0.0206 729 GLN 53 HG2 -0.0075 -0.0072 0.0151 730 GLN 53 HG3 -0.0088 -0.0074 0.0202 731 GLN 53 HE21 -0.0084 -0.0071 0.0170 732 GLN 53 HE22 -0.0059 -0.0084 0.0210 733 LYS 54 N 0.0588 -0.0078 0.0209 734 LYS 54 CA 0.0303 0.0076 0.0254 735 LYS 54 C 0.0257 0.0097 0.0255 736 LYS 54 O 0.0050 0.0238 0.0345 737 LYS 54 CB 0.0074 0.0059 0.0021 738 LYS 54 CG 0.0010 0.0106 0.0055 739 LYS 54 CD -0.0162 0.0045 -0.0215 740 LYS 54 CE -0.0066 -0.0019 -0.0254 741 LYS 54 NZ -0.0091 0.0118 -0.0012 742 LYS 54 H 0.0587 -0.0157 0.0056 743 LYS 54 HA 0.0282 0.0179 0.0436 744 LYS 54 HB2 0.0139 -0.0062 -0.0156 745 LYS 54 HB3 -0.0104 0.0138 0.0015 746 LYS 54 HG2 -0.0101 0.0233 0.0202 747 LYS 54 HG3 0.0190 0.0049 0.0104 748 LYS 54 HD2 -0.0131 -0.0051 -0.0374 749 LYS 54 HD3 -0.0364 0.0143 -0.0206 750 LYS 54 HE2 0.0134 -0.0121 -0.0275 751 LYS 54 HE3 -0.0185 -0.0051 -0.0422 752 LYS 54 HZ1 -0.0031 0.0075 -0.0042 753 LYS 54 HZ2 -0.0273 0.0212 0.0009 754 LYS 54 HZ3 0.0017 0.0150 0.0145 755 ASP 55 N -0.0600 -0.0042 -0.0050 756 ASP 55 CA -0.0358 -0.0054 0.0193 757 ASP 55 C -0.0004 -0.0078 0.0635 758 ASP 55 O 0.0268 -0.0088 0.0845 759 ASP 55 CB -0.0067 -0.0022 -0.0205 760 ASP 55 CG 0.0425 -0.0001 -0.0388 761 ASP 55 OD1 0.0472 -0.0003 -0.0339 762 ASP 55 OD2 0.0770 0.0018 -0.0581 763 ASP 55 H -0.0406 -0.0023 -0.0275 764 ASP 55 HA -0.0629 -0.0068 0.0334 765 ASP 55 HB2 0.0024 -0.0031 -0.0053 766 ASP 55 HB3 -0.0288 -0.0005 -0.0503 767 ASP 56 N -0.0040 -0.0008 0.0045 768 ASP 56 CA -0.0060 0.0012 0.0010 769 ASP 56 C -0.0138 -0.0076 0.0033 770 ASP 56 O -0.0167 -0.0066 -0.0002 771 ASP 56 CB -0.0090 0.0093 -0.0099 772 ASP 56 CG -0.0000 0.0189 -0.0122 773 ASP 56 OD1 0.0090 0.0197 -0.0053 774 ASP 56 OD2 -0.0020 0.0258 -0.0208 775 ASP 56 H 0.0020 -0.0007 0.0095 776 ASP 56 HA 0.0007 0.0033 0.0044 777 ASP 56 HB2 -0.0146 0.0082 -0.0134 778 ASP 56 HB3 -0.0115 0.0093 -0.0120 779 SER 57 N -0.0131 -0.0090 0.0041 780 SER 57 CA -0.0190 -0.0129 0.0074 781 SER 57 C -0.0128 -0.0137 0.0106 782 SER 57 O -0.0041 -0.0124 0.0118 783 SER 57 CB -0.0234 -0.0190 0.0143 784 SER 57 OG -0.0163 -0.0219 0.0206 785 SER 57 H -0.0122 -0.0107 0.0067 786 SER 57 HA -0.0241 -0.0112 0.0033 787 SER 57 HB2 -0.0276 -0.0214 0.0161 788 SER 57 HB3 -0.0270 -0.0186 0.0124 789 SER 57 HG -0.0189 -0.0254 0.0244 790 LEU 58 N -0.0110 -0.0085 0.0048 791 LEU 58 CA -0.0090 -0.0087 0.0047 792 LEU 58 C -0.0090 -0.0103 0.0052 793 LEU 58 O -0.0106 -0.0107 0.0055 794 LEU 58 CB -0.0083 -0.0068 0.0040 795 LEU 58 CG -0.0082 -0.0051 0.0034 796 LEU 58 CD1 -0.0097 -0.0035 0.0030 797 LEU 58 CD2 -0.0062 -0.0043 0.0029 798 LEU 58 H -0.0120 -0.0084 0.0049 799 LEU 58 HA -0.0080 -0.0091 0.0047 800 LEU 58 HB2 -0.0093 -0.0065 0.0040 801 LEU 58 HB3 -0.0070 -0.0070 0.0039 802 LEU 58 HG -0.0086 -0.0055 0.0036 803 LEU 58 HD11 -0.0096 -0.0024 0.0026 804 LEU 58 HD12 -0.0111 -0.0040 0.0033 805 LEU 58 HD13 -0.0093 -0.0032 0.0028 806 LEU 58 HD21 -0.0062 -0.0032 0.0026 807 LEU 58 HD22 -0.0057 -0.0039 0.0027 808 LEU 58 HD23 -0.0053 -0.0053 0.0032 809 LYS 59 N -0.0104 -0.0041 0.0024 810 LYS 59 CA -0.0101 -0.0030 0.0013 811 LYS 59 C -0.0102 -0.0027 0.0002 812 LYS 59 O -0.0107 -0.0037 -0.0002 813 LYS 59 CB -0.0104 -0.0033 0.0004 814 LYS 59 CG -0.0102 -0.0032 0.0013 815 LYS 59 CD -0.0107 -0.0040 0.0005 816 LYS 59 CE -0.0106 -0.0041 0.0016 817 LYS 59 NZ -0.0101 -0.0030 0.0011 818 LYS 59 H -0.0109 -0.0049 0.0020 819 LYS 59 HA -0.0096 -0.0021 0.0018 820 LYS 59 HB2 -0.0109 -0.0042 -0.0000 821 LYS 59 HB3 -0.0102 -0.0025 -0.0005 822 LYS 59 HG2 -0.0097 -0.0023 0.0013 823 LYS 59 HG3 -0.0102 -0.0037 0.0023 824 LYS 59 HD2 -0.0112 -0.0049 0.0004 825 LYS 59 HD3 -0.0107 -0.0035 -0.0004 826 LYS 59 HE2 -0.0103 -0.0040 0.0026 827 LYS 59 HE3 -0.0110 -0.0050 0.0015 828 LYS 59 HZ1 -0.0104 -0.0031 0.0002 829 LYS 59 HZ2 -0.0097 -0.0022 0.0012 830 LYS 59 HZ3 -0.0100 -0.0031 0.0018 831 VAL 60 N -0.0032 -0.0078 -0.0043 832 VAL 60 CA -0.0020 -0.0070 -0.0048 833 VAL 60 C -0.0011 -0.0072 -0.0057 834 VAL 60 O -0.0012 -0.0071 -0.0055 835 VAL 60 CB -0.0019 -0.0055 -0.0041 836 VAL 60 CG1 -0.0007 -0.0046 -0.0047 837 VAL 60 CG2 -0.0028 -0.0052 -0.0032 838 VAL 60 H -0.0033 -0.0078 -0.0042 839 VAL 60 HA -0.0018 -0.0073 -0.0051 840 VAL 60 HB -0.0021 -0.0052 -0.0037 841 VAL 60 HG11 -0.0007 -0.0037 -0.0042 842 VAL 60 HG12 -0.0002 -0.0046 -0.0050 843 VAL 60 HG13 -0.0004 -0.0051 -0.0051 844 VAL 60 HG21 -0.0027 -0.0042 -0.0028 845 VAL 60 HG22 -0.0027 -0.0056 -0.0035 846 VAL 60 HG23 -0.0036 -0.0056 -0.0028 847 PHE 61 N -0.0034 -0.0017 -0.0020 848 PHE 61 CA -0.0027 -0.0023 -0.0022 849 PHE 61 C -0.0019 -0.0021 -0.0016 850 PHE 61 O -0.0019 -0.0016 -0.0011 851 PHE 61 CB -0.0029 -0.0026 -0.0026 852 PHE 61 CG -0.0037 -0.0028 -0.0031 853 PHE 61 CD1 -0.0038 -0.0034 -0.0037 854 PHE 61 CD2 -0.0044 -0.0024 -0.0031 855 PHE 61 CE1 -0.0045 -0.0036 -0.0042 856 PHE 61 CE2 -0.0052 -0.0026 -0.0036 857 PHE 61 CZ -0.0052 -0.0032 -0.0042 858 PHE 61 H -0.0035 -0.0013 -0.0017 859 PHE 61 HA -0.0027 -0.0026 -0.0024 860 PHE 61 HB2 -0.0029 -0.0023 -0.0023 861 PHE 61 HB3 -0.0025 -0.0031 -0.0027 862 PHE 61 HD1 -0.0033 -0.0037 -0.0037 863 PHE 61 HD2 -0.0044 -0.0020 -0.0027 864 PHE 61 HE1 -0.0045 -0.0040 -0.0045 865 PHE 61 HE2 -0.0056 -0.0023 -0.0036 866 PHE 61 HZ -0.0057 -0.0033 -0.0045 867 SER 62 N 0.0027 -0.0029 -0.0013 868 SER 62 CA 0.0029 -0.0033 0.0001 869 SER 62 C 0.0030 -0.0024 0.0011 870 SER 62 O 0.0029 -0.0019 0.0008 871 SER 62 CB 0.0031 -0.0047 0.0003 872 SER 62 OG 0.0033 -0.0051 0.0016 873 SER 62 H 0.0027 -0.0035 -0.0017 874 SER 62 HA 0.0030 -0.0033 0.0002 875 SER 62 HB2 0.0031 -0.0053 -0.0003 876 SER 62 HB3 0.0031 -0.0047 0.0002 877 SER 62 HG 0.0033 -0.0047 0.0019 878 THR 63 N 0.0036 -0.0025 -0.0023 879 THR 63 CA 0.0043 -0.0015 -0.0004 880 THR 63 C 0.0026 -0.0018 0.0021 881 THR 63 O 0.0031 -0.0009 0.0039 882 THR 63 CB 0.0043 -0.0018 -0.0015 883 THR 63 OG1 0.0021 -0.0034 -0.0021 884 THR 63 CG2 0.0061 -0.0014 -0.0039 885 THR 63 H 0.0030 -0.0032 -0.0034 886 THR 63 HA 0.0057 -0.0005 -0.0000 887 THR 63 HB 0.0047 -0.0012 -0.0003 888 THR 63 HG1 0.0021 -0.0036 -0.0028 889 THR 63 HG21 0.0061 -0.0016 -0.0046 890 THR 63 HG22 0.0076 -0.0003 -0.0035 891 THR 63 HG23 0.0058 -0.0020 -0.0052 892 ASN 64 N 0.0006 -0.0010 0.0062 893 ASN 64 CA -0.0003 0.0005 0.0058 894 ASN 64 C 0.0002 0.0022 0.0058 895 ASN 64 O 0.0017 0.0027 0.0063 896 ASN 64 CB 0.0001 0.0005 0.0059 897 ASN 64 CG -0.0008 0.0019 0.0055 898 ASN 64 OD1 -0.0024 0.0019 0.0050 899 ASN 64 ND2 0.0000 0.0031 0.0057 900 ASN 64 H 0.0015 -0.0012 0.0066 901 ASN 64 HA -0.0015 0.0003 0.0054 902 ASN 64 HB2 -0.0001 -0.0006 0.0060 903 ASN 64 HB3 0.0013 0.0009 0.0063 904 ASN 64 HD21 -0.0005 0.0039 0.0054 905 ASN 64 HD22 0.0011 0.0030 0.0060 906 ASN 64 N 0.0006 -0.0011 0.0062 907 ASN 64 CA -0.0004 0.0005 0.0058 908 ASN 64 C 0.0002 0.0021 0.0058 909 ASN 64 O 0.0017 0.0026 0.0063 910 ASN 64 CB -0.0001 0.0007 0.0058 911 ASN 64 CG -0.0009 -0.0007 0.0057 912 ASN 64 OD1 -0.0022 -0.0015 0.0053 913 ASN 64 ND2 -0.0003 -0.0010 0.0059 914 ASN 64 H 0.0015 -0.0013 0.0065 915 ASN 64 HA -0.0015 0.0002 0.0054 916 ASN 64 HB2 0.0011 0.0007 0.0062 917 ASN 64 HB3 -0.0005 0.0018 0.0056 918 ASN 64 HD21 -0.0007 -0.0018 0.0059 919 ASN 64 HD22 0.0006 -0.0004 0.0062 920 CYS 65 N -0.0075 0.0078 0.0145 921 CYS 65 CA -0.0075 0.0072 0.0154 922 CYS 65 C -0.0078 0.0091 0.0162 923 CYS 65 O -0.0080 0.0107 0.0151 924 CYS 65 CB -0.0072 0.0063 0.0137 925 CYS 65 SG -0.0071 0.0055 0.0146 926 CYS 65 HA -0.0073 0.0063 0.0165 927 CYS 65 HB2 -0.0070 0.0051 0.0132 928 CYS 65 HB3 -0.0073 0.0073 0.0126 929 CYS 65 H -0.0074 0.0076 0.0132 930 CYS 65 H -0.0074 0.0077 0.0132 931 PRO 66 N -0.0096 0.0095 0.0127 932 PRO 66 CA -0.0099 0.0083 0.0124 933 PRO 66 C -0.0104 0.0083 0.0140 934 PRO 66 O -0.0108 0.0072 0.0139 935 PRO 66 CB -0.0092 0.0090 0.0109 936 PRO 66 CG -0.0086 0.0109 0.0109 937 PRO 66 CD -0.0088 0.0109 0.0115 938 PRO 66 HA -0.0102 0.0071 0.0121 939 PRO 66 HB2 -0.0093 0.0088 0.0110 940 PRO 66 HB3 -0.0091 0.0083 0.0098 941 PRO 66 HG2 -0.0086 0.0116 0.0117 942 PRO 66 HG3 -0.0081 0.0113 0.0098 943 PRO 66 HD2 -0.0086 0.0121 0.0122 944 PRO 66 HD3 -0.0085 0.0107 0.0105 945 HIS 67 N -0.0109 0.0080 0.0190 946 HIS 67 CA -0.0070 0.0054 0.0151 947 HIS 67 C -0.0016 0.0090 0.0148 948 HIS 67 O 0.0006 0.0101 0.0143 949 HIS 67 CB -0.0073 0.0016 0.0126 950 HIS 67 CG -0.0033 -0.0011 0.0086 951 HIS 67 ND1 -0.0004 -0.0018 0.0066 952 HIS 67 CD2 -0.0016 -0.0031 0.0063 953 HIS 67 CE1 0.0029 -0.0042 0.0031 954 HIS 67 NE2 0.0023 -0.0050 0.0029 955 HIS 67 H -0.0122 0.0076 0.0195 956 HIS 67 HA -0.0075 0.0038 0.0143 957 HIS 67 HB2 -0.0107 -0.0008 0.0128 958 HIS 67 HB3 -0.0069 0.0031 0.0135 959 HIS 67 HD2 -0.0028 -0.0032 0.0069 960 HIS 67 HE1 0.0052 -0.0052 0.0012 961 HIS 67 HE2 0.0040 -0.0065 0.0010 962 LEU 68 N -0.0131 0.0040 0.0273 963 LEU 68 CA -0.0039 0.0183 0.0164 964 LEU 68 C 0.0011 0.0369 0.0062 965 LEU 68 O 0.0140 0.0465 -0.0049 966 LEU 68 CB 0.0141 0.0062 0.0108 967 LEU 68 CG 0.0091 -0.0081 0.0192 968 LEU 68 CD1 0.0277 -0.0196 0.0130 969 LEU 68 CD2 -0.0041 0.0042 0.0220 970 LEU 68 H -0.0076 0.0012 0.0252 971 LEU 68 HA -0.0132 0.0245 0.0193 972 LEU 68 HB2 0.0226 -0.0027 0.0093 973 LEU 68 HB3 0.0211 0.0165 0.0027 974 LEU 68 HG 0.0018 -0.0182 0.0273 975 LEU 68 HD11 0.0243 -0.0286 0.0185 976 LEU 68 HD12 0.0356 -0.0282 0.0118 977 LEU 68 HD13 0.0350 -0.0093 0.0048 978 LEU 68 HD21 -0.0042 -0.0047 0.0256 979 LEU 68 HD22 0.0011 0.0168 0.0141 980 LEU 68 HD23 -0.0174 0.0082 0.0281 981 GLY 69 N -0.0086 0.0140 0.0188 982 GLY 69 CA -0.0087 0.0146 0.0151 983 GLY 69 C -0.0056 0.0109 0.0102 984 GLY 69 O -0.0058 0.0117 0.0064 985 GLY 69 H -0.0078 0.0122 0.0222 986 GLY 69 HA2 -0.0089 0.0145 0.0178 987 GLY 69 HA3 -0.0108 0.0180 0.0130 988 CYS 70 N -0.0109 0.0092 0.0114 989 CYS 70 CA -0.0095 0.0059 0.0085 990 CYS 70 C -0.0103 0.0038 0.0120 991 CYS 70 O -0.0118 0.0040 0.0168 992 CYS 70 CB -0.0081 0.0012 0.0063 993 CYS 70 SG -0.0067 0.0031 0.0009 994 CYS 70 H -0.0108 0.0080 0.0117 995 CYS 70 HA -0.0089 0.0080 0.0057 996 CYS 70 HB2 -0.0087 -0.0006 0.0090 997 CYS 70 HB3 -0.0074 -0.0013 0.0051 998 GLY 71 N -0.0115 0.0001 0.0045 999 GLY 71 CA -0.0094 -0.0024 0.0053 1000 GLY 71 C -0.0075 -0.0033 0.0069 1001 GLY 71 O -0.0079 -0.0036 0.0064 1002 GLY 71 H -0.0126 -0.0003 0.0029 1003 GLY 71 HA2 -0.0089 -0.0019 0.0063 1004 GLY 71 HA3 -0.0098 -0.0040 0.0037 1005 ILE 72 N -0.0050 -0.0009 0.0036 1006 ILE 72 CA -0.0037 -0.0012 0.0045 1007 ILE 72 C -0.0027 -0.0024 0.0037 1008 ILE 72 O -0.0026 -0.0031 0.0029 1009 ILE 72 CB -0.0031 -0.0008 0.0056 1010 ILE 72 CG1 -0.0040 0.0005 0.0065 1011 ILE 72 CG2 -0.0015 -0.0012 0.0064 1012 ILE 72 CD1 -0.0036 0.0010 0.0075 1013 ILE 72 H -0.0051 -0.0010 0.0035 1014 ILE 72 HA -0.0037 -0.0008 0.0049 1015 ILE 72 HB -0.0031 -0.0011 0.0052 1016 ILE 72 HG12 -0.0039 0.0008 0.0070 1017 ILE 72 HG13 -0.0050 0.0007 0.0060 1018 ILE 72 HG21 -0.0012 -0.0009 0.0072 1019 ILE 72 HG22 -0.0010 -0.0020 0.0058 1020 ILE 72 HG23 -0.0015 -0.0010 0.0067 1021 ILE 72 HD11 -0.0041 0.0018 0.0082 1022 ILE 72 HD12 -0.0039 0.0008 0.0071 1023 ILE 72 HD13 -0.0026 0.0006 0.0080 1024 ASP 73 N -0.0002 -0.0063 0.0001 1025 ASP 73 CA 0.0032 -0.0072 -0.0020 1026 ASP 73 C 0.0050 -0.0082 0.0002 1027 ASP 73 O 0.0045 -0.0085 0.0036 1028 ASP 73 CB 0.0057 -0.0080 -0.0023 1029 ASP 73 CG 0.0043 -0.0071 -0.0047 1030 ASP 73 OD1 0.0025 -0.0060 -0.0075 1031 ASP 73 OD2 0.0049 -0.0075 -0.0036 1032 ASP 73 H 0.0001 -0.0067 0.0020 1033 ASP 73 HA 0.0027 -0.0066 -0.0045 1034 ASP 73 HB2 0.0061 -0.0086 0.0002 1035 ASP 73 HB3 0.0080 -0.0087 -0.0035 1036 TRP 74 N 0.0056 -0.0028 -0.0002 1037 TRP 74 CA 0.0055 -0.0032 0.0002 1038 TRP 74 C 0.0067 -0.0036 0.0001 1039 TRP 74 O 0.0074 -0.0031 -0.0005 1040 TRP 74 CB 0.0050 -0.0025 -0.0002 1041 TRP 74 CG 0.0049 -0.0029 0.0001 1042 TRP 74 CD1 0.0055 -0.0027 -0.0002 1043 TRP 74 CD2 0.0043 -0.0036 0.0008 1044 TRP 74 NE1 0.0053 -0.0032 0.0002 1045 TRP 74 CE2 0.0046 -0.0038 0.0009 1046 TRP 74 CE3 0.0036 -0.0040 0.0014 1047 TRP 74 CZ2 0.0041 -0.0044 0.0015 1048 TRP 74 CZ3 0.0031 -0.0047 0.0020 1049 TRP 74 CH2 0.0033 -0.0048 0.0020 1050 TRP 74 H 0.0058 -0.0022 -0.0006 1051 TRP 74 HA 0.0051 -0.0037 0.0007 1052 TRP 74 HB2 0.0042 -0.0023 -0.0001 1053 TRP 74 HB3 0.0053 -0.0020 -0.0007 1054 TRP 74 HD1 0.0060 -0.0023 -0.0006 1055 TRP 74 HE1 0.0056 -0.0032 0.0001 1056 TRP 74 HE3 0.0034 -0.0040 0.0014 1057 TRP 74 HZ2 0.0042 -0.0044 0.0015 1058 TRP 74 HZ3 0.0026 -0.0050 0.0024 1059 TRP 74 HH2 0.0030 -0.0052 0.0024 1060 ALA 75 N 0.0150 -0.0083 0.0101 1061 ALA 75 CA 0.0152 -0.0082 0.0102 1062 ALA 75 C 0.0166 -0.0085 0.0103 1063 ALA 75 O 0.0174 -0.0079 0.0109 1064 ALA 75 CB 0.0147 -0.0071 0.0110 1065 ALA 75 H 0.0152 -0.0078 0.0106 1066 ALA 75 HA 0.0147 -0.0087 0.0098 1067 ALA 75 HB1 0.0149 -0.0071 0.0111 1068 ALA 75 HB2 0.0138 -0.0070 0.0109 1069 ALA 75 HB3 0.0152 -0.0067 0.0114 1070 ASN 76 N 0.0104 -0.0160 0.0160 1071 ASN 76 CA 0.0087 -0.0182 0.0186 1072 ASN 76 C 0.0127 -0.0276 0.0220 1073 ASN 76 O 0.0100 -0.0308 0.0259 1074 ASN 76 CB 0.0114 -0.0127 0.0132 1075 ASN 76 CG 0.0040 -0.0059 0.0138 1076 ASN 76 OD1 -0.0019 -0.0078 0.0192 1077 ASN 76 ND2 0.0044 0.0020 0.0084 1078 ASN 76 H 0.0138 -0.0131 0.0118 1079 ASN 76 HA 0.0027 -0.0170 0.0220 1080 ASN 76 HB2 0.0149 -0.0098 0.0089 1081 ASN 76 HB3 0.0145 -0.0163 0.0134 1082 ASN 76 HD21 0.0086 0.0031 0.0048 1083 ASN 76 HD22 0.0004 0.0061 0.0086 1084 ASP 77 N -0.0164 0.0172 0.0606 1085 ASP 77 CA -0.0484 -0.0034 0.0310 1086 ASP 77 C -0.0522 -0.0202 -0.0013 1087 ASP 77 O -0.0896 -0.0306 -0.0084 1088 ASP 77 CB -0.0379 -0.0104 0.0131 1089 ASP 77 CG 0.0094 -0.0117 -0.0070 1090 ASP 77 OD1 0.0386 -0.0065 -0.0074 1091 ASP 77 OD2 0.0182 -0.0181 -0.0233 1092 ASP 77 H 0.0089 0.0205 0.0579 1093 ASP 77 HA -0.0782 -0.0018 0.0452 1094 ASP 77 HB2 -0.0587 -0.0245 -0.0076 1095 ASP 77 HB3 -0.0420 -0.0002 0.0351 1096 VAL 78 N 0.0115 0.0057 0.0118 1097 VAL 78 CA 0.0201 0.0153 0.0066 1098 VAL 78 C 0.0337 0.0082 0.0017 1099 VAL 78 O 0.0424 0.0153 -0.0032 1100 VAL 78 CB 0.0135 0.0215 0.0087 1101 VAL 78 CG1 0.0013 0.0306 0.0127 1102 VAL 78 CG2 0.0102 0.0096 0.0118 1103 VAL 78 H 0.0067 0.0009 0.0146 1104 VAL 78 HA 0.0217 0.0233 0.0048 1105 VAL 78 HB 0.0197 0.0275 0.0051 1106 VAL 78 HG11 -0.0025 0.0345 0.0138 1107 VAL 78 HG12 0.0036 0.0383 0.0106 1108 VAL 78 HG13 -0.0050 0.0248 0.0163 1109 VAL 78 HG21 0.0071 0.0139 0.0126 1110 VAL 78 HG22 0.0033 0.0042 0.0156 1111 VAL 78 HG23 0.0180 0.0035 0.0093 1112 SER 79 N 0.0231 -0.0019 0.0106 1113 SER 79 CA 0.0236 -0.0033 0.0085 1114 SER 79 C 0.0189 -0.0006 0.0121 1115 SER 79 O 0.0212 0.0011 0.0147 1116 SER 79 CB 0.0312 -0.0037 0.0086 1117 SER 79 OG 0.0349 -0.0070 0.0041 1118 SER 79 H 0.0222 -0.0038 0.0078 1119 SER 79 HA 0.0218 -0.0060 0.0045 1120 SER 79 HB2 0.0335 -0.0012 0.0123 1121 SER 79 HB3 0.0312 -0.0042 0.0079 1122 SER 79 HG 0.0391 -0.0072 0.0040 1123 ARG 80 N 0.0111 -0.0062 0.0035 1124 ARG 80 CA 0.0105 -0.0042 0.0039 1125 ARG 80 C 0.0105 -0.0019 0.0021 1126 ARG 80 O 0.0113 -0.0022 0.0001 1127 ARG 80 CB 0.0109 -0.0050 0.0035 1128 ARG 80 CG 0.0110 -0.0074 0.0049 1129 ARG 80 CD 0.0099 -0.0071 0.0077 1130 ARG 80 NE 0.0100 -0.0092 0.0089 1131 ARG 80 CZ 0.0093 -0.0098 0.0113 1132 ARG 80 NH1 0.0084 -0.0085 0.0128 1133 ARG 80 NH2 0.0095 -0.0117 0.0122 1134 ARG 80 H 0.0117 -0.0063 0.0020 1135 ARG 80 HA 0.0098 -0.0038 0.0055 1136 ARG 80 HB2 0.0115 -0.0053 0.0017 1137 ARG 80 HB3 0.0103 -0.0037 0.0039 1138 ARG 80 HG2 0.0114 -0.0087 0.0047 1139 ARG 80 HG3 0.0113 -0.0078 0.0044 1140 ARG 80 HD2 0.0094 -0.0055 0.0079 1141 ARG 80 HD3 0.0096 -0.0071 0.0083 1142 ARG 80 HE 0.0106 -0.0101 0.0080 1143 ARG 80 HH11 0.0083 -0.0073 0.0122 1144 ARG 80 HH12 0.0080 -0.0090 0.0143 1145 ARG 80 HH21 0.0101 -0.0125 0.0112 1146 ARG 80 HH22 0.0091 -0.0121 0.0137 1147 PHE 81 N 0.0015 -0.0029 0.0050 1148 PHE 81 CA 0.0007 -0.0021 0.0040 1149 PHE 81 C 0.0016 -0.0034 0.0056 1150 PHE 81 O 0.0011 -0.0048 0.0076 1151 PHE 81 CB -0.0024 -0.0015 0.0038 1152 PHE 81 CG -0.0034 -0.0001 0.0019 1153 PHE 81 CD1 -0.0026 0.0015 -0.0003 1154 PHE 81 CD2 -0.0050 -0.0002 0.0024 1155 PHE 81 CE1 -0.0035 0.0029 -0.0020 1156 PHE 81 CE2 -0.0060 0.0012 0.0007 1157 PHE 81 CZ -0.0052 0.0028 -0.0015 1158 PHE 81 H 0.0001 -0.0033 0.0057 1159 PHE 81 HA 0.0017 -0.0011 0.0026 1160 PHE 81 HB2 -0.0034 -0.0025 0.0052 1161 PHE 81 HB3 -0.0029 -0.0012 0.0034 1162 PHE 81 HD1 -0.0015 0.0017 -0.0006 1163 PHE 81 HD2 -0.0056 -0.0013 0.0039 1164 PHE 81 HE1 -0.0030 0.0040 -0.0035 1165 PHE 81 HE2 -0.0071 0.0010 0.0010 1166 PHE 81 HZ -0.0058 0.0037 -0.0027 1167 LEU 82 N 0.0046 -0.0097 0.0022 1168 LEU 82 CA 0.0039 -0.0097 0.0051 1169 LEU 82 C 0.0019 -0.0117 0.0056 1170 LEU 82 O 0.0016 -0.0123 0.0042 1171 LEU 82 CB 0.0053 -0.0081 0.0065 1172 LEU 82 CG 0.0074 -0.0060 0.0062 1173 LEU 82 CD1 0.0085 -0.0045 0.0078 1174 LEU 82 CD2 0.0077 -0.0055 0.0072 1175 LEU 82 H 0.0046 -0.0099 0.0013 1176 LEU 82 HA 0.0039 -0.0096 0.0059 1177 LEU 82 HB2 0.0052 -0.0083 0.0057 1178 LEU 82 HB3 0.0048 -0.0081 0.0084 1179 LEU 82 HG 0.0080 -0.0058 0.0042 1180 LEU 82 HD11 0.0099 -0.0031 0.0076 1181 LEU 82 HD12 0.0084 -0.0048 0.0071 1182 LEU 82 HD13 0.0080 -0.0046 0.0097 1183 LEU 82 HD21 0.0091 -0.0041 0.0071 1184 LEU 82 HD22 0.0070 -0.0057 0.0091 1185 LEU 82 HD23 0.0071 -0.0063 0.0061 1186 CYS 83 N -0.0017 -0.0169 0.0064 1187 CYS 83 CA -0.0027 -0.0152 0.0048 1188 CYS 83 C -0.0029 -0.0154 0.0031 1189 CYS 83 O -0.0030 -0.0150 0.0037 1190 CYS 83 CB -0.0034 -0.0128 0.0059 1191 CYS 83 SG -0.0046 -0.0108 0.0038 1192 CYS 83 H -0.0016 -0.0167 0.0073 1193 CYS 83 HA -0.0028 -0.0154 0.0040 1194 CYS 83 HB2 -0.0033 -0.0127 0.0070 1195 CYS 83 HB3 -0.0034 -0.0126 0.0067 1196 PRO 84 N -0.0096 -0.0227 0.0005 1197 PRO 84 CA -0.0084 -0.0256 -0.0062 1198 PRO 84 C -0.0054 -0.0216 -0.0107 1199 PRO 84 O -0.0044 -0.0238 -0.0162 1200 PRO 84 CB -0.0082 -0.0264 -0.0078 1201 PRO 84 CG -0.0077 -0.0213 -0.0036 1202 PRO 84 CD -0.0094 -0.0204 0.0025 1203 PRO 84 HA -0.0099 -0.0297 -0.0064 1204 PRO 84 HB2 -0.0065 -0.0259 -0.0123 1205 PRO 84 HB3 -0.0100 -0.0305 -0.0069 1206 PRO 84 HG2 -0.0056 -0.0174 -0.0057 1207 PRO 84 HG3 -0.0084 -0.0225 -0.0028 1208 PRO 84 HD2 -0.0083 -0.0160 0.0043 1209 PRO 84 HD3 -0.0114 -0.0229 0.0057 1210 CYS 85 N -0.0069 -0.0379 -0.0077 1211 CYS 85 CA -0.0052 -0.0333 -0.0119 1212 CYS 85 C -0.0053 -0.0348 -0.0130 1213 CYS 85 O -0.0043 -0.0350 -0.0185 1214 CYS 85 CB -0.0045 -0.0265 -0.0093 1215 CYS 85 SG -0.0036 -0.0238 -0.0112 1216 CYS 85 H -0.0073 -0.0364 -0.0039 1217 CYS 85 HA -0.0045 -0.0337 -0.0162 1218 CYS 85 HB2 -0.0054 -0.0263 -0.0046 1219 CYS 85 HB3 -0.0036 -0.0236 -0.0112 1220 HIS 86 N -0.0122 -0.0348 -0.0079 1221 HIS 86 CA -0.0118 -0.0295 -0.0095 1222 HIS 86 C -0.0097 -0.0309 -0.0074 1223 HIS 86 O -0.0072 -0.0267 -0.0071 1224 HIS 86 CB -0.0085 -0.0237 -0.0091 1225 HIS 86 CG -0.0098 -0.0228 -0.0104 1226 HIS 86 ND1 -0.0071 -0.0248 -0.0077 1227 HIS 86 CD2 -0.0136 -0.0203 -0.0141 1228 HIS 86 CE1 -0.0092 -0.0235 -0.0097 1229 HIS 86 NE2 -0.0132 -0.0208 -0.0136 1230 HIS 86 H -0.0096 -0.0366 -0.0054 1231 HIS 86 HA -0.0153 -0.0287 -0.0123 1232 HIS 86 HB2 -0.0049 -0.0240 -0.0063 1233 HIS 86 HB3 -0.0091 -0.0202 -0.0108 1234 HIS 86 HD2 -0.0160 -0.0185 -0.0165 1235 HIS 86 HE1 -0.0081 -0.0243 -0.0086 1236 HIS 86 HE2 -0.0151 -0.0195 -0.0155 1237 GLU 87 N -0.0030 -0.0155 -0.0137 1238 GLU 87 CA 0.0059 -0.0094 -0.0148 1239 GLU 87 C 0.0116 -0.0101 -0.0200 1240 GLU 87 O 0.0174 -0.0041 -0.0189 1241 GLU 87 CB 0.0061 -0.0010 -0.0071 1242 GLU 87 CG 0.0008 0.0002 -0.0018 1243 GLU 87 CD 0.0020 0.0089 0.0055 1244 GLU 87 OE1 0.0095 0.0143 0.0048 1245 GLU 87 OE2 -0.0046 0.0102 0.0119 1246 GLU 87 H -0.0045 -0.0189 -0.0156 1247 GLU 87 HA 0.0083 -0.0102 -0.0175 1248 GLU 87 HB2 0.0039 -0.0000 -0.0044 1249 GLU 87 HB3 0.0121 0.0028 -0.0082 1250 GLU 87 HG2 0.0026 -0.0013 -0.0046 1251 GLU 87 HG3 -0.0053 -0.0031 -0.0001 1252 GLY 88 N 0.0067 -0.0061 -0.0076 1253 GLY 88 CA 0.0077 -0.0061 -0.0071 1254 GLY 88 C 0.0071 -0.0068 -0.0064 1255 GLY 88 O 0.0062 -0.0075 -0.0058 1256 GLY 88 H 0.0068 -0.0063 -0.0073 1257 GLY 88 HA2 0.0081 -0.0055 -0.0077 1258 GLY 88 HA3 0.0084 -0.0062 -0.0065 1259 VAL 89 N 0.0096 0.0047 -0.0053 1260 VAL 89 CA 0.0087 0.0035 -0.0041 1261 VAL 89 C 0.0077 0.0042 -0.0020 1262 VAL 89 O 0.0074 0.0043 -0.0015 1263 VAL 89 CB 0.0085 0.0010 -0.0044 1264 VAL 89 CG1 0.0076 -0.0001 -0.0031 1265 VAL 89 CG2 0.0095 0.0002 -0.0064 1266 VAL 89 H 0.0094 0.0048 -0.0049 1267 VAL 89 HA 0.0089 0.0038 -0.0044 1268 VAL 89 HB 0.0083 0.0007 -0.0040 1269 VAL 89 HG11 0.0076 -0.0017 -0.0034 1270 VAL 89 HG12 0.0070 0.0002 -0.0018 1271 VAL 89 HG13 0.0078 0.0004 -0.0033 1272 VAL 89 HG21 0.0094 -0.0013 -0.0065 1273 VAL 89 HG22 0.0098 0.0006 -0.0069 1274 VAL 89 HG23 0.0101 0.0009 -0.0072 1275 PHE 90 N -0.0010 0.0056 0.0039 1276 PHE 90 CA -0.0014 0.0059 0.0048 1277 PHE 90 C -0.0006 0.0050 0.0050 1278 PHE 90 O 0.0001 0.0045 0.0040 1279 PHE 90 CB -0.0023 0.0070 0.0041 1280 PHE 90 CG -0.0031 0.0079 0.0036 1281 PHE 90 CD1 -0.0029 0.0080 0.0023 1282 PHE 90 CD2 -0.0040 0.0087 0.0045 1283 PHE 90 CE1 -0.0036 0.0088 0.0018 1284 PHE 90 CE2 -0.0047 0.0095 0.0041 1285 PHE 90 CZ -0.0045 0.0095 0.0027 1286 PHE 90 H -0.0006 0.0054 0.0031 1287 PHE 90 HA -0.0017 0.0060 0.0058 1288 PHE 90 HB2 -0.0020 0.0068 0.0033 1289 PHE 90 HB3 -0.0027 0.0072 0.0049 1290 PHE 90 HD1 -0.0023 0.0075 0.0017 1291 PHE 90 HD2 -0.0041 0.0086 0.0055 1292 PHE 90 HE1 -0.0034 0.0088 0.0009 1293 PHE 90 HE2 -0.0053 0.0100 0.0047 1294 PHE 90 HZ -0.0049 0.0101 0.0024 1295 ASP 91 N -0.0074 0.0056 0.0055 1296 ASP 91 CA -0.0083 0.0056 0.0060 1297 ASP 91 C -0.0093 0.0085 0.0058 1298 ASP 91 O -0.0093 0.0105 0.0052 1299 ASP 91 CB -0.0102 0.0035 0.0076 1300 ASP 91 CG -0.0127 0.0044 0.0088 1301 ASP 91 OD1 -0.0134 0.0068 0.0085 1302 ASP 91 OD2 -0.0141 0.0025 0.0101 1303 ASP 91 H -0.0084 0.0051 0.0062 1304 ASP 91 HA -0.0070 0.0049 0.0055 1305 ASP 91 HB2 -0.0104 0.0032 0.0078 1306 ASP 91 HB3 -0.0095 0.0018 0.0077 1307 VAL 92 N -0.0118 0.0027 0.0041 1308 VAL 92 CA -0.0123 0.0048 0.0036 1309 VAL 92 C -0.0142 0.0046 0.0030 1310 VAL 92 O -0.0147 0.0062 0.0026 1311 VAL 92 CB -0.0126 0.0063 0.0032 1312 VAL 92 CG1 -0.0146 0.0057 0.0027 1313 VAL 92 CG2 -0.0124 0.0086 0.0028 1314 VAL 92 H -0.0120 0.0025 0.0041 1315 VAL 92 HA -0.0113 0.0054 0.0038 1316 VAL 92 HB -0.0114 0.0061 0.0036 1317 VAL 92 HG11 -0.0145 0.0065 0.0026 1318 VAL 92 HG12 -0.0147 0.0042 0.0029 1319 VAL 92 HG13 -0.0157 0.0062 0.0022 1320 VAL 92 HG21 -0.0125 0.0095 0.0026 1321 VAL 92 HG22 -0.0136 0.0089 0.0024 1322 VAL 92 HG23 -0.0111 0.0089 0.0032 1323 ASN 93 N -0.0185 0.0136 0.0034 1324 ASN 93 CA -0.0139 0.0070 -0.0017 1325 ASN 93 C -0.0053 -0.0014 0.0004 1326 ASN 93 O -0.0011 -0.0077 -0.0046 1327 ASN 93 CB -0.0176 0.0066 -0.0138 1328 ASN 93 CG -0.0257 0.0142 -0.0166 1329 ASN 93 OD1 -0.0273 0.0177 -0.0115 1330 ASN 93 ND2 -0.0310 0.0170 -0.0245 1331 ASN 93 H -0.0202 0.0140 -0.0005 1332 ASN 93 HA -0.0142 0.0083 0.0013 1333 ASN 93 HB2 -0.0179 0.0059 -0.0167 1334 ASN 93 HB3 -0.0143 0.0019 -0.0173 1335 ASN 93 HD21 -0.0297 0.0145 -0.0277 1336 ASN 93 HD22 -0.0357 0.0214 -0.0263 1337 GLY 94 N -0.0080 0.0042 0.0027 1338 GLY 94 CA -0.0082 0.0051 0.0022 1339 GLY 94 C -0.0080 0.0078 0.0008 1340 GLY 94 O -0.0081 0.0087 0.0003 1341 GLY 94 H -0.0095 0.0038 0.0026 1342 GLY 94 HA2 -0.0098 0.0045 0.0022 1343 GLY 94 HA3 -0.0068 0.0046 0.0028 1344 LYS 95 N -0.0091 0.0091 0.0061 1345 LYS 95 CA -0.0076 0.0125 0.0006 1346 LYS 95 C -0.0127 0.0148 0.0007 1347 LYS 95 O -0.0186 0.0161 0.0026 1348 LYS 95 CB -0.0074 0.0162 -0.0044 1349 LYS 95 CG -0.0055 0.0198 -0.0102 1350 LYS 95 CD -0.0074 0.0242 -0.0149 1351 LYS 95 CE -0.0062 0.0280 -0.0206 1352 LYS 95 NZ -0.0044 0.0269 -0.0203 1353 LYS 95 H -0.0109 0.0100 0.0060 1354 LYS 95 HA -0.0033 0.0110 -0.0000 1355 LYS 95 HB2 -0.0043 0.0147 -0.0043 1356 LYS 95 HB3 -0.0117 0.0178 -0.0039 1357 LYS 95 HG2 -0.0077 0.0206 -0.0100 1358 LYS 95 HG3 -0.0008 0.0184 -0.0113 1359 LYS 95 HD2 -0.0047 0.0234 -0.0155 1360 LYS 95 HD3 -0.0119 0.0253 -0.0136 1361 LYS 95 HE2 -0.0027 0.0285 -0.0234 1362 LYS 95 HE3 -0.0102 0.0308 -0.0218 1363 LYS 95 HZ1 -0.0075 0.0265 -0.0178 1364 LYS 95 HZ2 -0.0038 0.0292 -0.0237 1365 LYS 95 HZ3 -0.0007 0.0244 -0.0192 1366 THR 96 N -0.0086 0.0175 -0.0018 1367 THR 96 CA -0.0078 0.0169 -0.0024 1368 THR 96 C -0.0066 0.0153 -0.0007 1369 THR 96 O -0.0072 0.0152 0.0014 1370 THR 96 CB -0.0093 0.0182 -0.0022 1371 THR 96 OG1 -0.0107 0.0198 -0.0032 1372 THR 96 CG2 -0.0085 0.0179 -0.0034 1373 THR 96 H -0.0097 0.0183 -0.0012 1374 THR 96 HA -0.0072 0.0168 -0.0040 1375 THR 96 HB -0.0097 0.0182 -0.0006 1376 THR 96 HG1 -0.0115 0.0205 -0.0030 1377 THR 96 HG21 -0.0094 0.0189 -0.0040 1378 THR 96 HG22 -0.0079 0.0170 -0.0024 1379 THR 96 HG23 -0.0076 0.0174 -0.0048 1380 ILE 97 N 0.0008 0.0152 -0.0013 1381 ILE 97 CA 0.0008 0.0100 -0.0011 1382 ILE 97 C 0.0034 0.0081 -0.0051 1383 ILE 97 O 0.0034 0.0040 -0.0051 1384 ILE 97 CB -0.0001 0.0065 0.0003 1385 ILE 97 CG1 0.0019 0.0066 -0.0028 1386 ILE 97 CG2 -0.0029 0.0082 0.0046 1387 ILE 97 CD1 0.0013 0.0030 -0.0017 1388 ILE 97 H 0.0020 0.0159 -0.0032 1389 ILE 97 HA -0.0006 0.0096 0.0011 1390 ILE 97 HB -0.0001 0.0031 0.0005 1391 ILE 97 HG12 0.0020 0.0100 -0.0030 1392 ILE 97 HG13 0.0037 0.0056 -0.0056 1393 ILE 97 HG21 -0.0035 0.0057 0.0057 1394 ILE 97 HG22 -0.0041 0.0086 0.0065 1395 ILE 97 HG23 -0.0027 0.0114 0.0043 1396 ILE 97 HD11 0.0028 0.0029 -0.0040 1397 ILE 97 HD12 0.0010 -0.0003 -0.0011 1398 ILE 97 HD13 -0.0003 0.0042 0.0008 1399 SER 98 N 0.0109 0.0057 -0.0134 1400 SER 98 C 0.0175 0.0080 -0.0188 1401 SER 98 O 0.0175 0.0121 -0.0174 1402 SER 98 CA 0.0142 0.0038 -0.0171 1403 SER 98 CB 0.0149 0.0001 -0.0190 1404 SER 98 OG 0.0163 0.0023 -0.0196 1405 SER 98 H 0.0114 0.0086 -0.0129 1406 SER 98 HA 0.0138 0.0022 -0.0174 1407 SER 98 HB2 0.0167 -0.0015 -0.0213 1408 SER 98 HB3 0.0126 -0.0021 -0.0176 1409 SER 98 HG 0.0184 0.0041 -0.0209 1410 SER 98 CA 0.0143 0.0038 -0.0172 1411 SER 98 CB 0.0150 0.0008 -0.0189 1412 SER 98 OG 0.0176 -0.0020 -0.0223 1413 SER 98 H 0.0114 0.0087 -0.0129 1414 SER 98 HA 0.0140 0.0018 -0.0176 1415 SER 98 HB2 0.0127 -0.0014 -0.0175 1416 SER 98 HB3 0.0159 0.0029 -0.0191 1417 SER 98 HG 0.0194 -0.0003 -0.0234 1418 GLY 99 N 0.0186 -0.0014 -0.0086 1419 GLY 99 CA 0.0173 -0.0012 -0.0092 1420 GLY 99 C 0.0123 -0.0026 -0.0087 1421 GLY 99 O 0.0097 -0.0038 -0.0077 1422 GLY 99 H 0.0194 -0.0028 -0.0062 1423 GLY 99 HA2 0.0192 -0.0020 -0.0074 1424 GLY 99 HA3 0.0178 0.0007 -0.0118 1425 PRO 100 N 0.0012 -0.0087 -0.0045 1426 PRO 100 CA -0.0000 -0.0082 -0.0040 1427 PRO 100 C -0.0014 -0.0071 -0.0041 1428 PRO 100 O -0.0024 -0.0066 -0.0038 1429 PRO 100 CB 0.0006 -0.0078 -0.0049 1430 PRO 100 CG 0.0015 -0.0074 -0.0061 1431 PRO 100 CD 0.0023 -0.0083 -0.0058 1432 PRO 100 HA -0.0002 -0.0089 -0.0031 1433 PRO 100 HB2 -0.0002 -0.0072 -0.0049 1434 PRO 100 HB3 0.0010 -0.0085 -0.0045 1435 PRO 100 HG2 0.0010 -0.0066 -0.0066 1436 PRO 100 HG3 0.0022 -0.0074 -0.0066 1437 PRO 100 HD2 0.0025 -0.0079 -0.0064 1438 PRO 100 HD3 0.0032 -0.0090 -0.0057 1439 ALA 101 N -0.0118 0.0109 -0.0042 1440 ALA 101 CA -0.0124 0.0127 -0.0031 1441 ALA 101 C -0.0139 0.0115 -0.0034 1442 ALA 101 O -0.0156 0.0098 -0.0039 1443 ALA 101 CB -0.0141 0.0144 -0.0018 1444 ALA 101 H -0.0125 0.0109 -0.0040 1445 ALA 101 HA -0.0108 0.0135 -0.0030 1446 ALA 101 HB1 -0.0145 0.0156 -0.0011 1447 ALA 101 HB2 -0.0132 0.0152 -0.0016 1448 ALA 101 HB3 -0.0157 0.0135 -0.0019 1449 PRO 102 N -0.0153 0.0114 -0.0062 1450 PRO 102 CA -0.0119 0.0071 -0.0183 1451 PRO 102 C -0.0142 0.0088 -0.0230 1452 PRO 102 O -0.0116 0.0055 -0.0330 1453 PRO 102 CB -0.0016 -0.0022 -0.0158 1454 PRO 102 CG -0.0003 -0.0023 -0.0028 1455 PRO 102 CD -0.0080 0.0055 0.0036 1456 PRO 102 HA -0.0140 0.0085 -0.0242 1457 PRO 102 HB2 0.0015 -0.0057 -0.0214 1458 PRO 102 HB3 0.0002 -0.0040 -0.0166 1459 PRO 102 HG2 -0.0005 -0.0021 -0.0026 1460 PRO 102 HG3 0.0054 -0.0072 0.0008 1461 PRO 102 HD2 -0.0097 0.0077 0.0102 1462 PRO 102 HD3 -0.0065 0.0044 0.0067 1463 ARG 103 N -0.0158 0.0195 -0.0018 1464 ARG 103 CA -0.0128 0.0182 -0.0035 1465 ARG 103 C -0.0149 0.0179 -0.0018 1466 ARG 103 O -0.0184 0.0181 0.0007 1467 ARG 103 CB -0.0100 0.0139 -0.0037 1468 ARG 103 CG -0.0119 0.0102 -0.0006 1469 ARG 103 CD -0.0093 0.0057 -0.0006 1470 ARG 103 NE -0.0086 0.0051 -0.0008 1471 ARG 103 CZ -0.0057 0.0022 -0.0017 1472 ARG 103 NH1 -0.0031 -0.0006 -0.0024 1473 ARG 103 NH2 -0.0054 0.0020 -0.0018 1474 ARG 103 H -0.0180 0.0190 0.0000 1475 ARG 103 HA -0.0113 0.0205 -0.0056 1476 ARG 103 HB2 -0.0083 0.0129 -0.0045 1477 ARG 103 HB3 -0.0084 0.0143 -0.0050 1478 ARG 103 HG2 -0.0126 0.0103 -0.0002 1479 ARG 103 HG3 -0.0143 0.0105 0.0010 1480 ARG 103 HD2 -0.0068 0.0054 -0.0023 1481 ARG 103 HD3 -0.0105 0.0034 0.0013 1482 ARG 103 HE -0.0103 0.0068 -0.0004 1483 ARG 103 HH11 -0.0034 -0.0006 -0.0022 1484 ARG 103 HH12 -0.0012 -0.0025 -0.0029 1485 ARG 103 HH21 -0.0071 0.0037 -0.0014 1486 ARG 103 HH22 -0.0035 0.0001 -0.0024 1487 GLY 104 N -0.0091 0.0160 -0.0030 1488 GLY 104 CA -0.0103 0.0157 -0.0019 1489 GLY 104 C -0.0106 0.0122 -0.0001 1490 GLY 104 O -0.0099 0.0100 0.0005 1491 GLY 104 H -0.0073 0.0159 -0.0044 1492 GLY 104 HA2 -0.0122 0.0171 -0.0012 1493 GLY 104 HA3 -0.0092 0.0162 -0.0031 1494 MET 105 N -0.0054 0.0055 0.0030 1495 MET 105 CA -0.0063 0.0034 0.0024 1496 MET 105 C -0.0056 0.0018 0.0012 1497 MET 105 O -0.0040 0.0022 0.0005 1498 MET 105 CB -0.0055 0.0033 0.0019 1499 MET 105 CG -0.0066 0.0045 0.0032 1500 MET 105 SD -0.0056 0.0050 0.0028 1501 MET 105 CE -0.0058 0.0024 0.0016 1502 MET 105 H -0.0045 0.0063 0.0029 1503 MET 105 HA -0.0078 0.0031 0.0031 1504 MET 105 HB2 -0.0040 0.0038 0.0014 1505 MET 105 HB3 -0.0059 0.0018 0.0014 1506 MET 105 HG2 -0.0081 0.0037 0.0036 1507 MET 105 HG3 -0.0066 0.0059 0.0039 1508 MET 105 HE1 -0.0053 0.0024 0.0014 1509 MET 105 HE2 -0.0050 0.0016 0.0008 1510 MET 105 HE3 -0.0073 0.0016 0.0021 1511 TYR 106 N -0.0007 0.0002 0.0015 1512 TYR 106 CA -0.0008 -0.0017 -0.0001 1513 TYR 106 C 0.0008 -0.0021 -0.0021 1514 TYR 106 O 0.0010 -0.0021 -0.0024 1515 TYR 106 CB -0.0028 -0.0036 0.0003 1516 TYR 106 CG -0.0045 -0.0034 0.0023 1517 TYR 106 CD1 -0.0050 -0.0036 0.0026 1518 TYR 106 CD2 -0.0058 -0.0031 0.0038 1519 TYR 106 CE1 -0.0065 -0.0034 0.0044 1520 TYR 106 CE2 -0.0074 -0.0030 0.0056 1521 TYR 106 CZ -0.0078 -0.0031 0.0059 1522 TYR 106 OH -0.0094 -0.0030 0.0077 1523 TYR 106 H -0.0015 -0.0001 0.0022 1524 TYR 106 HA -0.0006 -0.0016 -0.0001 1525 TYR 106 HB2 -0.0030 -0.0038 0.0002 1526 TYR 106 HB3 -0.0029 -0.0048 -0.0008 1527 TYR 106 HD1 -0.0042 -0.0038 0.0015 1528 TYR 106 HD2 -0.0055 -0.0031 0.0036 1529 TYR 106 HE1 -0.0068 -0.0035 0.0045 1530 TYR 106 HE2 -0.0082 -0.0028 0.0067 1531 TYR 106 HH -0.0090 -0.0022 0.0081 1532 SER 107 N 0.0011 -0.0076 -0.0052 1533 SER 107 CA 0.0011 -0.0079 -0.0048 1534 SER 107 C 0.0011 -0.0075 -0.0045 1535 SER 107 O 0.0011 -0.0071 -0.0042 1536 SER 107 CB 0.0011 -0.0083 -0.0043 1537 SER 107 OG 0.0011 -0.0079 -0.0040 1538 SER 107 H 0.0011 -0.0074 -0.0050 1539 SER 107 HA 0.0011 -0.0082 -0.0050 1540 SER 107 HB2 0.0010 -0.0085 -0.0041 1541 SER 107 HB3 0.0010 -0.0085 -0.0045 1542 SER 107 HG 0.0011 -0.0077 -0.0038 1543 SER 107 N 0.0011 -0.0076 -0.0052 1544 SER 107 CA 0.0011 -0.0079 -0.0047 1545 SER 107 C 0.0011 -0.0075 -0.0045 1546 SER 107 O 0.0011 -0.0069 -0.0044 1547 SER 107 CB 0.0011 -0.0081 -0.0042 1548 SER 107 OG 0.0010 -0.0084 -0.0038 1549 SER 107 H 0.0011 -0.0073 -0.0051 1550 SER 107 HA 0.0011 -0.0082 -0.0049 1551 SER 107 HB2 0.0010 -0.0084 -0.0044 1552 SER 107 HB3 0.0011 -0.0078 -0.0040 1553 SER 107 HG 0.0010 -0.0082 -0.0036 1554 TYR 108 N 0.0016 -0.0076 -0.0061 1555 TYR 108 CA 0.0014 -0.0064 -0.0057 1556 TYR 108 C -0.0004 -0.0061 -0.0057 1557 TYR 108 O -0.0013 -0.0059 -0.0058 1558 TYR 108 CB 0.0021 -0.0050 -0.0051 1559 TYR 108 CG 0.0038 -0.0050 -0.0049 1560 TYR 108 CD1 0.0048 -0.0058 -0.0051 1561 TYR 108 CD2 0.0046 -0.0040 -0.0045 1562 TYR 108 CE1 0.0064 -0.0058 -0.0049 1563 TYR 108 CE2 0.0062 -0.0040 -0.0043 1564 TYR 108 CZ 0.0071 -0.0049 -0.0045 1565 TYR 108 OH 0.0087 -0.0048 -0.0044 1566 TYR 108 H 0.0015 -0.0073 -0.0060 1567 TYR 108 HA 0.0019 -0.0068 -0.0058 1568 TYR 108 HB2 0.0018 -0.0048 -0.0051 1569 TYR 108 HB3 0.0017 -0.0042 -0.0048 1570 TYR 108 HD1 0.0044 -0.0065 -0.0054 1571 TYR 108 HD2 0.0039 -0.0034 -0.0043 1572 TYR 108 HE1 0.0071 -0.0064 -0.0051 1573 TYR 108 HE2 0.0067 -0.0033 -0.0040 1574 TYR 108 HH 0.0090 -0.0040 -0.0040 1575 ARG 109 N 0.0001 -0.0014 -0.0054 1576 ARG 109 CA 0.0011 -0.0024 -0.0011 1577 ARG 109 C -0.0001 -0.0055 0.0004 1578 ARG 109 O -0.0004 -0.0054 -0.0006 1579 ARG 109 CB 0.0038 0.0011 0.0008 1580 ARG 109 CG 0.0050 0.0004 0.0052 1581 ARG 109 CD 0.0076 0.0040 0.0067 1582 ARG 109 NE 0.0089 0.0034 0.0110 1583 ARG 109 CZ 0.0106 0.0047 0.0135 1584 ARG 109 NH1 0.0112 0.0066 0.0121 1585 ARG 109 NH2 0.0117 0.0041 0.0174 1586 ARG 109 H 0.0011 0.0009 -0.0062 1587 ARG 109 HA 0.0010 -0.0032 -0.0004 1588 ARG 109 HB2 0.0045 0.0030 -0.0002 1589 ARG 109 HB3 0.0040 0.0019 0.0000 1590 ARG 109 HG2 0.0044 -0.0014 0.0063 1591 ARG 109 HG3 0.0049 -0.0005 0.0060 1592 ARG 109 HD2 0.0082 0.0058 0.0055 1593 ARG 109 HD3 0.0078 0.0047 0.0061 1594 ARG 109 HE 0.0086 0.0022 0.0120 1595 ARG 109 HH11 0.0105 0.0071 0.0096 1596 ARG 109 HH12 0.0123 0.0075 0.0138 1597 ARG 109 HH21 0.0113 0.0029 0.0182 1598 ARG 109 HH22 0.0128 0.0049 0.0190 1599 THR 110 N -0.0042 -0.0071 0.0023 1600 THR 110 CA -0.0049 -0.0069 0.0032 1601 THR 110 C -0.0071 -0.0067 0.0060 1602 THR 110 O -0.0086 -0.0078 0.0069 1603 THR 110 CB -0.0054 -0.0097 0.0017 1604 THR 110 OG1 -0.0034 -0.0101 -0.0010 1605 THR 110 CG2 -0.0059 -0.0095 0.0025 1606 THR 110 H -0.0053 -0.0082 0.0027 1607 THR 110 HA -0.0037 -0.0053 0.0031 1608 THR 110 HB -0.0067 -0.0112 0.0020 1609 THR 110 HG1 -0.0036 -0.0116 -0.0019 1610 THR 110 HG21 -0.0059 -0.0110 0.0013 1611 THR 110 HG22 -0.0074 -0.0095 0.0042 1612 THR 110 HG23 -0.0048 -0.0077 0.0025 1613 THR 110 N -0.0042 -0.0071 0.0023 1614 THR 110 CA -0.0049 -0.0070 0.0032 1615 THR 110 C -0.0071 -0.0067 0.0061 1616 THR 110 O -0.0085 -0.0078 0.0069 1617 THR 110 CB -0.0054 -0.0097 0.0017 1618 THR 110 OG1 -0.0073 -0.0121 0.0021 1619 THR 110 CG2 -0.0033 -0.0102 -0.0011 1620 THR 110 H -0.0053 -0.0082 0.0027 1621 THR 110 HA -0.0037 -0.0053 0.0031 1622 THR 110 HB -0.0059 -0.0096 0.0024 1623 THR 110 HG1 -0.0074 -0.0136 0.0011 1624 THR 110 HG21 -0.0037 -0.0121 -0.0021 1625 THR 110 HG22 -0.0027 -0.0098 -0.0016 1626 THR 110 HG23 -0.0022 -0.0089 -0.0015 1627 LYS 111 N -0.0080 -0.0095 0.0105 1628 LYS 111 CA -0.0099 -0.0106 0.0158 1629 LYS 111 C -0.0095 -0.0130 0.0142 1630 LYS 111 O -0.0077 -0.0123 0.0094 1631 LYS 111 CB -0.0110 -0.0050 0.0198 1632 LYS 111 CG -0.0099 -0.0001 0.0174 1633 LYS 111 CD -0.0110 0.0053 0.0216 1634 LYS 111 CE -0.0099 0.0104 0.0192 1635 LYS 111 NZ -0.0110 0.0156 0.0233 1636 LYS 111 H -0.0069 -0.0080 0.0078 1637 LYS 111 HA -0.0108 -0.0137 0.0180 1638 LYS 111 HB2 -0.0123 -0.0062 0.0234 1639 LYS 111 HB3 -0.0111 -0.0032 0.0203 1640 LYS 111 HG2 -0.0085 0.0013 0.0138 1641 LYS 111 HG3 -0.0097 -0.0018 0.0168 1642 LYS 111 HD2 -0.0124 0.0039 0.0252 1643 LYS 111 HD3 -0.0112 0.0069 0.0223 1644 LYS 111 HE2 -0.0086 0.0120 0.0158 1645 LYS 111 HE3 -0.0096 0.0087 0.0182 1646 LYS 111 HZ1 -0.0117 0.0164 0.0253 1647 LYS 111 HZ2 -0.0102 0.0189 0.0214 1648 LYS 111 HZ3 -0.0120 0.0147 0.0258 1649 VAL 112 N -0.0068 -0.0045 0.0079 1650 VAL 112 CA -0.0065 -0.0045 0.0074 1651 VAL 112 C -0.0069 -0.0039 0.0075 1652 VAL 112 O -0.0073 -0.0040 0.0081 1653 VAL 112 CB -0.0060 -0.0052 0.0076 1654 VAL 112 CG1 -0.0057 -0.0051 0.0071 1655 VAL 112 CG2 -0.0056 -0.0057 0.0075 1656 VAL 112 H -0.0070 -0.0047 0.0083 1657 VAL 112 HA -0.0062 -0.0043 0.0069 1658 VAL 112 HB -0.0063 -0.0054 0.0081 1659 VAL 112 HG11 -0.0055 -0.0056 0.0072 1660 VAL 112 HG12 -0.0060 -0.0048 0.0071 1661 VAL 112 HG13 -0.0055 -0.0049 0.0066 1662 VAL 112 HG21 -0.0053 -0.0062 0.0076 1663 VAL 112 HG22 -0.0054 -0.0056 0.0070 1664 VAL 112 HG23 -0.0058 -0.0058 0.0079 1665 GLU 113 N -0.0029 0.0020 0.0052 1666 GLU 113 CA 0.0033 -0.0062 0.0035 1667 GLU 113 C -0.0002 -0.0103 0.0080 1668 GLU 113 O -0.0066 -0.0131 0.0142 1669 GLU 113 CB 0.0058 -0.0141 0.0048 1670 GLU 113 CG 0.0113 -0.0232 0.0040 1671 GLU 113 CD 0.0135 -0.0313 0.0055 1672 GLU 113 OE1 0.0160 -0.0295 0.0028 1673 GLU 113 OE2 0.0126 -0.0395 0.0095 1674 GLU 113 H -0.0076 0.0008 0.0094 1675 GLU 113 HA 0.0081 -0.0040 -0.0012 1676 GLU 113 HB2 0.0086 -0.0117 0.0015 1677 GLU 113 HB3 0.0009 -0.0158 0.0093 1678 GLU 113 HG2 0.0087 -0.0254 0.0070 1679 GLU 113 HG3 0.0164 -0.0217 -0.0007 1680 ASN 114 N 0.0038 -0.0087 0.0049 1681 ASN 114 CA 0.0035 -0.0130 0.0042 1682 ASN 114 C 0.0039 -0.0193 -0.0042 1683 ASN 114 O 0.0046 -0.0194 -0.0092 1684 ASN 114 CB 0.0041 -0.0058 0.0045 1685 ASN 114 CG 0.0035 0.0002 0.0131 1686 ASN 114 OD1 0.0024 -0.0028 0.0203 1687 ASN 114 ND2 0.0044 0.0088 0.0123 1688 ASN 114 H 0.0031 -0.0092 0.0102 1689 ASN 114 HA 0.0025 -0.0168 0.0095 1690 ASN 114 HB2 0.0051 -0.0018 -0.0008 1691 ASN 114 HB3 0.0038 -0.0089 0.0044 1692 ASN 114 HD21 0.0041 0.0125 0.0169 1693 ASN 114 HD22 0.0052 0.0106 0.0071 1694 ASN 115 N -0.0024 -0.0022 -0.0017 1695 ASN 115 CA -0.0002 -0.0001 0.0012 1696 ASN 115 C -0.0063 -0.0004 0.0040 1697 ASN 115 O -0.0050 0.0010 0.0060 1698 ASN 115 CB 0.0049 -0.0012 -0.0038 1699 ASN 115 CG 0.0096 0.0020 -0.0004 1700 ASN 115 OD1 0.0120 0.0053 0.0047 1701 ASN 115 ND2 0.0109 0.0009 -0.0031 1702 ASN 115 H -0.0017 -0.0008 0.0007 1703 ASN 115 HA 0.0023 0.0025 0.0048 1704 ASN 115 HB2 0.0079 -0.0018 -0.0066 1705 ASN 115 HB3 0.0021 -0.0034 -0.0064 1706 ASN 115 HD21 0.0091 -0.0014 -0.0065 1707 ASN 115 HD22 0.0136 0.0026 -0.0014 1708 ASN 115 N -0.0024 -0.0022 -0.0017 1709 ASN 115 CA -0.0002 -0.0000 0.0013 1710 ASN 115 C -0.0063 -0.0003 0.0042 1711 ASN 115 O -0.0050 0.0011 0.0063 1712 ASN 115 CB 0.0050 -0.0010 -0.0035 1713 ASN 115 CG 0.0121 0.0001 -0.0053 1714 ASN 115 OD1 0.0145 0.0029 -0.0014 1715 ASN 115 ND2 0.0155 -0.0020 -0.0113 1716 ASN 115 H -0.0016 -0.0008 0.0007 1717 ASN 115 HA 0.0023 0.0026 0.0049 1718 ASN 115 HB2 0.0029 -0.0037 -0.0076 1719 ASN 115 HB3 0.0058 0.0003 -0.0015 1720 ASN 115 HD21 0.0136 -0.0039 -0.0138 1721 ASN 115 HD22 0.0195 -0.0014 -0.0125 1722 THR 116 N -0.0025 -0.0046 0.0029 1723 THR 116 CA -0.0029 -0.0045 0.0027 1724 THR 116 C -0.0030 -0.0041 0.0031 1725 THR 116 O -0.0030 -0.0039 0.0035 1726 THR 116 CB -0.0032 -0.0043 0.0024 1727 THR 116 OG1 -0.0031 -0.0046 0.0020 1728 THR 116 CG2 -0.0036 -0.0041 0.0022 1729 THR 116 H -0.0026 -0.0045 0.0031 1730 THR 116 HA -0.0028 -0.0046 0.0025 1731 THR 116 HB -0.0033 -0.0042 0.0026 1732 THR 116 HG1 -0.0033 -0.0046 0.0018 1733 THR 116 HG21 -0.0038 -0.0040 0.0019 1734 THR 116 HG22 -0.0038 -0.0038 0.0025 1735 THR 116 HG23 -0.0036 -0.0042 0.0021 1736 VAL 117 N -0.0029 -0.0011 0.0019 1737 VAL 117 CA -0.0027 -0.0018 0.0016 1738 VAL 117 C -0.0022 -0.0013 0.0015 1739 VAL 117 O -0.0015 -0.0008 0.0013 1740 VAL 117 CB -0.0022 -0.0026 0.0012 1741 VAL 117 CG1 -0.0020 -0.0033 0.0010 1742 VAL 117 CG2 -0.0027 -0.0030 0.0014 1743 VAL 117 H -0.0025 -0.0011 0.0017 1744 VAL 117 HA -0.0033 -0.0021 0.0018 1745 VAL 117 HB -0.0016 -0.0023 0.0010 1746 VAL 117 HG11 -0.0018 -0.0038 0.0008 1747 VAL 117 HG12 -0.0016 -0.0030 0.0009 1748 VAL 117 HG13 -0.0025 -0.0035 0.0012 1749 VAL 117 HG21 -0.0024 -0.0035 0.0011 1750 VAL 117 HG22 -0.0032 -0.0033 0.0016 1751 VAL 117 HG23 -0.0027 -0.0025 0.0015 1752 PHE 118 N -0.0039 -0.0050 -0.0003 1753 PHE 118 CA -0.0042 -0.0018 -0.0011 1754 PHE 118 C -0.0043 -0.0013 -0.0012 1755 PHE 118 O -0.0044 -0.0023 0.0009 1756 PHE 118 CB -0.0048 0.0005 0.0013 1757 PHE 118 CG -0.0048 0.0008 0.0012 1758 PHE 118 CD1 -0.0048 0.0029 -0.0008 1759 PHE 118 CD2 -0.0048 -0.0012 0.0031 1760 PHE 118 CE1 -0.0049 0.0032 -0.0009 1761 PHE 118 CE2 -0.0048 -0.0009 0.0029 1762 PHE 118 CZ -0.0049 0.0012 0.0010 1763 PHE 118 H -0.0041 -0.0056 0.0015 1764 PHE 118 HA -0.0040 -0.0013 -0.0032 1765 PHE 118 HB2 -0.0050 -0.0003 0.0034 1766 PHE 118 HB3 -0.0050 0.0026 0.0010 1767 PHE 118 HD1 -0.0048 0.0042 -0.0021 1768 PHE 118 HD2 -0.0048 -0.0026 0.0044 1769 PHE 118 HE1 -0.0049 0.0047 -0.0022 1770 PHE 118 HE2 -0.0048 -0.0022 0.0042 1771 PHE 118 HZ -0.0049 0.0014 0.0009 1772 VAL 119 N 0.0012 -0.0005 -0.0046 1773 VAL 119 CA 0.0016 -0.0015 -0.0052 1774 VAL 119 C 0.0020 0.0001 -0.0051 1775 VAL 119 O 0.0027 0.0017 -0.0054 1776 VAL 119 CB 0.0029 -0.0026 -0.0066 1777 VAL 119 CG1 0.0025 -0.0042 -0.0066 1778 VAL 119 CG2 0.0043 -0.0013 -0.0075 1779 VAL 119 H 0.0019 0.0004 -0.0050 1780 VAL 119 HA 0.0007 -0.0024 -0.0046 1781 VAL 119 HB 0.0032 -0.0032 -0.0070 1782 VAL 119 HG11 0.0034 -0.0049 -0.0075 1783 VAL 119 HG12 0.0017 -0.0052 -0.0061 1784 VAL 119 HG13 0.0022 -0.0037 -0.0062 1785 VAL 119 HG21 0.0051 -0.0021 -0.0084 1786 VAL 119 HG22 0.0040 -0.0006 -0.0071 1787 VAL 119 HG23 0.0047 -0.0004 -0.0076 1788 ASP 120 N 0.0031 0.0003 -0.0046 1789 ASP 120 CA 0.0034 0.0025 -0.0045 1790 ASP 120 C 0.0023 0.0042 -0.0061 1791 ASP 120 O 0.0024 0.0054 -0.0061 1792 ASP 120 CB 0.0049 0.0036 -0.0026 1793 ASP 120 CG 0.0052 0.0059 -0.0024 1794 ASP 120 OD1 0.0043 0.0066 -0.0037 1795 ASP 120 OD2 0.0064 0.0071 -0.0010 1796 ASP 120 H 0.0034 0.0004 -0.0042 1797 ASP 120 HA 0.0033 0.0021 -0.0045 1798 ASP 120 HB2 0.0056 0.0025 -0.0016 1799 ASP 120 HB3 0.0050 0.0039 -0.0025 1800 TYR 121 N 0.0029 0.0050 -0.0059 1801 TYR 121 CA 0.0004 0.0065 -0.0046 1802 TYR 121 C -0.0001 0.0072 -0.0042 1803 TYR 121 O -0.0021 0.0086 -0.0031 1804 TYR 121 CB -0.0023 0.0047 -0.0044 1805 TYR 121 CG -0.0031 0.0020 -0.0050 1806 TYR 121 CD1 -0.0020 -0.0004 -0.0062 1807 TYR 121 CD2 -0.0051 0.0020 -0.0044 1808 TYR 121 CE1 -0.0027 -0.0029 -0.0068 1809 TYR 121 CE2 -0.0058 -0.0005 -0.0050 1810 TYR 121 CZ -0.0047 -0.0029 -0.0062 1811 TYR 121 OH -0.0055 -0.0053 -0.0068 1812 TYR 121 H 0.0026 0.0032 -0.0064 1813 TYR 121 HA 0.0006 0.0082 -0.0040 1814 TYR 121 HB2 -0.0039 0.0059 -0.0035 1815 TYR 121 HB3 -0.0019 0.0042 -0.0046 1816 TYR 121 HD1 -0.0007 -0.0004 -0.0066 1817 TYR 121 HD2 -0.0059 0.0036 -0.0036 1818 TYR 121 HE1 -0.0019 -0.0045 -0.0076 1819 TYR 121 HE2 -0.0071 -0.0005 -0.0046 1820 TYR 121 HH -0.0066 -0.0050 -0.0063 1821 ALA 122 N -0.0054 0.0079 -0.0055 1822 ALA 122 CA -0.0076 0.0131 -0.0029 1823 ALA 122 C -0.0021 0.0193 0.0019 1824 ALA 122 O -0.0031 0.0240 0.0046 1825 ALA 122 CB -0.0073 0.0094 -0.0050 1826 ALA 122 H -0.0016 0.0046 -0.0067 1827 ALA 122 HA -0.0132 0.0153 -0.0028 1828 ALA 122 HB1 -0.0096 0.0129 -0.0035 1829 ALA 122 HB2 -0.0105 0.0054 -0.0081 1830 ALA 122 HB3 -0.0017 0.0078 -0.0048 1831 ALA 123 N -0.0026 0.0140 -0.0017 1832 ALA 123 CA -0.0010 0.0143 0.0022 1833 ALA 123 C -0.0011 0.0114 0.0006 1834 ALA 123 O 0.0004 0.0073 0.0023 1835 ALA 123 CB 0.0014 0.0120 0.0067 1836 ALA 123 H -0.0026 0.0110 -0.0031 1837 ALA 123 HA -0.0014 0.0179 0.0030 1838 ALA 123 HB1 0.0023 0.0137 0.0095 1839 ALA 123 HB2 0.0013 0.0124 0.0067 1840 ALA 123 HB3 0.0020 0.0083 0.0065 1841 ILE 124 N -0.0016 0.0009 -0.0018 1842 ILE 124 CA -0.0013 -0.0008 -0.0027 1843 ILE 124 C -0.0016 -0.0019 -0.0029 1844 ILE 124 O -0.0012 -0.0013 -0.0030 1845 ILE 124 CB 0.0001 -0.0005 -0.0040 1846 ILE 124 CG1 0.0003 0.0006 -0.0038 1847 ILE 124 CG2 0.0004 -0.0022 -0.0050 1848 ILE 124 CD1 0.0017 0.0015 -0.0049 1849 ILE 124 H -0.0010 0.0016 -0.0021 1850 ILE 124 HA -0.0019 -0.0014 -0.0023 1851 ILE 124 HB 0.0007 0.0001 -0.0044 1852 ILE 124 HG12 -0.0000 -0.0002 -0.0038 1853 ILE 124 HG13 -0.0002 0.0015 -0.0030 1854 ILE 124 HG21 0.0012 -0.0021 -0.0058 1855 ILE 124 HG22 0.0005 -0.0028 -0.0053 1856 ILE 124 HG23 -0.0003 -0.0030 -0.0046 1857 ILE 124 HD11 0.0017 0.0022 -0.0047 1858 ILE 124 HD12 0.0020 0.0023 -0.0050 1859 ILE 124 HD13 0.0022 0.0007 -0.0058 1860 THR 125 N -0.0013 0.0028 -0.0031 1861 THR 125 CA -0.0019 0.0014 0.0008 1862 THR 125 C -0.0003 -0.0032 -0.0051 1863 THR 125 O 0.0011 -0.0091 -0.0097 1864 THR 125 CB -0.0026 -0.0041 0.0087 1865 THR 125 OG1 -0.0042 0.0006 0.0149 1866 THR 125 CG2 -0.0029 -0.0069 0.0121 1867 THR 125 OXT -0.0005 -0.0009 -0.0054 1868 THR 125 H -0.0007 -0.0018 -0.0039 1869 THR 125 HA -0.0027 0.0068 0.0022 1870 THR 125 HB -0.0018 -0.0092 0.0073 1871 THR 125 HG1 -0.0042 0.0038 0.0126 1872 THR 125 HG21 -0.0038 -0.0084 0.0180 1873 THR 125 HG22 -0.0019 -0.0118 0.0091 1874 THR 125 HG23 -0.0033 -0.0023 0.0115