1 ALA 8 N 0.0519 0.0040 0.0071 2 ALA 8 CA 0.0738 0.0153 0.0226 3 ALA 8 C 0.0689 0.0129 0.0344 4 ALA 8 O 0.0844 0.0210 0.0527 5 ALA 8 CB 0.1001 0.0286 0.0031 6 ALA 8 HA 0.0762 0.0167 0.0405 7 ALA 8 HB1 0.1144 0.0360 0.0139 8 ALA 8 HB2 0.1043 0.0307 -0.0006 9 ALA 8 HB3 0.0972 0.0269 -0.0156 10 ASP 9 N 0.0207 -0.0010 0.0049 11 ASP 9 CA 0.0175 -0.0032 0.0105 12 ASP 9 C 0.0087 -0.0050 0.0101 13 ASP 9 O 0.0048 -0.0047 0.0055 14 ASP 9 CB 0.0201 -0.0024 0.0097 15 ASP 9 CG 0.0184 -0.0046 0.0168 16 ASP 9 OD1 0.0183 -0.0062 0.0231 17 ASP 9 OD2 0.0172 -0.0047 0.0160 18 ASP 9 H 0.0177 -0.0007 0.0010 19 ASP 9 HA 0.0193 -0.0041 0.0155 20 ASP 9 HB2 0.0256 -0.0010 0.0091 21 ASP 9 HB3 0.0174 -0.0019 0.0053 22 PHE 10 N -0.0001 0.0032 0.0047 23 PHE 10 CA -0.0042 0.0034 0.0050 24 PHE 10 C -0.0040 0.0049 0.0083 25 PHE 10 O -0.0024 0.0064 0.0116 26 PHE 10 CB -0.0079 0.0039 0.0059 27 PHE 10 CG -0.0098 0.0023 0.0022 28 PHE 10 CD1 -0.0125 0.0012 -0.0005 29 PHE 10 CD2 -0.0090 0.0020 0.0016 30 PHE 10 CE1 -0.0143 -0.0002 -0.0038 31 PHE 10 CE2 -0.0108 0.0006 -0.0017 32 PHE 10 CZ -0.0134 -0.0005 -0.0044 33 PHE 10 H -0.0000 0.0038 0.0060 34 PHE 10 HA -0.0048 0.0023 0.0024 35 PHE 10 HB2 -0.0068 0.0047 0.0077 36 PHE 10 HB3 -0.0103 0.0045 0.0071 37 PHE 10 HD1 -0.0131 0.0014 -0.0001 38 PHE 10 HD2 -0.0072 0.0028 0.0034 39 PHE 10 HE1 -0.0161 -0.0010 -0.0056 40 PHE 10 HE2 -0.0102 0.0004 -0.0022 41 PHE 10 HZ -0.0147 -0.0015 -0.0066 42 ILE 11 N -0.0057 0.0101 0.0016 43 ILE 11 CA -0.0019 0.0142 0.0040 44 ILE 11 C -0.0053 0.0163 0.0041 45 ILE 11 O -0.0070 0.0126 0.0023 46 ILE 11 CB 0.0046 0.0114 0.0043 47 ILE 11 CG1 0.0081 0.0092 0.0041 48 ILE 11 CG2 0.0082 0.0157 0.0068 49 ILE 11 CD1 0.0094 0.0140 0.0063 50 ILE 11 H -0.0063 0.0071 0.0002 51 ILE 11 HA -0.0015 0.0176 0.0055 52 ILE 11 HB 0.0041 0.0079 0.0028 53 ILE 11 HG12 0.0056 0.0065 0.0025 54 ILE 11 HG13 0.0120 0.0072 0.0042 55 ILE 11 HG21 0.0125 0.0144 0.0072 56 ILE 11 HG22 0.0066 0.0159 0.0065 57 ILE 11 HG23 0.0075 0.0196 0.0082 58 ILE 11 HD11 0.0117 0.0123 0.0061 59 ILE 11 HD12 0.0118 0.0168 0.0080 60 ILE 11 HD13 0.0054 0.0159 0.0063 61 GLY 12 N -0.0022 0.0113 0.0069 62 GLY 12 CA -0.0051 0.0139 0.0071 63 GLY 12 C -0.0022 0.0139 0.0083 64 GLY 12 O 0.0020 0.0144 0.0104 65 GLY 12 H -0.0013 0.0129 0.0082 66 GLY 12 HA2 -0.0079 0.0126 0.0052 67 GLY 12 HA3 -0.0062 0.0170 0.0085 68 ILE 13 N -0.0053 0.0173 0.0068 69 ILE 13 CA -0.0041 0.0163 0.0057 70 ILE 13 C -0.0056 0.0161 0.0061 71 ILE 13 O -0.0050 0.0151 0.0052 72 ILE 13 CB -0.0036 0.0139 0.0039 73 ILE 13 CG1 -0.0061 0.0123 0.0037 74 ILE 13 CG2 -0.0016 0.0142 0.0033 75 ILE 13 CD1 -0.0057 0.0098 0.0019 76 ILE 13 H -0.0069 0.0167 0.0070 77 ILE 13 HA -0.0025 0.0173 0.0057 78 ILE 13 HB -0.0028 0.0132 0.0031 79 ILE 13 HG12 -0.0067 0.0127 0.0042 80 ILE 13 HG13 -0.0073 0.0123 0.0042 81 ILE 13 HG21 -0.0012 0.0128 0.0022 82 ILE 13 HG22 -0.0001 0.0153 0.0035 83 ILE 13 HG23 -0.0023 0.0148 0.0040 84 ILE 13 HD11 -0.0073 0.0088 0.0018 85 ILE 13 HD12 -0.0049 0.0094 0.0013 86 ILE 13 HD13 -0.0045 0.0097 0.0014 87 GLY 14 N -0.0081 0.0023 0.0043 88 GLY 14 CA -0.0076 0.0020 0.0041 89 GLY 14 C -0.0081 0.0017 0.0047 90 GLY 14 O -0.0089 0.0018 0.0054 91 GLY 14 H -0.0087 0.0027 0.0045 92 GLY 14 HA2 -0.0074 0.0025 0.0036 93 GLY 14 HA3 -0.0070 0.0014 0.0041 94 LYS 15 N -0.0114 -0.0038 0.0025 95 LYS 15 CA -0.0076 -0.0035 0.0019 96 LYS 15 C -0.0056 -0.0008 0.0043 97 LYS 15 O -0.0063 0.0005 0.0059 98 LYS 15 CB -0.0056 -0.0053 -0.0005 99 LYS 15 CG -0.0068 -0.0081 -0.0032 100 LYS 15 CD -0.0047 -0.0098 -0.0054 101 LYS 15 CE -0.0006 -0.0090 -0.0055 102 LYS 15 NZ 0.0013 -0.0106 -0.0076 103 LYS 15 H -0.0117 -0.0043 0.0020 104 LYS 15 HA -0.0077 -0.0040 0.0014 105 LYS 15 HB2 -0.0059 -0.0050 -0.0001 106 LYS 15 HB3 -0.0030 -0.0049 -0.0006 107 LYS 15 HG2 -0.0064 -0.0085 -0.0037 108 LYS 15 HG3 -0.0094 -0.0086 -0.0031 109 LYS 15 HD2 -0.0053 -0.0115 -0.0072 110 LYS 15 HD3 -0.0055 -0.0096 -0.0051 111 LYS 15 HE2 0.0000 -0.0072 -0.0037 112 LYS 15 HE3 0.0002 -0.0092 -0.0059 113 LYS 15 HZ1 0.0005 -0.0105 -0.0074 114 LYS 15 HZ2 0.0037 -0.0100 -0.0075 115 LYS 15 HZ3 0.0010 -0.0122 -0.0093 116 LEU 16 N -0.0017 -0.0041 -0.0005 117 LEU 16 CA -0.0012 -0.0032 0.0001 118 LEU 16 C -0.0009 -0.0030 0.0002 119 LEU 16 O -0.0010 -0.0022 0.0008 120 LEU 16 CB -0.0001 -0.0030 0.0001 121 LEU 16 CG 0.0006 -0.0021 0.0006 122 LEU 16 CD1 0.0000 -0.0013 0.0013 123 LEU 16 CD2 0.0018 -0.0021 0.0004 124 LEU 16 H -0.0014 -0.0044 -0.0008 125 LEU 16 HA -0.0017 -0.0027 0.0006 126 LEU 16 HB2 -0.0003 -0.0031 0.0001 127 LEU 16 HB3 0.0004 -0.0035 -0.0004 128 LEU 16 HG 0.0007 -0.0019 0.0007 129 LEU 16 HD11 0.0005 -0.0007 0.0016 130 LEU 16 HD12 -0.0007 -0.0013 0.0014 131 LEU 16 HD13 -0.0000 -0.0014 0.0012 132 LEU 16 HD21 0.0023 -0.0015 0.0007 133 LEU 16 HD22 0.0017 -0.0022 0.0004 134 LEU 16 HD23 0.0021 -0.0026 -0.0000 135 ASP 17 N -0.0011 -0.0027 0.0031 136 ASP 17 CA 0.0010 -0.0023 0.0032 137 ASP 17 C -0.0001 -0.0024 0.0035 138 ASP 17 O 0.0015 -0.0019 0.0038 139 ASP 17 CB 0.0031 -0.0029 0.0009 140 ASP 17 CG 0.0019 -0.0042 -0.0016 141 ASP 17 OD1 0.0004 -0.0046 -0.0018 142 ASP 17 OD2 0.0025 -0.0049 -0.0035 143 ASP 17 H -0.0014 -0.0034 0.0016 144 ASP 17 HA 0.0021 -0.0015 0.0046 145 ASP 17 HB2 0.0041 -0.0028 0.0006 146 ASP 17 HB3 0.0044 -0.0026 0.0012 147 ASP 18 N -0.0010 -0.0017 0.0056 148 ASP 18 CA -0.0022 -0.0015 0.0065 149 ASP 18 C -0.0022 -0.0001 0.0090 150 ASP 18 O -0.0030 0.0002 0.0099 151 ASP 18 CB -0.0049 -0.0024 0.0062 152 ASP 18 CG -0.0052 -0.0039 0.0038 153 ASP 18 OD1 -0.0036 -0.0042 0.0025 154 ASP 18 OD2 -0.0072 -0.0047 0.0033 155 ASP 18 H -0.0018 -0.0022 0.0052 156 ASP 18 HA -0.0015 -0.0017 0.0058 157 ASP 18 HB2 -0.0056 -0.0023 0.0068 158 ASP 18 HB3 -0.0057 -0.0023 0.0069 159 PHE 19 N -0.0015 0.0010 0.0054 160 PHE 19 CA -0.0013 -0.0001 0.0060 161 PHE 19 C -0.0007 -0.0017 0.0069 162 PHE 19 O -0.0013 -0.0019 0.0079 163 PHE 19 CB -0.0025 0.0005 0.0071 164 PHE 19 CG -0.0030 0.0021 0.0063 165 PHE 19 CD1 -0.0025 0.0022 0.0055 166 PHE 19 CD2 -0.0040 0.0035 0.0062 167 PHE 19 CE1 -0.0029 0.0036 0.0046 168 PHE 19 CE2 -0.0044 0.0049 0.0054 169 PHE 19 CZ -0.0039 0.0049 0.0046 170 PHE 19 H -0.0021 0.0011 0.0060 171 PHE 19 HA -0.0006 -0.0001 0.0052 172 PHE 19 HB2 -0.0032 0.0007 0.0079 173 PHE 19 HB3 -0.0024 -0.0002 0.0076 174 PHE 19 HD1 -0.0018 0.0012 0.0055 175 PHE 19 HD2 -0.0044 0.0034 0.0067 176 PHE 19 HE1 -0.0025 0.0036 0.0041 177 PHE 19 HE2 -0.0051 0.0058 0.0054 178 PHE 19 HZ -0.0042 0.0059 0.0040 179 PRO 20 N 0.0005 -0.0012 0.0101 180 PRO 20 CA -0.0004 -0.0010 0.0097 181 PRO 20 C -0.0006 -0.0016 0.0087 182 PRO 20 O -0.0000 -0.0023 0.0084 183 PRO 20 CB -0.0003 -0.0008 0.0100 184 PRO 20 CG 0.0005 -0.0006 0.0108 185 PRO 20 CD 0.0011 -0.0012 0.0107 186 PRO 20 HA -0.0009 -0.0006 0.0098 187 PRO 20 HB2 -0.0002 -0.0012 0.0096 188 PRO 20 HB3 -0.0009 -0.0003 0.0101 189 PRO 20 HG2 0.0007 -0.0007 0.0110 190 PRO 20 HG3 0.0002 -0.0001 0.0113 191 PRO 20 HD2 0.0015 -0.0017 0.0104 192 PRO 20 HD3 0.0014 -0.0010 0.0112 193 VAL 21 N 0.0005 0.0027 0.0089 194 VAL 21 CA -0.0004 0.0009 0.0057 195 VAL 21 C 0.0003 -0.0003 0.0049 196 VAL 21 O -0.0005 0.0011 0.0058 197 VAL 21 CB -0.0036 0.0023 0.0042 198 VAL 21 CG1 -0.0046 0.0008 0.0009 199 VAL 21 CG2 -0.0040 0.0030 0.0045 200 VAL 21 H -0.0009 0.0042 0.0095 201 VAL 21 HA 0.0007 -0.0005 0.0051 202 VAL 21 HB -0.0047 0.0039 0.0050 203 VAL 21 HG11 -0.0064 0.0014 -0.0001 204 VAL 21 HG12 -0.0049 0.0009 0.0008 205 VAL 21 HG13 -0.0032 -0.0010 0.0002 206 VAL 21 HG21 -0.0060 0.0039 0.0035 207 VAL 21 HG22 -0.0028 0.0014 0.0037 208 VAL 21 HG23 -0.0034 0.0041 0.0066 209 GLY 22 N 0.0014 -0.0047 0.0028 210 GLY 22 CA 0.0018 -0.0052 0.0034 211 GLY 22 C 0.0024 -0.0053 0.0037 212 GLY 22 O 0.0028 -0.0057 0.0042 213 GLY 22 H 0.0010 -0.0048 0.0027 214 GLY 22 HA2 0.0014 -0.0057 0.0035 215 GLY 22 HA3 0.0020 -0.0052 0.0034 216 ILE 23 N 0.0018 -0.0029 0.0059 217 ILE 23 CA 0.0025 -0.0029 0.0065 218 ILE 23 C 0.0028 -0.0034 0.0067 219 ILE 23 O 0.0027 -0.0030 0.0068 220 ILE 23 CB 0.0026 -0.0020 0.0069 221 ILE 23 CG1 0.0022 -0.0016 0.0067 222 ILE 23 CG2 0.0033 -0.0020 0.0075 223 ILE 23 CD1 0.0024 -0.0008 0.0071 224 ILE 23 H 0.0016 -0.0027 0.0058 225 ILE 23 HA 0.0026 -0.0032 0.0066 226 ILE 23 HB 0.0024 -0.0017 0.0068 227 ILE 23 HG12 0.0023 -0.0020 0.0067 228 ILE 23 HG13 0.0018 -0.0015 0.0063 229 ILE 23 HG21 0.0034 -0.0014 0.0077 230 ILE 23 HG22 0.0035 -0.0022 0.0076 231 ILE 23 HG23 0.0035 -0.0023 0.0076 232 ILE 23 HD11 0.0021 -0.0005 0.0069 233 ILE 23 HD12 0.0024 -0.0004 0.0071 234 ILE 23 HD13 0.0029 -0.0009 0.0074 235 PRO 24 N 0.0033 -0.0037 0.0033 236 PRO 24 CA 0.0037 -0.0040 0.0035 237 PRO 24 C 0.0039 -0.0039 0.0041 238 PRO 24 O 0.0037 -0.0037 0.0043 239 PRO 24 CB 0.0040 -0.0043 0.0032 240 PRO 24 CG 0.0036 -0.0042 0.0027 241 PRO 24 CD 0.0032 -0.0038 0.0029 242 PRO 24 HA 0.0038 -0.0041 0.0033 243 PRO 24 HB2 0.0040 -0.0043 0.0034 244 PRO 24 HB3 0.0042 -0.0045 0.0031 245 PRO 24 HG2 0.0037 -0.0043 0.0026 246 PRO 24 HG3 0.0036 -0.0043 0.0024 247 PRO 24 HD2 0.0031 -0.0037 0.0031 248 PRO 24 HD3 0.0029 -0.0037 0.0026 249 LYS 25 N 0.0049 -0.0029 0.0040 250 LYS 25 CA 0.0062 -0.0014 0.0045 251 LYS 25 C 0.0079 -0.0006 0.0044 252 LYS 25 O 0.0074 -0.0005 0.0046 253 LYS 25 CB 0.0051 0.0001 0.0059 254 LYS 25 CG 0.0037 -0.0003 0.0062 255 LYS 25 CD 0.0049 -0.0006 0.0055 256 LYS 25 CE 0.0035 -0.0016 0.0054 257 LYS 25 NZ 0.0036 -0.0006 0.0061 258 LYS 25 H 0.0044 -0.0027 0.0043 259 LYS 25 HA 0.0068 -0.0018 0.0040 260 LYS 25 HB2 0.0043 0.0004 0.0064 261 LYS 25 HB3 0.0061 0.0012 0.0062 262 LYS 25 HG2 0.0027 -0.0014 0.0058 263 LYS 25 HG3 0.0031 0.0007 0.0071 264 LYS 25 HD2 0.0055 0.0005 0.0060 265 LYS 25 HD3 0.0059 -0.0013 0.0047 266 LYS 25 HE2 0.0040 -0.0027 0.0045 267 LYS 25 HE3 0.0022 -0.0019 0.0057 268 LYS 25 HZ1 0.0028 -0.0012 0.0059 269 LYS 25 HZ2 0.0031 0.0004 0.0069 270 LYS 25 HZ3 0.0048 -0.0003 0.0058 271 LYS 26 N 0.0121 0.0037 -0.0016 272 LYS 26 CA 0.0141 0.0053 -0.0021 273 LYS 26 C 0.0147 0.0070 -0.0004 274 LYS 26 O 0.0143 0.0069 0.0001 275 LYS 26 CB 0.0152 0.0048 -0.0046 276 LYS 26 CG 0.0172 0.0061 -0.0057 277 LYS 26 CD 0.0178 0.0051 -0.0083 278 LYS 26 CE 0.0171 0.0038 -0.0093 279 LYS 26 NZ 0.0186 0.0038 -0.0115 280 LYS 26 H 0.0118 0.0032 -0.0021 281 LYS 26 HA 0.0144 0.0057 -0.0021 282 LYS 26 HB2 0.0145 0.0036 -0.0055 283 LYS 26 HB3 0.0151 0.0048 -0.0045 284 LYS 26 HG2 0.0180 0.0072 -0.0052 285 LYS 26 HG3 0.0174 0.0066 -0.0053 286 LYS 26 HD2 0.0192 0.0060 -0.0090 287 LYS 26 HD3 0.0173 0.0043 -0.0088 288 LYS 26 HE2 0.0159 0.0026 -0.0094 289 LYS 26 HE3 0.0169 0.0043 -0.0082 290 LYS 26 HZ1 0.0192 0.0040 -0.0123 291 LYS 26 HZ2 0.0180 0.0027 -0.0124 292 LYS 26 HZ3 0.0194 0.0048 -0.0114 293 VAL 27 N 0.0137 0.0057 -0.0019 294 VAL 27 CA 0.0148 0.0109 0.0002 295 VAL 27 C 0.0180 0.0123 -0.0003 296 VAL 27 O 0.0183 0.0095 -0.0017 297 VAL 27 CB 0.0098 0.0131 0.0029 298 VAL 27 CG1 0.0066 0.0119 0.0035 299 VAL 27 CG2 0.0069 0.0112 0.0031 300 VAL 27 H 0.0131 0.0042 -0.0024 301 VAL 27 HA 0.0167 0.0123 0.0001 302 VAL 27 HB 0.0106 0.0166 0.0043 303 VAL 27 HG11 0.0036 0.0136 0.0053 304 VAL 27 HG12 0.0085 0.0130 0.0033 305 VAL 27 HG13 0.0055 0.0085 0.0023 306 VAL 27 HG21 0.0035 0.0122 0.0047 307 VAL 27 HG22 0.0066 0.0077 0.0015 308 VAL 27 HG23 0.0086 0.0126 0.0031 309 ALA 28 N 0.0234 0.0213 0.0028 310 ALA 28 CA 0.0319 0.0221 0.0032 311 ALA 28 C 0.0227 0.0230 0.0037 312 ALA 28 O 0.0112 0.0280 0.0062 313 ALA 28 CB 0.0407 0.0338 0.0088 314 ALA 28 H 0.0232 0.0281 0.0062 315 ALA 28 HA 0.0377 0.0148 -0.0005 316 ALA 28 HB1 0.0463 0.0343 0.0090 317 ALA 28 HB2 0.0467 0.0334 0.0086 318 ALA 28 HB3 0.0347 0.0410 0.0124 319 VAL 29 N 0.0229 0.0141 0.0021 320 VAL 29 CA 0.0195 0.0143 0.0017 321 VAL 29 C 0.0242 0.0162 0.0032 322 VAL 29 O 0.0290 0.0129 0.0026 323 VAL 29 CB 0.0169 0.0083 -0.0011 324 VAL 29 CG1 0.0131 0.0089 -0.0015 325 VAL 29 CG2 0.0129 0.0060 -0.0027 326 VAL 29 H 0.0262 0.0116 0.0016 327 VAL 29 HA 0.0159 0.0172 0.0023 328 VAL 29 HB 0.0205 0.0054 -0.0018 329 VAL 29 HG11 0.0109 0.0053 -0.0033 330 VAL 29 HG12 0.0160 0.0097 -0.0007 331 VAL 29 HG13 0.0100 0.0123 -0.0006 332 VAL 29 HG21 0.0110 0.0024 -0.0044 333 VAL 29 HG22 0.0095 0.0090 -0.0020 334 VAL 29 HG23 0.0155 0.0051 -0.0026 335 THR 30 N 0.0413 0.0237 0.0152 336 THR 30 CA 0.0551 0.0258 0.0257 337 THR 30 C 0.0445 0.0222 0.0170 338 THR 30 O 0.0304 0.0373 0.0111 339 THR 30 CB 0.0619 0.0504 0.0375 340 THR 30 OG1 0.0446 0.0689 0.0302 341 THR 30 CG2 0.0748 0.0525 0.0474 342 THR 30 H 0.0298 0.0326 0.0094 343 THR 30 HA 0.0668 0.0133 0.0307 344 THR 30 HB 0.0699 0.0524 0.0439 345 THR 30 HG1 0.0383 0.0694 0.0259 346 THR 30 HG21 0.0805 0.0672 0.0557 347 THR 30 HG22 0.0856 0.0390 0.0514 348 THR 30 HG23 0.0665 0.0528 0.0415 349 SER 31 N 0.0150 0.0043 0.0141 350 SER 31 CA 0.0092 0.0036 0.0108 351 SER 31 C 0.0094 0.0065 0.0081 352 SER 31 O 0.0128 0.0068 0.0101 353 SER 31 CB 0.0055 -0.0018 0.0137 354 SER 31 OG -0.0000 -0.0024 0.0106 355 SER 31 H 0.0160 0.0019 0.0170 356 SER 31 HA 0.0075 0.0048 0.0085 357 SER 31 HB2 0.0051 -0.0035 0.0151 358 SER 31 HB3 0.0073 -0.0031 0.0162 359 SER 31 HG -0.0020 -0.0054 0.0122 360 SER 32 N 0.0200 0.0143 0.0124 361 SER 32 CA 0.0159 0.0108 0.0069 362 SER 32 C 0.0074 0.0068 0.0095 363 SER 32 O 0.0035 0.0041 0.0069 364 SER 32 CB 0.0176 0.0096 -0.0021 365 SER 32 OG 0.0165 0.0088 -0.0027 366 SER 32 H 0.0218 0.0147 0.0102 367 SER 32 HA 0.0176 0.0118 0.0072 368 SER 32 HB2 0.0143 0.0070 -0.0055 369 SER 32 HB3 0.0228 0.0120 -0.0040 370 SER 32 HG 0.0178 0.0084 -0.0077 371 LYS 33 N -0.0077 -0.0101 0.0191 372 LYS 33 CA -0.0090 -0.0102 0.0193 373 LYS 33 C -0.0169 -0.0093 0.0205 374 LYS 33 O -0.0206 -0.0055 0.0212 375 LYS 33 CB -0.0047 -0.0043 0.0189 376 LYS 33 CG 0.0032 -0.0058 0.0177 377 LYS 33 CD 0.0077 0.0009 0.0173 378 LYS 33 CE 0.0154 -0.0009 0.0161 379 LYS 33 NZ 0.0204 0.0049 0.0156 380 LYS 33 H -0.0056 -0.0063 0.0190 381 LYS 33 HA -0.0076 -0.0147 0.0190 382 LYS 33 HB2 -0.0054 0.0001 0.0192 383 LYS 33 HB3 -0.0064 -0.0037 0.0192 384 LYS 33 HG2 0.0041 -0.0090 0.0175 385 LYS 33 HG3 0.0047 -0.0080 0.0174 386 LYS 33 HD2 0.0075 0.0038 0.0174 387 LYS 33 HD3 0.0058 0.0036 0.0177 388 LYS 33 HE2 0.0159 -0.0017 0.0160 389 LYS 33 HE3 0.0167 -0.0052 0.0158 390 LYS 33 HZ1 0.0248 0.0036 0.0149 391 LYS 33 HZ2 0.0200 0.0057 0.0157 392 LYS 33 HZ3 0.0194 0.0089 0.0159 393 MET 34 N -0.0175 0.0110 0.0086 394 MET 34 CA -0.0168 0.0118 0.0055 395 MET 34 C -0.0196 0.0136 0.0069 396 MET 34 O -0.0197 0.0148 0.0042 397 MET 34 CB -0.0167 0.0139 0.0008 398 MET 34 CG -0.0135 0.0122 -0.0013 399 MET 34 SD -0.0092 0.0100 -0.0043 400 MET 34 CE -0.0071 0.0062 0.0001 401 MET 34 H -0.0197 0.0127 0.0089 402 MET 34 HA -0.0143 0.0098 0.0054 403 MET 34 HB2 -0.0191 0.0158 0.0009 404 MET 34 HB3 -0.0165 0.0146 -0.0012 405 MET 34 HG2 -0.0129 0.0106 0.0011 406 MET 34 HG3 -0.0143 0.0138 -0.0034 407 MET 34 HE1 -0.0044 0.0046 -0.0011 408 MET 34 HE2 -0.0083 0.0065 0.0016 409 MET 34 HE3 -0.0075 0.0056 0.0023 410 ASP 35 N -0.0194 0.0181 0.0061 411 ASP 35 CA -0.0196 0.0193 0.0059 412 ASP 35 C -0.0161 0.0133 0.0037 413 ASP 35 O -0.0145 0.0074 0.0039 414 ASP 35 CB -0.0246 0.0200 0.0117 415 ASP 35 CG -0.0263 0.0135 0.0159 416 ASP 35 OD1 -0.0273 0.0121 0.0177 417 ASP 35 OD2 -0.0262 0.0093 0.0173 418 ASP 35 H -0.0218 0.0168 0.0094 419 ASP 35 HA -0.0187 0.0237 0.0033 420 ASP 35 HB2 -0.0247 0.0210 0.0115 421 ASP 35 HB3 -0.0268 0.0239 0.0130 422 ALA 36 N -0.0080 0.0093 0.0039 423 ALA 36 CA 0.0021 -0.0009 0.0028 424 ALA 36 C -0.0079 -0.0101 -0.0037 425 ALA 36 O -0.0048 -0.0106 -0.0030 426 ALA 36 CB 0.0140 -0.0120 0.0019 427 ALA 36 H -0.0057 0.0076 0.0039 428 ALA 36 HA 0.0082 0.0057 0.0072 429 ALA 36 HB1 0.0207 -0.0187 0.0012 430 ALA 36 HB2 0.0208 -0.0057 0.0063 431 ALA 36 HB3 0.0079 -0.0183 -0.0023 432 TRP 37 N -0.0130 -0.0157 -0.0037 433 TRP 37 CA -0.0132 -0.0142 -0.0049 434 TRP 37 C -0.0127 -0.0088 -0.0059 435 TRP 37 O -0.0117 -0.0064 -0.0044 436 TRP 37 CB -0.0151 -0.0167 -0.0092 437 TRP 37 CG -0.0154 -0.0154 -0.0106 438 TRP 37 CD1 -0.0152 -0.0178 -0.0091 439 TRP 37 CD2 -0.0159 -0.0114 -0.0137 440 TRP 37 NE1 -0.0156 -0.0156 -0.0110 441 TRP 37 CE2 -0.0160 -0.0117 -0.0138 442 TRP 37 CE3 -0.0163 -0.0077 -0.0163 443 TRP 37 CZ2 -0.0165 -0.0084 -0.0165 444 TRP 37 CZ3 -0.0168 -0.0044 -0.0190 445 TRP 37 CH2 -0.0169 -0.0048 -0.0191 446 TRP 37 H -0.0139 -0.0177 -0.0055 447 TRP 37 HA -0.0124 -0.0152 -0.0023 448 TRP 37 HB2 -0.0154 -0.0202 -0.0086 449 TRP 37 HB3 -0.0159 -0.0158 -0.0118 450 TRP 37 HD1 -0.0149 -0.0205 -0.0070 451 TRP 37 HE1 -0.0155 -0.0165 -0.0105 452 TRP 37 HE3 -0.0163 -0.0075 -0.0163 453 TRP 37 HZ2 -0.0165 -0.0086 -0.0166 454 TRP 37 HZ3 -0.0170 -0.0020 -0.0207 455 TRP 37 HH2 -0.0172 -0.0025 -0.0209 456 ASN 38 N -0.0124 0.0031 0.0041 457 ASN 38 CA -0.0132 0.0009 0.0048 458 ASN 38 C -0.0132 -0.0003 0.0028 459 ASN 38 O -0.0138 -0.0025 0.0025 460 ASN 38 CB -0.0135 0.0014 0.0072 461 ASN 38 CG -0.0141 0.0011 0.0095 462 ASN 38 OD1 -0.0148 -0.0009 0.0101 463 ASN 38 ND2 -0.0137 0.0031 0.0110 464 ASN 38 H -0.0121 0.0044 0.0048 465 ASN 38 HA -0.0136 -0.0002 0.0052 466 ASN 38 HB2 -0.0130 0.0030 0.0072 467 ASN 38 HB3 -0.0139 0.0003 0.0071 468 ASN 38 HD21 -0.0140 0.0030 0.0123 469 ASN 38 HD22 -0.0132 0.0044 0.0105 470 ILE 39 N -0.0134 -0.0011 0.0026 471 ILE 39 CA -0.0108 0.0001 0.0037 472 ILE 39 C -0.0099 -0.0037 0.0016 473 ILE 39 O -0.0105 -0.0036 0.0016 474 ILE 39 CB -0.0061 0.0019 0.0056 475 ILE 39 CG1 -0.0071 0.0059 0.0079 476 ILE 39 CG2 -0.0033 0.0027 0.0065 477 ILE 39 CD1 -0.0025 0.0075 0.0095 478 ILE 39 H -0.0120 -0.0008 0.0030 479 ILE 39 HA -0.0127 0.0022 0.0047 480 ILE 39 HB -0.0042 -0.0000 0.0047 481 ILE 39 HG12 -0.0085 0.0081 0.0089 482 ILE 39 HG13 -0.0093 0.0054 0.0072 483 ILE 39 HG21 -0.0007 0.0044 0.0079 484 ILE 39 HG22 -0.0021 0.0001 0.0051 485 ILE 39 HG23 -0.0055 0.0042 0.0071 486 ILE 39 HD11 -0.0034 0.0099 0.0108 487 ILE 39 HD12 -0.0009 0.0052 0.0084 488 ILE 39 HD13 -0.0004 0.0083 0.0103 489 PHE 40 N -0.0062 -0.0040 -0.0061 490 PHE 40 CA -0.0035 -0.0108 -0.0068 491 PHE 40 C -0.0108 -0.0098 -0.0116 492 PHE 40 O -0.0092 -0.0086 -0.0100 493 PHE 40 CB -0.0012 -0.0216 -0.0092 494 PHE 40 CG 0.0008 -0.0295 -0.0107 495 PHE 40 CD1 0.0094 -0.0325 -0.0057 496 PHE 40 CD2 -0.0057 -0.0343 -0.0172 497 PHE 40 CE1 0.0113 -0.0399 -0.0071 498 PHE 40 CE2 -0.0038 -0.0417 -0.0186 499 PHE 40 CZ 0.0048 -0.0446 -0.0135 500 PHE 40 H -0.0062 -0.0072 -0.0074 501 PHE 40 HA 0.0016 -0.0092 -0.0025 502 PHE 40 HB2 0.0039 -0.0221 -0.0057 503 PHE 40 HB3 -0.0063 -0.0227 -0.0133 504 PHE 40 HD1 0.0138 -0.0294 -0.0013 505 PHE 40 HD2 -0.0115 -0.0323 -0.0206 506 PHE 40 HE1 0.0170 -0.0418 -0.0037 507 PHE 40 HE2 -0.0083 -0.0448 -0.0229 508 PHE 40 HZ 0.0063 -0.0500 -0.0145 509 GLU 41 N -0.0129 -0.0064 -0.0148 510 GLU 41 CA -0.0139 -0.0044 -0.0169 511 GLU 41 C -0.0132 0.0007 -0.0165 512 GLU 41 O -0.0131 0.0026 -0.0166 513 GLU 41 CB -0.0165 -0.0056 -0.0212 514 GLU 41 CG -0.0176 -0.0070 -0.0228 515 GLU 41 CD -0.0169 -0.0113 -0.0210 516 GLU 41 OE1 -0.0158 -0.0137 -0.0188 517 GLU 41 OE2 -0.0174 -0.0124 -0.0217 518 GLU 41 H -0.0138 -0.0076 -0.0163 519 GLU 41 HA -0.0134 -0.0056 -0.0158 520 GLU 41 HB2 -0.0169 -0.0081 -0.0214 521 GLU 41 HB3 -0.0172 -0.0030 -0.0227 522 GLU 41 HG2 -0.0193 -0.0074 -0.0256 523 GLU 41 HG3 -0.0172 -0.0046 -0.0224 524 GLY 42 N -0.0020 0.0038 -0.0022 525 GLY 42 CA 0.0011 0.0065 -0.0033 526 GLY 42 C 0.0030 0.0079 0.0004 527 GLY 42 O 0.0060 0.0104 0.0004 528 GLY 42 H -0.0037 0.0024 -0.0034 529 GLY 42 HA2 0.0025 0.0078 -0.0044 530 GLY 42 HA3 0.0006 0.0063 -0.0056 531 LEU 43 N -0.0083 -0.0034 -0.0055 532 LEU 43 CA -0.0138 -0.0013 -0.0051 533 LEU 43 C -0.0148 0.0041 -0.0081 534 LEU 43 O -0.0194 0.0063 -0.0079 535 LEU 43 CB -0.0153 -0.0030 -0.0036 536 LEU 43 CG -0.0153 -0.0084 -0.0003 537 LEU 43 CD1 -0.0151 -0.0097 0.0004 538 LEU 43 CD2 -0.0205 -0.0097 0.0021 539 LEU 43 H -0.0064 -0.0043 -0.0056 540 LEU 43 HA -0.0162 -0.0024 -0.0036 541 LEU 43 HB2 -0.0127 -0.0021 -0.0050 542 LEU 43 HB3 -0.0189 -0.0013 -0.0035 543 LEU 43 HG -0.0122 -0.0101 -0.0002 544 LEU 43 HD11 -0.0152 -0.0131 0.0025 545 LEU 43 HD12 -0.0118 -0.0090 -0.0011 546 LEU 43 HD13 -0.0182 -0.0079 0.0003 547 LEU 43 HD21 -0.0205 -0.0131 0.0042 548 LEU 43 HD22 -0.0236 -0.0079 0.0020 549 LEU 43 HD23 -0.0205 -0.0089 0.0016 550 VAL 44 N -0.0080 0.0033 -0.0149 551 VAL 44 CA -0.0074 0.0066 -0.0134 552 VAL 44 C -0.0047 0.0100 -0.0167 553 VAL 44 O -0.0037 0.0141 -0.0153 554 VAL 44 CB -0.0088 0.0039 -0.0125 555 VAL 44 CG1 -0.0086 0.0002 -0.0165 556 VAL 44 CG2 -0.0078 0.0073 -0.0117 557 VAL 44 H -0.0080 0.0012 -0.0171 558 VAL 44 HA -0.0079 0.0083 -0.0105 559 VAL 44 HB -0.0105 0.0025 -0.0098 560 VAL 44 HG11 -0.0085 0.0000 -0.0169 561 VAL 44 HG12 -0.0101 -0.0027 -0.0158 562 VAL 44 HG13 -0.0072 0.0010 -0.0192 563 VAL 44 HG21 -0.0090 0.0059 -0.0103 564 VAL 44 HG22 -0.0063 0.0082 -0.0146 565 VAL 44 HG23 -0.0076 0.0101 -0.0097 566 VAL 44 N -0.0081 0.0032 -0.0150 567 VAL 44 CA -0.0075 0.0063 -0.0134 568 VAL 44 C -0.0048 0.0097 -0.0167 569 VAL 44 O -0.0040 0.0135 -0.0151 570 VAL 44 CB -0.0090 0.0036 -0.0123 571 VAL 44 CG1 -0.0117 0.0008 -0.0083 572 VAL 44 CG2 -0.0084 0.0006 -0.0166 573 VAL 44 H -0.0080 0.0011 -0.0172 574 VAL 44 HA -0.0080 0.0081 -0.0105 575 VAL 44 HB -0.0086 0.0058 -0.0112 576 VAL 44 HG11 -0.0124 0.0015 -0.0060 577 VAL 44 HG12 -0.0120 0.0016 -0.0070 578 VAL 44 HG13 -0.0125 -0.0025 -0.0095 579 VAL 44 HG21 -0.0098 -0.0019 -0.0156 580 VAL 44 HG22 -0.0082 -0.0006 -0.0184 581 VAL 44 HG23 -0.0070 0.0025 -0.0183 582 MET 45 N 0.0069 0.0053 -0.0127 583 MET 45 CA 0.0076 0.0050 -0.0121 584 MET 45 C 0.0085 0.0061 -0.0148 585 MET 45 O 0.0072 0.0066 -0.0156 586 MET 45 CB 0.0049 0.0045 -0.0109 587 MET 45 CG 0.0038 0.0034 -0.0082 588 MET 45 SD 0.0057 0.0019 -0.0052 589 MET 45 CE 0.0047 0.0019 -0.0050 590 MET 45 H 0.0054 0.0058 -0.0137 591 MET 45 HA 0.0092 0.0043 -0.0108 592 MET 45 HB2 0.0033 0.0052 -0.0122 593 MET 45 HB3 0.0055 0.0044 -0.0106 594 MET 45 HG2 0.0040 0.0034 -0.0082 595 MET 45 HG3 0.0017 0.0033 -0.0079 596 MET 45 HE1 0.0055 0.0011 -0.0033 597 MET 45 HE2 0.0025 0.0019 -0.0048 598 MET 45 HE3 0.0054 0.0026 -0.0066 599 GLY 46 N 0.0233 0.0189 -0.0176 600 GLY 46 CA 0.0241 0.0189 -0.0200 601 GLY 46 C 0.0266 0.0190 -0.0203 602 GLY 46 O 0.0274 0.0190 -0.0223 603 GLY 46 H 0.0237 0.0189 -0.0169 604 GLY 46 HA2 0.0232 0.0188 -0.0207 605 GLY 46 HA3 0.0237 0.0188 -0.0207 606 SER 47 N 0.0231 0.0114 -0.0120 607 SER 47 CA 0.0225 0.0103 -0.0117 608 SER 47 C 0.0199 0.0063 -0.0105 609 SER 47 O 0.0197 0.0036 -0.0102 610 SER 47 CB 0.0267 0.0095 -0.0130 611 SER 47 OG 0.0292 0.0064 -0.0136 612 SER 47 H 0.0229 0.0093 -0.0118 613 SER 47 HA 0.0211 0.0127 -0.0115 614 SER 47 HB2 0.0262 0.0084 -0.0128 615 SER 47 HB3 0.0282 0.0122 -0.0138 616 SER 47 HG 0.0316 0.0073 -0.0144 617 VAL 48 N 0.0158 0.0023 -0.0041 618 VAL 48 CA 0.0127 -0.0006 -0.0041 619 VAL 48 C 0.0120 -0.0014 -0.0042 620 VAL 48 O 0.0129 0.0010 -0.0039 621 VAL 48 CB 0.0089 0.0006 -0.0033 622 VAL 48 CG1 0.0092 0.0009 -0.0033 623 VAL 48 CG2 0.0076 0.0044 -0.0024 624 VAL 48 H 0.0157 0.0042 -0.0038 625 VAL 48 HA 0.0135 -0.0030 -0.0047 626 VAL 48 HB 0.0069 -0.0013 -0.0033 627 VAL 48 HG11 0.0068 0.0017 -0.0028 628 VAL 48 HG12 0.0099 -0.0016 -0.0039 629 VAL 48 HG13 0.0112 0.0028 -0.0033 630 VAL 48 HG21 0.0053 0.0053 -0.0019 631 VAL 48 HG22 0.0096 0.0064 -0.0024 632 VAL 48 HG23 0.0069 0.0041 -0.0024 633 TRP 49 N 0.0092 -0.0023 0.0005 634 TRP 49 CA 0.0080 -0.0023 0.0003 635 TRP 49 C 0.0067 -0.0020 0.0004 636 TRP 49 O 0.0065 -0.0026 -0.0001 637 TRP 49 CB 0.0079 -0.0034 -0.0006 638 TRP 49 CG 0.0089 -0.0036 -0.0007 639 TRP 49 CD1 0.0100 -0.0043 -0.0012 640 TRP 49 CD2 0.0088 -0.0031 -0.0003 641 TRP 49 NE1 0.0107 -0.0043 -0.0011 642 TRP 49 CE2 0.0099 -0.0036 -0.0006 643 TRP 49 CE3 0.0078 -0.0024 0.0002 644 TRP 49 CZ2 0.0101 -0.0033 -0.0003 645 TRP 49 CZ3 0.0080 -0.0021 0.0005 646 TRP 49 CH2 0.0092 -0.0026 0.0002 647 TRP 49 H 0.0094 -0.0029 -0.0000 648 TRP 49 HA 0.0081 -0.0017 0.0008 649 TRP 49 HB2 0.0081 -0.0039 -0.0010 650 TRP 49 HB3 0.0070 -0.0034 -0.0008 651 TRP 49 HD1 0.0104 -0.0048 -0.0015 652 TRP 49 HE1 0.0114 -0.0047 -0.0013 653 TRP 49 HE3 0.0071 -0.0021 0.0004 654 TRP 49 HZ2 0.0109 -0.0036 -0.0005 655 TRP 49 HZ3 0.0074 -0.0016 0.0008 656 TRP 49 HH2 0.0093 -0.0024 0.0004 657 VAL 50 N 0.0028 -0.0018 0.0025 658 VAL 50 CA 0.0005 -0.0013 0.0030 659 VAL 50 C 0.0004 -0.0028 0.0033 660 VAL 50 O 0.0021 -0.0027 0.0029 661 VAL 50 CB 0.0002 0.0015 0.0024 662 VAL 50 CG1 -0.0023 0.0020 0.0029 663 VAL 50 CG2 0.0005 0.0030 0.0020 664 VAL 50 H 0.0040 -0.0013 0.0021 665 VAL 50 HA -0.0008 -0.0017 0.0034 666 VAL 50 HB 0.0014 0.0019 0.0021 667 VAL 50 HG11 -0.0026 0.0038 0.0026 668 VAL 50 HG12 -0.0023 0.0014 0.0031 669 VAL 50 HG13 -0.0036 0.0013 0.0034 670 VAL 50 HG21 0.0001 0.0048 0.0018 671 VAL 50 HG22 -0.0007 0.0025 0.0024 672 VAL 50 HG23 0.0022 0.0028 0.0017 673 ILE 51 N 0.0007 -0.0038 0.0035 674 ILE 51 CA 0.0007 -0.0041 0.0036 675 ILE 51 C -0.0005 -0.0037 0.0033 676 ILE 51 O -0.0014 -0.0043 0.0034 677 ILE 51 CB 0.0008 -0.0054 0.0040 678 ILE 51 CG1 0.0018 -0.0059 0.0043 679 ILE 51 CG2 0.0011 -0.0056 0.0041 680 ILE 51 CD1 0.0013 -0.0066 0.0045 681 ILE 51 H 0.0001 -0.0041 0.0035 682 ILE 51 HA 0.0014 -0.0037 0.0035 683 ILE 51 HB 0.0001 -0.0058 0.0041 684 ILE 51 HG12 0.0023 -0.0063 0.0045 685 ILE 51 HG13 0.0023 -0.0053 0.0042 686 ILE 51 HG21 0.0012 -0.0064 0.0044 687 ILE 51 HG22 0.0004 -0.0053 0.0040 688 ILE 51 HG23 0.0018 -0.0052 0.0041 689 ILE 51 HD11 0.0020 -0.0069 0.0047 690 ILE 51 HD12 0.0008 -0.0062 0.0043 691 ILE 51 HD13 0.0009 -0.0073 0.0047 692 ARG 52 N -0.0002 -0.0021 0.0024 693 ARG 52 CA 0.0003 -0.0027 0.0037 694 ARG 52 C 0.0000 -0.0029 0.0036 695 ARG 52 O -0.0009 -0.0034 0.0028 696 ARG 52 CB -0.0001 -0.0040 0.0045 697 ARG 52 CG 0.0004 -0.0047 0.0060 698 ARG 52 CD -0.0003 -0.0060 0.0065 699 ARG 52 NE 0.0000 -0.0069 0.0079 700 ARG 52 CZ -0.0005 -0.0081 0.0085 701 ARG 52 NH1 -0.0013 -0.0086 0.0080 702 ARG 52 NH2 -0.0001 -0.0087 0.0098 703 ARG 52 H -0.0008 -0.0027 0.0021 704 ARG 52 HA 0.0011 -0.0021 0.0042 705 ARG 52 HB2 0.0001 -0.0038 0.0046 706 ARG 52 HB3 -0.0009 -0.0046 0.0040 707 ARG 52 HG2 0.0003 -0.0048 0.0060 708 ARG 52 HG3 0.0012 -0.0042 0.0066 709 ARG 52 HD2 -0.0002 -0.0059 0.0065 710 ARG 52 HD3 -0.0011 -0.0065 0.0059 711 ARG 52 HE 0.0006 -0.0065 0.0083 712 ARG 52 HH11 -0.0015 -0.0082 0.0072 713 ARG 52 HH12 -0.0016 -0.0094 0.0084 714 ARG 52 HH21 0.0004 -0.0084 0.0101 715 ARG 52 HH22 -0.0004 -0.0095 0.0102 716 GLN 53 N 0.0005 -0.0018 0.0010 717 GLN 53 CA 0.0004 0.0011 -0.0019 718 GLN 53 C -0.0001 0.0022 -0.0025 719 GLN 53 O 0.0003 0.0004 -0.0011 720 GLN 53 CB 0.0031 0.0003 -0.0049 721 GLN 53 CG 0.0040 -0.0016 -0.0041 722 GLN 53 CD 0.0022 0.0004 -0.0037 723 GLN 53 OE1 0.0014 0.0033 -0.0056 724 GLN 53 NE2 0.0015 -0.0010 -0.0012 725 GLN 53 H 0.0021 -0.0035 0.0006 726 GLN 53 HA -0.0011 0.0029 -0.0017 727 GLN 53 HB2 0.0045 -0.0009 -0.0056 728 GLN 53 HB3 0.0028 0.0024 -0.0067 729 GLN 53 HG2 0.0040 -0.0035 -0.0021 730 GLN 53 HG3 0.0059 -0.0023 -0.0060 731 GLN 53 HE21 0.0020 -0.0029 0.0000 732 GLN 53 HE22 0.0004 0.0001 -0.0009 733 LYS 54 N -0.0203 -0.0339 -0.0075 734 LYS 54 CA -0.0431 0.0061 -0.0233 735 LYS 54 C -0.0840 0.0158 -0.0504 736 LYS 54 O -0.1020 0.0544 -0.0630 737 LYS 54 CB -0.0522 -0.0061 -0.0290 738 LYS 54 CG -0.0166 0.0020 -0.0058 739 LYS 54 CD -0.0242 -0.0222 -0.0103 740 LYS 54 CE 0.0155 -0.0433 0.0162 741 LYS 54 NZ 0.0489 -0.0057 0.0374 742 LYS 54 H -0.0170 -0.0589 -0.0048 743 LYS 54 HA -0.0262 0.0355 -0.0128 744 LYS 54 HB2 -0.0602 -0.0405 -0.0336 745 LYS 54 HB3 -0.0745 0.0144 -0.0441 746 LYS 54 HG2 -0.0125 0.0369 -0.0038 747 LYS 54 HG3 0.0080 -0.0120 0.0107 748 LYS 54 HD2 -0.0441 -0.0488 -0.0228 749 LYS 54 HD3 -0.0343 0.0019 -0.0175 750 LYS 54 HE2 0.0250 -0.0689 0.0230 751 LYS 54 HE3 0.0102 -0.0569 0.0130 752 LYS 54 HZ1 0.0715 -0.0195 0.0526 753 LYS 54 HZ2 0.0412 0.0179 0.0319 754 LYS 54 HZ3 0.0544 0.0075 0.0408 755 ASP 55 N -0.0094 0.0062 -0.0147 756 ASP 55 CA 0.0301 -0.0041 0.0068 757 ASP 55 C 0.0511 -0.0239 0.0388 758 ASP 55 O 0.0876 -0.0323 0.0570 759 ASP 55 CB 0.0673 0.0189 -0.0205 760 ASP 55 CG 0.0936 0.0324 -0.0357 761 ASP 55 OD1 0.0753 0.0302 -0.0354 762 ASP 55 OD2 0.1328 0.0453 -0.0479 763 ASP 55 H -0.0014 0.0194 -0.0324 764 ASP 55 HA 0.0193 -0.0136 0.0187 765 ASP 55 HB2 0.0897 0.0120 -0.0067 766 ASP 55 HB3 0.0524 0.0324 -0.0424 767 ASP 56 N 0.0131 -0.0072 0.0065 768 ASP 56 CA 0.0139 -0.0107 0.0096 769 ASP 56 C 0.0191 -0.0063 0.0081 770 ASP 56 O 0.0208 -0.0090 0.0108 771 ASP 56 CB 0.0167 -0.0173 0.0160 772 ASP 56 CG 0.0103 -0.0228 0.0179 773 ASP 56 OD1 0.0032 -0.0220 0.0146 774 ASP 56 OD2 0.0123 -0.0279 0.0228 775 ASP 56 H 0.0084 -0.0063 0.0039 776 ASP 56 HA 0.0085 -0.0119 0.0085 777 ASP 56 HB2 0.0214 -0.0165 0.0171 778 ASP 56 HB3 0.0181 -0.0188 0.0178 779 SER 57 N 0.0125 -0.0059 -0.0025 780 SER 57 CA 0.0121 -0.0058 -0.0024 781 SER 57 C 0.0071 -0.0052 -0.0008 782 SER 57 O 0.0041 -0.0039 -0.0001 783 SER 57 CB 0.0144 -0.0016 -0.0040 784 SER 57 OG 0.0123 0.0027 -0.0042 785 SER 57 H 0.0136 -0.0035 -0.0034 786 SER 57 HA 0.0135 -0.0087 -0.0023 787 SER 57 HB2 0.0142 -0.0018 -0.0039 788 SER 57 HB3 0.0176 -0.0018 -0.0051 789 SER 57 HG 0.0135 0.0050 -0.0051 790 LEU 58 N -0.0031 -0.0005 -0.0008 791 LEU 58 CA -0.0023 -0.0007 -0.0003 792 LEU 58 C -0.0025 -0.0017 0.0004 793 LEU 58 O -0.0034 -0.0023 0.0002 794 LEU 58 CB -0.0021 -0.0000 -0.0006 795 LEU 58 CG -0.0019 0.0011 -0.0012 796 LEU 58 CD1 -0.0028 0.0014 -0.0019 797 LEU 58 CD2 -0.0009 0.0016 -0.0010 798 LEU 58 H -0.0038 -0.0007 -0.0010 799 LEU 58 HA -0.0017 -0.0005 -0.0000 800 LEU 58 HB2 -0.0027 -0.0002 -0.0008 801 LEU 58 HB3 -0.0015 -0.0001 -0.0002 802 LEU 58 HG -0.0019 0.0012 -0.0013 803 LEU 58 HD11 -0.0026 0.0021 -0.0023 804 LEU 58 HD12 -0.0034 0.0011 -0.0020 805 LEU 58 HD13 -0.0028 0.0012 -0.0018 806 LEU 58 HD21 -0.0008 0.0023 -0.0015 807 LEU 58 HD22 -0.0008 0.0015 -0.0009 808 LEU 58 HD23 -0.0003 0.0014 -0.0006 809 LYS 59 N -0.0030 -0.0053 0.0018 810 LYS 59 CA -0.0037 -0.0067 0.0034 811 LYS 59 C -0.0022 -0.0056 0.0021 812 LYS 59 O 0.0006 -0.0047 0.0011 813 LYS 59 CB -0.0023 -0.0091 0.0059 814 LYS 59 CG -0.0042 -0.0105 0.0075 815 LYS 59 CD -0.0021 -0.0125 0.0096 816 LYS 59 CE -0.0040 -0.0137 0.0109 817 LYS 59 NZ -0.0058 -0.0157 0.0131 818 LYS 59 H -0.0009 -0.0052 0.0016 819 LYS 59 HA -0.0061 -0.0068 0.0036 820 LYS 59 HB2 0.0000 -0.0090 0.0057 821 LYS 59 HB3 -0.0024 -0.0099 0.0067 822 LYS 59 HG2 -0.0062 -0.0110 0.0081 823 LYS 59 HG3 -0.0048 -0.0095 0.0064 824 LYS 59 HD2 -0.0000 -0.0120 0.0089 825 LYS 59 HD3 -0.0018 -0.0136 0.0107 826 LYS 59 HE2 -0.0056 -0.0126 0.0098 827 LYS 59 HE3 -0.0024 -0.0142 0.0114 828 LYS 59 HZ1 -0.0043 -0.0167 0.0142 829 LYS 59 HZ2 -0.0073 -0.0153 0.0128 830 LYS 59 HZ3 -0.0069 -0.0164 0.0139 831 VAL 60 N -0.0034 -0.0060 0.0017 832 VAL 60 CA -0.0009 -0.0046 0.0014 833 VAL 60 C 0.0001 -0.0071 0.0022 834 VAL 60 O -0.0020 -0.0085 0.0025 835 VAL 60 CB -0.0022 -0.0017 0.0005 836 VAL 60 CG1 0.0004 -0.0005 0.0003 837 VAL 60 CG2 -0.0031 0.0008 -0.0002 838 VAL 60 H -0.0049 -0.0070 0.0019 839 VAL 60 HA 0.0010 -0.0040 0.0014 840 VAL 60 HB -0.0041 -0.0022 0.0006 841 VAL 60 HG11 -0.0001 0.0016 -0.0003 842 VAL 60 HG12 0.0004 -0.0019 0.0007 843 VAL 60 HG13 0.0025 -0.0006 0.0004 844 VAL 60 HG21 -0.0036 0.0027 -0.0008 845 VAL 60 HG22 -0.0014 0.0012 -0.0003 846 VAL 60 HG23 -0.0051 0.0002 -0.0001 847 PHE 61 N 0.0013 -0.0070 0.0033 848 PHE 61 CA 0.0024 -0.0088 0.0038 849 PHE 61 C 0.0046 -0.0074 0.0030 850 PHE 61 O 0.0062 -0.0058 0.0022 851 PHE 61 CB 0.0039 -0.0115 0.0045 852 PHE 61 CG 0.0020 -0.0131 0.0053 853 PHE 61 CD1 0.0000 -0.0147 0.0062 854 PHE 61 CD2 0.0023 -0.0131 0.0053 855 PHE 61 CE1 -0.0018 -0.0162 0.0069 856 PHE 61 CE2 0.0005 -0.0146 0.0060 857 PHE 61 CZ -0.0015 -0.0162 0.0069 858 PHE 61 H 0.0027 -0.0064 0.0029 859 PHE 61 HA 0.0008 -0.0093 0.0042 860 PHE 61 HB2 0.0056 -0.0110 0.0041 861 PHE 61 HB3 0.0046 -0.0126 0.0048 862 PHE 61 HD1 -0.0002 -0.0148 0.0062 863 PHE 61 HD2 0.0036 -0.0120 0.0047 864 PHE 61 HE1 -0.0031 -0.0173 0.0075 865 PHE 61 HE2 0.0007 -0.0146 0.0060 866 PHE 61 HZ -0.0027 -0.0172 0.0074 867 SER 62 N 0.0077 -0.0063 -0.0003 868 SER 62 CA 0.0095 -0.0054 -0.0015 869 SER 62 C 0.0118 -0.0068 -0.0021 870 SER 62 O 0.0120 -0.0089 -0.0013 871 SER 62 CB 0.0090 -0.0054 -0.0013 872 SER 62 OG 0.0107 -0.0045 -0.0025 873 SER 62 H 0.0067 -0.0067 0.0004 874 SER 62 HA 0.0095 -0.0038 -0.0022 875 SER 62 HB2 0.0076 -0.0045 -0.0010 876 SER 62 HB3 0.0091 -0.0070 -0.0006 877 SER 62 HG 0.0113 -0.0037 -0.0032 878 THR 63 N 0.0138 -0.0015 -0.0053 879 THR 63 CA 0.0158 -0.0027 -0.0061 880 THR 63 C 0.0162 -0.0032 -0.0061 881 THR 63 O 0.0177 -0.0044 -0.0066 882 THR 63 CB 0.0171 -0.0016 -0.0080 883 THR 63 OG1 0.0165 0.0003 -0.0089 884 THR 63 CG2 0.0170 -0.0014 -0.0081 885 THR 63 H 0.0136 -0.0003 -0.0060 886 THR 63 HA 0.0162 -0.0040 -0.0055 887 THR 63 HB 0.0184 -0.0025 -0.0085 888 THR 63 HG1 0.0171 0.0010 -0.0099 889 THR 63 HG21 0.0178 -0.0006 -0.0094 890 THR 63 HG22 0.0175 -0.0027 -0.0076 891 THR 63 HG23 0.0157 -0.0006 -0.0076 892 ASN 64 N 0.0098 -0.0020 -0.0050 893 ASN 64 CA 0.0093 -0.0014 -0.0050 894 ASN 64 C 0.0093 -0.0026 -0.0028 895 ASN 64 O 0.0082 -0.0025 -0.0008 896 ASN 64 CB 0.0075 0.0009 -0.0052 897 ASN 64 CG 0.0069 0.0017 -0.0055 898 ASN 64 OD1 0.0078 0.0015 -0.0072 899 ASN 64 ND2 0.0053 0.0027 -0.0040 900 ASN 64 H 0.0089 -0.0013 -0.0043 901 ASN 64 HA 0.0102 -0.0017 -0.0064 902 ASN 64 HB2 0.0075 0.0016 -0.0065 903 ASN 64 HB3 0.0066 0.0011 -0.0037 904 ASN 64 HD21 0.0049 0.0032 -0.0041 905 ASN 64 HD22 0.0047 0.0028 -0.0029 906 ASN 64 N 0.0098 -0.0019 -0.0050 907 ASN 64 CA 0.0094 -0.0015 -0.0050 908 ASN 64 C 0.0094 -0.0028 -0.0028 909 ASN 64 O 0.0086 -0.0029 -0.0008 910 ASN 64 CB 0.0077 0.0007 -0.0053 911 ASN 64 CG 0.0077 0.0020 -0.0077 912 ASN 64 OD1 0.0091 0.0014 -0.0095 913 ASN 64 ND2 0.0061 0.0039 -0.0078 914 ASN 64 H 0.0089 -0.0012 -0.0045 915 ASN 64 HA 0.0104 -0.0019 -0.0064 916 ASN 64 HB2 0.0068 0.0011 -0.0041 917 ASN 64 HB3 0.0074 0.0009 -0.0050 918 ASN 64 HD21 0.0061 0.0047 -0.0091 919 ASN 64 HD22 0.0052 0.0043 -0.0065 920 CYS 65 N 0.0039 -0.0002 -0.0068 921 CYS 65 CA 0.0042 0.0004 -0.0061 922 CYS 65 C 0.0036 0.0002 -0.0058 923 CYS 65 O 0.0027 -0.0003 -0.0056 924 CYS 65 CB 0.0041 0.0009 -0.0051 925 CYS 65 SG 0.0045 0.0017 -0.0042 926 CYS 65 HA 0.0049 0.0007 -0.0064 927 CYS 65 HB2 0.0046 0.0011 -0.0053 928 CYS 65 HB3 0.0035 0.0006 -0.0049 929 CYS 65 H 0.0037 -0.0002 -0.0066 930 CYS 65 H 0.0036 -0.0002 -0.0066 931 PRO 66 N -0.0005 -0.0078 0.0040 932 PRO 66 CA -0.0006 -0.0087 0.0037 933 PRO 66 C 0.0002 -0.0099 0.0036 934 PRO 66 O 0.0003 -0.0106 0.0034 935 PRO 66 CB -0.0020 -0.0090 0.0032 936 PRO 66 CG -0.0024 -0.0088 0.0032 937 PRO 66 CD -0.0017 -0.0076 0.0037 938 PRO 66 HA -0.0005 -0.0083 0.0038 939 PRO 66 HB2 -0.0021 -0.0099 0.0030 940 PRO 66 HB3 -0.0025 -0.0085 0.0033 941 PRO 66 HG2 -0.0021 -0.0095 0.0031 942 PRO 66 HG3 -0.0033 -0.0086 0.0031 943 PRO 66 HD2 -0.0015 -0.0076 0.0038 944 PRO 66 HD3 -0.0022 -0.0069 0.0038 945 HIS 67 N -0.0043 -0.0049 0.0018 946 HIS 67 CA -0.0062 -0.0038 0.0040 947 HIS 67 C -0.0089 -0.0057 0.0043 948 HIS 67 O -0.0102 -0.0064 0.0045 949 HIS 67 CB -0.0058 -0.0018 0.0054 950 HIS 67 CG -0.0077 -0.0007 0.0077 951 HIS 67 ND1 -0.0090 -0.0002 0.0089 952 HIS 67 CD2 -0.0087 0.0001 0.0090 953 HIS 67 CE1 -0.0106 0.0008 0.0108 954 HIS 67 NE2 -0.0105 0.0010 0.0109 955 HIS 67 H -0.0036 -0.0046 0.0016 956 HIS 67 HA -0.0061 -0.0031 0.0045 957 HIS 67 HB2 -0.0042 -0.0006 0.0053 958 HIS 67 HB3 -0.0059 -0.0024 0.0050 959 HIS 67 HD2 -0.0082 0.0001 0.0086 960 HIS 67 HE1 -0.0116 0.0013 0.0119 961 HIS 67 HE2 -0.0114 0.0016 0.0120 962 LEU 68 N -0.0124 0.0045 -0.0080 963 LEU 68 CA -0.0195 0.0078 -0.0158 964 LEU 68 C -0.0168 0.0098 -0.0312 965 LEU 68 O -0.0184 0.0116 -0.0389 966 LEU 68 CB -0.0167 0.0062 -0.0110 967 LEU 68 CG -0.0229 0.0054 0.0029 968 LEU 68 CD1 -0.0191 0.0037 0.0068 969 LEU 68 CD2 -0.0380 0.0095 0.0035 970 LEU 68 H -0.0043 0.0027 -0.0108 971 LEU 68 HA -0.0290 0.0102 -0.0142 972 LEU 68 HB2 -0.0072 0.0035 -0.0107 973 LEU 68 HB3 -0.0202 0.0083 -0.0175 974 LEU 68 HG -0.0195 0.0033 0.0093 975 LEU 68 HD11 -0.0232 0.0032 0.0156 976 LEU 68 HD12 -0.0095 0.0010 0.0070 977 LEU 68 HD13 -0.0223 0.0058 0.0000 978 LEU 68 HD21 -0.0415 0.0090 0.0117 979 LEU 68 HD22 -0.0414 0.0118 -0.0044 980 LEU 68 HD23 -0.0404 0.0101 0.0036 981 GLY 69 N -0.0048 0.0058 -0.0133 982 GLY 69 CA -0.0049 0.0067 -0.0165 983 GLY 69 C -0.0021 0.0052 -0.0195 984 GLY 69 O -0.0021 0.0061 -0.0225 985 GLY 69 H -0.0042 0.0048 -0.0114 986 GLY 69 HA2 -0.0052 0.0067 -0.0155 987 GLY 69 HA3 -0.0066 0.0084 -0.0177 988 CYS 70 N 0.0035 0.0091 -0.0170 989 CYS 70 CA 0.0053 0.0078 -0.0189 990 CYS 70 C 0.0069 0.0067 -0.0192 991 CYS 70 O 0.0070 0.0069 -0.0176 992 CYS 70 CB 0.0067 0.0071 -0.0180 993 CYS 70 SG 0.0050 0.0080 -0.0183 994 CYS 70 H 0.0036 0.0093 -0.0155 995 CYS 70 HA 0.0044 0.0080 -0.0206 996 CYS 70 HB2 0.0072 0.0070 -0.0161 997 CYS 70 HB3 0.0080 0.0061 -0.0191 998 GLY 71 N 0.0115 0.0081 -0.0098 999 GLY 71 CA 0.0131 0.0065 -0.0096 1000 GLY 71 C 0.0143 0.0068 -0.0089 1001 GLY 71 O 0.0137 0.0072 -0.0091 1002 GLY 71 H 0.0104 0.0077 -0.0105 1003 GLY 71 HA2 0.0138 0.0065 -0.0093 1004 GLY 71 HA3 0.0126 0.0053 -0.0103 1005 ILE 72 N 0.0106 0.0051 -0.0027 1006 ILE 72 CA 0.0096 0.0038 -0.0026 1007 ILE 72 C 0.0099 0.0055 -0.0027 1008 ILE 72 O 0.0093 0.0077 -0.0030 1009 ILE 72 CB 0.0069 0.0032 -0.0024 1010 ILE 72 CG1 0.0066 0.0013 -0.0022 1011 ILE 72 CG2 0.0057 0.0023 -0.0023 1012 ILE 72 CD1 0.0039 0.0008 -0.0021 1013 ILE 72 H 0.0095 0.0059 -0.0028 1014 ILE 72 HA 0.0106 0.0023 -0.0024 1015 ILE 72 HB 0.0060 0.0047 -0.0026 1016 ILE 72 HG12 0.0073 -0.0002 -0.0021 1017 ILE 72 HG13 0.0074 0.0019 -0.0023 1018 ILE 72 HG21 0.0040 0.0018 -0.0022 1019 ILE 72 HG22 0.0057 0.0037 -0.0025 1020 ILE 72 HG23 0.0067 0.0010 -0.0022 1021 ILE 72 HD11 0.0039 -0.0006 -0.0020 1022 ILE 72 HD12 0.0033 0.0022 -0.0022 1023 ILE 72 HD13 0.0030 0.0005 -0.0021 1024 ASP 73 N 0.0071 0.0107 -0.0004 1025 ASP 73 CA 0.0060 0.0108 0.0003 1026 ASP 73 C 0.0037 0.0098 0.0007 1027 ASP 73 O 0.0031 0.0084 0.0001 1028 ASP 73 CB 0.0070 0.0099 -0.0009 1029 ASP 73 CG 0.0093 0.0109 -0.0014 1030 ASP 73 OD1 0.0099 0.0128 -0.0004 1031 ASP 73 OD2 0.0105 0.0099 -0.0028 1032 ASP 73 H 0.0074 0.0097 -0.0013 1033 ASP 73 HA 0.0061 0.0122 0.0012 1034 ASP 73 HB2 0.0069 0.0086 -0.0018 1035 ASP 73 HB3 0.0062 0.0099 -0.0005 1036 TRP 74 N 0.0015 0.0026 0.0026 1037 TRP 74 CA 0.0010 0.0023 0.0027 1038 TRP 74 C 0.0013 0.0021 0.0026 1039 TRP 74 O 0.0017 0.0025 0.0025 1040 TRP 74 CB 0.0004 0.0029 0.0028 1041 TRP 74 CG -0.0001 0.0026 0.0029 1042 TRP 74 CD1 -0.0001 0.0028 0.0030 1043 TRP 74 CD2 -0.0006 0.0021 0.0030 1044 TRP 74 NE1 -0.0007 0.0025 0.0030 1045 TRP 74 CE2 -0.0010 0.0020 0.0031 1046 TRP 74 CE3 -0.0008 0.0017 0.0030 1047 TRP 74 CZ2 -0.0015 0.0016 0.0031 1048 TRP 74 CZ3 -0.0014 0.0012 0.0031 1049 TRP 74 CH2 -0.0017 0.0012 0.0032 1050 TRP 74 H 0.0016 0.0030 0.0026 1051 TRP 74 HA 0.0007 0.0019 0.0027 1052 TRP 74 HB2 0.0002 0.0030 0.0029 1053 TRP 74 HB3 0.0007 0.0033 0.0028 1054 TRP 74 HD1 0.0002 0.0032 0.0029 1055 TRP 74 HE1 -0.0008 0.0025 0.0031 1056 TRP 74 HE3 -0.0006 0.0017 0.0030 1057 TRP 74 HZ2 -0.0018 0.0015 0.0032 1058 TRP 74 HZ3 -0.0016 0.0010 0.0031 1059 TRP 74 HH2 -0.0021 0.0009 0.0032 1060 ALA 75 N -0.0044 0.0092 0.0023 1061 ALA 75 CA -0.0045 0.0093 0.0024 1062 ALA 75 C -0.0033 0.0091 0.0025 1063 ALA 75 O -0.0024 0.0098 0.0029 1064 ALA 75 CB -0.0050 0.0106 0.0028 1065 ALA 75 H -0.0041 0.0097 0.0026 1066 ALA 75 HA -0.0051 0.0088 0.0021 1067 ALA 75 HB1 -0.0051 0.0107 0.0029 1068 ALA 75 HB2 -0.0058 0.0107 0.0028 1069 ALA 75 HB3 -0.0044 0.0111 0.0031 1070 ASN 76 N -0.0019 0.0117 0.0055 1071 ASN 76 CA -0.0010 0.0112 0.0058 1072 ASN 76 C -0.0014 0.0122 0.0055 1073 ASN 76 O -0.0004 0.0122 0.0057 1074 ASN 76 CB -0.0014 0.0094 0.0062 1075 ASN 76 CG 0.0001 0.0083 0.0067 1076 ASN 76 OD1 0.0015 0.0086 0.0069 1077 ASN 76 ND2 -0.0003 0.0070 0.0070 1078 ASN 76 H -0.0027 0.0111 0.0056 1079 ASN 76 HA 0.0002 0.0113 0.0060 1080 ASN 76 HB2 -0.0023 0.0090 0.0061 1081 ASN 76 HB3 -0.0016 0.0092 0.0062 1082 ASN 76 HD21 -0.0013 0.0069 0.0069 1083 ASN 76 HD22 0.0005 0.0064 0.0073 1084 ASP 77 N 0.0085 -0.0007 -0.0032 1085 ASP 77 CA 0.0131 -0.0093 0.0003 1086 ASP 77 C 0.0113 -0.0080 0.0117 1087 ASP 77 O 0.0141 -0.0142 0.0195 1088 ASP 77 CB 0.0157 -0.0123 -0.0089 1089 ASP 77 CG 0.0115 -0.0044 -0.0131 1090 ASP 77 OD1 0.0064 0.0041 -0.0098 1091 ASP 77 OD2 0.0136 -0.0067 -0.0203 1092 ASP 77 H 0.0070 0.0029 -0.0085 1093 ASP 77 HA 0.0162 -0.0149 0.0014 1094 ASP 77 HB2 0.0185 -0.0177 -0.0059 1095 ASP 77 HB3 0.0174 -0.0142 -0.0152 1096 VAL 78 N 0.0052 0.0132 0.0079 1097 VAL 78 CA 0.0049 0.0145 0.0116 1098 VAL 78 C 0.0041 0.0137 0.0095 1099 VAL 78 O 0.0041 0.0146 0.0122 1100 VAL 78 CB 0.0008 0.0154 0.0157 1101 VAL 78 CG1 0.0022 0.0166 0.0184 1102 VAL 78 CG2 -0.0046 0.0140 0.0136 1103 VAL 78 H 0.0023 0.0127 0.0073 1104 VAL 78 HA 0.0082 0.0155 0.0132 1105 VAL 78 HB 0.0007 0.0162 0.0181 1106 VAL 78 HG11 -0.0004 0.0171 0.0210 1107 VAL 78 HG12 0.0056 0.0175 0.0199 1108 VAL 78 HG13 0.0024 0.0158 0.0161 1109 VAL 78 HG21 -0.0072 0.0146 0.0163 1110 VAL 78 HG22 -0.0046 0.0132 0.0115 1111 VAL 78 HG23 -0.0053 0.0132 0.0117 1112 SER 79 N -0.0014 0.0075 0.0082 1113 SER 79 CA -0.0028 0.0076 0.0074 1114 SER 79 C -0.0041 0.0067 0.0080 1115 SER 79 O -0.0051 0.0062 0.0082 1116 SER 79 CB -0.0029 0.0079 0.0070 1117 SER 79 OG -0.0019 0.0089 0.0062 1118 SER 79 H -0.0008 0.0080 0.0078 1119 SER 79 HA -0.0029 0.0082 0.0067 1120 SER 79 HB2 -0.0026 0.0074 0.0077 1121 SER 79 HB3 -0.0040 0.0079 0.0066 1122 SER 79 HG -0.0020 0.0091 0.0059 1123 ARG 80 N -0.0084 0.0061 0.0059 1124 ARG 80 CA -0.0090 0.0052 0.0062 1125 ARG 80 C -0.0085 0.0062 0.0059 1126 ARG 80 O -0.0072 0.0070 0.0058 1127 ARG 80 CB -0.0083 0.0036 0.0067 1128 ARG 80 CG -0.0086 0.0025 0.0071 1129 ARG 80 CD -0.0104 0.0021 0.0070 1130 ARG 80 NE -0.0106 0.0007 0.0074 1131 ARG 80 CZ -0.0120 0.0003 0.0074 1132 ARG 80 NH1 -0.0134 0.0010 0.0071 1133 ARG 80 NH2 -0.0120 -0.0010 0.0078 1134 ARG 80 H -0.0075 0.0065 0.0059 1135 ARG 80 HA -0.0102 0.0051 0.0061 1136 ARG 80 HB2 -0.0071 0.0037 0.0068 1137 ARG 80 HB3 -0.0088 0.0031 0.0069 1138 ARG 80 HG2 -0.0082 0.0031 0.0069 1139 ARG 80 HG3 -0.0080 0.0016 0.0074 1140 ARG 80 HD2 -0.0109 0.0017 0.0071 1141 ARG 80 HD3 -0.0110 0.0029 0.0067 1142 ARG 80 HE -0.0097 0.0002 0.0077 1143 ARG 80 HH11 -0.0134 0.0018 0.0068 1144 ARG 80 HH12 -0.0143 0.0007 0.0071 1145 ARG 80 HH21 -0.0111 -0.0015 0.0081 1146 ARG 80 HH22 -0.0129 -0.0013 0.0078 1147 PHE 81 N -0.0030 0.0017 0.0032 1148 PHE 81 CA -0.0040 0.0011 0.0032 1149 PHE 81 C -0.0051 0.0022 0.0033 1150 PHE 81 O -0.0048 0.0035 0.0033 1151 PHE 81 CB -0.0031 0.0007 0.0031 1152 PHE 81 CG -0.0022 -0.0005 0.0030 1153 PHE 81 CD1 -0.0027 -0.0019 0.0030 1154 PHE 81 CD2 -0.0007 -0.0004 0.0030 1155 PHE 81 CE1 -0.0019 -0.0031 0.0029 1156 PHE 81 CE2 0.0002 -0.0016 0.0029 1157 PHE 81 CZ -0.0004 -0.0030 0.0029 1158 PHE 81 H -0.0022 0.0020 0.0031 1159 PHE 81 HA -0.0044 0.0002 0.0032 1160 PHE 81 HB2 -0.0025 0.0016 0.0031 1161 PHE 81 HB3 -0.0038 0.0005 0.0032 1162 PHE 81 HD1 -0.0037 -0.0020 0.0031 1163 PHE 81 HD2 -0.0003 0.0005 0.0030 1164 PHE 81 HE1 -0.0023 -0.0040 0.0029 1165 PHE 81 HE2 0.0012 -0.0015 0.0028 1166 PHE 81 HZ 0.0002 -0.0038 0.0028 1167 LEU 82 N -0.0034 0.0111 0.0028 1168 LEU 82 CA -0.0027 0.0107 0.0022 1169 LEU 82 C -0.0017 0.0111 0.0023 1170 LEU 82 O -0.0015 0.0117 0.0029 1171 LEU 82 CB -0.0028 0.0105 0.0020 1172 LEU 82 CG -0.0038 0.0102 0.0020 1173 LEU 82 CD1 -0.0038 0.0100 0.0018 1174 LEU 82 CD2 -0.0042 0.0095 0.0013 1175 LEU 82 H -0.0033 0.0115 0.0032 1176 LEU 82 HA -0.0028 0.0103 0.0018 1177 LEU 82 HB2 -0.0027 0.0110 0.0025 1178 LEU 82 HB3 -0.0024 0.0103 0.0016 1179 LEU 82 HG -0.0043 0.0104 0.0024 1180 LEU 82 HD11 -0.0044 0.0098 0.0017 1181 LEU 82 HD12 -0.0036 0.0104 0.0022 1182 LEU 82 HD13 -0.0033 0.0097 0.0013 1183 LEU 82 HD21 -0.0048 0.0092 0.0013 1184 LEU 82 HD22 -0.0037 0.0092 0.0009 1185 LEU 82 HD23 -0.0042 0.0096 0.0015 1186 CYS 83 N 0.0032 0.0154 -0.0031 1187 CYS 83 CA 0.0046 0.0157 -0.0031 1188 CYS 83 C 0.0062 0.0149 -0.0031 1189 CYS 83 O 0.0063 0.0133 -0.0034 1190 CYS 83 CB 0.0042 0.0151 -0.0032 1191 CYS 83 SG 0.0059 0.0155 -0.0031 1192 CYS 83 H 0.0029 0.0143 -0.0033 1193 CYS 83 HA 0.0047 0.0170 -0.0029 1194 CYS 83 HB2 0.0031 0.0156 -0.0031 1195 CYS 83 HB3 0.0040 0.0138 -0.0033 1196 PRO 84 N 0.0148 0.0215 -0.0094 1197 PRO 84 CA 0.0164 0.0199 -0.0114 1198 PRO 84 C 0.0166 0.0213 -0.0125 1199 PRO 84 O 0.0179 0.0200 -0.0140 1200 PRO 84 CB 0.0177 0.0202 -0.0137 1201 PRO 84 CG 0.0167 0.0229 -0.0135 1202 PRO 84 CD 0.0149 0.0232 -0.0105 1203 PRO 84 HA 0.0167 0.0179 -0.0107 1204 PRO 84 HB2 0.0187 0.0203 -0.0154 1205 PRO 84 HB3 0.0181 0.0185 -0.0134 1206 PRO 84 HG2 0.0167 0.0246 -0.0144 1207 PRO 84 HG3 0.0171 0.0228 -0.0142 1208 PRO 84 HD2 0.0140 0.0252 -0.0102 1209 PRO 84 HD3 0.0147 0.0223 -0.0097 1210 CYS 85 N 0.0173 0.0242 -0.0094 1211 CYS 85 CA 0.0173 0.0220 -0.0078 1212 CYS 85 C 0.0172 0.0190 -0.0055 1213 CYS 85 O 0.0191 0.0176 -0.0036 1214 CYS 85 CB 0.0143 0.0220 -0.0091 1215 CYS 85 SG 0.0154 0.0251 -0.0110 1216 CYS 85 H 0.0155 0.0248 -0.0107 1217 CYS 85 HA 0.0193 0.0226 -0.0073 1218 CYS 85 HB2 0.0123 0.0221 -0.0101 1219 CYS 85 HB3 0.0138 0.0201 -0.0079 1220 HIS 86 N 0.0140 0.0225 -0.0023 1221 HIS 86 CA 0.0137 0.0174 0.0008 1222 HIS 86 C 0.0128 0.0192 -0.0012 1223 HIS 86 O 0.0103 0.0151 -0.0006 1224 HIS 86 CB 0.0089 0.0110 0.0009 1225 HIS 86 CG 0.0089 0.0095 0.0019 1226 HIS 86 ND1 0.0055 0.0111 -0.0022 1227 HIS 86 CD2 0.0120 0.0068 0.0065 1228 HIS 86 CE1 0.0065 0.0093 -0.0001 1229 HIS 86 NE2 0.0105 0.0067 0.0051 1230 HIS 86 H 0.0115 0.0243 -0.0057 1231 HIS 86 HA 0.0173 0.0166 0.0045 1232 HIS 86 HB2 0.0051 0.0112 -0.0025 1233 HIS 86 HB3 0.0094 0.0076 0.0037 1234 HIS 86 HD2 0.0147 0.0052 0.0099 1235 HIS 86 HE1 0.0047 0.0098 -0.0020 1236 HIS 86 HE2 0.0118 0.0053 0.0073 1237 GLU 87 N 0.0144 0.0216 -0.0070 1238 GLU 87 CA 0.0045 0.0148 -0.0057 1239 GLU 87 C 0.0009 0.0159 0.0008 1240 GLU 87 O -0.0050 0.0103 -0.0010 1241 GLU 87 CB 0.0027 0.0073 -0.0160 1242 GLU 87 CG 0.0058 0.0056 -0.0227 1243 GLU 87 CD 0.0029 -0.0023 -0.0324 1244 GLU 87 OE1 -0.0053 -0.0082 -0.0317 1245 GLU 87 OE2 0.0089 -0.0027 -0.0407 1246 GLU 87 H 0.0154 0.0241 -0.0042 1247 GLU 87 HA 0.0009 0.0142 -0.0021 1248 GLU 87 HB2 0.0061 0.0077 -0.0197 1249 GLU 87 HB3 -0.0040 0.0028 -0.0148 1250 GLU 87 HG2 0.0029 0.0058 -0.0189 1251 GLU 87 HG3 0.0126 0.0097 -0.0248 1252 GLY 88 N -0.0037 0.0114 0.0002 1253 GLY 88 CA -0.0075 0.0120 0.0019 1254 GLY 88 C -0.0086 0.0119 0.0024 1255 GLY 88 O -0.0070 0.0133 0.0014 1256 GLY 88 H -0.0027 0.0134 -0.0006 1257 GLY 88 HA2 -0.0085 0.0100 0.0027 1258 GLY 88 HA3 -0.0082 0.0144 0.0018 1259 VAL 89 N -0.0132 0.0065 0.0040 1260 VAL 89 CA -0.0135 0.0062 0.0043 1261 VAL 89 C -0.0143 0.0065 0.0050 1262 VAL 89 O -0.0146 0.0063 0.0053 1263 VAL 89 CB -0.0135 0.0051 0.0043 1264 VAL 89 CG1 -0.0139 0.0049 0.0047 1265 VAL 89 CG2 -0.0127 0.0048 0.0036 1266 VAL 89 H -0.0134 0.0064 0.0042 1267 VAL 89 HA -0.0133 0.0065 0.0042 1268 VAL 89 HB -0.0137 0.0048 0.0045 1269 VAL 89 HG11 -0.0138 0.0042 0.0046 1270 VAL 89 HG12 -0.0143 0.0050 0.0052 1271 VAL 89 HG13 -0.0137 0.0053 0.0046 1272 VAL 89 HG21 -0.0127 0.0041 0.0037 1273 VAL 89 HG22 -0.0125 0.0051 0.0034 1274 VAL 89 HG23 -0.0125 0.0049 0.0034 1275 PHE 90 N -0.0107 -0.0006 0.0025 1276 PHE 90 CA -0.0119 -0.0004 0.0024 1277 PHE 90 C -0.0128 0.0002 0.0025 1278 PHE 90 O -0.0124 0.0009 0.0027 1279 PHE 90 CB -0.0117 0.0006 0.0027 1280 PHE 90 CG -0.0106 0.0002 0.0027 1281 PHE 90 CD1 -0.0094 0.0006 0.0028 1282 PHE 90 CD2 -0.0108 -0.0004 0.0025 1283 PHE 90 CE1 -0.0084 0.0003 0.0028 1284 PHE 90 CE2 -0.0098 -0.0007 0.0025 1285 PHE 90 CZ -0.0086 -0.0003 0.0026 1286 PHE 90 H -0.0104 0.0000 0.0026 1287 PHE 90 HA -0.0122 -0.0011 0.0022 1288 PHE 90 HB2 -0.0116 0.0014 0.0029 1289 PHE 90 HB3 -0.0125 0.0005 0.0026 1290 PHE 90 HD1 -0.0093 0.0011 0.0029 1291 PHE 90 HD2 -0.0116 -0.0007 0.0024 1292 PHE 90 HE1 -0.0076 0.0006 0.0029 1293 PHE 90 HE2 -0.0100 -0.0012 0.0023 1294 PHE 90 HZ -0.0080 -0.0005 0.0026 1295 ASP 91 N -0.0114 -0.0035 0.0050 1296 ASP 91 CA -0.0107 -0.0043 0.0052 1297 ASP 91 C -0.0105 -0.0051 0.0051 1298 ASP 91 O -0.0108 -0.0050 0.0050 1299 ASP 91 CB -0.0099 -0.0038 0.0058 1300 ASP 91 CG -0.0093 -0.0034 0.0062 1301 ASP 91 OD1 -0.0093 -0.0036 0.0061 1302 ASP 91 OD2 -0.0087 -0.0028 0.0067 1303 ASP 91 H -0.0112 -0.0029 0.0052 1304 ASP 91 HA -0.0109 -0.0047 0.0050 1305 ASP 91 HB2 -0.0095 -0.0043 0.0059 1306 ASP 91 HB3 -0.0101 -0.0033 0.0058 1307 VAL 92 N -0.0033 -0.0061 0.0072 1308 VAL 92 CA -0.0033 -0.0063 0.0063 1309 VAL 92 C -0.0037 -0.0067 0.0058 1310 VAL 92 O -0.0039 -0.0070 0.0051 1311 VAL 92 CB -0.0025 -0.0059 0.0059 1312 VAL 92 CG1 -0.0021 -0.0057 0.0056 1313 VAL 92 CG2 -0.0025 -0.0061 0.0051 1314 VAL 92 H -0.0029 -0.0058 0.0072 1315 VAL 92 HA -0.0036 -0.0065 0.0063 1316 VAL 92 HB -0.0023 -0.0057 0.0063 1317 VAL 92 HG11 -0.0016 -0.0054 0.0055 1318 VAL 92 HG12 -0.0022 -0.0056 0.0061 1319 VAL 92 HG13 -0.0023 -0.0060 0.0052 1320 VAL 92 HG21 -0.0020 -0.0059 0.0049 1321 VAL 92 HG22 -0.0027 -0.0064 0.0047 1322 VAL 92 HG23 -0.0027 -0.0063 0.0053 1323 ASN 93 N -0.0045 -0.0137 0.0074 1324 ASN 93 CA -0.0047 -0.0121 0.0087 1325 ASN 93 C -0.0055 -0.0101 0.0079 1326 ASN 93 O -0.0058 -0.0086 0.0090 1327 ASN 93 CB -0.0042 -0.0121 0.0108 1328 ASN 93 CG -0.0033 -0.0139 0.0118 1329 ASN 93 OD1 -0.0031 -0.0146 0.0116 1330 ASN 93 ND2 -0.0028 -0.0147 0.0129 1331 ASN 93 H -0.0043 -0.0139 0.0077 1332 ASN 93 HA -0.0046 -0.0123 0.0088 1333 ASN 93 HB2 -0.0042 -0.0120 0.0107 1334 ASN 93 HB3 -0.0043 -0.0110 0.0116 1335 ASN 93 HD21 -0.0029 -0.0142 0.0130 1336 ASN 93 HD22 -0.0023 -0.0157 0.0135 1337 GLY 94 N -0.0075 -0.0086 0.0040 1338 GLY 94 CA -0.0080 -0.0084 0.0040 1339 GLY 94 C -0.0080 -0.0072 0.0038 1340 GLY 94 O -0.0084 -0.0070 0.0038 1341 GLY 94 H -0.0079 -0.0086 0.0040 1342 GLY 94 HA2 -0.0087 -0.0087 0.0040 1343 GLY 94 HA3 -0.0075 -0.0088 0.0040 1344 LYS 95 N -0.0115 -0.0057 0.0014 1345 LYS 95 CA -0.0120 -0.0026 0.0034 1346 LYS 95 C -0.0144 -0.0017 0.0030 1347 LYS 95 O -0.0140 -0.0031 0.0022 1348 LYS 95 CB -0.0089 -0.0018 0.0055 1349 LYS 95 CG -0.0092 0.0015 0.0076 1350 LYS 95 CD -0.0063 0.0022 0.0095 1351 LYS 95 CE -0.0069 0.0054 0.0116 1352 LYS 95 NZ -0.0103 0.0071 0.0112 1353 LYS 95 H -0.0097 -0.0067 0.0015 1354 LYS 95 HA -0.0130 -0.0016 0.0037 1355 LYS 95 HB2 -0.0074 -0.0025 0.0057 1356 LYS 95 HB3 -0.0079 -0.0027 0.0052 1357 LYS 95 HG2 -0.0111 0.0023 0.0073 1358 LYS 95 HG3 -0.0094 0.0023 0.0082 1359 LYS 95 HD2 -0.0044 0.0016 0.0100 1360 LYS 95 HD3 -0.0059 0.0011 0.0089 1361 LYS 95 HE2 -0.0054 0.0062 0.0128 1362 LYS 95 HE3 -0.0065 0.0057 0.0119 1363 LYS 95 HZ1 -0.0117 0.0065 0.0101 1364 LYS 95 HZ2 -0.0104 0.0090 0.0125 1365 LYS 95 HZ3 -0.0108 0.0070 0.0109 1366 THR 96 N -0.0131 0.0010 -0.0022 1367 THR 96 CA -0.0150 0.0021 -0.0024 1368 THR 96 C -0.0151 0.0037 -0.0027 1369 THR 96 O -0.0137 0.0050 -0.0030 1370 THR 96 CB -0.0153 0.0030 -0.0026 1371 THR 96 OG1 -0.0148 0.0016 -0.0023 1372 THR 96 CG2 -0.0175 0.0035 -0.0026 1373 THR 96 H -0.0123 0.0012 -0.0022 1374 THR 96 HA -0.0161 0.0011 -0.0021 1375 THR 96 HB -0.0145 0.0041 -0.0028 1376 THR 96 HG1 -0.0149 0.0021 -0.0024 1377 THR 96 HG21 -0.0179 0.0035 -0.0026 1378 THR 96 HG22 -0.0178 0.0048 -0.0029 1379 THR 96 HG23 -0.0184 0.0026 -0.0024 1380 ILE 97 N -0.0169 0.0049 0.0051 1381 ILE 97 CA -0.0166 0.0054 0.0055 1382 ILE 97 C -0.0179 0.0061 0.0049 1383 ILE 97 O -0.0177 0.0068 0.0052 1384 ILE 97 CB -0.0158 0.0040 0.0056 1385 ILE 97 CG1 -0.0166 0.0027 0.0048 1386 ILE 97 CG2 -0.0144 0.0035 0.0063 1387 ILE 97 CD1 -0.0158 0.0014 0.0049 1388 ILE 97 H -0.0175 0.0042 0.0046 1389 ILE 97 HA -0.0160 0.0062 0.0061 1390 ILE 97 HB -0.0156 0.0045 0.0059 1391 ILE 97 HG12 -0.0168 0.0022 0.0045 1392 ILE 97 HG13 -0.0174 0.0031 0.0043 1393 ILE 97 HG21 -0.0138 0.0028 0.0065 1394 ILE 97 HG22 -0.0140 0.0044 0.0068 1395 ILE 97 HG23 -0.0146 0.0029 0.0060 1396 ILE 97 HD11 -0.0164 0.0006 0.0043 1397 ILE 97 HD12 -0.0155 0.0018 0.0052 1398 ILE 97 HD13 -0.0150 0.0009 0.0052 1399 SER 98 N -0.0192 0.0070 0.0023 1400 SER 98 C -0.0184 0.0077 0.0010 1401 SER 98 O -0.0182 0.0080 0.0016 1402 SER 98 CA -0.0190 0.0070 0.0012 1403 SER 98 CB -0.0196 0.0062 0.0007 1404 SER 98 OG -0.0197 0.0061 0.0009 1405 SER 98 H -0.0190 0.0073 0.0026 1406 SER 98 HA -0.0189 0.0070 0.0009 1407 SER 98 HB2 -0.0195 0.0062 0.0000 1408 SER 98 HB3 -0.0200 0.0058 0.0010 1409 SER 98 HG -0.0193 0.0065 0.0007 1410 SER 98 CA -0.0190 0.0070 0.0012 1411 SER 98 CB -0.0196 0.0062 0.0009 1412 SER 98 OG -0.0195 0.0061 -0.0002 1413 SER 98 H -0.0190 0.0073 0.0026 1414 SER 98 HA -0.0190 0.0070 0.0009 1415 SER 98 HB2 -0.0200 0.0058 0.0011 1416 SER 98 HB3 -0.0196 0.0063 0.0011 1417 SER 98 HG -0.0191 0.0065 -0.0004 1418 GLY 99 N -0.0183 0.0085 0.0003 1419 GLY 99 CA -0.0168 0.0086 0.0008 1420 GLY 99 C -0.0164 0.0080 0.0005 1421 GLY 99 O -0.0174 0.0074 -0.0001 1422 GLY 99 H -0.0184 0.0077 -0.0002 1423 GLY 99 HA2 -0.0160 0.0082 0.0007 1424 GLY 99 HA3 -0.0166 0.0096 0.0014 1425 PRO 100 N -0.0142 0.0069 0.0010 1426 PRO 100 CA -0.0154 0.0041 0.0009 1427 PRO 100 C -0.0165 0.0029 -0.0015 1428 PRO 100 O -0.0176 0.0005 -0.0015 1429 PRO 100 CB -0.0152 0.0030 0.0035 1430 PRO 100 CG -0.0143 0.0049 0.0038 1431 PRO 100 CD -0.0135 0.0075 0.0029 1432 PRO 100 HA -0.0156 0.0037 0.0011 1433 PRO 100 HB2 -0.0160 0.0013 0.0033 1434 PRO 100 HB3 -0.0148 0.0030 0.0051 1435 PRO 100 HG2 -0.0148 0.0045 0.0026 1436 PRO 100 HG3 -0.0139 0.0048 0.0057 1437 PRO 100 HD2 -0.0132 0.0086 0.0020 1438 PRO 100 HD3 -0.0127 0.0082 0.0044 1439 ALA 101 N -0.0134 0.0013 -0.0009 1440 ALA 101 CA -0.0105 -0.0021 -0.0015 1441 ALA 101 C -0.0079 -0.0029 -0.0066 1442 ALA 101 O -0.0088 0.0001 -0.0101 1443 ALA 101 CB -0.0115 -0.0013 -0.0006 1444 ALA 101 H -0.0152 0.0035 -0.0003 1445 ALA 101 HA -0.0096 -0.0046 0.0009 1446 ALA 101 HB1 -0.0096 -0.0036 -0.0010 1447 ALA 101 HB2 -0.0131 -0.0008 0.0027 1448 ALA 101 HB3 -0.0125 0.0012 -0.0029 1449 PRO 102 N -0.0067 -0.0112 -0.0223 1450 PRO 102 CA -0.0016 -0.0151 -0.0359 1451 PRO 102 C -0.0036 -0.0137 -0.0396 1452 PRO 102 O 0.0003 -0.0168 -0.0509 1453 PRO 102 CB 0.0112 -0.0246 -0.0333 1454 PRO 102 CG 0.0124 -0.0254 -0.0178 1455 PRO 102 CD 0.0020 -0.0176 -0.0110 1456 PRO 102 HA -0.0044 -0.0132 -0.0435 1457 PRO 102 HB2 0.0157 -0.0281 -0.0391 1458 PRO 102 HB3 0.0131 -0.0261 -0.0354 1459 PRO 102 HG2 0.0127 -0.0256 -0.0163 1460 PRO 102 HG3 0.0193 -0.0305 -0.0140 1461 PRO 102 HD2 -0.0002 -0.0159 -0.0026 1462 PRO 102 HD3 0.0033 -0.0185 -0.0084 1463 ARG 103 N -0.0057 -0.0164 -0.0108 1464 ARG 103 CA -0.0067 -0.0159 -0.0105 1465 ARG 103 C -0.0104 -0.0141 -0.0068 1466 ARG 103 O -0.0118 -0.0135 -0.0043 1467 ARG 103 CB -0.0026 -0.0178 -0.0089 1468 ARG 103 CG -0.0004 -0.0189 -0.0043 1469 ARG 103 CD 0.0021 -0.0201 -0.0016 1470 ARG 103 NE -0.0010 -0.0186 0.0004 1471 ARG 103 CZ 0.0001 -0.0191 0.0017 1472 ARG 103 NH1 0.0042 -0.0211 0.0015 1473 ARG 103 NH2 -0.0031 -0.0176 0.0034 1474 ARG 103 H -0.0068 -0.0159 -0.0083 1475 ARG 103 HA -0.0076 -0.0155 -0.0137 1476 ARG 103 HB2 -0.0035 -0.0174 -0.0082 1477 ARG 103 HB3 -0.0004 -0.0189 -0.0115 1478 ARG 103 HG2 0.0017 -0.0199 -0.0052 1479 ARG 103 HG3 -0.0026 -0.0179 -0.0021 1480 ARG 103 HD2 0.0041 -0.0210 -0.0038 1481 ARG 103 HD3 0.0037 -0.0208 0.0011 1482 ARG 103 HE -0.0038 -0.0173 0.0007 1483 ARG 103 HH11 0.0063 -0.0221 0.0005 1484 ARG 103 HH12 0.0049 -0.0214 0.0024 1485 ARG 103 HH21 -0.0058 -0.0164 0.0037 1486 ARG 103 HH22 -0.0024 -0.0179 0.0043 1487 GLY 104 N -0.0092 -0.0145 -0.0016 1488 GLY 104 CA -0.0105 -0.0113 0.0001 1489 GLY 104 C -0.0092 -0.0104 0.0028 1490 GLY 104 O -0.0072 -0.0123 0.0035 1491 GLY 104 H -0.0099 -0.0152 -0.0033 1492 GLY 104 HA2 -0.0105 -0.0105 0.0009 1493 GLY 104 HA3 -0.0123 -0.0103 -0.0014 1494 MET 105 N -0.0042 -0.0121 0.0046 1495 MET 105 CA -0.0042 -0.0114 0.0040 1496 MET 105 C -0.0054 -0.0116 0.0030 1497 MET 105 O -0.0062 -0.0118 0.0025 1498 MET 105 CB -0.0032 -0.0101 0.0035 1499 MET 105 CG -0.0019 -0.0099 0.0045 1500 MET 105 SD -0.0007 -0.0086 0.0041 1501 MET 105 CE -0.0008 -0.0076 0.0030 1502 MET 105 H -0.0038 -0.0117 0.0046 1503 MET 105 HA -0.0039 -0.0117 0.0045 1504 MET 105 HB2 -0.0033 -0.0099 0.0031 1505 MET 105 HB3 -0.0033 -0.0097 0.0029 1506 MET 105 HG2 -0.0017 -0.0100 0.0047 1507 MET 105 HG3 -0.0019 -0.0105 0.0051 1508 MET 105 HE1 -0.0002 -0.0069 0.0028 1509 MET 105 HE2 -0.0017 -0.0077 0.0024 1510 MET 105 HE3 -0.0007 -0.0078 0.0033 1511 TYR 106 N 0.0011 -0.0140 0.0038 1512 TYR 106 CA 0.0000 -0.0117 0.0049 1513 TYR 106 C -0.0005 -0.0119 0.0059 1514 TYR 106 O 0.0002 -0.0123 0.0048 1515 TYR 106 CB 0.0006 -0.0095 0.0032 1516 TYR 106 CG 0.0012 -0.0092 0.0020 1517 TYR 106 CD1 0.0005 -0.0085 0.0031 1518 TYR 106 CD2 0.0026 -0.0096 -0.0002 1519 TYR 106 CE1 0.0010 -0.0082 0.0020 1520 TYR 106 CE2 0.0031 -0.0093 -0.0013 1521 TYR 106 CZ 0.0024 -0.0086 -0.0002 1522 TYR 106 OH 0.0029 -0.0083 -0.0013 1523 TYR 106 H 0.0019 -0.0138 0.0024 1524 TYR 106 HA -0.0006 -0.0116 0.0060 1525 TYR 106 HB2 0.0012 -0.0096 0.0021 1526 TYR 106 HB3 -0.0001 -0.0080 0.0039 1527 TYR 106 HD1 -0.0004 -0.0082 0.0045 1528 TYR 106 HD2 0.0031 -0.0101 -0.0009 1529 TYR 106 HE1 0.0005 -0.0077 0.0027 1530 TYR 106 HE2 0.0040 -0.0095 -0.0027 1531 TYR 106 HH 0.0026 -0.0090 -0.0005 1532 SER 107 N 0.0007 -0.0178 0.0064 1533 SER 107 CA 0.0006 -0.0176 0.0062 1534 SER 107 C -0.0028 -0.0139 0.0051 1535 SER 107 O -0.0063 -0.0126 0.0071 1536 SER 107 CB 0.0003 -0.0206 0.0101 1537 SER 107 OG -0.0034 -0.0200 0.0133 1538 SER 107 H -0.0014 -0.0176 0.0083 1539 SER 107 HA 0.0031 -0.0179 0.0040 1540 SER 107 HB2 0.0005 -0.0205 0.0098 1541 SER 107 HB3 0.0025 -0.0229 0.0108 1542 SER 107 HG -0.0053 -0.0181 0.0129 1543 SER 107 N 0.0006 -0.0178 0.0064 1544 SER 107 CA 0.0003 -0.0176 0.0064 1545 SER 107 C -0.0028 -0.0137 0.0048 1546 SER 107 O -0.0060 -0.0119 0.0060 1547 SER 107 CB -0.0009 -0.0200 0.0107 1548 SER 107 OG -0.0010 -0.0201 0.0109 1549 SER 107 H -0.0014 -0.0176 0.0083 1550 SER 107 HA 0.0029 -0.0183 0.0047 1551 SER 107 HB2 0.0010 -0.0225 0.0118 1552 SER 107 HB3 -0.0036 -0.0192 0.0124 1553 SER 107 HG -0.0028 -0.0181 0.0102 1554 TYR 108 N -0.0031 -0.0098 -0.0010 1555 TYR 108 CA -0.0050 -0.0070 -0.0021 1556 TYR 108 C -0.0079 -0.0064 -0.0020 1557 TYR 108 O -0.0076 -0.0067 -0.0019 1558 TYR 108 CB -0.0028 -0.0043 -0.0036 1559 TYR 108 CG -0.0004 -0.0040 -0.0041 1560 TYR 108 CD1 0.0024 -0.0060 -0.0035 1561 TYR 108 CD2 -0.0007 -0.0016 -0.0051 1562 TYR 108 CE1 0.0046 -0.0056 -0.0039 1563 TYR 108 CE2 0.0016 -0.0012 -0.0056 1564 TYR 108 CZ 0.0042 -0.0033 -0.0049 1565 TYR 108 OH 0.0064 -0.0029 -0.0054 1566 TYR 108 H -0.0018 -0.0095 -0.0013 1567 TYR 108 HA -0.0057 -0.0073 -0.0019 1568 TYR 108 HB2 -0.0016 -0.0045 -0.0037 1569 TYR 108 HB3 -0.0043 -0.0025 -0.0043 1570 TYR 108 HD1 0.0027 -0.0076 -0.0028 1571 TYR 108 HD2 -0.0024 -0.0002 -0.0056 1572 TYR 108 HE1 0.0063 -0.0070 -0.0035 1573 TYR 108 HE2 0.0013 0.0004 -0.0063 1574 TYR 108 HH 0.0067 -0.0011 -0.0063 1575 ARG 109 N -0.0085 -0.0107 -0.0071 1576 ARG 109 CA -0.0121 -0.0088 -0.0100 1577 ARG 109 C -0.0125 -0.0034 -0.0080 1578 ARG 109 O -0.0099 -0.0023 -0.0048 1579 ARG 109 CB -0.0120 -0.0120 -0.0115 1580 ARG 109 CG -0.0154 -0.0103 -0.0143 1581 ARG 109 CD -0.0151 -0.0139 -0.0156 1582 ARG 109 NE -0.0185 -0.0125 -0.0186 1583 ARG 109 CZ -0.0186 -0.0124 -0.0187 1584 ARG 109 NH1 -0.0155 -0.0137 -0.0159 1585 ARG 109 NH2 -0.0219 -0.0111 -0.0216 1586 ARG 109 H -0.0070 -0.0132 -0.0067 1587 ARG 109 HA -0.0142 -0.0088 -0.0123 1588 ARG 109 HB2 -0.0118 -0.0154 -0.0128 1589 ARG 109 HB3 -0.0099 -0.0121 -0.0092 1590 ARG 109 HG2 -0.0156 -0.0071 -0.0130 1591 ARG 109 HG3 -0.0176 -0.0102 -0.0166 1592 ARG 109 HD2 -0.0147 -0.0172 -0.0167 1593 ARG 109 HD3 -0.0131 -0.0138 -0.0134 1594 ARG 109 HE -0.0207 -0.0117 -0.0205 1595 ARG 109 HH11 -0.0134 -0.0145 -0.0140 1596 ARG 109 HH12 -0.0156 -0.0136 -0.0160 1597 ARG 109 HH21 -0.0240 -0.0104 -0.0234 1598 ARG 109 HH22 -0.0220 -0.0111 -0.0216 1599 THR 110 N -0.0127 -0.0010 -0.0060 1600 THR 110 CA -0.0124 0.0019 -0.0060 1601 THR 110 C -0.0141 0.0032 -0.0082 1602 THR 110 O -0.0154 0.0023 -0.0096 1603 THR 110 CB -0.0112 0.0033 -0.0048 1604 THR 110 OG1 -0.0096 0.0020 -0.0028 1605 THR 110 CG2 -0.0106 0.0063 -0.0046 1606 THR 110 H -0.0135 -0.0013 -0.0068 1607 THR 110 HA -0.0118 0.0021 -0.0053 1608 THR 110 HB -0.0119 0.0033 -0.0056 1609 THR 110 HG1 -0.0090 0.0027 -0.0022 1610 THR 110 HG21 -0.0097 0.0071 -0.0037 1611 THR 110 HG22 -0.0116 0.0073 -0.0060 1612 THR 110 HG23 -0.0101 0.0064 -0.0041 1613 THR 110 N -0.0127 -0.0010 -0.0060 1614 THR 110 CA -0.0124 0.0019 -0.0060 1615 THR 110 C -0.0141 0.0031 -0.0082 1616 THR 110 O -0.0154 0.0023 -0.0096 1617 THR 110 CB -0.0112 0.0033 -0.0049 1618 THR 110 OG1 -0.0122 0.0031 -0.0060 1619 THR 110 CG2 -0.0095 0.0021 -0.0026 1620 THR 110 H -0.0135 -0.0014 -0.0068 1621 THR 110 HA -0.0117 0.0021 -0.0053 1622 THR 110 HB -0.0109 0.0052 -0.0048 1623 THR 110 HG1 -0.0115 0.0037 -0.0053 1624 THR 110 HG21 -0.0093 0.0018 -0.0024 1625 THR 110 HG22 -0.0085 0.0034 -0.0017 1626 THR 110 HG23 -0.0095 0.0004 -0.0024 1627 LYS 111 N -0.0065 0.0081 -0.0082 1628 LYS 111 CA -0.0043 0.0076 -0.0099 1629 LYS 111 C -0.0049 0.0068 -0.0095 1630 LYS 111 O -0.0069 0.0061 -0.0081 1631 LYS 111 CB -0.0030 0.0051 -0.0111 1632 LYS 111 CG -0.0042 0.0022 -0.0105 1633 LYS 111 CD -0.0028 -0.0001 -0.0118 1634 LYS 111 CE -0.0040 -0.0031 -0.0113 1635 LYS 111 NZ -0.0026 -0.0055 -0.0126 1636 LYS 111 H -0.0077 0.0070 -0.0075 1637 LYS 111 HA -0.0033 0.0093 -0.0104 1638 LYS 111 HB2 -0.0015 0.0051 -0.0122 1639 LYS 111 HB3 -0.0029 0.0055 -0.0112 1640 LYS 111 HG2 -0.0057 0.0021 -0.0094 1641 LYS 111 HG3 -0.0044 0.0018 -0.0104 1642 LYS 111 HD2 -0.0013 -0.0001 -0.0129 1643 LYS 111 HD3 -0.0026 0.0003 -0.0120 1644 LYS 111 HE2 -0.0055 -0.0032 -0.0102 1645 LYS 111 HE3 -0.0044 -0.0035 -0.0111 1646 LYS 111 HZ1 -0.0018 -0.0049 -0.0131 1647 LYS 111 HZ2 -0.0035 -0.0070 -0.0120 1648 LYS 111 HZ3 -0.0016 -0.0059 -0.0134 1649 VAL 112 N 0.0028 0.0010 -0.0128 1650 VAL 112 CA 0.0019 -0.0002 -0.0117 1651 VAL 112 C 0.0048 -0.0041 -0.0138 1652 VAL 112 O 0.0080 -0.0034 -0.0170 1653 VAL 112 CB 0.0018 0.0043 -0.0123 1654 VAL 112 CG1 0.0009 0.0028 -0.0112 1655 VAL 112 CG2 -0.0009 0.0084 -0.0105 1656 VAL 112 H 0.0047 0.0024 -0.0148 1657 VAL 112 HA -0.0004 -0.0014 -0.0093 1658 VAL 112 HB 0.0041 0.0055 -0.0147 1659 VAL 112 HG11 0.0008 0.0056 -0.0116 1660 VAL 112 HG12 0.0027 0.0003 -0.0125 1661 VAL 112 HG13 -0.0015 0.0016 -0.0088 1662 VAL 112 HG21 -0.0011 0.0111 -0.0108 1663 VAL 112 HG22 -0.0033 0.0072 -0.0081 1664 VAL 112 HG23 -0.0001 0.0094 -0.0114 1665 GLU 113 N 0.0150 0.0072 -0.0324 1666 GLU 113 CA 0.0317 -0.0166 -0.0395 1667 GLU 113 C 0.0206 -0.0203 -0.0209 1668 GLU 113 O 0.0057 -0.0274 0.0054 1669 GLU 113 CB 0.0437 -0.0481 -0.0344 1670 GLU 113 CG 0.0590 -0.0739 -0.0380 1671 GLU 113 CD 0.0700 -0.1055 -0.0314 1672 GLU 113 OE1 0.0792 -0.1078 -0.0430 1673 GLU 113 OE2 0.0693 -0.1278 -0.0147 1674 GLU 113 H 0.0038 0.0044 -0.0145 1675 GLU 113 HA 0.0423 -0.0100 -0.0594 1676 GLU 113 HB2 0.0523 -0.0463 -0.0480 1677 GLU 113 HB3 0.0331 -0.0537 -0.0152 1678 GLU 113 HG2 0.0506 -0.0750 -0.0253 1679 GLU 113 HG3 0.0702 -0.0691 -0.0576 1680 ASN 114 N -0.0111 -0.0086 -0.0126 1681 ASN 114 CA -0.0178 0.0048 0.0014 1682 ASN 114 C -0.0141 0.0022 -0.0016 1683 ASN 114 O -0.0059 0.0129 0.0081 1684 ASN 114 CB -0.0065 0.0205 0.0156 1685 ASN 114 CG -0.0111 0.0232 0.0188 1686 ASN 114 OD1 -0.0287 0.0178 0.0154 1687 ASN 114 ND2 0.0046 0.0319 0.0256 1688 ASN 114 H -0.0211 -0.0124 -0.0153 1689 ASN 114 HA -0.0337 0.0056 0.0039 1690 ASN 114 HB2 0.0095 0.0204 0.0137 1691 ASN 114 HB3 -0.0120 0.0292 0.0249 1692 ASN 114 HD21 0.0029 0.0338 0.0277 1693 ASN 114 HD22 0.0166 0.0355 0.0280 1694 ASN 115 N -0.0022 -0.0052 -0.0042 1695 ASN 115 CA -0.0030 -0.0046 -0.0039 1696 ASN 115 C -0.0037 -0.0047 -0.0034 1697 ASN 115 O -0.0045 -0.0044 -0.0031 1698 ASN 115 CB -0.0033 -0.0049 -0.0036 1699 ASN 115 CG -0.0039 -0.0041 -0.0036 1700 ASN 115 OD1 -0.0038 -0.0032 -0.0039 1701 ASN 115 ND2 -0.0045 -0.0043 -0.0031 1702 ASN 115 H -0.0018 -0.0049 -0.0045 1703 ASN 115 HA -0.0029 -0.0040 -0.0042 1704 ASN 115 HB2 -0.0028 -0.0050 -0.0039 1705 ASN 115 HB3 -0.0036 -0.0054 -0.0033 1706 ASN 115 HD21 -0.0046 -0.0049 -0.0028 1707 ASN 115 HD22 -0.0049 -0.0039 -0.0030 1708 ASN 115 N -0.0022 -0.0052 -0.0042 1709 ASN 115 CA -0.0030 -0.0046 -0.0039 1710 ASN 115 C -0.0037 -0.0047 -0.0034 1711 ASN 115 O -0.0045 -0.0043 -0.0031 1712 ASN 115 CB -0.0033 -0.0049 -0.0036 1713 ASN 115 CG -0.0027 -0.0045 -0.0041 1714 ASN 115 OD1 -0.0024 -0.0039 -0.0046 1715 ASN 115 ND2 -0.0027 -0.0051 -0.0040 1716 ASN 115 H -0.0018 -0.0048 -0.0046 1717 ASN 115 HA -0.0029 -0.0040 -0.0042 1718 ASN 115 HB2 -0.0033 -0.0055 -0.0034 1719 ASN 115 HB3 -0.0039 -0.0045 -0.0034 1720 ASN 115 HD21 -0.0029 -0.0055 -0.0036 1721 ASN 115 HD22 -0.0023 -0.0049 -0.0042 1722 THR 116 N -0.0017 -0.0023 -0.0000 1723 THR 116 CA -0.0032 -0.0029 0.0019 1724 THR 116 C -0.0022 -0.0009 -0.0009 1725 THR 116 O 0.0011 -0.0010 -0.0038 1726 THR 116 CB -0.0015 -0.0072 0.0043 1727 THR 116 OG1 -0.0028 -0.0090 0.0072 1728 THR 116 CG2 -0.0025 -0.0080 0.0059 1729 THR 116 H 0.0008 -0.0037 -0.0010 1730 THR 116 HA -0.0060 -0.0019 0.0035 1731 THR 116 HB 0.0013 -0.0084 0.0028 1732 THR 116 HG1 -0.0020 -0.0114 0.0085 1733 THR 116 HG21 -0.0021 -0.0106 0.0079 1734 THR 116 HG22 -0.0010 -0.0074 0.0041 1735 THR 116 HG23 -0.0053 -0.0063 0.0069 1736 VAL 117 N -0.0082 0.0047 0.0006 1737 VAL 117 CA -0.0084 0.0059 0.0007 1738 VAL 117 C -0.0090 0.0058 0.0007 1739 VAL 117 O -0.0100 0.0052 0.0007 1740 VAL 117 CB -0.0093 0.0067 0.0008 1741 VAL 117 CG1 -0.0095 0.0079 0.0010 1742 VAL 117 CG2 -0.0087 0.0068 0.0008 1743 VAL 117 H -0.0088 0.0045 0.0006 1744 VAL 117 HA -0.0077 0.0063 0.0007 1745 VAL 117 HB -0.0100 0.0063 0.0008 1746 VAL 117 HG11 -0.0099 0.0084 0.0011 1747 VAL 117 HG12 -0.0100 0.0078 0.0010 1748 VAL 117 HG13 -0.0087 0.0083 0.0010 1749 VAL 117 HG21 -0.0092 0.0073 0.0009 1750 VAL 117 HG22 -0.0079 0.0071 0.0008 1751 VAL 117 HG23 -0.0087 0.0060 0.0007 1752 PHE 118 N -0.0111 0.0046 -0.0009 1753 PHE 118 CA -0.0114 0.0034 -0.0005 1754 PHE 118 C -0.0120 0.0085 -0.0014 1755 PHE 118 O -0.0092 0.0121 -0.0029 1756 PHE 118 CB -0.0065 0.0004 -0.0012 1757 PHE 118 CG -0.0060 -0.0052 -0.0002 1758 PHE 118 CD1 -0.0082 -0.0091 0.0011 1759 PHE 118 CD2 -0.0034 -0.0065 -0.0007 1760 PHE 118 CE1 -0.0078 -0.0142 0.0020 1761 PHE 118 CE2 -0.0031 -0.0115 0.0002 1762 PHE 118 CZ -0.0052 -0.0154 0.0016 1763 PHE 118 H -0.0085 0.0064 -0.0019 1764 PHE 118 HA -0.0144 0.0013 0.0007 1765 PHE 118 HB2 -0.0035 0.0021 -0.0024 1766 PHE 118 HB3 -0.0065 0.0003 -0.0012 1767 PHE 118 HD1 -0.0100 -0.0083 0.0014 1768 PHE 118 HD2 -0.0019 -0.0039 -0.0016 1769 PHE 118 HE1 -0.0092 -0.0168 0.0029 1770 PHE 118 HE2 -0.0013 -0.0123 -0.0001 1771 PHE 118 HZ -0.0050 -0.0188 0.0022 1772 VAL 119 N -0.0091 0.0066 -0.0020 1773 VAL 119 CA -0.0082 0.0037 -0.0026 1774 VAL 119 C -0.0073 0.0026 -0.0026 1775 VAL 119 O -0.0060 0.0039 -0.0016 1776 VAL 119 CB -0.0061 0.0031 -0.0019 1777 VAL 119 CG1 -0.0072 0.0040 -0.0020 1778 VAL 119 CG2 -0.0038 0.0043 -0.0004 1779 VAL 119 H -0.0079 0.0075 -0.0011 1780 VAL 119 HA -0.0097 0.0029 -0.0035 1781 VAL 119 HB -0.0057 0.0011 -0.0023 1782 VAL 119 HG11 -0.0058 0.0037 -0.0015 1783 VAL 119 HG12 -0.0086 0.0030 -0.0030 1784 VAL 119 HG13 -0.0078 0.0059 -0.0016 1785 VAL 119 HG21 -0.0026 0.0040 0.0000 1786 VAL 119 HG22 -0.0043 0.0062 -0.0000 1787 VAL 119 HG23 -0.0031 0.0035 -0.0003 1788 ASP 120 N -0.0092 -0.0012 -0.0043 1789 ASP 120 CA -0.0051 -0.0028 -0.0046 1790 ASP 120 C -0.0022 -0.0045 -0.0062 1791 ASP 120 O -0.0025 -0.0061 -0.0100 1792 ASP 120 CB -0.0057 -0.0039 -0.0076 1793 ASP 120 CG -0.0015 -0.0058 -0.0085 1794 ASP 120 OD1 0.0019 -0.0061 -0.0064 1795 ASP 120 OD2 -0.0016 -0.0069 -0.0112 1796 ASP 120 H -0.0109 -0.0016 -0.0066 1797 ASP 120 HA -0.0038 -0.0021 -0.0019 1798 ASP 120 HB2 -0.0074 -0.0028 -0.0065 1799 ASP 120 HB3 -0.0072 -0.0045 -0.0103 1800 TYR 121 N 0.0004 -0.0023 -0.0044 1801 TYR 121 CA 0.0004 -0.0018 -0.0058 1802 TYR 121 C 0.0027 -0.0014 -0.0071 1803 TYR 121 O 0.0028 -0.0009 -0.0085 1804 TYR 121 CB -0.0003 -0.0023 -0.0044 1805 TYR 121 CG 0.0017 -0.0029 -0.0027 1806 TYR 121 CD1 0.0017 -0.0036 -0.0006 1807 TYR 121 CD2 0.0034 -0.0027 -0.0033 1808 TYR 121 CE1 0.0035 -0.0042 0.0010 1809 TYR 121 CE2 0.0052 -0.0032 -0.0018 1810 TYR 121 CZ 0.0052 -0.0040 0.0003 1811 TYR 121 OH 0.0070 -0.0045 0.0018 1812 TYR 121 H 0.0005 -0.0028 -0.0030 1813 TYR 121 HA -0.0009 -0.0014 -0.0070 1814 TYR 121 HB2 -0.0005 -0.0019 -0.0054 1815 TYR 121 HB3 -0.0017 -0.0026 -0.0035 1816 TYR 121 HD1 0.0006 -0.0038 -0.0001 1817 TYR 121 HD2 0.0034 -0.0022 -0.0047 1818 TYR 121 HE1 0.0035 -0.0047 0.0024 1819 TYR 121 HE2 0.0064 -0.0031 -0.0022 1820 TYR 121 HH 0.0080 -0.0043 0.0012 1821 ALA 122 N 0.0110 -0.0003 -0.0145 1822 ALA 122 CA 0.0181 0.0056 -0.0172 1823 ALA 122 C 0.0177 0.0061 -0.0203 1824 ALA 122 O 0.0233 0.0107 -0.0226 1825 ALA 122 CB 0.0245 0.0085 -0.0095 1826 ALA 122 H 0.0106 -0.0019 -0.0089 1827 ALA 122 HA 0.0192 0.0076 -0.0222 1828 ALA 122 HB1 0.0292 0.0125 -0.0118 1829 ALA 122 HB2 0.0244 0.0079 -0.0074 1830 ALA 122 HB3 0.0239 0.0069 -0.0046 1831 ALA 123 N -0.0000 -0.0174 -0.0135 1832 ALA 123 CA -0.0016 -0.0176 -0.0175 1833 ALA 123 C -0.0029 -0.0155 -0.0174 1834 ALA 123 O -0.0054 -0.0127 -0.0185 1835 ALA 123 CB -0.0036 -0.0160 -0.0199 1836 ALA 123 H -0.0009 -0.0154 -0.0120 1837 ALA 123 HA -0.0004 -0.0199 -0.0188 1838 ALA 123 HB1 -0.0039 -0.0171 -0.0226 1839 ALA 123 HB2 -0.0030 -0.0163 -0.0188 1840 ALA 123 HB3 -0.0052 -0.0135 -0.0196 1841 ILE 124 N -0.0125 -0.0013 -0.0005 1842 ILE 124 CA -0.0089 -0.0036 0.0009 1843 ILE 124 C -0.0099 -0.0050 0.0054 1844 ILE 124 O -0.0132 -0.0042 0.0069 1845 ILE 124 CB -0.0073 -0.0032 -0.0016 1846 ILE 124 CG1 -0.0062 -0.0018 -0.0062 1847 ILE 124 CG2 -0.0037 -0.0055 0.0000 1848 ILE 124 CD1 -0.0062 -0.0005 -0.0091 1849 ILE 124 H -0.0142 -0.0004 -0.0010 1850 ILE 124 HA -0.0068 -0.0043 0.0005 1851 ILE 124 HB -0.0094 -0.0024 -0.0014 1852 ILE 124 HG12 -0.0035 -0.0028 -0.0066 1853 ILE 124 HG13 -0.0081 -0.0006 -0.0068 1854 ILE 124 HG21 -0.0023 -0.0053 -0.0019 1855 ILE 124 HG22 -0.0047 -0.0062 0.0026 1856 ILE 124 HG23 -0.0019 -0.0065 0.0005 1857 ILE 124 HD11 -0.0055 0.0004 -0.0119 1858 ILE 124 HD12 -0.0089 0.0005 -0.0087 1859 ILE 124 HD13 -0.0042 -0.0016 -0.0085 1860 THR 125 N -0.0186 0.0046 0.0117 1861 THR 125 CA -0.0194 0.0029 0.0290 1862 THR 125 C -0.0130 -0.0051 0.0250 1863 THR 125 O -0.0033 -0.0164 0.0145 1864 THR 125 CB -0.0135 -0.0075 0.0447 1865 THR 125 OG1 -0.0205 0.0008 0.0511 1866 THR 125 CG2 -0.0124 -0.0116 0.0619 1867 THR 125 OXT -0.0176 -0.0002 0.0326 1868 THR 125 H -0.0116 -0.0042 0.0078 1869 THR 125 HA -0.0276 0.0131 0.0337 1870 THR 125 HB -0.0057 -0.0171 0.0393 1871 THR 125 HG1 -0.0236 0.0064 0.0418 1872 THR 125 HG21 -0.0117 -0.0144 0.0734 1873 THR 125 HG22 -0.0055 -0.0205 0.0592 1874 THR 125 HG23 -0.0193 -0.0028 0.0643