1 ALA 8 N -0.0011 -0.0056 -0.0069 2 ALA 8 CA -0.0060 -0.0166 -0.0086 3 ALA 8 C -0.0092 -0.0194 -0.0059 4 ALA 8 O -0.0123 -0.0284 -0.0091 5 ALA 8 CB -0.0123 -0.0220 -0.0034 6 ALA 8 HA -0.0031 -0.0193 -0.0159 7 ALA 8 HB1 -0.0156 -0.0293 -0.0046 8 ALA 8 HB2 -0.0100 -0.0212 -0.0063 9 ALA 8 HB3 -0.0149 -0.0189 0.0038 10 ASP 9 N -0.0083 -0.0094 -0.0020 11 ASP 9 CA -0.0100 -0.0108 0.0004 12 ASP 9 C -0.0138 -0.0115 0.0003 13 ASP 9 O -0.0159 -0.0110 -0.0016 14 ASP 9 CB -0.0094 -0.0106 0.0002 15 ASP 9 CG -0.0104 -0.0121 0.0032 16 ASP 9 OD1 -0.0101 -0.0132 0.0059 17 ASP 9 OD2 -0.0115 -0.0122 0.0030 18 ASP 9 H -0.0096 -0.0089 -0.0037 19 ASP 9 HA -0.0090 -0.0115 0.0025 20 ASP 9 HB2 -0.0070 -0.0100 -0.0001 21 ASP 9 HB3 -0.0109 -0.0100 -0.0016 22 PHE 10 N -0.0101 -0.0114 0.0050 23 PHE 10 CA -0.0102 -0.0111 0.0050 24 PHE 10 C -0.0142 -0.0155 0.0050 25 PHE 10 O -0.0143 -0.0203 0.0046 26 PHE 10 CB -0.0043 -0.0122 0.0043 27 PHE 10 CG -0.0004 -0.0072 0.0044 28 PHE 10 CD1 -0.0011 -0.0030 0.0049 29 PHE 10 CD2 0.0040 -0.0067 0.0040 30 PHE 10 CE1 0.0025 0.0016 0.0050 31 PHE 10 CE2 0.0076 -0.0021 0.0041 32 PHE 10 CZ 0.0069 0.0020 0.0046 33 PHE 10 H -0.0075 -0.0134 0.0046 34 PHE 10 HA -0.0114 -0.0074 0.0055 35 PHE 10 HB2 -0.0026 -0.0150 0.0039 36 PHE 10 HB3 -0.0046 -0.0136 0.0042 37 PHE 10 HD1 -0.0040 -0.0032 0.0052 38 PHE 10 HD2 0.0046 -0.0095 0.0037 39 PHE 10 HE1 0.0020 0.0044 0.0053 40 PHE 10 HE2 0.0105 -0.0018 0.0038 41 PHE 10 HZ 0.0093 0.0051 0.0046 42 ILE 11 N -0.0223 -0.0069 0.0035 43 ILE 11 CA -0.0228 -0.0071 0.0040 44 ILE 11 C -0.0215 -0.0057 0.0036 45 ILE 11 O -0.0208 -0.0041 0.0043 46 ILE 11 CB -0.0243 -0.0069 0.0059 47 ILE 11 CG1 -0.0256 -0.0083 0.0062 48 ILE 11 CG2 -0.0247 -0.0070 0.0063 49 ILE 11 CD1 -0.0262 -0.0102 0.0052 50 ILE 11 H -0.0220 -0.0058 0.0042 51 ILE 11 HA -0.0231 -0.0083 0.0032 52 ILE 11 HB -0.0240 -0.0058 0.0066 53 ILE 11 HG12 -0.0253 -0.0082 0.0059 54 ILE 11 HG13 -0.0265 -0.0081 0.0075 55 ILE 11 HG21 -0.0257 -0.0072 0.0074 56 ILE 11 HG22 -0.0239 -0.0059 0.0065 57 ILE 11 HG23 -0.0246 -0.0080 0.0053 58 ILE 11 HD11 -0.0271 -0.0110 0.0055 59 ILE 11 HD12 -0.0266 -0.0104 0.0055 60 ILE 11 HD13 -0.0254 -0.0105 0.0040 61 GLY 12 N -0.0164 0.0022 0.0022 62 GLY 12 CA -0.0139 0.0038 0.0017 63 GLY 12 C -0.0119 0.0043 0.0035 64 GLY 12 O -0.0122 0.0040 0.0039 65 GLY 12 H -0.0172 0.0022 0.0010 66 GLY 12 HA2 -0.0137 0.0038 0.0021 67 GLY 12 HA3 -0.0138 0.0045 -0.0001 68 ILE 13 N -0.0072 0.0082 -0.0018 69 ILE 13 CA -0.0039 0.0080 -0.0001 70 ILE 13 C -0.0026 0.0106 -0.0005 71 ILE 13 O 0.0001 0.0106 0.0009 72 ILE 13 CB -0.0035 0.0045 0.0014 73 ILE 13 CG1 -0.0055 0.0034 0.0008 74 ILE 13 CG2 -0.0042 0.0021 0.0020 75 ILE 13 CD1 -0.0045 0.0004 0.0025 76 ILE 13 H -0.0084 0.0081 -0.0024 77 ILE 13 HA -0.0026 0.0086 0.0003 78 ILE 13 HB -0.0013 0.0046 0.0025 79 ILE 13 HG12 -0.0077 0.0029 -0.0001 80 ILE 13 HG13 -0.0052 0.0052 0.0003 81 ILE 13 HG21 -0.0037 -0.0000 0.0030 82 ILE 13 HG22 -0.0028 0.0030 0.0023 83 ILE 13 HG23 -0.0064 0.0020 0.0010 84 ILE 13 HD11 -0.0057 -0.0001 0.0021 85 ILE 13 HD12 -0.0023 0.0008 0.0034 86 ILE 13 HD13 -0.0049 -0.0015 0.0030 87 GLY 14 N -0.0041 0.0165 -0.0043 88 GLY 14 CA 0.0005 0.0159 -0.0060 89 GLY 14 C -0.0008 0.0152 -0.0043 90 GLY 14 O -0.0052 0.0149 -0.0015 91 GLY 14 H -0.0073 0.0178 -0.0044 92 GLY 14 HA2 0.0014 0.0181 -0.0095 93 GLY 14 HA3 0.0037 0.0139 -0.0048 94 LYS 15 N 0.0004 0.0177 -0.0094 95 LYS 15 CA 0.0005 0.0139 -0.0021 96 LYS 15 C -0.0010 0.0111 -0.0039 97 LYS 15 O -0.0035 0.0090 -0.0106 98 LYS 15 CB -0.0016 0.0069 0.0010 99 LYS 15 CG -0.0001 0.0087 0.0043 100 LYS 15 CD -0.0026 0.0014 0.0068 101 LYS 15 CE -0.0037 -0.0044 0.0124 102 LYS 15 NZ -0.0061 -0.0116 0.0147 103 LYS 15 H -0.0014 0.0148 -0.0120 104 LYS 15 HA 0.0030 0.0175 0.0020 105 LYS 15 HB2 -0.0040 0.0037 -0.0034 106 LYS 15 HB3 -0.0018 0.0041 0.0054 107 LYS 15 HG2 0.0022 0.0115 0.0091 108 LYS 15 HG3 0.0002 0.0117 0.0002 109 LYS 15 HD2 -0.0014 0.0027 0.0097 110 LYS 15 HD3 -0.0048 -0.0011 0.0020 111 LYS 15 HE2 -0.0049 -0.0058 0.0096 112 LYS 15 HE3 -0.0016 -0.0021 0.0174 113 LYS 15 HZ1 -0.0080 -0.0137 0.0103 114 LYS 15 HZ2 -0.0069 -0.0150 0.0176 115 LYS 15 HZ3 -0.0050 -0.0105 0.0177 116 LEU 16 N 0.0027 0.0076 -0.0004 117 LEU 16 CA 0.0021 0.0061 -0.0009 118 LEU 16 C 0.0008 0.0031 -0.0022 119 LEU 16 O 0.0003 0.0021 -0.0043 120 LEU 16 CB 0.0020 0.0059 0.0021 121 LEU 16 CG 0.0012 0.0043 0.0020 122 LEU 16 CD1 0.0020 0.0059 0.0002 123 LEU 16 CD2 0.0009 0.0037 0.0053 124 LEU 16 H 0.0030 0.0082 0.0015 125 LEU 16 HA 0.0026 0.0071 -0.0025 126 LEU 16 HB2 0.0028 0.0079 0.0028 127 LEU 16 HB3 0.0015 0.0050 0.0037 128 LEU 16 HG 0.0004 0.0025 0.0009 129 LEU 16 HD11 0.0015 0.0047 0.0001 130 LEU 16 HD12 0.0021 0.0062 -0.0020 131 LEU 16 HD13 0.0028 0.0077 0.0012 132 LEU 16 HD21 0.0004 0.0025 0.0052 133 LEU 16 HD22 0.0017 0.0055 0.0063 134 LEU 16 HD23 0.0005 0.0028 0.0065 135 ASP 17 N -0.0024 0.0008 -0.0025 136 ASP 17 CA -0.0041 -0.0065 -0.0051 137 ASP 17 C -0.0046 -0.0069 -0.0132 138 ASP 17 O -0.0060 -0.0127 -0.0162 139 ASP 17 CB -0.0048 -0.0113 -0.0003 140 ASP 17 CG -0.0039 -0.0076 0.0025 141 ASP 17 OD1 -0.0025 -0.0018 0.0058 142 ASP 17 OD2 -0.0046 -0.0106 0.0016 143 ASP 17 H -0.0019 0.0022 0.0001 144 ASP 17 HA -0.0045 -0.0087 -0.0047 145 ASP 17 HB2 -0.0059 -0.0154 -0.0031 146 ASP 17 HB3 -0.0050 -0.0129 0.0039 147 ASP 18 N -0.0004 -0.0047 -0.0097 148 ASP 18 CA -0.0004 -0.0047 -0.0151 149 ASP 18 C 0.0000 -0.0056 -0.0142 150 ASP 18 O 0.0004 -0.0064 -0.0184 151 ASP 18 CB -0.0027 0.0006 -0.0182 152 ASP 18 CG -0.0032 0.0019 -0.0201 153 ASP 18 OD1 -0.0017 -0.0018 -0.0207 154 ASP 18 OD2 -0.0053 0.0067 -0.0212 155 ASP 18 H -0.0017 -0.0017 -0.0087 156 ASP 18 HA 0.0008 -0.0075 -0.0175 157 ASP 18 HB2 -0.0039 0.0034 -0.0157 158 ASP 18 HB3 -0.0027 0.0006 -0.0216 159 PHE 19 N -0.0002 0.0008 -0.0046 160 PHE 19 CA 0.0004 -0.0016 -0.0046 161 PHE 19 C -0.0002 -0.0038 -0.0041 162 PHE 19 O -0.0021 -0.0039 -0.0031 163 PHE 19 CB -0.0009 -0.0018 -0.0039 164 PHE 19 CG -0.0002 0.0002 -0.0045 165 PHE 19 CD1 0.0018 -0.0002 -0.0055 166 PHE 19 CD2 -0.0014 0.0025 -0.0041 167 PHE 19 CE1 0.0026 0.0017 -0.0061 168 PHE 19 CE2 -0.0006 0.0043 -0.0046 169 PHE 19 CZ 0.0013 0.0039 -0.0056 170 PHE 19 H -0.0016 0.0011 -0.0038 171 PHE 19 HA 0.0020 -0.0018 -0.0055 172 PHE 19 HB2 -0.0025 -0.0015 -0.0031 173 PHE 19 HB3 -0.0006 -0.0034 -0.0039 174 PHE 19 HD1 0.0027 -0.0017 -0.0058 175 PHE 19 HD2 -0.0027 0.0028 -0.0034 176 PHE 19 HE1 0.0039 0.0014 -0.0068 177 PHE 19 HE2 -0.0015 0.0058 -0.0043 178 PHE 19 HZ 0.0018 0.0051 -0.0060 179 PRO 20 N -0.0030 -0.0035 -0.0017 180 PRO 20 CA -0.0053 -0.0028 -0.0029 181 PRO 20 C -0.0056 -0.0041 -0.0056 182 PRO 20 O -0.0040 -0.0055 -0.0065 183 PRO 20 CB -0.0055 -0.0022 -0.0021 184 PRO 20 CG -0.0037 -0.0021 0.0001 185 PRO 20 CD -0.0017 -0.0034 -0.0002 186 PRO 20 HA -0.0064 -0.0019 -0.0025 187 PRO 20 HB2 -0.0053 -0.0030 -0.0032 188 PRO 20 HB3 -0.0070 -0.0012 -0.0018 189 PRO 20 HG2 -0.0032 -0.0022 0.0004 190 PRO 20 HG3 -0.0042 -0.0010 0.0014 191 PRO 20 HD2 -0.0008 -0.0045 -0.0011 192 PRO 20 HD3 -0.0008 -0.0032 0.0013 193 VAL 21 N -0.0107 -0.0089 -0.0060 194 VAL 21 CA -0.0099 -0.0080 -0.0078 195 VAL 21 C -0.0110 -0.0068 -0.0086 196 VAL 21 O -0.0127 -0.0062 -0.0083 197 VAL 21 CB -0.0100 -0.0075 -0.0083 198 VAL 21 CG1 -0.0096 -0.0063 -0.0102 199 VAL 21 CG2 -0.0086 -0.0087 -0.0077 200 VAL 21 H -0.0112 -0.0091 -0.0055 201 VAL 21 HA -0.0086 -0.0084 -0.0080 202 VAL 21 HB -0.0112 -0.0073 -0.0079 203 VAL 21 HG11 -0.0093 -0.0062 -0.0105 204 VAL 21 HG12 -0.0107 -0.0056 -0.0105 205 VAL 21 HG13 -0.0086 -0.0065 -0.0107 206 VAL 21 HG21 -0.0087 -0.0084 -0.0080 207 VAL 21 HG22 -0.0074 -0.0089 -0.0081 208 VAL 21 HG23 -0.0090 -0.0094 -0.0065 209 GLY 22 N -0.0057 -0.0031 -0.0057 210 GLY 22 CA -0.0058 -0.0026 -0.0043 211 GLY 22 C -0.0061 -0.0029 -0.0021 212 GLY 22 O -0.0062 -0.0024 -0.0009 213 GLY 22 H -0.0059 -0.0042 -0.0063 214 GLY 22 HA2 -0.0059 -0.0034 -0.0046 215 GLY 22 HA3 -0.0054 -0.0012 -0.0044 216 ILE 23 N -0.0045 -0.0032 -0.0061 217 ILE 23 CA -0.0035 -0.0032 -0.0047 218 ILE 23 C 0.0016 -0.0040 -0.0033 219 ILE 23 O 0.0031 -0.0038 0.0004 220 ILE 23 CB -0.0067 -0.0021 -0.0006 221 ILE 23 CG1 -0.0118 -0.0014 -0.0022 222 ILE 23 CG2 -0.0055 -0.0022 0.0011 223 ILE 23 CD1 -0.0153 -0.0004 0.0010 224 ILE 23 H -0.0039 -0.0030 -0.0039 225 ILE 23 HA -0.0041 -0.0033 -0.0074 226 ILE 23 HB -0.0062 -0.0019 0.0021 227 ILE 23 HG12 -0.0122 -0.0017 -0.0053 228 ILE 23 HG13 -0.0126 -0.0013 -0.0024 229 ILE 23 HG21 -0.0076 -0.0015 0.0037 230 ILE 23 HG22 -0.0023 -0.0026 0.0023 231 ILE 23 HG23 -0.0059 -0.0024 -0.0015 232 ILE 23 HD11 -0.0184 0.0001 0.0001 233 ILE 23 HD12 -0.0146 -0.0002 0.0043 234 ILE 23 HD13 -0.0151 -0.0005 0.0007 235 PRO 24 N 0.0019 0.0012 -0.0022 236 PRO 24 CA 0.0030 0.0003 -0.0018 237 PRO 24 C 0.0024 -0.0005 -0.0002 238 PRO 24 O 0.0009 -0.0002 0.0003 239 PRO 24 CB 0.0030 0.0011 -0.0028 240 PRO 24 CG 0.0026 0.0022 -0.0040 241 PRO 24 CD 0.0014 0.0023 -0.0035 242 PRO 24 HA 0.0041 -0.0000 -0.0019 243 PRO 24 HB2 0.0022 0.0011 -0.0023 244 PRO 24 HB3 0.0041 0.0007 -0.0030 245 PRO 24 HG2 0.0022 0.0028 -0.0045 246 PRO 24 HG3 0.0036 0.0022 -0.0047 247 PRO 24 HD2 0.0003 0.0026 -0.0032 248 PRO 24 HD3 0.0014 0.0028 -0.0041 249 LYS 25 N 0.0073 -0.0034 -0.0003 250 LYS 25 CA 0.0079 -0.0036 0.0031 251 LYS 25 C 0.0107 -0.0057 0.0036 252 LYS 25 O 0.0121 -0.0069 0.0020 253 LYS 25 CB 0.0071 -0.0029 0.0047 254 LYS 25 CG 0.0043 -0.0007 0.0049 255 LYS 25 CD 0.0033 0.0003 0.0069 256 LYS 25 CE 0.0005 0.0024 0.0064 257 LYS 25 NZ -0.0009 0.0037 0.0093 258 LYS 25 H 0.0081 -0.0041 -0.0013 259 LYS 25 HA 0.0070 -0.0029 0.0040 260 LYS 25 HB2 0.0077 -0.0034 0.0034 261 LYS 25 HB3 0.0079 -0.0033 0.0068 262 LYS 25 HG2 0.0035 -0.0002 0.0028 263 LYS 25 HG3 0.0040 -0.0003 0.0058 264 LYS 25 HD2 0.0036 0.0002 0.0091 265 LYS 25 HD3 0.0041 -0.0004 0.0064 266 LYS 25 HE2 0.0001 0.0026 0.0057 267 LYS 25 HE3 -0.0001 0.0028 0.0048 268 LYS 25 HZ1 -0.0025 0.0049 0.0089 269 LYS 25 HZ2 -0.0006 0.0035 0.0100 270 LYS 25 HZ3 -0.0004 0.0034 0.0108 271 LYS 26 N 0.0149 0.0028 0.0023 272 LYS 26 CA 0.0158 -0.0062 0.0054 273 LYS 26 C 0.0165 -0.0126 0.0074 274 LYS 26 O 0.0144 -0.0103 0.0123 275 LYS 26 CB 0.0127 -0.0047 0.0136 276 LYS 26 CG 0.0132 -0.0125 0.0170 277 LYS 26 CD 0.0106 -0.0090 0.0225 278 LYS 26 CE 0.0068 -0.0017 0.0290 279 LYS 26 NZ 0.0043 -0.0027 0.0370 280 LYS 26 H 0.0127 0.0060 0.0066 281 LYS 26 HA 0.0179 -0.0091 0.0010 282 LYS 26 HB2 0.0121 0.0004 0.0121 283 LYS 26 HB3 0.0108 -0.0033 0.0184 284 LYS 26 HG2 0.0129 -0.0167 0.0209 285 LYS 26 HG3 0.0156 -0.0156 0.0121 286 LYS 26 HD2 0.0106 -0.0142 0.0259 287 LYS 26 HD3 0.0114 -0.0063 0.0183 288 LYS 26 HE2 0.0064 0.0044 0.0261 289 LYS 26 HE3 0.0063 -0.0024 0.0311 290 LYS 26 HZ1 0.0054 -0.0049 0.0354 291 LYS 26 HZ2 0.0024 0.0027 0.0393 292 LYS 26 HZ3 0.0038 -0.0066 0.0411 293 VAL 27 N 0.0169 -0.0074 0.0064 294 VAL 27 CA 0.0166 -0.0045 0.0058 295 VAL 27 C 0.0167 -0.0071 0.0062 296 VAL 27 O 0.0157 -0.0112 0.0064 297 VAL 27 CB 0.0127 -0.0019 0.0034 298 VAL 27 CG1 0.0126 0.0010 0.0029 299 VAL 27 CG2 0.0090 -0.0051 0.0019 300 VAL 27 H 0.0154 -0.0099 0.0060 301 VAL 27 HA 0.0190 -0.0024 0.0067 302 VAL 27 HB 0.0126 0.0001 0.0031 303 VAL 27 HG11 0.0103 0.0028 0.0014 304 VAL 27 HG12 0.0151 0.0030 0.0039 305 VAL 27 HG13 0.0125 -0.0010 0.0031 306 VAL 27 HG21 0.0066 -0.0035 0.0005 307 VAL 27 HG22 0.0093 -0.0075 0.0024 308 VAL 27 HG23 0.0087 -0.0064 0.0020 309 ALA 28 N 0.0229 0.0003 0.0087 310 ALA 28 CA 0.0244 -0.0027 0.0092 311 ALA 28 C 0.0108 -0.0037 0.0056 312 ALA 28 O 0.0013 0.0031 0.0029 313 ALA 28 CB 0.0321 0.0089 0.0108 314 ALA 28 H 0.0248 0.0087 0.0089 315 ALA 28 HA 0.0290 -0.0114 0.0107 316 ALA 28 HB1 0.0330 0.0068 0.0111 317 ALA 28 HB2 0.0408 0.0097 0.0131 318 ALA 28 HB3 0.0272 0.0174 0.0093 319 VAL 29 N 0.0052 -0.0064 0.0024 320 VAL 29 CA 0.0006 -0.0068 0.0009 321 VAL 29 C 0.0002 -0.0064 0.0005 322 VAL 29 O 0.0013 -0.0090 0.0024 323 VAL 29 CB -0.0020 -0.0109 0.0022 324 VAL 29 CG1 -0.0069 -0.0110 0.0005 325 VAL 29 CG2 -0.0012 -0.0116 0.0029 326 VAL 29 H 0.0064 -0.0082 0.0039 327 VAL 29 HA -0.0006 -0.0047 -0.0007 328 VAL 29 HB -0.0010 -0.0130 0.0038 329 VAL 29 HG11 -0.0085 -0.0134 0.0012 330 VAL 29 HG12 -0.0074 -0.0111 0.0003 331 VAL 29 HG13 -0.0077 -0.0086 -0.0012 332 VAL 29 HG21 -0.0030 -0.0140 0.0036 333 VAL 29 HG22 -0.0018 -0.0093 0.0014 334 VAL 29 HG23 0.0018 -0.0118 0.0042 335 THR 30 N -0.0027 -0.0089 -0.0028 336 THR 30 CA 0.0037 -0.0038 -0.0007 337 THR 30 C -0.0058 -0.0022 -0.0037 338 THR 30 O -0.0141 0.0063 -0.0062 339 THR 30 CB 0.0100 0.0094 0.0014 340 THR 30 OG1 0.0009 0.0182 -0.0014 341 THR 30 CG2 0.0207 0.0073 0.0047 342 THR 30 H -0.0094 -0.0044 -0.0048 343 THR 30 HA 0.0101 -0.0100 0.0012 344 THR 30 HB 0.0135 0.0132 0.0025 345 THR 30 HG1 -0.0045 0.0205 -0.0030 346 THR 30 HG21 0.0254 0.0155 0.0063 347 THR 30 HG22 0.0264 0.0005 0.0065 348 THR 30 HG23 0.0172 0.0046 0.0036 349 SER 31 N -0.0031 -0.0051 -0.0082 350 SER 31 CA -0.0012 -0.0013 -0.0044 351 SER 31 C 0.0037 0.0047 0.0010 352 SER 31 O 0.0090 0.0056 -0.0002 353 SER 31 CB 0.0039 -0.0035 -0.0091 354 SER 31 OG 0.0063 0.0004 -0.0053 355 SER 31 H 0.0003 -0.0071 -0.0120 356 SER 31 HA -0.0064 -0.0012 -0.0022 357 SER 31 HB2 0.0005 -0.0072 -0.0122 358 SER 31 HB3 0.0089 -0.0039 -0.0117 359 SER 31 HG 0.0090 -0.0009 -0.0080 360 SER 32 N 0.0118 -0.0120 -0.0064 361 SER 32 CA 0.0318 0.0432 -0.0056 362 SER 32 C 0.0670 0.1138 -0.0327 363 SER 32 O 0.0900 0.1574 -0.0533 364 SER 32 CB 0.0108 0.0592 0.0722 365 SER 32 OG -0.0017 0.0748 0.1250 366 SER 32 H -0.0056 -0.0194 0.0364 367 SER 32 HA 0.0361 0.0244 -0.0380 368 SER 32 HB2 0.0256 0.1010 0.0738 369 SER 32 HB3 -0.0088 0.0167 0.0841 370 SER 32 HG -0.0143 0.0803 0.1675 371 LYS 33 N 0.0168 -0.0222 0.0093 372 LYS 33 CA 0.0283 -0.0117 0.0061 373 LYS 33 C 0.0244 -0.0087 -0.0056 374 LYS 33 O 0.0144 -0.0112 -0.0158 375 LYS 33 CB 0.0361 -0.0033 0.0013 376 LYS 33 CG 0.0433 -0.0042 0.0139 377 LYS 33 CD 0.0470 0.0014 0.0084 378 LYS 33 CE 0.0562 0.0021 0.0208 379 LYS 33 NZ 0.0551 0.0027 0.0182 380 LYS 33 H 0.0150 -0.0218 0.0060 381 LYS 33 HA 0.0339 -0.0120 0.0149 382 LYS 33 HB2 0.0302 -0.0041 -0.0060 383 LYS 33 HB3 0.0426 0.0038 -0.0027 384 LYS 33 HG2 0.0513 -0.0010 0.0195 385 LYS 33 HG3 0.0377 -0.0117 0.0202 386 LYS 33 HD2 0.0391 -0.0026 0.0045 387 LYS 33 HD3 0.0514 0.0086 0.0009 388 LYS 33 HE2 0.0651 0.0085 0.0218 389 LYS 33 HE3 0.0540 -0.0043 0.0299 390 LYS 33 HZ1 0.0605 0.0029 0.0257 391 LYS 33 HZ2 0.0470 -0.0031 0.0172 392 LYS 33 HZ3 0.0573 0.0085 0.0100 393 MET 34 N 0.0030 -0.0024 -0.0212 394 MET 34 CA 0.0086 -0.0068 -0.0029 395 MET 34 C 0.0035 -0.0274 0.0061 396 MET 34 O 0.0066 -0.0335 0.0201 397 MET 34 CB 0.0100 -0.0015 -0.0049 398 MET 34 CG 0.0167 0.0195 -0.0102 399 MET 34 SD 0.0302 0.0317 0.0102 400 MET 34 CE 0.0339 0.0359 0.0150 401 MET 34 H -0.0030 -0.0084 -0.0298 402 MET 34 HA 0.0153 0.0009 0.0057 403 MET 34 HB2 0.0033 -0.0078 -0.0148 404 MET 34 HB3 0.0131 -0.0057 0.0071 405 MET 34 HG2 0.0159 0.0251 -0.0180 406 MET 34 HG3 0.0146 0.0212 -0.0171 407 MET 34 HE1 0.0413 0.0462 0.0224 408 MET 34 HE2 0.0320 0.0246 0.0221 409 MET 34 HE3 0.0304 0.0391 0.0031 410 ASP 35 N 0.0079 -0.0550 -0.0084 411 ASP 35 CA 0.0010 -0.0565 -0.0021 412 ASP 35 C -0.0087 -0.0351 0.0116 413 ASP 35 O -0.0061 -0.0163 0.0129 414 ASP 35 CB 0.0159 -0.0572 -0.0165 415 ASP 35 CG 0.0291 -0.0352 -0.0247 416 ASP 35 OD1 0.0394 -0.0329 -0.0341 417 ASP 35 OD2 0.0289 -0.0193 -0.0212 418 ASP 35 H 0.0191 -0.0511 -0.0184 419 ASP 35 HA -0.0074 -0.0709 0.0030 420 ASP 35 HB2 0.0111 -0.0586 -0.0122 421 ASP 35 HB3 0.0218 -0.0709 -0.0250 422 ALA 36 N -0.0209 -0.0712 -0.0178 423 ALA 36 CA -0.0693 -0.0234 -0.0144 424 ALA 36 C -0.0117 0.0145 0.0317 425 ALA 36 O -0.0198 0.0079 0.0246 426 ALA 36 CB -0.1394 0.0443 -0.0102 427 ALA 36 H -0.0392 -0.0550 -0.0175 428 ALA 36 HA -0.0961 -0.0608 -0.0463 429 ALA 36 HB1 -0.1714 0.0761 -0.0078 430 ALA 36 HB2 -0.1776 0.0180 -0.0415 431 ALA 36 HB3 -0.1125 0.0807 0.0212 432 TRP 37 N -0.0141 -0.0087 -0.0043 433 TRP 37 CA -0.0099 -0.0040 -0.0017 434 TRP 37 C -0.0023 0.0057 -0.0056 435 TRP 37 O 0.0030 0.0115 0.0005 436 TRP 37 CB -0.0137 -0.0079 -0.0077 437 TRP 37 CG -0.0097 -0.0033 -0.0052 438 TRP 37 CD1 -0.0107 -0.0055 0.0035 439 TRP 37 CD2 -0.0041 0.0042 -0.0115 440 TRP 37 NE1 -0.0061 0.0001 0.0031 441 TRP 37 CE2 -0.0020 0.0061 -0.0060 442 TRP 37 CE3 -0.0007 0.0094 -0.0211 443 TRP 37 CZ2 0.0033 0.0130 -0.0098 444 TRP 37 CZ3 0.0046 0.0163 -0.0250 445 TRP 37 CH2 0.0066 0.0180 -0.0193 446 TRP 37 H -0.0180 -0.0130 -0.0086 447 TRP 37 HA -0.0097 -0.0046 0.0065 448 TRP 37 HB2 -0.0186 -0.0140 -0.0052 449 TRP 37 HB3 -0.0140 -0.0073 -0.0158 450 TRP 37 HD1 -0.0140 -0.0100 0.0089 451 TRP 37 HE1 -0.0059 -0.0001 0.0079 452 TRP 37 HE3 -0.0020 0.0083 -0.0250 453 TRP 37 HZ2 0.0046 0.0141 -0.0061 454 TRP 37 HZ3 0.0070 0.0198 -0.0314 455 TRP 37 HH2 0.0101 0.0226 -0.0220 456 ASN 38 N 0.0062 0.0088 -0.0173 457 ASN 38 CA 0.0057 0.0119 -0.0178 458 ASN 38 C -0.0023 0.0132 -0.0118 459 ASN 38 O -0.0045 0.0196 -0.0118 460 ASN 38 CB 0.0109 0.0052 -0.0201 461 ASN 38 CG 0.0188 0.0077 -0.0269 462 ASN 38 OD1 0.0198 0.0148 -0.0295 463 ASN 38 ND2 0.0243 0.0019 -0.0298 464 ASN 38 H 0.0084 0.0032 -0.0176 465 ASN 38 HA 0.0075 0.0179 -0.0207 466 ASN 38 HB2 0.0113 -0.0010 -0.0189 467 ASN 38 HB3 0.0087 0.0052 -0.0184 468 ASN 38 HD21 0.0289 0.0031 -0.0336 469 ASN 38 HD22 0.0234 -0.0030 -0.0278 470 ILE 39 N 0.0029 0.0087 -0.0053 471 ILE 39 CA 0.0047 0.0127 0.0013 472 ILE 39 C 0.0063 0.0174 0.0116 473 ILE 39 O 0.0113 0.0247 0.0152 474 ILE 39 CB -0.0011 0.0059 0.0038 475 ILE 39 CG1 -0.0023 0.0017 -0.0065 476 ILE 39 CG2 0.0008 0.0104 0.0116 477 ILE 39 CD1 -0.0090 -0.0063 -0.0048 478 ILE 39 H -0.0012 0.0032 -0.0066 479 ILE 39 HA 0.0087 0.0168 -0.0026 480 ILE 39 HB -0.0054 0.0014 0.0071 481 ILE 39 HG12 0.0015 0.0059 -0.0092 482 ILE 39 HG13 -0.0027 -0.0001 -0.0117 483 ILE 39 HG21 -0.0024 0.0065 0.0121 484 ILE 39 HG22 0.0005 0.0119 0.0186 485 ILE 39 HG23 0.0054 0.0156 0.0088 486 ILE 39 HD11 -0.0097 -0.0090 -0.0117 487 ILE 39 HD12 -0.0128 -0.0103 -0.0014 488 ILE 39 HD13 -0.0085 -0.0044 -0.0002 489 PHE 40 N -0.0053 0.0260 0.0047 490 PHE 40 CA 0.0023 0.0094 0.0074 491 PHE 40 C -0.0101 0.0093 0.0003 492 PHE 40 O -0.0025 0.0102 0.0048 493 PHE 40 CB 0.0022 -0.0132 0.0053 494 PHE 40 CG 0.0077 -0.0322 0.0066 495 PHE 40 CD1 0.0272 -0.0389 0.0172 496 PHE 40 CD2 -0.0066 -0.0440 -0.0027 497 PHE 40 CE1 0.0323 -0.0566 0.0184 498 PHE 40 CE2 -0.0015 -0.0616 -0.0015 499 PHE 40 CZ 0.0181 -0.0681 0.0092 500 PHE 40 H -0.0087 0.0202 0.0022 501 PHE 40 HA 0.0154 0.0127 0.0153 502 PHE 40 HB2 0.0116 -0.0131 0.0106 503 PHE 40 HB3 -0.0109 -0.0154 -0.0025 504 PHE 40 HD1 0.0369 -0.0311 0.0235 505 PHE 40 HD2 -0.0197 -0.0396 -0.0099 506 PHE 40 HE1 0.0455 -0.0608 0.0256 507 PHE 40 HE2 -0.0111 -0.0693 -0.0077 508 PHE 40 HZ 0.0216 -0.0809 0.0100 509 GLU 41 N -0.0067 0.0028 -0.0091 510 GLU 41 CA -0.0099 0.0041 -0.0120 511 GLU 41 C -0.0095 0.0116 -0.0111 512 GLU 41 O -0.0101 0.0129 -0.0116 513 GLU 41 CB -0.0155 0.0025 -0.0172 514 GLU 41 CG -0.0183 -0.0015 -0.0201 515 GLU 41 CD -0.0160 -0.0089 -0.0185 516 GLU 41 OE1 -0.0127 -0.0113 -0.0156 517 GLU 41 OE2 -0.0174 -0.0122 -0.0200 518 GLU 41 H -0.0083 0.0018 -0.0107 519 GLU 41 HA -0.0088 0.0010 -0.0112 520 GLU 41 HB2 -0.0155 -0.0003 -0.0175 521 GLU 41 HB3 -0.0174 0.0069 -0.0187 522 GLU 41 HG2 -0.0219 -0.0018 -0.0234 523 GLU 41 HG3 -0.0180 0.0011 -0.0197 524 GLY 42 N -0.0075 0.0107 -0.0081 525 GLY 42 CA -0.0042 0.0106 -0.0100 526 GLY 42 C -0.0005 0.0092 -0.0105 527 GLY 42 O 0.0024 0.0081 -0.0107 528 GLY 42 H -0.0091 0.0123 -0.0092 529 GLY 42 HA2 -0.0039 0.0096 -0.0088 530 GLY 42 HA3 -0.0045 0.0123 -0.0122 531 LEU 43 N 0.0062 -0.0056 -0.0022 532 LEU 43 CA -0.0025 -0.0048 -0.0072 533 LEU 43 C -0.0015 0.0038 -0.0047 534 LEU 43 O -0.0061 0.0025 -0.0077 535 LEU 43 CB -0.0125 -0.0010 -0.0123 536 LEU 43 CG -0.0155 -0.0096 -0.0161 537 LEU 43 CD1 -0.0233 -0.0035 -0.0194 538 LEU 43 CD2 -0.0200 -0.0199 -0.0212 539 LEU 43 H 0.0050 -0.0017 -0.0020 540 LEU 43 HA -0.0030 -0.0125 -0.0092 541 LEU 43 HB2 -0.0116 0.0063 -0.0102 542 LEU 43 HB3 -0.0181 0.0002 -0.0155 543 LEU 43 HG -0.0094 -0.0127 -0.0132 544 LEU 43 HD11 -0.0252 -0.0091 -0.0218 545 LEU 43 HD12 -0.0202 0.0028 -0.0161 546 LEU 43 HD13 -0.0293 -0.0002 -0.0223 547 LEU 43 HD21 -0.0221 -0.0252 -0.0236 548 LEU 43 HD22 -0.0260 -0.0168 -0.0241 549 LEU 43 HD23 -0.0149 -0.0239 -0.0190 550 VAL 44 N -0.0015 0.0096 -0.0027 551 VAL 44 CA -0.0007 0.0094 -0.0001 552 VAL 44 C -0.0001 0.0124 -0.0034 553 VAL 44 O 0.0021 0.0149 -0.0014 554 VAL 44 CB -0.0032 0.0042 0.0015 555 VAL 44 CG1 -0.0065 0.0015 -0.0030 556 VAL 44 CG2 -0.0027 0.0041 0.0033 557 VAL 44 H -0.0034 0.0079 -0.0050 558 VAL 44 HA 0.0012 0.0107 0.0031 559 VAL 44 HB -0.0032 0.0027 0.0044 560 VAL 44 HG11 -0.0078 -0.0007 -0.0029 561 VAL 44 HG12 -0.0074 -0.0002 -0.0026 562 VAL 44 HG13 -0.0063 0.0038 -0.0062 563 VAL 44 HG21 -0.0039 0.0010 0.0052 564 VAL 44 HG22 -0.0033 0.0048 0.0003 565 VAL 44 HG23 -0.0004 0.0065 0.0056 566 VAL 44 N -0.0015 0.0096 -0.0027 567 VAL 44 CA -0.0009 0.0092 -0.0001 568 VAL 44 C -0.0004 0.0119 -0.0033 569 VAL 44 O 0.0014 0.0135 -0.0010 570 VAL 44 CB -0.0033 0.0039 0.0017 571 VAL 44 CG1 -0.0035 0.0013 0.0057 572 VAL 44 CG2 -0.0065 0.0014 -0.0029 573 VAL 44 H -0.0034 0.0080 -0.0052 574 VAL 44 HA 0.0011 0.0105 0.0030 575 VAL 44 HB -0.0027 0.0039 0.0034 576 VAL 44 HG11 -0.0033 -0.0002 0.0088 577 VAL 44 HG12 -0.0017 0.0036 0.0067 578 VAL 44 HG13 -0.0054 -0.0011 0.0042 579 VAL 44 HG21 -0.0081 -0.0020 -0.0018 580 VAL 44 HG22 -0.0068 0.0025 -0.0055 581 VAL 44 HG23 -0.0067 0.0020 -0.0044 582 MET 45 N 0.0021 0.0019 -0.0032 583 MET 45 CA 0.0026 0.0011 -0.0020 584 MET 45 C 0.0031 0.0007 -0.0026 585 MET 45 O 0.0028 0.0009 -0.0020 586 MET 45 CB 0.0018 0.0017 -0.0004 587 MET 45 CG 0.0013 0.0022 0.0005 588 MET 45 SD 0.0021 0.0010 0.0018 589 MET 45 CE 0.0021 0.0008 0.0035 590 MET 45 H 0.0015 0.0026 -0.0035 591 MET 45 HA 0.0032 0.0004 -0.0017 592 MET 45 HB2 0.0012 0.0025 -0.0007 593 MET 45 HB3 0.0022 0.0012 0.0003 594 MET 45 HG2 0.0012 0.0025 -0.0003 595 MET 45 HG3 0.0007 0.0028 0.0011 596 MET 45 HE1 0.0025 0.0002 0.0043 597 MET 45 HE2 0.0014 0.0015 0.0039 598 MET 45 HE3 0.0025 0.0004 0.0031 599 GLY 46 N 0.0099 -0.0091 0.0028 600 GLY 46 CA 0.0106 -0.0129 0.0020 601 GLY 46 C 0.0127 -0.0178 0.0028 602 GLY 46 O 0.0132 -0.0212 0.0017 603 GLY 46 H 0.0088 -0.0093 0.0008 604 GLY 46 HA2 0.0114 -0.0120 0.0038 605 GLY 46 HA3 0.0090 -0.0132 -0.0011 606 SER 47 N 0.0127 -0.0221 0.0090 607 SER 47 CA 0.0131 -0.0198 0.0085 608 SER 47 C 0.0129 -0.0196 0.0075 609 SER 47 O 0.0127 -0.0210 0.0079 610 SER 47 CB 0.0140 -0.0185 0.0105 611 SER 47 OG 0.0142 -0.0195 0.0122 612 SER 47 H 0.0126 -0.0229 0.0093 613 SER 47 HA 0.0130 -0.0193 0.0074 614 SER 47 HB2 0.0142 -0.0171 0.0102 615 SER 47 HB3 0.0141 -0.0184 0.0110 616 SER 47 HG 0.0145 -0.0196 0.0134 617 VAL 48 N 0.0099 -0.0119 0.0016 618 VAL 48 CA 0.0088 -0.0130 0.0018 619 VAL 48 C 0.0096 -0.0126 0.0019 620 VAL 48 O 0.0106 -0.0111 0.0015 621 VAL 48 CB 0.0066 -0.0127 0.0012 622 VAL 48 CG1 0.0056 -0.0133 0.0013 623 VAL 48 CG2 0.0063 -0.0106 0.0004 624 VAL 48 H 0.0101 -0.0107 0.0013 625 VAL 48 HA 0.0090 -0.0143 0.0024 626 VAL 48 HB 0.0059 -0.0134 0.0014 627 VAL 48 HG11 0.0042 -0.0131 0.0009 628 VAL 48 HG12 0.0057 -0.0146 0.0018 629 VAL 48 HG13 0.0062 -0.0126 0.0011 630 VAL 48 HG21 0.0049 -0.0104 -0.0000 631 VAL 48 HG22 0.0070 -0.0098 0.0002 632 VAL 48 HG23 0.0067 -0.0103 0.0003 633 TRP 49 N 0.0118 -0.0098 -0.0010 634 TRP 49 CA 0.0105 -0.0070 -0.0018 635 TRP 49 C 0.0113 -0.0069 -0.0044 636 TRP 49 O 0.0125 -0.0079 -0.0067 637 TRP 49 CB 0.0099 -0.0052 -0.0028 638 TRP 49 CG 0.0087 -0.0045 -0.0003 639 TRP 49 CD1 0.0090 -0.0055 0.0005 640 TRP 49 CD2 0.0071 -0.0027 0.0017 641 TRP 49 NE1 0.0077 -0.0044 0.0029 642 TRP 49 CE2 0.0065 -0.0026 0.0036 643 TRP 49 CE3 0.0062 -0.0010 0.0020 644 TRP 49 CZ2 0.0049 -0.0010 0.0059 645 TRP 49 CZ3 0.0046 0.0006 0.0043 646 TRP 49 CH2 0.0040 0.0006 0.0062 647 TRP 49 H 0.0123 -0.0103 -0.0020 648 TRP 49 HA 0.0096 -0.0063 -0.0001 649 TRP 49 HB2 0.0108 -0.0062 -0.0040 650 TRP 49 HB3 0.0093 -0.0035 -0.0039 651 TRP 49 HD1 0.0099 -0.0067 -0.0005 652 TRP 49 HE1 0.0076 -0.0047 0.0038 653 TRP 49 HE3 0.0065 -0.0010 0.0008 654 TRP 49 HZ2 0.0045 -0.0010 0.0072 655 TRP 49 HZ3 0.0040 0.0016 0.0045 656 TRP 49 HH2 0.0029 0.0017 0.0077 657 VAL 50 N 0.0065 -0.0072 -0.0028 658 VAL 50 CA 0.0042 -0.0063 -0.0037 659 VAL 50 C 0.0033 -0.0062 -0.0041 660 VAL 50 O 0.0042 -0.0051 -0.0035 661 VAL 50 CB 0.0040 -0.0039 -0.0034 662 VAL 50 CG1 0.0016 -0.0031 -0.0042 663 VAL 50 CG2 0.0051 -0.0039 -0.0029 664 VAL 50 H 0.0073 -0.0062 -0.0023 665 VAL 50 HA 0.0034 -0.0074 -0.0042 666 VAL 50 HB 0.0047 -0.0028 -0.0029 667 VAL 50 HG11 0.0014 -0.0017 -0.0041 668 VAL 50 HG12 0.0010 -0.0027 -0.0044 669 VAL 50 HG13 0.0008 -0.0044 -0.0048 670 VAL 50 HG21 0.0048 -0.0024 -0.0028 671 VAL 50 HG22 0.0045 -0.0052 -0.0034 672 VAL 50 HG23 0.0067 -0.0043 -0.0023 673 ILE 51 N 0.0019 -0.0055 -0.0064 674 ILE 51 CA 0.0019 -0.0050 -0.0066 675 ILE 51 C 0.0018 -0.0049 -0.0072 676 ILE 51 O 0.0017 -0.0052 -0.0076 677 ILE 51 CB 0.0019 -0.0051 -0.0065 678 ILE 51 CG1 0.0020 -0.0053 -0.0059 679 ILE 51 CG2 0.0019 -0.0045 -0.0066 680 ILE 51 CD1 0.0019 -0.0059 -0.0060 681 ILE 51 H 0.0018 -0.0058 -0.0066 682 ILE 51 HA 0.0019 -0.0047 -0.0064 683 ILE 51 HB 0.0018 -0.0053 -0.0068 684 ILE 51 HG12 0.0020 -0.0051 -0.0058 685 ILE 51 HG13 0.0020 -0.0053 -0.0057 686 ILE 51 HG21 0.0019 -0.0046 -0.0065 687 ILE 51 HG22 0.0019 -0.0044 -0.0070 688 ILE 51 HG23 0.0020 -0.0043 -0.0063 689 ILE 51 HD11 0.0020 -0.0061 -0.0056 690 ILE 51 HD12 0.0019 -0.0062 -0.0061 691 ILE 51 HD13 0.0019 -0.0060 -0.0062 692 ARG 52 N -0.0026 -0.0058 -0.0100 693 ARG 52 CA -0.0025 -0.0063 -0.0082 694 ARG 52 C -0.0029 -0.0072 -0.0081 695 ARG 52 O -0.0036 -0.0081 -0.0091 696 ARG 52 CB -0.0028 -0.0074 -0.0075 697 ARG 52 CG -0.0027 -0.0081 -0.0057 698 ARG 52 CD -0.0032 -0.0093 -0.0054 699 ARG 52 NE -0.0032 -0.0101 -0.0037 700 ARG 52 CZ -0.0036 -0.0113 -0.0031 701 ARG 52 NH1 -0.0041 -0.0117 -0.0041 702 ARG 52 NH2 -0.0035 -0.0119 -0.0015 703 ARG 52 H -0.0031 -0.0064 -0.0105 704 ARG 52 HA -0.0019 -0.0055 -0.0075 705 ARG 52 HB2 -0.0026 -0.0069 -0.0077 706 ARG 52 HB3 -0.0034 -0.0083 -0.0082 707 ARG 52 HG2 -0.0029 -0.0086 -0.0055 708 ARG 52 HG3 -0.0022 -0.0073 -0.0049 709 ARG 52 HD2 -0.0030 -0.0088 -0.0056 710 ARG 52 HD3 -0.0038 -0.0101 -0.0062 711 ARG 52 HE -0.0029 -0.0099 -0.0030 712 ARG 52 HH11 -0.0041 -0.0113 -0.0051 713 ARG 52 HH12 -0.0043 -0.0124 -0.0037 714 ARG 52 HH21 -0.0032 -0.0116 -0.0009 715 ARG 52 HH22 -0.0038 -0.0126 -0.0012 716 GLN 53 N -0.0035 -0.0066 -0.0076 717 GLN 53 CA -0.0035 -0.0081 -0.0061 718 GLN 53 C -0.0034 -0.0089 -0.0056 719 GLN 53 O -0.0036 -0.0080 -0.0061 720 GLN 53 CB -0.0047 -0.0076 -0.0046 721 GLN 53 CG -0.0051 -0.0064 -0.0051 722 GLN 53 CD -0.0042 -0.0074 -0.0056 723 GLN 53 OE1 -0.0039 -0.0089 -0.0047 724 GLN 53 NE2 -0.0038 -0.0066 -0.0070 725 GLN 53 H -0.0042 -0.0056 -0.0072 726 GLN 53 HA -0.0028 -0.0091 -0.0064 727 GLN 53 HB2 -0.0054 -0.0069 -0.0040 728 GLN 53 HB3 -0.0047 -0.0087 -0.0037 729 GLN 53 HG2 -0.0050 -0.0054 -0.0061 730 GLN 53 HG3 -0.0059 -0.0059 -0.0041 731 GLN 53 HE21 -0.0041 -0.0055 -0.0076 732 GLN 53 HE22 -0.0033 -0.0071 -0.0074 733 LYS 54 N 0.0041 -0.0223 -0.0059 734 LYS 54 CA -0.0058 -0.0047 -0.0130 735 LYS 54 C -0.0163 -0.0043 -0.0263 736 LYS 54 O -0.0238 0.0111 -0.0311 737 LYS 54 CB -0.0114 -0.0025 -0.0196 738 LYS 54 CG -0.0039 0.0050 -0.0075 739 LYS 54 CD -0.0083 0.0022 -0.0141 740 LYS 54 CE 0.0027 -0.0030 -0.0017 741 LYS 54 NZ 0.0103 0.0117 0.0127 742 LYS 54 H 0.0049 -0.0292 -0.0070 743 LYS 54 HA -0.0020 0.0060 -0.0048 744 LYS 54 HB2 -0.0124 -0.0150 -0.0247 745 LYS 54 HB3 -0.0195 0.0065 -0.0271 746 LYS 54 HG2 -0.0046 0.0186 -0.0042 747 LYS 54 HG3 0.0048 -0.0020 0.0014 748 LYS 54 HD2 -0.0126 -0.0082 -0.0229 749 LYS 54 HD3 -0.0139 0.0140 -0.0175 750 LYS 54 HE2 0.0080 -0.0152 0.0014 751 LYS 54 HE3 -0.0004 -0.0040 -0.0059 752 LYS 54 HZ1 0.0166 0.0081 0.0197 753 LYS 54 HZ2 0.0056 0.0231 0.0103 754 LYS 54 HZ3 0.0133 0.0129 0.0169 755 ASP 55 N 0.0757 -0.0027 0.0115 756 ASP 55 CA 0.0593 -0.0055 -0.0133 757 ASP 55 C 0.0219 -0.0108 -0.0573 758 ASP 55 O 0.0005 -0.0134 -0.0786 759 ASP 55 CB 0.0357 -0.0023 0.0261 760 ASP 55 CG -0.0171 -0.0020 0.0446 761 ASP 55 OD1 -0.0295 -0.0028 0.0402 762 ASP 55 OD2 -0.0467 -0.0010 0.0635 763 ASP 55 H 0.0541 -0.0011 0.0341 764 ASP 55 HA 0.0896 -0.0060 -0.0276 765 ASP 55 HB2 0.0322 -0.0039 0.0105 766 ASP 55 HB3 0.0583 0.0011 0.0558 767 ASP 56 N -0.0008 -0.0107 -0.0055 768 ASP 56 CA -0.0025 -0.0100 -0.0081 769 ASP 56 C -0.0051 -0.0077 -0.0076 770 ASP 56 O -0.0066 -0.0069 -0.0095 771 ASP 56 CB -0.0019 -0.0109 -0.0093 772 ASP 56 CG 0.0002 -0.0131 -0.0108 773 ASP 56 OD1 0.0008 -0.0138 -0.0115 774 ASP 56 OD2 0.0011 -0.0141 -0.0114 775 ASP 56 H -0.0004 -0.0111 -0.0058 776 ASP 56 HA -0.0025 -0.0105 -0.0096 777 ASP 56 HB2 -0.0015 -0.0107 -0.0076 778 ASP 56 HB3 -0.0032 -0.0101 -0.0107 779 SER 57 N -0.0142 -0.0038 -0.0063 780 SER 57 CA -0.0203 -0.0033 -0.0043 781 SER 57 C -0.0156 -0.0038 -0.0057 782 SER 57 O -0.0077 -0.0055 -0.0065 783 SER 57 CB -0.0240 -0.0071 0.0042 784 SER 57 OG -0.0175 -0.0117 0.0090 785 SER 57 H -0.0130 -0.0064 -0.0025 786 SER 57 HA -0.0249 -0.0002 -0.0074 787 SER 57 HB2 -0.0282 -0.0066 0.0053 788 SER 57 HB3 -0.0267 -0.0070 0.0053 789 SER 57 HG -0.0197 -0.0138 0.0136 790 LEU 58 N -0.0078 -0.0034 -0.0008 791 LEU 58 CA -0.0050 -0.0036 -0.0025 792 LEU 58 C -0.0041 -0.0047 -0.0033 793 LEU 58 O -0.0052 -0.0043 -0.0026 794 LEU 58 CB -0.0036 -0.0006 -0.0027 795 LEU 58 CG -0.0043 0.0008 -0.0020 796 LEU 58 CD1 -0.0053 0.0037 -0.0008 797 LEU 58 CD2 -0.0022 0.0013 -0.0032 798 LEU 58 H -0.0083 -0.0026 -0.0003 799 LEU 58 HA -0.0047 -0.0050 -0.0030 800 LEU 58 HB2 -0.0039 0.0007 -0.0023 801 LEU 58 HB3 -0.0018 -0.0008 -0.0039 802 LEU 58 HG -0.0056 -0.0005 -0.0014 803 LEU 58 HD11 -0.0057 0.0047 -0.0003 804 LEU 58 HD12 -0.0068 0.0033 0.0001 805 LEU 58 HD13 -0.0040 0.0049 -0.0013 806 LEU 58 HD21 -0.0029 0.0022 -0.0026 807 LEU 58 HD22 -0.0009 0.0026 -0.0038 808 LEU 58 HD23 -0.0017 -0.0006 -0.0040 809 LYS 59 N -0.0037 -0.0058 -0.0053 810 LYS 59 CA -0.0031 -0.0073 -0.0049 811 LYS 59 C -0.0019 -0.0070 -0.0038 812 LYS 59 O -0.0013 -0.0059 -0.0033 813 LYS 59 CB -0.0029 -0.0081 -0.0048 814 LYS 59 CG -0.0041 -0.0087 -0.0058 815 LYS 59 CD -0.0040 -0.0090 -0.0057 816 LYS 59 CE -0.0052 -0.0094 -0.0068 817 LYS 59 NZ -0.0053 -0.0111 -0.0069 818 LYS 59 H -0.0033 -0.0051 -0.0049 819 LYS 59 HA -0.0035 -0.0079 -0.0053 820 LYS 59 HB2 -0.0026 -0.0074 -0.0044 821 LYS 59 HB3 -0.0024 -0.0090 -0.0043 822 LYS 59 HG2 -0.0042 -0.0096 -0.0060 823 LYS 59 HG3 -0.0047 -0.0079 -0.0062 824 LYS 59 HD2 -0.0037 -0.0080 -0.0054 825 LYS 59 HD3 -0.0034 -0.0098 -0.0053 826 LYS 59 HE2 -0.0058 -0.0090 -0.0072 827 LYS 59 HE3 -0.0053 -0.0089 -0.0068 828 LYS 59 HZ1 -0.0047 -0.0115 -0.0065 829 LYS 59 HZ2 -0.0052 -0.0115 -0.0069 830 LYS 59 HZ3 -0.0060 -0.0113 -0.0076 831 VAL 60 N -0.0003 -0.0067 -0.0039 832 VAL 60 CA 0.0009 -0.0061 -0.0038 833 VAL 60 C 0.0018 -0.0069 -0.0042 834 VAL 60 O 0.0015 -0.0073 -0.0042 835 VAL 60 CB 0.0009 -0.0049 -0.0034 836 VAL 60 CG1 0.0021 -0.0044 -0.0034 837 VAL 60 CG2 0.0000 -0.0041 -0.0031 838 VAL 60 H -0.0005 -0.0070 -0.0039 839 VAL 60 HA 0.0013 -0.0060 -0.0038 840 VAL 60 HB 0.0005 -0.0050 -0.0034 841 VAL 60 HG11 0.0021 -0.0036 -0.0032 842 VAL 60 HG12 0.0025 -0.0048 -0.0036 843 VAL 60 HG13 0.0026 -0.0045 -0.0035 844 VAL 60 HG21 0.0001 -0.0033 -0.0029 845 VAL 60 HG22 0.0003 -0.0041 -0.0031 846 VAL 60 HG23 -0.0008 -0.0044 -0.0031 847 PHE 61 N 0.0043 -0.0052 -0.0022 848 PHE 61 CA 0.0044 -0.0051 -0.0024 849 PHE 61 C 0.0044 -0.0050 -0.0025 850 PHE 61 O 0.0044 -0.0051 -0.0025 851 PHE 61 CB 0.0043 -0.0052 -0.0026 852 PHE 61 CG 0.0042 -0.0053 -0.0025 853 PHE 61 CD1 0.0043 -0.0052 -0.0025 854 PHE 61 CD2 0.0041 -0.0055 -0.0024 855 PHE 61 CE1 0.0042 -0.0053 -0.0024 856 PHE 61 CE2 0.0040 -0.0056 -0.0023 857 PHE 61 CZ 0.0041 -0.0055 -0.0023 858 PHE 61 H 0.0042 -0.0053 -0.0022 859 PHE 61 HA 0.0044 -0.0050 -0.0023 860 PHE 61 HB2 0.0042 -0.0053 -0.0026 861 PHE 61 HB3 0.0043 -0.0051 -0.0027 862 PHE 61 HD1 0.0044 -0.0051 -0.0025 863 PHE 61 HD2 0.0040 -0.0056 -0.0024 864 PHE 61 HE1 0.0043 -0.0052 -0.0024 865 PHE 61 HE2 0.0039 -0.0057 -0.0023 866 PHE 61 HZ 0.0040 -0.0055 -0.0023 867 SER 62 N 0.0075 -0.0055 0.0003 868 SER 62 CA 0.0070 -0.0057 0.0003 869 SER 62 C 0.0072 -0.0055 0.0006 870 SER 62 O 0.0074 -0.0052 0.0010 871 SER 62 CB 0.0064 -0.0057 0.0006 872 SER 62 OG 0.0060 -0.0058 0.0006 873 SER 62 H 0.0074 -0.0055 0.0004 874 SER 62 HA 0.0069 -0.0059 -0.0000 875 SER 62 HB2 0.0063 -0.0058 0.0004 876 SER 62 HB3 0.0065 -0.0054 0.0010 877 SER 62 HG 0.0060 -0.0059 0.0004 878 THR 63 N 0.0123 -0.0134 0.0032 879 THR 63 CA 0.0096 -0.0120 0.0040 880 THR 63 C 0.0083 -0.0106 0.0042 881 THR 63 O 0.0062 -0.0090 0.0047 882 THR 63 CB 0.0078 -0.0142 0.0053 883 THR 63 OG1 0.0077 -0.0164 0.0059 884 THR 63 CG2 0.0088 -0.0155 0.0052 885 THR 63 H 0.0124 -0.0153 0.0037 886 THR 63 HA 0.0098 -0.0105 0.0036 887 THR 63 HB 0.0060 -0.0132 0.0058 888 THR 63 HG1 0.0067 -0.0177 0.0066 889 THR 63 HG21 0.0075 -0.0168 0.0061 890 THR 63 HG22 0.0088 -0.0139 0.0049 891 THR 63 HG23 0.0106 -0.0164 0.0047 892 ASN 64 N 0.0011 -0.0053 0.0042 893 ASN 64 CA 0.0001 -0.0031 0.0031 894 ASN 64 C 0.0008 -0.0004 0.0023 895 ASN 64 O 0.0032 0.0004 0.0028 896 ASN 64 CB 0.0016 -0.0029 0.0035 897 ASN 64 CG 0.0006 -0.0009 0.0024 898 ASN 64 OD1 -0.0018 -0.0009 0.0016 899 ASN 64 ND2 0.0025 0.0009 0.0024 900 ASN 64 H 0.0027 -0.0056 0.0048 901 ASN 64 HA -0.0018 -0.0034 0.0025 902 ASN 64 HB2 0.0013 -0.0047 0.0040 903 ASN 64 HB3 0.0035 -0.0024 0.0040 904 ASN 64 HD21 0.0020 0.0021 0.0018 905 ASN 64 HD22 0.0042 0.0009 0.0030 906 ASN 64 N 0.0010 -0.0054 0.0042 907 ASN 64 CA 0.0000 -0.0031 0.0030 908 ASN 64 C 0.0007 -0.0005 0.0023 909 ASN 64 O 0.0031 0.0002 0.0029 910 ASN 64 CB 0.0012 -0.0027 0.0033 911 ASN 64 CG 0.0001 -0.0048 0.0037 912 ASN 64 OD1 -0.0022 -0.0061 0.0034 913 ASN 64 ND2 0.0017 -0.0053 0.0044 914 ASN 64 H 0.0026 -0.0058 0.0048 915 ASN 64 HA -0.0019 -0.0034 0.0025 916 ASN 64 HB2 0.0032 -0.0027 0.0039 917 ASN 64 HB3 0.0008 -0.0009 0.0025 918 ASN 64 HD21 0.0012 -0.0065 0.0046 919 ASN 64 HD22 0.0033 -0.0044 0.0046 920 CYS 65 N -0.0038 0.0008 -0.0033 921 CYS 65 CA -0.0038 0.0022 -0.0047 922 CYS 65 C -0.0020 0.0034 -0.0053 923 CYS 65 O -0.0016 0.0037 -0.0054 924 CYS 65 CB -0.0057 0.0027 -0.0059 925 CYS 65 SG -0.0059 0.0044 -0.0075 926 CYS 65 HA -0.0036 0.0020 -0.0044 927 CYS 65 HB2 -0.0069 0.0019 -0.0055 928 CYS 65 HB3 -0.0058 0.0030 -0.0061 929 CYS 65 H -0.0048 0.0005 -0.0034 930 CYS 65 H -0.0048 0.0005 -0.0035 931 PRO 66 N 0.0000 0.0038 -0.0043 932 PRO 66 CA -0.0002 0.0046 -0.0038 933 PRO 66 C 0.0001 0.0045 -0.0045 934 PRO 66 O -0.0001 0.0052 -0.0043 935 PRO 66 CB -0.0007 0.0041 -0.0026 936 PRO 66 CG -0.0006 0.0027 -0.0026 937 PRO 66 CD -0.0002 0.0027 -0.0034 938 PRO 66 HA -0.0003 0.0054 -0.0038 939 PRO 66 HB2 -0.0008 0.0041 -0.0024 940 PRO 66 HB3 -0.0009 0.0046 -0.0020 941 PRO 66 HG2 -0.0004 0.0022 -0.0029 942 PRO 66 HG3 -0.0009 0.0024 -0.0018 943 PRO 66 HD2 -0.0000 0.0019 -0.0038 944 PRO 66 HD3 -0.0004 0.0030 -0.0030 945 HIS 67 N -0.0052 -0.0025 -0.0123 946 HIS 67 CA -0.0047 -0.0029 -0.0128 947 HIS 67 C -0.0043 -0.0017 -0.0137 948 HIS 67 O -0.0047 -0.0009 -0.0135 949 HIS 67 CB -0.0038 -0.0042 -0.0132 950 HIS 67 CG -0.0032 -0.0046 -0.0137 951 HIS 67 ND1 -0.0022 -0.0050 -0.0147 952 HIS 67 CD2 -0.0035 -0.0047 -0.0134 953 HIS 67 CE1 -0.0019 -0.0053 -0.0150 954 HIS 67 NE2 -0.0026 -0.0051 -0.0142 955 HIS 67 H -0.0049 -0.0029 -0.0125 956 HIS 67 HA -0.0051 -0.0030 -0.0122 957 HIS 67 HB2 -0.0041 -0.0049 -0.0126 958 HIS 67 HB3 -0.0034 -0.0040 -0.0137 959 HIS 67 HD2 -0.0041 -0.0045 -0.0127 960 HIS 67 HE1 -0.0012 -0.0056 -0.0156 961 HIS 67 HE2 -0.0026 -0.0053 -0.0142 962 LEU 68 N -0.0168 -0.0017 -0.0221 963 LEU 68 CA -0.0142 0.0060 -0.0293 964 LEU 68 C -0.0090 0.0220 -0.0443 965 LEU 68 O -0.0005 0.0282 -0.0513 966 LEU 68 CB 0.0005 -0.0035 -0.0240 967 LEU 68 CG -0.0067 -0.0175 -0.0103 968 LEU 68 CD1 0.0091 -0.0262 -0.0059 969 LEU 68 CD2 -0.0252 -0.0138 -0.0099 970 LEU 68 H -0.0081 -0.0005 -0.0248 971 LEU 68 HA -0.0266 0.0071 -0.0279 972 LEU 68 HB2 0.0123 -0.0067 -0.0234 973 LEU 68 HB3 0.0036 0.0028 -0.0300 974 LEU 68 HG -0.0101 -0.0237 -0.0043 975 LEU 68 HD11 0.0042 -0.0350 0.0028 976 LEU 68 HD12 0.0205 -0.0292 -0.0055 977 LEU 68 HD13 0.0125 -0.0198 -0.0121 978 LEU 68 HD21 -0.0273 -0.0226 -0.0018 979 LEU 68 HD22 -0.0234 -0.0055 -0.0174 980 LEU 68 HD23 -0.0363 -0.0109 -0.0102 981 GLY 69 N -0.0087 0.0064 -0.0100 982 GLY 69 CA -0.0086 0.0039 -0.0051 983 GLY 69 C -0.0136 0.0020 -0.0033 984 GLY 69 O -0.0136 -0.0001 0.0008 985 GLY 69 H -0.0091 0.0067 -0.0107 986 GLY 69 HA2 -0.0074 0.0034 -0.0035 987 GLY 69 HA3 -0.0063 0.0041 -0.0044 988 CYS 70 N -0.0208 0.0038 0.0027 989 CYS 70 CA -0.0243 0.0040 0.0050 990 CYS 70 C -0.0218 0.0031 0.0036 991 CYS 70 O -0.0175 0.0035 0.0005 992 CYS 70 CB -0.0279 0.0094 0.0056 993 CYS 70 SG -0.0322 0.0101 0.0083 994 CYS 70 H -0.0210 0.0068 0.0017 995 CYS 70 HA -0.0262 0.0010 0.0073 996 CYS 70 HB2 -0.0262 0.0124 0.0033 997 CYS 70 HB3 -0.0298 0.0097 0.0068 998 GLY 71 N -0.0240 0.0005 0.0081 999 GLY 71 CA -0.0161 -0.0055 0.0071 1000 GLY 71 C -0.0111 0.0010 0.0077 1001 GLY 71 O -0.0163 0.0065 0.0085 1002 GLY 71 H -0.0304 -0.0012 0.0081 1003 GLY 71 HA2 -0.0106 -0.0078 0.0067 1004 GLY 71 HA3 -0.0195 -0.0116 0.0065 1005 ILE 72 N -0.0024 0.0018 0.0022 1006 ILE 72 CA -0.0009 0.0049 0.0013 1007 ILE 72 C -0.0007 0.0051 0.0011 1008 ILE 72 O -0.0001 0.0027 0.0002 1009 ILE 72 CB 0.0017 0.0050 -0.0010 1010 ILE 72 CG1 0.0016 0.0051 -0.0009 1011 ILE 72 CG2 0.0035 0.0078 -0.0022 1012 ILE 72 CD1 0.0040 0.0048 -0.0031 1013 ILE 72 H -0.0015 0.0002 0.0012 1014 ILE 72 HA -0.0017 0.0068 0.0022 1015 ILE 72 HB 0.0025 0.0029 -0.0019 1016 ILE 72 HG12 0.0010 0.0072 -0.0001 1017 ILE 72 HG13 0.0004 0.0033 -0.0001 1018 ILE 72 HG21 0.0051 0.0080 -0.0036 1019 ILE 72 HG22 0.0038 0.0074 -0.0025 1020 ILE 72 HG23 0.0026 0.0099 -0.0012 1021 ILE 72 HD11 0.0038 0.0054 -0.0028 1022 ILE 72 HD12 0.0045 0.0025 -0.0037 1023 ILE 72 HD13 0.0053 0.0063 -0.0040 1024 ASP 73 N -0.0006 0.0105 -0.0006 1025 ASP 73 CA -0.0017 0.0113 0.0001 1026 ASP 73 C 0.0008 0.0142 -0.0028 1027 ASP 73 O 0.0023 0.0169 -0.0048 1028 ASP 73 CB -0.0058 0.0138 0.0027 1029 ASP 73 CG -0.0086 0.0111 0.0057 1030 ASP 73 OD1 -0.0080 0.0068 0.0066 1031 ASP 73 OD2 -0.0113 0.0133 0.0073 1032 ASP 73 H -0.0014 0.0129 -0.0006 1033 ASP 73 HA -0.0014 0.0083 0.0008 1034 ASP 73 HB2 -0.0060 0.0167 0.0020 1035 ASP 73 HB3 -0.0065 0.0145 0.0030 1036 TRP 74 N -0.0015 0.0182 -0.0052 1037 TRP 74 CA -0.0023 0.0161 -0.0037 1038 TRP 74 C -0.0025 0.0136 -0.0052 1039 TRP 74 O -0.0023 0.0133 -0.0063 1040 TRP 74 CB -0.0029 0.0162 -0.0014 1041 TRP 74 CG -0.0037 0.0139 0.0001 1042 TRP 74 CD1 -0.0042 0.0120 0.0003 1043 TRP 74 CD2 -0.0043 0.0132 0.0016 1044 TRP 74 NE1 -0.0050 0.0103 0.0019 1045 TRP 74 CE2 -0.0050 0.0109 0.0027 1046 TRP 74 CE3 -0.0042 0.0143 0.0022 1047 TRP 74 CZ2 -0.0057 0.0098 0.0043 1048 TRP 74 CZ3 -0.0048 0.0132 0.0038 1049 TRP 74 CH2 -0.0056 0.0109 0.0049 1050 TRP 74 H -0.0014 0.0186 -0.0054 1051 TRP 74 HA -0.0024 0.0161 -0.0032 1052 TRP 74 HB2 -0.0028 0.0177 -0.0004 1053 TRP 74 HB3 -0.0027 0.0163 -0.0020 1054 TRP 74 HD1 -0.0040 0.0119 -0.0005 1055 TRP 74 HE1 -0.0053 0.0089 0.0023 1056 TRP 74 HE3 -0.0037 0.0158 0.0015 1057 TRP 74 HZ2 -0.0062 0.0083 0.0051 1058 TRP 74 HZ3 -0.0047 0.0139 0.0042 1059 TRP 74 HH2 -0.0060 0.0101 0.0059 1060 ALA 75 N 0.0000 0.0200 -0.0045 1061 ALA 75 CA 0.0014 0.0167 -0.0059 1062 ALA 75 C -0.0009 0.0147 -0.0039 1063 ALA 75 O -0.0029 0.0127 -0.0020 1064 ALA 75 CB 0.0026 0.0137 -0.0071 1065 ALA 75 H -0.0011 0.0192 -0.0035 1066 ALA 75 HA 0.0030 0.0176 -0.0074 1067 ALA 75 HB1 0.0034 0.0114 -0.0080 1068 ALA 75 HB2 0.0040 0.0150 -0.0085 1069 ALA 75 HB3 0.0009 0.0127 -0.0056 1070 ASN 76 N -0.0043 0.0011 -0.0144 1071 ASN 76 CA 0.0002 -0.0042 -0.0106 1072 ASN 76 C 0.0025 -0.0068 -0.0087 1073 ASN 76 O 0.0065 -0.0097 -0.0040 1074 ASN 76 CB 0.0009 -0.0101 -0.0143 1075 ASN 76 CG 0.0026 -0.0103 -0.0114 1076 ASN 76 OD1 0.0058 -0.0100 -0.0055 1077 ASN 76 ND2 0.0004 -0.0107 -0.0156 1078 ASN 76 H -0.0061 -0.0001 -0.0185 1079 ASN 76 HA 0.0016 -0.0023 -0.0066 1080 ASN 76 HB2 -0.0018 -0.0097 -0.0188 1081 ASN 76 HB3 0.0030 -0.0144 -0.0140 1082 ASN 76 HD21 -0.0018 -0.0108 -0.0197 1083 ASN 76 HD22 0.0012 -0.0108 -0.0142 1084 ASP 77 N 0.0065 -0.0155 -0.0168 1085 ASP 77 CA 0.0150 0.0022 -0.0082 1086 ASP 77 C 0.0250 0.0193 -0.0002 1087 ASP 77 O 0.0446 0.0276 0.0005 1088 ASP 77 CB -0.0030 0.0082 -0.0007 1089 ASP 77 CG -0.0256 0.0120 0.0064 1090 ASP 77 OD1 -0.0298 0.0095 0.0059 1091 ASP 77 OD2 -0.0403 0.0177 0.0130 1092 ASP 77 H -0.0081 -0.0176 -0.0149 1093 ASP 77 HA 0.0275 -0.0011 -0.0129 1094 ASP 77 HB2 0.0031 0.0204 0.0052 1095 ASP 77 HB3 -0.0061 -0.0026 -0.0064 1096 VAL 78 N -0.0028 -0.0071 -0.0043 1097 VAL 78 CA -0.0091 -0.0146 -0.0017 1098 VAL 78 C -0.0185 -0.0068 0.0071 1099 VAL 78 O -0.0252 -0.0123 0.0104 1100 VAL 78 CB -0.0004 -0.0180 -0.0089 1101 VAL 78 CG1 0.0076 -0.0278 -0.0172 1102 VAL 78 CG2 0.0070 -0.0046 -0.0107 1103 VAL 78 H 0.0034 -0.0015 -0.0073 1104 VAL 78 HA -0.0132 -0.0235 -0.0011 1105 VAL 78 HB -0.0049 -0.0226 -0.0069 1106 VAL 78 HG11 0.0128 -0.0299 -0.0216 1107 VAL 78 HG12 0.0028 -0.0364 -0.0161 1108 VAL 78 HG13 0.0121 -0.0234 -0.0193 1109 VAL 78 HG21 0.0116 -0.0069 -0.0147 1110 VAL 78 HG22 0.0122 -0.0004 -0.0133 1111 VAL 78 HG23 0.0018 0.0019 -0.0052 1112 SER 79 N -0.0071 0.0017 0.0014 1113 SER 79 CA -0.0096 0.0054 0.0057 1114 SER 79 C -0.0096 0.0078 0.0062 1115 SER 79 O -0.0121 0.0072 0.0097 1116 SER 79 CB -0.0130 0.0024 0.0100 1117 SER 79 OG -0.0131 0.0015 0.0099 1118 SER 79 H -0.0058 0.0025 -0.0003 1119 SER 79 HA -0.0089 0.0085 0.0055 1120 SER 79 HB2 -0.0135 -0.0012 0.0099 1121 SER 79 HB3 -0.0147 0.0047 0.0128 1122 SER 79 HG -0.0150 -0.0000 0.0122 1123 ARG 80 N -0.0056 0.0144 0.0055 1124 ARG 80 CA -0.0031 0.0156 0.0045 1125 ARG 80 C 0.0031 0.0237 0.0037 1126 ARG 80 O 0.0073 0.0262 0.0021 1127 ARG 80 CB 0.0003 0.0081 -0.0005 1128 ARG 80 CG -0.0047 -0.0006 -0.0008 1129 ARG 80 CD -0.0121 -0.0016 0.0033 1130 ARG 80 NE -0.0157 -0.0107 0.0021 1131 ARG 80 CZ -0.0229 -0.0136 0.0053 1132 ARG 80 NH1 -0.0275 -0.0083 0.0103 1133 ARG 80 NH2 -0.0254 -0.0220 0.0037 1134 ARG 80 H -0.0017 0.0156 0.0036 1135 ARG 80 HA -0.0076 0.0162 0.0074 1136 ARG 80 HB2 0.0051 0.0080 -0.0035 1137 ARG 80 HB3 0.0015 0.0091 -0.0008 1138 ARG 80 HG2 -0.0064 -0.0016 -0.0002 1139 ARG 80 HG3 -0.0018 -0.0049 -0.0043 1140 ARG 80 HD2 -0.0107 0.0006 0.0033 1141 ARG 80 HD3 -0.0158 0.0014 0.0068 1142 ARG 80 HE -0.0129 -0.0143 -0.0011 1143 ARG 80 HH11 -0.0259 -0.0029 0.0113 1144 ARG 80 HH12 -0.0322 -0.0103 0.0124 1145 ARG 80 HH21 -0.0224 -0.0255 0.0005 1146 ARG 80 HH22 -0.0301 -0.0240 0.0058 1147 PHE 81 N 0.0031 0.0131 -0.0016 1148 PHE 81 CA 0.0021 0.0129 -0.0019 1149 PHE 81 C 0.0011 0.0140 -0.0020 1150 PHE 81 O 0.0014 0.0151 -0.0018 1151 PHE 81 CB 0.0027 0.0130 -0.0017 1152 PHE 81 CG 0.0036 0.0119 -0.0017 1153 PHE 81 CD1 0.0031 0.0107 -0.0020 1154 PHE 81 CD2 0.0048 0.0120 -0.0013 1155 PHE 81 CE1 0.0038 0.0097 -0.0019 1156 PHE 81 CE2 0.0056 0.0110 -0.0012 1157 PHE 81 CZ 0.0051 0.0098 -0.0015 1158 PHE 81 H 0.0037 0.0135 -0.0014 1159 PHE 81 HA 0.0018 0.0121 -0.0021 1160 PHE 81 HB2 0.0032 0.0138 -0.0015 1161 PHE 81 HB3 0.0021 0.0131 -0.0019 1162 PHE 81 HD1 0.0022 0.0106 -0.0022 1163 PHE 81 HD2 0.0052 0.0128 -0.0011 1164 PHE 81 HE1 0.0035 0.0089 -0.0021 1165 PHE 81 HE2 0.0064 0.0110 -0.0010 1166 PHE 81 HZ 0.0056 0.0091 -0.0015 1167 LEU 82 N 0.0047 0.0166 -0.0056 1168 LEU 82 CA 0.0052 0.0161 -0.0049 1169 LEU 82 C 0.0045 0.0166 -0.0055 1170 LEU 82 O 0.0045 0.0174 -0.0067 1171 LEU 82 CB 0.0070 0.0159 -0.0052 1172 LEU 82 CG 0.0080 0.0154 -0.0047 1173 LEU 82 CD1 0.0097 0.0153 -0.0049 1174 LEU 82 CD2 0.0075 0.0145 -0.0033 1175 LEU 82 H 0.0049 0.0171 -0.0064 1176 LEU 82 HA 0.0049 0.0155 -0.0040 1177 LEU 82 HB2 0.0073 0.0165 -0.0061 1178 LEU 82 HB3 0.0073 0.0155 -0.0047 1179 LEU 82 HG 0.0077 0.0158 -0.0053 1180 LEU 82 HD11 0.0103 0.0150 -0.0047 1181 LEU 82 HD12 0.0100 0.0159 -0.0059 1182 LEU 82 HD13 0.0099 0.0149 -0.0044 1183 LEU 82 HD21 0.0082 0.0142 -0.0030 1184 LEU 82 HD22 0.0077 0.0141 -0.0027 1185 LEU 82 HD23 0.0065 0.0146 -0.0032 1186 CYS 83 N -0.0031 0.0104 -0.0049 1187 CYS 83 CA -0.0054 0.0082 -0.0038 1188 CYS 83 C -0.0072 0.0096 -0.0011 1189 CYS 83 O -0.0073 0.0115 0.0002 1190 CYS 83 CB -0.0059 0.0069 -0.0041 1191 CYS 83 SG -0.0089 0.0042 -0.0027 1192 CYS 83 H -0.0027 0.0117 -0.0045 1193 CYS 83 HA -0.0056 0.0067 -0.0045 1194 CYS 83 HB2 -0.0048 0.0059 -0.0058 1195 CYS 83 HB3 -0.0057 0.0083 -0.0034 1196 PRO 84 N -0.0205 0.0127 0.0052 1197 PRO 84 CA -0.0267 0.0203 0.0183 1198 PRO 84 C -0.0212 0.0065 0.0243 1199 PRO 84 O -0.0257 0.0120 0.0337 1200 PRO 84 CB -0.0327 0.0250 0.0375 1201 PRO 84 CG -0.0263 0.0114 0.0385 1202 PRO 84 CD -0.0206 0.0083 0.0164 1203 PRO 84 HA -0.0310 0.0317 0.0114 1204 PRO 84 HB2 -0.0342 0.0232 0.0497 1205 PRO 84 HB3 -0.0387 0.0379 0.0358 1206 PRO 84 HG2 -0.0220 -0.0004 0.0459 1207 PRO 84 HG3 -0.0302 0.0167 0.0456 1208 PRO 84 HD2 -0.0140 -0.0046 0.0152 1209 PRO 84 HD3 -0.0238 0.0169 0.0115 1210 CYS 85 N -0.0172 0.0046 0.0073 1211 CYS 85 CA -0.0131 0.0015 0.0072 1212 CYS 85 C -0.0133 -0.0029 0.0045 1213 CYS 85 O -0.0101 -0.0050 0.0047 1214 CYS 85 CB -0.0121 0.0015 0.0077 1215 CYS 85 SG -0.0095 0.0061 0.0114 1216 CYS 85 H -0.0189 0.0055 0.0071 1217 CYS 85 HA -0.0105 0.0024 0.0088 1218 CYS 85 HB2 -0.0149 0.0017 0.0066 1219 CYS 85 HB3 -0.0100 -0.0011 0.0070 1220 HIS 86 N -0.0111 -0.0087 -0.0072 1221 HIS 86 CA -0.0113 -0.0104 -0.0098 1222 HIS 86 C -0.0143 -0.0115 -0.0099 1223 HIS 86 O -0.0149 -0.0127 -0.0114 1224 HIS 86 CB -0.0094 -0.0102 -0.0105 1225 HIS 86 CG -0.0065 -0.0089 -0.0099 1226 HIS 86 ND1 -0.0057 -0.0072 -0.0077 1227 HIS 86 CD2 -0.0041 -0.0089 -0.0112 1228 HIS 86 CE1 -0.0031 -0.0063 -0.0077 1229 HIS 86 NE2 -0.0021 -0.0073 -0.0098 1230 HIS 86 H -0.0121 -0.0082 -0.0060 1231 HIS 86 HA -0.0106 -0.0109 -0.0109 1232 HIS 86 HB2 -0.0102 -0.0099 -0.0096 1233 HIS 86 HB3 -0.0092 -0.0114 -0.0123 1234 HIS 86 HD2 -0.0040 -0.0099 -0.0128 1235 HIS 86 HE1 -0.0020 -0.0051 -0.0065 1236 HIS 86 HE2 -0.0004 -0.0070 -0.0102 1237 GLU 87 N -0.0099 -0.0079 -0.0027 1238 GLU 87 CA -0.0031 -0.0106 0.0011 1239 GLU 87 C -0.0023 -0.0097 0.0054 1240 GLU 87 O 0.0013 -0.0099 0.0113 1241 GLU 87 CB -0.0010 -0.0102 0.0059 1242 GLU 87 CG -0.0015 -0.0113 0.0018 1243 GLU 87 CD 0.0014 -0.0114 0.0064 1244 GLU 87 OE1 0.0069 -0.0133 0.0103 1245 GLU 87 OE2 -0.0019 -0.0097 0.0063 1246 GLU 87 H -0.0102 -0.0093 -0.0074 1247 GLU 87 HA -0.0002 -0.0134 -0.0025 1248 GLU 87 HB2 -0.0039 -0.0075 0.0096 1249 GLU 87 HB3 0.0035 -0.0121 0.0081 1250 GLU 87 HG2 0.0010 -0.0139 -0.0023 1251 GLU 87 HG3 -0.0061 -0.0092 0.0000 1252 GLY 88 N 0.0059 0.0004 -0.0052 1253 GLY 88 CA 0.0071 -0.0000 -0.0074 1254 GLY 88 C 0.0098 0.0011 -0.0092 1255 GLY 88 O 0.0103 0.0011 -0.0099 1256 GLY 88 H 0.0046 -0.0008 -0.0055 1257 GLY 88 HA2 0.0072 0.0006 -0.0065 1258 GLY 88 HA3 0.0061 -0.0017 -0.0086 1259 VAL 89 N 0.0154 0.0041 -0.0048 1260 VAL 89 CA 0.0141 0.0058 -0.0053 1261 VAL 89 C 0.0080 0.0064 -0.0052 1262 VAL 89 O 0.0052 0.0029 -0.0037 1263 VAL 89 CB 0.0160 0.0021 -0.0040 1264 VAL 89 CG1 0.0147 0.0041 -0.0047 1265 VAL 89 CG2 0.0220 0.0010 -0.0039 1266 VAL 89 H 0.0134 0.0018 -0.0038 1267 VAL 89 HA 0.0157 0.0090 -0.0066 1268 VAL 89 HB 0.0142 -0.0010 -0.0027 1269 VAL 89 HG11 0.0164 0.0019 -0.0040 1270 VAL 89 HG12 0.0108 0.0041 -0.0045 1271 VAL 89 HG13 0.0159 0.0075 -0.0061 1272 VAL 89 HG21 0.0231 -0.0014 -0.0031 1273 VAL 89 HG22 0.0239 0.0041 -0.0052 1274 VAL 89 HG23 0.0227 -0.0005 -0.0034 1275 PHE 90 N 0.0060 0.0095 -0.0016 1276 PHE 90 CA 0.0041 0.0097 -0.0022 1277 PHE 90 C 0.0040 0.0107 -0.0027 1278 PHE 90 O 0.0054 0.0118 -0.0030 1279 PHE 90 CB 0.0031 0.0107 -0.0029 1280 PHE 90 CG 0.0034 0.0100 -0.0025 1281 PHE 90 CD1 0.0050 0.0106 -0.0024 1282 PHE 90 CD2 0.0020 0.0089 -0.0022 1283 PHE 90 CE1 0.0053 0.0099 -0.0020 1284 PHE 90 CE2 0.0023 0.0083 -0.0017 1285 PHE 90 CZ 0.0039 0.0088 -0.0017 1286 PHE 90 H 0.0068 0.0104 -0.0020 1287 PHE 90 HA 0.0033 0.0086 -0.0017 1288 PHE 90 HB2 0.0036 0.0119 -0.0035 1289 PHE 90 HB3 0.0017 0.0106 -0.0032 1290 PHE 90 HD1 0.0059 0.0114 -0.0027 1291 PHE 90 HD2 0.0009 0.0085 -0.0022 1292 PHE 90 HE1 0.0064 0.0103 -0.0020 1293 PHE 90 HE2 0.0014 0.0075 -0.0015 1294 PHE 90 HZ 0.0041 0.0083 -0.0014 1295 ASP 91 N -0.0026 0.0094 0.0051 1296 ASP 91 CA -0.0047 0.0075 0.0076 1297 ASP 91 C -0.0047 0.0097 0.0102 1298 ASP 91 O -0.0031 0.0127 0.0102 1299 ASP 91 CB -0.0064 0.0056 0.0090 1300 ASP 91 CG -0.0063 0.0078 0.0116 1301 ASP 91 OD1 -0.0054 0.0107 0.0130 1302 ASP 91 OD2 -0.0073 0.0065 0.0123 1303 ASP 91 H -0.0024 0.0100 0.0053 1304 ASP 91 HA -0.0051 0.0058 0.0065 1305 ASP 91 HB2 -0.0077 0.0040 0.0102 1306 ASP 91 HB3 -0.0061 0.0045 0.0072 1307 VAL 92 N -0.0025 0.0066 0.0121 1308 VAL 92 CA -0.0024 0.0057 0.0107 1309 VAL 92 C -0.0029 0.0064 0.0113 1310 VAL 92 O -0.0031 0.0059 0.0102 1311 VAL 92 CB -0.0005 0.0042 0.0105 1312 VAL 92 CG1 0.0009 0.0042 0.0121 1313 VAL 92 CG2 -0.0005 0.0031 0.0087 1314 VAL 92 H -0.0015 0.0062 0.0127 1315 VAL 92 HA -0.0032 0.0056 0.0095 1316 VAL 92 HB -0.0003 0.0039 0.0103 1317 VAL 92 HG11 0.0020 0.0033 0.0121 1318 VAL 92 HG12 0.0007 0.0050 0.0133 1319 VAL 92 HG13 0.0007 0.0043 0.0122 1320 VAL 92 HG21 0.0007 0.0021 0.0085 1321 VAL 92 HG22 -0.0008 0.0034 0.0088 1322 VAL 92 HG23 -0.0014 0.0031 0.0076 1323 ASN 93 N 0.0025 -0.0023 0.0127 1324 ASN 93 CA 0.0008 0.0031 0.0170 1325 ASN 93 C -0.0045 0.0102 0.0147 1326 ASN 93 O -0.0061 0.0154 0.0186 1327 ASN 93 CB 0.0038 0.0037 0.0255 1328 ASN 93 CG 0.0089 -0.0027 0.0284 1329 ASN 93 OD1 0.0100 -0.0060 0.0261 1330 ASN 93 ND2 0.0122 -0.0048 0.0334 1331 ASN 93 H 0.0034 -0.0025 0.0147 1332 ASN 93 HA 0.0012 0.0017 0.0160 1333 ASN 93 HB2 0.0036 0.0046 0.0265 1334 ASN 93 HB3 0.0025 0.0076 0.0283 1335 ASN 93 HD21 0.0113 -0.0024 0.0348 1336 ASN 93 HD22 0.0152 -0.0084 0.0352 1337 GLY 94 N 0.0016 0.0072 0.0046 1338 GLY 94 CA 0.0020 0.0080 0.0041 1339 GLY 94 C 0.0022 0.0085 0.0033 1340 GLY 94 O 0.0026 0.0092 0.0028 1341 GLY 94 H 0.0011 0.0068 0.0044 1342 GLY 94 HA2 0.0018 0.0078 0.0037 1343 GLY 94 HA3 0.0025 0.0083 0.0046 1344 LYS 95 N 0.0080 0.0041 0.0102 1345 LYS 95 CA 0.0093 0.0062 0.0057 1346 LYS 95 C 0.0067 0.0068 0.0028 1347 LYS 95 O 0.0025 0.0057 0.0031 1348 LYS 95 CB 0.0082 0.0066 0.0039 1349 LYS 95 CG 0.0097 0.0088 -0.0007 1350 LYS 95 CD 0.0072 0.0091 -0.0030 1351 LYS 95 CE 0.0082 0.0113 -0.0078 1352 LYS 95 NZ 0.0108 0.0125 -0.0096 1353 LYS 95 H 0.0061 0.0034 0.0110 1354 LYS 95 HA 0.0126 0.0069 0.0056 1355 LYS 95 HB2 0.0098 0.0062 0.0059 1356 LYS 95 HB3 0.0049 0.0059 0.0038 1357 LYS 95 HG2 0.0089 0.0093 -0.0025 1358 LYS 95 HG3 0.0130 0.0094 -0.0006 1359 LYS 95 HD2 0.0083 0.0088 -0.0014 1360 LYS 95 HD3 0.0039 0.0084 -0.0028 1361 LYS 95 HE2 0.0101 0.0118 -0.0082 1362 LYS 95 HE3 0.0053 0.0114 -0.0096 1363 LYS 95 HZ1 0.0092 0.0121 -0.0093 1364 LYS 95 HZ2 0.0113 0.0138 -0.0124 1365 LYS 95 HZ3 0.0136 0.0125 -0.0080 1366 THR 96 N -0.0031 0.0001 0.0008 1367 THR 96 CA -0.0006 -0.0011 0.0016 1368 THR 96 C 0.0002 -0.0031 0.0029 1369 THR 96 O -0.0016 -0.0046 0.0038 1370 THR 96 CB -0.0012 -0.0023 0.0024 1371 THR 96 OG1 -0.0026 -0.0008 0.0014 1372 THR 96 CG2 0.0017 -0.0030 0.0029 1373 THR 96 H -0.0046 -0.0002 0.0009 1374 THR 96 HA 0.0009 0.0000 0.0009 1375 THR 96 HB -0.0023 -0.0038 0.0033 1376 THR 96 HG1 -0.0030 -0.0014 0.0018 1377 THR 96 HG21 0.0015 -0.0031 0.0030 1378 THR 96 HG22 0.0023 -0.0045 0.0039 1379 THR 96 HG23 0.0031 -0.0018 0.0022 1380 ILE 97 N 0.0039 -0.0028 -0.0050 1381 ILE 97 CA 0.0026 -0.0062 -0.0064 1382 ILE 97 C 0.0077 -0.0093 -0.0059 1383 ILE 97 O 0.0070 -0.0131 -0.0072 1384 ILE 97 CB -0.0010 -0.0028 -0.0063 1385 ILE 97 CG1 0.0022 0.0020 -0.0040 1386 ILE 97 CG2 -0.0065 -0.0003 -0.0070 1387 ILE 97 CD1 -0.0010 0.0053 -0.0039 1388 ILE 97 H 0.0062 -0.0002 -0.0036 1389 ILE 97 HA 0.0002 -0.0091 -0.0079 1390 ILE 97 HB -0.0018 -0.0053 -0.0073 1391 ILE 97 HG12 0.0030 0.0046 -0.0030 1392 ILE 97 HG13 0.0058 0.0003 -0.0035 1393 ILE 97 HG21 -0.0090 0.0014 -0.0073 1394 ILE 97 HG22 -0.0083 -0.0033 -0.0084 1395 ILE 97 HG23 -0.0055 0.0026 -0.0059 1396 ILE 97 HD11 0.0015 0.0079 -0.0024 1397 ILE 97 HD12 -0.0023 0.0027 -0.0050 1398 ILE 97 HD13 -0.0043 0.0075 -0.0041 1399 SER 98 N 0.0082 -0.0169 0.0142 1400 SER 98 C 0.0144 -0.0187 0.0163 1401 SER 98 O 0.0098 -0.0096 0.0058 1402 SER 98 CA 0.0169 -0.0232 0.0215 1403 SER 98 CB 0.0345 -0.0242 0.0229 1404 SER 98 OG 0.0431 -0.0149 0.0125 1405 SER 98 H 0.0055 -0.0109 0.0072 1406 SER 98 HA 0.0125 -0.0303 0.0294 1407 SER 98 HB2 0.0389 -0.0298 0.0293 1408 SER 98 HB3 0.0354 -0.0259 0.0249 1409 SER 98 HG 0.0430 -0.0135 0.0109 1410 SER 98 CA 0.0176 -0.0228 0.0211 1411 SER 98 CB 0.0353 -0.0219 0.0203 1412 SER 98 OG 0.0441 -0.0295 0.0291 1413 SER 98 H 0.0050 -0.0110 0.0074 1414 SER 98 HA 0.0145 -0.0302 0.0294 1415 SER 98 HB2 0.0367 -0.0230 0.0216 1416 SER 98 HB3 0.0391 -0.0150 0.0125 1417 SER 98 HG 0.0412 -0.0297 0.0293 1418 GLY 99 N 0.0195 -0.0147 0.0086 1419 GLY 99 CA 0.0176 -0.0118 0.0054 1420 GLY 99 C 0.0120 -0.0094 0.0073 1421 GLY 99 O 0.0093 -0.0100 0.0115 1422 GLY 99 H 0.0205 -0.0167 0.0112 1423 GLY 99 HA2 0.0195 -0.0129 0.0052 1424 GLY 99 HA3 0.0181 -0.0102 0.0018 1425 PRO 100 N 0.0094 -0.0055 -0.0007 1426 PRO 100 CA 0.0066 -0.0038 0.0005 1427 PRO 100 C 0.0054 -0.0033 -0.0003 1428 PRO 100 O 0.0029 -0.0019 0.0005 1429 PRO 100 CB 0.0046 -0.0032 -0.0012 1430 PRO 100 CG 0.0057 -0.0045 -0.0043 1431 PRO 100 CD 0.0090 -0.0060 -0.0035 1432 PRO 100 HA 0.0068 -0.0033 0.0028 1433 PRO 100 HB2 0.0026 -0.0022 -0.0015 1434 PRO 100 HB3 0.0048 -0.0029 0.0000 1435 PRO 100 HG2 0.0050 -0.0045 -0.0057 1436 PRO 100 HG3 0.0052 -0.0045 -0.0051 1437 PRO 100 HD2 0.0099 -0.0069 -0.0053 1438 PRO 100 HD3 0.0099 -0.0063 -0.0030 1439 ALA 101 N 0.0028 -0.0055 -0.0011 1440 ALA 101 CA 0.0006 -0.0039 -0.0017 1441 ALA 101 C -0.0019 -0.0050 -0.0005 1442 ALA 101 O -0.0021 -0.0065 0.0005 1443 ALA 101 CB 0.0005 -0.0023 -0.0028 1444 ALA 101 H 0.0037 -0.0054 -0.0014 1445 ALA 101 HA 0.0007 -0.0031 -0.0023 1446 ALA 101 HB1 -0.0010 -0.0012 -0.0032 1447 ALA 101 HB2 0.0020 -0.0015 -0.0036 1448 ALA 101 HB3 0.0004 -0.0030 -0.0023 1449 PRO 102 N -0.0013 -0.0107 -0.0142 1450 PRO 102 CA -0.0012 -0.0121 -0.0168 1451 PRO 102 C -0.0073 -0.0106 -0.0100 1452 PRO 102 O -0.0076 -0.0115 -0.0116 1453 PRO 102 CB 0.0097 -0.0086 -0.0174 1454 PRO 102 CG 0.0127 -0.0036 -0.0100 1455 PRO 102 CD 0.0077 -0.0058 -0.0108 1456 PRO 102 HA -0.0032 -0.0159 -0.0227 1457 PRO 102 HB2 0.0104 -0.0077 -0.0161 1458 PRO 102 HB3 0.0133 -0.0106 -0.0233 1459 PRO 102 HG2 0.0106 -0.0012 -0.0041 1460 PRO 102 HG3 0.0197 -0.0017 -0.0110 1461 PRO 102 HD2 0.0063 -0.0031 -0.0049 1462 PRO 102 HD3 0.0117 -0.0067 -0.0151 1463 ARG 103 N -0.0054 -0.0015 0.0065 1464 ARG 103 CA -0.0071 -0.0016 0.0109 1465 ARG 103 C -0.0056 -0.0047 0.0089 1466 ARG 103 O -0.0035 -0.0060 0.0041 1467 ARG 103 CB -0.0090 0.0044 0.0123 1468 ARG 103 CG -0.0081 0.0084 0.0073 1469 ARG 103 CD -0.0098 0.0131 0.0089 1470 ARG 103 NE -0.0099 0.0107 0.0107 1471 ARG 103 CZ -0.0116 0.0132 0.0137 1472 ARG 103 NH1 -0.0134 0.0185 0.0152 1473 ARG 103 NH2 -0.0115 0.0106 0.0151 1474 ARG 103 H -0.0041 -0.0022 0.0034 1475 ARG 103 HA -0.0078 -0.0037 0.0142 1476 ARG 103 HB2 -0.0099 0.0042 0.0147 1477 ARG 103 HB3 -0.0101 0.0060 0.0141 1478 ARG 103 HG2 -0.0079 0.0102 0.0058 1479 ARG 103 HG3 -0.0066 0.0063 0.0046 1480 ARG 103 HD2 -0.0114 0.0150 0.0119 1481 ARG 103 HD3 -0.0093 0.0158 0.0058 1482 ARG 103 HE -0.0087 0.0073 0.0097 1483 ARG 103 HH11 -0.0135 0.0203 0.0143 1484 ARG 103 HH12 -0.0145 0.0201 0.0172 1485 ARG 103 HH21 -0.0103 0.0073 0.0140 1486 ARG 103 HH22 -0.0126 0.0122 0.0171 1487 GLY 104 N -0.0029 -0.0011 0.0046 1488 GLY 104 CA -0.0014 0.0011 0.0034 1489 GLY 104 C -0.0014 0.0033 0.0018 1490 GLY 104 O -0.0025 0.0031 0.0017 1491 GLY 104 H -0.0046 -0.0015 0.0044 1492 GLY 104 HA2 0.0006 0.0009 0.0041 1493 GLY 104 HA3 -0.0022 0.0015 0.0029 1494 MET 105 N 0.0025 0.0038 0.0012 1495 MET 105 CA 0.0021 0.0033 0.0001 1496 MET 105 C 0.0015 0.0028 -0.0008 1497 MET 105 O 0.0018 0.0029 -0.0008 1498 MET 105 CB 0.0033 0.0034 -0.0007 1499 MET 105 CG 0.0036 0.0037 0.0001 1500 MET 105 SD 0.0052 0.0040 -0.0005 1501 MET 105 CE 0.0049 0.0034 -0.0021 1502 MET 105 H 0.0034 0.0040 0.0012 1503 MET 105 HA 0.0015 0.0032 0.0003 1504 MET 105 HB2 0.0040 0.0035 -0.0008 1505 MET 105 HB3 0.0030 0.0030 -0.0015 1506 MET 105 HG2 0.0030 0.0035 -0.0000 1507 MET 105 HG3 0.0037 0.0040 0.0009 1508 MET 105 HE1 0.0057 0.0035 -0.0025 1509 MET 105 HE2 0.0048 0.0032 -0.0025 1510 MET 105 HE3 0.0042 0.0032 -0.0021 1511 TYR 106 N 0.0032 -0.0006 0.0012 1512 TYR 106 CA 0.0023 -0.0000 0.0011 1513 TYR 106 C 0.0035 -0.0011 0.0006 1514 TYR 106 O 0.0042 -0.0021 -0.0009 1515 TYR 106 CB 0.0007 0.0006 -0.0005 1516 TYR 106 CG -0.0005 0.0016 -0.0002 1517 TYR 106 CD1 -0.0015 0.0028 0.0013 1518 TYR 106 CD2 -0.0008 0.0014 -0.0014 1519 TYR 106 CE1 -0.0026 0.0038 0.0016 1520 TYR 106 CE2 -0.0020 0.0024 -0.0011 1521 TYR 106 CZ -0.0029 0.0035 0.0004 1522 TYR 106 OH -0.0041 0.0045 0.0006 1523 TYR 106 H 0.0028 -0.0007 0.0002 1524 TYR 106 HA 0.0020 0.0006 0.0023 1525 TYR 106 HB2 0.0010 -0.0001 -0.0018 1526 TYR 106 HB3 0.0001 0.0010 -0.0006 1527 TYR 106 HD1 -0.0013 0.0030 0.0021 1528 TYR 106 HD2 -0.0002 0.0006 -0.0024 1529 TYR 106 HE1 -0.0032 0.0045 0.0026 1530 TYR 106 HE2 -0.0022 0.0022 -0.0019 1531 TYR 106 HH -0.0040 0.0048 0.0018 1532 SER 107 N 0.0011 -0.0007 -0.0033 1533 SER 107 CA 0.0006 -0.0002 -0.0033 1534 SER 107 C 0.0003 0.0002 -0.0033 1535 SER 107 O 0.0001 -0.0001 -0.0034 1536 SER 107 CB 0.0001 -0.0006 -0.0034 1537 SER 107 OG -0.0003 -0.0009 -0.0035 1538 SER 107 H 0.0009 -0.0010 -0.0033 1539 SER 107 HA 0.0008 0.0001 -0.0033 1540 SER 107 HB2 -0.0002 -0.0002 -0.0035 1541 SER 107 HB3 0.0003 -0.0008 -0.0034 1542 SER 107 HG -0.0005 -0.0007 -0.0035 1543 SER 107 N 0.0011 -0.0007 -0.0033 1544 SER 107 CA 0.0006 -0.0003 -0.0033 1545 SER 107 C 0.0004 0.0002 -0.0033 1546 SER 107 O 0.0003 -0.0000 -0.0034 1547 SER 107 CB -0.0000 -0.0006 -0.0034 1548 SER 107 OG -0.0005 -0.0002 -0.0035 1549 SER 107 H 0.0009 -0.0010 -0.0033 1550 SER 107 HA 0.0007 0.0000 -0.0033 1551 SER 107 HB2 0.0001 -0.0009 -0.0034 1552 SER 107 HB3 -0.0002 -0.0009 -0.0035 1553 SER 107 HG -0.0006 0.0000 -0.0035 1554 TYR 108 N -0.0008 -0.0023 -0.0010 1555 TYR 108 CA -0.0015 -0.0020 -0.0019 1556 TYR 108 C -0.0020 -0.0018 -0.0026 1557 TYR 108 O -0.0015 -0.0013 -0.0028 1558 TYR 108 CB -0.0009 -0.0013 -0.0023 1559 TYR 108 CG -0.0006 -0.0015 -0.0018 1560 TYR 108 CD1 0.0001 -0.0017 -0.0010 1561 TYR 108 CD2 -0.0010 -0.0014 -0.0023 1562 TYR 108 CE1 0.0004 -0.0019 -0.0005 1563 TYR 108 CE2 -0.0008 -0.0016 -0.0019 1564 TYR 108 CZ -0.0000 -0.0018 -0.0010 1565 TYR 108 OH 0.0002 -0.0020 -0.0006 1566 TYR 108 H -0.0003 -0.0019 -0.0011 1567 TYR 108 HA -0.0020 -0.0025 -0.0017 1568 TYR 108 HB2 -0.0003 -0.0009 -0.0023 1569 TYR 108 HB3 -0.0013 -0.0011 -0.0030 1570 TYR 108 HD1 0.0004 -0.0018 -0.0006 1571 TYR 108 HD2 -0.0015 -0.0012 -0.0029 1572 TYR 108 HE1 0.0009 -0.0021 0.0001 1573 TYR 108 HE2 -0.0011 -0.0015 -0.0022 1574 TYR 108 HH 0.0003 -0.0016 -0.0010 1575 ARG 109 N -0.0077 0.0173 -0.0013 1576 ARG 109 CA -0.0015 0.0141 0.0021 1577 ARG 109 C -0.0034 0.0063 0.0038 1578 ARG 109 O -0.0069 0.0031 0.0033 1579 ARG 109 CB 0.0035 0.0159 0.0036 1580 ARG 109 CG 0.0099 0.0127 0.0071 1581 ARG 109 CD 0.0146 0.0150 0.0083 1582 ARG 109 NE 0.0211 0.0124 0.0117 1583 ARG 109 CZ 0.0244 0.0096 0.0139 1584 ARG 109 NH1 0.0219 0.0089 0.0131 1585 ARG 109 NH2 0.0304 0.0074 0.0170 1586 ARG 109 H -0.0076 0.0195 -0.0019 1587 ARG 109 HA 0.0006 0.0159 0.0025 1588 ARG 109 HB2 0.0046 0.0209 0.0025 1589 ARG 109 HB3 0.0014 0.0143 0.0033 1590 ARG 109 HG2 0.0090 0.0077 0.0083 1591 ARG 109 HG3 0.0121 0.0142 0.0076 1592 ARG 109 HD2 0.0153 0.0201 0.0071 1593 ARG 109 HD3 0.0126 0.0132 0.0081 1594 ARG 109 HE 0.0229 0.0127 0.0124 1595 ARG 109 HH11 0.0181 0.0103 0.0111 1596 ARG 109 HH12 0.0241 0.0071 0.0146 1597 ARG 109 HH21 0.0320 0.0078 0.0175 1598 ARG 109 HH22 0.0326 0.0055 0.0184 1599 THR 110 N -0.0025 0.0067 0.0039 1600 THR 110 CA -0.0029 0.0056 0.0043 1601 THR 110 C -0.0032 0.0052 0.0065 1602 THR 110 O -0.0033 0.0050 0.0074 1603 THR 110 CB -0.0036 0.0038 0.0032 1604 THR 110 OG1 -0.0034 0.0042 0.0012 1605 THR 110 CG2 -0.0041 0.0027 0.0034 1606 THR 110 H -0.0026 0.0064 0.0044 1607 THR 110 HA -0.0027 0.0062 0.0040 1608 THR 110 HB -0.0039 0.0032 0.0037 1609 THR 110 HG1 -0.0038 0.0032 0.0005 1610 THR 110 HG21 -0.0045 0.0017 0.0025 1611 THR 110 HG22 -0.0043 0.0022 0.0047 1612 THR 110 HG23 -0.0038 0.0034 0.0032 1613 THR 110 N -0.0025 0.0067 0.0039 1614 THR 110 CA -0.0029 0.0056 0.0043 1615 THR 110 C -0.0032 0.0052 0.0065 1616 THR 110 O -0.0033 0.0051 0.0074 1617 THR 110 CB -0.0037 0.0038 0.0032 1618 THR 110 OG1 -0.0040 0.0029 0.0038 1619 THR 110 CG2 -0.0035 0.0041 0.0010 1620 THR 110 H -0.0026 0.0064 0.0044 1621 THR 110 HA -0.0027 0.0062 0.0040 1622 THR 110 HB -0.0040 0.0031 0.0035 1623 THR 110 HG1 -0.0044 0.0020 0.0031 1624 THR 110 HG21 -0.0037 0.0034 0.0005 1625 THR 110 HG22 -0.0036 0.0037 0.0004 1626 THR 110 HG23 -0.0029 0.0054 0.0008 1627 LYS 111 N -0.0011 0.0110 0.0060 1628 LYS 111 CA 0.0023 0.0098 0.0044 1629 LYS 111 C -0.0007 0.0081 0.0071 1630 LYS 111 O -0.0047 0.0066 0.0103 1631 LYS 111 CB 0.0070 0.0054 0.0034 1632 LYS 111 CG 0.0060 -0.0003 0.0066 1633 LYS 111 CD 0.0109 -0.0045 0.0054 1634 LYS 111 CE 0.0099 -0.0102 0.0086 1635 LYS 111 NZ 0.0146 -0.0146 0.0075 1636 LYS 111 H -0.0031 0.0089 0.0083 1637 LYS 111 HA 0.0034 0.0131 0.0022 1638 LYS 111 HB2 0.0092 0.0052 0.0020 1639 LYS 111 HB3 0.0086 0.0062 0.0020 1640 LYS 111 HG2 0.0038 -0.0003 0.0080 1641 LYS 111 HG3 0.0044 -0.0013 0.0081 1642 LYS 111 HD2 0.0130 -0.0047 0.0041 1643 LYS 111 HD3 0.0126 -0.0035 0.0038 1644 LYS 111 HE2 0.0080 -0.0102 0.0098 1645 LYS 111 HE3 0.0080 -0.0112 0.0102 1646 LYS 111 HZ1 0.0169 -0.0133 0.0054 1647 LYS 111 HZ2 0.0140 -0.0175 0.0092 1648 LYS 111 HZ3 0.0159 -0.0156 0.0072 1649 VAL 112 N 0.0025 0.0152 0.0076 1650 VAL 112 CA 0.0022 0.0150 0.0080 1651 VAL 112 C 0.0025 0.0149 0.0085 1652 VAL 112 O 0.0027 0.0150 0.0086 1653 VAL 112 CB 0.0018 0.0147 0.0079 1654 VAL 112 CG1 0.0015 0.0145 0.0083 1655 VAL 112 CG2 0.0015 0.0148 0.0074 1656 VAL 112 H 0.0026 0.0152 0.0076 1657 VAL 112 HA 0.0022 0.0149 0.0080 1658 VAL 112 HB 0.0018 0.0148 0.0080 1659 VAL 112 HG11 0.0012 0.0144 0.0083 1660 VAL 112 HG12 0.0017 0.0145 0.0087 1661 VAL 112 HG13 0.0014 0.0145 0.0083 1662 VAL 112 HG21 0.0012 0.0147 0.0074 1663 VAL 112 HG22 0.0015 0.0148 0.0074 1664 VAL 112 HG23 0.0017 0.0150 0.0072 1665 GLU 113 N 0.0013 0.0187 0.0087 1666 GLU 113 CA 0.0045 0.0119 0.0036 1667 GLU 113 C 0.0033 0.0113 0.0055 1668 GLU 113 O -0.0009 0.0094 0.0121 1669 GLU 113 CB 0.0038 0.0025 0.0046 1670 GLU 113 CG 0.0066 -0.0048 0.0000 1671 GLU 113 CD 0.0058 -0.0143 0.0012 1672 GLU 113 OE1 0.0063 -0.0154 0.0004 1673 GLU 113 OE2 0.0047 -0.0206 0.0029 1674 GLU 113 H -0.0017 0.0180 0.0135 1675 GLU 113 HA 0.0078 0.0138 -0.0017 1676 GLU 113 HB2 0.0049 0.0027 0.0028 1677 GLU 113 HB3 0.0004 0.0008 0.0100 1678 GLU 113 HG2 0.0056 -0.0048 0.0016 1679 GLU 113 HG3 0.0101 -0.0035 -0.0054 1680 ASN 114 N 0.0059 0.0143 0.0112 1681 ASN 114 CA 0.0140 0.0101 -0.0027 1682 ASN 114 C 0.0204 0.0103 -0.0016 1683 ASN 114 O 0.0190 0.0072 -0.0122 1684 ASN 114 CB 0.0036 0.0062 -0.0165 1685 ASN 114 CG -0.0020 0.0059 -0.0178 1686 ASN 114 OD1 0.0061 0.0072 -0.0129 1687 ASN 114 ND2 -0.0158 0.0042 -0.0246 1688 ASN 114 H 0.0091 0.0154 0.0149 1689 ASN 114 HA 0.0232 0.0095 -0.0040 1690 ASN 114 HB2 -0.0056 0.0066 -0.0159 1691 ASN 114 HB3 0.0096 0.0034 -0.0256 1692 ASN 114 HD21 -0.0196 0.0039 -0.0257 1693 ASN 114 HD22 -0.0211 0.0033 -0.0280 1694 ASN 115 N 0.0133 0.0115 0.0082 1695 ASN 115 CA 0.0104 0.0127 0.0085 1696 ASN 115 C -0.0021 0.0147 0.0080 1697 ASN 115 O -0.0056 0.0148 0.0076 1698 ASN 115 CB 0.0148 0.0040 0.0037 1699 ASN 115 CG 0.0166 0.0066 0.0056 1700 ASN 115 OD1 0.0201 0.0144 0.0109 1701 ASN 115 ND2 0.0140 0.0002 0.0013 1702 ASN 115 H 0.0165 0.0164 0.0116 1703 ASN 115 HA 0.0140 0.0183 0.0125 1704 ASN 115 HB2 0.0220 0.0014 0.0031 1705 ASN 115 HB3 0.0094 -0.0009 -0.0001 1706 ASN 115 HD21 0.0114 -0.0051 -0.0024 1707 ASN 115 HD22 0.0148 0.0013 0.0021 1708 ASN 115 N 0.0133 0.0115 0.0082 1709 ASN 115 CA 0.0104 0.0128 0.0086 1710 ASN 115 C -0.0021 0.0149 0.0081 1711 ASN 115 O -0.0055 0.0152 0.0078 1712 ASN 115 CB 0.0149 0.0043 0.0039 1713 ASN 115 CG 0.0276 0.0033 0.0051 1714 ASN 115 OD1 0.0331 0.0104 0.0103 1715 ASN 115 ND2 0.0323 -0.0056 0.0003 1716 ASN 115 H 0.0166 0.0163 0.0116 1717 ASN 115 HA 0.0141 0.0185 0.0126 1718 ASN 115 HB2 0.0124 -0.0017 -0.0001 1719 ASN 115 HB3 0.0120 0.0052 0.0041 1720 ASN 115 HD21 0.0281 -0.0104 -0.0033 1721 ASN 115 HD22 0.0395 -0.0065 0.0007 1722 THR 116 N -0.0002 0.0134 0.0056 1723 THR 116 CA -0.0027 0.0136 0.0062 1724 THR 116 C -0.0034 0.0154 0.0082 1725 THR 116 O -0.0029 0.0158 0.0086 1726 THR 116 CB -0.0046 0.0122 0.0050 1727 THR 116 OG1 -0.0041 0.0106 0.0032 1728 THR 116 CG2 -0.0072 0.0125 0.0057 1729 THR 116 H -0.0002 0.0131 0.0053 1730 THR 116 HA -0.0028 0.0136 0.0062 1731 THR 116 HB -0.0045 0.0121 0.0048 1732 THR 116 HG1 -0.0051 0.0097 0.0025 1733 THR 116 HG21 -0.0084 0.0114 0.0048 1734 THR 116 HG22 -0.0078 0.0134 0.0067 1735 THR 116 HG23 -0.0074 0.0129 0.0062 1736 VAL 117 N -0.0048 0.0128 0.0026 1737 VAL 117 CA -0.0047 0.0114 0.0028 1738 VAL 117 C -0.0043 0.0111 0.0029 1739 VAL 117 O -0.0034 0.0116 0.0031 1740 VAL 117 CB -0.0036 0.0108 0.0032 1741 VAL 117 CG1 -0.0035 0.0094 0.0034 1742 VAL 117 CG2 -0.0039 0.0112 0.0030 1743 VAL 117 H -0.0041 0.0132 0.0028 1744 VAL 117 HA -0.0055 0.0109 0.0027 1745 VAL 117 HB -0.0028 0.0113 0.0033 1746 VAL 117 HG11 -0.0029 0.0091 0.0035 1747 VAL 117 HG12 -0.0031 0.0092 0.0035 1748 VAL 117 HG13 -0.0043 0.0090 0.0032 1749 VAL 117 HG21 -0.0033 0.0108 0.0033 1750 VAL 117 HG22 -0.0048 0.0108 0.0029 1751 VAL 117 HG23 -0.0039 0.0121 0.0030 1752 PHE 118 N -0.0087 0.0051 0.0074 1753 PHE 118 CA -0.0087 0.0034 0.0078 1754 PHE 118 C -0.0090 0.0056 0.0075 1755 PHE 118 O -0.0076 0.0077 0.0061 1756 PHE 118 CB -0.0062 0.0013 0.0067 1757 PHE 118 CG -0.0060 -0.0014 0.0072 1758 PHE 118 CD1 -0.0070 -0.0040 0.0085 1759 PHE 118 CD2 -0.0048 -0.0014 0.0063 1760 PHE 118 CE1 -0.0068 -0.0064 0.0089 1761 PHE 118 CE2 -0.0046 -0.0038 0.0068 1762 PHE 118 CZ -0.0056 -0.0063 0.0081 1763 PHE 118 H -0.0074 0.0061 0.0063 1764 PHE 118 HA -0.0102 0.0023 0.0091 1765 PHE 118 HB2 -0.0048 0.0023 0.0055 1766 PHE 118 HB3 -0.0062 0.0005 0.0068 1767 PHE 118 HD1 -0.0079 -0.0040 0.0091 1768 PHE 118 HD2 -0.0041 0.0003 0.0055 1769 PHE 118 HE1 -0.0075 -0.0081 0.0098 1770 PHE 118 HE2 -0.0038 -0.0038 0.0062 1771 PHE 118 HZ -0.0055 -0.0080 0.0084 1772 VAL 119 N -0.0098 -0.0011 0.0010 1773 VAL 119 CA -0.0102 -0.0008 0.0019 1774 VAL 119 C -0.0112 -0.0011 0.0019 1775 VAL 119 O -0.0117 -0.0014 0.0013 1776 VAL 119 CB -0.0102 -0.0006 0.0025 1777 VAL 119 CG1 -0.0093 -0.0003 0.0026 1778 VAL 119 CG2 -0.0108 -0.0009 0.0021 1779 VAL 119 H -0.0101 -0.0013 0.0007 1780 VAL 119 HA -0.0098 -0.0006 0.0022 1781 VAL 119 HB -0.0105 -0.0004 0.0031 1782 VAL 119 HG11 -0.0093 -0.0002 0.0029 1783 VAL 119 HG12 -0.0089 -0.0001 0.0029 1784 VAL 119 HG13 -0.0089 -0.0005 0.0020 1785 VAL 119 HG21 -0.0107 -0.0007 0.0024 1786 VAL 119 HG22 -0.0105 -0.0011 0.0015 1787 VAL 119 HG23 -0.0114 -0.0010 0.0021 1788 ASP 120 N -0.0089 0.0003 0.0018 1789 ASP 120 CA -0.0084 0.0017 0.0019 1790 ASP 120 C -0.0115 0.0047 0.0009 1791 ASP 120 O -0.0111 0.0082 0.0010 1792 ASP 120 CB -0.0045 0.0035 0.0030 1793 ASP 120 CG -0.0040 0.0054 0.0031 1794 ASP 120 OD1 -0.0066 0.0050 0.0023 1795 ASP 120 OD2 -0.0010 0.0072 0.0039 1796 ASP 120 H -0.0079 0.0018 0.0020 1797 ASP 120 HA -0.0087 -0.0005 0.0019 1798 ASP 120 HB2 -0.0026 0.0015 0.0036 1799 ASP 120 HB3 -0.0041 0.0055 0.0030 1800 TYR 121 N -0.0082 -0.0045 -0.0080 1801 TYR 121 CA -0.0100 -0.0018 -0.0123 1802 TYR 121 C -0.0065 0.0027 -0.0135 1803 TYR 121 O -0.0077 0.0053 -0.0171 1804 TYR 121 CB -0.0127 -0.0035 -0.0131 1805 TYR 121 CG -0.0102 -0.0033 -0.0110 1806 TYR 121 CD1 -0.0093 -0.0065 -0.0071 1807 TYR 121 CD2 -0.0087 0.0000 -0.0130 1808 TYR 121 CE1 -0.0070 -0.0063 -0.0051 1809 TYR 121 CE2 -0.0064 0.0003 -0.0110 1810 TYR 121 CZ -0.0056 -0.0029 -0.0071 1811 TYR 121 OH -0.0033 -0.0026 -0.0053 1812 TYR 121 H -0.0083 -0.0063 -0.0063 1813 TYR 121 HA -0.0118 -0.0019 -0.0140 1814 TYR 121 HB2 -0.0141 -0.0019 -0.0161 1815 TYR 121 HB3 -0.0147 -0.0064 -0.0122 1816 TYR 121 HD1 -0.0103 -0.0088 -0.0057 1817 TYR 121 HD2 -0.0093 0.0022 -0.0156 1818 TYR 121 HE1 -0.0065 -0.0085 -0.0024 1819 TYR 121 HE2 -0.0054 0.0026 -0.0124 1820 TYR 121 HH -0.0025 -0.0003 -0.0068 1821 ALA 122 N -0.0160 0.0064 -0.0023 1822 ALA 122 CA -0.0157 0.0123 -0.0009 1823 ALA 122 C -0.0101 0.0194 0.0017 1824 ALA 122 O -0.0090 0.0248 0.0031 1825 ALA 122 CB -0.0131 0.0080 -0.0014 1826 ALA 122 H -0.0121 0.0026 -0.0023 1827 ALA 122 HA -0.0212 0.0147 -0.0015 1828 ALA 122 HB1 -0.0138 0.0118 -0.0007 1829 ALA 122 HB2 -0.0165 0.0033 -0.0031 1830 ALA 122 HB3 -0.0073 0.0061 -0.0006 1831 ALA 123 N -0.0100 0.0242 0.0026 1832 ALA 123 CA -0.0070 0.0255 0.0082 1833 ALA 123 C -0.0068 0.0227 0.0068 1834 ALA 123 O -0.0037 0.0177 0.0088 1835 ALA 123 CB -0.0027 0.0222 0.0131 1836 ALA 123 H -0.0098 0.0202 0.0006 1837 ALA 123 HA -0.0080 0.0303 0.0095 1838 ALA 123 HB1 -0.0012 0.0249 0.0170 1839 ALA 123 HB2 -0.0030 0.0220 0.0124 1840 ALA 123 HB3 -0.0012 0.0177 0.0128 1841 ILE 124 N -0.0026 0.0061 0.0007 1842 ILE 124 CA -0.0023 0.0048 -0.0000 1843 ILE 124 C -0.0023 0.0055 0.0013 1844 ILE 124 O -0.0028 0.0074 0.0017 1845 ILE 124 CB -0.0028 0.0048 -0.0025 1846 ILE 124 CG1 -0.0027 0.0040 -0.0038 1847 ILE 124 CG2 -0.0025 0.0035 -0.0032 1848 ILE 124 CD1 -0.0034 0.0047 -0.0062 1849 ILE 124 H -0.0031 0.0073 0.0000 1850 ILE 124 HA -0.0017 0.0033 0.0003 1851 ILE 124 HB -0.0033 0.0063 -0.0029 1852 ILE 124 HG12 -0.0022 0.0024 -0.0039 1853 ILE 124 HG13 -0.0027 0.0045 -0.0030 1854 ILE 124 HG21 -0.0027 0.0033 -0.0048 1855 ILE 124 HG22 -0.0026 0.0043 -0.0027 1856 ILE 124 HG23 -0.0019 0.0022 -0.0025 1857 ILE 124 HD11 -0.0033 0.0041 -0.0069 1858 ILE 124 HD12 -0.0039 0.0063 -0.0061 1859 ILE 124 HD13 -0.0034 0.0042 -0.0070 1860 THR 125 N 0.0025 -0.0042 -0.0019 1861 THR 125 CA 0.0017 -0.0068 -0.0094 1862 THR 125 C 0.0013 -0.0059 -0.0084 1863 THR 125 O -0.0014 -0.0009 -0.0041 1864 THR 125 CB -0.0041 -0.0030 -0.0156 1865 THR 125 OG1 -0.0036 -0.0046 -0.0177 1866 THR 125 CG2 -0.0056 -0.0049 -0.0231 1867 THR 125 OXT 0.0038 -0.0104 -0.0120 1868 THR 125 H -0.0005 -0.0000 -0.0002 1869 THR 125 HA 0.0049 -0.0114 -0.0114 1870 THR 125 HB -0.0072 0.0016 -0.0133 1871 THR 125 HG1 -0.0015 -0.0052 -0.0137 1872 THR 125 HG21 -0.0082 -0.0039 -0.0277 1873 THR 125 HG22 -0.0074 -0.0023 -0.0223 1874 THR 125 HG23 -0.0020 -0.0095 -0.0244