1 ALA 8 N 0.0055 -0.0184 -0.0296 2 ALA 8 CA 0.0266 -0.0121 -0.0136 3 ALA 8 C 0.0377 0.0061 0.0111 4 ALA 8 O 0.0511 0.0152 0.0267 5 ALA 8 CB 0.0531 -0.0328 -0.0245 6 ALA 8 HA 0.0164 -0.0059 -0.0113 7 ALA 8 HB1 0.0672 -0.0281 -0.0133 8 ALA 8 HB2 0.0455 -0.0427 -0.0386 9 ALA 8 HB3 0.0623 -0.0398 -0.0281 10 ASP 9 N 0.0022 0.0046 -0.0081 11 ASP 9 CA 0.0014 0.0037 -0.0076 12 ASP 9 C -0.0007 0.0016 -0.0080 13 ASP 9 O -0.0016 0.0012 -0.0102 14 ASP 9 CB 0.0021 0.0048 -0.0092 15 ASP 9 CG 0.0017 0.0041 -0.0082 16 ASP 9 OD1 0.0016 0.0034 -0.0058 17 ASP 9 OD2 0.0014 0.0042 -0.0097 18 ASP 9 H 0.0015 0.0042 -0.0091 19 ASP 9 HA 0.0019 0.0037 -0.0058 20 ASP 9 HB2 0.0034 0.0061 -0.0091 21 ASP 9 HB3 0.0014 0.0046 -0.0110 22 PHE 10 N 0.0019 0.0041 -0.0032 23 PHE 10 CA 0.0015 0.0012 -0.0035 24 PHE 10 C 0.0000 -0.0012 -0.0053 25 PHE 10 O 0.0001 -0.0018 -0.0051 26 PHE 10 CB 0.0035 -0.0006 -0.0008 27 PHE 10 CG 0.0048 0.0008 0.0008 28 PHE 10 CD1 0.0043 0.0002 0.0002 29 PHE 10 CD2 0.0065 0.0026 0.0030 30 PHE 10 CE1 0.0055 0.0013 0.0017 31 PHE 10 CE2 0.0078 0.0037 0.0045 32 PHE 10 CZ 0.0072 0.0031 0.0038 33 PHE 10 H 0.0030 0.0040 -0.0019 34 PHE 10 HA 0.0010 0.0018 -0.0042 35 PHE 10 HB2 0.0042 -0.0003 0.0002 36 PHE 10 HB3 0.0031 -0.0028 -0.0011 37 PHE 10 HD1 0.0031 -0.0011 -0.0012 38 PHE 10 HD2 0.0069 0.0030 0.0034 39 PHE 10 HE1 0.0051 0.0009 0.0012 40 PHE 10 HE2 0.0089 0.0050 0.0059 41 PHE 10 HZ 0.0080 0.0039 0.0048 42 ILE 11 N -0.0145 0.0109 -0.0056 43 ILE 11 CA -0.0142 0.0099 -0.0084 44 ILE 11 C -0.0132 0.0068 -0.0081 45 ILE 11 O -0.0127 0.0053 -0.0072 46 ILE 11 CB -0.0144 0.0105 -0.0109 47 ILE 11 CG1 -0.0154 0.0137 -0.0112 48 ILE 11 CG2 -0.0140 0.0092 -0.0137 49 ILE 11 CD1 -0.0159 0.0152 -0.0120 50 ILE 11 H -0.0142 0.0102 -0.0051 51 ILE 11 HA -0.0145 0.0108 -0.0088 52 ILE 11 HB -0.0141 0.0097 -0.0104 53 ILE 11 HG12 -0.0156 0.0144 -0.0093 54 ILE 11 HG13 -0.0155 0.0140 -0.0127 55 ILE 11 HG21 -0.0143 0.0101 -0.0153 56 ILE 11 HG22 -0.0133 0.0073 -0.0137 57 ILE 11 HG23 -0.0141 0.0096 -0.0139 58 ILE 11 HD11 -0.0166 0.0172 -0.0122 59 ILE 11 HD12 -0.0157 0.0145 -0.0139 60 ILE 11 HD13 -0.0158 0.0150 -0.0105 61 GLY 12 N -0.0082 -0.0003 -0.0089 62 GLY 12 CA -0.0059 -0.0022 -0.0091 63 GLY 12 C -0.0052 -0.0030 -0.0104 64 GLY 12 O -0.0063 -0.0024 -0.0124 65 GLY 12 H -0.0089 0.0002 -0.0101 66 GLY 12 HA2 -0.0052 -0.0025 -0.0074 67 GLY 12 HA3 -0.0056 -0.0027 -0.0103 68 ILE 13 N -0.0051 -0.0024 -0.0073 69 ILE 13 CA -0.0038 -0.0039 -0.0093 70 ILE 13 C -0.0009 -0.0073 -0.0102 71 ILE 13 O 0.0005 -0.0089 -0.0115 72 ILE 13 CB -0.0041 -0.0035 -0.0068 73 ILE 13 CG1 -0.0028 -0.0049 -0.0026 74 ILE 13 CG2 -0.0070 -0.0002 -0.0066 75 ILE 13 CD1 -0.0024 -0.0052 -0.0005 76 ILE 13 H -0.0042 -0.0033 -0.0052 77 ILE 13 HA -0.0047 -0.0030 -0.0119 78 ILE 13 HB -0.0031 -0.0046 -0.0081 79 ILE 13 HG12 -0.0039 -0.0035 -0.0009 80 ILE 13 HG13 -0.0010 -0.0069 -0.0028 81 ILE 13 HG21 -0.0071 0.0000 -0.0053 82 ILE 13 HG22 -0.0077 0.0005 -0.0094 83 ILE 13 HG23 -0.0079 0.0010 -0.0052 84 ILE 13 HD11 -0.0015 -0.0062 0.0021 85 ILE 13 HD12 -0.0014 -0.0063 -0.0022 86 ILE 13 HD13 -0.0042 -0.0031 -0.0000 87 GLY 14 N 0.0012 -0.0147 -0.0037 88 GLY 14 CA 0.0021 -0.0143 -0.0040 89 GLY 14 C 0.0019 -0.0143 -0.0042 90 GLY 14 O 0.0012 -0.0145 -0.0040 91 GLY 14 H 0.0007 -0.0146 -0.0039 92 GLY 14 HA2 0.0022 -0.0140 -0.0045 93 GLY 14 HA3 0.0026 -0.0145 -0.0036 94 LYS 15 N 0.0064 -0.0146 0.0048 95 LYS 15 CA 0.0023 -0.0100 -0.0038 96 LYS 15 C 0.0039 -0.0111 -0.0008 97 LYS 15 O 0.0104 -0.0106 0.0074 98 LYS 15 CB 0.0052 0.0023 -0.0082 99 LYS 15 CG 0.0029 0.0049 -0.0130 100 LYS 15 CD 0.0066 0.0174 -0.0167 101 LYS 15 CE 0.0049 0.0236 -0.0231 102 LYS 15 NZ 0.0086 0.0357 -0.0266 103 LYS 15 H 0.0110 -0.0098 0.0077 104 LYS 15 HA -0.0035 -0.0139 -0.0087 105 LYS 15 HB2 0.0111 0.0059 -0.0030 106 LYS 15 HB3 0.0030 0.0054 -0.0133 107 LYS 15 HG2 -0.0029 0.0019 -0.0187 108 LYS 15 HG3 0.0049 0.0017 -0.0082 109 LYS 15 HD2 0.0043 0.0188 -0.0206 110 LYS 15 HD3 0.0124 0.0203 -0.0110 111 LYS 15 HE2 0.0072 0.0223 -0.0193 112 LYS 15 HE3 -0.0009 0.0209 -0.0290 113 LYS 15 HZ1 0.0139 0.0383 -0.0214 114 LYS 15 HZ2 0.0079 0.0391 -0.0299 115 LYS 15 HZ3 0.0063 0.0371 -0.0305 116 LEU 16 N -0.0059 -0.0049 -0.0007 117 LEU 16 CA -0.0051 -0.0038 0.0003 118 LEU 16 C -0.0038 -0.0023 0.0009 119 LEU 16 O -0.0035 -0.0015 0.0025 120 LEU 16 CB -0.0045 -0.0036 -0.0011 121 LEU 16 CG -0.0036 -0.0024 -0.0003 122 LEU 16 CD1 -0.0045 -0.0029 0.0013 123 LEU 16 CD2 -0.0029 -0.0022 -0.0020 124 LEU 16 H -0.0060 -0.0053 -0.0019 125 LEU 16 HA -0.0057 -0.0041 0.0015 126 LEU 16 HB2 -0.0054 -0.0045 -0.0014 127 LEU 16 HB3 -0.0040 -0.0034 -0.0023 128 LEU 16 HG -0.0029 -0.0015 0.0003 129 LEU 16 HD11 -0.0038 -0.0021 0.0018 130 LEU 16 HD12 -0.0049 -0.0030 0.0024 131 LEU 16 HD13 -0.0052 -0.0038 0.0008 132 LEU 16 HD21 -0.0022 -0.0014 -0.0015 133 LEU 16 HD22 -0.0036 -0.0031 -0.0024 134 LEU 16 HD23 -0.0023 -0.0020 -0.0031 135 ASP 17 N -0.0015 -0.0022 -0.0037 136 ASP 17 CA 0.0015 -0.0023 -0.0038 137 ASP 17 C 0.0018 -0.0023 -0.0041 138 ASP 17 O 0.0042 -0.0023 -0.0040 139 ASP 17 CB 0.0031 -0.0022 -0.0062 140 ASP 17 CG 0.0015 -0.0020 -0.0088 141 ASP 17 OD1 -0.0009 -0.0020 -0.0088 142 ASP 17 OD2 0.0026 -0.0019 -0.0111 143 ASP 17 H -0.0022 -0.0021 -0.0052 144 ASP 17 HA 0.0024 -0.0024 -0.0021 145 ASP 17 HB2 0.0048 -0.0022 -0.0066 146 ASP 17 HB3 0.0037 -0.0022 -0.0054 147 ASP 18 N 0.0009 0.0019 -0.0038 148 ASP 18 CA 0.0040 0.0015 -0.0022 149 ASP 18 C 0.0044 -0.0012 -0.0042 150 ASP 18 O 0.0065 -0.0015 -0.0031 151 ASP 18 CB 0.0076 0.0006 -0.0007 152 ASP 18 CG 0.0078 0.0033 0.0017 153 ASP 18 OD1 0.0058 0.0062 0.0028 154 ASP 18 OD2 0.0102 0.0024 0.0025 155 ASP 18 H 0.0015 0.0013 -0.0039 156 ASP 18 HA 0.0035 0.0037 -0.0007 157 ASP 18 HB2 0.0079 -0.0014 -0.0021 158 ASP 18 HB3 0.0096 0.0002 0.0003 159 PHE 19 N -0.0013 -0.0018 -0.0005 160 PHE 19 CA -0.0016 -0.0009 -0.0011 161 PHE 19 C -0.0021 0.0006 -0.0019 162 PHE 19 O -0.0017 0.0008 -0.0029 163 PHE 19 CB -0.0004 -0.0015 -0.0022 164 PHE 19 CG 0.0002 -0.0029 -0.0014 165 PHE 19 CD1 -0.0002 -0.0030 -0.0007 166 PHE 19 CD2 0.0011 -0.0041 -0.0013 167 PHE 19 CE1 0.0002 -0.0043 0.0001 168 PHE 19 CE2 0.0015 -0.0054 -0.0005 169 PHE 19 CZ 0.0011 -0.0055 0.0002 170 PHE 19 H -0.0008 -0.0019 -0.0011 171 PHE 19 HA -0.0021 -0.0009 -0.0004 172 PHE 19 HB2 0.0002 -0.0016 -0.0028 173 PHE 19 HB3 -0.0005 -0.0008 -0.0027 174 PHE 19 HD1 -0.0009 -0.0022 -0.0007 175 PHE 19 HD2 0.0013 -0.0040 -0.0017 176 PHE 19 HE1 -0.0001 -0.0043 0.0006 177 PHE 19 HE2 0.0022 -0.0062 -0.0005 178 PHE 19 HZ 0.0014 -0.0063 0.0007 179 PRO 20 N -0.0041 -0.0017 -0.0109 180 PRO 20 CA -0.0033 -0.0049 -0.0093 181 PRO 20 C -0.0025 -0.0027 -0.0069 182 PRO 20 O -0.0030 0.0008 -0.0079 183 PRO 20 CB -0.0047 -0.0072 -0.0131 184 PRO 20 CG -0.0060 -0.0063 -0.0163 185 PRO 20 CD -0.0058 -0.0018 -0.0153 186 PRO 20 HA -0.0025 -0.0069 -0.0077 187 PRO 20 HB2 -0.0050 -0.0061 -0.0138 188 PRO 20 HB3 -0.0043 -0.0103 -0.0127 189 PRO 20 HG2 -0.0070 -0.0063 -0.0189 190 PRO 20 HG3 -0.0059 -0.0084 -0.0163 191 PRO 20 HD2 -0.0064 0.0004 -0.0164 192 PRO 20 HD3 -0.0063 -0.0014 -0.0164 193 VAL 21 N 0.0029 0.0061 -0.0095 194 VAL 21 CA 0.0026 0.0059 -0.0073 195 VAL 21 C 0.0031 0.0053 -0.0073 196 VAL 21 O 0.0043 0.0040 -0.0080 197 VAL 21 CB 0.0032 0.0048 -0.0060 198 VAL 21 CG1 0.0032 0.0043 -0.0039 199 VAL 21 CG2 0.0025 0.0057 -0.0058 200 VAL 21 H 0.0034 0.0056 -0.0097 201 VAL 21 HA 0.0017 0.0070 -0.0068 202 VAL 21 HB 0.0041 0.0038 -0.0066 203 VAL 21 HG11 0.0033 0.0039 -0.0029 204 VAL 21 HG12 0.0039 0.0034 -0.0040 205 VAL 21 HG13 0.0023 0.0053 -0.0034 206 VAL 21 HG21 0.0029 0.0050 -0.0049 207 VAL 21 HG22 0.0016 0.0067 -0.0052 208 VAL 21 HG23 0.0026 0.0059 -0.0071 209 GLY 22 N 0.0014 0.0010 -0.0026 210 GLY 22 CA 0.0011 0.0016 -0.0024 211 GLY 22 C -0.0002 0.0019 -0.0049 212 GLY 22 O -0.0005 0.0023 -0.0048 213 GLY 22 H 0.0009 0.0022 -0.0021 214 GLY 22 HA2 0.0007 0.0031 -0.0011 215 GLY 22 HA3 0.0023 0.0004 -0.0018 216 ILE 23 N -0.0003 -0.0055 -0.0001 217 ILE 23 CA -0.0036 -0.0053 -0.0078 218 ILE 23 C -0.0071 0.0013 -0.0102 219 ILE 23 O -0.0073 0.0012 -0.0108 220 ILE 23 CB -0.0028 -0.0125 -0.0124 221 ILE 23 CG1 0.0007 -0.0189 -0.0097 222 ILE 23 CG2 -0.0063 -0.0121 -0.0204 223 ILE 23 CD1 0.0013 -0.0260 -0.0147 224 ILE 23 H 0.0002 -0.0059 0.0008 225 ILE 23 HA -0.0041 -0.0046 -0.0083 226 ILE 23 HB -0.0023 -0.0133 -0.0119 227 ILE 23 HG12 0.0004 -0.0176 -0.0092 228 ILE 23 HG13 0.0030 -0.0197 -0.0051 229 ILE 23 HG21 -0.0058 -0.0167 -0.0232 230 ILE 23 HG22 -0.0084 -0.0081 -0.0219 231 ILE 23 HG23 -0.0070 -0.0111 -0.0212 232 ILE 23 HD11 0.0038 -0.0300 -0.0122 233 ILE 23 HD12 0.0010 -0.0269 -0.0161 234 ILE 23 HD13 -0.0006 -0.0257 -0.0190 235 PRO 24 N -0.0079 -0.0016 -0.0010 236 PRO 24 CA -0.0087 -0.0002 -0.0015 237 PRO 24 C -0.0091 -0.0005 -0.0031 238 PRO 24 O -0.0090 -0.0014 -0.0042 239 PRO 24 CB -0.0091 0.0008 -0.0016 240 PRO 24 CG -0.0086 0.0002 -0.0005 241 PRO 24 CD -0.0079 -0.0015 -0.0007 242 PRO 24 HA -0.0087 0.0003 -0.0008 243 PRO 24 HB2 -0.0094 0.0006 -0.0026 244 PRO 24 HB3 -0.0095 0.0018 -0.0013 245 PRO 24 HG2 -0.0087 0.0004 -0.0007 246 PRO 24 HG3 -0.0084 0.0006 0.0006 247 PRO 24 HD2 -0.0079 -0.0019 -0.0015 248 PRO 24 HD3 -0.0074 -0.0019 0.0003 249 LYS 25 N -0.0023 -0.0033 -0.0078 250 LYS 25 CA -0.0025 -0.0028 -0.0105 251 LYS 25 C -0.0032 0.0007 -0.0113 252 LYS 25 O -0.0036 0.0027 -0.0091 253 LYS 25 CB -0.0022 -0.0038 -0.0097 254 LYS 25 CG -0.0015 -0.0074 -0.0095 255 LYS 25 CD -0.0013 -0.0090 -0.0128 256 LYS 25 CE -0.0005 -0.0126 -0.0125 257 LYS 25 NZ -0.0002 -0.0146 -0.0144 258 LYS 25 H -0.0025 -0.0021 -0.0062 259 LYS 25 HA -0.0023 -0.0040 -0.0124 260 LYS 25 HB2 -0.0023 -0.0029 -0.0076 261 LYS 25 HB3 -0.0025 -0.0030 -0.0114 262 LYS 25 HG2 -0.0012 -0.0083 -0.0079 263 LYS 25 HG3 -0.0014 -0.0078 -0.0089 264 LYS 25 HD2 -0.0014 -0.0087 -0.0142 265 LYS 25 HD3 -0.0015 -0.0080 -0.0138 266 LYS 25 HE2 -0.0004 -0.0131 -0.0134 267 LYS 25 HE3 -0.0003 -0.0132 -0.0103 268 LYS 25 HZ1 0.0003 -0.0166 -0.0142 269 LYS 25 HZ2 -0.0002 -0.0142 -0.0136 270 LYS 25 HZ3 -0.0003 -0.0141 -0.0165 271 LYS 26 N 0.0103 -0.0039 -0.0068 272 LYS 26 CA 0.0098 -0.0079 -0.0055 273 LYS 26 C 0.0096 -0.0092 -0.0061 274 LYS 26 O 0.0099 -0.0072 -0.0048 275 LYS 26 CB 0.0099 -0.0079 -0.0012 276 LYS 26 CG 0.0094 -0.0117 0.0007 277 LYS 26 CD 0.0096 -0.0113 0.0042 278 LYS 26 CE 0.0101 -0.0079 0.0069 279 LYS 26 NZ 0.0101 -0.0089 0.0110 280 LYS 26 H 0.0106 -0.0023 -0.0051 281 LYS 26 HA 0.0095 -0.0097 -0.0069 282 LYS 26 HB2 0.0101 -0.0065 -0.0010 283 LYS 26 HB3 0.0101 -0.0066 0.0003 284 LYS 26 HG2 0.0093 -0.0127 0.0016 285 LYS 26 HG3 0.0091 -0.0134 -0.0012 286 LYS 26 HD2 0.0093 -0.0136 0.0058 287 LYS 26 HD3 0.0096 -0.0110 0.0033 288 LYS 26 HE2 0.0104 -0.0057 0.0061 289 LYS 26 HE3 0.0102 -0.0072 0.0068 290 LYS 26 HZ1 0.0099 -0.0106 0.0110 291 LYS 26 HZ2 0.0104 -0.0069 0.0123 292 LYS 26 HZ3 0.0100 -0.0100 0.0122 293 VAL 27 N 0.0107 -0.0114 -0.0091 294 VAL 27 CA 0.0101 -0.0073 -0.0103 295 VAL 27 C 0.0094 -0.0056 -0.0105 296 VAL 27 O 0.0083 -0.0074 -0.0093 297 VAL 27 CB 0.0070 -0.0058 -0.0092 298 VAL 27 CG1 0.0077 -0.0073 -0.0090 299 VAL 27 CG2 0.0036 -0.0069 -0.0069 300 VAL 27 H 0.0092 -0.0123 -0.0080 301 VAL 27 HA 0.0122 -0.0065 -0.0117 302 VAL 27 HB 0.0067 -0.0031 -0.0100 303 VAL 27 HG11 0.0059 -0.0062 -0.0084 304 VAL 27 HG12 0.0100 -0.0067 -0.0104 305 VAL 27 HG13 0.0078 -0.0100 -0.0081 306 VAL 27 HG21 0.0018 -0.0063 -0.0062 307 VAL 27 HG22 0.0040 -0.0096 -0.0062 308 VAL 27 HG23 0.0029 -0.0055 -0.0071 309 ALA 28 N 0.0186 -0.0006 -0.0221 310 ALA 28 CA 0.0193 0.0053 -0.0228 311 ALA 28 C 0.0005 0.0089 -0.0184 312 ALA 28 O -0.0117 0.0143 -0.0158 313 ALA 28 CB 0.0292 0.0231 -0.0272 314 ALA 28 H 0.0216 0.0077 -0.0237 315 ALA 28 HA 0.0252 -0.0042 -0.0234 316 ALA 28 HB1 0.0296 0.0270 -0.0277 317 ALA 28 HB2 0.0413 0.0211 -0.0301 318 ALA 28 HB3 0.0230 0.0323 -0.0266 319 VAL 29 N 0.0025 0.0019 -0.0162 320 VAL 29 CA -0.0035 0.0037 -0.0152 321 VAL 29 C -0.0056 0.0072 -0.0178 322 VAL 29 O -0.0052 0.0063 -0.0170 323 VAL 29 CB -0.0066 0.0003 -0.0103 324 VAL 29 CG1 -0.0129 0.0023 -0.0095 325 VAL 29 CG2 -0.0042 -0.0035 -0.0077 326 VAL 29 H 0.0033 0.0009 -0.0155 327 VAL 29 HA -0.0042 0.0048 -0.0160 328 VAL 29 HB -0.0062 -0.0008 -0.0095 329 VAL 29 HG11 -0.0147 0.0001 -0.0064 330 VAL 29 HG12 -0.0145 0.0044 -0.0108 331 VAL 29 HG13 -0.0132 0.0038 -0.0108 332 VAL 29 HG21 -0.0064 -0.0055 -0.0047 333 VAL 29 HG22 -0.0042 -0.0025 -0.0087 334 VAL 29 HG23 -0.0004 -0.0049 -0.0080 335 THR 30 N -0.0064 0.0144 -0.0161 336 THR 30 CA 0.0081 0.0218 -0.0085 337 THR 30 C -0.0178 0.0199 -0.0227 338 THR 30 O -0.0382 0.0435 -0.0356 339 THR 30 CB 0.0254 0.0593 -0.0014 340 THR 30 OG1 0.0038 0.0864 -0.0153 341 THR 30 CG2 0.0540 0.0593 0.0144 342 THR 30 H -0.0225 0.0277 -0.0259 343 THR 30 HA 0.0233 0.0033 0.0012 344 THR 30 HB 0.0331 0.0652 0.0024 345 THR 30 HG1 -0.0106 0.0893 -0.0234 346 THR 30 HG21 0.0665 0.0819 0.0198 347 THR 30 HG22 0.0676 0.0391 0.0233 348 THR 30 HG23 0.0465 0.0568 0.0104 349 SER 31 N -0.0206 0.0101 -0.0089 350 SER 31 CA -0.0173 0.0090 -0.0082 351 SER 31 C -0.0157 0.0083 -0.0037 352 SER 31 O -0.0156 0.0082 -0.0020 353 SER 31 CB -0.0138 0.0080 -0.0113 354 SER 31 OG -0.0104 0.0069 -0.0104 355 SER 31 H -0.0200 0.0099 -0.0102 356 SER 31 HA -0.0182 0.0093 -0.0086 357 SER 31 HB2 -0.0147 0.0084 -0.0141 358 SER 31 HB3 -0.0130 0.0078 -0.0111 359 SER 31 HG -0.0086 0.0064 -0.0122 360 SER 32 N -0.0145 0.0142 -0.0017 361 SER 32 CA -0.0081 0.0118 0.0121 362 SER 32 C 0.0097 0.0258 0.0051 363 SER 32 O 0.0130 0.0251 0.0111 364 SER 32 CB -0.0015 0.0047 0.0368 365 SER 32 OG 0.0135 0.0124 0.0396 366 SER 32 H -0.0108 0.0135 0.0048 367 SER 32 HA -0.0200 0.0052 0.0107 368 SER 32 HB2 0.0048 0.0045 0.0455 369 SER 32 HB3 -0.0138 -0.0051 0.0419 370 SER 32 HG 0.0162 0.0080 0.0531 371 LYS 33 N -0.0119 -0.0110 0.0166 372 LYS 33 CA -0.0016 -0.0087 0.0149 373 LYS 33 C -0.0085 -0.0071 0.0121 374 LYS 33 O -0.0194 -0.0038 0.0066 375 LYS 33 CB 0.0075 -0.0008 0.0058 376 LYS 33 CG 0.0175 -0.0026 0.0093 377 LYS 33 CD 0.0227 0.0055 -0.0004 378 LYS 33 CE 0.0345 0.0039 0.0031 379 LYS 33 NZ 0.0356 0.0099 -0.0045 380 LYS 33 H -0.0127 -0.0070 0.0115 381 LYS 33 HA 0.0042 -0.0133 0.0214 382 LYS 33 HB2 0.0016 0.0035 -0.0002 383 LYS 33 HB3 0.0129 0.0015 0.0036 384 LYS 33 HG2 0.0253 -0.0050 0.0134 385 LYS 33 HG3 0.0128 -0.0065 0.0137 386 LYS 33 HD2 0.0153 0.0075 -0.0038 387 LYS 33 HD3 0.0261 0.0099 -0.0056 388 LYS 33 HE2 0.0431 0.0045 0.0032 389 LYS 33 HE3 0.0330 -0.0019 0.0103 390 LYS 33 HZ1 0.0424 0.0086 -0.0021 391 LYS 33 HZ2 0.0278 0.0094 -0.0048 392 LYS 33 HZ3 0.0372 0.0152 -0.0111 393 MET 34 N -0.0134 0.0129 0.0050 394 MET 34 CA -0.0014 0.0142 0.0005 395 MET 34 C 0.0058 0.0122 -0.0037 396 MET 34 O 0.0162 0.0148 -0.0069 397 MET 34 CB 0.0028 0.0258 0.0043 398 MET 34 CG -0.0023 0.0280 0.0076 399 MET 34 SD 0.0056 0.0241 0.0023 400 MET 34 CE 0.0001 0.0096 -0.0024 401 MET 34 H -0.0151 0.0174 0.0080 402 MET 34 HA -0.0004 0.0089 -0.0026 403 MET 34 HB2 0.0008 0.0312 0.0078 404 MET 34 HB3 0.0109 0.0269 0.0013 405 MET 34 HG2 -0.0099 0.0238 0.0089 406 MET 34 HG3 -0.0024 0.0358 0.0115 407 MET 34 HE1 0.0015 0.0071 -0.0043 408 MET 34 HE2 0.0039 0.0057 -0.0060 409 MET 34 HE3 -0.0079 0.0084 0.0005 410 ASP 35 N -0.0025 -0.0008 -0.0056 411 ASP 35 CA -0.0036 -0.0010 -0.0045 412 ASP 35 C -0.0013 -0.0038 -0.0038 413 ASP 35 O 0.0007 -0.0059 -0.0034 414 ASP 35 CB -0.0069 -0.0012 -0.0020 415 ASP 35 CG -0.0068 -0.0038 0.0003 416 ASP 35 OD1 -0.0065 -0.0038 0.0001 417 ASP 35 OD2 -0.0068 -0.0060 0.0023 418 ASP 35 H -0.0035 -0.0013 -0.0044 419 ASP 35 HA -0.0038 0.0007 -0.0059 420 ASP 35 HB2 -0.0076 -0.0012 -0.0013 421 ASP 35 HB3 -0.0083 0.0006 -0.0025 422 ALA 36 N -0.0072 -0.0125 -0.0090 423 ALA 36 CA -0.0017 -0.0161 -0.0039 424 ALA 36 C -0.0058 -0.0166 -0.0084 425 ALA 36 O -0.0032 -0.0125 -0.0047 426 ALA 36 CB 0.0029 -0.0275 -0.0013 427 ALA 36 H -0.0069 -0.0171 -0.0096 428 ALA 36 HA 0.0018 -0.0107 0.0011 429 ALA 36 HB1 0.0065 -0.0299 0.0021 430 ALA 36 HB2 0.0058 -0.0268 0.0020 431 ALA 36 HB3 -0.0006 -0.0329 -0.0062 432 TRP 37 N -0.0045 -0.0047 -0.0024 433 TRP 37 CA -0.0020 -0.0037 0.0003 434 TRP 37 C 0.0003 -0.0096 0.0006 435 TRP 37 O 0.0001 -0.0102 0.0003 436 TRP 37 CB 0.0018 -0.0003 0.0050 437 TRP 37 CG 0.0046 0.0010 0.0080 438 TRP 37 CD1 0.0036 0.0059 0.0087 439 TRP 37 CD2 0.0087 -0.0028 0.0107 440 TRP 37 NE1 0.0068 0.0056 0.0116 441 TRP 37 CE2 0.0099 0.0003 0.0129 442 TRP 37 CE3 0.0114 -0.0084 0.0115 443 TRP 37 CZ2 0.0138 -0.0021 0.0158 444 TRP 37 CZ3 0.0152 -0.0108 0.0144 445 TRP 37 CH2 0.0164 -0.0076 0.0165 446 TRP 37 H -0.0036 -0.0033 -0.0011 447 TRP 37 HA -0.0042 -0.0013 -0.0009 448 TRP 37 HB2 0.0004 0.0035 0.0049 449 TRP 37 HB3 0.0039 -0.0027 0.0063 450 TRP 37 HD1 0.0011 0.0091 0.0074 451 TRP 37 HE1 0.0068 0.0082 0.0125 452 TRP 37 HE3 0.0106 -0.0105 0.0101 453 TRP 37 HZ2 0.0146 -0.0000 0.0172 454 TRP 37 HZ3 0.0171 -0.0145 0.0150 455 TRP 37 HH2 0.0190 -0.0093 0.0185 456 ASN 38 N 0.0020 -0.0075 -0.0031 457 ASN 38 CA 0.0018 -0.0086 -0.0028 458 ASN 38 C 0.0016 -0.0092 -0.0037 459 ASN 38 O 0.0014 -0.0100 -0.0038 460 ASN 38 CB 0.0019 -0.0087 -0.0020 461 ASN 38 CG 0.0021 -0.0087 -0.0010 462 ASN 38 OD1 0.0020 -0.0094 -0.0007 463 ASN 38 ND2 0.0023 -0.0079 -0.0004 464 ASN 38 H 0.0021 -0.0071 -0.0028 465 ASN 38 HA 0.0018 -0.0088 -0.0026 466 ASN 38 HB2 0.0021 -0.0081 -0.0020 467 ASN 38 HB3 0.0018 -0.0093 -0.0020 468 ASN 38 HD21 0.0024 -0.0079 0.0002 469 ASN 38 HD22 0.0024 -0.0075 -0.0006 470 ILE 39 N -0.0041 -0.0138 -0.0094 471 ILE 39 CA -0.0038 -0.0165 -0.0146 472 ILE 39 C -0.0041 -0.0212 -0.0214 473 ILE 39 O -0.0067 -0.0268 -0.0240 474 ILE 39 CB 0.0008 -0.0108 -0.0169 475 ILE 39 CG1 0.0010 -0.0064 -0.0101 476 ILE 39 CG2 0.0011 -0.0140 -0.0228 477 ILE 39 CD1 0.0059 0.0001 -0.0119 478 ILE 39 H -0.0016 -0.0095 -0.0086 479 ILE 39 HA -0.0064 -0.0191 -0.0120 480 ILE 39 HB 0.0036 -0.0079 -0.0191 481 ILE 39 HG12 -0.0013 -0.0090 -0.0085 482 ILE 39 HG13 0.0002 -0.0052 -0.0062 483 ILE 39 HG21 0.0037 -0.0105 -0.0236 484 ILE 39 HG22 0.0017 -0.0159 -0.0275 485 ILE 39 HG23 -0.0019 -0.0176 -0.0210 486 ILE 39 HD11 0.0059 0.0029 -0.0072 487 ILE 39 HD12 0.0083 0.0026 -0.0140 488 ILE 39 HD13 0.0066 -0.0010 -0.0154 489 PHE 40 N -0.0074 -0.0336 -0.0087 490 PHE 40 CA -0.0130 -0.0211 -0.0105 491 PHE 40 C -0.0042 -0.0197 -0.0063 492 PHE 40 O -0.0101 -0.0193 -0.0090 493 PHE 40 CB -0.0126 -0.0060 -0.0092 494 PHE 40 CG -0.0166 0.0081 -0.0101 495 PHE 40 CD1 -0.0309 0.0128 -0.0165 496 PHE 40 CD2 -0.0063 0.0170 -0.0047 497 PHE 40 CE1 -0.0346 0.0259 -0.0174 498 PHE 40 CE2 -0.0100 0.0300 -0.0055 499 PHE 40 CZ -0.0243 0.0346 -0.0119 500 PHE 40 H -0.0047 -0.0302 -0.0072 501 PHE 40 HA -0.0227 -0.0231 -0.0151 502 PHE 40 HB2 -0.0192 -0.0069 -0.0124 503 PHE 40 HB3 -0.0029 -0.0048 -0.0046 504 PHE 40 HD1 -0.0379 0.0069 -0.0202 505 PHE 40 HD2 0.0034 0.0139 -0.0004 506 PHE 40 HE1 -0.0442 0.0289 -0.0217 507 PHE 40 HE2 -0.0031 0.0359 -0.0019 508 PHE 40 HZ -0.0268 0.0440 -0.0125 509 GLU 41 N -0.0029 -0.0129 -0.0007 510 GLU 41 CA 0.0029 -0.0138 0.0034 511 GLU 41 C 0.0037 -0.0235 0.0016 512 GLU 41 O 0.0056 -0.0244 0.0028 513 GLU 41 CB 0.0108 -0.0118 0.0098 514 GLU 41 CG 0.0152 -0.0056 0.0146 515 GLU 41 CD 0.0110 0.0046 0.0139 516 GLU 41 OE1 0.0052 0.0073 0.0103 517 GLU 41 OE2 0.0134 0.0098 0.0170 518 GLU 41 H -0.0011 -0.0121 0.0008 519 GLU 41 HA 0.0014 -0.0091 0.0034 520 GLU 41 HB2 0.0099 -0.0086 0.0099 521 GLU 41 HB3 0.0141 -0.0179 0.0108 522 GLU 41 HG2 0.0203 -0.0052 0.0185 523 GLU 41 HG3 0.0158 -0.0084 0.0143 524 GLY 42 N -0.0001 -0.0146 -0.0027 525 GLY 42 CA -0.0007 -0.0123 -0.0019 526 GLY 42 C -0.0014 -0.0107 0.0007 527 GLY 42 O -0.0019 -0.0082 0.0010 528 GLY 42 H 0.0001 -0.0163 -0.0025 529 GLY 42 HA2 -0.0006 -0.0109 -0.0035 530 GLY 42 HA3 -0.0006 -0.0130 -0.0015 531 LEU 43 N -0.0367 0.0036 -0.0070 532 LEU 43 CA -0.0185 -0.0009 -0.0031 533 LEU 43 C -0.0239 -0.0243 -0.0177 534 LEU 43 O -0.0177 -0.0251 -0.0159 535 LEU 43 CB 0.0122 -0.0052 0.0053 536 LEU 43 CG 0.0224 0.0181 0.0215 537 LEU 43 CD1 0.0493 0.0092 0.0261 538 LEU 43 CD2 0.0274 0.0383 0.0342 539 LEU 43 H -0.0287 -0.0021 -0.0073 540 LEU 43 HA -0.0218 0.0144 0.0041 541 LEU 43 HB2 0.0148 -0.0196 -0.0016 542 LEU 43 HB3 0.0241 -0.0098 0.0070 543 LEU 43 HG 0.0082 0.0262 0.0210 544 LEU 43 HD11 0.0555 0.0243 0.0365 545 LEU 43 HD12 0.0456 -0.0031 0.0181 546 LEU 43 HD13 0.0635 0.0007 0.0264 547 LEU 43 HD21 0.0342 0.0529 0.0445 548 LEU 43 HD22 0.0412 0.0301 0.0346 549 LEU 43 HD23 0.0097 0.0444 0.0314 550 VAL 44 N -0.0174 -0.0297 -0.0105 551 VAL 44 CA -0.0174 -0.0229 -0.0117 552 VAL 44 C -0.0110 -0.0271 -0.0054 553 VAL 44 O -0.0134 -0.0282 -0.0072 554 VAL 44 CB -0.0154 -0.0096 -0.0122 555 VAL 44 CG1 -0.0072 -0.0071 -0.0055 556 VAL 44 CG2 -0.0139 -0.0029 -0.0121 557 VAL 44 H -0.0128 -0.0276 -0.0069 558 VAL 44 HA -0.0234 -0.0242 -0.0168 559 VAL 44 HB -0.0205 -0.0068 -0.0172 560 VAL 44 HG11 -0.0039 0.0003 -0.0039 561 VAL 44 HG12 -0.0093 -0.0065 -0.0074 562 VAL 44 HG13 -0.0035 -0.0135 -0.0012 563 VAL 44 HG21 -0.0144 0.0053 -0.0140 564 VAL 44 HG22 -0.0080 -0.0039 -0.0067 565 VAL 44 HG23 -0.0184 -0.0061 -0.0155 566 VAL 44 N -0.0173 -0.0296 -0.0104 567 VAL 44 CA -0.0173 -0.0225 -0.0117 568 VAL 44 C -0.0108 -0.0258 -0.0054 569 VAL 44 O -0.0126 -0.0245 -0.0072 570 VAL 44 CB -0.0158 -0.0092 -0.0127 571 VAL 44 CG1 -0.0233 -0.0053 -0.0199 572 VAL 44 CG2 -0.0066 -0.0058 -0.0052 573 VAL 44 H -0.0127 -0.0279 -0.0067 574 VAL 44 HA -0.0233 -0.0241 -0.0167 575 VAL 44 HB -0.0159 -0.0049 -0.0135 576 VAL 44 HG11 -0.0257 0.0013 -0.0232 577 VAL 44 HG12 -0.0280 -0.0118 -0.0229 578 VAL 44 HG13 -0.0209 -0.0030 -0.0182 579 VAL 44 HG21 -0.0067 0.0014 -0.0065 580 VAL 44 HG22 -0.0052 -0.0121 -0.0029 581 VAL 44 HG23 -0.0021 -0.0047 -0.0015 582 MET 45 N -0.0051 -0.0164 0.0020 583 MET 45 CA 0.0004 -0.0172 0.0045 584 MET 45 C 0.0027 -0.0240 0.0043 585 MET 45 O 0.0073 -0.0256 0.0062 586 MET 45 CB 0.0048 -0.0134 0.0073 587 MET 45 CG 0.0033 -0.0065 0.0080 588 MET 45 SD 0.0052 -0.0025 0.0096 589 MET 45 CE 0.0127 -0.0029 0.0132 590 MET 45 H -0.0050 -0.0172 0.0019 591 MET 45 HA -0.0001 -0.0159 0.0045 592 MET 45 HB2 0.0051 -0.0146 0.0073 593 MET 45 HB3 0.0083 -0.0142 0.0089 594 MET 45 HG2 -0.0007 -0.0057 0.0062 595 MET 45 HG3 0.0053 -0.0047 0.0093 596 MET 45 HE1 0.0140 -0.0007 0.0142 597 MET 45 HE2 0.0139 -0.0010 0.0141 598 MET 45 HE3 0.0142 -0.0072 0.0130 599 GLY 46 N 0.0044 -0.0189 0.0024 600 GLY 46 CA 0.0059 -0.0149 -0.0039 601 GLY 46 C 0.0116 -0.0141 -0.0049 602 GLY 46 O 0.0138 -0.0107 -0.0101 603 GLY 46 H 0.0077 -0.0199 0.0042 604 GLY 46 HA2 0.0015 -0.0140 -0.0059 605 GLY 46 HA3 0.0074 -0.0136 -0.0060 606 SER 47 N 0.0074 -0.0122 -0.0030 607 SER 47 CA 0.0107 -0.0123 -0.0032 608 SER 47 C 0.0110 -0.0133 -0.0002 609 SER 47 O 0.0095 -0.0142 0.0025 610 SER 47 CB 0.0140 -0.0123 -0.0034 611 SER 47 OG 0.0138 -0.0133 -0.0006 612 SER 47 H 0.0066 -0.0129 -0.0009 613 SER 47 HA 0.0107 -0.0116 -0.0053 614 SER 47 HB2 0.0162 -0.0125 -0.0032 615 SER 47 HB3 0.0140 -0.0116 -0.0055 616 SER 47 HG 0.0142 -0.0130 -0.0013 617 VAL 48 N 0.0062 -0.0074 0.0015 618 VAL 48 CA 0.0060 -0.0089 0.0038 619 VAL 48 C 0.0082 -0.0104 0.0038 620 VAL 48 O 0.0095 -0.0102 0.0020 621 VAL 48 CB 0.0038 -0.0080 0.0048 622 VAL 48 CG1 0.0015 -0.0066 0.0051 623 VAL 48 CG2 0.0041 -0.0070 0.0032 624 VAL 48 H 0.0069 -0.0071 0.0004 625 VAL 48 HA 0.0058 -0.0094 0.0049 626 VAL 48 HB 0.0038 -0.0090 0.0063 627 VAL 48 HG11 0.0002 -0.0061 0.0057 628 VAL 48 HG12 0.0014 -0.0073 0.0063 629 VAL 48 HG13 0.0016 -0.0055 0.0036 630 VAL 48 HG21 0.0027 -0.0064 0.0037 631 VAL 48 HG22 0.0043 -0.0061 0.0016 632 VAL 48 HG23 0.0054 -0.0080 0.0032 633 TRP 49 N 0.0047 -0.0060 0.0058 634 TRP 49 CA 0.0037 -0.0062 0.0057 635 TRP 49 C 0.0033 -0.0061 0.0060 636 TRP 49 O 0.0036 -0.0062 0.0058 637 TRP 49 CB 0.0035 -0.0065 0.0048 638 TRP 49 CG 0.0036 -0.0066 0.0045 639 TRP 49 CD1 0.0042 -0.0067 0.0040 640 TRP 49 CD2 0.0031 -0.0066 0.0048 641 TRP 49 NE1 0.0042 -0.0067 0.0039 642 TRP 49 CE2 0.0035 -0.0067 0.0043 643 TRP 49 CE3 0.0024 -0.0065 0.0053 644 TRP 49 CZ2 0.0031 -0.0067 0.0044 645 TRP 49 CZ3 0.0020 -0.0065 0.0054 646 TRP 49 CH2 0.0024 -0.0066 0.0049 647 TRP 49 H 0.0049 -0.0061 0.0054 648 TRP 49 HA 0.0035 -0.0061 0.0061 649 TRP 49 HB2 0.0038 -0.0066 0.0045 650 TRP 49 HB3 0.0029 -0.0066 0.0048 651 TRP 49 HD1 0.0047 -0.0067 0.0037 652 TRP 49 HE1 0.0045 -0.0068 0.0035 653 TRP 49 HE3 0.0021 -0.0064 0.0056 654 TRP 49 HZ2 0.0034 -0.0068 0.0041 655 TRP 49 HZ3 0.0015 -0.0064 0.0057 656 TRP 49 HH2 0.0021 -0.0066 0.0050 657 VAL 50 N -0.0006 -0.0015 0.0041 658 VAL 50 CA -0.0003 -0.0015 0.0037 659 VAL 50 C -0.0003 -0.0010 0.0036 660 VAL 50 O -0.0006 -0.0008 0.0038 661 VAL 50 CB -0.0002 -0.0019 0.0038 662 VAL 50 CG1 0.0001 -0.0019 0.0035 663 VAL 50 CG2 -0.0002 -0.0024 0.0040 664 VAL 50 H -0.0008 -0.0014 0.0043 665 VAL 50 HA -0.0001 -0.0015 0.0035 666 VAL 50 HB -0.0004 -0.0018 0.0040 667 VAL 50 HG11 0.0002 -0.0022 0.0035 668 VAL 50 HG12 0.0001 -0.0016 0.0034 669 VAL 50 HG13 0.0003 -0.0019 0.0033 670 VAL 50 HG21 -0.0002 -0.0026 0.0041 671 VAL 50 HG22 -0.0000 -0.0025 0.0038 672 VAL 50 HG23 -0.0004 -0.0024 0.0043 673 ILE 51 N -0.0017 0.0068 0.0092 674 ILE 51 CA -0.0026 0.0078 0.0085 675 ILE 51 C -0.0029 0.0080 0.0077 676 ILE 51 O -0.0025 0.0075 0.0066 677 ILE 51 CB -0.0027 0.0078 0.0075 678 ILE 51 CG1 -0.0023 0.0074 0.0082 679 ILE 51 CG2 -0.0037 0.0089 0.0071 680 ILE 51 CD1 -0.0014 0.0063 0.0077 681 ILE 51 H -0.0013 0.0063 0.0087 682 ILE 51 HA -0.0031 0.0084 0.0093 683 ILE 51 HB -0.0023 0.0073 0.0067 684 ILE 51 HG12 -0.0027 0.0079 0.0081 685 ILE 51 HG13 -0.0022 0.0073 0.0092 686 ILE 51 HG21 -0.0038 0.0089 0.0064 687 ILE 51 HG22 -0.0040 0.0092 0.0066 688 ILE 51 HG23 -0.0041 0.0094 0.0079 689 ILE 51 HD11 -0.0011 0.0061 0.0082 690 ILE 51 HD12 -0.0009 0.0058 0.0078 691 ILE 51 HD13 -0.0015 0.0063 0.0067 692 ARG 52 N -0.0023 0.0140 0.0047 693 ARG 52 CA -0.0017 0.0140 0.0040 694 ARG 52 C -0.0010 0.0146 0.0043 695 ARG 52 O -0.0007 0.0151 0.0048 696 ARG 52 CB -0.0014 0.0138 0.0033 697 ARG 52 CG -0.0008 0.0137 0.0025 698 ARG 52 CD -0.0005 0.0135 0.0019 699 ARG 52 NE 0.0002 0.0135 0.0012 700 ARG 52 CZ 0.0005 0.0134 0.0006 701 ARG 52 NH1 0.0003 0.0133 0.0007 702 ARG 52 NH2 0.0011 0.0134 -0.0000 703 ARG 52 H -0.0023 0.0140 0.0046 704 ARG 52 HA -0.0019 0.0137 0.0038 705 ARG 52 HB2 -0.0019 0.0134 0.0031 706 ARG 52 HB3 -0.0012 0.0140 0.0035 707 ARG 52 HG2 -0.0003 0.0141 0.0027 708 ARG 52 HG3 -0.0010 0.0134 0.0022 709 ARG 52 HD2 -0.0009 0.0132 0.0018 710 ARG 52 HD3 -0.0003 0.0139 0.0023 711 ARG 52 HE 0.0004 0.0136 0.0011 712 ARG 52 HH11 -0.0001 0.0133 0.0011 713 ARG 52 HH12 0.0006 0.0132 0.0003 714 ARG 52 HH21 0.0013 0.0134 -0.0001 715 ARG 52 HH22 0.0014 0.0133 -0.0004 716 GLN 53 N 0.0044 0.0240 0.0058 717 GLN 53 CA 0.0048 0.0264 0.0042 718 GLN 53 C 0.0053 0.0285 0.0022 719 GLN 53 O 0.0055 0.0277 0.0017 720 GLN 53 CB 0.0053 0.0246 0.0021 721 GLN 53 CG 0.0049 0.0218 0.0038 722 GLN 53 CD 0.0043 0.0231 0.0062 723 GLN 53 OE1 0.0045 0.0254 0.0056 724 GLN 53 NE2 0.0036 0.0215 0.0090 725 GLN 53 H 0.0047 0.0224 0.0047 726 GLN 53 HA 0.0045 0.0278 0.0056 727 GLN 53 HB2 0.0058 0.0237 0.0003 728 GLN 53 HB3 0.0055 0.0262 0.0014 729 GLN 53 HG2 0.0046 0.0204 0.0048 730 GLN 53 HG3 0.0053 0.0206 0.0022 731 GLN 53 HE21 0.0035 0.0199 0.0093 732 GLN 53 HE22 0.0033 0.0221 0.0104 733 LYS 54 N 0.0029 0.0293 0.0015 734 LYS 54 CA 0.0003 0.0224 0.0077 735 LYS 54 C -0.0032 0.0276 0.0182 736 LYS 54 O -0.0052 0.0236 0.0232 737 LYS 54 CB -0.0009 0.0112 0.0098 738 LYS 54 CG 0.0020 0.0030 0.0007 739 LYS 54 CD 0.0010 -0.0066 0.0024 740 LYS 54 CE 0.0046 -0.0102 -0.0080 741 LYS 54 NZ 0.0074 -0.0133 -0.0162 742 LYS 54 H 0.0031 0.0264 0.0003 743 LYS 54 HA 0.0017 0.0213 0.0036 744 LYS 54 HB2 -0.0015 0.0126 0.0115 745 LYS 54 HB3 -0.0032 0.0078 0.0157 746 LYS 54 HG2 0.0021 -0.0000 0.0000 747 LYS 54 HG3 0.0045 0.0068 -0.0057 748 LYS 54 HD2 -0.0006 -0.0043 0.0072 749 LYS 54 HD3 -0.0003 -0.0129 0.0052 750 LYS 54 HE2 0.0058 -0.0040 -0.0107 751 LYS 54 HE3 0.0039 -0.0165 -0.0068 752 LYS 54 HZ1 0.0094 -0.0153 -0.0221 753 LYS 54 HZ2 0.0064 -0.0191 -0.0140 754 LYS 54 HZ3 0.0081 -0.0076 -0.0174 755 ASP 55 N -0.0421 0.0265 -0.0021 756 ASP 55 CA -0.0436 0.0322 0.0087 757 ASP 55 C -0.0289 0.0426 0.0233 758 ASP 55 O -0.0270 0.0479 0.0323 759 ASP 55 CB -0.0406 0.0262 -0.0032 760 ASP 55 CG -0.0190 0.0259 -0.0106 761 ASP 55 OD1 -0.0076 0.0274 -0.0114 762 ASP 55 OD2 -0.0134 0.0241 -0.0157 763 ASP 55 H -0.0325 0.0236 -0.0106 764 ASP 55 HA -0.0571 0.0331 0.0146 765 ASP 55 HB2 -0.0446 0.0294 0.0039 766 ASP 55 HB3 -0.0489 0.0193 -0.0132 767 ASP 56 N -0.0006 0.0293 0.0043 768 ASP 56 CA -0.0001 0.0276 0.0060 769 ASP 56 C 0.0015 0.0263 0.0057 770 ASP 56 O 0.0021 0.0248 0.0070 771 ASP 56 CB 0.0003 0.0269 0.0067 772 ASP 56 CG -0.0014 0.0278 0.0077 773 ASP 56 OD1 -0.0028 0.0288 0.0083 774 ASP 56 OD2 -0.0012 0.0275 0.0080 775 ASP 56 H -0.0016 0.0301 0.0046 776 ASP 56 HA -0.0010 0.0278 0.0072 777 ASP 56 HB2 0.0010 0.0269 0.0055 778 ASP 56 HB3 0.0008 0.0257 0.0076 779 SER 57 N 0.0124 0.0234 0.0074 780 SER 57 CA 0.0181 0.0239 0.0052 781 SER 57 C 0.0122 0.0246 0.0059 782 SER 57 O 0.0039 0.0258 0.0064 783 SER 57 CB 0.0222 0.0289 -0.0029 784 SER 57 OG 0.0155 0.0339 -0.0078 785 SER 57 H 0.0115 0.0262 0.0038 786 SER 57 HA 0.0228 0.0206 0.0084 787 SER 57 HB2 0.0262 0.0290 -0.0041 788 SER 57 HB3 0.0256 0.0287 -0.0035 789 SER 57 HG 0.0179 0.0366 -0.0122 790 LEU 58 N 0.0072 0.0106 0.0056 791 LEU 58 CA 0.0032 0.0109 0.0073 792 LEU 58 C 0.0019 0.0130 0.0084 793 LEU 58 O 0.0035 0.0129 0.0077 794 LEU 58 CB 0.0012 0.0068 0.0073 795 LEU 58 CG 0.0022 0.0043 0.0063 796 LEU 58 CD1 0.0036 0.0006 0.0049 797 LEU 58 CD2 -0.0008 0.0033 0.0074 798 LEU 58 H 0.0079 0.0097 0.0051 799 LEU 58 HA 0.0027 0.0124 0.0079 800 LEU 58 HB2 0.0016 0.0054 0.0068 801 LEU 58 HB3 -0.0014 0.0071 0.0085 802 LEU 58 HG 0.0041 0.0058 0.0058 803 LEU 58 HD11 0.0042 -0.0011 0.0043 804 LEU 58 HD12 0.0058 0.0012 0.0041 805 LEU 58 HD13 0.0017 -0.0008 0.0054 806 LEU 58 HD21 0.0000 0.0018 0.0067 807 LEU 58 HD22 -0.0029 0.0019 0.0080 808 LEU 58 HD23 -0.0017 0.0057 0.0083 809 LYS 59 N 0.0064 0.0070 0.0118 810 LYS 59 CA 0.0046 0.0087 0.0124 811 LYS 59 C 0.0020 0.0078 0.0116 812 LYS 59 O 0.0016 0.0067 0.0109 813 LYS 59 CB 0.0047 0.0109 0.0136 814 LYS 59 CG 0.0069 0.0122 0.0146 815 LYS 59 CD 0.0075 0.0138 0.0156 816 LYS 59 CE 0.0099 0.0149 0.0165 817 LYS 59 NZ 0.0095 0.0171 0.0176 818 LYS 59 H 0.0064 0.0068 0.0116 819 LYS 59 HA 0.0048 0.0090 0.0127 820 LYS 59 HB2 0.0048 0.0105 0.0135 821 LYS 59 HB3 0.0032 0.0118 0.0139 822 LYS 59 HG2 0.0066 0.0129 0.0150 823 LYS 59 HG3 0.0084 0.0111 0.0143 824 LYS 59 HD2 0.0077 0.0131 0.0152 825 LYS 59 HD3 0.0062 0.0150 0.0161 826 LYS 59 HE2 0.0109 0.0139 0.0161 827 LYS 59 HE3 0.0109 0.0151 0.0168 828 LYS 59 HZ1 0.0086 0.0180 0.0180 829 LYS 59 HZ2 0.0086 0.0169 0.0174 830 LYS 59 HZ3 0.0109 0.0176 0.0181 831 VAL 60 N 0.0028 0.0008 0.0126 832 VAL 60 CA 0.0018 0.0004 0.0123 833 VAL 60 C 0.0005 0.0004 0.0138 834 VAL 60 O -0.0003 0.0002 0.0141 835 VAL 60 CB 0.0010 -0.0003 0.0108 836 VAL 60 CG1 -0.0001 -0.0007 0.0106 837 VAL 60 CG2 0.0022 -0.0003 0.0093 838 VAL 60 H 0.0022 0.0007 0.0129 839 VAL 60 HA 0.0024 0.0006 0.0123 840 VAL 60 HB 0.0004 -0.0005 0.0107 841 VAL 60 HG11 -0.0004 -0.0011 0.0095 842 VAL 60 HG12 -0.0011 -0.0009 0.0113 843 VAL 60 HG13 0.0004 -0.0005 0.0110 844 VAL 60 HG21 0.0017 -0.0008 0.0084 845 VAL 60 HG22 0.0029 -0.0001 0.0094 846 VAL 60 HG23 0.0028 -0.0002 0.0093 847 PHE 61 N 0.0043 -0.0031 0.0113 848 PHE 61 CA 0.0039 -0.0031 0.0119 849 PHE 61 C 0.0033 -0.0039 0.0128 850 PHE 61 O 0.0030 -0.0038 0.0133 851 PHE 61 CB 0.0037 -0.0019 0.0122 852 PHE 61 CG 0.0043 -0.0011 0.0113 853 PHE 61 CD1 0.0046 -0.0012 0.0107 854 PHE 61 CD2 0.0044 -0.0002 0.0111 855 PHE 61 CE1 0.0051 -0.0005 0.0099 856 PHE 61 CE2 0.0049 0.0006 0.0103 857 PHE 61 CZ 0.0053 0.0004 0.0097 858 PHE 61 H 0.0041 -0.0028 0.0116 859 PHE 61 HA 0.0042 -0.0035 0.0114 860 PHE 61 HB2 0.0034 -0.0015 0.0126 861 PHE 61 HB3 0.0035 -0.0020 0.0126 862 PHE 61 HD1 0.0045 -0.0018 0.0109 863 PHE 61 HD2 0.0042 -0.0001 0.0114 864 PHE 61 HE1 0.0053 -0.0006 0.0095 865 PHE 61 HE2 0.0050 0.0012 0.0101 866 PHE 61 HZ 0.0056 0.0009 0.0091 867 SER 62 N 0.0053 -0.0037 0.0133 868 SER 62 CA 0.0052 -0.0032 0.0118 869 SER 62 C 0.0049 -0.0044 0.0105 870 SER 62 O 0.0048 -0.0050 0.0105 871 SER 62 CB 0.0054 -0.0016 0.0113 872 SER 62 OG 0.0053 -0.0011 0.0099 873 SER 62 H 0.0054 -0.0031 0.0137 874 SER 62 HA 0.0052 -0.0032 0.0119 875 SER 62 HB2 0.0056 -0.0009 0.0121 876 SER 62 HB3 0.0054 -0.0017 0.0112 877 SER 62 HG 0.0052 -0.0015 0.0097 878 THR 63 N 0.0090 -0.0070 0.0066 879 THR 63 CA 0.0078 -0.0072 0.0055 880 THR 63 C 0.0061 -0.0049 0.0053 881 THR 63 O 0.0051 -0.0048 0.0046 882 THR 63 CB 0.0068 -0.0093 0.0037 883 THR 63 OG1 0.0054 -0.0088 0.0028 884 THR 63 CG2 0.0085 -0.0118 0.0038 885 THR 63 H 0.0086 -0.0076 0.0059 886 THR 63 HA 0.0088 -0.0076 0.0061 887 THR 63 HB 0.0060 -0.0095 0.0030 888 THR 63 HG1 0.0048 -0.0099 0.0018 889 THR 63 HG21 0.0077 -0.0131 0.0026 890 THR 63 HG22 0.0094 -0.0122 0.0043 891 THR 63 HG23 0.0093 -0.0117 0.0045 892 ASN 64 N 0.0017 0.0013 0.0046 893 ASN 64 CA -0.0003 0.0060 0.0022 894 ASN 64 C 0.0009 0.0099 0.0026 895 ASN 64 O 0.0045 0.0115 0.0052 896 ASN 64 CB 0.0011 0.0083 0.0030 897 ASN 64 CG -0.0011 0.0129 0.0005 898 ASN 64 OD1 -0.0048 0.0126 -0.0024 899 ASN 64 ND2 0.0012 0.0171 0.0018 900 ASN 64 H 0.0041 0.0014 0.0064 901 ASN 64 HA -0.0032 0.0052 0.0000 902 ASN 64 HB2 0.0006 0.0056 0.0030 903 ASN 64 HB3 0.0040 0.0094 0.0051 904 ASN 64 HD21 0.0001 0.0198 0.0005 905 ASN 64 HD22 0.0038 0.0171 0.0039 906 ASN 64 N 0.0016 0.0012 0.0045 907 ASN 64 CA -0.0004 0.0059 0.0022 908 ASN 64 C 0.0008 0.0096 0.0026 909 ASN 64 O 0.0044 0.0107 0.0053 910 ASN 64 CB 0.0005 0.0086 0.0025 911 ASN 64 CG -0.0015 0.0057 0.0013 912 ASN 64 OD1 -0.0046 0.0028 -0.0008 913 ASN 64 ND2 0.0003 0.0065 0.0027 914 ASN 64 H 0.0039 0.0012 0.0063 915 ASN 64 HA -0.0033 0.0049 -0.0000 916 ASN 64 HB2 0.0034 0.0089 0.0048 917 ASN 64 HB3 -0.0005 0.0120 0.0012 918 ASN 64 HD21 -0.0007 0.0050 0.0021 919 ASN 64 HD22 0.0025 0.0085 0.0041 920 CYS 65 N -0.0040 0.0130 0.0003 921 CYS 65 CA -0.0041 0.0127 -0.0001 922 CYS 65 C -0.0035 0.0143 0.0001 923 CYS 65 O -0.0030 0.0155 -0.0007 924 CYS 65 CB -0.0045 0.0121 -0.0019 925 CYS 65 SG -0.0047 0.0117 -0.0024 926 CYS 65 HA -0.0044 0.0120 0.0008 927 CYS 65 HB2 -0.0049 0.0111 -0.0019 928 CYS 65 HB3 -0.0042 0.0129 -0.0027 929 CYS 65 H -0.0041 0.0128 -0.0006 930 CYS 65 H -0.0041 0.0129 -0.0006 931 PRO 66 N -0.0107 0.0086 -0.0105 932 PRO 66 CA -0.0110 0.0099 -0.0098 933 PRO 66 C -0.0096 0.0090 -0.0119 934 PRO 66 O -0.0097 0.0104 -0.0116 935 PRO 66 CB -0.0131 0.0086 -0.0072 936 PRO 66 CG -0.0135 0.0054 -0.0072 937 PRO 66 CD -0.0124 0.0062 -0.0086 938 PRO 66 HA -0.0108 0.0123 -0.0096 939 PRO 66 HB2 -0.0133 0.0081 -0.0070 940 PRO 66 HB3 -0.0140 0.0101 -0.0057 941 PRO 66 HG2 -0.0131 0.0036 -0.0082 942 PRO 66 HG3 -0.0149 0.0048 -0.0054 943 PRO 66 HD2 -0.0120 0.0043 -0.0096 944 PRO 66 HD3 -0.0132 0.0072 -0.0074 945 HIS 67 N -0.0119 0.0158 -0.0203 946 HIS 67 CA -0.0093 0.0124 -0.0188 947 HIS 67 C -0.0063 0.0117 -0.0165 948 HIS 67 O -0.0061 0.0085 -0.0169 949 HIS 67 CB -0.0080 0.0135 -0.0176 950 HIS 67 CG -0.0053 0.0102 -0.0159 951 HIS 67 ND1 -0.0023 0.0114 -0.0132 952 HIS 67 CD2 -0.0049 0.0057 -0.0165 953 HIS 67 CE1 -0.0003 0.0078 -0.0123 954 HIS 67 NE2 -0.0018 0.0044 -0.0142 955 HIS 67 H -0.0120 0.0182 -0.0198 956 HIS 67 HA -0.0102 0.0096 -0.0201 957 HIS 67 HB2 -0.0100 0.0136 -0.0191 958 HIS 67 HB3 -0.0071 0.0163 -0.0163 959 HIS 67 HD2 -0.0065 0.0040 -0.0182 960 HIS 67 HE1 0.0018 0.0078 -0.0106 961 HIS 67 HE2 -0.0010 0.0017 -0.0141 962 LEU 68 N -0.0019 0.0232 -0.0219 963 LEU 68 CA 0.0113 0.0207 -0.0116 964 LEU 68 C 0.0136 0.0384 -0.0052 965 LEU 68 O 0.0259 0.0404 0.0056 966 LEU 68 CB 0.0247 0.0123 -0.0026 967 LEU 68 CG 0.0250 -0.0077 -0.0074 968 LEU 68 CD1 0.0382 -0.0143 0.0020 969 LEU 68 CD2 0.0249 -0.0202 -0.0106 970 LEU 68 H -0.0031 0.0331 -0.0205 971 LEU 68 HA 0.0104 0.0119 -0.0146 972 LEU 68 HB2 0.0249 0.0193 -0.0006 973 LEU 68 HB3 0.0333 0.0130 0.0048 974 LEU 68 HG 0.0163 -0.0084 -0.0149 975 LEU 68 HD11 0.0383 -0.0270 -0.0012 976 LEU 68 HD12 0.0379 -0.0069 0.0036 977 LEU 68 HD13 0.0469 -0.0131 0.0095 978 LEU 68 HD21 0.0275 -0.0328 -0.0117 979 LEU 68 HD22 0.0319 -0.0172 -0.0040 980 LEU 68 HD23 0.0153 -0.0182 -0.0182 981 GLY 69 N -0.0025 0.0278 -0.0091 982 GLY 69 CA -0.0024 0.0253 -0.0049 983 GLY 69 C -0.0069 0.0207 -0.0053 984 GLY 69 O -0.0070 0.0188 -0.0023 985 GLY 69 H -0.0026 0.0270 -0.0081 986 GLY 69 HA2 -0.0010 0.0245 -0.0012 987 GLY 69 HA3 -0.0005 0.0274 -0.0052 988 CYS 70 N -0.0089 0.0195 0.0012 989 CYS 70 CA -0.0087 0.0160 -0.0010 990 CYS 70 C -0.0052 0.0129 -0.0004 991 CYS 70 O -0.0027 0.0135 0.0020 992 CYS 70 CB -0.0089 0.0165 -0.0009 993 CYS 70 SG -0.0133 0.0194 -0.0024 994 CYS 70 H -0.0089 0.0214 0.0024 995 CYS 70 HA -0.0107 0.0153 -0.0031 996 CYS 70 HB2 -0.0072 0.0177 0.0013 997 CYS 70 HB3 -0.0082 0.0140 -0.0020 998 GLY 71 N -0.0061 0.0051 -0.0038 999 GLY 71 CA -0.0009 -0.0004 -0.0029 1000 GLY 71 C 0.0042 -0.0022 0.0012 1001 GLY 71 O 0.0038 -0.0026 0.0005 1002 GLY 71 H -0.0086 0.0042 -0.0075 1003 GLY 71 HA2 -0.0000 0.0006 -0.0009 1004 GLY 71 HA3 -0.0014 -0.0041 -0.0068 1005 ILE 72 N 0.0046 -0.0029 0.0009 1006 ILE 72 CA 0.0047 -0.0037 0.0014 1007 ILE 72 C 0.0048 -0.0045 0.0013 1008 ILE 72 O 0.0048 -0.0044 0.0014 1009 ILE 72 CB 0.0046 -0.0035 0.0024 1010 ILE 72 CG1 0.0045 -0.0027 0.0025 1011 ILE 72 CG2 0.0047 -0.0043 0.0029 1012 ILE 72 CD1 0.0044 -0.0024 0.0035 1013 ILE 72 H 0.0045 -0.0026 0.0012 1014 ILE 72 HA 0.0047 -0.0039 0.0011 1015 ILE 72 HB 0.0046 -0.0032 0.0026 1016 ILE 72 HG12 0.0045 -0.0030 0.0023 1017 ILE 72 HG13 0.0045 -0.0022 0.0021 1018 ILE 72 HG21 0.0046 -0.0042 0.0036 1019 ILE 72 HG22 0.0047 -0.0047 0.0029 1020 ILE 72 HG23 0.0047 -0.0046 0.0027 1021 ILE 72 HD11 0.0044 -0.0020 0.0035 1022 ILE 72 HD12 0.0044 -0.0020 0.0036 1023 ILE 72 HD13 0.0045 -0.0029 0.0039 1024 ASP 73 N 0.0084 -0.0083 0.0080 1025 ASP 73 CA 0.0069 -0.0069 0.0089 1026 ASP 73 C 0.0044 -0.0069 0.0079 1027 ASP 73 O 0.0039 -0.0083 0.0063 1028 ASP 73 CB 0.0075 -0.0069 0.0091 1029 ASP 73 CG 0.0099 -0.0068 0.0102 1030 ASP 73 OD1 0.0107 -0.0058 0.0115 1031 ASP 73 OD2 0.0110 -0.0077 0.0097 1032 ASP 73 H 0.0086 -0.0093 0.0071 1033 ASP 73 HA 0.0070 -0.0058 0.0101 1034 ASP 73 HB2 0.0074 -0.0080 0.0079 1035 ASP 73 HB3 0.0064 -0.0060 0.0097 1036 TRP 74 N -0.0083 0.0021 0.0010 1037 TRP 74 CA -0.0101 0.0013 0.0011 1038 TRP 74 C -0.0109 0.0006 0.0005 1039 TRP 74 O -0.0109 0.0009 0.0010 1040 TRP 74 CB -0.0109 0.0019 0.0028 1041 TRP 74 CG -0.0128 0.0012 0.0030 1042 TRP 74 CD1 -0.0140 0.0010 0.0037 1043 TRP 74 CD2 -0.0136 0.0005 0.0025 1044 TRP 74 NE1 -0.0155 0.0003 0.0036 1045 TRP 74 CE2 -0.0153 -0.0001 0.0029 1046 TRP 74 CE3 -0.0130 0.0003 0.0017 1047 TRP 74 CZ2 -0.0164 -0.0008 0.0026 1048 TRP 74 CZ3 -0.0141 -0.0004 0.0014 1049 TRP 74 CH2 -0.0159 -0.0010 0.0018 1050 TRP 74 H -0.0082 0.0026 0.0017 1051 TRP 74 HA -0.0101 0.0009 0.0005 1052 TRP 74 HB2 -0.0105 0.0024 0.0031 1053 TRP 74 HB3 -0.0108 0.0024 0.0034 1054 TRP 74 HD1 -0.0139 0.0013 0.0041 1055 TRP 74 HE1 -0.0165 0.0001 0.0040 1056 TRP 74 HE3 -0.0119 0.0007 0.0014 1057 TRP 74 HZ2 -0.0176 -0.0011 0.0029 1058 TRP 74 HZ3 -0.0138 -0.0005 0.0009 1059 TRP 74 HH2 -0.0166 -0.0014 0.0016 1060 ALA 75 N -0.0243 -0.0037 0.0086 1061 ALA 75 CA -0.0252 -0.0009 0.0098 1062 ALA 75 C -0.0236 0.0008 0.0080 1063 ALA 75 O -0.0222 0.0022 0.0064 1064 ALA 75 CB -0.0260 0.0011 0.0108 1065 ALA 75 H -0.0235 -0.0033 0.0077 1066 ALA 75 HA -0.0264 -0.0016 0.0111 1067 ALA 75 HB1 -0.0266 0.0030 0.0116 1068 ALA 75 HB2 -0.0270 -0.0001 0.0120 1069 ALA 75 HB3 -0.0249 0.0017 0.0095 1070 ASN 76 N -0.0259 -0.0105 -0.0115 1071 ASN 76 CA -0.0092 -0.0152 -0.0118 1072 ASN 76 C 0.0004 -0.0096 -0.0033 1073 ASN 76 O 0.0146 -0.0104 -0.0002 1074 ASN 76 CB -0.0060 -0.0278 -0.0244 1075 ASN 76 CG -0.0016 -0.0343 -0.0301 1076 ASN 76 OD1 0.0090 -0.0323 -0.0250 1077 ASN 76 ND2 -0.0097 -0.0423 -0.0408 1078 ASN 76 H -0.0315 -0.0148 -0.0176 1079 ASN 76 HA -0.0056 -0.0139 -0.0095 1080 ASN 76 HB2 -0.0154 -0.0299 -0.0292 1081 ASN 76 HB3 0.0026 -0.0298 -0.0241 1082 ASN 76 HD21 -0.0169 -0.0434 -0.0440 1083 ASN 76 HD22 -0.0076 -0.0462 -0.0444 1084 ASP 77 N -0.0051 0.0087 -0.0090 1085 ASP 77 CA 0.0135 -0.0089 0.0064 1086 ASP 77 C -0.0042 -0.0265 0.0287 1087 ASP 77 O -0.0038 -0.0347 0.0374 1088 ASP 77 CB 0.0413 -0.0149 0.0076 1089 ASP 77 CG 0.0360 -0.0193 0.0133 1090 ASP 77 OD1 0.0111 -0.0173 0.0159 1091 ASP 77 OD2 0.0585 -0.0250 0.0152 1092 ASP 77 H -0.0025 0.0107 -0.0116 1093 ASP 77 HA 0.0209 -0.0052 0.0010 1094 ASP 77 HB2 0.0523 -0.0272 0.0187 1095 ASP 77 HB3 0.0531 -0.0038 -0.0066 1096 VAL 78 N -0.0146 0.0130 0.0189 1097 VAL 78 CA -0.0161 0.0112 0.0195 1098 VAL 78 C -0.0190 0.0076 0.0111 1099 VAL 78 O -0.0201 0.0063 0.0104 1100 VAL 78 CB -0.0197 0.0069 0.0280 1101 VAL 78 CG1 -0.0164 0.0110 0.0363 1102 VAL 78 CG2 -0.0252 0.0003 0.0279 1103 VAL 78 H -0.0171 0.0100 0.0209 1104 VAL 78 HA -0.0127 0.0153 0.0202 1105 VAL 78 HB -0.0208 0.0057 0.0280 1106 VAL 78 HG11 -0.0188 0.0082 0.0415 1107 VAL 78 HG12 -0.0130 0.0150 0.0364 1108 VAL 78 HG13 -0.0153 0.0123 0.0364 1109 VAL 78 HG21 -0.0277 -0.0025 0.0328 1110 VAL 78 HG22 -0.0243 0.0015 0.0285 1111 VAL 78 HG23 -0.0272 -0.0021 0.0223 1112 SER 79 N -0.0249 -0.0027 0.0049 1113 SER 79 CA -0.0250 -0.0030 0.0042 1114 SER 79 C -0.0240 -0.0048 0.0032 1115 SER 79 O -0.0246 -0.0054 0.0016 1116 SER 79 CB -0.0268 -0.0021 0.0031 1117 SER 79 OG -0.0276 -0.0004 0.0042 1118 SER 79 H -0.0247 -0.0021 0.0060 1119 SER 79 HA -0.0247 -0.0026 0.0053 1120 SER 79 HB2 -0.0273 -0.0023 0.0021 1121 SER 79 HB3 -0.0268 -0.0025 0.0025 1122 SER 79 HG -0.0285 0.0001 0.0036 1123 ARG 80 N -0.0188 0.0032 0.0093 1124 ARG 80 CA -0.0117 -0.0026 0.0059 1125 ARG 80 C -0.0035 -0.0017 0.0127 1126 ARG 80 O -0.0021 0.0020 0.0190 1127 ARG 80 CB -0.0091 -0.0080 -0.0002 1128 ARG 80 CG -0.0166 -0.0093 -0.0071 1129 ARG 80 CD -0.0205 -0.0115 -0.0130 1130 ARG 80 NE -0.0260 -0.0141 -0.0205 1131 ARG 80 CZ -0.0319 -0.0151 -0.0261 1132 ARG 80 NH1 -0.0333 -0.0137 -0.0250 1133 ARG 80 NH2 -0.0364 -0.0176 -0.0328 1134 ARG 80 H -0.0168 0.0049 0.0131 1135 ARG 80 HA -0.0138 -0.0035 0.0031 1136 ARG 80 HB2 -0.0065 -0.0072 0.0028 1137 ARG 80 HB3 -0.0048 -0.0117 -0.0025 1138 ARG 80 HG2 -0.0214 -0.0055 -0.0050 1139 ARG 80 HG3 -0.0143 -0.0125 -0.0102 1140 ARG 80 HD2 -0.0158 -0.0146 -0.0142 1141 ARG 80 HD3 -0.0242 -0.0080 -0.0105 1142 ARG 80 HE -0.0254 -0.0150 -0.0215 1143 ARG 80 HH11 -0.0304 -0.0121 -0.0207 1144 ARG 80 HH12 -0.0371 -0.0144 -0.0286 1145 ARG 80 HH21 -0.0355 -0.0186 -0.0335 1146 ARG 80 HH22 -0.0403 -0.0183 -0.0364 1147 PHE 81 N 0.0002 -0.0047 0.0006 1148 PHE 81 CA 0.0023 -0.0047 0.0016 1149 PHE 81 C 0.0037 -0.0059 0.0009 1150 PHE 81 O 0.0036 -0.0072 -0.0007 1151 PHE 81 CB 0.0030 -0.0051 0.0015 1152 PHE 81 CG 0.0020 -0.0039 0.0024 1153 PHE 81 CD1 0.0025 -0.0026 0.0042 1154 PHE 81 CD2 0.0006 -0.0040 0.0015 1155 PHE 81 CE1 0.0017 -0.0015 0.0051 1156 PHE 81 CE2 -0.0002 -0.0029 0.0025 1157 PHE 81 CZ 0.0003 -0.0016 0.0043 1158 PHE 81 H -0.0002 -0.0051 -0.0002 1159 PHE 81 HA 0.0025 -0.0038 0.0028 1160 PHE 81 HB2 0.0027 -0.0060 0.0002 1161 PHE 81 HB3 0.0045 -0.0054 0.0020 1162 PHE 81 HD1 0.0035 -0.0025 0.0048 1163 PHE 81 HD2 0.0003 -0.0049 0.0003 1164 PHE 81 HE1 0.0020 -0.0007 0.0064 1165 PHE 81 HE2 -0.0012 -0.0030 0.0019 1166 PHE 81 HZ -0.0003 -0.0009 0.0049 1167 LEU 82 N 0.0093 -0.0108 0.0103 1168 LEU 82 CA 0.0102 -0.0115 0.0103 1169 LEU 82 C 0.0122 -0.0126 0.0117 1170 LEU 82 O 0.0126 -0.0122 0.0136 1171 LEU 82 CB 0.0091 -0.0102 0.0114 1172 LEU 82 CG 0.0070 -0.0089 0.0104 1173 LEU 82 CD1 0.0061 -0.0078 0.0116 1174 LEU 82 CD2 0.0066 -0.0096 0.0078 1175 LEU 82 H 0.0094 -0.0104 0.0116 1176 LEU 82 HA 0.0102 -0.0121 0.0087 1177 LEU 82 HB2 0.0092 -0.0098 0.0130 1178 LEU 82 HB3 0.0097 -0.0107 0.0113 1179 LEU 82 HG 0.0063 -0.0084 0.0106 1180 LEU 82 HD11 0.0048 -0.0070 0.0109 1181 LEU 82 HD12 0.0063 -0.0074 0.0132 1182 LEU 82 HD13 0.0068 -0.0084 0.0114 1183 LEU 82 HD21 0.0053 -0.0087 0.0072 1184 LEU 82 HD22 0.0073 -0.0102 0.0076 1185 LEU 82 HD23 0.0070 -0.0102 0.0070 1186 CYS 83 N 0.0152 -0.0057 0.0058 1187 CYS 83 CA 0.0122 -0.0040 0.0036 1188 CYS 83 C 0.0119 -0.0040 0.0028 1189 CYS 83 O 0.0118 -0.0032 0.0054 1190 CYS 83 CB 0.0097 -0.0014 0.0055 1191 CYS 83 SG 0.0060 0.0006 0.0027 1192 CYS 83 H 0.0155 -0.0053 0.0080 1193 CYS 83 HA 0.0121 -0.0046 0.0014 1194 CYS 83 HB2 0.0098 -0.0014 0.0060 1195 CYS 83 HB3 0.0098 -0.0008 0.0078 1196 PRO 84 N 0.0070 -0.0049 0.0147 1197 PRO 84 CA 0.0051 -0.0043 0.0138 1198 PRO 84 C -0.0052 0.0028 0.0151 1199 PRO 84 O -0.0071 0.0042 0.0154 1200 PRO 84 CB 0.0057 -0.0110 0.0028 1201 PRO 84 CG 0.0026 -0.0124 -0.0029 1202 PRO 84 CD 0.0064 -0.0103 0.0047 1203 PRO 84 HA 0.0103 -0.0047 0.0187 1204 PRO 84 HB2 0.0011 -0.0098 -0.0002 1205 PRO 84 HB3 0.0126 -0.0152 0.0028 1206 PRO 84 HG2 -0.0047 -0.0093 -0.0055 1207 PRO 84 HG3 0.0057 -0.0176 -0.0087 1208 PRO 84 HD2 0.0017 -0.0081 0.0034 1209 PRO 84 HD3 0.0130 -0.0147 0.0043 1210 CYS 85 N -0.0042 0.0103 0.0094 1211 CYS 85 CA -0.0109 0.0193 0.0066 1212 CYS 85 C -0.0106 0.0265 0.0111 1213 CYS 85 O -0.0158 0.0302 0.0069 1214 CYS 85 CB -0.0124 0.0241 0.0076 1215 CYS 85 SG -0.0165 0.0176 -0.0011 1216 CYS 85 H -0.0014 0.0097 0.0124 1217 CYS 85 HA -0.0150 0.0175 0.0006 1218 CYS 85 HB2 -0.0077 0.0238 0.0129 1219 CYS 85 HB3 -0.0158 0.0310 0.0075 1220 HIS 86 N 0.0001 0.0189 0.0123 1221 HIS 86 CA 0.0003 0.0224 0.0112 1222 HIS 86 C 0.0016 0.0197 0.0141 1223 HIS 86 O 0.0033 0.0227 0.0152 1224 HIS 86 CB 0.0028 0.0286 0.0121 1225 HIS 86 CG 0.0020 0.0311 0.0100 1226 HIS 86 ND1 0.0040 0.0309 0.0128 1227 HIS 86 CD2 -0.0005 0.0337 0.0055 1228 HIS 86 CE1 0.0026 0.0333 0.0099 1229 HIS 86 NE2 -0.0001 0.0350 0.0055 1230 HIS 86 H 0.0018 0.0175 0.0153 1231 HIS 86 HA -0.0021 0.0227 0.0078 1232 HIS 86 HB2 0.0053 0.0286 0.0155 1233 HIS 86 HB3 0.0024 0.0310 0.0105 1234 HIS 86 HD2 -0.0022 0.0344 0.0028 1235 HIS 86 HE1 0.0035 0.0337 0.0109 1236 HIS 86 HE2 -0.0014 0.0366 0.0031 1237 GLU 87 N -0.0005 -0.0172 0.0285 1238 GLU 87 CA 0.0042 -0.0062 0.0230 1239 GLU 87 C 0.0298 -0.0063 0.0161 1240 GLU 87 O 0.0378 0.0095 0.0078 1241 GLU 87 CB -0.0078 0.0171 0.0170 1242 GLU 87 CG -0.0337 0.0182 0.0235 1243 GLU 87 CD -0.0457 0.0412 0.0177 1244 GLU 87 OE1 -0.0406 0.0519 0.0122 1245 GLU 87 OE2 -0.0603 0.0485 0.0188 1246 GLU 87 H -0.0072 -0.0290 0.0350 1247 GLU 87 HA -0.0019 -0.0144 0.0278 1248 GLU 87 HB2 -0.0017 0.0257 0.0120 1249 GLU 87 HB3 -0.0048 0.0235 0.0137 1250 GLU 87 HG2 -0.0399 0.0084 0.0290 1251 GLU 87 HG3 -0.0370 0.0137 0.0262 1252 GLY 88 N 0.0144 0.0007 -0.0010 1253 GLY 88 CA 0.0167 0.0003 -0.0024 1254 GLY 88 C 0.0204 0.0004 -0.0041 1255 GLY 88 O 0.0207 -0.0007 -0.0054 1256 GLY 88 H 0.0126 -0.0007 -0.0016 1257 GLY 88 HA2 0.0170 0.0018 -0.0010 1258 GLY 88 HA3 0.0155 -0.0014 -0.0038 1259 VAL 89 N 0.0210 -0.0075 -0.0080 1260 VAL 89 CA 0.0207 -0.0050 -0.0096 1261 VAL 89 C 0.0166 -0.0053 -0.0114 1262 VAL 89 O 0.0145 -0.0082 -0.0106 1263 VAL 89 CB 0.0227 -0.0059 -0.0082 1264 VAL 89 CG1 0.0225 -0.0031 -0.0100 1265 VAL 89 CG2 0.0268 -0.0060 -0.0062 1266 VAL 89 H 0.0194 -0.0095 -0.0074 1267 VAL 89 HA 0.0219 -0.0027 -0.0105 1268 VAL 89 HB 0.0214 -0.0082 -0.0074 1269 VAL 89 HG11 0.0241 -0.0035 -0.0090 1270 VAL 89 HG12 0.0200 -0.0034 -0.0110 1271 VAL 89 HG13 0.0234 -0.0008 -0.0110 1272 VAL 89 HG21 0.0279 -0.0065 -0.0053 1273 VAL 89 HG22 0.0281 -0.0038 -0.0070 1274 VAL 89 HG23 0.0268 -0.0079 -0.0050 1275 PHE 90 N 0.0086 -0.0045 -0.0098 1276 PHE 90 CA 0.0071 -0.0043 -0.0104 1277 PHE 90 C 0.0089 -0.0039 -0.0114 1278 PHE 90 O 0.0108 -0.0034 -0.0127 1279 PHE 90 CB 0.0049 -0.0037 -0.0123 1280 PHE 90 CG 0.0033 -0.0039 -0.0118 1281 PHE 90 CD1 0.0041 -0.0037 -0.0125 1282 PHE 90 CD2 0.0009 -0.0045 -0.0106 1283 PHE 90 CE1 0.0027 -0.0039 -0.0120 1284 PHE 90 CE2 -0.0005 -0.0047 -0.0100 1285 PHE 90 CZ 0.0004 -0.0044 -0.0107 1286 PHE 90 H 0.0096 -0.0040 -0.0110 1287 PHE 90 HA 0.0063 -0.0049 -0.0089 1288 PHE 90 HB2 0.0057 -0.0031 -0.0139 1289 PHE 90 HB3 0.0037 -0.0037 -0.0124 1290 PHE 90 HD1 0.0057 -0.0033 -0.0134 1291 PHE 90 HD2 0.0003 -0.0046 -0.0101 1292 PHE 90 HE1 0.0033 -0.0037 -0.0124 1293 PHE 90 HE2 -0.0021 -0.0050 -0.0092 1294 PHE 90 HZ -0.0006 -0.0046 -0.0103 1295 ASP 91 N 0.0055 -0.0044 -0.0146 1296 ASP 91 CA 0.0033 -0.0046 -0.0132 1297 ASP 91 C 0.0045 -0.0057 -0.0095 1298 ASP 91 O 0.0071 -0.0063 -0.0081 1299 ASP 91 CB 0.0030 -0.0039 -0.0159 1300 ASP 91 CG 0.0065 -0.0040 -0.0162 1301 ASP 91 OD1 0.0089 -0.0048 -0.0139 1302 ASP 91 OD2 0.0067 -0.0033 -0.0188 1303 ASP 91 H 0.0071 -0.0040 -0.0162 1304 ASP 91 HA 0.0007 -0.0046 -0.0129 1305 ASP 91 HB2 0.0010 -0.0040 -0.0152 1306 ASP 91 HB3 0.0025 -0.0032 -0.0182 1307 VAL 92 N -0.0066 -0.0005 -0.0083 1308 VAL 92 CA -0.0067 0.0017 -0.0028 1309 VAL 92 C -0.0040 0.0014 -0.0025 1310 VAL 92 O -0.0028 0.0030 0.0020 1311 VAL 92 CB -0.0128 0.0033 -0.0009 1312 VAL 92 CG1 -0.0166 0.0028 -0.0036 1313 VAL 92 CG2 -0.0130 0.0058 0.0053 1314 VAL 92 H -0.0100 -0.0006 -0.0099 1315 VAL 92 HA -0.0043 0.0023 -0.0003 1316 VAL 92 HB -0.0144 0.0032 -0.0019 1317 VAL 92 HG11 -0.0206 0.0037 -0.0029 1318 VAL 92 HG12 -0.0161 0.0012 -0.0075 1319 VAL 92 HG13 -0.0154 0.0032 -0.0021 1320 VAL 92 HG21 -0.0170 0.0068 0.0063 1321 VAL 92 HG22 -0.0114 0.0060 0.0064 1322 VAL 92 HG23 -0.0107 0.0061 0.0070 1323 ASN 93 N -0.0012 0.0077 -0.0062 1324 ASN 93 CA 0.0049 0.0022 -0.0104 1325 ASN 93 C 0.0123 -0.0043 -0.0090 1326 ASN 93 O 0.0176 -0.0093 -0.0132 1327 ASN 93 CB 0.0033 0.0032 -0.0213 1328 ASN 93 CG -0.0033 0.0090 -0.0233 1329 ASN 93 OD1 -0.0045 0.0102 -0.0180 1330 ASN 93 ND2 -0.0078 0.0127 -0.0306 1331 ASN 93 H -0.0030 0.0092 -0.0102 1332 ASN 93 HA 0.0052 0.0020 -0.0072 1333 ASN 93 HB2 0.0024 0.0039 -0.0244 1334 ASN 93 HB3 0.0075 -0.0006 -0.0242 1335 ASN 93 HD21 -0.0069 0.0117 -0.0341 1336 ASN 93 HD22 -0.0116 0.0160 -0.0320 1337 GLY 94 N 0.0021 -0.0025 -0.0075 1338 GLY 94 CA 0.0021 -0.0039 -0.0067 1339 GLY 94 C 0.0021 -0.0035 -0.0071 1340 GLY 94 O 0.0021 -0.0046 -0.0064 1341 GLY 94 H 0.0015 -0.0017 -0.0069 1342 GLY 94 HA2 0.0015 -0.0040 -0.0055 1343 GLY 94 HA3 0.0026 -0.0051 -0.0071 1344 LYS 95 N 0.0042 -0.0090 -0.0350 1345 LYS 95 CA -0.0001 -0.0026 -0.0195 1346 LYS 95 C -0.0032 -0.0002 -0.0138 1347 LYS 95 O 0.0061 -0.0018 -0.0166 1348 LYS 95 CB 0.0129 0.0003 -0.0103 1349 LYS 95 CG 0.0088 0.0069 0.0057 1350 LYS 95 CD 0.0235 0.0099 0.0155 1351 LYS 95 CE 0.0196 0.0166 0.0319 1352 LYS 95 NZ 0.0030 0.0188 0.0351 1353 LYS 95 H 0.0142 -0.0101 -0.0364 1354 LYS 95 HA -0.0097 -0.0017 -0.0186 1355 LYS 95 HB2 0.0149 -0.0015 -0.0144 1356 LYS 95 HB3 0.0223 -0.0004 -0.0107 1357 LYS 95 HG2 0.0037 0.0085 0.0092 1358 LYS 95 HG3 0.0018 0.0076 0.0067 1359 LYS 95 HD2 0.0279 0.0087 0.0132 1360 LYS 95 HD3 0.0312 0.0088 0.0138 1361 LYS 95 HE2 0.0211 0.0181 0.0359 1362 LYS 95 HE3 0.0266 0.0182 0.0370 1363 LYS 95 HZ1 0.0013 0.0176 0.0318 1364 LYS 95 HZ2 0.0015 0.0227 0.0447 1365 LYS 95 HZ3 -0.0038 0.0175 0.0307 1366 THR 96 N -0.0069 -0.0010 -0.0148 1367 THR 96 CA -0.0046 -0.0017 -0.0118 1368 THR 96 C 0.0001 -0.0031 -0.0062 1369 THR 96 O -0.0015 -0.0038 -0.0017 1370 THR 96 CB -0.0105 -0.0020 -0.0087 1371 THR 96 OG1 -0.0159 -0.0008 -0.0132 1372 THR 96 CG2 -0.0082 -0.0024 -0.0073 1373 THR 96 H -0.0110 -0.0009 -0.0141 1374 THR 96 HA -0.0025 -0.0012 -0.0152 1375 THR 96 HB -0.0120 -0.0027 -0.0046 1376 THR 96 HG1 -0.0191 -0.0010 -0.0115 1377 THR 96 HG21 -0.0120 -0.0022 -0.0074 1378 THR 96 HG22 -0.0061 -0.0033 -0.0031 1379 THR 96 HG23 -0.0050 -0.0019 -0.0107 1380 ILE 97 N 0.0094 -0.0101 -0.0209 1381 ILE 97 CA 0.0093 -0.0105 -0.0209 1382 ILE 97 C 0.0119 -0.0119 -0.0185 1383 ILE 97 O 0.0120 -0.0130 -0.0184 1384 ILE 97 CB 0.0084 -0.0069 -0.0218 1385 ILE 97 CG1 0.0104 -0.0037 -0.0200 1386 ILE 97 CG2 0.0056 -0.0058 -0.0244 1387 ILE 97 CD1 0.0097 -0.0001 -0.0207 1388 ILE 97 H 0.0106 -0.0086 -0.0198 1389 ILE 97 HA 0.0079 -0.0123 -0.0222 1390 ILE 97 HB 0.0084 -0.0074 -0.0219 1391 ILE 97 HG12 0.0105 -0.0031 -0.0200 1392 ILE 97 HG13 0.0122 -0.0045 -0.0183 1393 ILE 97 HG21 0.0049 -0.0038 -0.0251 1394 ILE 97 HG22 0.0044 -0.0080 -0.0255 1395 ILE 97 HG23 0.0057 -0.0050 -0.0243 1396 ILE 97 HD11 0.0112 0.0017 -0.0193 1397 ILE 97 HD12 0.0094 -0.0007 -0.0210 1398 ILE 97 HD13 0.0080 0.0009 -0.0223 1399 SER 98 N 0.0147 -0.0138 0.0110 1400 SER 98 C 0.0119 -0.0198 0.0222 1401 SER 98 O 0.0070 -0.0157 0.0086 1402 SER 98 CA 0.0195 -0.0181 0.0251 1403 SER 98 CB 0.0380 -0.0132 0.0298 1404 SER 98 OG 0.0456 -0.0057 0.0194 1405 SER 98 H 0.0110 -0.0116 0.0025 1406 SER 98 HA 0.0152 -0.0237 0.0341 1407 SER 98 HB2 0.0404 -0.0169 0.0405 1408 SER 98 HB3 0.0424 -0.0114 0.0296 1409 SER 98 HG 0.0425 -0.0071 0.0199 1410 SER 98 CA 0.0203 -0.0177 0.0247 1411 SER 98 CB 0.0388 -0.0115 0.0268 1412 SER 98 OG 0.0448 -0.0159 0.0419 1413 SER 98 H 0.0105 -0.0118 0.0027 1414 SER 98 HA 0.0173 -0.0230 0.0344 1415 SER 98 HB2 0.0438 -0.0092 0.0258 1416 SER 98 HB3 0.0417 -0.0069 0.0186 1417 SER 98 HG 0.0390 -0.0190 0.0440 1418 GLY 99 N 0.0146 -0.0025 0.0142 1419 GLY 99 CA 0.0107 -0.0008 0.0112 1420 GLY 99 C 0.0010 -0.0007 0.0131 1421 GLY 99 O -0.0031 -0.0020 0.0172 1422 GLY 99 H 0.0164 -0.0048 0.0190 1423 GLY 99 HA2 0.0137 -0.0021 0.0135 1424 GLY 99 HA3 0.0116 0.0017 0.0053 1425 PRO 100 N 0.0031 0.0076 0.0062 1426 PRO 100 CA -0.0055 0.0031 0.0084 1427 PRO 100 C -0.0152 0.0065 0.0026 1428 PRO 100 O -0.0224 0.0031 0.0040 1429 PRO 100 CB -0.0007 0.0026 0.0101 1430 PRO 100 CG 0.0065 0.0099 0.0049 1431 PRO 100 CD 0.0112 0.0115 0.0046 1432 PRO 100 HA -0.0072 -0.0020 0.0128 1433 PRO 100 HB2 -0.0061 0.0020 0.0092 1434 PRO 100 HB3 0.0029 -0.0017 0.0152 1435 PRO 100 HG2 0.0027 0.0139 0.0000 1436 PRO 100 HG3 0.0117 0.0094 0.0067 1437 PRO 100 HD2 0.0127 0.0170 -0.0003 1438 PRO 100 HD3 0.0175 0.0093 0.0083 1439 ALA 101 N -0.0142 0.0019 -0.0052 1440 ALA 101 CA -0.0187 0.0026 -0.0089 1441 ALA 101 C -0.0229 0.0006 -0.0069 1442 ALA 101 O -0.0215 -0.0001 -0.0047 1443 ALA 101 CB -0.0170 0.0054 -0.0136 1444 ALA 101 H -0.0112 0.0030 -0.0060 1445 ALA 101 HA -0.0203 0.0026 -0.0096 1446 ALA 101 HB1 -0.0202 0.0059 -0.0160 1447 ALA 101 HB2 -0.0144 0.0067 -0.0149 1448 ALA 101 HB3 -0.0154 0.0055 -0.0129 1449 PRO 102 N -0.0277 -0.0067 -0.0211 1450 PRO 102 CA -0.0351 -0.0118 -0.0205 1451 PRO 102 C -0.0426 -0.0083 -0.0230 1452 PRO 102 O -0.0492 -0.0121 -0.0227 1453 PRO 102 CB -0.0362 -0.0130 -0.0202 1454 PRO 102 CG -0.0329 -0.0054 -0.0224 1455 PRO 102 CD -0.0255 -0.0032 -0.0220 1456 PRO 102 HA -0.0343 -0.0167 -0.0186 1457 PRO 102 HB2 -0.0419 -0.0140 -0.0208 1458 PRO 102 HB3 -0.0330 -0.0173 -0.0182 1459 PRO 102 HG2 -0.0369 -0.0015 -0.0245 1460 PRO 102 HG3 -0.0314 -0.0060 -0.0220 1461 PRO 102 HD2 -0.0247 0.0023 -0.0238 1462 PRO 102 HD3 -0.0207 -0.0054 -0.0204 1463 ARG 103 N -0.0256 0.0026 -0.0198 1464 ARG 103 CA -0.0246 0.0012 -0.0159 1465 ARG 103 C -0.0289 -0.0018 -0.0130 1466 ARG 103 O -0.0320 -0.0026 -0.0137 1467 ARG 103 CB -0.0196 0.0016 -0.0128 1468 ARG 103 CG -0.0190 0.0011 -0.0111 1469 ARG 103 CD -0.0155 0.0002 -0.0064 1470 ARG 103 NE -0.0176 -0.0024 -0.0025 1471 ARG 103 CZ -0.0150 -0.0033 0.0016 1472 ARG 103 NH1 -0.0101 -0.0019 0.0025 1473 ARG 103 NH2 -0.0174 -0.0057 0.0048 1474 ARG 103 H -0.0278 0.0015 -0.0193 1475 ARG 103 HA -0.0245 0.0018 -0.0172 1476 ARG 103 HB2 -0.0194 0.0004 -0.0099 1477 ARG 103 HB3 -0.0170 0.0034 -0.0146 1478 ARG 103 HG2 -0.0176 0.0027 -0.0135 1479 ARG 103 HG3 -0.0222 -0.0004 -0.0106 1480 ARG 103 HD2 -0.0124 0.0016 -0.0068 1481 ARG 103 HD3 -0.0148 0.0001 -0.0056 1482 ARG 103 HE -0.0208 -0.0034 -0.0029 1483 ARG 103 HH11 -0.0086 -0.0004 0.0005 1484 ARG 103 HH12 -0.0085 -0.0025 0.0052 1485 ARG 103 HH21 -0.0206 -0.0066 0.0043 1486 ARG 103 HH22 -0.0157 -0.0063 0.0075 1487 GLY 104 N -0.0187 -0.0068 -0.0109 1488 GLY 104 CA -0.0184 -0.0024 -0.0106 1489 GLY 104 C -0.0170 0.0020 -0.0101 1490 GLY 104 O -0.0160 0.0017 -0.0099 1491 GLY 104 H -0.0215 -0.0075 -0.0116 1492 GLY 104 HA2 -0.0160 -0.0028 -0.0101 1493 GLY 104 HA3 -0.0214 -0.0017 -0.0113 1494 MET 105 N -0.0024 -0.0051 0.0003 1495 MET 105 CA -0.0019 -0.0036 0.0003 1496 MET 105 C -0.0026 -0.0024 0.0010 1497 MET 105 O -0.0037 -0.0027 0.0016 1498 MET 105 CB -0.0020 -0.0036 0.0004 1499 MET 105 CG -0.0010 -0.0045 -0.0004 1500 MET 105 SD -0.0013 -0.0050 -0.0004 1501 MET 105 CE -0.0012 -0.0032 -0.0001 1502 MET 105 H -0.0027 -0.0057 0.0004 1503 MET 105 HA -0.0010 -0.0034 -0.0002 1504 MET 105 HB2 -0.0029 -0.0041 0.0008 1505 MET 105 HB3 -0.0019 -0.0026 0.0005 1506 MET 105 HG2 -0.0002 -0.0040 -0.0009 1507 MET 105 HG3 -0.0010 -0.0055 -0.0006 1508 MET 105 HE1 -0.0013 -0.0033 -0.0000 1509 MET 105 HE2 -0.0019 -0.0027 0.0005 1510 MET 105 HE3 -0.0003 -0.0027 -0.0005 1511 TYR 106 N -0.0037 -0.0011 0.0119 1512 TYR 106 CA -0.0020 0.0005 0.0143 1513 TYR 106 C -0.0020 -0.0017 0.0172 1514 TYR 106 O -0.0032 -0.0040 0.0169 1515 TYR 106 CB -0.0017 0.0022 0.0130 1516 TYR 106 CG -0.0017 0.0044 0.0101 1517 TYR 106 CD1 -0.0004 0.0071 0.0103 1518 TYR 106 CD2 -0.0030 0.0039 0.0072 1519 TYR 106 CE1 -0.0003 0.0092 0.0077 1520 TYR 106 CE2 -0.0030 0.0061 0.0046 1521 TYR 106 CZ -0.0017 0.0087 0.0048 1522 TYR 106 OH -0.0017 0.0108 0.0022 1523 TYR 106 H -0.0043 -0.0013 0.0104 1524 TYR 106 HA -0.0011 0.0020 0.0149 1525 TYR 106 HB2 -0.0026 0.0007 0.0125 1526 TYR 106 HB3 -0.0006 0.0032 0.0146 1527 TYR 106 HD1 0.0005 0.0075 0.0122 1528 TYR 106 HD2 -0.0039 0.0022 0.0071 1529 TYR 106 HE1 0.0006 0.0110 0.0079 1530 TYR 106 HE2 -0.0039 0.0057 0.0027 1531 TYR 106 HH -0.0014 0.0114 0.0021 1532 SER 107 N 0.0000 -0.0002 0.0173 1533 SER 107 CA -0.0015 0.0016 0.0169 1534 SER 107 C -0.0017 0.0018 0.0168 1535 SER 107 O -0.0018 0.0003 0.0159 1536 SER 107 CB -0.0031 0.0014 0.0153 1537 SER 107 OG -0.0035 -0.0004 0.0141 1538 SER 107 H -0.0001 -0.0014 0.0166 1539 SER 107 HA -0.0012 0.0028 0.0177 1540 SER 107 HB2 -0.0040 0.0026 0.0151 1541 SER 107 HB3 -0.0029 0.0012 0.0154 1542 SER 107 HG -0.0038 -0.0002 0.0139 1543 SER 107 N 0.0000 -0.0002 0.0173 1544 SER 107 CA -0.0015 0.0014 0.0167 1545 SER 107 C -0.0015 0.0017 0.0169 1546 SER 107 O -0.0012 0.0002 0.0164 1547 SER 107 CB -0.0031 0.0009 0.0150 1548 SER 107 OG -0.0047 0.0025 0.0145 1549 SER 107 H -0.0000 -0.0014 0.0166 1550 SER 107 HA -0.0015 0.0027 0.0174 1551 SER 107 HB2 -0.0031 0.0006 0.0149 1552 SER 107 HB3 -0.0032 -0.0003 0.0144 1553 SER 107 HG -0.0048 0.0027 0.0145 1554 TYR 108 N 0.0007 -0.0006 0.0157 1555 TYR 108 CA -0.0009 -0.0002 0.0135 1556 TYR 108 C -0.0011 0.0001 0.0125 1557 TYR 108 O 0.0007 0.0005 0.0123 1558 TYR 108 CB 0.0002 0.0006 0.0116 1559 TYR 108 CG -0.0001 0.0004 0.0120 1560 TYR 108 CD1 0.0012 0.0001 0.0138 1561 TYR 108 CD2 -0.0015 0.0006 0.0104 1562 TYR 108 CE1 0.0010 -0.0000 0.0142 1563 TYR 108 CE2 -0.0018 0.0005 0.0108 1564 TYR 108 CZ -0.0005 0.0001 0.0126 1565 TYR 108 OH -0.0008 -0.0000 0.0129 1566 TYR 108 H 0.0023 -0.0001 0.0154 1567 TYR 108 HA -0.0024 -0.0007 0.0140 1568 TYR 108 HB2 0.0019 0.0010 0.0116 1569 TYR 108 HB3 -0.0006 0.0009 0.0101 1570 TYR 108 HD1 0.0023 0.0000 0.0149 1571 TYR 108 HD2 -0.0023 0.0009 0.0092 1572 TYR 108 HE1 0.0018 -0.0002 0.0154 1573 TYR 108 HE2 -0.0028 0.0006 0.0097 1574 TYR 108 HH -0.0009 0.0004 0.0116 1575 ARG 109 N -0.0057 0.0161 0.0100 1576 ARG 109 CA 0.0033 0.0127 0.0055 1577 ARG 109 C 0.0028 0.0061 0.0048 1578 ARG 109 O -0.0031 -0.0005 0.0066 1579 ARG 109 CB 0.0061 0.0072 0.0034 1580 ARG 109 CG 0.0150 0.0029 -0.0013 1581 ARG 109 CD 0.0173 -0.0020 -0.0030 1582 ARG 109 NE 0.0262 -0.0056 -0.0076 1583 ARG 109 CZ 0.0283 -0.0143 -0.0097 1584 ARG 109 NH1 0.0222 -0.0205 -0.0078 1585 ARG 109 NH2 0.0367 -0.0169 -0.0140 1586 ARG 109 H -0.0079 0.0144 0.0108 1587 ARG 109 HA 0.0077 0.0180 0.0041 1588 ARG 109 HB2 0.0065 0.0118 0.0039 1589 ARG 109 HB3 0.0017 0.0020 0.0047 1590 ARG 109 HG2 0.0148 -0.0019 -0.0018 1591 ARG 109 HG3 0.0196 0.0080 -0.0027 1592 ARG 109 HD2 0.0171 0.0027 -0.0023 1593 ARG 109 HD3 0.0130 -0.0075 -0.0018 1594 ARG 109 HE 0.0305 -0.0018 -0.0090 1595 ARG 109 HH11 0.0167 -0.0189 -0.0050 1596 ARG 109 HH12 0.0237 -0.0262 -0.0092 1597 ARG 109 HH21 0.0408 -0.0129 -0.0153 1598 ARG 109 HH22 0.0382 -0.0225 -0.0154 1599 THR 110 N 0.0025 0.0005 0.0060 1600 THR 110 CA 0.0028 -0.0014 0.0054 1601 THR 110 C 0.0057 -0.0024 0.0044 1602 THR 110 O 0.0078 -0.0009 0.0044 1603 THR 110 CB 0.0023 0.0001 0.0060 1604 THR 110 OG1 -0.0003 0.0013 0.0070 1605 THR 110 CG2 0.0023 -0.0018 0.0054 1606 THR 110 H 0.0040 0.0017 0.0061 1607 THR 110 HA 0.0015 -0.0030 0.0052 1608 THR 110 HB 0.0038 0.0015 0.0061 1609 THR 110 HG1 -0.0006 0.0022 0.0074 1610 THR 110 HG21 0.0016 -0.0009 0.0058 1611 THR 110 HG22 0.0042 -0.0024 0.0048 1612 THR 110 HG23 0.0010 -0.0034 0.0052 1613 THR 110 N 0.0025 0.0005 0.0061 1614 THR 110 CA 0.0028 -0.0013 0.0054 1615 THR 110 C 0.0057 -0.0024 0.0044 1616 THR 110 O 0.0078 -0.0009 0.0043 1617 THR 110 CB 0.0023 0.0002 0.0060 1618 THR 110 OG1 0.0044 0.0024 0.0062 1619 THR 110 CG2 -0.0005 0.0013 0.0070 1620 THR 110 H 0.0039 0.0017 0.0061 1621 THR 110 HA 0.0015 -0.0029 0.0052 1622 THR 110 HB 0.0025 -0.0011 0.0056 1623 THR 110 HG1 0.0041 0.0033 0.0066 1624 THR 110 HG21 -0.0004 0.0032 0.0076 1625 THR 110 HG22 -0.0017 0.0002 0.0070 1626 THR 110 HG23 -0.0013 0.0012 0.0072 1627 LYS 111 N 0.0052 -0.0050 -0.0009 1628 LYS 111 CA 0.0065 -0.0067 0.0014 1629 LYS 111 C 0.0046 -0.0096 0.0023 1630 LYS 111 O 0.0027 -0.0103 0.0015 1631 LYS 111 CB 0.0094 -0.0064 0.0032 1632 LYS 111 CG 0.0093 -0.0075 0.0040 1633 LYS 111 CD 0.0122 -0.0071 0.0057 1634 LYS 111 CE 0.0122 -0.0081 0.0065 1635 LYS 111 NZ 0.0149 -0.0080 0.0084 1636 LYS 111 H 0.0043 -0.0057 -0.0010 1637 LYS 111 HA 0.0068 -0.0061 0.0012 1638 LYS 111 HB2 0.0103 -0.0073 0.0045 1639 LYS 111 HB3 0.0105 -0.0045 0.0025 1640 LYS 111 HG2 0.0085 -0.0065 0.0026 1641 LYS 111 HG3 0.0082 -0.0094 0.0046 1642 LYS 111 HD2 0.0130 -0.0082 0.0071 1643 LYS 111 HD3 0.0134 -0.0052 0.0051 1644 LYS 111 HE2 0.0115 -0.0070 0.0052 1645 LYS 111 HE3 0.0109 -0.0100 0.0071 1646 LYS 111 HZ1 0.0163 -0.0065 0.0081 1647 LYS 111 HZ2 0.0150 -0.0080 0.0084 1648 LYS 111 HZ3 0.0153 -0.0094 0.0097 1649 VAL 112 N 0.0002 -0.0120 -0.0007 1650 VAL 112 CA 0.0002 -0.0138 -0.0010 1651 VAL 112 C 0.0015 -0.0153 -0.0014 1652 VAL 112 O 0.0033 -0.0149 -0.0013 1653 VAL 112 CB 0.0009 -0.0134 -0.0010 1654 VAL 112 CG1 0.0008 -0.0152 -0.0013 1655 VAL 112 CG2 -0.0004 -0.0117 -0.0006 1656 VAL 112 H 0.0014 -0.0115 -0.0006 1657 VAL 112 HA -0.0012 -0.0143 -0.0011 1658 VAL 112 HB 0.0022 -0.0129 -0.0009 1659 VAL 112 HG11 0.0012 -0.0149 -0.0013 1660 VAL 112 HG12 0.0016 -0.0162 -0.0015 1661 VAL 112 HG13 -0.0006 -0.0157 -0.0014 1662 VAL 112 HG21 0.0000 -0.0115 -0.0006 1663 VAL 112 HG22 -0.0018 -0.0121 -0.0007 1664 VAL 112 HG23 -0.0002 -0.0105 -0.0004 1665 GLU 113 N 0.0038 -0.0275 0.0061 1666 GLU 113 CA -0.0026 -0.0153 0.0139 1667 GLU 113 C 0.0015 -0.0175 0.0054 1668 GLU 113 O 0.0074 -0.0144 -0.0107 1669 GLU 113 CB -0.0067 0.0049 0.0110 1670 GLU 113 CG -0.0125 0.0178 0.0171 1671 GLU 113 CD -0.0162 0.0378 0.0135 1672 GLU 113 OE1 -0.0195 0.0427 0.0183 1673 GLU 113 OE2 -0.0157 0.0485 0.0058 1674 GLU 113 H 0.0082 -0.0264 -0.0052 1675 GLU 113 HA -0.0069 -0.0189 0.0263 1676 GLU 113 HB2 -0.0099 0.0066 0.0177 1677 GLU 113 HB3 -0.0024 0.0082 -0.0013 1678 GLU 113 HG2 -0.0094 0.0157 0.0109 1679 GLU 113 HG3 -0.0170 0.0152 0.0296 1680 ASN 114 N 0.0107 -0.0211 0.0218 1681 ASN 114 CA 0.0187 -0.0435 0.0033 1682 ASN 114 C 0.0259 -0.0663 -0.0258 1683 ASN 114 O 0.0254 -0.0715 -0.0563 1684 ASN 114 CB 0.0087 -0.0237 -0.0116 1685 ASN 114 CG 0.0021 -0.0022 0.0181 1686 ASN 114 OD1 0.0089 -0.0111 0.0503 1687 ASN 114 ND2 -0.0110 0.0258 0.0074 1688 ASN 114 H 0.0130 -0.0215 0.0454 1689 ASN 114 HA 0.0268 -0.0585 0.0212 1690 ASN 114 HB2 0.0005 -0.0087 -0.0301 1691 ASN 114 HB3 0.0145 -0.0393 -0.0222 1692 ASN 114 HD21 -0.0153 0.0389 0.0232 1693 ASN 114 HD22 -0.0153 0.0310 -0.0153 1694 ASN 115 N -0.0114 -0.0088 -0.0086 1695 ASN 115 CA -0.0109 -0.0087 -0.0083 1696 ASN 115 C 0.0070 -0.0122 -0.0058 1697 ASN 115 O 0.0090 -0.0111 -0.0041 1698 ASN 115 CB -0.0201 0.0044 0.0014 1699 ASN 115 CG -0.0266 0.0032 -0.0019 1700 ASN 115 OD1 -0.0323 -0.0062 -0.0128 1701 ASN 115 ND2 -0.0254 0.0126 0.0076 1702 ASN 115 H -0.0151 -0.0153 -0.0161 1703 ASN 115 HA -0.0168 -0.0153 -0.0166 1704 ASN 115 HB2 -0.0299 0.0080 0.0017 1705 ASN 115 HB3 -0.0122 0.0102 0.0096 1706 ASN 115 HD21 -0.0211 0.0190 0.0152 1707 ASN 115 HD22 -0.0289 0.0124 0.0063 1708 ASN 115 N -0.0115 -0.0088 -0.0086 1709 ASN 115 CA -0.0109 -0.0088 -0.0084 1710 ASN 115 C 0.0070 -0.0124 -0.0061 1711 ASN 115 O 0.0090 -0.0116 -0.0047 1712 ASN 115 CB -0.0203 0.0041 0.0010 1713 ASN 115 CG -0.0394 0.0068 -0.0025 1714 ASN 115 OD1 -0.0470 -0.0021 -0.0136 1715 ASN 115 ND2 -0.0472 0.0191 0.0068 1716 ASN 115 H -0.0153 -0.0153 -0.0161 1717 ASN 115 HA -0.0168 -0.0155 -0.0168 1718 ASN 115 HB2 -0.0158 0.0111 0.0092 1719 ASN 115 HB3 -0.0184 0.0039 0.0014 1720 ASN 115 HD21 -0.0414 0.0251 0.0145 1721 ASN 115 HD22 -0.0581 0.0212 0.0053 1722 THR 116 N 0.0022 -0.0174 -0.0067 1723 THR 116 CA 0.0021 -0.0173 -0.0069 1724 THR 116 C 0.0015 -0.0178 -0.0052 1725 THR 116 O 0.0003 -0.0177 -0.0043 1726 THR 116 CB 0.0009 -0.0164 -0.0081 1727 THR 116 OG1 0.0016 -0.0160 -0.0097 1728 THR 116 CG2 0.0005 -0.0162 -0.0082 1729 THR 116 H 0.0013 -0.0171 -0.0066 1730 THR 116 HA 0.0032 -0.0175 -0.0073 1731 THR 116 HB -0.0002 -0.0161 -0.0078 1732 THR 116 HG1 0.0009 -0.0155 -0.0104 1733 THR 116 HG21 0.0000 -0.0156 -0.0092 1734 THR 116 HG22 -0.0002 -0.0163 -0.0072 1735 THR 116 HG23 0.0016 -0.0166 -0.0082 1736 VAL 117 N 0.0011 -0.0151 -0.0013 1737 VAL 117 CA 0.0005 -0.0132 -0.0004 1738 VAL 117 C -0.0011 -0.0133 -0.0005 1739 VAL 117 O -0.0028 -0.0142 -0.0010 1740 VAL 117 CB -0.0003 -0.0121 0.0001 1741 VAL 117 CG1 -0.0010 -0.0101 0.0010 1742 VAL 117 CG2 0.0013 -0.0121 0.0001 1743 VAL 117 H 0.0005 -0.0156 -0.0016 1744 VAL 117 HA 0.0018 -0.0125 -0.0001 1745 VAL 117 HB -0.0016 -0.0127 -0.0003 1746 VAL 117 HG11 -0.0013 -0.0094 0.0013 1747 VAL 117 HG12 -0.0022 -0.0101 0.0010 1748 VAL 117 HG13 0.0002 -0.0095 0.0013 1749 VAL 117 HG21 0.0008 -0.0113 0.0005 1750 VAL 117 HG22 0.0026 -0.0115 0.0004 1751 VAL 117 HG23 0.0016 -0.0134 -0.0005 1752 PHE 118 N 0.0036 -0.0086 -0.0020 1753 PHE 118 CA 0.0015 -0.0062 -0.0025 1754 PHE 118 C 0.0009 -0.0046 -0.0010 1755 PHE 118 O 0.0018 -0.0046 0.0014 1756 PHE 118 CB 0.0011 -0.0050 -0.0013 1757 PHE 118 CG 0.0013 -0.0060 -0.0030 1758 PHE 118 CD1 -0.0002 -0.0051 -0.0053 1759 PHE 118 CD2 0.0029 -0.0079 -0.0023 1760 PHE 118 CE1 -0.0001 -0.0061 -0.0068 1761 PHE 118 CE2 0.0031 -0.0089 -0.0038 1762 PHE 118 CZ 0.0016 -0.0080 -0.0061 1763 PHE 118 H 0.0042 -0.0086 -0.0002 1764 PHE 118 HA 0.0008 -0.0062 -0.0045 1765 PHE 118 HB2 0.0019 -0.0052 0.0006 1766 PHE 118 HB3 -0.0002 -0.0033 -0.0013 1767 PHE 118 HD1 -0.0014 -0.0039 -0.0059 1768 PHE 118 HD2 0.0040 -0.0085 -0.0007 1769 PHE 118 HE1 -0.0011 -0.0054 -0.0084 1770 PHE 118 HE2 0.0042 -0.0102 -0.0033 1771 PHE 118 HZ 0.0017 -0.0086 -0.0072 1772 VAL 119 N -0.0041 -0.0019 0.0000 1773 VAL 119 CA -0.0051 -0.0002 0.0017 1774 VAL 119 C -0.0073 0.0013 0.0016 1775 VAL 119 O -0.0087 0.0010 -0.0003 1776 VAL 119 CB -0.0055 -0.0002 0.0013 1777 VAL 119 CG1 -0.0033 -0.0015 0.0015 1778 VAL 119 CG2 -0.0071 -0.0006 -0.0011 1779 VAL 119 H -0.0049 -0.0022 -0.0014 1780 VAL 119 HA -0.0041 0.0000 0.0033 1781 VAL 119 HB -0.0063 0.0010 0.0024 1782 VAL 119 HG11 -0.0036 -0.0016 0.0011 1783 VAL 119 HG12 -0.0023 -0.0012 0.0032 1784 VAL 119 HG13 -0.0025 -0.0027 0.0005 1785 VAL 119 HG21 -0.0072 -0.0007 -0.0014 1786 VAL 119 HG22 -0.0065 -0.0017 -0.0023 1787 VAL 119 HG23 -0.0086 0.0004 -0.0012 1788 ASP 120 N -0.0024 0.0020 0.0010 1789 ASP 120 CA -0.0023 0.0009 0.0009 1790 ASP 120 C -0.0042 0.0021 0.0020 1791 ASP 120 O -0.0040 0.0042 0.0019 1792 ASP 120 CB -0.0000 0.0015 -0.0002 1793 ASP 120 CG 0.0001 0.0006 -0.0003 1794 ASP 120 OD1 -0.0016 -0.0007 0.0005 1795 ASP 120 OD2 0.0018 0.0012 -0.0012 1796 ASP 120 H -0.0018 0.0035 0.0008 1797 ASP 120 HA -0.0026 -0.0009 0.0010 1798 ASP 120 HB2 0.0011 0.0006 -0.0008 1799 ASP 120 HB3 0.0002 0.0033 -0.0003 1800 TYR 121 N -0.0066 0.0036 -0.0050 1801 TYR 121 CA -0.0056 0.0027 -0.0045 1802 TYR 121 C -0.0078 0.0025 -0.0032 1803 TYR 121 O -0.0072 0.0016 -0.0026 1804 TYR 121 CB -0.0039 0.0039 -0.0066 1805 TYR 121 CG -0.0056 0.0060 -0.0080 1806 TYR 121 CD1 -0.0061 0.0077 -0.0096 1807 TYR 121 CD2 -0.0066 0.0064 -0.0079 1808 TYR 121 CE1 -0.0076 0.0097 -0.0109 1809 TYR 121 CE2 -0.0081 0.0083 -0.0092 1810 TYR 121 CZ -0.0086 0.0099 -0.0107 1811 TYR 121 OH -0.0101 0.0119 -0.0120 1812 TYR 121 H -0.0066 0.0048 -0.0063 1813 TYR 121 HA -0.0043 0.0013 -0.0036 1814 TYR 121 HB2 -0.0030 0.0031 -0.0062 1815 TYR 121 HB3 -0.0025 0.0040 -0.0074 1816 TYR 121 HD1 -0.0054 0.0075 -0.0097 1817 TYR 121 HD2 -0.0062 0.0053 -0.0069 1818 TYR 121 HE1 -0.0079 0.0108 -0.0119 1819 TYR 121 HE2 -0.0088 0.0085 -0.0091 1820 TYR 121 HH -0.0107 0.0118 -0.0117 1821 ALA 122 N -0.0039 0.0051 0.0005 1822 ALA 122 CA -0.0056 0.0064 0.0018 1823 ALA 122 C -0.0031 0.0092 0.0040 1824 ALA 122 O -0.0041 0.0105 0.0053 1825 ALA 122 CB -0.0062 0.0040 -0.0002 1826 ALA 122 H -0.0021 0.0039 -0.0009 1827 ALA 122 HA -0.0082 0.0070 0.0027 1828 ALA 122 HB1 -0.0077 0.0048 0.0007 1829 ALA 122 HB2 -0.0076 0.0022 -0.0016 1830 ALA 122 HB3 -0.0036 0.0036 -0.0009 1831 ALA 123 N -0.0038 0.0002 0.0104 1832 ALA 123 CA -0.0017 0.0020 0.0121 1833 ALA 123 C 0.0000 0.0041 0.0144 1834 ALA 123 O 0.0033 0.0051 0.0139 1835 ALA 123 CB 0.0011 0.0016 0.0096 1836 ALA 123 H -0.0027 0.0002 0.0097 1837 ALA 123 HA -0.0033 0.0022 0.0133 1838 ALA 123 HB1 0.0016 0.0023 0.0105 1839 ALA 123 HB2 0.0003 0.0001 0.0076 1840 ALA 123 HB3 0.0032 0.0023 0.0093 1841 ILE 124 N 0.0038 -0.0035 0.0201 1842 ILE 124 CA 0.0049 -0.0039 0.0207 1843 ILE 124 C 0.0046 -0.0049 0.0216 1844 ILE 124 O 0.0038 -0.0054 0.0220 1845 ILE 124 CB 0.0059 -0.0038 0.0208 1846 ILE 124 CG1 0.0063 -0.0028 0.0198 1847 ILE 124 CG2 0.0070 -0.0043 0.0214 1848 ILE 124 CD1 0.0068 -0.0026 0.0197 1849 ILE 124 H 0.0036 -0.0036 0.0202 1850 ILE 124 HA 0.0053 -0.0037 0.0205 1851 ILE 124 HB 0.0055 -0.0041 0.0210 1852 ILE 124 HG12 0.0069 -0.0026 0.0198 1853 ILE 124 HG13 0.0055 -0.0025 0.0194 1854 ILE 124 HG21 0.0077 -0.0041 0.0214 1855 ILE 124 HG22 0.0067 -0.0049 0.0220 1856 ILE 124 HG23 0.0072 -0.0042 0.0214 1857 ILE 124 HD11 0.0070 -0.0019 0.0191 1858 ILE 124 HD12 0.0061 -0.0028 0.0198 1859 ILE 124 HD13 0.0075 -0.0029 0.0201 1860 THR 125 N 0.0156 -0.0102 0.0248 1861 THR 125 CA 0.0107 -0.0252 0.0028 1862 THR 125 C 0.0136 -0.0337 -0.0081 1863 THR 125 O 0.0061 -0.0277 -0.0019 1864 THR 125 CB -0.0161 -0.0239 -0.0027 1865 THR 125 OG1 -0.0184 -0.0181 0.0047 1866 THR 125 CG2 -0.0232 -0.0391 -0.0256 1867 THR 125 OXT 0.0236 -0.0473 -0.0240 1868 THR 125 H 0.0048 -0.0044 0.0298 1869 THR 125 HA 0.0222 -0.0309 -0.0019 1870 THR 125 HB -0.0273 -0.0171 0.0036 1871 THR 125 HG1 -0.0092 -0.0118 0.0158 1872 THR 125 HG21 -0.0369 -0.0391 -0.0293 1873 THR 125 HG22 -0.0282 -0.0413 -0.0300 1874 THR 125 HG23 -0.0092 -0.0470 -0.0326