1 ALA 8 N 0.0330 0.0108 0.0011 2 ALA 8 CA 0.0277 0.0071 -0.0025 3 ALA 8 C 0.0047 -0.0219 -0.0180 4 ALA 8 O 0.0036 -0.0314 -0.0188 5 ALA 8 CB 0.0200 0.0453 -0.0075 6 ALA 8 HA 0.0465 -0.0017 0.0100 7 ALA 8 HB1 0.0163 0.0420 -0.0100 8 ALA 8 HB2 0.0369 0.0614 0.0038 9 ALA 8 HB3 0.0023 0.0551 -0.0194 10 ASP 9 N -0.0218 -0.0150 -0.0220 11 ASP 9 CA -0.0226 -0.0152 -0.0201 12 ASP 9 C -0.0232 -0.0121 -0.0195 13 ASP 9 O -0.0241 -0.0107 -0.0177 14 ASP 9 CB -0.0234 -0.0169 -0.0174 15 ASP 9 CG -0.0239 -0.0178 -0.0159 16 ASP 9 OD1 -0.0234 -0.0181 -0.0172 17 ASP 9 OD2 -0.0249 -0.0181 -0.0133 18 ASP 9 H -0.0220 -0.0134 -0.0220 19 ASP 9 HA -0.0221 -0.0162 -0.0211 20 ASP 9 HB2 -0.0230 -0.0187 -0.0179 21 ASP 9 HB3 -0.0240 -0.0158 -0.0163 22 PHE 10 N -0.0181 -0.0143 -0.0103 23 PHE 10 CA -0.0160 -0.0121 -0.0102 24 PHE 10 C -0.0182 -0.0146 -0.0104 25 PHE 10 O -0.0191 -0.0187 -0.0124 26 PHE 10 CB -0.0109 -0.0120 -0.0130 27 PHE 10 CG -0.0079 -0.0082 -0.0124 28 PHE 10 CD1 -0.0068 -0.0038 -0.0104 29 PHE 10 CD2 -0.0060 -0.0089 -0.0140 30 PHE 10 CE1 -0.0040 -0.0003 -0.0099 31 PHE 10 CE2 -0.0031 -0.0054 -0.0135 32 PHE 10 CZ -0.0021 -0.0011 -0.0115 33 PHE 10 H -0.0168 -0.0161 -0.0122 34 PHE 10 HA -0.0163 -0.0090 -0.0081 35 PHE 10 HB2 -0.0106 -0.0148 -0.0149 36 PHE 10 HB3 -0.0098 -0.0117 -0.0135 37 PHE 10 HD1 -0.0080 -0.0033 -0.0094 38 PHE 10 HD2 -0.0066 -0.0118 -0.0154 39 PHE 10 HE1 -0.0033 0.0026 -0.0085 40 PHE 10 HE2 -0.0019 -0.0059 -0.0146 41 PHE 10 HZ -0.0002 0.0012 -0.0111 42 ILE 11 N -0.0207 -0.0040 -0.0085 43 ILE 11 CA -0.0207 -0.0035 -0.0071 44 ILE 11 C -0.0206 -0.0014 -0.0073 45 ILE 11 O -0.0205 -0.0003 -0.0074 46 ILE 11 CB -0.0209 -0.0038 -0.0051 47 ILE 11 CG1 -0.0211 -0.0058 -0.0048 48 ILE 11 CG2 -0.0210 -0.0030 -0.0037 49 ILE 11 CD1 -0.0212 -0.0071 -0.0049 50 ILE 11 H -0.0206 -0.0034 -0.0084 51 ILE 11 HA -0.0208 -0.0042 -0.0072 52 ILE 11 HB -0.0209 -0.0031 -0.0049 53 ILE 11 HG12 -0.0210 -0.0063 -0.0057 54 ILE 11 HG13 -0.0212 -0.0060 -0.0036 55 ILE 11 HG21 -0.0212 -0.0036 -0.0025 56 ILE 11 HG22 -0.0209 -0.0017 -0.0036 57 ILE 11 HG23 -0.0210 -0.0034 -0.0040 58 ILE 11 HD11 -0.0213 -0.0083 -0.0047 59 ILE 11 HD12 -0.0212 -0.0067 -0.0040 60 ILE 11 HD13 -0.0210 -0.0070 -0.0061 61 GLY 12 N -0.0199 0.0012 -0.0051 62 GLY 12 CA -0.0155 0.0025 -0.0059 63 GLY 12 C -0.0147 0.0035 -0.0036 64 GLY 12 O -0.0172 0.0026 -0.0037 65 GLY 12 H -0.0214 0.0001 -0.0072 66 GLY 12 HA2 -0.0137 0.0034 -0.0048 67 GLY 12 HA3 -0.0147 0.0018 -0.0089 68 ILE 13 N -0.0092 0.0098 -0.0012 69 ILE 13 CA -0.0070 0.0100 0.0006 70 ILE 13 C -0.0036 0.0113 -0.0004 71 ILE 13 O -0.0015 0.0116 0.0011 72 ILE 13 CB -0.0072 0.0092 0.0043 73 ILE 13 CG1 -0.0064 0.0093 0.0054 74 ILE 13 CG2 -0.0105 0.0080 0.0053 75 ILE 13 CD1 -0.0057 0.0087 0.0091 76 ILE 13 H -0.0087 0.0099 -0.0012 77 ILE 13 HA -0.0077 0.0100 -0.0000 78 ILE 13 HB -0.0057 0.0095 0.0054 79 ILE 13 HG12 -0.0081 0.0089 0.0047 80 ILE 13 HG13 -0.0044 0.0100 0.0044 81 ILE 13 HG21 -0.0106 0.0075 0.0077 82 ILE 13 HG22 -0.0110 0.0081 0.0046 83 ILE 13 HG23 -0.0121 0.0078 0.0043 84 ILE 13 HD11 -0.0050 0.0088 0.0096 85 ILE 13 HD12 -0.0041 0.0090 0.0098 86 ILE 13 HD13 -0.0077 0.0079 0.0101 87 GLY 14 N -0.0051 0.0110 -0.0013 88 GLY 14 CA 0.0011 0.0095 -0.0036 89 GLY 14 C 0.0032 0.0088 -0.0020 90 GLY 14 O 0.0000 0.0094 0.0013 91 GLY 14 H -0.0076 0.0117 -0.0017 92 GLY 14 HA2 0.0013 0.0098 -0.0082 93 GLY 14 HA3 0.0039 0.0086 -0.0017 94 LYS 15 N 0.0132 0.0080 -0.0005 95 LYS 15 CA 0.0103 0.0061 0.0033 96 LYS 15 C 0.0103 0.0004 0.0048 97 LYS 15 O 0.0132 -0.0027 0.0025 98 LYS 15 CB 0.0108 0.0063 0.0026 99 LYS 15 CG 0.0103 0.0118 0.0016 100 LYS 15 CD 0.0111 0.0117 0.0008 101 LYS 15 CE 0.0091 0.0080 0.0040 102 LYS 15 NZ 0.0100 0.0079 0.0031 103 LYS 15 H 0.0152 0.0077 -0.0026 104 LYS 15 HA 0.0080 0.0083 0.0052 105 LYS 15 HB2 0.0133 0.0046 0.0004 106 LYS 15 HB3 0.0091 0.0046 0.0050 107 LYS 15 HG2 0.0078 0.0136 0.0039 108 LYS 15 HG3 0.0119 0.0137 -0.0007 109 LYS 15 HD2 0.0104 0.0152 0.0006 110 LYS 15 HD3 0.0137 0.0104 -0.0017 111 LYS 15 HE2 0.0098 0.0045 0.0043 112 LYS 15 HE3 0.0065 0.0093 0.0066 113 LYS 15 HZ1 0.0124 0.0070 0.0007 114 LYS 15 HZ2 0.0089 0.0056 0.0049 115 LYS 15 HZ3 0.0092 0.0111 0.0031 116 LEU 16 N 0.0063 -0.0012 0.0072 117 LEU 16 CA 0.0056 -0.0030 0.0068 118 LEU 16 C 0.0047 -0.0059 0.0055 119 LEU 16 O 0.0044 -0.0072 0.0036 120 LEU 16 CB 0.0052 -0.0032 0.0098 121 LEU 16 CG 0.0044 -0.0051 0.0099 122 LEU 16 CD1 0.0051 -0.0038 0.0083 123 LEU 16 CD2 0.0038 -0.0057 0.0132 124 LEU 16 H 0.0063 -0.0004 0.0090 125 LEU 16 HA 0.0061 -0.0021 0.0054 126 LEU 16 HB2 0.0058 -0.0013 0.0105 127 LEU 16 HB3 0.0047 -0.0039 0.0113 128 LEU 16 HG 0.0039 -0.0069 0.0088 129 LEU 16 HD11 0.0046 -0.0051 0.0083 130 LEU 16 HD12 0.0055 -0.0035 0.0062 131 LEU 16 HD13 0.0057 -0.0020 0.0093 132 LEU 16 HD21 0.0033 -0.0070 0.0132 133 LEU 16 HD22 0.0044 -0.0039 0.0142 134 LEU 16 HD23 0.0034 -0.0064 0.0142 135 ASP 17 N 0.0059 -0.0081 0.0094 136 ASP 17 CA 0.0081 -0.0189 0.0052 137 ASP 17 C 0.0059 -0.0195 -0.0070 138 ASP 17 O 0.0073 -0.0281 -0.0113 139 ASP 17 CB 0.0108 -0.0271 0.0082 140 ASP 17 CG 0.0096 -0.0230 0.0074 141 ASP 17 OD1 0.0083 -0.0145 0.0124 142 ASP 17 OD2 0.0100 -0.0286 0.0020 143 ASP 17 H 0.0058 -0.0068 0.0103 144 ASP 17 HA 0.0094 -0.0212 0.0089 145 ASP 17 HB2 0.0115 -0.0334 0.0032 146 ASP 17 HB3 0.0128 -0.0291 0.0156 147 ASP 18 N 0.0137 -0.0104 -0.0023 148 ASP 18 CA 0.0141 -0.0105 -0.0078 149 ASP 18 C 0.0148 -0.0118 -0.0054 150 ASP 18 O 0.0157 -0.0128 -0.0097 151 ASP 18 CB 0.0105 -0.0047 -0.0116 152 ASP 18 CG 0.0095 -0.0029 -0.0150 153 ASP 18 OD1 0.0121 -0.0066 -0.0164 154 ASP 18 OD2 0.0062 0.0022 -0.0165 155 ASP 18 H 0.0115 -0.0071 -0.0014 156 ASP 18 HA 0.0162 -0.0133 -0.0109 157 ASP 18 HB2 0.0084 -0.0018 -0.0083 158 ASP 18 HB3 0.0108 -0.0048 -0.0150 159 PHE 19 N 0.0050 -0.0017 0.0055 160 PHE 19 CA 0.0050 -0.0019 0.0064 161 PHE 19 C 0.0059 -0.0028 0.0072 162 PHE 19 O 0.0060 -0.0030 0.0078 163 PHE 19 CB 0.0040 -0.0012 0.0074 164 PHE 19 CG 0.0031 -0.0003 0.0067 165 PHE 19 CD1 0.0029 -0.0001 0.0062 166 PHE 19 CD2 0.0024 0.0003 0.0063 167 PHE 19 CE1 0.0021 0.0007 0.0055 168 PHE 19 CE2 0.0016 0.0011 0.0056 169 PHE 19 CZ 0.0014 0.0013 0.0052 170 PHE 19 H 0.0048 -0.0017 0.0060 171 PHE 19 HA 0.0051 -0.0019 0.0059 172 PHE 19 HB2 0.0039 -0.0012 0.0078 173 PHE 19 HB3 0.0041 -0.0014 0.0080 174 PHE 19 HD1 0.0033 -0.0005 0.0064 175 PHE 19 HD2 0.0026 0.0001 0.0066 176 PHE 19 HE1 0.0019 0.0009 0.0053 177 PHE 19 HE2 0.0012 0.0015 0.0055 178 PHE 19 HZ 0.0009 0.0019 0.0048 179 PRO 20 N 0.0030 0.0010 0.0052 180 PRO 20 CA 0.0010 0.0041 0.0031 181 PRO 20 C -0.0007 0.0000 -0.0002 182 PRO 20 O 0.0007 -0.0051 0.0006 183 PRO 20 CB 0.0037 0.0066 0.0075 184 PRO 20 CG 0.0067 0.0065 0.0117 185 PRO 20 CD 0.0067 0.0012 0.0105 186 PRO 20 HA -0.0007 0.0073 0.0014 187 PRO 20 HB2 0.0044 0.0043 0.0079 188 PRO 20 HB3 0.0028 0.0106 0.0071 189 PRO 20 HG2 0.0088 0.0062 0.0146 190 PRO 20 HG3 0.0064 0.0100 0.0120 191 PRO 20 HD2 0.0079 -0.0023 0.0114 192 PRO 20 HD3 0.0077 0.0016 0.0120 193 VAL 21 N -0.0130 -0.0005 -0.0071 194 VAL 21 CA -0.0139 -0.0028 -0.0137 195 VAL 21 C -0.0137 -0.0043 -0.0175 196 VAL 21 O -0.0170 -0.0027 -0.0166 197 VAL 21 CB -0.0201 -0.0011 -0.0154 198 VAL 21 CG1 -0.0217 -0.0031 -0.0224 199 VAL 21 CG2 -0.0195 -0.0002 -0.0126 200 VAL 21 H -0.0161 0.0014 -0.0052 201 VAL 21 HA -0.0105 -0.0044 -0.0147 202 VAL 21 HB -0.0234 0.0009 -0.0138 203 VAL 21 HG11 -0.0248 -0.0023 -0.0234 204 VAL 21 HG12 -0.0234 -0.0030 -0.0239 205 VAL 21 HG13 -0.0180 -0.0053 -0.0243 206 VAL 21 HG21 -0.0234 0.0009 -0.0137 207 VAL 21 HG22 -0.0161 -0.0021 -0.0142 208 VAL 21 HG23 -0.0187 0.0012 -0.0081 209 GLY 22 N -0.0071 0.0001 -0.0102 210 GLY 22 CA -0.0047 -0.0037 -0.0081 211 GLY 22 C 0.0003 -0.0041 -0.0048 212 GLY 22 O 0.0027 -0.0071 -0.0029 213 GLY 22 H -0.0088 -0.0014 -0.0111 214 GLY 22 HA2 -0.0062 -0.0073 -0.0086 215 GLY 22 HA3 -0.0048 -0.0027 -0.0083 216 ILE 23 N 0.0046 -0.0081 0.0023 217 ILE 23 CA 0.0081 -0.0081 0.0067 218 ILE 23 C 0.0081 -0.0117 0.0076 219 ILE 23 O 0.0072 -0.0104 0.0061 220 ILE 23 CB 0.0099 -0.0024 0.0077 221 ILE 23 CG1 0.0097 0.0011 0.0068 222 ILE 23 CG2 0.0134 -0.0024 0.0123 223 ILE 23 CD1 0.0120 0.0064 0.0084 224 ILE 23 H 0.0034 -0.0070 0.0005 225 ILE 23 HA 0.0092 -0.0094 0.0086 226 ILE 23 HB 0.0087 -0.0010 0.0059 227 ILE 23 HG12 0.0104 -0.0008 0.0080 228 ILE 23 HG13 0.0075 0.0017 0.0037 229 ILE 23 HG21 0.0145 0.0012 0.0128 230 ILE 23 HG22 0.0133 -0.0045 0.0126 231 ILE 23 HG23 0.0146 -0.0040 0.0142 232 ILE 23 HD11 0.0114 0.0086 0.0072 233 ILE 23 HD12 0.0117 0.0080 0.0077 234 ILE 23 HD13 0.0143 0.0059 0.0115 235 PRO 24 N 0.0066 -0.0071 0.0059 236 PRO 24 CA 0.0069 -0.0081 0.0062 237 PRO 24 C 0.0061 -0.0091 0.0072 238 PRO 24 O 0.0051 -0.0087 0.0077 239 PRO 24 CB 0.0066 -0.0074 0.0061 240 PRO 24 CG 0.0067 -0.0061 0.0054 241 PRO 24 CD 0.0063 -0.0059 0.0056 242 PRO 24 HA 0.0077 -0.0086 0.0059 243 PRO 24 HB2 0.0058 -0.0074 0.0066 244 PRO 24 HB3 0.0071 -0.0078 0.0059 245 PRO 24 HG2 0.0063 -0.0055 0.0054 246 PRO 24 HG3 0.0075 -0.0061 0.0048 247 PRO 24 HD2 0.0055 -0.0055 0.0060 248 PRO 24 HD3 0.0067 -0.0053 0.0050 249 LYS 25 N 0.0048 -0.0123 0.0154 250 LYS 25 CA 0.0058 -0.0109 0.0147 251 LYS 25 C 0.0035 -0.0132 0.0152 252 LYS 25 O 0.0005 -0.0148 0.0142 253 LYS 25 CB 0.0054 -0.0081 0.0112 254 LYS 25 CG 0.0081 -0.0054 0.0106 255 LYS 25 CD 0.0116 -0.0043 0.0127 256 LYS 25 CE 0.0144 -0.0023 0.0131 257 LYS 25 NZ 0.0168 0.0008 0.0117 258 LYS 25 H 0.0027 -0.0132 0.0144 259 LYS 25 HA 0.0081 -0.0103 0.0162 260 LYS 25 HB2 0.0033 -0.0087 0.0097 261 LYS 25 HB3 0.0057 -0.0075 0.0107 262 LYS 25 HG2 0.0080 -0.0060 0.0111 263 LYS 25 HG3 0.0077 -0.0038 0.0083 264 LYS 25 HD2 0.0120 -0.0031 0.0117 265 LYS 25 HD3 0.0118 -0.0061 0.0149 266 LYS 25 HE2 0.0157 -0.0032 0.0154 267 LYS 25 HE3 0.0134 -0.0021 0.0118 268 LYS 25 HZ1 0.0183 0.0019 0.0119 269 LYS 25 HZ2 0.0156 0.0017 0.0096 270 LYS 25 HZ3 0.0177 0.0007 0.0128 271 LYS 26 N -0.0068 -0.0281 0.0161 272 LYS 26 CA -0.0054 -0.0142 0.0115 273 LYS 26 C -0.0048 -0.0103 0.0133 274 LYS 26 O -0.0060 -0.0176 0.0088 275 LYS 26 CB -0.0065 -0.0138 -0.0035 276 LYS 26 CG -0.0054 -0.0004 -0.0100 277 LYS 26 CD -0.0064 -0.0012 -0.0222 278 LYS 26 CE -0.0087 -0.0133 -0.0318 279 LYS 26 NZ -0.0093 -0.0093 -0.0461 280 LYS 26 H -0.0080 -0.0340 0.0101 281 LYS 26 HA -0.0042 -0.0076 0.0166 282 LYS 26 HB2 -0.0071 -0.0183 -0.0040 283 LYS 26 HB3 -0.0075 -0.0188 -0.0088 284 LYS 26 HG2 -0.0052 0.0027 -0.0132 285 LYS 26 HG3 -0.0041 0.0059 -0.0035 286 LYS 26 HD2 -0.0058 0.0069 -0.0277 287 LYS 26 HD3 -0.0062 -0.0018 -0.0188 288 LYS 26 HE2 -0.0094 -0.0208 -0.0290 289 LYS 26 HE3 -0.0090 -0.0161 -0.0317 290 LYS 26 HZ1 -0.0085 -0.0031 -0.0460 291 LYS 26 HZ2 -0.0105 -0.0165 -0.0507 292 LYS 26 HZ3 -0.0092 -0.0059 -0.0504 293 VAL 27 N -0.0014 0.0030 0.0125 294 VAL 27 CA -0.0014 0.0050 0.0126 295 VAL 27 C -0.0010 0.0060 0.0124 296 VAL 27 O -0.0013 0.0052 0.0125 297 VAL 27 CB -0.0029 0.0056 0.0136 298 VAL 27 CG1 -0.0033 0.0047 0.0138 299 VAL 27 CG2 -0.0042 0.0052 0.0145 300 VAL 27 H -0.0019 0.0026 0.0128 301 VAL 27 HA -0.0005 0.0053 0.0120 302 VAL 27 HB -0.0029 0.0069 0.0136 303 VAL 27 HG11 -0.0042 0.0052 0.0144 304 VAL 27 HG12 -0.0024 0.0049 0.0133 305 VAL 27 HG13 -0.0034 0.0034 0.0139 306 VAL 27 HG21 -0.0052 0.0054 0.0151 307 VAL 27 HG22 -0.0042 0.0039 0.0144 308 VAL 27 HG23 -0.0041 0.0060 0.0144 309 ALA 28 N 0.0073 0.0233 0.0170 310 ALA 28 CA 0.0084 0.0175 0.0179 311 ALA 28 C -0.0060 0.0151 0.0117 312 ALA 28 O -0.0158 0.0232 0.0069 313 ALA 28 CB 0.0164 0.0290 0.0207 314 ALA 28 H 0.0095 0.0328 0.0174 315 ALA 28 HA 0.0132 0.0078 0.0206 316 ALA 28 HB1 0.0171 0.0251 0.0213 317 ALA 28 HB2 0.0256 0.0306 0.0247 318 ALA 28 HB3 0.0114 0.0385 0.0179 319 VAL 29 N -0.0063 0.0057 0.0094 320 VAL 29 CA -0.0094 0.0042 0.0068 321 VAL 29 C -0.0119 0.0023 0.0064 322 VAL 29 O -0.0128 0.0005 0.0094 323 VAL 29 CB -0.0108 0.0024 0.0086 324 VAL 29 CG1 -0.0140 0.0010 0.0055 325 VAL 29 CG2 -0.0082 0.0042 0.0094 326 VAL 29 H -0.0065 0.0047 0.0118 327 VAL 29 HA -0.0089 0.0055 0.0042 328 VAL 29 HB -0.0114 0.0010 0.0111 329 VAL 29 HG11 -0.0146 0.0001 0.0065 330 VAL 29 HG12 -0.0157 -0.0004 0.0054 331 VAL 29 HG13 -0.0134 0.0024 0.0029 332 VAL 29 HG21 -0.0092 0.0030 0.0103 333 VAL 29 HG22 -0.0074 0.0057 0.0070 334 VAL 29 HG23 -0.0064 0.0049 0.0116 335 THR 30 N -0.0217 0.0065 -0.0091 336 THR 30 CA -0.0274 0.0057 -0.0135 337 THR 30 C -0.0243 0.0070 -0.0108 338 THR 30 O -0.0190 0.0016 -0.0093 339 THR 30 CB -0.0293 -0.0031 -0.0186 340 THR 30 OG1 -0.0225 -0.0097 -0.0165 341 THR 30 CG2 -0.0332 -0.0039 -0.0218 342 THR 30 H -0.0173 0.0033 -0.0073 343 THR 30 HA -0.0319 0.0102 -0.0149 344 THR 30 HB -0.0326 -0.0038 -0.0214 345 THR 30 HG1 -0.0206 -0.0099 -0.0152 346 THR 30 HG21 -0.0350 -0.0091 -0.0253 347 THR 30 HG22 -0.0375 0.0010 -0.0228 348 THR 30 HG23 -0.0297 -0.0040 -0.0193 349 SER 31 N 0.0140 -0.0008 0.0019 350 SER 31 CA 0.0118 0.0002 0.0017 351 SER 31 C 0.0149 0.0051 0.0039 352 SER 31 O 0.0201 0.0057 0.0053 353 SER 31 CB 0.0128 -0.0051 0.0003 354 SER 31 OG 0.0112 -0.0040 0.0003 355 SER 31 H 0.0166 -0.0036 0.0017 356 SER 31 HA 0.0077 0.0012 0.0010 357 SER 31 HB2 0.0106 -0.0081 -0.0011 358 SER 31 HB3 0.0169 -0.0064 0.0009 359 SER 31 HG 0.0117 -0.0070 -0.0005 360 SER 32 N 0.0570 0.0187 0.0143 361 SER 32 CA 0.0553 0.0348 0.0002 362 SER 32 C 0.0391 0.0021 0.0127 363 SER 32 O 0.0454 0.0111 0.0108 364 SER 32 CB 0.0300 0.0595 -0.0403 365 SER 32 OG -0.0070 0.0377 -0.0538 366 SER 32 H 0.0396 0.0197 -0.0008 367 SER 32 HA 0.0817 0.0524 0.0082 368 SER 32 HB2 0.0257 0.0665 -0.0494 369 SER 32 HB3 0.0439 0.0836 -0.0479 370 SER 32 HG -0.0197 0.0524 -0.0759 371 LYS 33 N 0.0111 -0.0281 0.0221 372 LYS 33 CA 0.0162 -0.0263 0.0212 373 LYS 33 C 0.0105 -0.0250 0.0193 374 LYS 33 O 0.0036 -0.0226 0.0163 375 LYS 33 CB 0.0222 -0.0203 0.0166 376 LYS 33 CG 0.0297 -0.0216 0.0187 377 LYS 33 CD 0.0337 -0.0155 0.0138 378 LYS 33 CE 0.0420 -0.0168 0.0160 379 LYS 33 NZ 0.0439 -0.0123 0.0122 380 LYS 33 H 0.0112 -0.0251 0.0195 381 LYS 33 HA 0.0197 -0.0297 0.0247 382 LYS 33 HB2 0.0189 -0.0171 0.0133 383 LYS 33 HB3 0.0247 -0.0185 0.0153 384 LYS 33 HG2 0.0341 -0.0234 0.0209 385 LYS 33 HG3 0.0276 -0.0246 0.0211 386 LYS 33 HD2 0.0297 -0.0141 0.0120 387 LYS 33 HD3 0.0350 -0.0122 0.0110 388 LYS 33 HE2 0.0468 -0.0162 0.0161 389 LYS 33 HE3 0.0415 -0.0211 0.0198 390 LYS 33 HZ1 0.0487 -0.0132 0.0136 391 LYS 33 HZ2 0.0396 -0.0127 0.0120 392 LYS 33 HZ3 0.0445 -0.0082 0.0086 393 MET 34 N 0.0161 -0.0094 -0.0065 394 MET 34 CA -0.0028 -0.0101 -0.0053 395 MET 34 C -0.0152 -0.0018 0.0005 396 MET 34 O -0.0318 -0.0036 0.0008 397 MET 34 CB -0.0094 -0.0272 -0.0147 398 MET 34 CG -0.0003 -0.0358 -0.0204 399 MET 34 SD -0.0114 -0.0338 -0.0184 400 MET 34 CE -0.0020 -0.0153 -0.0084 401 MET 34 H 0.0180 -0.0139 -0.0092 402 MET 34 HA -0.0035 -0.0049 -0.0022 403 MET 34 HB2 -0.0071 -0.0327 -0.0181 404 MET 34 HB3 -0.0222 -0.0275 -0.0138 405 MET 34 HG2 0.0120 -0.0316 -0.0190 406 MET 34 HG3 -0.0003 -0.0468 -0.0269 407 MET 34 HE1 -0.0033 -0.0147 -0.0080 408 MET 34 HE2 -0.0083 -0.0070 -0.0031 409 MET 34 HE3 0.0107 -0.0145 -0.0090 410 ASP 35 N -0.0109 0.0184 -0.0094 411 ASP 35 CA -0.0172 0.0290 -0.0071 412 ASP 35 C -0.0140 0.0236 -0.0088 413 ASP 35 O -0.0068 0.0115 -0.0075 414 ASP 35 CB -0.0210 0.0351 0.0088 415 ASP 35 CG -0.0153 0.0251 0.0216 416 ASP 35 OD1 -0.0103 0.0165 0.0239 417 ASP 35 OD2 -0.0155 0.0251 0.0289 418 ASP 35 H -0.0094 0.0156 -0.0011 419 ASP 35 HA -0.0212 0.0360 -0.0149 420 ASP 35 HB2 -0.0253 0.0424 0.0101 421 ASP 35 HB3 -0.0230 0.0385 0.0097 422 ALA 36 N -0.0295 0.0390 -0.0124 423 ALA 36 CA 0.0075 0.0093 0.0062 424 ALA 36 C -0.0190 -0.0091 -0.0145 425 ALA 36 O -0.0006 0.0028 -0.0003 426 ALA 36 CB 0.0376 -0.0464 0.0155 427 ALA 36 H -0.0284 0.0216 -0.0149 428 ALA 36 HA 0.0318 0.0381 0.0274 429 ALA 36 HB1 0.0621 -0.0661 0.0278 430 ALA 36 HB2 0.0563 -0.0327 0.0302 431 ALA 36 HB3 0.0131 -0.0746 -0.0057 432 TRP 37 N -0.0054 -0.0063 -0.0013 433 TRP 37 CA -0.0051 -0.0055 -0.0014 434 TRP 37 C -0.0031 0.0017 -0.0032 435 TRP 37 O -0.0005 0.0040 -0.0005 436 TRP 37 CB -0.0093 -0.0091 -0.0062 437 TRP 37 CG -0.0093 -0.0084 -0.0066 438 TRP 37 CD1 -0.0091 -0.0126 -0.0031 439 TRP 37 CD2 -0.0094 -0.0034 -0.0105 440 TRP 37 NE1 -0.0091 -0.0105 -0.0047 441 TRP 37 CE2 -0.0093 -0.0049 -0.0092 442 TRP 37 CE3 -0.0096 0.0021 -0.0150 443 TRP 37 CZ2 -0.0094 -0.0011 -0.0122 444 TRP 37 CZ3 -0.0097 0.0059 -0.0180 445 TRP 37 CH2 -0.0096 0.0043 -0.0166 446 TRP 37 H -0.0078 -0.0087 -0.0037 447 TRP 37 HA -0.0035 -0.0073 0.0027 448 TRP 37 HB2 -0.0107 -0.0137 -0.0051 449 TRP 37 HB3 -0.0109 -0.0072 -0.0103 450 TRP 37 HD1 -0.0090 -0.0162 -0.0002 451 TRP 37 HE1 -0.0090 -0.0124 -0.0031 452 TRP 37 HE3 -0.0097 0.0032 -0.0160 453 TRP 37 HZ2 -0.0093 -0.0021 -0.0112 454 TRP 37 HZ3 -0.0098 0.0096 -0.0210 455 TRP 37 HH2 -0.0096 0.0070 -0.0186 456 ASN 38 N -0.0005 0.0068 0.0047 457 ASN 38 CA -0.0004 0.0040 0.0052 458 ASN 38 C -0.0035 0.0023 0.0037 459 ASN 38 O -0.0041 0.0012 0.0035 460 ASN 38 CB 0.0018 0.0013 0.0068 461 ASN 38 CG 0.0051 0.0021 0.0085 462 ASN 38 OD1 0.0057 0.0019 0.0089 463 ASN 38 ND2 0.0071 0.0030 0.0095 464 ASN 38 H 0.0003 0.0064 0.0052 465 ASN 38 HA 0.0005 0.0050 0.0055 466 ASN 38 HB2 0.0018 0.0013 0.0068 467 ASN 38 HB3 0.0010 -0.0010 0.0067 468 ASN 38 HD21 0.0090 0.0034 0.0105 469 ASN 38 HD22 0.0066 0.0031 0.0092 470 ILE 39 N -0.0014 0.0070 0.0034 471 ILE 39 CA -0.0013 0.0059 0.0014 472 ILE 39 C -0.0006 0.0082 0.0061 473 ILE 39 O 0.0029 0.0076 0.0063 474 ILE 39 CB -0.0070 0.0050 -0.0024 475 ILE 39 CG1 -0.0074 0.0025 -0.0075 476 ILE 39 CG2 -0.0068 0.0041 -0.0041 477 ILE 39 CD1 -0.0136 0.0020 -0.0109 478 ILE 39 H -0.0047 0.0072 0.0026 479 ILE 39 HA 0.0021 0.0041 -0.0008 480 ILE 39 HB -0.0106 0.0067 -0.0005 481 ILE 39 HG12 -0.0043 0.0007 -0.0098 482 ILE 39 HG13 -0.0068 0.0030 -0.0063 483 ILE 39 HG21 -0.0100 0.0033 -0.0070 484 ILE 39 HG22 -0.0075 0.0059 -0.0009 485 ILE 39 HG23 -0.0029 0.0027 -0.0054 486 ILE 39 HD11 -0.0137 0.0005 -0.0138 487 ILE 39 HD12 -0.0168 0.0038 -0.0085 488 ILE 39 HD13 -0.0141 0.0013 -0.0124 489 PHE 40 N -0.0011 0.0085 0.0024 490 PHE 40 CA -0.0002 0.0059 0.0019 491 PHE 40 C -0.0021 0.0046 0.0017 492 PHE 40 O -0.0012 0.0035 0.0014 493 PHE 40 CB 0.0000 0.0045 0.0016 494 PHE 40 CG 0.0007 0.0019 0.0010 495 PHE 40 CD1 0.0033 0.0012 0.0008 496 PHE 40 CD2 -0.0012 0.0000 0.0008 497 PHE 40 CE1 0.0039 -0.0013 0.0003 498 PHE 40 CE2 -0.0006 -0.0024 0.0003 499 PHE 40 CZ 0.0020 -0.0030 0.0000 500 PHE 40 H -0.0014 0.0087 0.0024 501 PHE 40 HA 0.0014 0.0060 0.0018 502 PHE 40 HB2 0.0014 0.0054 0.0017 503 PHE 40 HB3 -0.0016 0.0046 0.0017 504 PHE 40 HD1 0.0046 0.0024 0.0009 505 PHE 40 HD2 -0.0029 0.0005 0.0009 506 PHE 40 HE1 0.0056 -0.0018 0.0001 507 PHE 40 HE2 -0.0019 -0.0037 0.0001 508 PHE 40 HZ 0.0024 -0.0048 -0.0003 509 GLU 41 N 0.0002 0.0039 0.0023 510 GLU 41 CA 0.0002 0.0035 0.0026 511 GLU 41 C 0.0008 0.0037 0.0024 512 GLU 41 O 0.0011 0.0034 0.0026 513 GLU 41 CB -0.0005 0.0035 0.0027 514 GLU 41 CG -0.0006 0.0030 0.0032 515 GLU 41 CD -0.0007 0.0026 0.0036 516 GLU 41 OE1 -0.0007 0.0028 0.0035 517 GLU 41 OE2 -0.0007 0.0021 0.0040 518 GLU 41 H -0.0002 0.0040 0.0023 519 GLU 41 HA 0.0004 0.0032 0.0029 520 GLU 41 HB2 -0.0008 0.0037 0.0027 521 GLU 41 HB3 -0.0005 0.0038 0.0025 522 GLU 41 HG2 -0.0011 0.0030 0.0033 523 GLU 41 HG3 -0.0003 0.0028 0.0033 524 GLY 42 N -0.0032 0.0032 0.0033 525 GLY 42 CA -0.0034 0.0015 0.0031 526 GLY 42 C -0.0031 0.0003 0.0009 527 GLY 42 O -0.0034 -0.0015 0.0008 528 GLY 42 H -0.0029 0.0045 0.0034 529 GLY 42 HA2 -0.0039 0.0005 0.0041 530 GLY 42 HA3 -0.0034 0.0022 0.0033 531 LEU 43 N -0.0030 -0.0009 0.0039 532 LEU 43 CA -0.0020 -0.0035 -0.0014 533 LEU 43 C -0.0032 -0.0075 -0.0045 534 LEU 43 O -0.0037 -0.0111 -0.0080 535 LEU 43 CB 0.0022 0.0005 -0.0048 536 LEU 43 CG 0.0037 0.0044 -0.0026 537 LEU 43 CD1 0.0079 0.0089 -0.0052 538 LEU 43 CD2 0.0028 0.0020 -0.0039 539 LEU 43 H -0.0011 0.0020 0.0040 540 LEU 43 HA -0.0033 -0.0051 -0.0010 541 LEU 43 HB2 0.0034 0.0023 -0.0049 542 LEU 43 HB3 0.0028 -0.0013 -0.0084 543 LEU 43 HG 0.0026 0.0057 0.0013 544 LEU 43 HD11 0.0088 0.0114 -0.0038 545 LEU 43 HD12 0.0084 0.0105 -0.0042 546 LEU 43 HD13 0.0090 0.0077 -0.0091 547 LEU 43 HD21 0.0038 0.0046 -0.0026 548 LEU 43 HD22 0.0039 0.0007 -0.0078 549 LEU 43 HD23 0.0001 -0.0007 -0.0021 550 VAL 44 N -0.0018 -0.0051 -0.0003 551 VAL 44 CA -0.0023 -0.0035 -0.0022 552 VAL 44 C -0.0014 -0.0061 0.0011 553 VAL 44 O -0.0033 -0.0078 -0.0006 554 VAL 44 CB -0.0003 0.0023 -0.0033 555 VAL 44 CG1 0.0034 0.0043 0.0008 556 VAL 44 CG2 -0.0004 0.0038 -0.0045 557 VAL 44 H 0.0003 -0.0037 0.0019 558 VAL 44 HA -0.0048 -0.0045 -0.0051 559 VAL 44 HB -0.0014 0.0038 -0.0060 560 VAL 44 HG11 0.0049 0.0072 0.0010 561 VAL 44 HG12 0.0035 0.0055 0.0002 562 VAL 44 HG13 0.0040 0.0017 0.0036 563 VAL 44 HG21 0.0003 0.0073 -0.0060 564 VAL 44 HG22 0.0012 0.0032 -0.0016 565 VAL 44 HG23 -0.0027 0.0017 -0.0065 566 VAL 44 N -0.0018 -0.0051 -0.0002 567 VAL 44 CA -0.0022 -0.0033 -0.0021 568 VAL 44 C -0.0012 -0.0056 0.0010 569 VAL 44 O -0.0027 -0.0062 -0.0008 570 VAL 44 CB -0.0003 0.0025 -0.0035 571 VAL 44 CG1 -0.0018 0.0049 -0.0073 572 VAL 44 CG2 0.0035 0.0047 0.0008 573 VAL 44 H 0.0003 -0.0038 0.0020 574 VAL 44 HA -0.0047 -0.0044 -0.0050 575 VAL 44 HB -0.0007 0.0035 -0.0048 576 VAL 44 HG11 -0.0024 0.0071 -0.0099 577 VAL 44 HG12 -0.0038 0.0022 -0.0084 578 VAL 44 HG13 -0.0000 0.0067 -0.0060 579 VAL 44 HG21 0.0045 0.0082 -0.0002 580 VAL 44 HG22 0.0040 0.0027 0.0029 581 VAL 44 HG23 0.0045 0.0046 0.0023 582 MET 45 N 0.0041 -0.0061 0.0057 583 MET 45 CA 0.0051 -0.0071 0.0074 584 MET 45 C 0.0049 -0.0112 0.0106 585 MET 45 O 0.0077 -0.0119 0.0135 586 MET 45 CB 0.0092 -0.0045 0.0086 587 MET 45 CG 0.0099 -0.0003 0.0057 588 MET 45 SD 0.0085 0.0010 0.0035 589 MET 45 CE 0.0120 0.0006 0.0066 590 MET 45 H 0.0057 -0.0060 0.0070 591 MET 45 HA 0.0033 -0.0069 0.0058 592 MET 45 HB2 0.0110 -0.0046 0.0101 593 MET 45 HB3 0.0097 -0.0054 0.0097 594 MET 45 HG2 0.0085 0.0004 0.0040 595 MET 45 HG3 0.0127 0.0012 0.0067 596 MET 45 HE1 0.0115 0.0014 0.0055 597 MET 45 HE2 0.0145 0.0023 0.0073 598 MET 45 HE3 0.0117 -0.0020 0.0085 599 GLY 46 N -0.0016 -0.0171 0.0148 600 GLY 46 CA -0.0023 -0.0150 0.0161 601 GLY 46 C -0.0043 -0.0129 0.0158 602 GLY 46 O -0.0049 -0.0110 0.0171 603 GLY 46 H -0.0011 -0.0172 0.0153 604 GLY 46 HA2 -0.0025 -0.0153 0.0156 605 GLY 46 HA3 -0.0012 -0.0147 0.0177 606 SER 47 N 0.0001 0.0039 0.0069 607 SER 47 CA -0.0012 0.0021 0.0074 608 SER 47 C -0.0028 -0.0001 0.0078 609 SER 47 O -0.0025 -0.0009 0.0071 610 SER 47 CB 0.0001 0.0010 0.0057 611 SER 47 OG 0.0016 -0.0002 0.0039 612 SER 47 H 0.0003 0.0031 0.0064 613 SER 47 HA -0.0020 0.0031 0.0086 614 SER 47 HB2 -0.0008 -0.0003 0.0060 615 SER 47 HB3 0.0010 0.0025 0.0056 616 SER 47 HG 0.0028 0.0004 0.0030 617 VAL 48 N 0.0008 0.0012 0.0125 618 VAL 48 CA -0.0005 0.0001 0.0122 619 VAL 48 C -0.0017 -0.0007 0.0122 620 VAL 48 O -0.0019 -0.0003 0.0127 621 VAL 48 CB -0.0013 0.0007 0.0133 622 VAL 48 CG1 -0.0001 0.0014 0.0133 623 VAL 48 CG2 -0.0020 0.0016 0.0147 624 VAL 48 H 0.0004 0.0016 0.0131 625 VAL 48 HA -0.0000 -0.0004 0.0113 626 VAL 48 HB -0.0021 -0.0000 0.0131 627 VAL 48 HG11 -0.0007 0.0017 0.0139 628 VAL 48 HG12 0.0002 0.0008 0.0124 629 VAL 48 HG13 0.0007 0.0021 0.0134 630 VAL 48 HG21 -0.0024 0.0020 0.0154 631 VAL 48 HG22 -0.0011 0.0023 0.0148 632 VAL 48 HG23 -0.0028 0.0011 0.0147 633 TRP 49 N -0.0008 0.0009 0.0068 634 TRP 49 CA 0.0000 -0.0028 0.0078 635 TRP 49 C 0.0011 -0.0035 0.0118 636 TRP 49 O 0.0014 -0.0011 0.0144 637 TRP 49 CB 0.0001 -0.0031 0.0077 638 TRP 49 CG -0.0008 -0.0036 0.0039 639 TRP 49 CD1 -0.0017 -0.0010 0.0020 640 TRP 49 CD2 -0.0009 -0.0069 0.0016 641 TRP 49 NE1 -0.0023 -0.0025 -0.0015 642 TRP 49 CE2 -0.0019 -0.0062 -0.0018 643 TRP 49 CE3 -0.0003 -0.0105 0.0020 644 TRP 49 CZ2 -0.0022 -0.0089 -0.0047 645 TRP 49 CZ3 -0.0006 -0.0132 -0.0009 646 TRP 49 CH2 -0.0015 -0.0124 -0.0042 647 TRP 49 H -0.0009 0.0027 0.0076 648 TRP 49 HA -0.0001 -0.0047 0.0061 649 TRP 49 HB2 -0.0000 -0.0008 0.0089 650 TRP 49 HB3 0.0007 -0.0053 0.0091 651 TRP 49 HD1 -0.0019 0.0014 0.0029 652 TRP 49 HE1 -0.0029 -0.0013 -0.0032 653 TRP 49 HE3 0.0004 -0.0111 0.0041 654 TRP 49 HZ2 -0.0028 -0.0083 -0.0069 655 TRP 49 HZ3 -0.0002 -0.0156 -0.0007 656 TRP 49 HH2 -0.0017 -0.0142 -0.0061 657 VAL 50 N 0.0021 -0.0017 0.0125 658 VAL 50 CA 0.0008 -0.0013 0.0124 659 VAL 50 C 0.0008 -0.0018 0.0125 660 VAL 50 O 0.0018 -0.0016 0.0124 661 VAL 50 CB 0.0006 0.0003 0.0120 662 VAL 50 CG1 -0.0008 0.0007 0.0119 663 VAL 50 CG2 0.0007 0.0009 0.0118 664 VAL 50 H 0.0029 -0.0013 0.0123 665 VAL 50 HA 0.0000 -0.0017 0.0125 666 VAL 50 HB 0.0014 0.0007 0.0119 667 VAL 50 HG11 -0.0010 0.0017 0.0117 668 VAL 50 HG12 -0.0007 0.0005 0.0120 669 VAL 50 HG13 -0.0015 0.0001 0.0121 670 VAL 50 HG21 0.0005 0.0019 0.0116 671 VAL 50 HG22 0.0000 0.0004 0.0120 672 VAL 50 HG23 0.0017 0.0007 0.0118 673 ILE 51 N -0.0014 -0.0014 0.0060 674 ILE 51 CA -0.0027 -0.0002 0.0051 675 ILE 51 C -0.0039 0.0004 0.0036 676 ILE 51 O -0.0042 -0.0008 0.0021 677 ILE 51 CB -0.0027 -0.0012 0.0041 678 ILE 51 CG1 -0.0012 -0.0023 0.0054 679 ILE 51 CG2 -0.0039 0.0002 0.0035 680 ILE 51 CD1 -0.0003 -0.0045 0.0047 681 ILE 51 H -0.0013 -0.0023 0.0053 682 ILE 51 HA -0.0027 0.0010 0.0061 683 ILE 51 HB -0.0028 -0.0022 0.0030 684 ILE 51 HG12 -0.0014 -0.0019 0.0054 685 ILE 51 HG13 -0.0007 -0.0018 0.0067 686 ILE 51 HG21 -0.0039 -0.0005 0.0029 687 ILE 51 HG22 -0.0048 0.0008 0.0027 688 ILE 51 HG23 -0.0037 0.0012 0.0047 689 ILE 51 HD11 0.0006 -0.0050 0.0056 690 ILE 51 HD12 -0.0001 -0.0048 0.0048 691 ILE 51 HD13 -0.0009 -0.0049 0.0035 692 ARG 52 N -0.0045 0.0023 -0.0051 693 ARG 52 CA -0.0030 0.0014 -0.0035 694 ARG 52 C -0.0034 0.0021 -0.0044 695 ARG 52 O -0.0056 0.0022 -0.0055 696 ARG 52 CB -0.0039 -0.0012 -0.0018 697 ARG 52 CG -0.0025 -0.0025 0.0000 698 ARG 52 CD -0.0040 -0.0050 0.0014 699 ARG 52 NE -0.0029 -0.0064 0.0032 700 ARG 52 CZ -0.0039 -0.0087 0.0046 701 ARG 52 NH1 -0.0060 -0.0097 0.0045 702 ARG 52 NH2 -0.0028 -0.0098 0.0061 703 ARG 52 H -0.0060 0.0014 -0.0050 704 ARG 52 HA -0.0011 0.0019 -0.0030 705 ARG 52 HB2 -0.0037 -0.0016 -0.0013 706 ARG 52 HB3 -0.0058 -0.0017 -0.0023 707 ARG 52 HG2 -0.0025 -0.0020 -0.0004 708 ARG 52 HG3 -0.0007 -0.0023 0.0007 709 ARG 52 HD2 -0.0039 -0.0055 0.0019 710 ARG 52 HD3 -0.0059 -0.0052 0.0007 711 ARG 52 HE -0.0016 -0.0058 0.0033 712 ARG 52 HH11 -0.0068 -0.0090 0.0036 713 ARG 52 HH12 -0.0067 -0.0112 0.0055 714 ARG 52 HH21 -0.0014 -0.0091 0.0062 715 ARG 52 HH22 -0.0035 -0.0112 0.0071 716 GLN 53 N -0.0125 0.0075 -0.0091 717 GLN 53 CA -0.0131 0.0091 -0.0114 718 GLN 53 C -0.0141 0.0095 -0.0110 719 GLN 53 O -0.0138 0.0083 -0.0093 720 GLN 53 CB -0.0107 0.0089 -0.0136 721 GLN 53 CG -0.0093 0.0081 -0.0136 722 GLN 53 CD -0.0106 0.0093 -0.0144 723 GLN 53 OE1 -0.0116 0.0109 -0.0161 724 GLN 53 NE2 -0.0107 0.0086 -0.0131 725 GLN 53 H -0.0111 0.0066 -0.0090 726 GLN 53 HA -0.0144 0.0101 -0.0119 727 GLN 53 HB2 -0.0096 0.0082 -0.0134 728 GLN 53 HB3 -0.0112 0.0101 -0.0152 729 GLN 53 HG2 -0.0090 0.0070 -0.0119 730 GLN 53 HG3 -0.0076 0.0078 -0.0148 731 GLN 53 HE21 -0.0099 0.0075 -0.0118 732 GLN 53 HE22 -0.0114 0.0093 -0.0134 733 LYS 54 N -0.0414 0.0125 -0.0185 734 LYS 54 CA -0.0213 -0.0009 -0.0199 735 LYS 54 C -0.0192 -0.0008 -0.0167 736 LYS 54 O -0.0046 -0.0123 -0.0218 737 LYS 54 CB -0.0049 -0.0033 -0.0021 738 LYS 54 CG 0.0008 -0.0093 -0.0074 739 LYS 54 CD 0.0131 -0.0080 0.0129 740 LYS 54 CE 0.0073 -0.0044 0.0126 741 LYS 54 NZ 0.0101 -0.0154 -0.0077 742 LYS 54 H -0.0413 0.0173 -0.0076 743 LYS 54 HA -0.0193 -0.0088 -0.0345 744 LYS 54 HB2 -0.0099 0.0060 0.0115 745 LYS 54 HB3 0.0074 -0.0101 0.0002 746 LYS 54 HG2 0.0090 -0.0195 -0.0184 747 LYS 54 HG3 -0.0116 -0.0040 -0.0130 748 LYS 54 HD2 0.0103 -0.0002 0.0262 749 LYS 54 HD3 0.0276 -0.0171 0.0131 750 LYS 54 HE2 -0.0070 0.0050 0.0133 751 LYS 54 HE3 0.0159 -0.0041 0.0253 752 LYS 54 HZ1 0.0065 -0.0129 -0.0073 753 LYS 54 HZ2 0.0232 -0.0241 -0.0086 754 LYS 54 HZ3 0.0025 -0.0159 -0.0196 755 ASP 55 N 0.0498 0.0109 0.0028 756 ASP 55 CA 0.0363 0.0081 -0.0187 757 ASP 55 C 0.0046 0.0029 -0.0557 758 ASP 55 O -0.0132 0.0002 -0.0741 759 ASP 55 CB 0.0166 0.0108 0.0144 760 ASP 55 CG -0.0282 0.0106 0.0302 761 ASP 55 OD1 -0.0390 0.0098 0.0270 762 ASP 55 OD2 -0.0530 0.0113 0.0459 763 ASP 55 H 0.0315 0.0122 0.0221 764 ASP 55 HA 0.0621 0.0078 -0.0309 765 ASP 55 HB2 0.0139 0.0092 0.0008 766 ASP 55 HB3 0.0357 0.0142 0.0394 767 ASP 56 N -0.0015 0.0009 -0.0052 768 ASP 56 CA -0.0010 -0.0014 -0.0032 769 ASP 56 C 0.0029 0.0030 -0.0044 770 ASP 56 O 0.0041 0.0013 -0.0025 771 ASP 56 CB 0.0013 -0.0069 0.0021 772 ASP 56 CG -0.0036 -0.0121 0.0034 773 ASP 56 OD1 -0.0092 -0.0118 0.0002 774 ASP 56 OD2 -0.0019 -0.0164 0.0075 775 ASP 56 H -0.0052 0.0014 -0.0075 776 ASP 56 HA -0.0054 -0.0026 -0.0047 777 ASP 56 HB2 0.0051 -0.0062 0.0036 778 ASP 56 HB3 0.0023 -0.0077 0.0033 779 SER 57 N -0.0046 0.0062 -0.0042 780 SER 57 CA -0.0025 0.0070 -0.0053 781 SER 57 C -0.0040 0.0072 -0.0059 782 SER 57 O -0.0067 0.0070 -0.0061 783 SER 57 CB -0.0012 0.0084 -0.0078 784 SER 57 OG -0.0034 0.0093 -0.0098 785 SER 57 H -0.0051 0.0067 -0.0053 786 SER 57 HA -0.0009 0.0064 -0.0040 787 SER 57 HB2 0.0003 0.0089 -0.0083 788 SER 57 HB3 -0.0004 0.0083 -0.0074 789 SER 57 HG -0.0027 0.0101 -0.0112 790 LEU 58 N 0.0015 0.0054 0.0008 791 LEU 58 CA 0.0017 0.0054 0.0009 792 LEU 58 C 0.0024 0.0052 0.0001 793 LEU 58 O 0.0031 0.0050 -0.0004 794 LEU 58 CB 0.0021 0.0053 0.0021 795 LEU 58 CG 0.0015 0.0054 0.0031 796 LEU 58 CD1 0.0022 0.0052 0.0038 797 LEU 58 CD2 0.0010 0.0055 0.0039 798 LEU 58 H 0.0021 0.0053 0.0007 799 LEU 58 HA 0.0010 0.0056 0.0009 800 LEU 58 HB2 0.0029 0.0050 0.0022 801 LEU 58 HB3 0.0022 0.0052 0.0022 802 LEU 58 HG 0.0009 0.0056 0.0028 803 LEU 58 HD11 0.0018 0.0053 0.0044 804 LEU 58 HD12 0.0024 0.0051 0.0033 805 LEU 58 HD13 0.0028 0.0050 0.0040 806 LEU 58 HD21 0.0006 0.0056 0.0045 807 LEU 58 HD22 0.0016 0.0054 0.0042 808 LEU 58 HD23 0.0005 0.0057 0.0035 809 LYS 59 N -0.0025 0.0029 0.0029 810 LYS 59 CA 0.0027 -0.0030 0.0019 811 LYS 59 C 0.0063 -0.0039 0.0108 812 LYS 59 O 0.0037 0.0008 0.0166 813 LYS 59 CB 0.0005 -0.0024 -0.0031 814 LYS 59 CG -0.0020 -0.0029 -0.0127 815 LYS 59 CD -0.0061 -0.0000 -0.0170 816 LYS 59 CE -0.0091 0.0001 -0.0263 817 LYS 59 NZ -0.0057 -0.0056 -0.0325 818 LYS 59 H -0.0051 0.0064 0.0052 819 LYS 59 HA 0.0052 -0.0068 -0.0012 820 LYS 59 HB2 -0.0027 0.0018 -0.0009 821 LYS 59 HB3 0.0040 -0.0059 -0.0025 822 LYS 59 HG2 0.0014 -0.0075 -0.0155 823 LYS 59 HG3 -0.0045 -0.0005 -0.0134 824 LYS 59 HD2 -0.0093 0.0044 -0.0140 825 LYS 59 HD3 -0.0035 -0.0027 -0.0170 826 LYS 59 HE2 -0.0092 -0.0000 -0.0269 827 LYS 59 HE3 -0.0133 0.0041 -0.0277 828 LYS 59 HZ1 -0.0057 -0.0055 -0.0321 829 LYS 59 HZ2 -0.0018 -0.0093 -0.0313 830 LYS 59 HZ3 -0.0075 -0.0054 -0.0378 831 VAL 60 N 0.0018 0.0030 0.0092 832 VAL 60 CA 0.0031 0.0031 0.0105 833 VAL 60 C 0.0039 0.0010 0.0112 834 VAL 60 O 0.0032 -0.0006 0.0106 835 VAL 60 CB 0.0028 0.0036 0.0101 836 VAL 60 CG1 0.0042 0.0035 0.0115 837 VAL 60 CG2 0.0021 0.0057 0.0094 838 VAL 60 H 0.0013 0.0019 0.0087 839 VAL 60 HA 0.0038 0.0041 0.0111 840 VAL 60 HB 0.0021 0.0026 0.0094 841 VAL 60 HG11 0.0040 0.0042 0.0114 842 VAL 60 HG12 0.0044 0.0021 0.0117 843 VAL 60 HG13 0.0049 0.0041 0.0123 844 VAL 60 HG21 0.0020 0.0060 0.0093 845 VAL 60 HG22 0.0026 0.0067 0.0100 846 VAL 60 HG23 0.0011 0.0056 0.0085 847 PHE 61 N 0.0024 -0.0048 0.0106 848 PHE 61 CA 0.0038 -0.0056 0.0097 849 PHE 61 C 0.0053 -0.0052 0.0104 850 PHE 61 O 0.0051 -0.0044 0.0113 851 PHE 61 CB 0.0032 -0.0064 0.0085 852 PHE 61 CG 0.0017 -0.0069 0.0077 853 PHE 61 CD1 0.0018 -0.0076 0.0068 854 PHE 61 CD2 0.0001 -0.0066 0.0079 855 PHE 61 CE1 0.0005 -0.0081 0.0061 856 PHE 61 CE2 -0.0013 -0.0071 0.0072 857 PHE 61 CZ -0.0011 -0.0078 0.0062 858 PHE 61 H 0.0022 -0.0044 0.0110 859 PHE 61 HA 0.0041 -0.0059 0.0093 860 PHE 61 HB2 0.0029 -0.0061 0.0089 861 PHE 61 HB3 0.0041 -0.0069 0.0079 862 PHE 61 HD1 0.0029 -0.0078 0.0066 863 PHE 61 HD2 -0.0000 -0.0061 0.0086 864 PHE 61 HE1 0.0006 -0.0085 0.0054 865 PHE 61 HE2 -0.0023 -0.0069 0.0073 866 PHE 61 HZ -0.0020 -0.0081 0.0058 867 SER 62 N 0.0033 -0.0054 0.0078 868 SER 62 CA 0.0020 -0.0054 0.0070 869 SER 62 C -0.0017 -0.0059 0.0051 870 SER 62 O -0.0027 -0.0049 0.0032 871 SER 62 CB 0.0041 -0.0029 0.0054 872 SER 62 OG 0.0030 -0.0029 0.0046 873 SER 62 H 0.0050 -0.0040 0.0073 874 SER 62 HA 0.0022 -0.0068 0.0088 875 SER 62 HB2 0.0064 -0.0026 0.0066 876 SER 62 HB3 0.0039 -0.0015 0.0035 877 SER 62 HG 0.0019 -0.0044 0.0057 878 THR 63 N -0.0073 0.0026 -0.0038 879 THR 63 CA -0.0088 0.0016 -0.0063 880 THR 63 C -0.0087 0.0036 -0.0089 881 THR 63 O -0.0100 0.0030 -0.0111 882 THR 63 CB -0.0098 0.0001 -0.0067 883 THR 63 OG1 -0.0088 0.0020 -0.0067 884 THR 63 CG2 -0.0101 -0.0022 -0.0043 885 THR 63 H -0.0069 0.0028 -0.0032 886 THR 63 HA -0.0095 0.0003 -0.0062 887 THR 63 HB -0.0108 -0.0006 -0.0084 888 THR 63 HG1 -0.0092 0.0012 -0.0068 889 THR 63 HG21 -0.0107 -0.0030 -0.0046 890 THR 63 HG22 -0.0109 -0.0035 -0.0043 891 THR 63 HG23 -0.0091 -0.0017 -0.0026 892 ASN 64 N -0.0091 -0.0026 -0.0089 893 ASN 64 CA -0.0095 0.0006 -0.0114 894 ASN 64 C -0.0089 0.0032 -0.0128 895 ASN 64 O -0.0062 0.0043 -0.0114 896 ASN 64 CB -0.0069 0.0021 -0.0104 897 ASN 64 CG -0.0073 0.0052 -0.0129 898 ASN 64 OD1 -0.0100 0.0050 -0.0149 899 ASN 64 ND2 -0.0046 0.0081 -0.0128 900 ASN 64 H -0.0071 -0.0026 -0.0073 901 ASN 64 HA -0.0118 0.0000 -0.0128 902 ASN 64 HB2 -0.0072 0.0003 -0.0094 903 ASN 64 HB3 -0.0047 0.0028 -0.0092 904 ASN 64 HD21 -0.0047 0.0099 -0.0141 905 ASN 64 HD22 -0.0028 0.0081 -0.0113 906 ASN 64 N -0.0092 -0.0027 -0.0088 907 ASN 64 CA -0.0097 0.0005 -0.0115 908 ASN 64 C -0.0091 0.0030 -0.0128 909 ASN 64 O -0.0066 0.0038 -0.0114 910 ASN 64 CB -0.0074 0.0023 -0.0110 911 ASN 64 CG -0.0083 0.0003 -0.0103 912 ASN 64 OD1 -0.0112 -0.0016 -0.0112 913 ASN 64 ND2 -0.0059 0.0008 -0.0087 914 ASN 64 H -0.0072 -0.0027 -0.0073 915 ASN 64 HA -0.0120 -0.0002 -0.0129 916 ASN 64 HB2 -0.0051 0.0025 -0.0093 917 ASN 64 HB3 -0.0075 0.0046 -0.0127 918 ASN 64 HD21 -0.0062 -0.0002 -0.0083 919 ASN 64 HD22 -0.0039 0.0022 -0.0081 920 CYS 65 N -0.0127 0.0040 -0.0126 921 CYS 65 CA -0.0124 0.0048 -0.0121 922 CYS 65 C -0.0127 0.0051 -0.0118 923 CYS 65 O -0.0135 0.0049 -0.0118 924 CYS 65 CB -0.0128 0.0053 -0.0116 925 CYS 65 SG -0.0125 0.0063 -0.0109 926 CYS 65 HA -0.0117 0.0049 -0.0121 927 CYS 65 HB2 -0.0127 0.0051 -0.0118 928 CYS 65 HB3 -0.0135 0.0052 -0.0116 929 CYS 65 H -0.0131 0.0039 -0.0126 930 CYS 65 H -0.0132 0.0039 -0.0126 931 PRO 66 N -0.0051 0.0018 -0.0067 932 PRO 66 CA -0.0020 0.0041 -0.0077 933 PRO 66 C -0.0024 0.0062 -0.0111 934 PRO 66 O 0.0002 0.0081 -0.0120 935 PRO 66 CB -0.0008 0.0043 -0.0071 936 PRO 66 CG -0.0039 0.0028 -0.0073 937 PRO 66 CD -0.0060 0.0007 -0.0059 938 PRO 66 HA -0.0004 0.0040 -0.0064 939 PRO 66 HB2 0.0003 0.0060 -0.0087 940 PRO 66 HB3 0.0008 0.0037 -0.0051 941 PRO 66 HG2 -0.0050 0.0037 -0.0094 942 PRO 66 HG3 -0.0034 0.0023 -0.0062 943 PRO 66 HD2 -0.0084 0.0001 -0.0068 944 PRO 66 HD3 -0.0055 -0.0005 -0.0037 945 HIS 67 N -0.0028 0.0031 -0.0235 946 HIS 67 CA -0.0003 -0.0004 -0.0215 947 HIS 67 C 0.0018 -0.0003 -0.0203 948 HIS 67 O 0.0008 -0.0030 -0.0204 949 HIS 67 CB 0.0024 -0.0001 -0.0201 950 HIS 67 CG 0.0051 -0.0035 -0.0180 951 HIS 67 ND1 0.0089 -0.0025 -0.0160 952 HIS 67 CD2 0.0045 -0.0077 -0.0174 953 HIS 67 CE1 0.0106 -0.0061 -0.0144 954 HIS 67 NE2 0.0080 -0.0093 -0.0152 955 HIS 67 H -0.0020 0.0052 -0.0235 956 HIS 67 HA -0.0019 -0.0031 -0.0218 957 HIS 67 HB2 0.0009 -0.0004 -0.0208 958 HIS 67 HB3 0.0039 0.0026 -0.0198 959 HIS 67 HD2 0.0022 -0.0093 -0.0184 960 HIS 67 HE1 0.0132 -0.0063 -0.0130 961 HIS 67 HE2 0.0085 -0.0119 -0.0145 962 LEU 68 N 0.0128 -0.0071 -0.0314 963 LEU 68 CA 0.0187 -0.0366 0.0055 964 LEU 68 C 0.0039 -0.0695 0.0623 965 LEU 68 O -0.0105 -0.0884 0.0992 966 LEU 68 CB -0.0153 -0.0146 -0.0000 967 LEU 68 CG 0.0090 0.0087 -0.0505 968 LEU 68 CD1 -0.0285 0.0303 -0.0526 969 LEU 68 CD2 0.0696 -0.0197 -0.0560 970 LEU 68 H -0.0175 0.0014 -0.0206 971 LEU 68 HA 0.0583 -0.0516 -0.0031 972 LEU 68 HB2 -0.0538 0.0054 0.0009 973 LEU 68 HB3 -0.0160 -0.0352 0.0292 974 LEU 68 HG 0.0103 0.0290 -0.0797 975 LEU 68 HD11 -0.0124 0.0448 -0.0849 976 LEU 68 HD12 -0.0664 0.0498 -0.0517 977 LEU 68 HD13 -0.0304 0.0097 -0.0226 978 LEU 68 HD21 0.0796 -0.0051 -0.0837 979 LEU 68 HD22 0.0715 -0.0444 -0.0230 980 LEU 68 HD23 0.0955 -0.0272 -0.0649 981 GLY 69 N -0.0107 0.0092 -0.0279 982 GLY 69 CA -0.0106 0.0069 -0.0250 983 GLY 69 C -0.0141 0.0051 -0.0241 984 GLY 69 O -0.0142 0.0032 -0.0217 985 GLY 69 H -0.0105 0.0095 -0.0282 986 GLY 69 HA2 -0.0093 0.0064 -0.0238 987 GLY 69 HA3 -0.0095 0.0070 -0.0246 988 CYS 70 N -0.0319 0.0077 -0.0145 989 CYS 70 CA -0.0303 0.0061 -0.0164 990 CYS 70 C -0.0251 0.0042 -0.0192 991 CYS 70 O -0.0221 0.0048 -0.0190 992 CYS 70 CB -0.0295 0.0091 -0.0132 993 CYS 70 SG -0.0359 0.0108 -0.0105 994 CYS 70 H -0.0319 0.0101 -0.0118 995 CYS 70 HA -0.0333 0.0043 -0.0181 996 CYS 70 HB2 -0.0272 0.0112 -0.0112 997 CYS 70 HB3 -0.0277 0.0081 -0.0146 998 GLY 71 N -0.0296 0.0096 -0.0313 999 GLY 71 CA -0.0229 0.0053 -0.0330 1000 GLY 71 C -0.0168 0.0079 -0.0301 1001 GLY 71 O -0.0180 0.0104 -0.0286 1002 GLY 71 H -0.0331 0.0086 -0.0327 1003 GLY 71 HA2 -0.0211 0.0045 -0.0333 1004 GLY 71 HA3 -0.0239 0.0015 -0.0359 1005 ILE 72 N -0.0131 0.0072 -0.0156 1006 ILE 72 CA -0.0111 0.0059 -0.0137 1007 ILE 72 C -0.0087 0.0051 -0.0156 1008 ILE 72 O -0.0091 0.0057 -0.0176 1009 ILE 72 CB -0.0123 0.0061 -0.0117 1010 ILE 72 CG1 -0.0145 0.0068 -0.0095 1011 ILE 72 CG2 -0.0101 0.0048 -0.0101 1012 ILE 72 CD1 -0.0161 0.0072 -0.0077 1013 ILE 72 H -0.0143 0.0078 -0.0160 1014 ILE 72 HA -0.0104 0.0054 -0.0125 1015 ILE 72 HB -0.0132 0.0067 -0.0128 1016 ILE 72 HG12 -0.0137 0.0062 -0.0082 1017 ILE 72 HG13 -0.0158 0.0076 -0.0106 1018 ILE 72 HG21 -0.0110 0.0049 -0.0086 1019 ILE 72 HG22 -0.0090 0.0045 -0.0115 1020 ILE 72 HG23 -0.0091 0.0041 -0.0091 1021 ILE 72 HD11 -0.0172 0.0074 -0.0061 1022 ILE 72 HD12 -0.0172 0.0079 -0.0089 1023 ILE 72 HD13 -0.0148 0.0064 -0.0068 1024 ASP 73 N -0.0052 0.0142 -0.0185 1025 ASP 73 CA 0.0009 0.0107 -0.0222 1026 ASP 73 C 0.0006 0.0050 -0.0145 1027 ASP 73 O -0.0018 0.0014 -0.0067 1028 ASP 73 CB 0.0092 0.0058 -0.0271 1029 ASP 73 CG 0.0103 0.0110 -0.0353 1030 ASP 73 OD1 0.0072 0.0182 -0.0403 1031 ASP 73 OD2 0.0144 0.0078 -0.0366 1032 ASP 73 H -0.0038 0.0109 -0.0161 1033 ASP 73 HA -0.0002 0.0151 -0.0265 1034 ASP 73 HB2 0.0100 0.0015 -0.0228 1035 ASP 73 HB3 0.0133 0.0032 -0.0292 1036 TRP 74 N 0.0047 -0.0027 -0.0031 1037 TRP 74 CA 0.0057 -0.0030 -0.0025 1038 TRP 74 C 0.0065 -0.0035 -0.0026 1039 TRP 74 O 0.0066 -0.0038 -0.0036 1040 TRP 74 CB 0.0061 -0.0034 -0.0029 1041 TRP 74 CG 0.0072 -0.0038 -0.0024 1042 TRP 74 CD1 0.0080 -0.0044 -0.0029 1043 TRP 74 CD2 0.0075 -0.0036 -0.0013 1044 TRP 74 NE1 0.0089 -0.0046 -0.0022 1045 TRP 74 CE2 0.0086 -0.0041 -0.0012 1046 TRP 74 CE3 0.0070 -0.0031 -0.0004 1047 TRP 74 CZ2 0.0091 -0.0041 -0.0002 1048 TRP 74 CZ3 0.0075 -0.0030 0.0006 1049 TRP 74 CH2 0.0086 -0.0036 0.0007 1050 TRP 74 H 0.0046 -0.0029 -0.0038 1051 TRP 74 HA 0.0056 -0.0028 -0.0017 1052 TRP 74 HB2 0.0056 -0.0031 -0.0028 1053 TRP 74 HB3 0.0061 -0.0036 -0.0037 1054 TRP 74 HD1 0.0081 -0.0046 -0.0037 1055 TRP 74 HE1 0.0095 -0.0050 -0.0024 1056 TRP 74 HE3 0.0063 -0.0027 -0.0004 1057 TRP 74 HZ2 0.0098 -0.0045 -0.0001 1058 TRP 74 HZ3 0.0072 -0.0027 0.0012 1059 TRP 74 HH2 0.0090 -0.0036 0.0014 1060 ALA 75 N 0.0180 0.0036 -0.0042 1061 ALA 75 CA 0.0197 0.0017 -0.0047 1062 ALA 75 C 0.0180 0.0010 -0.0038 1063 ALA 75 O 0.0162 -0.0007 -0.0028 1064 ALA 75 CB 0.0206 -0.0010 -0.0048 1065 ALA 75 H 0.0169 0.0026 -0.0036 1066 ALA 75 HA 0.0212 0.0027 -0.0056 1067 ALA 75 HB1 0.0217 -0.0022 -0.0051 1068 ALA 75 HB2 0.0217 -0.0005 -0.0054 1069 ALA 75 HB3 0.0191 -0.0020 -0.0040 1070 ASN 76 N 0.0128 0.0020 0.0082 1071 ASN 76 CA 0.0076 0.0028 0.0089 1072 ASN 76 C 0.0031 0.0022 0.0049 1073 ASN 76 O -0.0009 0.0024 0.0041 1074 ASN 76 CB 0.0057 0.0047 0.0147 1075 ASN 76 CG 0.0064 0.0056 0.0179 1076 ASN 76 OD1 0.0047 0.0053 0.0162 1077 ASN 76 ND2 0.0091 0.0066 0.0226 1078 ASN 76 H 0.0137 0.0026 0.0107 1079 ASN 76 HA 0.0082 0.0026 0.0083 1080 ASN 76 HB2 0.0078 0.0050 0.0164 1081 ASN 76 HB3 0.0018 0.0051 0.0146 1082 ASN 76 HD21 0.0103 0.0068 0.0237 1083 ASN 76 HD22 0.0096 0.0071 0.0246 1084 ASP 77 N -0.0017 0.0028 0.0206 1085 ASP 77 CA -0.0227 0.0025 0.0019 1086 ASP 77 C -0.0143 0.0073 -0.0188 1087 ASP 77 O -0.0272 0.0060 -0.0236 1088 ASP 77 CB -0.0344 0.0023 -0.0088 1089 ASP 77 CG -0.0155 0.0074 -0.0211 1090 ASP 77 OD1 0.0080 0.0113 -0.0215 1091 ASP 77 OD2 -0.0248 0.0075 -0.0309 1092 ASP 77 H 0.0054 0.0042 0.0191 1093 ASP 77 HA -0.0368 -0.0013 0.0107 1094 ASP 77 HB2 -0.0474 0.0024 -0.0218 1095 ASP 77 HB3 -0.0422 -0.0013 0.0053 1096 VAL 78 N 0.0108 0.0045 -0.0052 1097 VAL 78 CA 0.0119 0.0049 -0.0077 1098 VAL 78 C 0.0138 0.0048 -0.0067 1099 VAL 78 O 0.0146 0.0051 -0.0085 1100 VAL 78 CB 0.0135 0.0053 -0.0099 1101 VAL 78 CG1 0.0114 0.0054 -0.0113 1102 VAL 78 CG2 0.0161 0.0051 -0.0085 1103 VAL 78 H 0.0120 0.0045 -0.0048 1104 VAL 78 HA 0.0102 0.0050 -0.0087 1105 VAL 78 HB 0.0142 0.0055 -0.0115 1106 VAL 78 HG11 0.0125 0.0056 -0.0127 1107 VAL 78 HG12 0.0098 0.0055 -0.0122 1108 VAL 78 HG13 0.0107 0.0052 -0.0098 1109 VAL 78 HG21 0.0172 0.0054 -0.0100 1110 VAL 78 HG22 0.0154 0.0049 -0.0071 1111 VAL 78 HG23 0.0173 0.0050 -0.0076 1112 SER 79 N 0.0156 0.0049 -0.0009 1113 SER 79 CA 0.0137 0.0048 -0.0024 1114 SER 79 C 0.0106 0.0042 -0.0006 1115 SER 79 O 0.0098 0.0040 0.0004 1116 SER 79 CB 0.0155 0.0051 -0.0029 1117 SER 79 OG 0.0179 0.0056 -0.0053 1118 SER 79 H 0.0162 0.0051 -0.0022 1119 SER 79 HA 0.0131 0.0049 -0.0046 1120 SER 79 HB2 0.0165 0.0050 -0.0009 1121 SER 79 HB3 0.0140 0.0050 -0.0036 1122 SER 79 HG 0.0189 0.0057 -0.0056 1123 ARG 80 N 0.0032 0.0039 -0.0019 1124 ARG 80 CA 0.0004 0.0042 -0.0006 1125 ARG 80 C -0.0001 0.0069 -0.0032 1126 ARG 80 O 0.0024 0.0078 -0.0056 1127 ARG 80 CB 0.0015 0.0016 0.0016 1128 ARG 80 CG 0.0024 -0.0013 0.0042 1129 ARG 80 CD -0.0009 -0.0017 0.0065 1130 ARG 80 NE -0.0001 -0.0047 0.0093 1131 ARG 80 CZ -0.0020 -0.0057 0.0115 1132 ARG 80 NH1 -0.0049 -0.0040 0.0112 1133 ARG 80 NH2 -0.0011 -0.0086 0.0140 1134 ARG 80 H 0.0050 0.0043 -0.0033 1135 ARG 80 HA -0.0019 0.0044 0.0005 1136 ARG 80 HB2 0.0036 0.0016 0.0004 1137 ARG 80 HB3 -0.0006 0.0019 0.0025 1138 ARG 80 HG2 0.0043 -0.0016 0.0034 1139 ARG 80 HG3 0.0033 -0.0028 0.0053 1140 ARG 80 HD2 -0.0031 -0.0010 0.0070 1141 ARG 80 HD3 -0.0015 -0.0006 0.0057 1142 ARG 80 HE 0.0017 -0.0060 0.0096 1143 ARG 80 HH11 -0.0056 -0.0021 0.0096 1144 ARG 80 HH12 -0.0061 -0.0046 0.0126 1145 ARG 80 HH21 0.0008 -0.0098 0.0142 1146 ARG 80 HH22 -0.0023 -0.0093 0.0154 1147 PHE 81 N -0.0042 -0.0003 0.0029 1148 PHE 81 CA -0.0057 0.0007 0.0015 1149 PHE 81 C -0.0069 0.0020 0.0008 1150 PHE 81 O -0.0067 0.0032 0.0020 1151 PHE 81 CB -0.0059 0.0021 0.0024 1152 PHE 81 CG -0.0050 0.0009 0.0027 1153 PHE 81 CD1 -0.0055 -0.0003 0.0011 1154 PHE 81 CD2 -0.0038 0.0010 0.0045 1155 PHE 81 CE1 -0.0048 -0.0013 0.0013 1156 PHE 81 CE2 -0.0031 -0.0001 0.0048 1157 PHE 81 CZ -0.0035 -0.0012 0.0032 1158 PHE 81 H -0.0038 0.0003 0.0041 1159 PHE 81 HA -0.0059 -0.0004 0.0003 1160 PHE 81 HB2 -0.0055 0.0030 0.0036 1161 PHE 81 HB3 -0.0070 0.0029 0.0015 1162 PHE 81 HD1 -0.0063 -0.0003 -0.0002 1163 PHE 81 HD2 -0.0035 0.0018 0.0056 1164 PHE 81 HE1 -0.0051 -0.0021 0.0002 1165 PHE 81 HE2 -0.0022 -0.0000 0.0061 1166 PHE 81 HZ -0.0030 -0.0019 0.0034 1167 LEU 82 N -0.0023 0.0081 -0.0051 1168 LEU 82 CA 0.0009 0.0051 -0.0022 1169 LEU 82 C -0.0013 0.0073 -0.0044 1170 LEU 82 O -0.0011 0.0117 -0.0093 1171 LEU 82 CB 0.0090 0.0047 -0.0029 1172 LEU 82 CG 0.0126 0.0028 -0.0013 1173 LEU 82 CD1 0.0207 0.0024 -0.0020 1174 LEU 82 CD2 0.0103 -0.0021 0.0045 1175 LEU 82 H -0.0013 0.0110 -0.0085 1176 LEU 82 HA -0.0008 0.0020 0.0016 1177 LEU 82 HB2 0.0105 0.0079 -0.0067 1178 LEU 82 HB3 0.0108 0.0026 -0.0008 1179 LEU 82 HG 0.0111 0.0051 -0.0036 1180 LEU 82 HD11 0.0229 0.0012 -0.0009 1181 LEU 82 HD12 0.0222 0.0056 -0.0057 1182 LEU 82 HD13 0.0221 0.0002 0.0003 1183 LEU 82 HD21 0.0129 -0.0032 0.0055 1184 LEU 82 HD22 0.0114 -0.0043 0.0069 1185 LEU 82 HD23 0.0052 -0.0017 0.0049 1186 CYS 83 N -0.0010 0.0050 0.0028 1187 CYS 83 CA -0.0024 0.0056 0.0019 1188 CYS 83 C 0.0044 0.0030 0.0058 1189 CYS 83 O 0.0048 -0.0022 0.0116 1190 CYS 83 CB -0.0107 0.0028 0.0038 1191 CYS 83 SG -0.0119 0.0037 0.0027 1192 CYS 83 H -0.0016 0.0016 0.0065 1193 CYS 83 HA -0.0023 0.0096 -0.0025 1194 CYS 83 HB2 -0.0151 0.0044 0.0014 1195 CYS 83 HB3 -0.0110 -0.0012 0.0082 1196 PRO 84 N 0.0166 0.0011 0.0133 1197 PRO 84 CA 0.0376 -0.0068 0.0214 1198 PRO 84 C 0.0158 -0.0054 0.0336 1199 PRO 84 O 0.0310 -0.0126 0.0438 1200 PRO 84 CB 0.0586 -0.0006 -0.0132 1201 PRO 84 CG 0.0355 0.0139 -0.0396 1202 PRO 84 CD 0.0166 0.0135 -0.0242 1203 PRO 84 HA 0.0538 -0.0166 0.0387 1204 PRO 84 HB2 0.0625 -0.0008 -0.0156 1205 PRO 84 HB3 0.0811 -0.0058 -0.0145 1206 PRO 84 HG2 0.0186 0.0198 -0.0448 1207 PRO 84 HG3 0.0499 0.0172 -0.0605 1208 PRO 84 HD2 -0.0074 0.0218 -0.0313 1209 PRO 84 HD3 0.0294 0.0125 -0.0307 1210 CYS 85 N 0.0048 0.0005 0.0160 1211 CYS 85 CA -0.0055 -0.0052 0.0257 1212 CYS 85 C -0.0055 -0.0123 0.0451 1213 CYS 85 O -0.0018 -0.0157 0.0564 1214 CYS 85 CB -0.0247 -0.0060 0.0171 1215 CYS 85 SG -0.0245 0.0011 -0.0024 1216 CYS 85 H -0.0018 0.0017 0.0088 1217 CYS 85 HA 0.0005 -0.0038 0.0251 1218 CYS 85 HB2 -0.0294 -0.0057 0.0135 1219 CYS 85 HB3 -0.0326 -0.0107 0.0253 1220 HIS 86 N 0.0130 -0.0181 0.0123 1221 HIS 86 CA 0.0139 -0.0098 0.0225 1222 HIS 86 C 0.0269 -0.0108 0.0286 1223 HIS 86 O 0.0299 -0.0044 0.0377 1224 HIS 86 CB 0.0072 -0.0021 0.0277 1225 HIS 86 CG -0.0049 -0.0018 0.0214 1226 HIS 86 ND1 -0.0070 -0.0057 0.0156 1227 HIS 86 CD2 -0.0153 0.0017 0.0196 1228 HIS 86 CE1 -0.0184 -0.0045 0.0106 1229 HIS 86 NE2 -0.0236 -0.0001 0.0128 1230 HIS 86 H 0.0178 -0.0208 0.0118 1231 HIS 86 HA 0.0103 -0.0083 0.0222 1232 HIS 86 HB2 0.0117 -0.0027 0.0295 1233 HIS 86 HB3 0.0064 0.0034 0.0337 1234 HIS 86 HD2 -0.0166 0.0047 0.0224 1235 HIS 86 HE1 -0.0222 -0.0064 0.0062 1236 HIS 86 HE2 -0.0309 0.0013 0.0104 1237 GLU 87 N 0.0260 -0.0197 0.0607 1238 GLU 87 CA 0.0037 -0.0215 0.0549 1239 GLU 87 C 0.0205 -0.0199 0.0586 1240 GLU 87 O 0.0128 -0.0162 0.0416 1241 GLU 87 CB -0.0137 -0.0149 0.0232 1242 GLU 87 CG -0.0322 -0.0164 0.0185 1243 GLU 87 CD -0.0525 -0.0108 -0.0118 1244 GLU 87 OE1 -0.0696 -0.0113 -0.0190 1245 GLU 87 OE2 -0.0514 -0.0058 -0.0284 1246 GLU 87 H 0.0218 -0.0250 0.0769 1247 GLU 87 HA -0.0124 -0.0285 0.0705 1248 GLU 87 HB2 0.0020 -0.0078 0.0072 1249 GLU 87 HB3 -0.0289 -0.0165 0.0207 1250 GLU 87 HG2 -0.0464 -0.0236 0.0355 1251 GLU 87 HG3 -0.0170 -0.0140 0.0182 1252 GLY 88 N 0.0007 -0.0080 0.0252 1253 GLY 88 CA -0.0020 -0.0081 0.0227 1254 GLY 88 C -0.0058 -0.0045 0.0224 1255 GLY 88 O -0.0059 -0.0013 0.0251 1256 GLY 88 H 0.0025 -0.0077 0.0272 1257 GLY 88 HA2 -0.0025 -0.0104 0.0204 1258 GLY 88 HA3 -0.0010 -0.0083 0.0235 1259 VAL 89 N -0.0137 -0.0017 0.0169 1260 VAL 89 CA -0.0147 0.0004 0.0158 1261 VAL 89 C -0.0167 0.0000 0.0139 1262 VAL 89 O -0.0175 -0.0020 0.0133 1263 VAL 89 CB -0.0146 0.0007 0.0159 1264 VAL 89 CG1 -0.0156 0.0031 0.0149 1265 VAL 89 CG2 -0.0126 0.0009 0.0178 1266 VAL 89 H -0.0142 -0.0031 0.0164 1267 VAL 89 HA -0.0142 0.0019 0.0162 1268 VAL 89 HB -0.0151 -0.0007 0.0154 1269 VAL 89 HG11 -0.0154 0.0034 0.0151 1270 VAL 89 HG12 -0.0169 0.0027 0.0137 1271 VAL 89 HG13 -0.0152 0.0045 0.0152 1272 VAL 89 HG21 -0.0126 0.0011 0.0178 1273 VAL 89 HG22 -0.0120 0.0024 0.0183 1274 VAL 89 HG23 -0.0120 -0.0006 0.0184 1275 PHE 90 N -0.0159 -0.0014 0.0049 1276 PHE 90 CA -0.0160 -0.0011 0.0061 1277 PHE 90 C -0.0170 -0.0019 0.0070 1278 PHE 90 O -0.0174 -0.0023 0.0070 1279 PHE 90 CB -0.0153 0.0000 0.0069 1280 PHE 90 CG -0.0143 0.0008 0.0061 1281 PHE 90 CD1 -0.0140 0.0009 0.0054 1282 PHE 90 CD2 -0.0137 0.0014 0.0060 1283 PHE 90 CE1 -0.0131 0.0016 0.0046 1284 PHE 90 CE2 -0.0128 0.0022 0.0052 1285 PHE 90 CZ -0.0124 0.0023 0.0045 1286 PHE 90 H -0.0161 -0.0015 0.0051 1287 PHE 90 HA -0.0159 -0.0011 0.0059 1288 PHE 90 HB2 -0.0155 -0.0000 0.0073 1289 PHE 90 HB3 -0.0153 0.0002 0.0076 1290 PHE 90 HD1 -0.0144 0.0005 0.0055 1291 PHE 90 HD2 -0.0139 0.0014 0.0064 1292 PHE 90 HE1 -0.0129 0.0017 0.0042 1293 PHE 90 HE2 -0.0123 0.0026 0.0051 1294 PHE 90 HZ -0.0118 0.0027 0.0040 1295 ASP 91 N -0.0139 -0.0003 0.0102 1296 ASP 91 CA -0.0127 -0.0010 0.0100 1297 ASP 91 C -0.0126 -0.0021 0.0094 1298 ASP 91 O -0.0134 -0.0022 0.0090 1299 ASP 91 CB -0.0116 -0.0004 0.0109 1300 ASP 91 CG -0.0112 -0.0001 0.0112 1301 ASP 91 OD1 -0.0116 -0.0006 0.0107 1302 ASP 91 OD2 -0.0105 0.0007 0.0119 1303 ASP 91 H -0.0139 0.0003 0.0106 1304 ASP 91 HA -0.0127 -0.0013 0.0099 1305 ASP 91 HB2 -0.0108 -0.0008 0.0108 1306 ASP 91 HB3 -0.0118 0.0003 0.0113 1307 VAL 92 N -0.0048 0.0003 0.0041 1308 VAL 92 CA -0.0048 0.0001 0.0025 1309 VAL 92 C -0.0056 -0.0022 0.0000 1310 VAL 92 O -0.0058 -0.0030 -0.0012 1311 VAL 92 CB -0.0040 0.0031 0.0012 1312 VAL 92 CG1 -0.0038 0.0039 -0.0015 1313 VAL 92 CG2 -0.0039 0.0033 0.0004 1314 VAL 92 H -0.0043 0.0019 0.0038 1315 VAL 92 HA -0.0050 -0.0005 0.0038 1316 VAL 92 HB -0.0035 0.0044 0.0029 1317 VAL 92 HG11 -0.0031 0.0059 -0.0019 1318 VAL 92 HG12 -0.0039 0.0035 -0.0010 1319 VAL 92 HG13 -0.0041 0.0027 -0.0032 1320 VAL 92 HG21 -0.0033 0.0052 -0.0003 1321 VAL 92 HG22 -0.0044 0.0019 -0.0012 1322 VAL 92 HG23 -0.0040 0.0028 0.0021 1323 ASN 93 N -0.0060 0.0033 0.0046 1324 ASN 93 CA -0.0024 -0.0060 -0.0027 1325 ASN 93 C 0.0014 -0.0167 0.0017 1326 ASN 93 O 0.0046 -0.0248 -0.0044 1327 ASN 93 CB -0.0028 -0.0037 -0.0150 1328 ASN 93 CG -0.0062 0.0057 -0.0207 1329 ASN 93 OD1 -0.0067 0.0070 -0.0192 1330 ASN 93 ND2 -0.0085 0.0124 -0.0270 1331 ASN 93 H -0.0071 0.0062 0.0028 1332 ASN 93 HA -0.0021 -0.0068 -0.0028 1333 ASN 93 HB2 -0.0035 -0.0021 -0.0148 1334 ASN 93 HB3 -0.0004 -0.0101 -0.0196 1335 ASN 93 HD21 -0.0080 0.0113 -0.0277 1336 ASN 93 HD22 -0.0104 0.0179 -0.0304 1337 GLY 94 N -0.0047 -0.0076 0.0056 1338 GLY 94 CA -0.0049 -0.0082 0.0060 1339 GLY 94 C -0.0048 -0.0066 0.0052 1340 GLY 94 O -0.0050 -0.0070 0.0055 1341 GLY 94 H -0.0058 -0.0072 0.0060 1342 GLY 94 HA2 -0.0062 -0.0085 0.0069 1343 GLY 94 HA3 -0.0039 -0.0094 0.0059 1344 LYS 95 N -0.0014 -0.0198 0.0114 1345 LYS 95 CA -0.0005 -0.0074 0.0080 1346 LYS 95 C -0.0138 -0.0015 0.0085 1347 LYS 95 O -0.0217 -0.0021 0.0098 1348 LYS 95 CB 0.0074 0.0008 0.0046 1349 LYS 95 CG 0.0095 0.0136 0.0009 1350 LYS 95 CD 0.0137 0.0229 -0.0021 1351 LYS 95 CE 0.0140 0.0362 -0.0057 1352 LYS 95 NZ 0.0086 0.0377 -0.0053 1353 LYS 95 H 0.0002 -0.0202 0.0112 1354 LYS 95 HA 0.0035 -0.0081 0.0076 1355 LYS 95 HB2 0.0157 -0.0033 0.0044 1356 LYS 95 HB3 0.0032 0.0019 0.0050 1357 LYS 95 HG2 0.0016 0.0168 0.0013 1358 LYS 95 HG3 0.0160 0.0130 0.0001 1359 LYS 95 HD2 0.0222 0.0205 -0.0028 1360 LYS 95 HD3 0.0078 0.0229 -0.0012 1361 LYS 95 HE2 0.0227 0.0387 -0.0077 1362 LYS 95 HE3 0.0090 0.0417 -0.0064 1363 LYS 95 HZ1 0.0005 0.0357 -0.0035 1364 LYS 95 HZ2 0.0091 0.0456 -0.0074 1365 LYS 95 HZ3 0.0130 0.0328 -0.0046 1366 THR 96 N -0.0135 0.0032 0.0057 1367 THR 96 CA -0.0142 0.0034 0.0044 1368 THR 96 C -0.0171 0.0040 0.0010 1369 THR 96 O -0.0166 0.0040 -0.0021 1370 THR 96 CB -0.0104 0.0026 0.0028 1371 THR 96 OG1 -0.0072 0.0019 0.0054 1372 THR 96 CG2 -0.0110 0.0028 0.0026 1373 THR 96 H -0.0111 0.0027 0.0051 1374 THR 96 HA -0.0151 0.0035 0.0067 1375 THR 96 HB -0.0097 0.0025 0.0001 1376 THR 96 HG1 -0.0051 0.0015 0.0046 1377 THR 96 HG21 -0.0085 0.0022 0.0028 1378 THR 96 HG22 -0.0122 0.0030 0.0001 1379 THR 96 HG23 -0.0127 0.0031 0.0048 1380 ILE 97 N -0.0183 0.0060 0.0040 1381 ILE 97 CA -0.0198 0.0065 0.0023 1382 ILE 97 C -0.0212 0.0072 0.0002 1383 ILE 97 O -0.0221 0.0078 -0.0015 1384 ILE 97 CB -0.0216 0.0052 0.0033 1385 ILE 97 CG1 -0.0235 0.0038 0.0043 1386 ILE 97 CG2 -0.0201 0.0046 0.0052 1387 ILE 97 CD1 -0.0254 0.0026 0.0052 1388 ILE 97 H -0.0191 0.0054 0.0046 1389 ILE 97 HA -0.0187 0.0073 0.0017 1390 ILE 97 HB -0.0225 0.0055 0.0021 1391 ILE 97 HG12 -0.0226 0.0034 0.0055 1392 ILE 97 HG13 -0.0244 0.0042 0.0031 1393 ILE 97 HG21 -0.0211 0.0039 0.0057 1394 ILE 97 HG22 -0.0187 0.0055 0.0046 1395 ILE 97 HG23 -0.0194 0.0041 0.0065 1396 ILE 97 HD11 -0.0266 0.0018 0.0056 1397 ILE 97 HD12 -0.0261 0.0030 0.0041 1398 ILE 97 HD13 -0.0245 0.0021 0.0066 1399 SER 98 N -0.0208 -0.0030 -0.0013 1400 SER 98 C -0.0036 -0.0074 0.0037 1401 SER 98 O -0.0011 -0.0042 0.0124 1402 SER 98 CA -0.0154 -0.0064 -0.0038 1403 SER 98 CB -0.0232 -0.0028 -0.0028 1404 SER 98 OG -0.0238 0.0030 0.0086 1405 SER 98 H -0.0177 -0.0012 0.0050 1406 SER 98 HA -0.0140 -0.0107 -0.0116 1407 SER 98 HB2 -0.0201 -0.0057 -0.0063 1408 SER 98 HB3 -0.0311 -0.0015 -0.0066 1409 SER 98 HG -0.0172 0.0020 0.0119 1410 SER 98 CA -0.0157 -0.0060 -0.0033 1411 SER 98 CB -0.0234 -0.0015 -0.0003 1412 SER 98 OG -0.0202 -0.0049 -0.0048 1413 SER 98 H -0.0175 -0.0014 0.0048 1414 SER 98 HA -0.0149 -0.0102 -0.0112 1415 SER 98 HB2 -0.0315 0.0002 -0.0035 1416 SER 98 HB3 -0.0226 0.0021 0.0078 1417 SER 98 HG -0.0129 -0.0072 -0.0035 1418 GLY 99 N 0.0093 -0.0190 0.0013 1419 GLY 99 CA 0.0210 -0.0196 0.0064 1420 GLY 99 C 0.0282 -0.0244 0.0032 1421 GLY 99 O 0.0244 -0.0277 -0.0033 1422 GLY 99 H 0.0081 -0.0224 -0.0041 1423 GLY 99 HA2 0.0243 -0.0216 0.0052 1424 GLY 99 HA3 0.0212 -0.0147 0.0134 1425 PRO 100 N 0.0384 -0.0096 0.0073 1426 PRO 100 CA 0.0375 -0.0143 0.0069 1427 PRO 100 C 0.0332 -0.0121 0.0052 1428 PRO 100 O 0.0326 -0.0157 0.0049 1429 PRO 100 CB 0.0441 -0.0151 0.0096 1430 PRO 100 CG 0.0469 -0.0086 0.0108 1431 PRO 100 CD 0.0445 -0.0063 0.0098 1432 PRO 100 HA 0.0360 -0.0185 0.0062 1433 PRO 100 HB2 0.0440 -0.0162 0.0095 1434 PRO 100 HB3 0.0463 -0.0186 0.0104 1435 PRO 100 HG2 0.0457 -0.0055 0.0103 1436 PRO 100 HG3 0.0514 -0.0090 0.0126 1437 PRO 100 HD2 0.0440 -0.0015 0.0097 1438 PRO 100 HD3 0.0472 -0.0077 0.0109 1439 ALA 101 N 0.0086 -0.0031 -0.0030 1440 ALA 101 CA 0.0066 -0.0000 -0.0020 1441 ALA 101 C 0.0034 -0.0022 -0.0018 1442 ALA 101 O 0.0010 -0.0051 -0.0020 1443 ALA 101 CB 0.0043 0.0032 -0.0009 1444 ALA 101 H 0.0081 -0.0029 -0.0029 1445 ALA 101 HA 0.0087 0.0015 -0.0021 1446 ALA 101 HB1 0.0030 0.0052 -0.0002 1447 ALA 101 HB2 0.0063 0.0046 -0.0010 1448 ALA 101 HB3 0.0021 0.0017 -0.0008 1449 PRO 102 N 0.0118 0.0089 -0.0032 1450 PRO 102 CA 0.0150 0.0146 0.0030 1451 PRO 102 C 0.0218 0.0112 0.0065 1452 PRO 102 O 0.0249 0.0156 0.0117 1453 PRO 102 CB 0.0094 0.0200 0.0016 1454 PRO 102 CG 0.0063 0.0144 -0.0044 1455 PRO 102 CD 0.0058 0.0091 -0.0080 1456 PRO 102 HA 0.0158 0.0175 0.0053 1457 PRO 102 HB2 0.0115 0.0224 0.0047 1458 PRO 102 HB3 0.0060 0.0239 0.0011 1459 PRO 102 HG2 0.0093 0.0115 -0.0037 1460 PRO 102 HG3 0.0017 0.0172 -0.0065 1461 PRO 102 HD2 0.0063 0.0040 -0.0107 1462 PRO 102 HD3 0.0015 0.0113 -0.0103 1463 ARG 103 N 0.0100 0.0196 -0.0051 1464 ARG 103 CA 0.0162 0.0167 -0.0069 1465 ARG 103 C 0.0140 0.0139 -0.0057 1466 ARG 103 O 0.0079 0.0135 -0.0035 1467 ARG 103 CB 0.0197 0.0107 -0.0073 1468 ARG 103 CG 0.0149 0.0050 -0.0048 1469 ARG 103 CD 0.0188 -0.0021 -0.0053 1470 ARG 103 NE 0.0215 -0.0049 -0.0059 1471 ARG 103 CZ 0.0265 -0.0098 -0.0070 1472 ARG 103 NH1 0.0295 -0.0128 -0.0077 1473 ARG 103 NH2 0.0285 -0.0120 -0.0074 1474 ARG 103 H 0.0063 0.0181 -0.0035 1475 ARG 103 HA 0.0194 0.0205 -0.0086 1476 ARG 103 HB2 0.0232 0.0084 -0.0083 1477 ARG 103 HB3 0.0216 0.0129 -0.0083 1478 ARG 103 HG2 0.0128 0.0065 -0.0043 1479 ARG 103 HG3 0.0114 0.0043 -0.0035 1480 ARG 103 HD2 0.0226 -0.0014 -0.0067 1481 ARG 103 HD3 0.0158 -0.0055 -0.0037 1482 ARG 103 HE 0.0197 -0.0033 -0.0054 1483 ARG 103 HH11 0.0281 -0.0116 -0.0073 1484 ARG 103 HH12 0.0328 -0.0160 -0.0084 1485 ARG 103 HH21 0.0266 -0.0102 -0.0070 1486 ARG 103 HH22 0.0318 -0.0152 -0.0082 1487 GLY 104 N 0.0071 0.0100 -0.0008 1488 GLY 104 CA 0.0038 0.0042 0.0016 1489 GLY 104 C 0.0038 0.0000 0.0046 1490 GLY 104 O 0.0061 0.0015 0.0047 1491 GLY 104 H 0.0109 0.0111 0.0003 1492 GLY 104 HA2 -0.0004 0.0041 -0.0005 1493 GLY 104 HA3 0.0058 0.0030 0.0034 1494 MET 105 N -0.0017 0.0010 0.0019 1495 MET 105 CA -0.0019 -0.0004 0.0030 1496 MET 105 C 0.0001 -0.0008 0.0039 1497 MET 105 O 0.0015 -0.0004 0.0040 1498 MET 105 CB -0.0033 -0.0018 0.0037 1499 MET 105 CG -0.0054 -0.0016 0.0029 1500 MET 105 SD -0.0070 -0.0028 0.0034 1501 MET 105 CE -0.0069 -0.0047 0.0049 1502 MET 105 H -0.0022 0.0009 0.0019 1503 MET 105 HA -0.0026 -0.0003 0.0027 1504 MET 105 HB2 -0.0029 -0.0018 0.0039 1505 MET 105 HB3 -0.0032 -0.0028 0.0045 1506 MET 105 HG2 -0.0059 -0.0018 0.0029 1507 MET 105 HG3 -0.0054 -0.0005 0.0020 1508 MET 105 HE1 -0.0077 -0.0055 0.0053 1509 MET 105 HE2 -0.0055 -0.0048 0.0055 1510 MET 105 HE3 -0.0072 -0.0047 0.0049 1511 TYR 106 N 0.0057 -0.0045 0.0024 1512 TYR 106 CA 0.0103 -0.0045 0.0056 1513 TYR 106 C 0.0101 -0.0077 0.0100 1514 TYR 106 O 0.0068 -0.0106 0.0117 1515 TYR 106 CB 0.0114 -0.0044 0.0062 1516 TYR 106 CG 0.0116 -0.0013 0.0020 1517 TYR 106 CD1 0.0155 0.0019 0.0002 1518 TYR 106 CD2 0.0081 -0.0017 -0.0000 1519 TYR 106 CE1 0.0158 0.0047 -0.0036 1520 TYR 106 CE2 0.0083 0.0012 -0.0038 1521 TYR 106 CZ 0.0122 0.0044 -0.0056 1522 TYR 106 OH 0.0124 0.0071 -0.0093 1523 TYR 106 H 0.0039 -0.0051 0.0019 1524 TYR 106 HA 0.0129 -0.0025 0.0046 1525 TYR 106 HB2 0.0089 -0.0064 0.0073 1526 TYR 106 HB3 0.0146 -0.0043 0.0083 1527 TYR 106 HD1 0.0180 0.0022 0.0016 1528 TYR 106 HD2 0.0055 -0.0038 0.0012 1529 TYR 106 HE1 0.0184 0.0069 -0.0048 1530 TYR 106 HE2 0.0059 0.0009 -0.0051 1531 TYR 106 HH 0.0131 0.0088 -0.0112 1532 SER 107 N 0.0134 -0.0096 0.0089 1533 SER 107 CA 0.0108 -0.0077 0.0097 1534 SER 107 C 0.0112 -0.0068 0.0108 1535 SER 107 O 0.0119 -0.0081 0.0098 1536 SER 107 CB 0.0080 -0.0085 0.0076 1537 SER 107 OG 0.0082 -0.0102 0.0059 1538 SER 107 H 0.0137 -0.0108 0.0079 1539 SER 107 HA 0.0106 -0.0064 0.0109 1540 SER 107 HB2 0.0063 -0.0071 0.0082 1541 SER 107 HB3 0.0077 -0.0091 0.0069 1542 SER 107 HG 0.0082 -0.0096 0.0065 1543 SER 107 N 0.0134 -0.0096 0.0089 1544 SER 107 CA 0.0108 -0.0078 0.0095 1545 SER 107 C 0.0115 -0.0068 0.0110 1546 SER 107 O 0.0129 -0.0080 0.0103 1547 SER 107 CB 0.0082 -0.0089 0.0073 1548 SER 107 OG 0.0055 -0.0072 0.0078 1549 SER 107 H 0.0138 -0.0108 0.0078 1550 SER 107 HA 0.0102 -0.0066 0.0105 1551 SER 107 HB2 0.0079 -0.0096 0.0064 1552 SER 107 HB3 0.0088 -0.0100 0.0064 1553 SER 107 HG 0.0057 -0.0066 0.0085 1554 TYR 108 N 0.0061 -0.0007 0.0119 1555 TYR 108 CA 0.0042 -0.0003 0.0094 1556 TYR 108 C 0.0035 0.0002 0.0077 1557 TYR 108 O 0.0054 0.0011 0.0074 1558 TYR 108 CB 0.0056 0.0010 0.0076 1559 TYR 108 CG 0.0057 0.0007 0.0085 1560 TYR 108 CD1 0.0074 0.0003 0.0108 1561 TYR 108 CD2 0.0042 0.0008 0.0069 1562 TYR 108 CE1 0.0074 -0.0001 0.0116 1563 TYR 108 CE2 0.0042 0.0005 0.0077 1564 TYR 108 CZ 0.0058 0.0000 0.0100 1565 TYR 108 OH 0.0059 -0.0003 0.0108 1566 TYR 108 H 0.0078 0.0000 0.0117 1567 TYR 108 HA 0.0025 -0.0012 0.0099 1568 TYR 108 HB2 0.0075 0.0018 0.0076 1569 TYR 108 HB3 0.0045 0.0015 0.0058 1570 TYR 108 HD1 0.0085 0.0002 0.0119 1571 TYR 108 HD2 0.0031 0.0011 0.0053 1572 TYR 108 HE1 0.0085 -0.0004 0.0132 1573 TYR 108 HE2 0.0031 0.0005 0.0066 1574 TYR 108 HH 0.0059 0.0003 0.0094 1575 ARG 109 N -0.0020 0.0076 0.0057 1576 ARG 109 CA -0.0007 0.0075 0.0023 1577 ARG 109 C 0.0006 0.0077 0.0001 1578 ARG 109 O -0.0008 0.0065 0.0000 1579 ARG 109 CB -0.0028 0.0050 0.0009 1580 ARG 109 CG -0.0018 0.0045 -0.0025 1581 ARG 109 CD -0.0040 0.0020 -0.0036 1582 ARG 109 NE -0.0030 0.0016 -0.0070 1583 ARG 109 CZ -0.0043 -0.0005 -0.0094 1584 ARG 109 NH1 -0.0066 -0.0025 -0.0090 1585 ARG 109 NH2 -0.0032 -0.0007 -0.0124 1586 ARG 109 H -0.0037 0.0063 0.0063 1587 ARG 109 HA 0.0007 0.0088 0.0024 1588 ARG 109 HB2 -0.0035 0.0049 0.0024 1589 ARG 109 HB3 -0.0043 0.0036 0.0009 1590 ARG 109 HG2 -0.0012 0.0044 -0.0041 1591 ARG 109 HG3 -0.0003 0.0058 -0.0026 1592 ARG 109 HD2 -0.0048 0.0020 -0.0020 1593 ARG 109 HD3 -0.0054 0.0007 -0.0038 1594 ARG 109 HE -0.0015 0.0028 -0.0074 1595 ARG 109 HH11 -0.0074 -0.0024 -0.0071 1596 ARG 109 HH12 -0.0074 -0.0039 -0.0106 1597 ARG 109 HH21 -0.0017 0.0006 -0.0126 1598 ARG 109 HH22 -0.0040 -0.0021 -0.0140 1599 THR 110 N 0.0008 0.0082 0.0017 1600 THR 110 CA 0.0013 0.0086 0.0011 1601 THR 110 C 0.0026 0.0087 -0.0013 1602 THR 110 O 0.0034 0.0094 -0.0022 1603 THR 110 CB 0.0017 0.0109 0.0024 1604 THR 110 OG1 0.0006 0.0110 0.0047 1605 THR 110 CG2 0.0022 0.0113 0.0020 1606 THR 110 H 0.0014 0.0090 0.0012 1607 THR 110 HA 0.0006 0.0075 0.0014 1608 THR 110 HB 0.0025 0.0121 0.0020 1609 THR 110 HG1 0.0008 0.0122 0.0054 1610 THR 110 HG21 0.0023 0.0126 0.0030 1611 THR 110 HG22 0.0031 0.0116 0.0005 1612 THR 110 HG23 0.0015 0.0101 0.0021 1613 THR 110 N 0.0008 0.0082 0.0017 1614 THR 110 CA 0.0013 0.0087 0.0011 1615 THR 110 C 0.0026 0.0087 -0.0013 1616 THR 110 O 0.0034 0.0093 -0.0023 1617 THR 110 CB 0.0018 0.0109 0.0024 1618 THR 110 OG1 0.0029 0.0126 0.0018 1619 THR 110 CG2 0.0006 0.0111 0.0048 1620 THR 110 H 0.0014 0.0090 0.0012 1621 THR 110 HA 0.0006 0.0075 0.0014 1622 THR 110 HB 0.0021 0.0112 0.0020 1623 THR 110 HG1 0.0031 0.0138 0.0027 1624 THR 110 HG21 0.0009 0.0124 0.0055 1625 THR 110 HG22 0.0003 0.0110 0.0054 1626 THR 110 HG23 -0.0002 0.0098 0.0051 1627 LYS 111 N 0.0040 0.0117 -0.0046 1628 LYS 111 CA 0.0086 0.0116 -0.0104 1629 LYS 111 C 0.0074 0.0119 -0.0088 1630 LYS 111 O 0.0031 0.0102 -0.0037 1631 LYS 111 CB 0.0114 0.0043 -0.0147 1632 LYS 111 CG 0.0088 -0.0034 -0.0123 1633 LYS 111 CD 0.0119 -0.0104 -0.0169 1634 LYS 111 CE 0.0093 -0.0182 -0.0145 1635 LYS 111 NZ 0.0123 -0.0251 -0.0190 1636 LYS 111 H 0.0015 0.0091 -0.0017 1637 LYS 111 HA 0.0108 0.0162 -0.0126 1638 LYS 111 HB2 0.0147 0.0050 -0.0186 1639 LYS 111 HB3 0.0118 0.0037 -0.0152 1640 LYS 111 HG2 0.0056 -0.0044 -0.0084 1641 LYS 111 HG3 0.0084 -0.0031 -0.0118 1642 LYS 111 HD2 0.0150 -0.0096 -0.0208 1643 LYS 111 HD3 0.0124 -0.0107 -0.0176 1644 LYS 111 HE2 0.0062 -0.0193 -0.0108 1645 LYS 111 HE3 0.0085 -0.0179 -0.0135 1646 LYS 111 HZ1 0.0139 -0.0247 -0.0210 1647 LYS 111 HZ2 0.0103 -0.0296 -0.0170 1648 LYS 111 HZ3 0.0144 -0.0253 -0.0218 1649 VAL 112 N 0.0077 0.0049 0.0027 1650 VAL 112 CA 0.0071 0.0036 0.0033 1651 VAL 112 C 0.0086 0.0021 0.0034 1652 VAL 112 O 0.0102 0.0025 0.0029 1653 VAL 112 CB 0.0066 0.0045 0.0031 1654 VAL 112 CG1 0.0060 0.0031 0.0038 1655 VAL 112 CG2 0.0052 0.0061 0.0029 1656 VAL 112 H 0.0086 0.0055 0.0023 1657 VAL 112 HA 0.0060 0.0031 0.0038 1658 VAL 112 HB 0.0077 0.0049 0.0027 1659 VAL 112 HG11 0.0057 0.0036 0.0036 1660 VAL 112 HG12 0.0070 0.0021 0.0039 1661 VAL 112 HG13 0.0049 0.0026 0.0042 1662 VAL 112 HG21 0.0049 0.0065 0.0029 1663 VAL 112 HG22 0.0041 0.0057 0.0034 1664 VAL 112 HG23 0.0057 0.0070 0.0025 1665 GLU 113 N 0.0026 -0.0029 0.0079 1666 GLU 113 CA -0.0004 -0.0000 0.0069 1667 GLU 113 C 0.0024 0.0001 0.0019 1668 GLU 113 O 0.0039 0.0009 -0.0024 1669 GLU 113 CB -0.0049 0.0041 0.0058 1670 GLU 113 CG -0.0077 0.0072 0.0040 1671 GLU 113 CD -0.0121 0.0112 0.0026 1672 GLU 113 OE1 -0.0148 0.0118 0.0059 1673 GLU 113 OE2 -0.0128 0.0139 -0.0019 1674 GLU 113 H 0.0039 -0.0026 0.0051 1675 GLU 113 HA -0.0012 -0.0008 0.0100 1676 GLU 113 HB2 -0.0069 0.0041 0.0091 1677 GLU 113 HB3 -0.0042 0.0048 0.0030 1678 GLU 113 HG2 -0.0057 0.0071 0.0008 1679 GLU 113 HG3 -0.0087 0.0066 0.0068 1680 ASN 114 N 0.0088 -0.0045 0.0283 1681 ASN 114 CA 0.0215 -0.0192 0.0045 1682 ASN 114 C 0.0328 -0.0304 -0.0089 1683 ASN 114 O 0.0317 -0.0355 -0.0352 1684 ASN 114 CB 0.0057 -0.0124 -0.0175 1685 ASN 114 CG -0.0045 -0.0019 -0.0040 1686 ASN 114 OD1 0.0065 -0.0053 0.0172 1687 ASN 114 ND2 -0.0254 0.0107 -0.0165 1688 ASN 114 H 0.0127 -0.0039 0.0439 1689 ASN 114 HA 0.0346 -0.0271 0.0121 1690 ASN 114 HB2 -0.0075 -0.0046 -0.0260 1691 ASN 114 HB3 0.0149 -0.0225 -0.0323 1692 ASN 114 HD21 -0.0320 0.0171 -0.0097 1693 ASN 114 HD22 -0.0325 0.0126 -0.0314 1694 ASN 115 N 0.0074 0.0046 0.0129 1695 ASN 115 CA 0.0052 0.0038 0.0114 1696 ASN 115 C 0.0101 0.0036 0.0103 1697 ASN 115 O 0.0088 0.0032 0.0096 1698 ASN 115 CB 0.0008 0.0056 0.0158 1699 ASN 115 CG -0.0035 0.0042 0.0134 1700 ASN 115 OD1 -0.0055 0.0020 0.0087 1701 ASN 115 ND2 -0.0048 0.0056 0.0165 1702 ASN 115 H 0.0069 0.0034 0.0103 1703 ASN 115 HA 0.0031 0.0021 0.0080 1704 ASN 115 HB2 -0.0016 0.0061 0.0174 1705 ASN 115 HB3 0.0030 0.0070 0.0186 1706 ASN 115 HD21 -0.0033 0.0071 0.0197 1707 ASN 115 HD22 -0.0073 0.0049 0.0153 1708 ASN 115 N 0.0073 0.0046 0.0129 1709 ASN 115 CA 0.0052 0.0038 0.0113 1710 ASN 115 C 0.0101 0.0035 0.0102 1711 ASN 115 O 0.0087 0.0030 0.0093 1712 ASN 115 CB 0.0007 0.0055 0.0156 1713 ASN 115 CG -0.0052 0.0053 0.0159 1714 ASN 115 OD1 -0.0071 0.0034 0.0119 1715 ASN 115 ND2 -0.0080 0.0074 0.0208 1716 ASN 115 H 0.0068 0.0034 0.0103 1717 ASN 115 HA 0.0031 0.0021 0.0079 1718 ASN 115 HB2 0.0025 0.0072 0.0192 1719 ASN 115 HB3 -0.0003 0.0050 0.0146 1720 ASN 115 HD21 -0.0065 0.0087 0.0235 1721 ASN 115 HD22 -0.0114 0.0074 0.0212 1722 THR 116 N 0.0029 0.0028 0.0037 1723 THR 116 CA 0.0005 0.0036 0.0032 1724 THR 116 C -0.0002 0.0056 0.0053 1725 THR 116 O 0.0001 0.0065 0.0067 1726 THR 116 CB -0.0014 0.0033 0.0016 1727 THR 116 OG1 -0.0008 0.0014 -0.0004 1728 THR 116 CG2 -0.0040 0.0044 0.0012 1729 THR 116 H 0.0028 0.0031 0.0040 1730 THR 116 HA 0.0006 0.0030 0.0025 1731 THR 116 HB -0.0015 0.0038 0.0022 1732 THR 116 HG1 -0.0019 0.0013 -0.0013 1733 THR 116 HG21 -0.0051 0.0039 -0.0000 1734 THR 116 HG22 -0.0046 0.0056 0.0025 1735 THR 116 HG23 -0.0039 0.0042 0.0010 1736 VAL 117 N 0.0006 0.0057 0.0028 1737 VAL 117 CA -0.0001 0.0069 0.0042 1738 VAL 117 C -0.0020 0.0073 0.0040 1739 VAL 117 O -0.0031 0.0068 0.0030 1740 VAL 117 CB -0.0000 0.0073 0.0048 1741 VAL 117 CG1 -0.0007 0.0086 0.0062 1742 VAL 117 CG2 0.0019 0.0070 0.0049 1743 VAL 117 H 0.0005 0.0053 0.0024 1744 VAL 117 HA 0.0007 0.0073 0.0049 1745 VAL 117 HB -0.0008 0.0070 0.0040 1746 VAL 117 HG11 -0.0005 0.0089 0.0065 1747 VAL 117 HG12 -0.0020 0.0088 0.0060 1748 VAL 117 HG13 -0.0001 0.0090 0.0068 1749 VAL 117 HG21 0.0019 0.0073 0.0053 1750 VAL 117 HG22 0.0027 0.0073 0.0056 1751 VAL 117 HG23 0.0023 0.0061 0.0040 1752 PHE 118 N -0.0045 0.0039 -0.0022 1753 PHE 118 CA -0.0061 0.0029 -0.0018 1754 PHE 118 C -0.0068 0.0053 -0.0007 1755 PHE 118 O -0.0051 0.0072 -0.0007 1756 PHE 118 CB -0.0046 0.0012 -0.0031 1757 PHE 118 CG -0.0043 -0.0016 -0.0042 1758 PHE 118 CD1 -0.0062 -0.0037 -0.0042 1759 PHE 118 CD2 -0.0021 -0.0019 -0.0053 1760 PHE 118 CE1 -0.0059 -0.0062 -0.0052 1761 PHE 118 CE2 -0.0018 -0.0044 -0.0063 1762 PHE 118 CZ -0.0037 -0.0065 -0.0062 1763 PHE 118 H -0.0030 0.0048 -0.0024 1764 PHE 118 HA -0.0077 0.0018 -0.0016 1765 PHE 118 HB2 -0.0029 0.0021 -0.0035 1766 PHE 118 HB3 -0.0056 0.0009 -0.0028 1767 PHE 118 HD1 -0.0077 -0.0035 -0.0035 1768 PHE 118 HD2 -0.0008 -0.0005 -0.0053 1769 PHE 118 HE1 -0.0072 -0.0076 -0.0051 1770 PHE 118 HE2 -0.0003 -0.0046 -0.0070 1771 PHE 118 HZ -0.0036 -0.0082 -0.0069 1772 VAL 119 N -0.0077 0.0044 -0.0036 1773 VAL 119 CA -0.0090 0.0041 -0.0003 1774 VAL 119 C -0.0123 0.0014 -0.0004 1775 VAL 119 O -0.0139 -0.0002 -0.0015 1776 VAL 119 CB -0.0086 0.0053 0.0034 1777 VAL 119 CG1 -0.0053 0.0081 0.0036 1778 VAL 119 CG2 -0.0100 0.0043 0.0036 1779 VAL 119 H -0.0085 0.0037 -0.0039 1780 VAL 119 HA -0.0081 0.0049 -0.0003 1781 VAL 119 HB -0.0096 0.0050 0.0055 1782 VAL 119 HG11 -0.0051 0.0089 0.0059 1783 VAL 119 HG12 -0.0045 0.0089 0.0038 1784 VAL 119 HG13 -0.0044 0.0084 0.0014 1785 VAL 119 HG21 -0.0095 0.0052 0.0058 1786 VAL 119 HG22 -0.0092 0.0044 0.0013 1787 VAL 119 HG23 -0.0121 0.0025 0.0038 1788 ASP 120 N -0.0091 0.0032 -0.0073 1789 ASP 120 CA -0.0108 0.0020 -0.0073 1790 ASP 120 C -0.0119 0.0021 -0.0053 1791 ASP 120 O -0.0118 0.0027 -0.0039 1792 ASP 120 CB -0.0106 0.0020 -0.0078 1793 ASP 120 CG -0.0124 0.0009 -0.0076 1794 ASP 120 OD1 -0.0137 0.0001 -0.0073 1795 ASP 120 OD2 -0.0123 0.0008 -0.0078 1796 ASP 120 H -0.0084 0.0039 -0.0068 1797 ASP 120 HA -0.0113 0.0013 -0.0083 1798 ASP 120 HB2 -0.0099 0.0019 -0.0091 1799 ASP 120 HB3 -0.0100 0.0028 -0.0069 1800 TYR 121 N -0.0094 -0.0014 -0.0108 1801 TYR 121 CA -0.0105 -0.0002 -0.0118 1802 TYR 121 C -0.0093 0.0011 -0.0123 1803 TYR 121 O -0.0100 0.0023 -0.0132 1804 TYR 121 CB -0.0121 -0.0012 -0.0116 1805 TYR 121 CG -0.0112 -0.0021 -0.0108 1806 TYR 121 CD1 -0.0107 -0.0037 -0.0097 1807 TYR 121 CD2 -0.0110 -0.0012 -0.0113 1808 TYR 121 CE1 -0.0099 -0.0045 -0.0090 1809 TYR 121 CE2 -0.0102 -0.0020 -0.0106 1810 TYR 121 CZ -0.0097 -0.0036 -0.0095 1811 TYR 121 OH -0.0089 -0.0043 -0.0088 1812 TYR 121 H -0.0095 -0.0024 -0.0102 1813 TYR 121 HA -0.0112 0.0004 -0.0123 1814 TYR 121 HB2 -0.0129 -0.0005 -0.0123 1815 TYR 121 HB3 -0.0128 -0.0021 -0.0112 1816 TYR 121 HD1 -0.0108 -0.0043 -0.0094 1817 TYR 121 HD2 -0.0113 -0.0002 -0.0120 1818 TYR 121 HE1 -0.0095 -0.0055 -0.0082 1819 TYR 121 HE2 -0.0100 -0.0014 -0.0109 1820 TYR 121 HH -0.0088 -0.0036 -0.0092 1821 ALA 122 N -0.0173 0.0082 -0.0225 1822 ALA 122 CA -0.0185 0.0150 -0.0199 1823 ALA 122 C -0.0145 0.0191 -0.0146 1824 ALA 122 O -0.0149 0.0249 -0.0120 1825 ALA 122 CB -0.0180 0.0146 -0.0198 1826 ALA 122 H -0.0144 0.0052 -0.0218 1827 ALA 122 HA -0.0227 0.0176 -0.0219 1828 ALA 122 HB1 -0.0195 0.0191 -0.0186 1829 ALA 122 HB2 -0.0205 0.0117 -0.0232 1830 ALA 122 HB3 -0.0138 0.0126 -0.0175 1831 ALA 123 N -0.0090 0.0057 -0.0058 1832 ALA 123 CA -0.0084 0.0038 0.0003 1833 ALA 123 C -0.0020 0.0016 0.0034 1834 ALA 123 O 0.0027 0.0006 0.0037 1835 ALA 123 CB -0.0083 0.0042 -0.0011 1836 ALA 123 H -0.0054 0.0057 -0.0081 1837 ALA 123 HA -0.0122 0.0037 0.0032 1838 ALA 123 HB1 -0.0103 0.0035 0.0027 1839 ALA 123 HB2 -0.0107 0.0058 -0.0049 1840 ALA 123 HB3 -0.0037 0.0035 -0.0018 1841 ILE 124 N 0.0090 -0.0071 0.0066 1842 ILE 124 CA 0.0115 -0.0074 0.0084 1843 ILE 124 C 0.0106 -0.0100 0.0099 1844 ILE 124 O 0.0090 -0.0119 0.0105 1845 ILE 124 CB 0.0138 -0.0072 0.0096 1846 ILE 124 CG1 0.0147 -0.0045 0.0080 1847 ILE 124 CG2 0.0163 -0.0077 0.0115 1848 ILE 124 CD1 0.0161 -0.0043 0.0087 1849 ILE 124 H 0.0086 -0.0079 0.0070 1850 ILE 124 HA 0.0121 -0.0061 0.0077 1851 ILE 124 HB 0.0132 -0.0084 0.0102 1852 ILE 124 HG12 0.0160 -0.0033 0.0078 1853 ILE 124 HG13 0.0130 -0.0040 0.0066 1854 ILE 124 HG21 0.0179 -0.0071 0.0120 1855 ILE 124 HG22 0.0158 -0.0095 0.0127 1856 ILE 124 HG23 0.0166 -0.0068 0.0110 1857 ILE 124 HD11 0.0166 -0.0026 0.0076 1858 ILE 124 HD12 0.0149 -0.0055 0.0089 1859 ILE 124 HD13 0.0178 -0.0048 0.0101 1860 THR 125 N 0.0283 -0.0028 0.0145 1861 THR 125 CA 0.0254 -0.0118 0.0037 1862 THR 125 C 0.0272 -0.0197 -0.0080 1863 THR 125 O 0.0227 -0.0210 -0.0077 1864 THR 125 CB 0.0093 -0.0152 0.0066 1865 THR 125 OG1 0.0079 -0.0087 0.0162 1866 THR 125 CG2 0.0050 -0.0253 -0.0052 1867 THR 125 OXT 0.0331 -0.0251 -0.0182 1868 THR 125 H 0.0218 -0.0032 0.0170 1869 THR 125 HA 0.0322 -0.0107 0.0018 1870 THR 125 HB 0.0026 -0.0155 0.0094 1871 THR 125 HG1 0.0134 -0.0030 0.0214 1872 THR 125 HG21 -0.0032 -0.0264 -0.0028 1873 THR 125 HG22 0.0021 -0.0302 -0.0103 1874 THR 125 HG23 0.0134 -0.0260 -0.0101