1 ALA 8 N 0.0322 0.0234 0.0115 2 ALA 8 CA 0.0327 0.0259 0.0113 3 ALA 8 C 0.0263 0.0175 0.0060 4 ALA 8 O 0.0273 0.0175 0.0073 5 ALA 8 CB 0.0330 0.0399 0.0076 6 ALA 8 HA 0.0378 0.0240 0.0180 7 ALA 8 HB1 0.0332 0.0414 0.0075 8 ALA 8 HB2 0.0377 0.0448 0.0119 9 ALA 8 HB3 0.0281 0.0420 0.0011 10 ASP 9 N 0.0129 0.0110 -0.0007 11 ASP 9 CA 0.0111 0.0070 -0.0034 12 ASP 9 C 0.0108 0.0023 -0.0043 13 ASP 9 O 0.0085 0.0024 -0.0073 14 ASP 9 CB 0.0079 0.0092 -0.0075 15 ASP 9 CG 0.0065 0.0055 -0.0097 16 ASP 9 OD1 0.0083 0.0025 -0.0075 17 ASP 9 OD2 0.0035 0.0055 -0.0137 18 ASP 9 H 0.0128 0.0110 -0.0008 19 ASP 9 HA 0.0124 0.0058 -0.0018 20 ASP 9 HB2 0.0082 0.0125 -0.0069 21 ASP 9 HB3 0.0064 0.0098 -0.0094 22 PHE 10 N 0.0095 -0.0064 -0.0024 23 PHE 10 CA 0.0072 -0.0091 -0.0025 24 PHE 10 C 0.0048 -0.0118 -0.0027 25 PHE 10 O 0.0056 -0.0129 -0.0011 26 PHE 10 CB 0.0088 -0.0108 0.0003 27 PHE 10 CG 0.0101 -0.0090 0.0002 28 PHE 10 CD1 0.0082 -0.0091 -0.0015 29 PHE 10 CD2 0.0133 -0.0073 0.0019 30 PHE 10 CE1 0.0094 -0.0076 -0.0016 31 PHE 10 CE2 0.0146 -0.0057 0.0019 32 PHE 10 CZ 0.0126 -0.0059 0.0001 33 PHE 10 H 0.0112 -0.0067 -0.0006 34 PHE 10 HA 0.0061 -0.0082 -0.0043 35 PHE 10 HB2 0.0105 -0.0109 0.0020 36 PHE 10 HB3 0.0072 -0.0131 0.0007 37 PHE 10 HD1 0.0061 -0.0103 -0.0027 38 PHE 10 HD2 0.0147 -0.0072 0.0032 39 PHE 10 HE1 0.0081 -0.0077 -0.0028 40 PHE 10 HE2 0.0167 -0.0045 0.0030 41 PHE 10 HZ 0.0134 -0.0048 0.0000 42 ILE 11 N -0.0003 -0.0071 -0.0001 43 ILE 11 CA -0.0006 -0.0085 -0.0023 44 ILE 11 C -0.0008 -0.0117 -0.0019 45 ILE 11 O -0.0008 -0.0130 -0.0018 46 ILE 11 CB -0.0010 -0.0076 -0.0053 47 ILE 11 CG1 -0.0009 -0.0044 -0.0058 48 ILE 11 CG2 -0.0014 -0.0092 -0.0076 49 ILE 11 CD1 -0.0008 -0.0031 -0.0056 50 ILE 11 H -0.0003 -0.0077 -0.0002 51 ILE 11 HA -0.0006 -0.0078 -0.0020 52 ILE 11 HB -0.0011 -0.0082 -0.0056 53 ILE 11 HG12 -0.0006 -0.0034 -0.0043 54 ILE 11 HG13 -0.0011 -0.0039 -0.0077 55 ILE 11 HG21 -0.0016 -0.0083 -0.0094 56 ILE 11 HG22 -0.0015 -0.0112 -0.0076 57 ILE 11 HG23 -0.0013 -0.0092 -0.0070 58 ILE 11 HD11 -0.0007 -0.0010 -0.0060 59 ILE 11 HD12 -0.0010 -0.0040 -0.0070 60 ILE 11 HD13 -0.0005 -0.0034 -0.0037 61 GLY 12 N 0.0008 -0.0189 0.0003 62 GLY 12 CA -0.0007 -0.0183 0.0005 63 GLY 12 C -0.0019 -0.0179 0.0008 64 GLY 12 O -0.0019 -0.0183 0.0017 65 GLY 12 H 0.0012 -0.0194 0.0011 66 GLY 12 HA2 -0.0007 -0.0179 -0.0004 67 GLY 12 HA3 -0.0007 -0.0187 0.0014 68 ILE 13 N -0.0031 -0.0129 0.0009 69 ILE 13 CA -0.0044 -0.0124 0.0009 70 ILE 13 C -0.0051 -0.0125 0.0011 71 ILE 13 O -0.0062 -0.0121 0.0011 72 ILE 13 CB -0.0046 -0.0112 0.0003 73 ILE 13 CG1 -0.0039 -0.0104 -0.0003 74 ILE 13 CG2 -0.0041 -0.0111 0.0002 75 ILE 13 CD1 -0.0043 -0.0091 -0.0009 76 ILE 13 H -0.0026 -0.0126 0.0006 77 ILE 13 HA -0.0048 -0.0129 0.0013 78 ILE 13 HB -0.0055 -0.0109 0.0003 79 ILE 13 HG12 -0.0030 -0.0105 -0.0004 80 ILE 13 HG13 -0.0041 -0.0105 -0.0002 81 ILE 13 HG21 -0.0043 -0.0103 -0.0002 82 ILE 13 HG22 -0.0046 -0.0116 0.0005 83 ILE 13 HG23 -0.0032 -0.0114 0.0001 84 ILE 13 HD11 -0.0039 -0.0086 -0.0012 85 ILE 13 HD12 -0.0052 -0.0089 -0.0008 86 ILE 13 HD13 -0.0040 -0.0089 -0.0010 87 GLY 14 N -0.0048 -0.0130 0.0015 88 GLY 14 CA -0.0050 -0.0102 0.0015 89 GLY 14 C -0.0054 -0.0091 -0.0012 90 GLY 14 O -0.0057 -0.0104 -0.0031 91 GLY 14 H -0.0049 -0.0139 0.0003 92 GLY 14 HA2 -0.0049 -0.0099 0.0023 93 GLY 14 HA3 -0.0049 -0.0093 0.0025 94 LYS 15 N -0.0019 -0.0041 -0.0021 95 LYS 15 CA -0.0065 -0.0016 -0.0067 96 LYS 15 C -0.0069 -0.0036 -0.0069 97 LYS 15 O -0.0032 -0.0039 -0.0033 98 LYS 15 CB -0.0063 0.0063 -0.0074 99 LYS 15 CG -0.0067 0.0091 -0.0081 100 LYS 15 CD -0.0061 0.0170 -0.0085 101 LYS 15 CE -0.0097 0.0201 -0.0123 102 LYS 15 NZ -0.0091 0.0279 -0.0126 103 LYS 15 H 0.0006 -0.0011 0.0000 104 LYS 15 HA -0.0094 -0.0036 -0.0092 105 LYS 15 HB2 -0.0031 0.0082 -0.0046 106 LYS 15 HB3 -0.0091 0.0078 -0.0103 107 LYS 15 HG2 -0.0099 0.0076 -0.0110 108 LYS 15 HG3 -0.0040 0.0075 -0.0053 109 LYS 15 HD2 -0.0069 0.0186 -0.0094 110 LYS 15 HD3 -0.0027 0.0186 -0.0054 111 LYS 15 HE2 -0.0090 0.0186 -0.0114 112 LYS 15 HE3 -0.0132 0.0187 -0.0154 113 LYS 15 HZ1 -0.0059 0.0293 -0.0097 114 LYS 15 HZ2 -0.0110 0.0295 -0.0146 115 LYS 15 HZ3 -0.0100 0.0294 -0.0136 116 LEU 16 N -0.0077 -0.0060 -0.0103 117 LEU 16 CA -0.0071 -0.0067 -0.0088 118 LEU 16 C -0.0046 -0.0057 -0.0084 119 LEU 16 O -0.0035 -0.0064 -0.0067 120 LEU 16 CB -0.0085 -0.0069 -0.0096 121 LEU 16 CG -0.0080 -0.0076 -0.0083 122 LEU 16 CD1 -0.0087 -0.0094 -0.0065 123 LEU 16 CD2 -0.0091 -0.0073 -0.0096 124 LEU 16 H -0.0087 -0.0057 -0.0113 125 LEU 16 HA -0.0073 -0.0078 -0.0076 126 LEU 16 HB2 -0.0100 -0.0076 -0.0098 127 LEU 16 HB3 -0.0083 -0.0058 -0.0109 128 LEU 16 HG -0.0064 -0.0070 -0.0079 129 LEU 16 HD11 -0.0083 -0.0098 -0.0057 130 LEU 16 HD12 -0.0079 -0.0096 -0.0057 131 LEU 16 HD13 -0.0103 -0.0099 -0.0069 132 LEU 16 HD21 -0.0087 -0.0076 -0.0088 133 LEU 16 HD22 -0.0107 -0.0079 -0.0099 134 LEU 16 HD23 -0.0087 -0.0061 -0.0108 135 ASP 17 N -0.0078 -0.0021 -0.0105 136 ASP 17 CA -0.0048 -0.0004 -0.0100 137 ASP 17 C -0.0005 -0.0001 -0.0084 138 ASP 17 O 0.0023 0.0010 -0.0077 139 ASP 17 CB -0.0057 0.0036 -0.0120 140 ASP 17 CG -0.0073 0.0064 -0.0137 141 ASP 17 OD1 -0.0103 0.0051 -0.0144 142 ASP 17 OD2 -0.0056 0.0099 -0.0144 143 ASP 17 H -0.0090 -0.0003 -0.0117 144 ASP 17 HA -0.0050 -0.0021 -0.0093 145 ASP 17 HB2 -0.0033 0.0051 -0.0116 146 ASP 17 HB3 -0.0078 0.0031 -0.0126 147 ASP 18 N -0.0064 -0.0013 -0.0043 148 ASP 18 CA -0.0036 -0.0017 -0.0030 149 ASP 18 C -0.0028 -0.0043 -0.0028 150 ASP 18 O -0.0006 -0.0047 -0.0017 151 ASP 18 CB -0.0022 -0.0022 -0.0024 152 ASP 18 CG -0.0025 0.0004 -0.0023 153 ASP 18 OD1 -0.0030 0.0028 -0.0024 154 ASP 18 OD2 -0.0021 -0.0000 -0.0022 155 ASP 18 H -0.0070 -0.0017 -0.0046 156 ASP 18 HA -0.0030 0.0000 -0.0026 157 ASP 18 HB2 -0.0030 -0.0038 -0.0028 158 ASP 18 HB3 -0.0004 -0.0025 -0.0015 159 PHE 19 N -0.0064 -0.0071 -0.0004 160 PHE 19 CA -0.0064 -0.0069 -0.0000 161 PHE 19 C -0.0062 -0.0064 -0.0000 162 PHE 19 O -0.0060 -0.0063 -0.0004 163 PHE 19 CB -0.0066 -0.0072 -0.0001 164 PHE 19 CG -0.0069 -0.0076 0.0000 165 PHE 19 CD1 -0.0071 -0.0077 0.0005 166 PHE 19 CD2 -0.0069 -0.0080 -0.0004 167 PHE 19 CE1 -0.0074 -0.0082 0.0006 168 PHE 19 CE2 -0.0072 -0.0084 -0.0003 169 PHE 19 CZ -0.0074 -0.0085 0.0002 170 PHE 19 H -0.0063 -0.0071 -0.0006 171 PHE 19 HA -0.0066 -0.0069 0.0003 172 PHE 19 HB2 -0.0064 -0.0072 -0.0004 173 PHE 19 HB3 -0.0066 -0.0070 0.0001 174 PHE 19 HD1 -0.0071 -0.0075 0.0007 175 PHE 19 HD2 -0.0068 -0.0079 -0.0007 176 PHE 19 HE1 -0.0075 -0.0082 0.0009 177 PHE 19 HE2 -0.0072 -0.0087 -0.0005 178 PHE 19 HZ -0.0076 -0.0088 0.0002 179 PRO 20 N -0.0083 -0.0060 0.0002 180 PRO 20 CA -0.0077 -0.0058 0.0004 181 PRO 20 C -0.0073 -0.0051 0.0009 182 PRO 20 O -0.0078 -0.0046 0.0011 183 PRO 20 CB -0.0080 -0.0058 0.0004 184 PRO 20 CG -0.0088 -0.0062 0.0000 185 PRO 20 CD -0.0091 -0.0060 0.0001 186 PRO 20 HA -0.0072 -0.0062 0.0003 187 PRO 20 HB2 -0.0082 -0.0053 0.0006 188 PRO 20 HB3 -0.0077 -0.0060 0.0003 189 PRO 20 HG2 -0.0092 -0.0060 0.0001 190 PRO 20 HG3 -0.0086 -0.0067 -0.0002 191 PRO 20 HD2 -0.0094 -0.0056 0.0003 192 PRO 20 HD3 -0.0094 -0.0064 -0.0002 193 VAL 21 N -0.0112 -0.0081 0.0037 194 VAL 21 CA -0.0095 -0.0054 0.0045 195 VAL 21 C -0.0114 -0.0029 0.0044 196 VAL 21 O -0.0126 -0.0033 0.0041 197 VAL 21 CB -0.0066 -0.0060 0.0052 198 VAL 21 CG1 -0.0051 -0.0031 0.0059 199 VAL 21 CG2 -0.0046 -0.0080 0.0053 200 VAL 21 H -0.0104 -0.0096 0.0037 201 VAL 21 HA -0.0091 -0.0047 0.0047 202 VAL 21 HB -0.0069 -0.0071 0.0049 203 VAL 21 HG11 -0.0031 -0.0035 0.0064 204 VAL 21 HG12 -0.0061 -0.0022 0.0058 205 VAL 21 HG13 -0.0053 -0.0017 0.0061 206 VAL 21 HG21 -0.0027 -0.0084 0.0057 207 VAL 21 HG22 -0.0042 -0.0070 0.0056 208 VAL 21 HG23 -0.0056 -0.0099 0.0048 209 GLY 22 N -0.0120 -0.0006 0.0054 210 GLY 22 CA -0.0126 0.0004 0.0048 211 GLY 22 C -0.0136 0.0003 0.0051 212 GLY 22 O -0.0141 0.0011 0.0046 213 GLY 22 H -0.0113 -0.0008 0.0053 214 GLY 22 HA2 -0.0120 0.0007 0.0043 215 GLY 22 HA3 -0.0131 0.0008 0.0046 216 ILE 23 N -0.0109 0.0002 0.0011 217 ILE 23 CA -0.0101 0.0002 0.0021 218 ILE 23 C -0.0102 -0.0007 0.0023 219 ILE 23 O -0.0104 -0.0004 0.0018 220 ILE 23 CB -0.0096 0.0016 0.0023 221 ILE 23 CG1 -0.0095 0.0024 0.0021 222 ILE 23 CG2 -0.0087 0.0016 0.0034 223 ILE 23 CD1 -0.0088 0.0037 0.0024 224 ILE 23 H -0.0112 0.0004 0.0006 225 ILE 23 HA -0.0098 -0.0001 0.0026 226 ILE 23 HB -0.0098 0.0019 0.0018 227 ILE 23 HG12 -0.0093 0.0020 0.0025 228 ILE 23 HG13 -0.0100 0.0026 0.0013 229 ILE 23 HG21 -0.0084 0.0024 0.0034 230 ILE 23 HG22 -0.0088 0.0011 0.0034 231 ILE 23 HG23 -0.0084 0.0012 0.0039 232 ILE 23 HD11 -0.0089 0.0042 0.0021 233 ILE 23 HD12 -0.0089 0.0041 0.0022 234 ILE 23 HD13 -0.0083 0.0036 0.0032 235 PRO 24 N -0.0098 -0.0012 0.0009 236 PRO 24 CA -0.0097 -0.0014 0.0010 237 PRO 24 C -0.0094 -0.0011 0.0012 238 PRO 24 O -0.0092 -0.0009 0.0013 239 PRO 24 CB -0.0096 -0.0018 0.0011 240 PRO 24 CG -0.0097 -0.0020 0.0010 241 PRO 24 CD -0.0097 -0.0016 0.0010 242 PRO 24 HA -0.0100 -0.0014 0.0008 243 PRO 24 HB2 -0.0093 -0.0018 0.0013 244 PRO 24 HB3 -0.0096 -0.0020 0.0011 245 PRO 24 HG2 -0.0096 -0.0022 0.0011 246 PRO 24 HG3 -0.0100 -0.0021 0.0008 247 PRO 24 HD2 -0.0095 -0.0015 0.0011 248 PRO 24 HD3 -0.0099 -0.0016 0.0009 249 LYS 25 N -0.0097 -0.0033 0.0009 250 LYS 25 CA -0.0103 -0.0041 0.0014 251 LYS 25 C -0.0100 -0.0044 0.0015 252 LYS 25 O -0.0090 -0.0044 0.0013 253 LYS 25 CB -0.0100 -0.0050 0.0018 254 LYS 25 CG -0.0104 -0.0049 0.0019 255 LYS 25 CD -0.0117 -0.0048 0.0021 256 LYS 25 CE -0.0122 -0.0044 0.0020 257 LYS 25 NZ -0.0129 -0.0051 0.0025 258 LYS 25 H -0.0091 -0.0033 0.0008 259 LYS 25 HA -0.0111 -0.0039 0.0015 260 LYS 25 HB2 -0.0092 -0.0051 0.0017 261 LYS 25 HB3 -0.0102 -0.0056 0.0022 262 LYS 25 HG2 -0.0102 -0.0043 0.0015 263 LYS 25 HG3 -0.0102 -0.0055 0.0021 264 LYS 25 HD2 -0.0119 -0.0055 0.0025 265 LYS 25 HD3 -0.0119 -0.0044 0.0020 266 LYS 25 HE2 -0.0127 -0.0038 0.0018 267 LYS 25 HE3 -0.0116 -0.0043 0.0018 268 LYS 25 HZ1 -0.0132 -0.0048 0.0025 269 LYS 25 HZ2 -0.0125 -0.0057 0.0027 270 LYS 25 HZ3 -0.0134 -0.0052 0.0027 271 LYS 26 N -0.0086 -0.0049 0.0015 272 LYS 26 CA -0.0074 -0.0035 0.0011 273 LYS 26 C -0.0070 -0.0027 0.0022 274 LYS 26 O -0.0074 -0.0032 0.0024 275 LYS 26 CB -0.0072 -0.0036 -0.0009 276 LYS 26 CG -0.0060 -0.0023 -0.0018 277 LYS 26 CD -0.0060 -0.0027 -0.0038 278 LYS 26 CE -0.0068 -0.0038 -0.0046 279 LYS 26 NZ -0.0062 -0.0036 -0.0064 280 LYS 26 H -0.0090 -0.0054 0.0011 281 LYS 26 HA -0.0070 -0.0029 0.0012 282 LYS 26 HB2 -0.0076 -0.0042 -0.0015 283 LYS 26 HB3 -0.0074 -0.0039 -0.0010 284 LYS 26 HG2 -0.0056 -0.0018 -0.0015 285 LYS 26 HG3 -0.0056 -0.0018 -0.0013 286 LYS 26 HD2 -0.0052 -0.0018 -0.0043 287 LYS 26 HD3 -0.0061 -0.0029 -0.0040 288 LYS 26 HE2 -0.0075 -0.0047 -0.0046 289 LYS 26 HE3 -0.0069 -0.0039 -0.0039 290 LYS 26 HZ1 -0.0058 -0.0031 -0.0069 291 LYS 26 HZ2 -0.0068 -0.0044 -0.0071 292 LYS 26 HZ3 -0.0058 -0.0031 -0.0064 293 VAL 27 N -0.0067 -0.0067 0.0002 294 VAL 27 CA -0.0060 -0.0070 0.0017 295 VAL 27 C -0.0044 -0.0068 0.0016 296 VAL 27 O -0.0036 -0.0065 0.0004 297 VAL 27 CB -0.0059 -0.0072 0.0027 298 VAL 27 CG1 -0.0076 -0.0074 0.0029 299 VAL 27 CG2 -0.0049 -0.0069 0.0019 300 VAL 27 H -0.0061 -0.0065 -0.0004 301 VAL 27 HA -0.0066 -0.0071 0.0022 302 VAL 27 HB -0.0055 -0.0074 0.0037 303 VAL 27 HG11 -0.0075 -0.0075 0.0036 304 VAL 27 HG12 -0.0082 -0.0075 0.0034 305 VAL 27 HG13 -0.0080 -0.0072 0.0019 306 VAL 27 HG21 -0.0050 -0.0070 0.0024 307 VAL 27 HG22 -0.0053 -0.0067 0.0008 308 VAL 27 HG23 -0.0038 -0.0068 0.0020 309 ALA 28 N 0.0009 -0.0056 -0.0010 310 ALA 28 CA 0.0028 -0.0055 -0.0009 311 ALA 28 C 0.0015 -0.0054 -0.0009 312 ALA 28 O -0.0006 -0.0045 -0.0003 313 ALA 28 CB 0.0044 -0.0036 0.0005 314 ALA 28 H 0.0007 -0.0044 -0.0002 315 ALA 28 HA 0.0039 -0.0068 -0.0018 316 ALA 28 HB1 0.0057 -0.0035 0.0006 317 ALA 28 HB2 0.0053 -0.0036 0.0005 318 ALA 28 HB3 0.0033 -0.0024 0.0014 319 VAL 29 N 0.0034 -0.0037 -0.0026 320 VAL 29 CA 0.0025 -0.0037 -0.0028 321 VAL 29 C 0.0032 -0.0033 -0.0026 322 VAL 29 O 0.0041 -0.0040 -0.0025 323 VAL 29 CB 0.0019 -0.0050 -0.0032 324 VAL 29 CG1 0.0009 -0.0049 -0.0033 325 VAL 29 CG2 0.0013 -0.0054 -0.0034 326 VAL 29 H 0.0040 -0.0042 -0.0026 327 VAL 29 HA 0.0018 -0.0031 -0.0028 328 VAL 29 HB 0.0025 -0.0056 -0.0031 329 VAL 29 HG11 0.0004 -0.0056 -0.0036 330 VAL 29 HG12 0.0013 -0.0047 -0.0032 331 VAL 29 HG13 0.0003 -0.0041 -0.0033 332 VAL 29 HG21 0.0008 -0.0062 -0.0036 333 VAL 29 HG22 0.0007 -0.0047 -0.0033 334 VAL 29 HG23 0.0019 -0.0055 -0.0033 335 THR 30 N 0.0066 -0.0014 -0.0087 336 THR 30 CA 0.0068 -0.0003 -0.0092 337 THR 30 C 0.0043 0.0002 -0.0099 338 THR 30 O 0.0031 0.0016 -0.0109 339 THR 30 CB 0.0086 0.0019 -0.0100 340 THR 30 OG1 0.0077 0.0032 -0.0109 341 THR 30 CG2 0.0112 0.0013 -0.0092 342 THR 30 H 0.0057 -0.0007 -0.0092 343 THR 30 HA 0.0075 -0.0013 -0.0086 344 THR 30 HB 0.0086 0.0027 -0.0104 345 THR 30 HG1 0.0063 0.0037 -0.0114 346 THR 30 HG21 0.0123 0.0026 -0.0097 347 THR 30 HG22 0.0118 0.0002 -0.0086 348 THR 30 HG23 0.0112 0.0007 -0.0089 349 SER 31 N 0.0085 0.0130 -0.0071 350 SER 31 CA 0.0049 0.0143 -0.0078 351 SER 31 C 0.0069 0.0189 -0.0079 352 SER 31 O 0.0114 0.0194 -0.0073 353 SER 31 CB 0.0041 0.0099 -0.0074 354 SER 31 OG 0.0010 0.0113 -0.0081 355 SER 31 H 0.0104 0.0106 -0.0066 356 SER 31 HA 0.0017 0.0151 -0.0083 357 SER 31 HB2 0.0026 0.0071 -0.0074 358 SER 31 HB3 0.0074 0.0089 -0.0069 359 SER 31 HG 0.0006 0.0088 -0.0079 360 SER 32 N 0.0132 0.0383 -0.0105 361 SER 32 CA 0.0128 0.0457 -0.0163 362 SER 32 C 0.0066 0.0329 -0.0114 363 SER 32 O 0.0096 0.0372 -0.0124 364 SER 32 CB 0.0020 0.0563 -0.0323 365 SER 32 OG -0.0137 0.0474 -0.0373 366 SER 32 H 0.0057 0.0386 -0.0164 367 SER 32 HA 0.0239 0.0529 -0.0134 368 SER 32 HB2 0.0004 0.0598 -0.0360 369 SER 32 HB3 0.0074 0.0659 -0.0353 370 SER 32 HG -0.0192 0.0536 -0.0460 371 LYS 33 N 0.0016 0.0174 -0.0125 372 LYS 33 CA -0.0024 0.0104 -0.0109 373 LYS 33 C -0.0002 0.0085 -0.0034 374 LYS 33 O 0.0037 0.0108 0.0019 375 LYS 33 CB -0.0056 0.0057 -0.0111 376 LYS 33 CG -0.0089 0.0060 -0.0190 377 LYS 33 CD -0.0107 0.0034 -0.0190 378 LYS 33 CE -0.0147 0.0026 -0.0268 379 LYS 33 NZ -0.0148 0.0032 -0.0279 380 LYS 33 H 0.0021 0.0179 -0.0122 381 LYS 33 HA -0.0045 0.0097 -0.0147 382 LYS 33 HB2 -0.0034 0.0070 -0.0082 383 LYS 33 HB3 -0.0077 0.0010 -0.0090 384 LYS 33 HG2 -0.0119 0.0033 -0.0215 385 LYS 33 HG3 -0.0070 0.0107 -0.0218 386 LYS 33 HD2 -0.0078 0.0066 -0.0175 387 LYS 33 HD3 -0.0121 -0.0011 -0.0156 388 LYS 33 HE2 -0.0179 -0.0018 -0.0274 389 LYS 33 HE3 -0.0140 0.0062 -0.0305 390 LYS 33 HZ1 -0.0171 0.0028 -0.0325 391 LYS 33 HZ2 -0.0118 0.0073 -0.0274 392 LYS 33 HZ3 -0.0155 -0.0000 -0.0246 393 MET 34 N 0.0045 -0.0125 0.0219 394 MET 34 CA 0.0016 -0.0150 0.0315 395 MET 34 C 0.0107 -0.0197 0.0268 396 MET 34 O 0.0104 -0.0237 0.0353 397 MET 34 CB 0.0013 -0.0223 0.0468 398 MET 34 CG -0.0093 -0.0174 0.0537 399 MET 34 SD -0.0239 -0.0106 0.0629 400 MET 34 CE -0.0307 0.0018 0.0484 401 MET 34 H 0.0118 -0.0179 0.0214 402 MET 34 HA -0.0068 -0.0084 0.0315 403 MET 34 HB2 0.0092 -0.0284 0.0466 404 MET 34 HB3 0.0001 -0.0244 0.0529 405 MET 34 HG2 -0.0110 -0.0125 0.0462 406 MET 34 HG3 -0.0066 -0.0229 0.0606 407 MET 34 HE1 -0.0398 0.0070 0.0522 408 MET 34 HE2 -0.0269 0.0013 0.0434 409 MET 34 HE3 -0.0291 0.0038 0.0418 410 ASP 35 N 0.0056 -0.0097 0.0115 411 ASP 35 CA 0.0090 -0.0100 0.0087 412 ASP 35 C 0.0057 -0.0072 0.0060 413 ASP 35 O 0.0013 -0.0046 0.0051 414 ASP 35 CB 0.0133 -0.0102 0.0046 415 ASP 35 CG 0.0111 -0.0072 0.0005 416 ASP 35 OD1 0.0090 -0.0068 0.0018 417 ASP 35 OD2 0.0112 -0.0052 -0.0040 418 ASP 35 H 0.0060 -0.0091 0.0099 419 ASP 35 HA 0.0106 -0.0119 0.0112 420 ASP 35 HB2 0.0155 -0.0105 0.0029 421 ASP 35 HB3 0.0153 -0.0120 0.0064 422 ALA 36 N -0.0032 0.0075 0.0011 423 ALA 36 CA -0.0097 0.0120 -0.0046 424 ALA 36 C -0.0050 0.0129 0.0004 425 ALA 36 O -0.0082 0.0083 -0.0038 426 ALA 36 CB -0.0151 0.0250 -0.0076 427 ALA 36 H -0.0035 0.0127 0.0019 428 ALA 36 HA -0.0140 0.0057 -0.0102 429 ALA 36 HB1 -0.0194 0.0279 -0.0114 430 ALA 36 HB2 -0.0184 0.0239 -0.0112 431 ALA 36 HB3 -0.0108 0.0311 -0.0020 432 TRP 37 N -0.0057 0.0090 0.0034 433 TRP 37 CA -0.0040 0.0081 0.0062 434 TRP 37 C -0.0010 0.0064 0.0056 435 TRP 37 O 0.0010 0.0053 0.0066 436 TRP 37 CB -0.0051 0.0087 0.0088 437 TRP 37 CG -0.0034 0.0078 0.0119 438 TRP 37 CD1 -0.0039 0.0080 0.0144 439 TRP 37 CD2 -0.0011 0.0064 0.0128 440 TRP 37 NE1 -0.0020 0.0069 0.0168 441 TRP 37 CE2 -0.0002 0.0059 0.0159 442 TRP 37 CE3 0.0003 0.0056 0.0114 443 TRP 37 CZ2 0.0020 0.0047 0.0175 444 TRP 37 CZ3 0.0026 0.0043 0.0130 445 TRP 37 CH2 0.0034 0.0039 0.0160 446 TRP 37 H -0.0071 0.0098 0.0035 447 TRP 37 HA -0.0040 0.0081 0.0069 448 TRP 37 HB2 -0.0070 0.0098 0.0093 449 TRP 37 HB3 -0.0051 0.0087 0.0081 450 TRP 37 HD1 -0.0052 0.0088 0.0144 451 TRP 37 HE1 -0.0019 0.0069 0.0185 452 TRP 37 HE3 -0.0002 0.0059 0.0094 453 TRP 37 HZ2 0.0025 0.0044 0.0195 454 TRP 37 HZ3 0.0036 0.0038 0.0120 455 TRP 37 HH2 0.0049 0.0030 0.0170 456 ASN 38 N -0.0000 -0.0008 0.0029 457 ASN 38 CA 0.0014 0.0004 0.0022 458 ASN 38 C 0.0023 0.0011 0.0029 459 ASN 38 O 0.0036 0.0021 0.0033 460 ASN 38 CB 0.0013 0.0004 0.0000 461 ASN 38 CG 0.0014 0.0005 -0.0008 462 ASN 38 OD1 0.0025 0.0014 -0.0007 463 ASN 38 ND2 0.0002 -0.0005 -0.0017 464 ASN 38 H -0.0007 -0.0014 0.0021 465 ASN 38 HA 0.0019 0.0008 0.0026 466 ASN 38 HB2 0.0004 -0.0003 -0.0004 467 ASN 38 HB3 0.0022 0.0011 -0.0004 468 ASN 38 HD21 0.0001 -0.0005 -0.0022 469 ASN 38 HD22 -0.0006 -0.0011 -0.0018 470 ILE 39 N 0.0004 -0.0035 -0.0007 471 ILE 39 CA -0.0033 -0.0076 -0.0070 472 ILE 39 C -0.0050 -0.0063 -0.0100 473 ILE 39 O -0.0063 -0.0115 -0.0123 474 ILE 39 CB -0.0061 -0.0053 -0.0119 475 ILE 39 CG1 -0.0045 -0.0073 -0.0091 476 ILE 39 CG2 -0.0099 -0.0093 -0.0185 477 ILE 39 CD1 -0.0068 -0.0036 -0.0131 478 ILE 39 H 0.0005 0.0000 -0.0006 479 ILE 39 HA -0.0028 -0.0131 -0.0062 480 ILE 39 HB -0.0064 0.0003 -0.0125 481 ILE 39 HG12 -0.0045 -0.0128 -0.0092 482 ILE 39 HG13 -0.0018 -0.0054 -0.0046 483 ILE 39 HG21 -0.0115 -0.0086 -0.0213 484 ILE 39 HG22 -0.0111 -0.0071 -0.0206 485 ILE 39 HG23 -0.0095 -0.0147 -0.0177 486 ILE 39 HD11 -0.0055 -0.0047 -0.0108 487 ILE 39 HD12 -0.0069 0.0018 -0.0134 488 ILE 39 HD13 -0.0093 -0.0059 -0.0175 489 PHE 40 N -0.0038 -0.0025 -0.0077 490 PHE 40 CA -0.0039 0.0006 -0.0027 491 PHE 40 C 0.0045 -0.0012 0.0034 492 PHE 40 O 0.0076 -0.0030 0.0039 493 PHE 40 CB -0.0103 0.0077 0.0020 494 PHE 40 CG -0.0107 0.0116 0.0080 495 PHE 40 CD1 -0.0158 0.0133 0.0053 496 PHE 40 CD2 -0.0063 0.0137 0.0163 497 PHE 40 CE1 -0.0162 0.0169 0.0109 498 PHE 40 CE2 -0.0067 0.0173 0.0219 499 PHE 40 CZ -0.0119 0.0190 0.0190 500 PHE 40 H -0.0071 0.0001 -0.0070 501 PHE 40 HA -0.0054 -0.0005 -0.0062 502 PHE 40 HB2 -0.0157 0.0088 -0.0021 503 PHE 40 HB3 -0.0090 0.0087 0.0051 504 PHE 40 HD1 -0.0189 0.0119 -0.0003 505 PHE 40 HD2 -0.0030 0.0126 0.0182 506 PHE 40 HE1 -0.0194 0.0180 0.0091 507 PHE 40 HE2 -0.0036 0.0186 0.0275 508 PHE 40 HZ -0.0125 0.0218 0.0229 509 GLU 41 N 0.0098 -0.0009 0.0085 510 GLU 41 CA 0.0135 -0.0018 0.0113 511 GLU 41 C 0.0171 -0.0041 0.0090 512 GLU 41 O 0.0202 -0.0050 0.0109 513 GLU 41 CB 0.0136 -0.0012 0.0134 514 GLU 41 CG 0.0151 -0.0005 0.0182 515 GLU 41 CD 0.0123 0.0016 0.0208 516 GLU 41 OE1 0.0089 0.0026 0.0191 517 GLU 41 OE2 0.0135 0.0022 0.0246 518 GLU 41 H 0.0083 -0.0004 0.0081 519 GLU 41 HA 0.0135 -0.0011 0.0135 520 GLU 41 HB2 0.0109 -0.0001 0.0131 521 GLU 41 HB3 0.0154 -0.0024 0.0120 522 GLU 41 HG2 0.0154 -0.0003 0.0192 523 GLU 41 HG3 0.0177 -0.0015 0.0186 524 GLY 42 N 0.0159 -0.0076 0.0044 525 GLY 42 CA 0.0193 -0.0103 0.0019 526 GLY 42 C 0.0210 -0.0116 0.0003 527 GLY 42 O 0.0244 -0.0141 -0.0001 528 GLY 42 H 0.0139 -0.0062 0.0030 529 GLY 42 HA2 0.0213 -0.0116 0.0039 530 GLY 42 HA3 0.0188 -0.0101 -0.0009 531 LEU 43 N 0.0247 -0.0146 -0.0040 532 LEU 43 CA 0.0230 -0.0144 -0.0051 533 LEU 43 C 0.0268 -0.0096 0.0059 534 LEU 43 O 0.0297 -0.0110 0.0058 535 LEU 43 CB 0.0099 -0.0114 -0.0099 536 LEU 43 CG 0.0050 -0.0163 -0.0217 537 LEU 43 CD1 -0.0084 -0.0116 -0.0241 538 LEU 43 CD2 0.0092 -0.0232 -0.0302 539 LEU 43 H 0.0183 -0.0116 -0.0038 540 LEU 43 HA 0.0277 -0.0196 -0.0102 541 LEU 43 HB2 0.0052 -0.0064 -0.0051 542 LEU 43 HB3 0.0087 -0.0109 -0.0099 543 LEU 43 HG 0.0078 -0.0180 -0.0225 544 LEU 43 HD11 -0.0114 -0.0149 -0.0317 545 LEU 43 HD12 -0.0110 -0.0074 -0.0189 546 LEU 43 HD13 -0.0114 -0.0097 -0.0232 547 LEU 43 HD21 0.0059 -0.0263 -0.0377 548 LEU 43 HD22 0.0065 -0.0215 -0.0293 549 LEU 43 HD23 0.0178 -0.0263 -0.0288 550 VAL 44 N 0.0218 -0.0056 0.0138 551 VAL 44 CA 0.0226 -0.0065 0.0163 552 VAL 44 C 0.0237 -0.0065 0.0167 553 VAL 44 O 0.0256 -0.0069 0.0180 554 VAL 44 CB 0.0203 -0.0071 0.0180 555 VAL 44 CG1 0.0179 -0.0069 0.0171 556 VAL 44 CG2 0.0210 -0.0080 0.0206 557 VAL 44 H 0.0204 -0.0055 0.0134 558 VAL 44 HA 0.0239 -0.0066 0.0167 559 VAL 44 HB 0.0200 -0.0072 0.0181 560 VAL 44 HG11 0.0169 -0.0074 0.0185 561 VAL 44 HG12 0.0169 -0.0067 0.0162 562 VAL 44 HG13 0.0184 -0.0066 0.0161 563 VAL 44 HG21 0.0198 -0.0084 0.0217 564 VAL 44 HG22 0.0208 -0.0080 0.0206 565 VAL 44 HG23 0.0227 -0.0080 0.0210 566 VAL 44 N 0.0218 -0.0056 0.0138 567 VAL 44 CA 0.0224 -0.0065 0.0163 568 VAL 44 C 0.0234 -0.0066 0.0168 569 VAL 44 O 0.0250 -0.0071 0.0185 570 VAL 44 CB 0.0202 -0.0071 0.0180 571 VAL 44 CG1 0.0195 -0.0071 0.0179 572 VAL 44 CG2 0.0179 -0.0071 0.0175 573 VAL 44 H 0.0204 -0.0055 0.0133 574 VAL 44 HA 0.0238 -0.0065 0.0167 575 VAL 44 HB 0.0207 -0.0077 0.0197 576 VAL 44 HG11 0.0195 -0.0077 0.0195 577 VAL 44 HG12 0.0207 -0.0067 0.0169 578 VAL 44 HG13 0.0178 -0.0069 0.0171 579 VAL 44 HG21 0.0164 -0.0073 0.0180 580 VAL 44 HG22 0.0178 -0.0065 0.0158 581 VAL 44 HG23 0.0181 -0.0073 0.0184 582 MET 45 N 0.0128 -0.0008 0.0095 583 MET 45 CA 0.0132 0.0006 0.0078 584 MET 45 C 0.0131 0.0002 0.0083 585 MET 45 O 0.0143 -0.0004 0.0071 586 MET 45 CB 0.0150 0.0001 0.0057 587 MET 45 CG 0.0153 0.0005 0.0049 588 MET 45 SD 0.0147 0.0033 0.0034 589 MET 45 CE 0.0162 0.0037 0.0010 590 MET 45 H 0.0135 -0.0022 0.0098 591 MET 45 HA 0.0124 0.0022 0.0076 592 MET 45 HB2 0.0158 -0.0015 0.0059 593 MET 45 HB3 0.0152 0.0010 0.0046 594 MET 45 HG2 0.0147 0.0000 0.0061 595 MET 45 HG3 0.0165 -0.0005 0.0040 596 MET 45 HE1 0.0160 0.0051 0.0000 597 MET 45 HE2 0.0173 0.0025 0.0003 598 MET 45 HE3 0.0160 0.0036 0.0013 599 GLY 46 N 0.0138 -0.0079 0.0064 600 GLY 46 CA 0.0136 -0.0073 0.0067 601 GLY 46 C 0.0130 -0.0050 0.0063 602 GLY 46 O 0.0128 -0.0044 0.0067 603 GLY 46 H 0.0135 -0.0074 0.0075 604 GLY 46 HA2 0.0139 -0.0082 0.0057 605 GLY 46 HA3 0.0136 -0.0077 0.0083 606 SER 47 N 0.0035 -0.0010 0.0030 607 SER 47 CA 0.0021 -0.0008 0.0030 608 SER 47 C 0.0021 -0.0001 0.0016 609 SER 47 O 0.0027 0.0004 0.0004 610 SER 47 CB 0.0004 -0.0007 0.0033 611 SER 47 OG 0.0004 -0.0001 0.0022 612 SER 47 H 0.0038 -0.0006 0.0021 613 SER 47 HA 0.0022 -0.0012 0.0039 614 SER 47 HB2 -0.0005 -0.0005 0.0032 615 SER 47 HB3 0.0004 -0.0011 0.0043 616 SER 47 HG 0.0001 -0.0003 0.0026 617 VAL 48 N -0.0034 -0.0014 -0.0007 618 VAL 48 CA -0.0031 -0.0009 -0.0012 619 VAL 48 C -0.0043 -0.0013 -0.0012 620 VAL 48 O -0.0050 -0.0021 -0.0006 621 VAL 48 CB -0.0018 -0.0010 -0.0005 622 VAL 48 CG1 -0.0006 -0.0005 -0.0006 623 VAL 48 CG2 -0.0019 -0.0020 0.0007 624 VAL 48 H -0.0037 -0.0020 -0.0002 625 VAL 48 HA -0.0031 -0.0002 -0.0019 626 VAL 48 HB -0.0017 -0.0007 -0.0008 627 VAL 48 HG11 0.0002 -0.0006 -0.0002 628 VAL 48 HG12 -0.0006 0.0002 -0.0013 629 VAL 48 HG13 -0.0007 -0.0008 -0.0003 630 VAL 48 HG21 -0.0011 -0.0021 0.0011 631 VAL 48 HG22 -0.0021 -0.0024 0.0009 632 VAL 48 HG23 -0.0026 -0.0023 0.0007 633 TRP 49 N -0.0052 0.0008 0.0002 634 TRP 49 CA -0.0058 0.0001 0.0003 635 TRP 49 C -0.0062 0.0001 0.0011 636 TRP 49 O -0.0060 0.0003 0.0013 637 TRP 49 CB -0.0060 -0.0004 -0.0005 638 TRP 49 CG -0.0058 -0.0006 -0.0013 639 TRP 49 CD1 -0.0054 -0.0004 -0.0021 640 TRP 49 CD2 -0.0062 -0.0010 -0.0015 641 TRP 49 NE1 -0.0054 -0.0007 -0.0027 642 TRP 49 CE2 -0.0059 -0.0011 -0.0023 643 TRP 49 CE3 -0.0067 -0.0014 -0.0010 644 TRP 49 CZ2 -0.0061 -0.0015 -0.0027 645 TRP 49 CZ3 -0.0069 -0.0018 -0.0014 646 TRP 49 CH2 -0.0066 -0.0018 -0.0022 647 TRP 49 H -0.0050 0.0009 -0.0000 648 TRP 49 HA -0.0060 -0.0000 0.0003 649 TRP 49 HB2 -0.0058 -0.0002 -0.0006 650 TRP 49 HB3 -0.0064 -0.0008 -0.0003 651 TRP 49 HD1 -0.0051 -0.0001 -0.0021 652 TRP 49 HE1 -0.0051 -0.0006 -0.0032 653 TRP 49 HE3 -0.0069 -0.0014 -0.0004 654 TRP 49 HZ2 -0.0058 -0.0015 -0.0033 655 TRP 49 HZ3 -0.0072 -0.0020 -0.0010 656 TRP 49 HH2 -0.0067 -0.0021 -0.0025 657 VAL 50 N -0.0088 -0.0039 0.0012 658 VAL 50 CA -0.0083 -0.0040 0.0013 659 VAL 50 C -0.0084 -0.0038 0.0011 660 VAL 50 O -0.0090 -0.0039 0.0012 661 VAL 50 CB -0.0082 -0.0047 0.0016 662 VAL 50 CG1 -0.0076 -0.0049 0.0017 663 VAL 50 CG2 -0.0081 -0.0050 0.0017 664 VAL 50 H -0.0092 -0.0040 0.0013 665 VAL 50 HA -0.0079 -0.0039 0.0012 666 VAL 50 HB -0.0086 -0.0049 0.0017 667 VAL 50 HG11 -0.0075 -0.0053 0.0019 668 VAL 50 HG12 -0.0077 -0.0048 0.0016 669 VAL 50 HG13 -0.0072 -0.0047 0.0015 670 VAL 50 HG21 -0.0080 -0.0055 0.0020 671 VAL 50 HG22 -0.0077 -0.0048 0.0016 672 VAL 50 HG23 -0.0085 -0.0050 0.0017 673 ILE 51 N -0.0101 -0.0029 0.0042 674 ILE 51 CA -0.0100 -0.0032 0.0044 675 ILE 51 C -0.0099 -0.0033 0.0048 676 ILE 51 O -0.0098 -0.0031 0.0050 677 ILE 51 CB -0.0100 -0.0031 0.0043 678 ILE 51 CG1 -0.0101 -0.0029 0.0039 679 ILE 51 CG2 -0.0100 -0.0035 0.0044 680 ILE 51 CD1 -0.0101 -0.0025 0.0040 681 ILE 51 H -0.0100 -0.0027 0.0044 682 ILE 51 HA -0.0101 -0.0034 0.0042 683 ILE 51 HB -0.0100 -0.0029 0.0045 684 ILE 51 HG12 -0.0102 -0.0031 0.0038 685 ILE 51 HG13 -0.0102 -0.0030 0.0038 686 ILE 51 HG21 -0.0100 -0.0034 0.0044 687 ILE 51 HG22 -0.0099 -0.0036 0.0046 688 ILE 51 HG23 -0.0101 -0.0037 0.0042 689 ILE 51 HD11 -0.0102 -0.0024 0.0037 690 ILE 51 HD12 -0.0101 -0.0024 0.0041 691 ILE 51 HD13 -0.0101 -0.0025 0.0041 692 ARG 52 N -0.0097 -0.0048 0.0033 693 ARG 52 CA -0.0075 -0.0055 0.0032 694 ARG 52 C -0.0057 -0.0044 0.0042 695 ARG 52 O -0.0058 -0.0039 0.0045 696 ARG 52 CB -0.0070 -0.0076 0.0018 697 ARG 52 CG -0.0047 -0.0086 0.0015 698 ARG 52 CD -0.0045 -0.0106 0.0002 699 ARG 52 NE -0.0023 -0.0116 -0.0002 700 ARG 52 CZ -0.0017 -0.0133 -0.0012 701 ARG 52 NH1 -0.0031 -0.0142 -0.0020 702 ARG 52 NH2 0.0003 -0.0142 -0.0015 703 ARG 52 H -0.0102 -0.0055 0.0028 704 ARG 52 HA -0.0074 -0.0054 0.0032 705 ARG 52 HB2 -0.0082 -0.0083 0.0012 706 ARG 52 HB3 -0.0071 -0.0077 0.0018 707 ARG 52 HG2 -0.0035 -0.0079 0.0022 708 ARG 52 HG3 -0.0047 -0.0088 0.0014 709 ARG 52 HD2 -0.0057 -0.0113 -0.0004 710 ARG 52 HD3 -0.0046 -0.0104 0.0003 711 ARG 52 HE -0.0014 -0.0111 0.0003 712 ARG 52 HH11 -0.0044 -0.0137 -0.0019 713 ARG 52 HH12 -0.0027 -0.0153 -0.0027 714 ARG 52 HH21 0.0012 -0.0136 -0.0010 715 ARG 52 HH22 0.0007 -0.0153 -0.0022 716 GLN 53 N -0.0037 -0.0038 0.0061 717 GLN 53 CA -0.0015 -0.0019 0.0073 718 GLN 53 C 0.0012 -0.0026 0.0059 719 GLN 53 O 0.0014 -0.0045 0.0042 720 GLN 53 CB -0.0015 -0.0010 0.0080 721 GLN 53 CG -0.0044 -0.0009 0.0089 722 GLN 53 CD -0.0056 0.0009 0.0108 723 GLN 53 OE1 -0.0041 0.0027 0.0120 724 GLN 53 NE2 -0.0083 0.0005 0.0112 725 GLN 53 H -0.0038 -0.0046 0.0054 726 GLN 53 HA -0.0019 -0.0007 0.0084 727 GLN 53 HB2 -0.0007 -0.0020 0.0069 728 GLN 53 HB3 -0.0004 0.0004 0.0090 729 GLN 53 HG2 -0.0057 -0.0022 0.0081 730 GLN 53 HG3 -0.0043 -0.0006 0.0092 731 GLN 53 HE21 -0.0093 -0.0008 0.0103 732 GLN 53 HE22 -0.0091 0.0014 0.0122 733 LYS 54 N 0.0102 0.0079 0.0059 734 LYS 54 CA 0.0142 -0.0021 0.0108 735 LYS 54 C 0.0291 -0.0066 0.0177 736 LYS 54 O 0.0326 -0.0170 0.0225 737 LYS 54 CB 0.0138 0.0051 0.0082 738 LYS 54 CG -0.0010 0.0052 0.0028 739 LYS 54 CD -0.0010 0.0155 -0.0007 740 LYS 54 CE -0.0146 0.0230 -0.0082 741 LYS 54 NZ -0.0279 0.0126 -0.0094 742 LYS 54 H 0.0089 0.0163 0.0026 743 LYS 54 HA 0.0073 -0.0106 0.0112 744 LYS 54 HB2 0.0180 0.0150 0.0063 745 LYS 54 HB3 0.0194 -0.0000 0.0120 746 LYS 54 HG2 -0.0044 -0.0044 0.0049 747 LYS 54 HG3 -0.0074 0.0083 -0.0005 748 LYS 54 HD2 0.0072 0.0228 -0.0002 749 LYS 54 HD3 -0.0005 0.0102 0.0013 750 LYS 54 HE2 -0.0149 0.0288 -0.0103 751 LYS 54 HE3 -0.0146 0.0291 -0.0103 752 LYS 54 HZ1 -0.0356 0.0174 -0.0138 753 LYS 54 HZ2 -0.0280 0.0072 -0.0076 754 LYS 54 HZ3 -0.0282 0.0069 -0.0076 755 ASP 55 N 0.0239 -0.0017 0.0129 756 ASP 55 CA 0.0295 -0.0044 0.0132 757 ASP 55 C 0.0256 -0.0096 0.0102 758 ASP 55 O 0.0293 -0.0116 0.0102 759 ASP 55 CB 0.0328 0.0025 0.0168 760 ASP 55 CG 0.0265 0.0069 0.0171 761 ASP 55 OD1 0.0192 0.0063 0.0151 762 ASP 55 OD2 0.0289 0.0109 0.0193 763 ASP 55 H 0.0207 0.0023 0.0138 764 ASP 55 HA 0.0341 -0.0074 0.0131 765 ASP 55 HB2 0.0373 0.0006 0.0171 766 ASP 55 HB3 0.0345 0.0060 0.0187 767 ASP 56 N 0.0079 -0.0083 0.0051 768 ASP 56 CA 0.0049 -0.0102 0.0026 769 ASP 56 C 0.0016 -0.0086 0.0033 770 ASP 56 O -0.0008 -0.0101 0.0013 771 ASP 56 CB 0.0069 -0.0133 0.0002 772 ASP 56 CG 0.0090 -0.0155 -0.0014 773 ASP 56 OD1 0.0082 -0.0149 -0.0011 774 ASP 56 OD2 0.0113 -0.0178 -0.0030 775 ASP 56 H 0.0074 -0.0078 0.0056 776 ASP 56 HA 0.0035 -0.0107 0.0017 777 ASP 56 HB2 0.0089 -0.0129 0.0010 778 ASP 56 HB3 0.0048 -0.0142 -0.0013 779 SER 57 N 0.0005 -0.0070 0.0043 780 SER 57 CA -0.0045 -0.0057 0.0057 781 SER 57 C -0.0068 -0.0054 0.0056 782 SER 57 O -0.0043 -0.0058 0.0055 783 SER 57 CB -0.0046 -0.0036 0.0105 784 SER 57 OG -0.0022 -0.0026 0.0136 785 SER 57 H 0.0027 -0.0064 0.0064 786 SER 57 HA -0.0063 -0.0063 0.0037 787 SER 57 HB2 -0.0080 -0.0028 0.0113 788 SER 57 HB3 -0.0030 -0.0038 0.0107 789 SER 57 HG -0.0024 -0.0015 0.0163 790 LEU 58 N -0.0058 -0.0042 0.0022 791 LEU 58 CA -0.0073 -0.0040 0.0024 792 LEU 58 C -0.0083 -0.0029 0.0034 793 LEU 58 O -0.0083 -0.0026 0.0037 794 LEU 58 CB -0.0084 -0.0052 0.0014 795 LEU 58 CG -0.0075 -0.0064 0.0003 796 LEU 58 CD1 -0.0075 -0.0074 -0.0006 797 LEU 58 CD2 -0.0082 -0.0070 -0.0002 798 LEU 58 H -0.0060 -0.0042 0.0022 799 LEU 58 HA -0.0069 -0.0038 0.0026 800 LEU 58 HB2 -0.0088 -0.0054 0.0012 801 LEU 58 HB3 -0.0093 -0.0051 0.0015 802 LEU 58 HG -0.0063 -0.0062 0.0005 803 LEU 58 HD11 -0.0070 -0.0082 -0.0013 804 LEU 58 HD12 -0.0069 -0.0071 -0.0003 805 LEU 58 HD13 -0.0087 -0.0076 -0.0007 806 LEU 58 HD21 -0.0076 -0.0077 -0.0008 807 LEU 58 HD22 -0.0094 -0.0072 -0.0003 808 LEU 58 HD23 -0.0081 -0.0063 0.0004 809 LYS 59 N -0.0095 -0.0004 0.0068 810 LYS 59 CA -0.0106 0.0006 0.0072 811 LYS 59 C -0.0097 0.0022 0.0031 812 LYS 59 O -0.0072 0.0011 0.0005 813 LYS 59 CB -0.0092 -0.0024 0.0094 814 LYS 59 CG -0.0105 -0.0037 0.0137 815 LYS 59 CD -0.0084 -0.0072 0.0156 816 LYS 59 CE -0.0097 -0.0086 0.0198 817 LYS 59 NZ -0.0115 -0.0083 0.0225 818 LYS 59 H -0.0075 -0.0019 0.0057 819 LYS 59 HA -0.0128 0.0021 0.0086 820 LYS 59 HB2 -0.0070 -0.0042 0.0083 821 LYS 59 HB3 -0.0096 -0.0017 0.0090 822 LYS 59 HG2 -0.0125 -0.0023 0.0149 823 LYS 59 HG3 -0.0107 -0.0037 0.0140 824 LYS 59 HD2 -0.0064 -0.0086 0.0142 825 LYS 59 HD3 -0.0084 -0.0072 0.0155 826 LYS 59 HE2 -0.0110 -0.0074 0.0201 827 LYS 59 HE3 -0.0079 -0.0109 0.0204 828 LYS 59 HZ1 -0.0103 -0.0095 0.0223 829 LYS 59 HZ2 -0.0131 -0.0062 0.0220 830 LYS 59 HZ3 -0.0122 -0.0091 0.0249 831 VAL 60 N -0.0027 -0.0002 0.0027 832 VAL 60 CA -0.0035 -0.0004 0.0021 833 VAL 60 C -0.0038 0.0009 0.0015 834 VAL 60 O -0.0032 0.0018 0.0018 835 VAL 60 CB -0.0031 -0.0008 0.0025 836 VAL 60 CG1 -0.0039 -0.0008 0.0018 837 VAL 60 CG2 -0.0028 -0.0021 0.0031 838 VAL 60 H -0.0023 0.0004 0.0029 839 VAL 60 HA -0.0040 -0.0009 0.0018 840 VAL 60 HB -0.0025 -0.0003 0.0028 841 VAL 60 HG11 -0.0038 -0.0014 0.0021 842 VAL 60 HG12 -0.0039 -0.0000 0.0016 843 VAL 60 HG13 -0.0045 -0.0012 0.0014 844 VAL 60 HG21 -0.0027 -0.0024 0.0032 845 VAL 60 HG22 -0.0033 -0.0026 0.0028 846 VAL 60 HG23 -0.0022 -0.0020 0.0035 847 PHE 61 N -0.0038 0.0038 0.0045 848 PHE 61 CA -0.0033 0.0054 0.0021 849 PHE 61 C -0.0030 0.0064 0.0001 850 PHE 61 O -0.0036 0.0051 -0.0003 851 PHE 61 CB -0.0042 0.0038 0.0002 852 PHE 61 CG -0.0045 0.0027 0.0019 853 PHE 61 CD1 -0.0037 0.0043 0.0025 854 PHE 61 CD2 -0.0056 -0.0000 0.0027 855 PHE 61 CE1 -0.0040 0.0033 0.0041 856 PHE 61 CE2 -0.0060 -0.0010 0.0042 857 PHE 61 CZ -0.0052 0.0006 0.0049 858 PHE 61 H -0.0044 0.0025 0.0040 859 PHE 61 HA -0.0025 0.0069 0.0029 860 PHE 61 HB2 -0.0049 0.0023 -0.0006 861 PHE 61 HB3 -0.0038 0.0050 -0.0013 862 PHE 61 HD1 -0.0030 0.0061 0.0019 863 PHE 61 HD2 -0.0062 -0.0011 0.0023 864 PHE 61 HE1 -0.0035 0.0044 0.0045 865 PHE 61 HE2 -0.0067 -0.0029 0.0047 866 PHE 61 HZ -0.0054 -0.0001 0.0060 867 SER 62 N 0.0012 0.0063 -0.0024 868 SER 62 CA 0.0014 0.0064 -0.0027 869 SER 62 C -0.0003 0.0060 -0.0038 870 SER 62 O -0.0011 0.0060 -0.0051 871 SER 62 CB 0.0030 0.0074 -0.0038 872 SER 62 OG 0.0031 0.0076 -0.0041 873 SER 62 H 0.0020 0.0067 -0.0028 874 SER 62 HA 0.0015 0.0062 -0.0015 875 SER 62 HB2 0.0040 0.0077 -0.0030 876 SER 62 HB3 0.0028 0.0077 -0.0050 877 SER 62 HG 0.0027 0.0071 -0.0032 878 THR 63 N -0.0004 0.0045 -0.0032 879 THR 63 CA -0.0020 0.0045 -0.0041 880 THR 63 C -0.0018 0.0055 -0.0055 881 THR 63 O -0.0030 0.0056 -0.0064 882 THR 63 CB -0.0028 0.0035 -0.0032 883 THR 63 OG1 -0.0018 0.0037 -0.0028 884 THR 63 CG2 -0.0032 0.0025 -0.0019 885 THR 63 H -0.0001 0.0042 -0.0024 886 THR 63 HA -0.0026 0.0044 -0.0044 887 THR 63 HB -0.0038 0.0035 -0.0038 888 THR 63 HG1 -0.0023 0.0031 -0.0023 889 THR 63 HG21 -0.0038 0.0019 -0.0014 890 THR 63 HG22 -0.0040 0.0024 -0.0022 891 THR 63 HG23 -0.0023 0.0024 -0.0012 892 ASN 64 N -0.0005 0.0065 -0.0046 893 ASN 64 CA 0.0004 0.0068 -0.0058 894 ASN 64 C 0.0004 0.0082 -0.0087 895 ASN 64 O 0.0018 0.0083 -0.0100 896 ASN 64 CB 0.0033 0.0056 -0.0052 897 ASN 64 CG 0.0044 0.0057 -0.0060 898 ASN 64 OD1 0.0031 0.0058 -0.0054 899 ASN 64 ND2 0.0068 0.0056 -0.0075 900 ASN 64 H 0.0008 0.0061 -0.0045 901 ASN 64 HA -0.0008 0.0069 -0.0051 902 ASN 64 HB2 0.0033 0.0048 -0.0033 903 ASN 64 HB3 0.0045 0.0056 -0.0060 904 ASN 64 HD21 0.0075 0.0057 -0.0080 905 ASN 64 HD22 0.0076 0.0056 -0.0079 906 ASN 64 N -0.0005 0.0065 -0.0045 907 ASN 64 CA 0.0002 0.0069 -0.0058 908 ASN 64 C 0.0001 0.0083 -0.0087 909 ASN 64 O 0.0013 0.0085 -0.0100 910 ASN 64 CB 0.0030 0.0058 -0.0054 911 ASN 64 CG 0.0031 0.0045 -0.0026 912 ASN 64 OD1 0.0011 0.0045 -0.0013 913 ASN 64 ND2 0.0055 0.0033 -0.0017 914 ASN 64 H 0.0008 0.0060 -0.0043 915 ASN 64 HA -0.0011 0.0070 -0.0052 916 ASN 64 HB2 0.0043 0.0056 -0.0057 917 ASN 64 HB3 0.0036 0.0061 -0.0065 918 ASN 64 HD21 0.0057 0.0026 -0.0002 919 ASN 64 HD22 0.0069 0.0034 -0.0027 920 CYS 65 N 0.0008 0.0066 -0.0092 921 CYS 65 CA 0.0009 0.0074 -0.0093 922 CYS 65 C 0.0010 0.0069 -0.0096 923 CYS 65 O 0.0007 0.0062 -0.0091 924 CYS 65 CB 0.0004 0.0080 -0.0085 925 CYS 65 SG 0.0006 0.0090 -0.0087 926 CYS 65 HA 0.0012 0.0078 -0.0098 927 CYS 65 HB2 0.0004 0.0083 -0.0084 928 CYS 65 HB3 0.0001 0.0076 -0.0081 929 CYS 65 H 0.0004 0.0066 -0.0087 930 CYS 65 H 0.0004 0.0066 -0.0087 931 PRO 66 N 0.0068 0.0093 -0.0106 932 PRO 66 CA 0.0090 0.0087 -0.0121 933 PRO 66 C 0.0091 0.0091 -0.0133 934 PRO 66 O 0.0110 0.0085 -0.0144 935 PRO 66 CB 0.0093 0.0093 -0.0141 936 PRO 66 CG 0.0068 0.0107 -0.0142 937 PRO 66 CD 0.0056 0.0103 -0.0116 938 PRO 66 HA 0.0102 0.0077 -0.0112 939 PRO 66 HB2 0.0100 0.0095 -0.0156 940 PRO 66 HB3 0.0102 0.0086 -0.0136 941 PRO 66 HG2 0.0061 0.0114 -0.0152 942 PRO 66 HG3 0.0068 0.0109 -0.0148 943 PRO 66 HD2 0.0040 0.0112 -0.0115 944 PRO 66 HD3 0.0058 0.0099 -0.0107 945 HIS 67 N 0.0030 0.0010 -0.0097 946 HIS 67 CA 0.0012 0.0002 -0.0037 947 HIS 67 C -0.0009 -0.0065 0.0014 948 HIS 67 O -0.0014 -0.0128 0.0008 949 HIS 67 CB 0.0008 0.0080 0.0008 950 HIS 67 CG -0.0010 0.0076 0.0072 951 HIS 67 ND1 -0.0027 0.0105 0.0144 952 HIS 67 CD2 -0.0015 0.0048 0.0077 953 HIS 67 CE1 -0.0041 0.0095 0.0190 954 HIS 67 NE2 -0.0034 0.0059 0.0151 955 HIS 67 H 0.0033 0.0049 -0.0091 956 HIS 67 HA 0.0017 -0.0010 -0.0058 957 HIS 67 HB2 0.0022 0.0120 -0.0026 958 HIS 67 HB3 0.0004 0.0094 0.0028 959 HIS 67 HD2 -0.0006 0.0024 0.0037 960 HIS 67 HE1 -0.0054 0.0110 0.0241 961 HIS 67 HE2 -0.0041 0.0045 0.0169 962 LEU 68 N -0.0096 -0.0048 0.0045 963 LEU 68 CA -0.0119 -0.0125 0.0120 964 LEU 68 C -0.0105 -0.0081 0.0084 965 LEU 68 O -0.0103 -0.0107 0.0164 966 LEU 68 CB -0.0097 -0.0132 0.0276 967 LEU 68 CG -0.0124 -0.0211 0.0322 968 LEU 68 CD1 -0.0098 -0.0208 0.0475 969 LEU 68 CD2 -0.0191 -0.0349 0.0284 970 LEU 68 H -0.0061 0.0033 0.0042 971 LEU 68 HA -0.0161 -0.0212 0.0093 972 LEU 68 HB2 -0.0054 -0.0047 0.0304 973 LEU 68 HB3 -0.0106 -0.0171 0.0322 974 LEU 68 HG -0.0115 -0.0173 0.0274 975 LEU 68 HD11 -0.0116 -0.0258 0.0503 976 LEU 68 HD12 -0.0056 -0.0120 0.0498 977 LEU 68 HD13 -0.0106 -0.0243 0.0521 978 LEU 68 HD21 -0.0205 -0.0399 0.0334 979 LEU 68 HD22 -0.0202 -0.0381 0.0309 980 LEU 68 HD23 -0.0209 -0.0352 0.0186 981 GLY 69 N -0.0043 0.0059 -0.0069 982 GLY 69 CA -0.0043 0.0054 -0.0074 983 GLY 69 C -0.0042 0.0060 -0.0070 984 GLY 69 O -0.0043 0.0056 -0.0073 985 GLY 69 H -0.0040 0.0063 -0.0073 986 GLY 69 HA2 -0.0040 0.0054 -0.0082 987 GLY 69 HA3 -0.0047 0.0047 -0.0072 988 CYS 70 N -0.0089 0.0050 -0.0034 989 CYS 70 CA -0.0076 0.0048 -0.0043 990 CYS 70 C -0.0043 0.0042 -0.0069 991 CYS 70 O -0.0026 0.0044 -0.0075 992 CYS 70 CB -0.0069 0.0072 -0.0017 993 CYS 70 SG -0.0109 0.0077 0.0011 994 CYS 70 H -0.0088 0.0064 -0.0016 995 CYS 70 HA -0.0094 0.0035 -0.0050 996 CYS 70 HB2 -0.0054 0.0085 -0.0007 997 CYS 70 HB3 -0.0056 0.0071 -0.0025 998 GLY 71 N -0.0042 0.0056 -0.0108 999 GLY 71 CA -0.0028 0.0044 -0.0108 1000 GLY 71 C -0.0015 0.0044 -0.0100 1001 GLY 71 O -0.0017 0.0046 -0.0099 1002 GLY 71 H -0.0049 0.0053 -0.0114 1003 GLY 71 HA2 -0.0025 0.0044 -0.0106 1004 GLY 71 HA3 -0.0030 0.0035 -0.0117 1005 ILE 72 N -0.0012 0.0047 -0.0081 1006 ILE 72 CA -0.0016 0.0036 -0.0078 1007 ILE 72 C -0.0021 0.0024 -0.0074 1008 ILE 72 O -0.0020 0.0024 -0.0066 1009 ILE 72 CB -0.0014 0.0040 -0.0065 1010 ILE 72 CG1 -0.0009 0.0051 -0.0069 1011 ILE 72 CG2 -0.0018 0.0028 -0.0060 1012 ILE 72 CD1 -0.0006 0.0056 -0.0057 1013 ILE 72 H -0.0009 0.0051 -0.0074 1014 ILE 72 HA -0.0017 0.0034 -0.0086 1015 ILE 72 HB -0.0012 0.0043 -0.0058 1016 ILE 72 HG12 -0.0011 0.0048 -0.0076 1017 ILE 72 HG13 -0.0006 0.0058 -0.0073 1018 ILE 72 HG21 -0.0017 0.0031 -0.0053 1019 ILE 72 HG22 -0.0021 0.0022 -0.0056 1020 ILE 72 HG23 -0.0021 0.0024 -0.0067 1021 ILE 72 HD11 -0.0004 0.0062 -0.0061 1022 ILE 72 HD12 -0.0004 0.0061 -0.0051 1023 ILE 72 HD13 -0.0009 0.0049 -0.0052 1024 ASP 73 N 0.0010 0.0009 -0.0042 1025 ASP 73 CA 0.0022 -0.0000 -0.0049 1026 ASP 73 C 0.0015 -0.0017 -0.0029 1027 ASP 73 O 0.0008 -0.0029 -0.0012 1028 ASP 73 CB 0.0044 -0.0015 -0.0064 1029 ASP 73 CG 0.0052 0.0001 -0.0086 1030 ASP 73 OD1 0.0046 0.0023 -0.0095 1031 ASP 73 OD2 0.0065 -0.0009 -0.0093 1032 ASP 73 H 0.0014 -0.0002 -0.0039 1033 ASP 73 HA 0.0020 0.0014 -0.0057 1034 ASP 73 HB2 0.0046 -0.0028 -0.0056 1035 ASP 73 HB3 0.0052 -0.0021 -0.0068 1036 TRP 74 N 0.0020 -0.0047 0.0034 1037 TRP 74 CA 0.0003 -0.0048 0.0030 1038 TRP 74 C 0.0030 -0.0045 0.0037 1039 TRP 74 O 0.0052 -0.0020 0.0037 1040 TRP 74 CB -0.0022 -0.0019 0.0017 1041 TRP 74 CG -0.0038 -0.0016 0.0012 1042 TRP 74 CD1 -0.0030 0.0009 0.0009 1043 TRP 74 CD2 -0.0064 -0.0041 0.0011 1044 TRP 74 NE1 -0.0050 0.0002 0.0005 1045 TRP 74 CE2 -0.0071 -0.0028 0.0006 1046 TRP 74 CE3 -0.0082 -0.0071 0.0013 1047 TRP 74 CZ2 -0.0096 -0.0045 0.0003 1048 TRP 74 CZ3 -0.0106 -0.0089 0.0010 1049 TRP 74 CH2 -0.0113 -0.0076 0.0006 1050 TRP 74 H 0.0027 -0.0026 0.0032 1051 TRP 74 HA -0.0010 -0.0071 0.0032 1052 TRP 74 HB2 -0.0041 -0.0022 0.0013 1053 TRP 74 HB3 -0.0009 0.0004 0.0015 1054 TRP 74 HD1 -0.0014 0.0028 0.0009 1055 TRP 74 HE1 -0.0050 0.0015 0.0002 1056 TRP 74 HE3 -0.0077 -0.0080 0.0016 1057 TRP 74 HZ2 -0.0101 -0.0037 0.0000 1058 TRP 74 HZ3 -0.0119 -0.0109 0.0011 1059 TRP 74 HH2 -0.0129 -0.0088 0.0004 1060 ALA 75 N 0.0100 -0.0070 0.0081 1061 ALA 75 CA 0.0159 -0.0054 0.0106 1062 ALA 75 C 0.0119 -0.0013 0.0075 1063 ALA 75 O 0.0068 -0.0056 0.0061 1064 ALA 75 CB 0.0188 -0.0138 0.0144 1065 ALA 75 H 0.0066 -0.0114 0.0077 1066 ALA 75 HA 0.0205 -0.0014 0.0118 1067 ALA 75 HB1 0.0225 -0.0128 0.0160 1068 ALA 75 HB2 0.0213 -0.0163 0.0164 1069 ALA 75 HB3 0.0142 -0.0178 0.0133 1070 ASN 76 N 0.0070 0.0121 0.0175 1071 ASN 76 CA 0.0071 0.0199 0.0098 1072 ASN 76 C 0.0070 0.0291 0.0099 1073 ASN 76 O 0.0072 0.0348 0.0022 1074 ASN 76 CB 0.0070 0.0237 0.0113 1075 ASN 76 CG 0.0074 0.0196 0.0031 1076 ASN 76 OD1 0.0077 0.0204 -0.0063 1077 ASN 76 ND2 0.0073 0.0150 0.0065 1078 ASN 76 H 0.0068 0.0117 0.0228 1079 ASN 76 HA 0.0074 0.0168 0.0030 1080 ASN 76 HB2 0.0068 0.0214 0.0181 1081 ASN 76 HB3 0.0069 0.0312 0.0110 1082 ASN 76 HD21 0.0071 0.0145 0.0131 1083 ASN 76 HD22 0.0075 0.0125 0.0021 1084 ASP 77 N 0.0222 0.0688 0.0348 1085 ASP 77 CA 0.0253 0.0716 0.0376 1086 ASP 77 C 0.0083 0.0421 0.0227 1087 ASP 77 O -0.0068 0.0506 0.0066 1088 ASP 77 CB 0.0538 0.0727 0.0667 1089 ASP 77 CG 0.0686 0.0406 0.0846 1090 ASP 77 OD1 0.0590 0.0159 0.0768 1091 ASP 77 OD2 0.0918 0.0402 0.1084 1092 ASP 77 H 0.0350 0.0599 0.0486 1093 ASP 77 HA 0.0194 0.0952 0.0296 1094 ASP 77 HB2 0.0547 0.0730 0.0677 1095 ASP 77 HB3 0.0623 0.0950 0.0737 1096 VAL 78 N 0.0190 -0.0144 0.0061 1097 VAL 78 CA 0.0065 -0.0320 0.0051 1098 VAL 78 C -0.0130 -0.0268 0.0029 1099 VAL 78 O -0.0258 -0.0399 0.0018 1100 VAL 78 CB 0.0181 -0.0484 0.0068 1101 VAL 78 CG1 0.0354 -0.0558 0.0089 1102 VAL 78 CG2 0.0255 -0.0407 0.0074 1103 VAL 78 H 0.0274 -0.0119 0.0069 1104 VAL 78 HA 0.0027 -0.0377 0.0048 1105 VAL 78 HB 0.0091 -0.0596 0.0061 1106 VAL 78 HG11 0.0422 -0.0664 0.0098 1107 VAL 78 HG12 0.0304 -0.0611 0.0084 1108 VAL 78 HG13 0.0445 -0.0448 0.0096 1109 VAL 78 HG21 0.0312 -0.0518 0.0083 1110 VAL 78 HG22 0.0356 -0.0305 0.0083 1111 VAL 78 HG23 0.0143 -0.0351 0.0061 1112 SER 79 N -0.0033 -0.0093 0.0045 1113 SER 79 CA -0.0120 -0.0079 0.0004 1114 SER 79 C -0.0137 -0.0188 -0.0009 1115 SER 79 O -0.0220 -0.0238 -0.0051 1116 SER 79 CB -0.0219 -0.0041 -0.0042 1117 SER 79 OG -0.0209 0.0074 -0.0031 1118 SER 79 H 0.0011 -0.0039 0.0069 1119 SER 79 HA -0.0104 -0.0018 0.0015 1120 SER 79 HB2 -0.0230 -0.0091 -0.0049 1121 SER 79 HB3 -0.0278 -0.0046 -0.0070 1122 SER 79 HG -0.0263 0.0096 -0.0056 1123 ARG 80 N -0.0069 -0.0205 0.0049 1124 ARG 80 CA -0.0057 -0.0206 0.0044 1125 ARG 80 C -0.0003 -0.0133 0.0035 1126 ARG 80 O 0.0044 -0.0103 0.0021 1127 ARG 80 CB -0.0022 -0.0284 0.0013 1128 ARG 80 CG -0.0065 -0.0364 0.0015 1129 ARG 80 CD -0.0144 -0.0377 0.0046 1130 ARG 80 NE -0.0173 -0.0463 0.0041 1131 ARG 80 CZ -0.0245 -0.0491 0.0067 1132 ARG 80 NH1 -0.0298 -0.0441 0.0100 1133 ARG 80 NH2 -0.0264 -0.0571 0.0059 1134 ARG 80 H -0.0028 -0.0192 0.0034 1135 ARG 80 HA -0.0106 -0.0203 0.0066 1136 ARG 80 HB2 0.0029 -0.0284 -0.0009 1137 ARG 80 HB3 -0.0020 -0.0282 0.0012 1138 ARG 80 HG2 -0.0073 -0.0365 0.0018 1139 ARG 80 HG3 -0.0034 -0.0409 -0.0008 1140 ARG 80 HD2 -0.0139 -0.0364 0.0047 1141 ARG 80 HD3 -0.0179 -0.0343 0.0069 1142 ARG 80 HE -0.0141 -0.0498 0.0020 1143 ARG 80 HH11 -0.0285 -0.0390 0.0105 1144 ARG 80 HH12 -0.0344 -0.0461 0.0116 1145 ARG 80 HH21 -0.0230 -0.0604 0.0037 1146 ARG 80 HH22 -0.0311 -0.0590 0.0075 1147 PHE 81 N -0.0032 -0.0098 0.0003 1148 PHE 81 CA -0.0025 -0.0081 -0.0008 1149 PHE 81 C -0.0012 -0.0091 -0.0015 1150 PHE 81 O -0.0016 -0.0105 -0.0008 1151 PHE 81 CB -0.0039 -0.0064 0.0000 1152 PHE 81 CG -0.0050 -0.0050 0.0005 1153 PHE 81 CD1 -0.0043 -0.0035 -0.0005 1154 PHE 81 CD2 -0.0067 -0.0052 0.0020 1155 PHE 81 CE1 -0.0053 -0.0021 -0.0000 1156 PHE 81 CE2 -0.0077 -0.0039 0.0025 1157 PHE 81 CZ -0.0070 -0.0023 0.0015 1158 PHE 81 H -0.0042 -0.0100 0.0012 1159 PHE 81 HA -0.0019 -0.0073 -0.0015 1160 PHE 81 HB2 -0.0047 -0.0072 0.0009 1161 PHE 81 HB3 -0.0034 -0.0055 -0.0007 1162 PHE 81 HD1 -0.0032 -0.0033 -0.0015 1163 PHE 81 HD2 -0.0072 -0.0062 0.0027 1164 PHE 81 HE1 -0.0048 -0.0011 -0.0007 1165 PHE 81 HE2 -0.0089 -0.0040 0.0035 1166 PHE 81 HZ -0.0077 -0.0014 0.0018 1167 LEU 82 N 0.0026 -0.0038 0.0000 1168 LEU 82 CA 0.0056 -0.0062 0.0003 1169 LEU 82 C 0.0057 -0.0035 -0.0013 1170 LEU 82 O 0.0062 0.0002 -0.0036 1171 LEU 82 CB 0.0105 -0.0072 -0.0008 1172 LEU 82 CG 0.0112 -0.0097 0.0003 1173 LEU 82 CD1 0.0163 -0.0107 -0.0009 1174 LEU 82 CD2 0.0093 -0.0138 0.0034 1175 LEU 82 H 0.0033 -0.0014 -0.0016 1176 LEU 82 HA 0.0044 -0.0087 0.0022 1177 LEU 82 HB2 0.0116 -0.0046 -0.0027 1178 LEU 82 HB3 0.0123 -0.0089 -0.0005 1179 LEU 82 HG 0.0096 -0.0080 -0.0001 1180 LEU 82 HD11 0.0168 -0.0123 -0.0002 1181 LEU 82 HD12 0.0175 -0.0081 -0.0029 1182 LEU 82 HD13 0.0179 -0.0124 -0.0005 1183 LEU 82 HD21 0.0100 -0.0154 0.0040 1184 LEU 82 HD22 0.0106 -0.0155 0.0038 1185 LEU 82 HD23 0.0060 -0.0131 0.0042 1186 CYS 83 N 0.0066 0.0056 -0.0051 1187 CYS 83 CA 0.0044 0.0054 -0.0056 1188 CYS 83 C 0.0051 0.0054 -0.0040 1189 CYS 83 O 0.0051 0.0053 -0.0014 1190 CYS 83 CB 0.0015 0.0052 -0.0047 1191 CYS 83 SG -0.0011 0.0050 -0.0054 1192 CYS 83 H 0.0068 0.0055 -0.0034 1193 CYS 83 HA 0.0043 0.0055 -0.0076 1194 CYS 83 HB2 0.0010 0.0052 -0.0057 1195 CYS 83 HB3 0.0016 0.0051 -0.0027 1196 PRO 84 N 0.0088 0.0025 0.0005 1197 PRO 84 CA 0.0116 0.0020 0.0030 1198 PRO 84 C 0.0047 0.0031 0.0064 1199 PRO 84 O 0.0066 0.0027 0.0093 1200 PRO 84 CB 0.0153 0.0015 -0.0052 1201 PRO 84 CG 0.0105 0.0025 -0.0120 1202 PRO 84 CD 0.0086 0.0028 -0.0088 1203 PRO 84 HA 0.0160 0.0011 0.0072 1204 PRO 84 HB2 0.0144 0.0016 -0.0055 1205 PRO 84 HB3 0.0212 0.0004 -0.0056 1206 PRO 84 HG2 0.0054 0.0035 -0.0131 1207 PRO 84 HG3 0.0139 0.0020 -0.0172 1208 PRO 84 HD2 0.0031 0.0039 -0.0107 1209 PRO 84 HD3 0.0128 0.0021 -0.0106 1210 CYS 85 N -0.0012 0.0094 0.0126 1211 CYS 85 CA -0.0082 0.0086 0.0170 1212 CYS 85 C -0.0080 0.0115 0.0246 1213 CYS 85 O -0.0105 0.0126 0.0299 1214 CYS 85 CB -0.0141 0.0050 0.0133 1215 CYS 85 SG -0.0167 0.0013 0.0062 1216 CYS 85 H -0.0011 0.0082 0.0092 1217 CYS 85 HA -0.0094 0.0083 0.0176 1218 CYS 85 HB2 -0.0123 0.0048 0.0111 1219 CYS 85 HB3 -0.0183 0.0047 0.0167 1220 HIS 86 N -0.0138 0.0119 0.0306 1221 HIS 86 CA -0.0135 0.0144 0.0347 1222 HIS 86 C -0.0086 0.0184 0.0331 1223 HIS 86 O -0.0079 0.0198 0.0344 1224 HIS 86 CB -0.0169 0.0113 0.0352 1225 HIS 86 CG -0.0216 0.0069 0.0357 1226 HIS 86 ND1 -0.0231 0.0030 0.0310 1227 HIS 86 CD2 -0.0252 0.0059 0.0403 1228 HIS 86 CE1 -0.0273 -0.0003 0.0328 1229 HIS 86 NE2 -0.0287 0.0014 0.0383 1230 HIS 86 H -0.0124 0.0114 0.0271 1231 HIS 86 HA -0.0143 0.0156 0.0384 1232 HIS 86 HB2 -0.0158 0.0105 0.0318 1233 HIS 86 HB3 -0.0172 0.0128 0.0385 1234 HIS 86 HD2 -0.0252 0.0079 0.0440 1235 HIS 86 HE1 -0.0291 -0.0033 0.0305 1236 HIS 86 HE2 -0.0313 -0.0001 0.0404 1237 GLU 87 N -0.0086 -0.0023 0.0204 1238 GLU 87 CA 0.0097 0.0148 0.0153 1239 GLU 87 C -0.0075 0.0093 -0.0082 1240 GLU 87 O -0.0019 0.0120 -0.0030 1241 GLU 87 CB 0.0258 0.0151 0.0502 1242 GLU 87 CG 0.0446 0.0215 0.0744 1243 GLU 87 CD 0.0632 0.0246 0.1073 1244 GLU 87 OE1 0.0770 0.0373 0.1042 1245 GLU 87 OE2 0.0639 0.0145 0.1362 1246 GLU 87 H -0.0043 0.0046 0.0116 1247 GLU 87 HA 0.0241 0.0311 0.0032 1248 GLU 87 HB2 0.0118 -0.0010 0.0625 1249 GLU 87 HB3 0.0384 0.0272 0.0455 1250 GLU 87 HG2 0.0573 0.0368 0.0617 1251 GLU 87 HG3 0.0321 0.0085 0.0818 1252 GLY 88 N 0.0021 0.0082 -0.0026 1253 GLY 88 CA 0.0032 0.0078 -0.0047 1254 GLY 88 C 0.0047 0.0091 -0.0061 1255 GLY 88 O 0.0047 0.0093 -0.0059 1256 GLY 88 H 0.0013 0.0071 -0.0023 1257 GLY 88 HA2 0.0034 0.0083 -0.0046 1258 GLY 88 HA3 0.0029 0.0062 -0.0054 1259 VAL 89 N 0.0010 -0.0012 -0.0081 1260 VAL 89 CA 0.0007 -0.0030 -0.0068 1261 VAL 89 C 0.0010 -0.0023 -0.0045 1262 VAL 89 O 0.0011 -0.0013 -0.0039 1263 VAL 89 CB 0.0004 -0.0048 -0.0071 1264 VAL 89 CG1 0.0002 -0.0066 -0.0057 1265 VAL 89 CG2 0.0002 -0.0054 -0.0094 1266 VAL 89 H 0.0011 -0.0005 -0.0077 1267 VAL 89 HA 0.0006 -0.0034 -0.0071 1268 VAL 89 HB 0.0005 -0.0043 -0.0067 1269 VAL 89 HG11 -0.0000 -0.0078 -0.0061 1270 VAL 89 HG12 0.0003 -0.0063 -0.0042 1271 VAL 89 HG13 0.0001 -0.0069 -0.0059 1272 VAL 89 HG21 0.0000 -0.0066 -0.0095 1273 VAL 89 HG22 0.0001 -0.0058 -0.0098 1274 VAL 89 HG23 0.0004 -0.0043 -0.0102 1275 PHE 90 N -0.0035 -0.0059 -0.0080 1276 PHE 90 CA -0.0032 -0.0050 -0.0044 1277 PHE 90 C -0.0047 -0.0079 -0.0020 1278 PHE 90 O -0.0057 -0.0099 -0.0026 1279 PHE 90 CB -0.0018 -0.0022 -0.0028 1280 PHE 90 CG -0.0003 0.0006 -0.0053 1281 PHE 90 CD1 -0.0001 0.0007 -0.0078 1282 PHE 90 CD2 0.0010 0.0032 -0.0049 1283 PHE 90 CE1 0.0012 0.0032 -0.0102 1284 PHE 90 CE2 0.0024 0.0058 -0.0072 1285 PHE 90 CZ 0.0025 0.0058 -0.0098 1286 PHE 90 H -0.0039 -0.0068 -0.0081 1287 PHE 90 HA -0.0029 -0.0044 -0.0044 1288 PHE 90 HB2 -0.0022 -0.0029 -0.0023 1289 PHE 90 HB3 -0.0015 -0.0014 -0.0006 1290 PHE 90 HD1 -0.0010 -0.0010 -0.0080 1291 PHE 90 HD2 0.0009 0.0032 -0.0032 1292 PHE 90 HE1 0.0013 0.0032 -0.0120 1293 PHE 90 HE2 0.0033 0.0075 -0.0070 1294 PHE 90 HZ 0.0034 0.0075 -0.0114 1295 ASP 91 N -0.0090 -0.0130 0.0023 1296 ASP 91 CA -0.0110 -0.0163 0.0058 1297 ASP 91 C -0.0113 -0.0132 0.0087 1298 ASP 91 O -0.0099 -0.0085 0.0081 1299 ASP 91 CB -0.0129 -0.0191 0.0092 1300 ASP 91 CG -0.0135 -0.0154 0.0134 1301 ASP 91 OD1 -0.0128 -0.0110 0.0147 1302 ASP 91 OD2 -0.0146 -0.0172 0.0155 1303 ASP 91 H -0.0091 -0.0119 0.0033 1304 ASP 91 HA -0.0111 -0.0192 0.0039 1305 ASP 91 HB2 -0.0142 -0.0218 0.0108 1306 ASP 91 HB3 -0.0125 -0.0205 0.0070 1307 VAL 92 N -0.0126 -0.0157 0.0072 1308 VAL 92 CA -0.0132 -0.0125 0.0079 1309 VAL 92 C -0.0154 -0.0102 0.0097 1310 VAL 92 O -0.0158 -0.0071 0.0101 1311 VAL 92 CB -0.0142 -0.0137 0.0086 1312 VAL 92 CG1 -0.0171 -0.0154 0.0109 1313 VAL 92 CG2 -0.0140 -0.0106 0.0086 1314 VAL 92 H -0.0131 -0.0177 0.0077 1315 VAL 92 HA -0.0116 -0.0109 0.0066 1316 VAL 92 HB -0.0128 -0.0155 0.0075 1317 VAL 92 HG11 -0.0175 -0.0165 0.0112 1318 VAL 92 HG12 -0.0172 -0.0171 0.0110 1319 VAL 92 HG13 -0.0184 -0.0135 0.0121 1320 VAL 92 HG21 -0.0146 -0.0115 0.0090 1321 VAL 92 HG22 -0.0153 -0.0088 0.0097 1322 VAL 92 HG23 -0.0121 -0.0096 0.0071 1323 ASN 93 N -0.0103 -0.0136 0.0117 1324 ASN 93 CA -0.0106 -0.0086 0.0158 1325 ASN 93 C -0.0092 -0.0031 0.0127 1326 ASN 93 O -0.0093 0.0011 0.0157 1327 ASN 93 CB -0.0119 -0.0106 0.0203 1328 ASN 93 CG -0.0135 -0.0153 0.0242 1329 ASN 93 OD1 -0.0138 -0.0150 0.0260 1330 ASN 93 ND2 -0.0143 -0.0198 0.0255 1331 ASN 93 H -0.0104 -0.0159 0.0110 1332 ASN 93 HA -0.0109 -0.0073 0.0178 1333 ASN 93 HB2 -0.0117 -0.0123 0.0182 1334 ASN 93 HB3 -0.0121 -0.0072 0.0227 1335 ASN 93 HD21 -0.0140 -0.0199 0.0241 1336 ASN 93 HD22 -0.0152 -0.0226 0.0278 1337 GLY 94 N -0.0066 -0.0039 0.0066 1338 GLY 94 CA -0.0043 -0.0002 0.0039 1339 GLY 94 C -0.0035 0.0005 0.0010 1340 GLY 94 O -0.0015 0.0037 -0.0014 1341 GLY 94 H -0.0076 -0.0060 0.0052 1342 GLY 94 HA2 -0.0041 -0.0004 0.0016 1343 GLY 94 HA3 -0.0032 0.0023 0.0060 1344 LYS 95 N -0.0034 -0.0013 0.0057 1345 LYS 95 CA -0.0025 -0.0007 0.0025 1346 LYS 95 C -0.0024 -0.0019 -0.0034 1347 LYS 95 O -0.0046 -0.0052 -0.0047 1348 LYS 95 CB -0.0048 -0.0035 0.0042 1349 LYS 95 CG -0.0039 -0.0029 0.0013 1350 LYS 95 CD -0.0066 -0.0067 0.0017 1351 LYS 95 CE -0.0058 -0.0064 -0.0018 1352 LYS 95 NZ -0.0028 -0.0028 -0.0055 1353 LYS 95 H -0.0053 -0.0037 0.0072 1354 LYS 95 HA -0.0005 0.0024 0.0029 1355 LYS 95 HB2 -0.0048 -0.0028 0.0079 1356 LYS 95 HB3 -0.0068 -0.0066 0.0035 1357 LYS 95 HG2 -0.0032 -0.0027 -0.0025 1358 LYS 95 HG3 -0.0023 -0.0002 0.0027 1359 LYS 95 HD2 -0.0071 -0.0067 0.0054 1360 LYS 95 HD3 -0.0084 -0.0095 0.0007 1361 LYS 95 HE2 -0.0058 -0.0059 0.0004 1362 LYS 95 HE3 -0.0074 -0.0092 -0.0040 1363 LYS 95 HZ1 -0.0028 -0.0032 -0.0077 1364 LYS 95 HZ2 -0.0025 -0.0028 -0.0074 1365 LYS 95 HZ3 -0.0013 -0.0002 -0.0036 1366 THR 96 N 0.0021 0.0037 -0.0082 1367 THR 96 CA 0.0017 0.0034 -0.0116 1368 THR 96 C 0.0004 0.0016 -0.0127 1369 THR 96 O 0.0007 0.0020 -0.0122 1370 THR 96 CB 0.0034 0.0059 -0.0134 1371 THR 96 OG1 0.0049 0.0079 -0.0119 1372 THR 96 CG2 0.0030 0.0056 -0.0167 1373 THR 96 H 0.0032 0.0052 -0.0077 1374 THR 96 HA 0.0012 0.0027 -0.0119 1375 THR 96 HB 0.0038 0.0064 -0.0136 1376 THR 96 HG1 0.0058 0.0093 -0.0129 1377 THR 96 HG21 0.0041 0.0072 -0.0176 1378 THR 96 HG22 0.0024 0.0049 -0.0181 1379 THR 96 HG23 0.0022 0.0044 -0.0167 1380 ILE 97 N -0.0005 -0.0004 -0.0082 1381 ILE 97 CA -0.0022 -0.0031 -0.0100 1382 ILE 97 C -0.0031 -0.0029 -0.0160 1383 ILE 97 O -0.0042 -0.0044 -0.0180 1384 ILE 97 CB -0.0045 -0.0083 -0.0076 1385 ILE 97 CG1 -0.0062 -0.0110 -0.0092 1386 ILE 97 CG2 -0.0035 -0.0082 -0.0016 1387 ILE 97 CD1 -0.0085 -0.0162 -0.0071 1388 ILE 97 H -0.0011 -0.0013 -0.0092 1389 ILE 97 HA -0.0013 -0.0017 -0.0088 1390 ILE 97 HB -0.0056 -0.0099 -0.0089 1391 ILE 97 HG12 -0.0052 -0.0095 -0.0079 1392 ILE 97 HG13 -0.0068 -0.0109 -0.0130 1393 ILE 97 HG21 -0.0049 -0.0114 -0.0000 1394 ILE 97 HG22 -0.0023 -0.0061 -0.0006 1395 ILE 97 HG23 -0.0027 -0.0070 -0.0003 1396 ILE 97 HD11 -0.0096 -0.0178 -0.0087 1397 ILE 97 HD12 -0.0094 -0.0177 -0.0080 1398 ILE 97 HD13 -0.0080 -0.0164 -0.0033 1399 SER 98 N -0.0016 0.0046 -0.0144 1400 SER 98 C -0.0004 0.0042 -0.0139 1401 SER 98 O 0.0006 0.0031 -0.0111 1402 SER 98 CA -0.0023 0.0052 -0.0158 1403 SER 98 CB -0.0060 0.0059 -0.0158 1404 SER 98 OG -0.0075 0.0052 -0.0126 1405 SER 98 H -0.0008 0.0038 -0.0125 1406 SER 98 HA -0.0014 0.0057 -0.0180 1407 SER 98 HB2 -0.0064 0.0064 -0.0172 1408 SER 98 HB3 -0.0072 0.0064 -0.0166 1409 SER 98 HG -0.0066 0.0048 -0.0119 1410 SER 98 CA -0.0024 0.0052 -0.0156 1411 SER 98 CB -0.0062 0.0057 -0.0150 1412 SER 98 OG -0.0072 0.0065 -0.0169 1413 SER 98 H -0.0007 0.0038 -0.0126 1414 SER 98 HA -0.0018 0.0058 -0.0180 1415 SER 98 HB2 -0.0074 0.0062 -0.0157 1416 SER 98 HB3 -0.0067 0.0051 -0.0127 1417 SER 98 HG -0.0058 0.0062 -0.0167 1418 GLY 99 N -0.0029 0.0089 -0.0098 1419 GLY 99 CA -0.0010 0.0089 -0.0090 1420 GLY 99 C 0.0032 0.0097 -0.0096 1421 GLY 99 O 0.0048 0.0104 -0.0107 1422 GLY 99 H -0.0037 0.0096 -0.0120 1423 GLY 99 HA2 -0.0022 0.0093 -0.0106 1424 GLY 99 HA3 -0.0014 0.0079 -0.0065 1425 PRO 100 N 0.0014 0.0209 -0.0047 1426 PRO 100 CA 0.0046 0.0189 -0.0060 1427 PRO 100 C 0.0100 0.0128 -0.0075 1428 PRO 100 O 0.0125 0.0106 -0.0084 1429 PRO 100 CB -0.0007 0.0169 -0.0018 1430 PRO 100 CG -0.0046 0.0139 0.0018 1431 PRO 100 CD -0.0045 0.0184 0.0002 1432 PRO 100 HA 0.0059 0.0229 -0.0084 1433 PRO 100 HB2 0.0010 0.0135 -0.0017 1434 PRO 100 HB3 -0.0031 0.0211 -0.0017 1435 PRO 100 HG2 -0.0027 0.0091 0.0023 1436 PRO 100 HG3 -0.0088 0.0142 0.0045 1437 PRO 100 HD2 -0.0047 0.0157 0.0013 1438 PRO 100 HD3 -0.0080 0.0224 0.0010 1439 ALA 101 N 0.0026 0.0169 -0.0175 1440 ALA 101 CA 0.0056 0.0143 -0.0171 1441 ALA 101 C 0.0085 0.0145 -0.0207 1442 ALA 101 O 0.0080 0.0169 -0.0234 1443 ALA 101 CB 0.0049 0.0138 -0.0156 1444 ALA 101 H 0.0009 0.0180 -0.0169 1445 ALA 101 HA 0.0063 0.0126 -0.0155 1446 ALA 101 HB1 0.0069 0.0120 -0.0154 1447 ALA 101 HB2 0.0031 0.0136 -0.0133 1448 ALA 101 HB3 0.0042 0.0155 -0.0173 1449 PRO 102 N 0.0158 0.0109 -0.0326 1450 PRO 102 CA 0.0227 0.0106 -0.0420 1451 PRO 102 C 0.0243 0.0101 -0.0426 1452 PRO 102 O 0.0300 0.0098 -0.0502 1453 PRO 102 CB 0.0328 0.0054 -0.0406 1454 PRO 102 CG 0.0323 0.0018 -0.0285 1455 PRO 102 CD 0.0215 0.0056 -0.0244 1456 PRO 102 HA 0.0203 0.0139 -0.0486 1457 PRO 102 HB2 0.0385 0.0037 -0.0439 1458 PRO 102 HB3 0.0329 0.0063 -0.0435 1459 PRO 102 HG2 0.0342 0.0001 -0.0260 1460 PRO 102 HG3 0.0369 -0.0011 -0.0264 1461 PRO 102 HD2 0.0195 0.0043 -0.0174 1462 PRO 102 HD3 0.0204 0.0060 -0.0239 1463 ARG 103 N 0.0145 0.0118 -0.0223 1464 ARG 103 CA 0.0123 0.0123 -0.0193 1465 ARG 103 C 0.0098 0.0123 -0.0172 1466 ARG 103 O 0.0102 0.0122 -0.0179 1467 ARG 103 CB 0.0146 0.0146 -0.0169 1468 ARG 103 CG 0.0176 0.0164 -0.0158 1469 ARG 103 CD 0.0186 0.0185 -0.0123 1470 ARG 103 NE 0.0155 0.0186 -0.0094 1471 ARG 103 CZ 0.0151 0.0200 -0.0063 1472 ARG 103 NH1 0.0177 0.0215 -0.0055 1473 ARG 103 NH2 0.0121 0.0199 -0.0038 1474 ARG 103 H 0.0145 0.0120 -0.0220 1475 ARG 103 HA 0.0108 0.0113 -0.0201 1476 ARG 103 HB2 0.0131 0.0150 -0.0147 1477 ARG 103 HB3 0.0159 0.0145 -0.0182 1478 ARG 103 HG2 0.0197 0.0164 -0.0176 1479 ARG 103 HG3 0.0166 0.0161 -0.0155 1480 ARG 103 HD2 0.0193 0.0187 -0.0125 1481 ARG 103 HD3 0.0206 0.0197 -0.0118 1482 ARG 103 HE 0.0137 0.0177 -0.0097 1483 ARG 103 HH11 0.0197 0.0216 -0.0070 1484 ARG 103 HH12 0.0174 0.0224 -0.0034 1485 ARG 103 HH21 0.0105 0.0190 -0.0042 1486 ARG 103 HH22 0.0119 0.0208 -0.0018 1487 GLY 104 N 0.0065 0.0118 -0.0102 1488 GLY 104 CA 0.0045 0.0099 -0.0086 1489 GLY 104 C 0.0055 0.0106 -0.0067 1490 GLY 104 O 0.0076 0.0126 -0.0067 1491 GLY 104 H 0.0070 0.0123 -0.0091 1492 GLY 104 HA2 0.0033 0.0088 -0.0103 1493 GLY 104 HA3 0.0038 0.0091 -0.0070 1494 MET 105 N 0.0020 0.0090 -0.0051 1495 MET 105 CA 0.0023 0.0090 -0.0038 1496 MET 105 C 0.0041 0.0103 -0.0014 1497 MET 105 O 0.0046 0.0105 -0.0000 1498 MET 105 CB 0.0004 0.0068 -0.0028 1499 MET 105 CG -0.0012 0.0057 -0.0053 1500 MET 105 SD -0.0037 0.0029 -0.0045 1501 MET 105 CE -0.0034 0.0027 -0.0021 1502 MET 105 H 0.0009 0.0078 -0.0049 1503 MET 105 HA 0.0026 0.0096 -0.0051 1504 MET 105 HB2 -0.0001 0.0060 -0.0017 1505 MET 105 HB3 0.0007 0.0068 -0.0016 1506 MET 105 HG2 -0.0008 0.0063 -0.0060 1507 MET 105 HG3 -0.0013 0.0060 -0.0067 1508 MET 105 HE1 -0.0047 0.0013 -0.0015 1509 MET 105 HE2 -0.0024 0.0033 -0.0004 1510 MET 105 HE3 -0.0028 0.0035 -0.0029 1511 TYR 106 N 0.0048 0.0113 -0.0055 1512 TYR 106 CA 0.0069 0.0120 -0.0036 1513 TYR 106 C 0.0055 0.0115 -0.0009 1514 TYR 106 O 0.0040 0.0109 0.0004 1515 TYR 106 CB 0.0089 0.0127 -0.0029 1516 TYR 106 CG 0.0103 0.0132 -0.0055 1517 TYR 106 CD1 0.0122 0.0140 -0.0068 1518 TYR 106 CD2 0.0098 0.0131 -0.0065 1519 TYR 106 CE1 0.0135 0.0145 -0.0091 1520 TYR 106 CE2 0.0111 0.0136 -0.0088 1521 TYR 106 CZ 0.0130 0.0143 -0.0101 1522 TYR 106 OH 0.0143 0.0148 -0.0124 1523 TYR 106 H 0.0048 0.0113 -0.0056 1524 TYR 106 HA 0.0078 0.0123 -0.0044 1525 TYR 106 HB2 0.0079 0.0123 -0.0020 1526 TYR 106 HB3 0.0102 0.0132 -0.0017 1527 TYR 106 HD1 0.0126 0.0141 -0.0061 1528 TYR 106 HD2 0.0085 0.0126 -0.0056 1529 TYR 106 HE1 0.0148 0.0150 -0.0100 1530 TYR 106 HE2 0.0107 0.0135 -0.0094 1531 TYR 106 HH 0.0143 0.0149 -0.0137 1532 SER 107 N 0.0042 0.0125 0.0007 1533 SER 107 CA 0.0045 0.0104 0.0030 1534 SER 107 C 0.0054 0.0115 0.0049 1535 SER 107 O 0.0064 0.0139 0.0059 1536 SER 107 CB 0.0049 0.0095 0.0048 1537 SER 107 OG 0.0060 0.0119 0.0061 1538 SER 107 H 0.0048 0.0141 0.0012 1539 SER 107 HA 0.0038 0.0087 0.0022 1540 SER 107 HB2 0.0051 0.0080 0.0062 1541 SER 107 HB3 0.0043 0.0088 0.0036 1542 SER 107 HG 0.0065 0.0124 0.0073 1543 SER 107 N 0.0042 0.0125 0.0007 1544 SER 107 CA 0.0046 0.0106 0.0031 1545 SER 107 C 0.0054 0.0117 0.0047 1546 SER 107 O 0.0062 0.0142 0.0051 1547 SER 107 CB 0.0052 0.0103 0.0051 1548 SER 107 OG 0.0056 0.0082 0.0075 1549 SER 107 H 0.0048 0.0141 0.0012 1550 SER 107 HA 0.0039 0.0087 0.0025 1551 SER 107 HB2 0.0047 0.0097 0.0041 1552 SER 107 HB3 0.0059 0.0122 0.0058 1553 SER 107 HG 0.0060 0.0088 0.0085 1554 TYR 108 N 0.0043 0.0052 -0.0002 1555 TYR 108 CA 0.0045 0.0051 -0.0000 1556 TYR 108 C 0.0052 0.0048 0.0007 1557 TYR 108 O 0.0054 0.0042 0.0009 1558 TYR 108 CB 0.0042 0.0043 -0.0005 1559 TYR 108 CG 0.0035 0.0046 -0.0012 1560 TYR 108 CD1 0.0031 0.0048 -0.0017 1561 TYR 108 CD2 0.0034 0.0047 -0.0014 1562 TYR 108 CE1 0.0025 0.0050 -0.0023 1563 TYR 108 CE2 0.0028 0.0049 -0.0020 1564 TYR 108 CZ 0.0024 0.0051 -0.0025 1565 TYR 108 OH 0.0018 0.0053 -0.0031 1566 TYR 108 H 0.0043 0.0047 -0.0004 1567 TYR 108 HA 0.0044 0.0057 -0.0001 1568 TYR 108 HB2 0.0042 0.0038 -0.0005 1569 TYR 108 HB3 0.0044 0.0042 -0.0003 1570 TYR 108 HD1 0.0032 0.0047 -0.0016 1571 TYR 108 HD2 0.0036 0.0045 -0.0011 1572 TYR 108 HE1 0.0022 0.0051 -0.0026 1573 TYR 108 HE2 0.0027 0.0049 -0.0022 1574 TYR 108 HH 0.0017 0.0050 -0.0033 1575 ARG 109 N 0.0070 0.0093 -0.0035 1576 ARG 109 CA 0.0090 0.0081 -0.0008 1577 ARG 109 C 0.0083 0.0047 -0.0004 1578 ARG 109 O 0.0072 0.0041 -0.0014 1579 ARG 109 CB 0.0108 0.0103 0.0004 1580 ARG 109 CG 0.0129 0.0092 0.0031 1581 ARG 109 CD 0.0145 0.0116 0.0041 1582 ARG 109 NE 0.0166 0.0107 0.0068 1583 ARG 109 CZ 0.0178 0.0108 0.0081 1584 ARG 109 NH1 0.0171 0.0116 0.0070 1585 ARG 109 NH2 0.0197 0.0100 0.0106 1586 ARG 109 H 0.0071 0.0110 -0.0040 1587 ARG 109 HA 0.0096 0.0081 -0.0001 1588 ARG 109 HB2 0.0112 0.0124 0.0001 1589 ARG 109 HB3 0.0101 0.0104 -0.0004 1590 ARG 109 HG2 0.0125 0.0072 0.0035 1591 ARG 109 HG3 0.0135 0.0091 0.0039 1592 ARG 109 HD2 0.0148 0.0137 0.0037 1593 ARG 109 HD3 0.0139 0.0116 0.0035 1594 ARG 109 HE 0.0172 0.0102 0.0077 1595 ARG 109 HH11 0.0158 0.0122 0.0054 1596 ARG 109 HH12 0.0178 0.0117 0.0079 1597 ARG 109 HH21 0.0202 0.0094 0.0114 1598 ARG 109 HH22 0.0205 0.0100 0.0115 1599 THR 110 N 0.0021 -0.0025 0.0001 1600 THR 110 CA 0.0014 -0.0043 0.0007 1601 THR 110 C 0.0033 -0.0052 0.0011 1602 THR 110 O 0.0048 -0.0041 0.0008 1603 THR 110 CB -0.0003 -0.0038 0.0004 1604 THR 110 OG1 -0.0019 -0.0027 -0.0001 1605 THR 110 CG2 -0.0012 -0.0056 0.0010 1606 THR 110 H 0.0029 -0.0017 -0.0002 1607 THR 110 HA 0.0009 -0.0053 0.0010 1608 THR 110 HB 0.0004 -0.0029 0.0001 1609 THR 110 HG1 -0.0029 -0.0024 -0.0002 1610 THR 110 HG21 -0.0024 -0.0053 0.0008 1611 THR 110 HG22 -0.0001 -0.0062 0.0012 1612 THR 110 HG23 -0.0016 -0.0066 0.0013 1613 THR 110 N 0.0021 -0.0025 0.0001 1614 THR 110 CA 0.0014 -0.0043 0.0007 1615 THR 110 C 0.0033 -0.0052 0.0011 1616 THR 110 O 0.0048 -0.0041 0.0008 1617 THR 110 CB -0.0002 -0.0037 0.0004 1618 THR 110 OG1 0.0007 -0.0024 -0.0000 1619 THR 110 CG2 -0.0022 -0.0028 -0.0001 1620 THR 110 H 0.0029 -0.0017 -0.0002 1621 THR 110 HA 0.0009 -0.0053 0.0010 1622 THR 110 HB -0.0007 -0.0050 0.0008 1623 THR 110 HG1 -0.0002 -0.0019 -0.0002 1624 THR 110 HG21 -0.0025 -0.0016 -0.0005 1625 THR 110 HG22 -0.0034 -0.0037 0.0002 1626 THR 110 HG23 -0.0018 -0.0024 -0.0002 1627 LYS 111 N 0.0016 -0.0074 -0.0067 1628 LYS 111 CA 0.0043 -0.0087 -0.0073 1629 LYS 111 C 0.0032 -0.0107 -0.0069 1630 LYS 111 O 0.0006 -0.0117 -0.0063 1631 LYS 111 CB 0.0064 -0.0107 -0.0077 1632 LYS 111 CG 0.0051 -0.0137 -0.0072 1633 LYS 111 CD 0.0073 -0.0156 -0.0077 1634 LYS 111 CE 0.0060 -0.0186 -0.0073 1635 LYS 111 NZ 0.0081 -0.0206 -0.0077 1636 LYS 111 H 0.0001 -0.0087 -0.0063 1637 LYS 111 HA 0.0055 -0.0070 -0.0076 1638 LYS 111 HB2 0.0083 -0.0111 -0.0081 1639 LYS 111 HB3 0.0068 -0.0095 -0.0078 1640 LYS 111 HG2 0.0032 -0.0134 -0.0068 1641 LYS 111 HG3 0.0046 -0.0150 -0.0071 1642 LYS 111 HD2 0.0091 -0.0161 -0.0081 1643 LYS 111 HD3 0.0078 -0.0143 -0.0079 1644 LYS 111 HE2 0.0042 -0.0182 -0.0069 1645 LYS 111 HE3 0.0053 -0.0199 -0.0070 1646 LYS 111 HZ1 0.0093 -0.0194 -0.0080 1647 LYS 111 HZ2 0.0071 -0.0219 -0.0074 1648 LYS 111 HZ3 0.0094 -0.0217 -0.0079 1649 VAL 112 N -0.0115 -0.0129 -0.0116 1650 VAL 112 CA -0.0110 -0.0113 -0.0119 1651 VAL 112 C -0.0115 -0.0119 -0.0141 1652 VAL 112 O -0.0118 -0.0120 -0.0161 1653 VAL 112 CB -0.0103 -0.0088 -0.0121 1654 VAL 112 CG1 -0.0099 -0.0071 -0.0124 1655 VAL 112 CG2 -0.0099 -0.0082 -0.0099 1656 VAL 112 H -0.0116 -0.0128 -0.0127 1657 VAL 112 HA -0.0109 -0.0114 -0.0105 1658 VAL 112 HB -0.0105 -0.0085 -0.0135 1659 VAL 112 HG11 -0.0095 -0.0055 -0.0125 1660 VAL 112 HG12 -0.0102 -0.0075 -0.0138 1661 VAL 112 HG13 -0.0098 -0.0073 -0.0109 1662 VAL 112 HG21 -0.0094 -0.0065 -0.0100 1663 VAL 112 HG22 -0.0098 -0.0085 -0.0085 1664 VAL 112 HG23 -0.0102 -0.0091 -0.0099 1665 GLU 113 N -0.0060 -0.0123 -0.0251 1666 GLU 113 CA -0.0045 -0.0157 -0.0278 1667 GLU 113 C -0.0060 -0.0126 -0.0235 1668 GLU 113 O -0.0066 -0.0131 -0.0163 1669 GLU 113 CB -0.0016 -0.0240 -0.0265 1670 GLU 113 CG -0.0001 -0.0275 -0.0284 1671 GLU 113 CD 0.0026 -0.0355 -0.0267 1672 GLU 113 OE1 0.0042 -0.0392 -0.0293 1673 GLU 113 OE2 0.0032 -0.0382 -0.0228 1674 GLU 113 H -0.0065 -0.0123 -0.0201 1675 GLU 113 HA -0.0043 -0.0146 -0.0333 1676 GLU 113 HB2 -0.0005 -0.0261 -0.0298 1677 GLU 113 HB3 -0.0017 -0.0252 -0.0212 1678 GLU 113 HG2 -0.0013 -0.0252 -0.0253 1679 GLU 113 HG3 0.0001 -0.0266 -0.0338 1680 ASN 114 N -0.0310 -0.0018 -0.0260 1681 ASN 114 CA -0.0283 0.0075 -0.0278 1682 ASN 114 C -0.0188 0.0082 -0.0256 1683 ASN 114 O -0.0133 0.0143 -0.0259 1684 ASN 114 CB -0.0295 0.0139 -0.0299 1685 ASN 114 CG -0.0391 0.0134 -0.0321 1686 ASN 114 OD1 -0.0455 0.0114 -0.0332 1687 ASN 114 ND2 -0.0401 0.0154 -0.0329 1688 ASN 114 H -0.0361 -0.0037 -0.0267 1689 ASN 114 HA -0.0322 0.0092 -0.0293 1690 ASN 114 HB2 -0.0255 0.0125 -0.0285 1691 ASN 114 HB3 -0.0280 0.0200 -0.0311 1692 ASN 114 HD21 -0.0454 0.0152 -0.0342 1693 ASN 114 HD22 -0.0354 0.0168 -0.0321 1694 ASN 115 N -0.0208 -0.0004 -0.0241 1695 ASN 115 CA -0.0179 0.0015 -0.0212 1696 ASN 115 C -0.0125 -0.0009 -0.0170 1697 ASN 115 O -0.0096 0.0010 -0.0142 1698 ASN 115 CB -0.0185 0.0087 -0.0202 1699 ASN 115 CG -0.0174 0.0108 -0.0189 1700 ASN 115 OD1 -0.0186 0.0078 -0.0206 1701 ASN 115 ND2 -0.0151 0.0157 -0.0159 1702 ASN 115 H -0.0226 -0.0032 -0.0262 1703 ASN 115 HA -0.0191 -0.0002 -0.0226 1704 ASN 115 HB2 -0.0218 0.0105 -0.0228 1705 ASN 115 HB3 -0.0162 0.0104 -0.0179 1706 ASN 115 HD21 -0.0142 0.0176 -0.0148 1707 ASN 115 HD22 -0.0144 0.0171 -0.0151 1708 ASN 115 N -0.0208 -0.0004 -0.0241 1709 ASN 115 CA -0.0179 0.0015 -0.0212 1710 ASN 115 C -0.0125 -0.0010 -0.0171 1711 ASN 115 O -0.0096 0.0008 -0.0142 1712 ASN 115 CB -0.0184 0.0087 -0.0202 1713 ASN 115 CG -0.0235 0.0114 -0.0241 1714 ASN 115 OD1 -0.0260 0.0083 -0.0269 1715 ASN 115 ND2 -0.0250 0.0172 -0.0242 1716 ASN 115 H -0.0226 -0.0032 -0.0263 1717 ASN 115 HA -0.0191 -0.0003 -0.0227 1718 ASN 115 HB2 -0.0178 0.0106 -0.0193 1719 ASN 115 HB3 -0.0162 0.0097 -0.0181 1720 ASN 115 HD21 -0.0232 0.0192 -0.0222 1721 ASN 115 HD22 -0.0279 0.0190 -0.0263 1722 THR 116 N -0.0087 -0.0058 -0.0131 1723 THR 116 CA -0.0065 -0.0083 -0.0091 1724 THR 116 C -0.0064 -0.0124 -0.0093 1725 THR 116 O -0.0081 -0.0150 -0.0125 1726 THR 116 CB -0.0059 -0.0103 -0.0082 1727 THR 116 OG1 -0.0057 -0.0063 -0.0075 1728 THR 116 CG2 -0.0037 -0.0135 -0.0043 1729 THR 116 H -0.0098 -0.0074 -0.0151 1730 THR 116 HA -0.0053 -0.0062 -0.0067 1731 THR 116 HB -0.0071 -0.0123 -0.0106 1732 THR 116 HG1 -0.0054 -0.0074 -0.0070 1733 THR 116 HG21 -0.0032 -0.0139 -0.0033 1734 THR 116 HG22 -0.0040 -0.0166 -0.0050 1735 THR 116 HG23 -0.0025 -0.0119 -0.0020 1736 VAL 117 N -0.0058 -0.0124 -0.0041 1737 VAL 117 CA -0.0058 -0.0127 -0.0040 1738 VAL 117 C -0.0057 -0.0147 -0.0034 1739 VAL 117 O -0.0060 -0.0152 -0.0019 1740 VAL 117 CB -0.0062 -0.0113 -0.0028 1741 VAL 117 CG1 -0.0062 -0.0116 -0.0027 1742 VAL 117 CG2 -0.0063 -0.0093 -0.0034 1743 VAL 117 H -0.0061 -0.0119 -0.0031 1744 VAL 117 HA -0.0055 -0.0126 -0.0053 1745 VAL 117 HB -0.0065 -0.0115 -0.0016 1746 VAL 117 HG11 -0.0064 -0.0106 -0.0021 1747 VAL 117 HG12 -0.0062 -0.0128 -0.0021 1748 VAL 117 HG13 -0.0059 -0.0117 -0.0039 1749 VAL 117 HG21 -0.0065 -0.0085 -0.0027 1750 VAL 117 HG22 -0.0060 -0.0092 -0.0047 1751 VAL 117 HG23 -0.0063 -0.0091 -0.0033 1752 PHE 118 N -0.0010 -0.0145 -0.0034 1753 PHE 118 CA -0.0011 -0.0165 -0.0029 1754 PHE 118 C -0.0013 -0.0146 -0.0030 1755 PHE 118 O -0.0001 -0.0126 -0.0045 1756 PHE 118 CB 0.0011 -0.0187 -0.0043 1757 PHE 118 CG 0.0013 -0.0211 -0.0040 1758 PHE 118 CD1 0.0003 -0.0237 -0.0027 1759 PHE 118 CD2 0.0024 -0.0208 -0.0051 1760 PHE 118 CE1 0.0005 -0.0259 -0.0024 1761 PHE 118 CE2 0.0026 -0.0229 -0.0049 1762 PHE 118 CZ 0.0016 -0.0255 -0.0035 1763 PHE 118 H 0.0002 -0.0135 -0.0046 1764 PHE 118 HA -0.0024 -0.0175 -0.0015 1765 PHE 118 HB2 0.0024 -0.0177 -0.0057 1766 PHE 118 HB3 0.0011 -0.0197 -0.0041 1767 PHE 118 HD1 -0.0005 -0.0240 -0.0019 1768 PHE 118 HD2 0.0031 -0.0190 -0.0061 1769 PHE 118 HE1 -0.0001 -0.0277 -0.0015 1770 PHE 118 HE2 0.0034 -0.0227 -0.0056 1771 PHE 118 HZ 0.0017 -0.0270 -0.0033 1772 VAL 119 N 0.0010 -0.0086 -0.0009 1773 VAL 119 CA 0.0008 -0.0067 -0.0014 1774 VAL 119 C 0.0014 -0.0061 -0.0014 1775 VAL 119 O 0.0009 -0.0070 -0.0013 1776 VAL 119 CB -0.0010 -0.0062 -0.0022 1777 VAL 119 CG1 -0.0014 -0.0066 -0.0022 1778 VAL 119 CG2 -0.0023 -0.0071 -0.0024 1779 VAL 119 H 0.0003 -0.0092 -0.0009 1780 VAL 119 HA 0.0016 -0.0061 -0.0013 1781 VAL 119 HB -0.0010 -0.0049 -0.0025 1782 VAL 119 HG11 -0.0026 -0.0063 -0.0027 1783 VAL 119 HG12 -0.0006 -0.0059 -0.0022 1784 VAL 119 HG13 -0.0013 -0.0078 -0.0019 1785 VAL 119 HG21 -0.0034 -0.0068 -0.0029 1786 VAL 119 HG22 -0.0022 -0.0083 -0.0020 1787 VAL 119 HG23 -0.0021 -0.0067 -0.0024 1788 ASP 120 N 0.0046 -0.0005 -0.0029 1789 ASP 120 CA 0.0063 0.0028 -0.0028 1790 ASP 120 C 0.0046 0.0057 -0.0060 1791 ASP 120 O 0.0049 0.0080 -0.0069 1792 ASP 120 CB 0.0094 0.0047 -0.0004 1793 ASP 120 CG 0.0111 0.0083 -0.0004 1794 ASP 120 OD1 0.0100 0.0091 -0.0020 1795 ASP 120 OD2 0.0136 0.0102 0.0013 1796 ASP 120 H 0.0049 -0.0001 -0.0028 1797 ASP 120 HA 0.0064 0.0018 -0.0022 1798 ASP 120 HB2 0.0105 0.0028 0.0016 1799 ASP 120 HB3 0.0092 0.0054 -0.0009 1800 TYR 121 N 0.0050 0.0075 -0.0034 1801 TYR 121 CA 0.0038 0.0086 -0.0042 1802 TYR 121 C 0.0034 0.0106 -0.0036 1803 TYR 121 O 0.0025 0.0117 -0.0041 1804 TYR 121 CB 0.0027 0.0079 -0.0059 1805 TYR 121 CG 0.0021 0.0082 -0.0064 1806 TYR 121 CD1 0.0027 0.0070 -0.0064 1807 TYR 121 CD2 0.0011 0.0098 -0.0068 1808 TYR 121 CE1 0.0021 0.0072 -0.0069 1809 TYR 121 CE2 0.0006 0.0100 -0.0072 1810 TYR 121 CZ 0.0011 0.0088 -0.0073 1811 TYR 121 OH 0.0006 0.0091 -0.0077 1812 TYR 121 H 0.0049 0.0068 -0.0040 1813 TYR 121 HA 0.0041 0.0084 -0.0040 1814 TYR 121 HB2 0.0019 0.0086 -0.0064 1815 TYR 121 HB3 0.0030 0.0067 -0.0062 1816 TYR 121 HD1 0.0034 0.0059 -0.0062 1817 TYR 121 HD2 0.0007 0.0106 -0.0068 1818 TYR 121 HE1 0.0025 0.0064 -0.0069 1819 TYR 121 HE2 -0.0001 0.0111 -0.0075 1820 TYR 121 HH -0.0000 0.0101 -0.0079 1821 ALA 122 N 0.0076 0.0175 -0.0077 1822 ALA 122 CA 0.0089 0.0238 -0.0069 1823 ALA 122 C 0.0114 0.0264 -0.0044 1824 ALA 122 O 0.0128 0.0316 -0.0034 1825 ALA 122 CB 0.0112 0.0245 -0.0044 1826 ALA 122 H 0.0092 0.0151 -0.0056 1827 ALA 122 HA 0.0067 0.0260 -0.0098 1828 ALA 122 HB1 0.0117 0.0287 -0.0043 1829 ALA 122 HB2 0.0097 0.0225 -0.0060 1830 ALA 122 HB3 0.0137 0.0227 -0.0014 1831 ALA 123 N 0.0099 0.0183 -0.0028 1832 ALA 123 CA 0.0113 0.0195 -0.0014 1833 ALA 123 C 0.0102 0.0189 -0.0025 1834 ALA 123 O 0.0109 0.0171 -0.0017 1835 ALA 123 CB 0.0135 0.0179 0.0008 1836 ALA 123 H 0.0093 0.0166 -0.0033 1837 ALA 123 HA 0.0115 0.0217 -0.0013 1838 ALA 123 HB1 0.0146 0.0193 0.0018 1839 ALA 123 HB2 0.0138 0.0173 0.0011 1840 ALA 123 HB3 0.0134 0.0161 0.0008 1841 ILE 124 N 0.0101 0.0179 0.0023 1842 ILE 124 CA 0.0094 0.0178 0.0017 1843 ILE 124 C 0.0099 0.0205 0.0029 1844 ILE 124 O 0.0095 0.0229 0.0032 1845 ILE 124 CB 0.0069 0.0176 -0.0005 1846 ILE 124 CG1 0.0064 0.0148 -0.0017 1847 ILE 124 CG2 0.0062 0.0177 -0.0011 1848 ILE 124 CD1 0.0040 0.0148 -0.0038 1849 ILE 124 H 0.0091 0.0190 0.0017 1850 ILE 124 HA 0.0103 0.0162 0.0020 1851 ILE 124 HB 0.0059 0.0192 -0.0008 1852 ILE 124 HG12 0.0069 0.0132 -0.0018 1853 ILE 124 HG13 0.0074 0.0145 -0.0010 1854 ILE 124 HG21 0.0047 0.0171 -0.0025 1855 ILE 124 HG22 0.0060 0.0197 -0.0006 1856 ILE 124 HG23 0.0073 0.0165 -0.0005 1857 ILE 124 HD11 0.0039 0.0130 -0.0044 1858 ILE 124 HD12 0.0035 0.0164 -0.0037 1859 ILE 124 HD13 0.0030 0.0151 -0.0045 1860 THR 125 N 0.0097 0.0266 0.0054 1861 THR 125 CA 0.0111 0.0308 0.0095 1862 THR 125 C 0.0089 0.0314 0.0071 1863 THR 125 O 0.0086 0.0268 0.0040 1864 THR 125 CB 0.0163 0.0278 0.0145 1865 THR 125 OG1 0.0185 0.0281 0.0174 1866 THR 125 CG2 0.0178 0.0314 0.0184 1867 THR 125 OXT 0.0075 0.0368 0.0084 1868 THR 125 H 0.0108 0.0227 0.0045 1869 THR 125 HA 0.0101 0.0351 0.0107 1870 THR 125 HB 0.0173 0.0234 0.0131 1871 THR 125 HG1 0.0169 0.0276 0.0151 1872 THR 125 HG21 0.0210 0.0307 0.0221 1873 THR 125 HG22 0.0175 0.0299 0.0171 1874 THR 125 HG23 0.0160 0.0360 0.0187