1 ALA 8 N 0.0117 0.0028 0.0004 2 ALA 8 CA 0.0138 0.0035 0.0020 3 ALA 8 C 0.0137 0.0038 0.0036 4 ALA 8 O 0.0151 0.0044 0.0053 5 ALA 8 CB 0.0163 0.0036 0.0004 6 ALA 8 HA 0.0137 0.0037 0.0031 7 ALA 8 HB1 0.0176 0.0041 0.0015 8 ALA 8 HB2 0.0164 0.0035 -0.0004 9 ALA 8 HB3 0.0163 0.0034 -0.0008 10 ASP 9 N 0.0116 0.0034 0.0022 11 ASP 9 CA 0.0110 0.0041 0.0056 12 ASP 9 C 0.0063 0.0031 0.0054 13 ASP 9 O 0.0055 0.0024 0.0028 14 ASP 9 CB 0.0146 0.0047 0.0053 15 ASP 9 CG 0.0146 0.0056 0.0094 16 ASP 9 OD1 0.0133 0.0062 0.0131 17 ASP 9 OD2 0.0158 0.0058 0.0091 18 ASP 9 H 0.0100 0.0026 -0.0001 19 ASP 9 HA 0.0112 0.0047 0.0085 20 ASP 9 HB2 0.0175 0.0052 0.0049 21 ASP 9 HB3 0.0140 0.0040 0.0027 22 PHE 10 N 0.0068 -0.0020 0.0031 23 PHE 10 CA 0.0047 -0.0026 0.0032 24 PHE 10 C 0.0036 -0.0034 0.0043 25 PHE 10 O 0.0043 -0.0039 0.0058 26 PHE 10 CB 0.0047 -0.0030 0.0041 27 PHE 10 CG 0.0050 -0.0023 0.0028 28 PHE 10 CD1 0.0035 -0.0021 0.0015 29 PHE 10 CD2 0.0068 -0.0019 0.0029 30 PHE 10 CE1 0.0037 -0.0015 0.0004 31 PHE 10 CE2 0.0070 -0.0013 0.0018 32 PHE 10 CZ 0.0055 -0.0011 0.0005 33 PHE 10 H 0.0076 -0.0022 0.0039 34 PHE 10 HA 0.0041 -0.0022 0.0019 35 PHE 10 HB2 0.0058 -0.0032 0.0051 36 PHE 10 HB3 0.0035 -0.0036 0.0046 37 PHE 10 HD1 0.0023 -0.0024 0.0014 38 PHE 10 HD2 0.0078 -0.0021 0.0038 39 PHE 10 HE1 0.0027 -0.0014 -0.0005 40 PHE 10 HE2 0.0082 -0.0011 0.0019 41 PHE 10 HZ 0.0057 -0.0007 -0.0003 42 ILE 11 N 0.0013 -0.0046 0.0060 43 ILE 11 CA -0.0009 -0.0057 0.0073 44 ILE 11 C -0.0039 -0.0067 0.0077 45 ILE 11 O -0.0054 -0.0061 0.0057 46 ILE 11 CB -0.0016 -0.0049 0.0053 47 ILE 11 CG1 0.0014 -0.0039 0.0048 48 ILE 11 CG2 -0.0041 -0.0062 0.0065 49 ILE 11 CD1 0.0030 -0.0048 0.0075 50 ILE 11 H 0.0005 -0.0040 0.0044 51 ILE 11 HA 0.0001 -0.0064 0.0092 52 ILE 11 HB -0.0026 -0.0042 0.0033 53 ILE 11 HG12 0.0029 -0.0032 0.0039 54 ILE 11 HG13 0.0008 -0.0034 0.0034 55 ILE 11 HG21 -0.0041 -0.0057 0.0056 56 ILE 11 HG22 -0.0062 -0.0065 0.0062 57 ILE 11 HG23 -0.0035 -0.0071 0.0087 58 ILE 11 HD11 0.0049 -0.0041 0.0070 59 ILE 11 HD12 0.0016 -0.0056 0.0084 60 ILE 11 HD13 0.0037 -0.0053 0.0089 61 GLY 12 N -0.0009 -0.0113 0.0026 62 GLY 12 CA -0.0021 -0.0122 0.0028 63 GLY 12 C -0.0045 -0.0120 0.0020 64 GLY 12 O -0.0054 -0.0124 0.0019 65 GLY 12 H -0.0005 -0.0121 0.0032 66 GLY 12 HA2 -0.0016 -0.0115 0.0025 67 GLY 12 HA3 -0.0019 -0.0135 0.0038 68 ILE 13 N -0.0051 -0.0114 0.0001 69 ILE 13 CA -0.0074 -0.0110 -0.0005 70 ILE 13 C -0.0084 -0.0120 -0.0002 71 ILE 13 O -0.0103 -0.0116 -0.0007 72 ILE 13 CB -0.0076 -0.0087 -0.0016 73 ILE 13 CG1 -0.0064 -0.0077 -0.0019 74 ILE 13 CG2 -0.0070 -0.0078 -0.0019 75 ILE 13 CD1 -0.0070 -0.0056 -0.0030 76 ILE 13 H -0.0043 -0.0112 0.0001 77 ILE 13 HA -0.0081 -0.0116 -0.0003 78 ILE 13 HB -0.0092 -0.0085 -0.0020 79 ILE 13 HG12 -0.0048 -0.0076 -0.0016 80 ILE 13 HG13 -0.0067 -0.0084 -0.0015 81 ILE 13 HG21 -0.0073 -0.0064 -0.0026 82 ILE 13 HG22 -0.0078 -0.0085 -0.0017 83 ILE 13 HG23 -0.0054 -0.0080 -0.0016 84 ILE 13 HD11 -0.0063 -0.0050 -0.0031 85 ILE 13 HD12 -0.0086 -0.0056 -0.0032 86 ILE 13 HD13 -0.0066 -0.0047 -0.0033 87 GLY 14 N -0.0061 -0.0146 -0.0003 88 GLY 14 CA -0.0067 -0.0155 -0.0001 89 GLY 14 C -0.0048 -0.0156 0.0001 90 GLY 14 O -0.0030 -0.0148 -0.0000 91 GLY 14 H -0.0048 -0.0149 -0.0001 92 GLY 14 HA2 -0.0072 -0.0169 0.0003 93 GLY 14 HA3 -0.0078 -0.0147 -0.0004 94 LYS 15 N -0.0060 -0.0172 0.0000 95 LYS 15 CA -0.0032 -0.0173 -0.0000 96 LYS 15 C -0.0031 -0.0141 -0.0008 97 LYS 15 O -0.0058 -0.0126 -0.0011 98 LYS 15 CB -0.0036 -0.0201 0.0007 99 LYS 15 CG -0.0032 -0.0235 0.0015 100 LYS 15 CD -0.0038 -0.0262 0.0021 101 LYS 15 CE -0.0018 -0.0257 0.0019 102 LYS 15 NZ -0.0025 -0.0283 0.0026 103 LYS 15 H -0.0078 -0.0182 0.0003 104 LYS 15 HA -0.0011 -0.0175 0.0000 105 LYS 15 HB2 -0.0059 -0.0200 0.0007 106 LYS 15 HB3 -0.0019 -0.0199 0.0006 107 LYS 15 HG2 -0.0009 -0.0238 0.0015 108 LYS 15 HG3 -0.0048 -0.0238 0.0016 109 LYS 15 HD2 -0.0032 -0.0283 0.0026 110 LYS 15 HD3 -0.0062 -0.0262 0.0021 111 LYS 15 HE2 -0.0024 -0.0236 0.0015 112 LYS 15 HE3 0.0006 -0.0257 0.0019 113 LYS 15 HZ1 -0.0047 -0.0284 0.0026 114 LYS 15 HZ2 -0.0014 -0.0279 0.0025 115 LYS 15 HZ3 -0.0018 -0.0303 0.0030 116 LEU 16 N -0.0013 -0.0125 -0.0010 117 LEU 16 CA -0.0014 -0.0099 -0.0022 118 LEU 16 C -0.0036 -0.0091 -0.0018 119 LEU 16 O -0.0049 -0.0071 -0.0024 120 LEU 16 CB 0.0013 -0.0095 -0.0032 121 LEU 16 CG 0.0015 -0.0068 -0.0044 122 LEU 16 CD1 0.0017 -0.0050 -0.0053 123 LEU 16 CD2 0.0040 -0.0069 -0.0052 124 LEU 16 H 0.0001 -0.0135 -0.0010 125 LEU 16 HA -0.0016 -0.0088 -0.0026 126 LEU 16 HB2 0.0026 -0.0098 -0.0034 127 LEU 16 HB3 0.0017 -0.0106 -0.0028 128 LEU 16 HG 0.0000 -0.0063 -0.0042 129 LEU 16 HD11 0.0018 -0.0033 -0.0061 130 LEU 16 HD12 0.0001 -0.0050 -0.0048 131 LEU 16 HD13 0.0032 -0.0055 -0.0055 132 LEU 16 HD21 0.0041 -0.0053 -0.0059 133 LEU 16 HD22 0.0056 -0.0073 -0.0054 134 LEU 16 HD23 0.0040 -0.0082 -0.0046 135 ASP 17 N -0.0029 -0.0112 -0.0013 136 ASP 17 CA -0.0050 -0.0107 -0.0010 137 ASP 17 C -0.0085 -0.0109 -0.0003 138 ASP 17 O -0.0106 -0.0102 -0.0000 139 ASP 17 CB -0.0042 -0.0128 -0.0005 140 ASP 17 CG -0.0031 -0.0159 0.0003 141 ASP 17 OD1 -0.0008 -0.0164 0.0000 142 ASP 17 OD2 -0.0043 -0.0180 0.0013 143 ASP 17 H -0.0019 -0.0130 -0.0009 144 ASP 17 HA -0.0048 -0.0087 -0.0018 145 ASP 17 HB2 -0.0060 -0.0129 -0.0001 146 ASP 17 HB3 -0.0025 -0.0119 -0.0012 147 ASP 18 N -0.0066 -0.0113 -0.0012 148 ASP 18 CA -0.0097 -0.0109 -0.0005 149 ASP 18 C -0.0107 -0.0076 -0.0009 150 ASP 18 O -0.0134 -0.0069 -0.0003 151 ASP 18 CB -0.0104 -0.0126 0.0001 152 ASP 18 CG -0.0099 -0.0160 0.0007 153 ASP 18 OD1 -0.0099 -0.0172 0.0010 154 ASP 18 OD2 -0.0096 -0.0175 0.0010 155 ASP 18 H -0.0055 -0.0122 -0.0013 156 ASP 18 HA -0.0108 -0.0117 0.0000 157 ASP 18 HB2 -0.0091 -0.0120 -0.0004 158 ASP 18 HB3 -0.0125 -0.0122 0.0006 159 PHE 19 N -0.0084 -0.0043 -0.0033 160 PHE 19 CA -0.0088 -0.0024 -0.0038 161 PHE 19 C -0.0089 -0.0007 -0.0045 162 PHE 19 O -0.0075 -0.0007 -0.0051 163 PHE 19 CB -0.0073 -0.0022 -0.0046 164 PHE 19 CG -0.0073 -0.0036 -0.0040 165 PHE 19 CD1 -0.0087 -0.0033 -0.0035 166 PHE 19 CD2 -0.0061 -0.0054 -0.0039 167 PHE 19 CE1 -0.0088 -0.0047 -0.0029 168 PHE 19 CE2 -0.0062 -0.0068 -0.0033 169 PHE 19 CZ -0.0076 -0.0064 -0.0028 170 PHE 19 H -0.0072 -0.0045 -0.0037 171 PHE 19 HA -0.0101 -0.0022 -0.0033 172 PHE 19 HB2 -0.0060 -0.0024 -0.0051 173 PHE 19 HB3 -0.0076 -0.0008 -0.0050 174 PHE 19 HD1 -0.0096 -0.0021 -0.0036 175 PHE 19 HD2 -0.0052 -0.0057 -0.0042 176 PHE 19 HE1 -0.0098 -0.0044 -0.0025 177 PHE 19 HE2 -0.0053 -0.0079 -0.0033 178 PHE 19 HZ -0.0076 -0.0074 -0.0024 179 PRO 20 N -0.0083 0.0027 -0.0037 180 PRO 20 CA -0.0084 0.0044 -0.0044 181 PRO 20 C -0.0077 0.0053 -0.0056 182 PRO 20 O -0.0077 0.0052 -0.0055 183 PRO 20 CB -0.0098 0.0054 -0.0032 184 PRO 20 CG -0.0104 0.0040 -0.0019 185 PRO 20 CD -0.0095 0.0026 -0.0023 186 PRO 20 HA -0.0081 0.0043 -0.0047 187 PRO 20 HB2 -0.0100 0.0061 -0.0033 188 PRO 20 HB3 -0.0100 0.0060 -0.0033 189 PRO 20 HG2 -0.0112 0.0045 -0.0012 190 PRO 20 HG3 -0.0104 0.0036 -0.0016 191 PRO 20 HD2 -0.0097 0.0029 -0.0022 192 PRO 20 HD3 -0.0096 0.0015 -0.0017 193 VAL 21 N -0.0091 0.0081 -0.0056 194 VAL 21 CA -0.0084 0.0089 -0.0077 195 VAL 21 C -0.0094 0.0102 -0.0078 196 VAL 21 O -0.0109 0.0115 -0.0070 197 VAL 21 CB -0.0083 0.0100 -0.0091 198 VAL 21 CG1 -0.0080 0.0113 -0.0111 199 VAL 21 CG2 -0.0071 0.0086 -0.0092 200 VAL 21 H -0.0095 0.0084 -0.0053 201 VAL 21 HA -0.0072 0.0079 -0.0082 202 VAL 21 HB -0.0094 0.0109 -0.0084 203 VAL 21 HG11 -0.0076 0.0116 -0.0121 204 VAL 21 HG12 -0.0090 0.0124 -0.0110 205 VAL 21 HG13 -0.0071 0.0106 -0.0116 206 VAL 21 HG21 -0.0070 0.0093 -0.0101 207 VAL 21 HG22 -0.0060 0.0077 -0.0098 208 VAL 21 HG23 -0.0074 0.0079 -0.0079 209 GLY 22 N -0.0067 0.0104 -0.0081 210 GLY 22 CA -0.0066 0.0103 -0.0078 211 GLY 22 C -0.0061 0.0101 -0.0060 212 GLY 22 O -0.0060 0.0100 -0.0057 213 GLY 22 H -0.0065 0.0095 -0.0086 214 GLY 22 HA2 -0.0064 0.0094 -0.0086 215 GLY 22 HA3 -0.0071 0.0113 -0.0082 216 ILE 23 N -0.0062 0.0080 -0.0063 217 ILE 23 CA -0.0058 0.0079 -0.0048 218 ILE 23 C -0.0056 0.0065 -0.0044 219 ILE 23 O -0.0056 0.0064 -0.0046 220 ILE 23 CB -0.0057 0.0093 -0.0042 221 ILE 23 CG1 -0.0060 0.0106 -0.0046 222 ILE 23 CG2 -0.0053 0.0091 -0.0026 223 ILE 23 CD1 -0.0059 0.0120 -0.0038 224 ILE 23 H -0.0063 0.0080 -0.0067 225 ILE 23 HA -0.0057 0.0079 -0.0044 226 ILE 23 HB -0.0059 0.0093 -0.0045 227 ILE 23 HG12 -0.0059 0.0105 -0.0044 228 ILE 23 HG13 -0.0063 0.0108 -0.0056 229 ILE 23 HG21 -0.0053 0.0100 -0.0022 230 ILE 23 HG22 -0.0052 0.0083 -0.0024 231 ILE 23 HG23 -0.0052 0.0091 -0.0022 232 ILE 23 HD11 -0.0061 0.0128 -0.0043 233 ILE 23 HD12 -0.0059 0.0120 -0.0038 234 ILE 23 HD13 -0.0056 0.0120 -0.0028 235 PRO 24 N -0.0034 0.0058 -0.0057 236 PRO 24 CA -0.0040 0.0046 -0.0055 237 PRO 24 C -0.0044 0.0042 -0.0051 238 PRO 24 O -0.0043 0.0048 -0.0044 239 PRO 24 CB -0.0044 0.0046 -0.0045 240 PRO 24 CG -0.0039 0.0056 -0.0046 241 PRO 24 CD -0.0034 0.0065 -0.0049 242 PRO 24 HA -0.0040 0.0041 -0.0063 243 PRO 24 HB2 -0.0046 0.0046 -0.0037 244 PRO 24 HB3 -0.0047 0.0038 -0.0046 245 PRO 24 HG2 -0.0041 0.0058 -0.0038 246 PRO 24 HG3 -0.0038 0.0054 -0.0052 247 PRO 24 HD2 -0.0034 0.0069 -0.0042 248 PRO 24 HD3 -0.0030 0.0071 -0.0054 249 LYS 25 N -0.0072 0.0010 -0.0048 250 LYS 25 CA -0.0075 0.0003 -0.0041 251 LYS 25 C -0.0075 -0.0007 -0.0039 252 LYS 25 O -0.0071 -0.0012 -0.0045 253 LYS 25 CB -0.0073 -0.0000 -0.0044 254 LYS 25 CG -0.0074 0.0009 -0.0045 255 LYS 25 CD -0.0080 0.0014 -0.0036 256 LYS 25 CE -0.0081 0.0025 -0.0036 257 LYS 25 NZ -0.0084 0.0025 -0.0032 258 LYS 25 H -0.0068 0.0006 -0.0053 259 LYS 25 HA -0.0079 0.0007 -0.0036 260 LYS 25 HB2 -0.0069 -0.0003 -0.0050 261 LYS 25 HB3 -0.0075 -0.0006 -0.0040 262 LYS 25 HG2 -0.0072 0.0015 -0.0049 263 LYS 25 HG3 -0.0072 0.0007 -0.0047 264 LYS 25 HD2 -0.0082 0.0009 -0.0032 265 LYS 25 HD3 -0.0082 0.0014 -0.0033 266 LYS 25 HE2 -0.0084 0.0030 -0.0033 267 LYS 25 HE3 -0.0077 0.0027 -0.0043 268 LYS 25 HZ1 -0.0085 0.0032 -0.0032 269 LYS 25 HZ2 -0.0082 0.0021 -0.0034 270 LYS 25 HZ3 -0.0088 0.0023 -0.0026 271 LYS 26 N -0.0082 -0.0006 -0.0063 272 LYS 26 CA -0.0084 -0.0003 -0.0064 273 LYS 26 C -0.0085 0.0005 -0.0068 274 LYS 26 O -0.0081 0.0007 -0.0072 275 LYS 26 CB -0.0078 -0.0006 -0.0066 276 LYS 26 CG -0.0079 -0.0004 -0.0067 277 LYS 26 CD -0.0074 -0.0009 -0.0066 278 LYS 26 CE -0.0066 -0.0011 -0.0069 279 LYS 26 NZ -0.0061 -0.0013 -0.0071 280 LYS 26 H -0.0077 -0.0007 -0.0065 281 LYS 26 HA -0.0088 -0.0004 -0.0061 282 LYS 26 HB2 -0.0076 -0.0011 -0.0063 283 LYS 26 HB3 -0.0074 -0.0004 -0.0069 284 LYS 26 HG2 -0.0078 0.0001 -0.0070 285 LYS 26 HG3 -0.0083 -0.0004 -0.0064 286 LYS 26 HD2 -0.0073 -0.0007 -0.0067 287 LYS 26 HD3 -0.0075 -0.0013 -0.0063 288 LYS 26 HE2 -0.0065 -0.0015 -0.0067 289 LYS 26 HE3 -0.0065 -0.0008 -0.0072 290 LYS 26 HZ1 -0.0063 -0.0014 -0.0069 291 LYS 26 HZ2 -0.0057 -0.0016 -0.0071 292 LYS 26 HZ3 -0.0060 -0.0009 -0.0074 293 VAL 27 N -0.0118 -0.0048 -0.0067 294 VAL 27 CA -0.0117 -0.0056 -0.0066 295 VAL 27 C -0.0118 -0.0051 -0.0067 296 VAL 27 O -0.0116 -0.0041 -0.0067 297 VAL 27 CB -0.0107 -0.0063 -0.0062 298 VAL 27 CG1 -0.0106 -0.0069 -0.0061 299 VAL 27 CG2 -0.0097 -0.0055 -0.0059 300 VAL 27 H -0.0114 -0.0041 -0.0066 301 VAL 27 HA -0.0123 -0.0062 -0.0068 302 VAL 27 HB -0.0107 -0.0069 -0.0061 303 VAL 27 HG11 -0.0099 -0.0074 -0.0058 304 VAL 27 HG12 -0.0112 -0.0074 -0.0063 305 VAL 27 HG13 -0.0105 -0.0063 -0.0061 306 VAL 27 HG21 -0.0090 -0.0059 -0.0056 307 VAL 27 HG22 -0.0098 -0.0048 -0.0060 308 VAL 27 HG23 -0.0097 -0.0053 -0.0059 309 ALA 28 N -0.0157 -0.0092 -0.0062 310 ALA 28 CA -0.0157 -0.0085 -0.0063 311 ALA 28 C -0.0130 -0.0082 -0.0055 312 ALA 28 O -0.0113 -0.0095 -0.0048 313 ALA 28 CB -0.0171 -0.0106 -0.0065 314 ALA 28 H -0.0161 -0.0108 -0.0062 315 ALA 28 HA -0.0166 -0.0068 -0.0068 316 ALA 28 HB1 -0.0172 -0.0102 -0.0066 317 ALA 28 HB2 -0.0189 -0.0108 -0.0070 318 ALA 28 HB3 -0.0163 -0.0123 -0.0060 319 VAL 29 N -0.0133 -0.0062 -0.0057 320 VAL 29 CA -0.0107 -0.0056 -0.0044 321 VAL 29 C -0.0101 -0.0053 -0.0042 322 VAL 29 O -0.0104 -0.0037 -0.0057 323 VAL 29 CB -0.0093 -0.0034 -0.0052 324 VAL 29 CG1 -0.0065 -0.0030 -0.0036 325 VAL 29 CG2 -0.0101 -0.0036 -0.0056 326 VAL 29 H -0.0138 -0.0052 -0.0069 327 VAL 29 HA -0.0102 -0.0069 -0.0031 328 VAL 29 HB -0.0096 -0.0021 -0.0064 329 VAL 29 HG11 -0.0057 -0.0017 -0.0041 330 VAL 29 HG12 -0.0060 -0.0025 -0.0036 331 VAL 29 HG13 -0.0062 -0.0043 -0.0023 332 VAL 29 HG21 -0.0091 -0.0023 -0.0060 333 VAL 29 HG22 -0.0100 -0.0050 -0.0044 334 VAL 29 HG23 -0.0118 -0.0037 -0.0067 335 THR 30 N -0.0082 -0.0082 0.0029 336 THR 30 CA -0.0065 -0.0074 0.0039 337 THR 30 C -0.0016 -0.0059 0.0077 338 THR 30 O -0.0010 -0.0081 0.0122 339 THR 30 CB -0.0099 -0.0112 0.0058 340 THR 30 OG1 -0.0107 -0.0144 0.0101 341 THR 30 CG2 -0.0147 -0.0124 0.0016 342 THR 30 H -0.0080 -0.0097 0.0056 343 THR 30 HA -0.0062 -0.0054 0.0008 344 THR 30 HB -0.0086 -0.0108 0.0068 345 THR 30 HG1 -0.0082 -0.0140 0.0126 346 THR 30 HG21 -0.0167 -0.0146 0.0027 347 THR 30 HG22 -0.0142 -0.0102 -0.0015 348 THR 30 HG23 -0.0163 -0.0133 0.0009 349 SER 31 N 0.0012 -0.0005 0.0116 350 SER 31 CA 0.0078 0.0010 0.0158 351 SER 31 C 0.0098 0.0004 0.0215 352 SER 31 O 0.0088 0.0004 0.0199 353 SER 31 CB 0.0138 0.0044 0.0108 354 SER 31 OG 0.0203 0.0059 0.0150 355 SER 31 H 0.0018 0.0007 0.0074 356 SER 31 HA 0.0071 0.0001 0.0184 357 SER 31 HB2 0.0127 0.0047 0.0076 358 SER 31 HB3 0.0143 0.0053 0.0079 359 SER 31 HG 0.0236 0.0078 0.0122 360 SER 32 N 0.0172 0.0026 0.0295 361 SER 32 CA 0.0204 0.0015 0.0364 362 SER 32 C 0.0282 0.0023 0.0349 363 SER 32 O 0.0306 0.0016 0.0395 364 SER 32 CB 0.0214 0.0004 0.0427 365 SER 32 OG 0.0255 0.0011 0.0401 366 SER 32 H 0.0175 0.0027 0.0295 367 SER 32 HA 0.0168 0.0009 0.0381 368 SER 32 HB2 0.0243 -0.0003 0.0470 369 SER 32 HB3 0.0163 -0.0003 0.0444 370 SER 32 HG 0.0257 0.0005 0.0435 371 LYS 33 N 0.0272 0.0056 0.0330 372 LYS 33 CA 0.0356 0.0073 0.0316 373 LYS 33 C 0.0360 0.0078 0.0288 374 LYS 33 O 0.0306 0.0076 0.0244 375 LYS 33 CB 0.0392 0.0090 0.0254 376 LYS 33 CG 0.0410 0.0087 0.0287 377 LYS 33 CD 0.0418 0.0100 0.0220 378 LYS 33 CE 0.0451 0.0100 0.0253 379 LYS 33 NZ 0.0425 0.0104 0.0202 380 LYS 33 H 0.0252 0.0058 0.0295 381 LYS 33 HA 0.0388 0.0070 0.0366 382 LYS 33 HB2 0.0354 0.0091 0.0208 383 LYS 33 HB3 0.0443 0.0101 0.0236 384 LYS 33 HG2 0.0461 0.0091 0.0318 385 LYS 33 HG3 0.0366 0.0074 0.0321 386 LYS 33 HD2 0.0365 0.0095 0.0194 387 LYS 33 HD3 0.0455 0.0113 0.0180 388 LYS 33 HE2 0.0510 0.0110 0.0254 389 LYS 33 HE3 0.0431 0.0088 0.0307 390 LYS 33 HZ1 0.0444 0.0104 0.0224 391 LYS 33 HZ2 0.0371 0.0095 0.0199 392 LYS 33 HZ3 0.0443 0.0116 0.0152 393 MET 34 N 0.0417 0.0021 0.0388 394 MET 34 CA 0.0391 0.0022 0.0381 395 MET 34 C 0.0469 0.0060 0.0319 396 MET 34 O 0.0465 0.0059 0.0321 397 MET 34 CB 0.0388 -0.0030 0.0483 398 MET 34 CG 0.0297 -0.0069 0.0544 399 MET 34 SD 0.0171 -0.0072 0.0528 400 MET 34 CE 0.0113 -0.0023 0.0420 401 MET 34 H 0.0480 0.0012 0.0415 402 MET 34 HA 0.0319 0.0031 0.0350 403 MET 34 HB2 0.0457 -0.0041 0.0518 404 MET 34 HB3 0.0377 -0.0028 0.0477 405 MET 34 HG2 0.0284 -0.0061 0.0527 406 MET 34 HG3 0.0320 -0.0101 0.0613 407 MET 34 HE1 0.0035 -0.0028 0.0417 408 MET 34 HE2 0.0146 0.0009 0.0364 409 MET 34 HE3 0.0128 -0.0023 0.0423 410 ASP 35 N 0.0519 0.0107 0.0284 411 ASP 35 CA 0.0587 0.0148 0.0214 412 ASP 35 C 0.0521 0.0181 0.0121 413 ASP 35 O 0.0431 0.0179 0.0099 414 ASP 35 CB 0.0674 0.0171 0.0187 415 ASP 35 CG 0.0629 0.0187 0.0139 416 ASP 35 OD1 0.0586 0.0157 0.0193 417 ASP 35 OD2 0.0630 0.0228 0.0047 418 ASP 35 H 0.0525 0.0106 0.0289 419 ASP 35 HA 0.0621 0.0139 0.0242 420 ASP 35 HB2 0.0721 0.0198 0.0141 421 ASP 35 HB3 0.0716 0.0150 0.0247 422 ALA 36 N 0.0559 0.0242 0.0080 423 ALA 36 CA 0.0493 0.0276 -0.0014 424 ALA 36 C 0.0443 0.0302 -0.0087 425 ALA 36 O 0.0342 0.0297 -0.0124 426 ALA 36 CB 0.0569 0.0324 -0.0070 427 ALA 36 H 0.0628 0.0254 0.0090 428 ALA 36 HA 0.0428 0.0249 0.0007 429 ALA 36 HB1 0.0526 0.0346 -0.0132 430 ALA 36 HB2 0.0595 0.0305 -0.0023 431 ALA 36 HB3 0.0635 0.0350 -0.0088 432 TRP 37 N 0.0500 0.0336 -0.0105 433 TRP 37 CA 0.0454 0.0337 -0.0168 434 TRP 37 C 0.0356 0.0279 -0.0128 435 TRP 37 O 0.0279 0.0266 -0.0191 436 TRP 37 CB 0.0527 0.0368 -0.0161 437 TRP 37 CG 0.0484 0.0371 -0.0226 438 TRP 37 CD1 0.0493 0.0411 -0.0329 439 TRP 37 CD2 0.0425 0.0332 -0.0191 440 TRP 37 NE1 0.0444 0.0401 -0.0362 441 TRP 37 CE2 0.0402 0.0352 -0.0279 442 TRP 37 CE3 0.0390 0.0283 -0.0095 443 TRP 37 CZ2 0.0345 0.0325 -0.0273 444 TRP 37 CZ3 0.0333 0.0255 -0.0090 445 TRP 37 CH2 0.0311 0.0276 -0.0179 446 TRP 37 H 0.0562 0.0353 -0.0075 447 TRP 37 HA 0.0439 0.0356 -0.0241 448 TRP 37 HB2 0.0590 0.0405 -0.0188 449 TRP 37 HB3 0.0543 0.0349 -0.0088 450 TRP 37 HD1 0.0527 0.0442 -0.0372 451 TRP 37 HE1 0.0440 0.0421 -0.0424 452 TRP 37 HE3 0.0404 0.0268 -0.0036 453 TRP 37 HZ2 0.0330 0.0339 -0.0332 454 TRP 37 HZ3 0.0309 0.0222 -0.0027 455 TRP 37 HH2 0.0274 0.0257 -0.0173 456 ASN 38 N 0.0363 0.0218 -0.0054 457 ASN 38 CA 0.0284 0.0189 -0.0020 458 ASN 38 C 0.0199 0.0170 -0.0012 459 ASN 38 O 0.0119 0.0162 -0.0028 460 ASN 38 CB 0.0313 0.0154 0.0069 461 ASN 38 CG 0.0349 0.0165 0.0060 462 ASN 38 OD1 0.0295 0.0166 0.0034 463 ASN 38 ND2 0.0439 0.0171 0.0083 464 ASN 38 H 0.0411 0.0210 -0.0017 465 ASN 38 HA 0.0265 0.0203 -0.0061 466 ASN 38 HB2 0.0363 0.0150 0.0098 467 ASN 38 HB3 0.0259 0.0129 0.0104 468 ASN 38 HD21 0.0463 0.0177 0.0079 469 ASN 38 HD22 0.0474 0.0169 0.0101 470 ILE 39 N 0.0205 0.0182 0.0006 471 ILE 39 CA 0.0110 0.0156 -0.0003 472 ILE 39 C 0.0053 0.0190 -0.0118 473 ILE 39 O -0.0050 0.0167 -0.0138 474 ILE 39 CB 0.0147 0.0153 0.0032 475 ILE 39 CG1 0.0195 0.0115 0.0150 476 ILE 39 CG2 0.0045 0.0130 0.0011 477 ILE 39 CD1 0.0254 0.0119 0.0183 478 ILE 39 H 0.0270 0.0194 0.0024 479 ILE 39 HA 0.0057 0.0119 0.0045 480 ILE 39 HB 0.0206 0.0189 -0.0010 481 ILE 39 HG12 0.0135 0.0077 0.0194 482 ILE 39 HG13 0.0250 0.0126 0.0164 483 ILE 39 HG21 0.0064 0.0121 0.0045 484 ILE 39 HG22 0.0026 0.0158 -0.0066 485 ILE 39 HG23 -0.0018 0.0097 0.0042 486 ILE 39 HD11 0.0290 0.0097 0.0257 487 ILE 39 HD12 0.0311 0.0157 0.0135 488 ILE 39 HD13 0.0199 0.0104 0.0179 489 PHE 40 N 0.0079 0.0241 -0.0167 490 PHE 40 CA 0.0037 0.0295 -0.0250 491 PHE 40 C 0.0018 0.0286 -0.0255 492 PHE 40 O -0.0058 0.0275 -0.0301 493 PHE 40 CB 0.0106 0.0381 -0.0284 494 PHE 40 CG 0.0079 0.0444 -0.0365 495 PHE 40 CD1 0.0021 0.0467 -0.0431 496 PHE 40 CD2 0.0112 0.0481 -0.0377 497 PHE 40 CE1 -0.0003 0.0526 -0.0506 498 PHE 40 CE2 0.0089 0.0539 -0.0452 499 PHE 40 CZ 0.0032 0.0562 -0.0516 500 PHE 40 H 0.0133 0.0267 -0.0152 501 PHE 40 HA -0.0022 0.0281 -0.0280 502 PHE 40 HB2 0.0110 0.0386 -0.0286 503 PHE 40 HB3 0.0165 0.0391 -0.0249 504 PHE 40 HD1 -0.0000 0.0443 -0.0423 505 PHE 40 HD2 0.0152 0.0466 -0.0333 506 PHE 40 HE1 -0.0044 0.0540 -0.0551 507 PHE 40 HE2 0.0109 0.0563 -0.0460 508 PHE 40 HZ 0.0019 0.0605 -0.0568 509 GLU 41 N 0.0053 0.0268 -0.0219 510 GLU 41 CA 0.0030 0.0255 -0.0223 511 GLU 41 C -0.0036 0.0191 -0.0197 512 GLU 41 O -0.0079 0.0178 -0.0222 513 GLU 41 CB 0.0093 0.0269 -0.0179 514 GLU 41 CG 0.0101 0.0300 -0.0217 515 GLU 41 CD 0.0120 0.0362 -0.0286 516 GLU 41 OE1 0.0138 0.0385 -0.0300 517 GLU 41 OE2 0.0117 0.0388 -0.0326 518 GLU 41 H 0.0096 0.0278 -0.0189 519 GLU 41 HA 0.0016 0.0280 -0.0273 520 GLU 41 HB2 0.0138 0.0294 -0.0170 521 GLU 41 HB3 0.0087 0.0232 -0.0133 522 GLU 41 HG2 0.0139 0.0304 -0.0184 523 GLU 41 HG3 0.0055 0.0277 -0.0230 524 GLY 42 N -0.0047 0.0152 -0.0147 525 GLY 42 CA -0.0102 0.0088 -0.0130 526 GLY 42 C -0.0171 0.0080 -0.0187 527 GLY 42 O -0.0220 0.0038 -0.0188 528 GLY 42 H -0.0021 0.0158 -0.0129 529 GLY 42 HA2 -0.0101 0.0073 -0.0113 530 GLY 42 HA3 -0.0097 0.0061 -0.0095 531 LEU 43 N -0.0190 0.0090 -0.0236 532 LEU 43 CA -0.0280 0.0088 -0.0312 533 LEU 43 C -0.0299 0.0141 -0.0370 534 LEU 43 O -0.0377 0.0120 -0.0421 535 LEU 43 CB -0.0293 0.0130 -0.0356 536 LEU 43 CG -0.0289 0.0076 -0.0311 537 LEU 43 CD1 -0.0274 0.0137 -0.0346 538 LEU 43 CD2 -0.0378 -0.0011 -0.0320 539 LEU 43 H -0.0153 0.0129 -0.0235 540 LEU 43 HA -0.0323 0.0023 -0.0300 541 LEU 43 HB2 -0.0246 0.0192 -0.0363 542 LEU 43 HB3 -0.0351 0.0133 -0.0409 543 LEU 43 HG -0.0240 0.0056 -0.0253 544 LEU 43 HD11 -0.0273 0.0101 -0.0317 545 LEU 43 HD12 -0.0217 0.0190 -0.0338 546 LEU 43 HD13 -0.0322 0.0159 -0.0404 547 LEU 43 HD21 -0.0375 -0.0044 -0.0293 548 LEU 43 HD22 -0.0427 0.0009 -0.0378 549 LEU 43 HD23 -0.0385 -0.0051 -0.0296 550 VAL 44 N -0.0223 0.0194 -0.0376 551 VAL 44 CA -0.0230 0.0226 -0.0401 552 VAL 44 C -0.0205 0.0182 -0.0344 553 VAL 44 O -0.0232 0.0156 -0.0369 554 VAL 44 CB -0.0201 0.0330 -0.0415 555 VAL 44 CG1 -0.0139 0.0364 -0.0348 556 VAL 44 CG2 -0.0199 0.0361 -0.0428 557 VAL 44 H -0.0188 0.0218 -0.0340 558 VAL 44 HA -0.0272 0.0210 -0.0450 559 VAL 44 HB -0.0225 0.0355 -0.0462 560 VAL 44 HG11 -0.0114 0.0415 -0.0340 561 VAL 44 HG12 -0.0142 0.0381 -0.0361 562 VAL 44 HG13 -0.0123 0.0316 -0.0302 563 VAL 44 HG21 -0.0192 0.0424 -0.0452 564 VAL 44 HG22 -0.0166 0.0350 -0.0378 565 VAL 44 HG23 -0.0236 0.0326 -0.0462 566 VAL 44 N -0.0223 0.0195 -0.0375 567 VAL 44 CA -0.0228 0.0230 -0.0401 568 VAL 44 C -0.0201 0.0192 -0.0345 569 VAL 44 O -0.0223 0.0184 -0.0371 570 VAL 44 CB -0.0202 0.0334 -0.0419 571 VAL 44 CG1 -0.0236 0.0374 -0.0486 572 VAL 44 CG2 -0.0135 0.0371 -0.0347 573 VAL 44 H -0.0187 0.0216 -0.0338 574 VAL 44 HA -0.0271 0.0212 -0.0449 575 VAL 44 HB -0.0207 0.0354 -0.0436 576 VAL 44 HG11 -0.0249 0.0416 -0.0525 577 VAL 44 HG12 -0.0271 0.0325 -0.0508 578 VAL 44 HG13 -0.0210 0.0404 -0.0466 579 VAL 44 HG21 -0.0124 0.0432 -0.0362 580 VAL 44 HG22 -0.0127 0.0333 -0.0316 581 VAL 44 HG23 -0.0114 0.0370 -0.0317 582 MET 45 N -0.0128 0.0132 -0.0250 583 MET 45 CA -0.0132 0.0098 -0.0205 584 MET 45 C -0.0135 0.0073 -0.0182 585 MET 45 O -0.0134 0.0079 -0.0135 586 MET 45 CB -0.0128 0.0129 -0.0161 587 MET 45 CG -0.0125 0.0155 -0.0176 588 MET 45 SD -0.0130 0.0114 -0.0174 589 MET 45 CE -0.0131 0.0104 -0.0105 590 MET 45 H -0.0125 0.0158 -0.0241 591 MET 45 HA -0.0135 0.0072 -0.0219 592 MET 45 HB2 -0.0125 0.0156 -0.0149 593 MET 45 HB3 -0.0131 0.0105 -0.0132 594 MET 45 HG2 -0.0123 0.0168 -0.0212 595 MET 45 HG3 -0.0121 0.0184 -0.0152 596 MET 45 HE1 -0.0134 0.0083 -0.0100 597 MET 45 HE2 -0.0127 0.0137 -0.0087 598 MET 45 HE3 -0.0133 0.0085 -0.0090 599 GLY 46 N -0.0156 0.0041 -0.0190 600 GLY 46 CA -0.0159 0.0008 -0.0167 601 GLY 46 C -0.0173 -0.0029 -0.0157 602 GLY 46 O -0.0179 -0.0060 -0.0141 603 GLY 46 H -0.0172 0.0041 -0.0213 604 GLY 46 HA2 -0.0139 0.0013 -0.0145 605 GLY 46 HA3 -0.0170 0.0003 -0.0180 606 SER 47 N -0.0130 -0.0012 -0.0126 607 SER 47 CA -0.0129 -0.0026 -0.0123 608 SER 47 C -0.0123 -0.0022 -0.0115 609 SER 47 O -0.0122 -0.0009 -0.0115 610 SER 47 CB -0.0139 -0.0035 -0.0136 611 SER 47 OG -0.0144 -0.0024 -0.0145 612 SER 47 H -0.0130 -0.0003 -0.0126 613 SER 47 HA -0.0126 -0.0034 -0.0118 614 SER 47 HB2 -0.0137 -0.0044 -0.0134 615 SER 47 HB3 -0.0142 -0.0039 -0.0140 616 SER 47 HG -0.0150 -0.0024 -0.0152 617 VAL 48 N -0.0106 -0.0016 -0.0081 618 VAL 48 CA -0.0100 -0.0012 -0.0078 619 VAL 48 C -0.0101 -0.0016 -0.0078 620 VAL 48 O -0.0103 -0.0023 -0.0079 621 VAL 48 CB -0.0091 -0.0013 -0.0074 622 VAL 48 CG1 -0.0090 -0.0008 -0.0074 623 VAL 48 CG2 -0.0089 -0.0022 -0.0073 624 VAL 48 H -0.0106 -0.0022 -0.0080 625 VAL 48 HA -0.0101 -0.0006 -0.0079 626 VAL 48 HB -0.0088 -0.0010 -0.0073 627 VAL 48 HG11 -0.0085 -0.0009 -0.0071 628 VAL 48 HG12 -0.0091 -0.0002 -0.0075 629 VAL 48 HG13 -0.0094 -0.0010 -0.0075 630 VAL 48 HG21 -0.0084 -0.0023 -0.0070 631 VAL 48 HG22 -0.0093 -0.0025 -0.0074 632 VAL 48 HG23 -0.0089 -0.0025 -0.0073 633 TRP 49 N -0.0073 0.0005 -0.0067 634 TRP 49 CA -0.0068 0.0011 -0.0068 635 TRP 49 C -0.0072 0.0012 -0.0076 636 TRP 49 O -0.0078 0.0007 -0.0077 637 TRP 49 CB -0.0066 0.0008 -0.0060 638 TRP 49 CG -0.0060 0.0009 -0.0052 639 TRP 49 CD1 -0.0061 0.0003 -0.0045 640 TRP 49 CD2 -0.0053 0.0015 -0.0050 641 TRP 49 NE1 -0.0054 0.0005 -0.0039 642 TRP 49 CE2 -0.0049 0.0013 -0.0042 643 TRP 49 CE3 -0.0049 0.0023 -0.0055 644 TRP 49 CZ2 -0.0042 0.0018 -0.0038 645 TRP 49 CZ3 -0.0042 0.0028 -0.0052 646 TRP 49 CH2 -0.0039 0.0026 -0.0043 647 TRP 49 H -0.0076 0.0000 -0.0064 648 TRP 49 HA -0.0064 0.0015 -0.0068 649 TRP 49 HB2 -0.0070 0.0003 -0.0059 650 TRP 49 HB3 -0.0064 0.0012 -0.0062 651 TRP 49 HD1 -0.0065 -0.0002 -0.0044 652 TRP 49 HE1 -0.0053 0.0002 -0.0034 653 TRP 49 HE3 -0.0051 0.0025 -0.0061 654 TRP 49 HZ2 -0.0040 0.0016 -0.0033 655 TRP 49 HZ3 -0.0039 0.0033 -0.0055 656 TRP 49 HH2 -0.0034 0.0029 -0.0041 657 VAL 50 N -0.0081 -0.0000 -0.0059 658 VAL 50 CA -0.0070 -0.0003 -0.0062 659 VAL 50 C -0.0069 0.0005 -0.0063 660 VAL 50 O -0.0076 0.0004 -0.0061 661 VAL 50 CB -0.0069 -0.0015 -0.0060 662 VAL 50 CG1 -0.0058 -0.0017 -0.0063 663 VAL 50 CG2 -0.0071 -0.0022 -0.0059 664 VAL 50 H -0.0087 -0.0002 -0.0057 665 VAL 50 HA -0.0065 -0.0001 -0.0063 666 VAL 50 HB -0.0074 -0.0017 -0.0059 667 VAL 50 HG11 -0.0056 -0.0026 -0.0062 668 VAL 50 HG12 -0.0057 -0.0014 -0.0064 669 VAL 50 HG13 -0.0052 -0.0014 -0.0065 670 VAL 50 HG21 -0.0070 -0.0030 -0.0058 671 VAL 50 HG22 -0.0067 -0.0020 -0.0060 672 VAL 50 HG23 -0.0079 -0.0021 -0.0057 673 ILE 51 N -0.0053 0.0021 -0.0071 674 ILE 51 CA -0.0052 0.0033 -0.0075 675 ILE 51 C -0.0047 0.0033 -0.0086 676 ILE 51 O -0.0044 0.0030 -0.0093 677 ILE 51 CB -0.0052 0.0039 -0.0074 678 ILE 51 CG1 -0.0056 0.0036 -0.0064 679 ILE 51 CG2 -0.0051 0.0051 -0.0076 680 ILE 51 CD1 -0.0056 0.0028 -0.0065 681 ILE 51 H -0.0051 0.0017 -0.0075 682 ILE 51 HA -0.0053 0.0037 -0.0071 683 ILE 51 HB -0.0050 0.0035 -0.0080 684 ILE 51 HG12 -0.0057 0.0043 -0.0061 685 ILE 51 HG13 -0.0058 0.0033 -0.0059 686 ILE 51 HG21 -0.0052 0.0055 -0.0075 687 ILE 51 HG22 -0.0049 0.0053 -0.0083 688 ILE 51 HG23 -0.0054 0.0054 -0.0070 689 ILE 51 HD11 -0.0059 0.0027 -0.0058 690 ILE 51 HD12 -0.0055 0.0021 -0.0067 691 ILE 51 HD13 -0.0054 0.0031 -0.0069 692 ARG 52 N -0.0053 0.0038 -0.0078 693 ARG 52 CA -0.0039 0.0036 -0.0086 694 ARG 52 C -0.0039 0.0056 -0.0097 695 ARG 52 O -0.0053 0.0069 -0.0095 696 ARG 52 CB -0.0044 0.0024 -0.0076 697 ARG 52 CG -0.0031 0.0019 -0.0082 698 ARG 52 CD -0.0041 0.0009 -0.0070 699 ARG 52 NE -0.0030 0.0005 -0.0075 700 ARG 52 CZ -0.0035 -0.0003 -0.0067 701 ARG 52 NH1 -0.0051 -0.0008 -0.0054 702 ARG 52 NH2 -0.0024 -0.0006 -0.0072 703 ARG 52 H -0.0064 0.0037 -0.0071 704 ARG 52 HA -0.0027 0.0029 -0.0090 705 ARG 52 HB2 -0.0045 0.0011 -0.0069 706 ARG 52 HB3 -0.0057 0.0030 -0.0072 707 ARG 52 HG2 -0.0029 0.0031 -0.0090 708 ARG 52 HG3 -0.0019 0.0010 -0.0085 709 ARG 52 HD2 -0.0042 -0.0003 -0.0063 710 ARG 52 HD3 -0.0053 0.0018 -0.0067 711 ARG 52 HE -0.0019 0.0008 -0.0084 712 ARG 52 HH11 -0.0059 -0.0007 -0.0050 713 ARG 52 HH12 -0.0055 -0.0014 -0.0049 714 ARG 52 HH21 -0.0014 -0.0003 -0.0081 715 ARG 52 HH22 -0.0028 -0.0012 -0.0067 716 GLN 53 N -0.0031 0.0059 -0.0117 717 GLN 53 CA -0.0027 0.0080 -0.0132 718 GLN 53 C -0.0024 0.0089 -0.0142 719 GLN 53 O -0.0022 0.0076 -0.0140 720 GLN 53 CB -0.0015 0.0073 -0.0149 721 GLN 53 CG -0.0016 0.0057 -0.0140 722 GLN 53 CD -0.0027 0.0071 -0.0129 723 GLN 53 OE1 -0.0028 0.0092 -0.0137 724 GLN 53 NE2 -0.0036 0.0061 -0.0111 725 GLN 53 H -0.0024 0.0046 -0.0123 726 GLN 53 HA -0.0035 0.0092 -0.0126 727 GLN 53 HB2 -0.0007 0.0064 -0.0158 728 GLN 53 HB3 -0.0014 0.0087 -0.0157 729 GLN 53 HG2 -0.0019 0.0044 -0.0130 730 GLN 53 HG3 -0.0007 0.0051 -0.0151 731 GLN 53 HE21 -0.0035 0.0047 -0.0106 732 GLN 53 HE22 -0.0042 0.0068 -0.0104 733 LYS 54 N -0.0019 0.0118 -0.0173 734 LYS 54 CA -0.0028 0.0122 -0.0171 735 LYS 54 C -0.0002 0.0109 -0.0176 736 LYS 54 O -0.0008 0.0107 -0.0169 737 LYS 54 CB -0.0043 0.0149 -0.0195 738 LYS 54 CG -0.0075 0.0165 -0.0188 739 LYS 54 CD -0.0085 0.0191 -0.0214 740 LYS 54 CE -0.0106 0.0204 -0.0214 741 LYS 54 NZ -0.0133 0.0201 -0.0187 742 LYS 54 H -0.0021 0.0130 -0.0187 743 LYS 54 HA -0.0043 0.0117 -0.0152 744 LYS 54 HB2 -0.0031 0.0155 -0.0212 745 LYS 54 HB3 -0.0042 0.0151 -0.0198 746 LYS 54 HG2 -0.0089 0.0162 -0.0173 747 LYS 54 HG3 -0.0077 0.0160 -0.0180 748 LYS 54 HD2 -0.0068 0.0193 -0.0232 749 LYS 54 HD3 -0.0097 0.0199 -0.0215 750 LYS 54 HE2 -0.0095 0.0197 -0.0215 751 LYS 54 HE3 -0.0113 0.0221 -0.0230 752 LYS 54 HZ1 -0.0145 0.0209 -0.0188 753 LYS 54 HZ2 -0.0145 0.0208 -0.0186 754 LYS 54 HZ3 -0.0128 0.0186 -0.0171 755 ASP 55 N 0.0013 0.0105 -0.0189 756 ASP 55 CA 0.0038 0.0087 -0.0202 757 ASP 55 C 0.0041 0.0055 -0.0186 758 ASP 55 O 0.0062 0.0036 -0.0195 759 ASP 55 CB 0.0058 0.0093 -0.0225 760 ASP 55 CG 0.0061 0.0081 -0.0220 761 ASP 55 OD1 0.0043 0.0075 -0.0200 762 ASP 55 OD2 0.0081 0.0076 -0.0237 763 ASP 55 H 0.0012 0.0107 -0.0189 764 ASP 55 HA 0.0039 0.0093 -0.0206 765 ASP 55 HB2 0.0074 0.0085 -0.0235 766 ASP 55 HB3 0.0054 0.0115 -0.0233 767 ASP 56 N 0.0025 0.0048 -0.0143 768 ASP 56 CA 0.0025 0.0022 -0.0128 769 ASP 56 C 0.0036 0.0010 -0.0130 770 ASP 56 O 0.0038 -0.0012 -0.0120 771 ASP 56 CB 0.0034 0.0004 -0.0125 772 ASP 56 CG 0.0019 0.0009 -0.0116 773 ASP 56 OD1 -0.0001 0.0022 -0.0109 774 ASP 56 OD2 0.0027 -0.0002 -0.0117 775 ASP 56 H 0.0012 0.0059 -0.0139 776 ASP 56 HA 0.0008 0.0023 -0.0116 777 ASP 56 HB2 0.0049 0.0006 -0.0138 778 ASP 56 HB3 0.0036 -0.0014 -0.0117 779 SER 57 N 0.0023 0.0023 -0.0142 780 SER 57 CA 0.0029 0.0011 -0.0141 781 SER 57 C 0.0013 0.0012 -0.0123 782 SER 57 O -0.0001 0.0026 -0.0114 783 SER 57 CB 0.0038 0.0021 -0.0159 784 SER 57 OG 0.0026 0.0043 -0.0161 785 SER 57 H 0.0024 0.0035 -0.0152 786 SER 57 HA 0.0037 -0.0005 -0.0140 787 SER 57 HB2 0.0042 0.0012 -0.0158 788 SER 57 HB3 0.0047 0.0021 -0.0171 789 SER 57 HG 0.0031 0.0048 -0.0171 790 LEU 58 N 0.0006 0.0002 -0.0089 791 LEU 58 CA -0.0006 0.0003 -0.0083 792 LEU 58 C -0.0004 0.0010 -0.0088 793 LEU 58 O 0.0008 0.0009 -0.0094 794 LEU 58 CB -0.0009 -0.0012 -0.0073 795 LEU 58 CG -0.0012 -0.0020 -0.0067 796 LEU 58 CD1 -0.0000 -0.0034 -0.0065 797 LEU 58 CD2 -0.0027 -0.0024 -0.0058 798 LEU 58 H 0.0015 -0.0002 -0.0091 799 LEU 58 HA -0.0015 0.0009 -0.0083 800 LEU 58 HB2 -0.0001 -0.0017 -0.0074 801 LEU 58 HB3 -0.0018 -0.0011 -0.0070 802 LEU 58 HG -0.0011 -0.0015 -0.0071 803 LEU 58 HD11 -0.0002 -0.0040 -0.0061 804 LEU 58 HD12 0.0010 -0.0032 -0.0071 805 LEU 58 HD13 -0.0001 -0.0039 -0.0062 806 LEU 58 HD21 -0.0027 -0.0029 -0.0055 807 LEU 58 HD22 -0.0028 -0.0029 -0.0055 808 LEU 58 HD23 -0.0034 -0.0015 -0.0060 809 LYS 59 N -0.0047 0.0016 -0.0091 810 LYS 59 CA -0.0048 0.0011 -0.0086 811 LYS 59 C -0.0050 0.0008 -0.0079 812 LYS 59 O -0.0049 0.0013 -0.0075 813 LYS 59 CB -0.0048 0.0015 -0.0084 814 LYS 59 CG -0.0047 0.0017 -0.0091 815 LYS 59 CD -0.0047 0.0023 -0.0089 816 LYS 59 CE -0.0046 0.0025 -0.0097 817 LYS 59 NZ -0.0046 0.0021 -0.0097 818 LYS 59 H -0.0047 0.0021 -0.0088 819 LYS 59 HA -0.0049 0.0006 -0.0090 820 LYS 59 HB2 -0.0048 0.0020 -0.0081 821 LYS 59 HB3 -0.0049 0.0012 -0.0080 822 LYS 59 HG2 -0.0048 0.0012 -0.0092 823 LYS 59 HG3 -0.0047 0.0018 -0.0096 824 LYS 59 HD2 -0.0046 0.0028 -0.0087 825 LYS 59 HD3 -0.0047 0.0021 -0.0085 826 LYS 59 HE2 -0.0045 0.0023 -0.0102 827 LYS 59 HE3 -0.0045 0.0031 -0.0097 828 LYS 59 HZ1 -0.0046 0.0023 -0.0093 829 LYS 59 HZ2 -0.0047 0.0016 -0.0097 830 LYS 59 HZ3 -0.0045 0.0022 -0.0102 831 VAL 60 N -0.0055 0.0007 -0.0072 832 VAL 60 CA -0.0063 0.0003 -0.0071 833 VAL 60 C -0.0066 0.0009 -0.0073 834 VAL 60 O -0.0060 0.0013 -0.0074 835 VAL 60 CB -0.0059 -0.0006 -0.0068 836 VAL 60 CG1 -0.0067 -0.0010 -0.0067 837 VAL 60 CG2 -0.0056 -0.0013 -0.0067 838 VAL 60 H -0.0051 0.0009 -0.0073 839 VAL 60 HA -0.0068 0.0001 -0.0070 840 VAL 60 HB -0.0053 -0.0005 -0.0069 841 VAL 60 HG11 -0.0065 -0.0016 -0.0066 842 VAL 60 HG12 -0.0067 -0.0007 -0.0068 843 VAL 60 HG13 -0.0073 -0.0010 -0.0067 844 VAL 60 HG21 -0.0055 -0.0019 -0.0065 845 VAL 60 HG22 -0.0061 -0.0014 -0.0066 846 VAL 60 HG23 -0.0051 -0.0011 -0.0067 847 PHE 61 N -0.0079 0.0003 -0.0073 848 PHE 61 CA -0.0081 -0.0001 -0.0066 849 PHE 61 C -0.0083 -0.0002 -0.0065 850 PHE 61 O -0.0079 0.0001 -0.0067 851 PHE 61 CB -0.0076 0.0001 -0.0059 852 PHE 61 CG -0.0075 0.0002 -0.0059 853 PHE 61 CD1 -0.0079 -0.0001 -0.0057 854 PHE 61 CD2 -0.0069 0.0006 -0.0061 855 PHE 61 CE1 -0.0077 -0.0000 -0.0057 856 PHE 61 CE2 -0.0067 0.0007 -0.0061 857 PHE 61 CZ -0.0072 0.0004 -0.0059 858 PHE 61 H -0.0075 0.0005 -0.0073 859 PHE 61 HA -0.0085 -0.0003 -0.0066 860 PHE 61 HB2 -0.0072 0.0003 -0.0059 861 PHE 61 HB3 -0.0078 -0.0001 -0.0054 862 PHE 61 HD1 -0.0083 -0.0004 -0.0056 863 PHE 61 HD2 -0.0066 0.0008 -0.0062 864 PHE 61 HE1 -0.0080 -0.0002 -0.0056 865 PHE 61 HE2 -0.0063 0.0010 -0.0062 866 PHE 61 HZ -0.0071 0.0005 -0.0059 867 SER 62 N -0.0090 -0.0002 -0.0071 868 SER 62 CA -0.0095 -0.0000 -0.0079 869 SER 62 C -0.0086 -0.0004 -0.0079 870 SER 62 O -0.0081 -0.0005 -0.0070 871 SER 62 CB -0.0106 0.0005 -0.0074 872 SER 62 OG -0.0111 0.0006 -0.0081 873 SER 62 H -0.0094 0.0000 -0.0065 874 SER 62 HA -0.0096 -0.0000 -0.0087 875 SER 62 HB2 -0.0112 0.0007 -0.0074 876 SER 62 HB3 -0.0105 0.0005 -0.0066 877 SER 62 HG -0.0109 0.0005 -0.0089 878 THR 63 N -0.0091 0.0001 -0.0076 879 THR 63 CA -0.0084 -0.0001 -0.0075 880 THR 63 C -0.0089 -0.0000 -0.0069 881 THR 63 O -0.0084 -0.0002 -0.0067 882 THR 63 CB -0.0081 -0.0001 -0.0086 883 THR 63 OG1 -0.0090 0.0003 -0.0092 884 THR 63 CG2 -0.0075 -0.0002 -0.0093 885 THR 63 H -0.0094 0.0002 -0.0082 886 THR 63 HA -0.0078 -0.0004 -0.0071 887 THR 63 HB -0.0076 -0.0002 -0.0086 888 THR 63 HG1 -0.0089 0.0003 -0.0098 889 THR 63 HG21 -0.0073 -0.0002 -0.0100 890 THR 63 HG22 -0.0068 -0.0004 -0.0089 891 THR 63 HG23 -0.0079 -0.0001 -0.0093 892 ASN 64 N -0.0062 -0.0014 -0.0100 893 ASN 64 CA -0.0070 -0.0018 -0.0087 894 ASN 64 C -0.0071 -0.0039 -0.0051 895 ASN 64 O -0.0093 -0.0042 -0.0032 896 ASN 64 CB -0.0106 0.0001 -0.0094 897 ASN 64 CG -0.0117 0.0000 -0.0086 898 ASN 64 OD1 -0.0097 -0.0001 -0.0097 899 ASN 64 ND2 -0.0148 0.0002 -0.0067 900 ASN 64 H -0.0080 -0.0006 -0.0099 901 ASN 64 HA -0.0052 -0.0019 -0.0098 902 ASN 64 HB2 -0.0106 0.0015 -0.0118 903 ASN 64 HB3 -0.0124 0.0001 -0.0082 904 ASN 64 HD21 -0.0155 0.0001 -0.0061 905 ASN 64 HD22 -0.0161 0.0003 -0.0060 906 ASN 64 N -0.0061 -0.0013 -0.0101 907 ASN 64 CA -0.0068 -0.0019 -0.0087 908 ASN 64 C -0.0068 -0.0041 -0.0050 909 ASN 64 O -0.0086 -0.0044 -0.0032 910 ASN 64 CB -0.0102 -0.0001 -0.0093 911 ASN 64 CG -0.0101 0.0019 -0.0128 912 ASN 64 OD1 -0.0073 0.0019 -0.0146 913 ASN 64 ND2 -0.0132 0.0038 -0.0137 914 ASN 64 H -0.0080 -0.0005 -0.0102 915 ASN 64 HA -0.0049 -0.0021 -0.0097 916 ASN 64 HB2 -0.0121 0.0002 -0.0086 917 ASN 64 HB3 -0.0108 -0.0007 -0.0080 918 ASN 64 HD21 -0.0133 0.0050 -0.0157 919 ASN 64 HD22 -0.0151 0.0037 -0.0124 920 CYS 65 N -0.0069 -0.0034 0.0006 921 CYS 65 CA -0.0066 -0.0048 0.0034 922 CYS 65 C -0.0099 -0.0065 0.0047 923 CYS 65 O -0.0114 -0.0071 0.0050 924 CYS 65 CB -0.0040 -0.0052 0.0058 925 CYS 65 SG -0.0033 -0.0068 0.0094 926 CYS 65 HA -0.0061 -0.0044 0.0030 927 CYS 65 HB2 -0.0019 -0.0041 0.0050 928 CYS 65 HB3 -0.0046 -0.0056 0.0063 929 CYS 65 H -0.0057 -0.0031 0.0007 930 CYS 65 H -0.0059 -0.0032 0.0008 931 PRO 66 N -0.0096 -0.0074 0.0058 932 PRO 66 CA -0.0124 -0.0091 0.0069 933 PRO 66 C -0.0124 -0.0106 0.0100 934 PRO 66 O -0.0148 -0.0121 0.0109 935 PRO 66 CB -0.0130 -0.0092 0.0065 936 PRO 66 CG -0.0099 -0.0079 0.0067 937 PRO 66 CD -0.0082 -0.0065 0.0051 938 PRO 66 HA -0.0139 -0.0092 0.0056 939 PRO 66 HB2 -0.0140 -0.0104 0.0081 940 PRO 66 HB3 -0.0142 -0.0089 0.0046 941 PRO 66 HG2 -0.0090 -0.0085 0.0087 942 PRO 66 HG3 -0.0100 -0.0075 0.0057 943 PRO 66 HD2 -0.0061 -0.0059 0.0059 944 PRO 66 HD3 -0.0086 -0.0056 0.0031 945 HIS 67 N -0.0115 -0.0126 0.0135 946 HIS 67 CA -0.0112 -0.0146 0.0175 947 HIS 67 C -0.0126 -0.0153 0.0174 948 HIS 67 O -0.0158 -0.0174 0.0180 949 HIS 67 CB -0.0072 -0.0136 0.0199 950 HIS 67 CG -0.0067 -0.0154 0.0240 951 HIS 67 ND1 -0.0037 -0.0146 0.0257 952 HIS 67 CD2 -0.0088 -0.0180 0.0267 953 HIS 67 CE1 -0.0039 -0.0166 0.0292 954 HIS 67 NE2 -0.0070 -0.0187 0.0299 955 HIS 67 H -0.0093 -0.0111 0.0129 956 HIS 67 HA -0.0129 -0.0162 0.0187 957 HIS 67 HB2 -0.0066 -0.0133 0.0201 958 HIS 67 HB3 -0.0055 -0.0120 0.0187 959 HIS 67 HD2 -0.0110 -0.0191 0.0264 960 HIS 67 HE1 -0.0022 -0.0166 0.0310 961 HIS 67 HE2 -0.0078 -0.0203 0.0320 962 LEU 68 N -0.0112 -0.0137 0.0169 963 LEU 68 CA -0.0122 -0.0144 0.0171 964 LEU 68 C -0.0110 -0.0114 0.0131 965 LEU 68 O -0.0102 -0.0111 0.0135 966 LEU 68 CB -0.0097 -0.0158 0.0220 967 LEU 68 CG -0.0118 -0.0193 0.0260 968 LEU 68 CD1 -0.0091 -0.0204 0.0306 969 LEU 68 CD2 -0.0170 -0.0218 0.0252 970 LEU 68 H -0.0086 -0.0118 0.0163 971 LEU 68 HA -0.0155 -0.0161 0.0168 972 LEU 68 HB2 -0.0065 -0.0144 0.0227 973 LEU 68 HB3 -0.0100 -0.0158 0.0218 974 LEU 68 HG -0.0116 -0.0193 0.0262 975 LEU 68 HD11 -0.0105 -0.0226 0.0331 976 LEU 68 HD12 -0.0058 -0.0189 0.0312 977 LEU 68 HD13 -0.0092 -0.0203 0.0303 978 LEU 68 HD21 -0.0179 -0.0240 0.0281 979 LEU 68 HD22 -0.0174 -0.0214 0.0241 980 LEU 68 HD23 -0.0189 -0.0215 0.0228 981 GLY 69 N -0.0088 -0.0081 0.0070 982 GLY 69 CA -0.0089 -0.0053 0.0022 983 GLY 69 C -0.0037 -0.0034 0.0002 984 GLY 69 O -0.0037 -0.0010 -0.0038 985 GLY 69 H -0.0086 -0.0086 0.0078 986 GLY 69 HA2 -0.0104 -0.0047 0.0008 987 GLY 69 HA3 -0.0110 -0.0051 0.0014 988 CYS 70 N -0.0051 -0.0055 0.0073 989 CYS 70 CA -0.0019 -0.0031 0.0066 990 CYS 70 C -0.0016 -0.0011 0.0036 991 CYS 70 O -0.0033 -0.0015 0.0024 992 CYS 70 CB 0.0009 -0.0031 0.0096 993 CYS 70 SG 0.0013 -0.0050 0.0131 994 CYS 70 H -0.0050 -0.0065 0.0092 995 CYS 70 HA -0.0019 -0.0028 0.0062 996 CYS 70 HB2 0.0007 -0.0037 0.0104 997 CYS 70 HB3 0.0030 -0.0014 0.0090 998 GLY 71 N -0.0032 -0.0004 0.0010 999 GLY 71 CA -0.0029 0.0013 -0.0011 1000 GLY 71 C -0.0017 0.0013 -0.0002 1001 GLY 71 O 0.0004 0.0010 0.0015 1002 GLY 71 H -0.0020 -0.0000 0.0013 1003 GLY 71 HA2 -0.0048 0.0013 -0.0022 1004 GLY 71 HA3 -0.0018 0.0026 -0.0020 1005 ILE 72 N -0.0024 0.0001 0.0003 1006 ILE 72 CA -0.0017 0.0003 0.0006 1007 ILE 72 C -0.0005 0.0014 -0.0003 1008 ILE 72 O -0.0009 0.0021 -0.0016 1009 ILE 72 CB -0.0029 -0.0001 0.0002 1010 ILE 72 CG1 -0.0040 -0.0013 0.0012 1011 ILE 72 CG2 -0.0022 0.0003 0.0003 1012 ILE 72 CD1 -0.0053 -0.0017 0.0008 1013 ILE 72 H -0.0032 0.0002 -0.0004 1014 ILE 72 HA -0.0012 -0.0001 0.0016 1015 ILE 72 HB -0.0035 0.0002 -0.0008 1016 ILE 72 HG12 -0.0035 -0.0016 0.0022 1017 ILE 72 HG13 -0.0044 -0.0015 0.0012 1018 ILE 72 HG21 -0.0030 -0.0001 0.0001 1019 ILE 72 HG22 -0.0017 0.0010 -0.0005 1020 ILE 72 HG23 -0.0015 0.0001 0.0012 1021 ILE 72 HD11 -0.0059 -0.0024 0.0016 1022 ILE 72 HD12 -0.0060 -0.0015 -0.0001 1023 ILE 72 HD13 -0.0050 -0.0014 0.0007 1024 ASP 73 N 0.0004 0.0020 0.0041 1025 ASP 73 CA 0.0020 0.0040 0.0032 1026 ASP 73 C 0.0018 0.0044 0.0025 1027 ASP 73 O 0.0012 0.0032 0.0034 1028 ASP 73 CB 0.0043 0.0043 0.0048 1029 ASP 73 CG 0.0047 0.0041 0.0055 1030 ASP 73 OD1 0.0039 0.0046 0.0042 1031 ASP 73 OD2 0.0058 0.0033 0.0074 1032 ASP 73 H 0.0008 0.0012 0.0053 1033 ASP 73 HA 0.0017 0.0048 0.0020 1034 ASP 73 HB2 0.0045 0.0035 0.0061 1035 ASP 73 HB3 0.0054 0.0056 0.0043 1036 TRP 74 N 0.0009 0.0040 0.0026 1037 TRP 74 CA 0.0011 0.0048 0.0020 1038 TRP 74 C 0.0021 0.0057 0.0027 1039 TRP 74 O 0.0026 0.0064 0.0029 1040 TRP 74 CB 0.0008 0.0054 0.0007 1041 TRP 74 CG 0.0010 0.0062 0.0001 1042 TRP 74 CD1 0.0017 0.0074 -0.0002 1043 TRP 74 CD2 0.0007 0.0059 -0.0002 1044 TRP 74 NE1 0.0017 0.0079 -0.0007 1045 TRP 74 CE2 0.0011 0.0070 -0.0007 1046 TRP 74 CE3 0.0000 0.0049 -0.0001 1047 TRP 74 CZ2 0.0009 0.0070 -0.0011 1048 TRP 74 CZ3 -0.0002 0.0049 -0.0005 1049 TRP 74 CH2 0.0003 0.0059 -0.0010 1050 TRP 74 H 0.0010 0.0044 0.0023 1051 TRP 74 HA 0.0008 0.0042 0.0021 1052 TRP 74 HB2 0.0001 0.0048 0.0002 1053 TRP 74 HB3 0.0010 0.0058 0.0006 1054 TRP 74 HD1 0.0020 0.0079 -0.0001 1055 TRP 74 HE1 0.0021 0.0086 -0.0010 1056 TRP 74 HE3 -0.0003 0.0041 0.0002 1057 TRP 74 HZ2 0.0012 0.0077 -0.0015 1058 TRP 74 HZ3 -0.0006 0.0042 -0.0005 1059 TRP 74 HH2 0.0001 0.0059 -0.0013 1060 ALA 75 N 0.0049 0.0064 0.0062 1061 ALA 75 CA 0.0067 0.0078 0.0074 1062 ALA 75 C 0.0073 0.0093 0.0060 1063 ALA 75 O 0.0068 0.0089 0.0057 1064 ALA 75 CB 0.0069 0.0068 0.0096 1065 ALA 75 H 0.0042 0.0057 0.0062 1066 ALA 75 HA 0.0073 0.0083 0.0076 1067 ALA 75 HB1 0.0081 0.0077 0.0104 1068 ALA 75 HB2 0.0065 0.0058 0.0105 1069 ALA 75 HB3 0.0062 0.0062 0.0093 1070 ASN 76 N 0.0049 0.0090 0.0059 1071 ASN 76 CA 0.0062 0.0102 0.0044 1072 ASN 76 C 0.0075 0.0117 0.0055 1073 ASN 76 O 0.0084 0.0125 0.0045 1074 ASN 76 CB 0.0068 0.0107 0.0030 1075 ASN 76 CG 0.0063 0.0100 0.0007 1076 ASN 76 OD1 0.0066 0.0102 -0.0004 1077 ASN 76 ND2 0.0057 0.0093 -0.0001 1078 ASN 76 H 0.0048 0.0090 0.0061 1079 ASN 76 HA 0.0058 0.0097 0.0034 1080 ASN 76 HB2 0.0064 0.0103 0.0036 1081 ASN 76 HB3 0.0079 0.0118 0.0030 1082 ASN 76 HD21 0.0055 0.0092 0.0007 1083 ASN 76 HD22 0.0054 0.0089 -0.0014 1084 ASP 77 N 0.0101 0.0145 0.0088 1085 ASP 77 CA 0.0114 0.0160 0.0101 1086 ASP 77 C 0.0107 0.0149 0.0100 1087 ASP 77 O 0.0112 0.0162 0.0089 1088 ASP 77 CB 0.0125 0.0165 0.0130 1089 ASP 77 CG 0.0116 0.0143 0.0151 1090 ASP 77 OD1 0.0100 0.0122 0.0145 1091 ASP 77 OD2 0.0124 0.0147 0.0175 1092 ASP 77 H 0.0099 0.0137 0.0100 1093 ASP 77 HA 0.0122 0.0176 0.0089 1094 ASP 77 HB2 0.0133 0.0174 0.0137 1095 ASP 77 HB3 0.0131 0.0175 0.0128 1096 VAL 78 N 0.0101 0.0117 0.0103 1097 VAL 78 CA 0.0092 0.0105 0.0102 1098 VAL 78 C 0.0078 0.0098 0.0081 1099 VAL 78 O 0.0070 0.0089 0.0078 1100 VAL 78 CB 0.0090 0.0087 0.0122 1101 VAL 78 CG1 0.0104 0.0094 0.0142 1102 VAL 78 CG2 0.0081 0.0075 0.0123 1103 VAL 78 H 0.0099 0.0110 0.0108 1104 VAL 78 HA 0.0098 0.0113 0.0103 1105 VAL 78 HB 0.0084 0.0080 0.0120 1106 VAL 78 HG11 0.0102 0.0083 0.0154 1107 VAL 78 HG12 0.0109 0.0102 0.0141 1108 VAL 78 HG13 0.0110 0.0102 0.0144 1109 VAL 78 HG21 0.0079 0.0063 0.0134 1110 VAL 78 HG22 0.0088 0.0082 0.0126 1111 VAL 78 HG23 0.0073 0.0071 0.0109 1112 SER 79 N 0.0069 0.0103 0.0063 1113 SER 79 CA 0.0057 0.0097 0.0044 1114 SER 79 C 0.0044 0.0077 0.0048 1115 SER 79 O 0.0036 0.0071 0.0039 1116 SER 79 CB 0.0059 0.0108 0.0028 1117 SER 79 OG 0.0068 0.0125 0.0021 1118 SER 79 H 0.0073 0.0108 0.0065 1119 SER 79 HA 0.0055 0.0098 0.0038 1120 SER 79 HB2 0.0062 0.0109 0.0034 1121 SER 79 HB3 0.0050 0.0102 0.0016 1122 SER 79 HG 0.0070 0.0132 0.0012 1123 ARG 80 N 0.0053 0.0065 0.0057 1124 ARG 80 CA 0.0035 0.0045 0.0065 1125 ARG 80 C 0.0026 0.0038 0.0063 1126 ARG 80 O 0.0036 0.0046 0.0065 1127 ARG 80 CB 0.0038 0.0038 0.0091 1128 ARG 80 CG 0.0047 0.0045 0.0097 1129 ARG 80 CD 0.0036 0.0039 0.0084 1130 ARG 80 NE 0.0044 0.0042 0.0095 1131 ARG 80 CZ 0.0040 0.0043 0.0085 1132 ARG 80 NH1 0.0029 0.0040 0.0063 1133 ARG 80 NH2 0.0048 0.0045 0.0097 1134 ARG 80 H 0.0059 0.0069 0.0063 1135 ARG 80 HA 0.0026 0.0042 0.0054 1136 ARG 80 HB2 0.0045 0.0041 0.0101 1137 ARG 80 HB3 0.0025 0.0025 0.0094 1138 ARG 80 HG2 0.0059 0.0058 0.0093 1139 ARG 80 HG3 0.0050 0.0040 0.0114 1140 ARG 80 HD2 0.0023 0.0026 0.0085 1141 ARG 80 HD3 0.0037 0.0046 0.0067 1142 ARG 80 HE 0.0051 0.0044 0.0109 1143 ARG 80 HH11 0.0024 0.0039 0.0055 1144 ARG 80 HH12 0.0026 0.0041 0.0056 1145 ARG 80 HH21 0.0055 0.0047 0.0111 1146 ARG 80 HH22 0.0046 0.0046 0.0091 1147 PHE 81 N 0.0013 0.0023 0.0044 1148 PHE 81 CA 0.0004 0.0016 0.0046 1149 PHE 81 C 0.0007 0.0006 0.0070 1150 PHE 81 O 0.0004 -0.0003 0.0084 1151 PHE 81 CB -0.0018 0.0006 0.0035 1152 PHE 81 CG -0.0023 0.0015 0.0010 1153 PHE 81 CD1 -0.0019 0.0024 -0.0002 1154 PHE 81 CD2 -0.0032 0.0014 -0.0001 1155 PHE 81 CE1 -0.0023 0.0032 -0.0025 1156 PHE 81 CE2 -0.0036 0.0022 -0.0024 1157 PHE 81 CZ -0.0032 0.0031 -0.0036 1158 PHE 81 H 0.0005 0.0019 0.0042 1159 PHE 81 HA 0.0011 0.0024 0.0039 1160 PHE 81 HB2 -0.0024 -0.0001 0.0040 1161 PHE 81 HB3 -0.0024 -0.0000 0.0038 1162 PHE 81 HD1 -0.0013 0.0024 0.0005 1163 PHE 81 HD2 -0.0035 0.0008 0.0006 1164 PHE 81 HE1 -0.0021 0.0038 -0.0032 1165 PHE 81 HE2 -0.0042 0.0022 -0.0032 1166 PHE 81 HZ -0.0036 0.0037 -0.0051 1167 LEU 82 N 0.0035 0.0012 0.0089 1168 LEU 82 CA 0.0043 0.0001 0.0113 1169 LEU 82 C 0.0034 -0.0007 0.0114 1170 LEU 82 O 0.0034 0.0003 0.0101 1171 LEU 82 CB 0.0069 0.0014 0.0122 1172 LEU 82 CG 0.0082 0.0025 0.0121 1173 LEU 82 CD1 0.0108 0.0036 0.0133 1174 LEU 82 CD2 0.0076 0.0011 0.0133 1175 LEU 82 H 0.0038 0.0021 0.0080 1176 LEU 82 HA 0.0038 -0.0009 0.0121 1177 LEU 82 HB2 0.0073 0.0024 0.0114 1178 LEU 82 HB3 0.0074 0.0006 0.0138 1179 LEU 82 HG 0.0079 0.0034 0.0105 1180 LEU 82 HD11 0.0116 0.0043 0.0132 1181 LEU 82 HD12 0.0112 0.0045 0.0125 1182 LEU 82 HD13 0.0111 0.0027 0.0149 1183 LEU 82 HD21 0.0085 0.0019 0.0133 1184 LEU 82 HD22 0.0078 0.0001 0.0149 1185 LEU 82 HD23 0.0060 0.0005 0.0125 1186 CYS 83 N 0.0051 -0.0013 0.0115 1187 CYS 83 CA 0.0047 -0.0021 0.0121 1188 CYS 83 C 0.0071 -0.0028 0.0145 1189 CYS 83 O 0.0072 -0.0046 0.0166 1190 CYS 83 CB 0.0019 -0.0043 0.0122 1191 CYS 83 SG 0.0016 -0.0051 0.0129 1192 CYS 83 H 0.0049 -0.0024 0.0126 1193 CYS 83 HA 0.0048 -0.0007 0.0107 1194 CYS 83 HB2 0.0004 -0.0039 0.0107 1195 CYS 83 HB3 0.0018 -0.0056 0.0136 1196 PRO 84 N 0.0094 -0.0028 0.0157 1197 PRO 84 CA 0.0124 -0.0033 0.0188 1198 PRO 84 C 0.0110 -0.0058 0.0213 1199 PRO 84 O 0.0133 -0.0065 0.0241 1200 PRO 84 CB 0.0151 -0.0007 0.0169 1201 PRO 84 CG 0.0125 0.0003 0.0135 1202 PRO 84 CD 0.0095 -0.0005 0.0123 1203 PRO 84 HA 0.0138 -0.0035 0.0201 1204 PRO 84 HB2 0.0163 -0.0011 0.0185 1205 PRO 84 HB3 0.0171 0.0006 0.0165 1206 PRO 84 HG2 0.0113 -0.0006 0.0139 1207 PRO 84 HG3 0.0140 0.0022 0.0117 1208 PRO 84 HD2 0.0070 -0.0010 0.0111 1209 PRO 84 HD3 0.0102 0.0010 0.0107 1210 CYS 85 N 0.0100 -0.0051 0.0207 1211 CYS 85 CA 0.0089 -0.0074 0.0230 1212 CYS 85 C 0.0089 -0.0099 0.0263 1213 CYS 85 O 0.0104 -0.0111 0.0290 1214 CYS 85 CB 0.0052 -0.0079 0.0212 1215 CYS 85 SG 0.0058 -0.0054 0.0183 1216 CYS 85 H 0.0083 -0.0047 0.0190 1217 CYS 85 HA 0.0108 -0.0068 0.0235 1218 CYS 85 HB2 0.0035 -0.0078 0.0199 1219 CYS 85 HB3 0.0041 -0.0097 0.0228 1220 HIS 86 N 0.0066 -0.0099 0.0276 1221 HIS 86 CA 0.0065 -0.0122 0.0303 1222 HIS 86 C 0.0070 -0.0117 0.0300 1223 HIS 86 O 0.0058 -0.0135 0.0313 1224 HIS 86 CB 0.0032 -0.0148 0.0309 1225 HIS 86 CG 0.0022 -0.0152 0.0307 1226 HIS 86 ND1 0.0000 -0.0143 0.0280 1227 HIS 86 CD2 0.0032 -0.0163 0.0327 1228 HIS 86 CE1 -0.0003 -0.0149 0.0285 1229 HIS 86 NE2 0.0017 -0.0161 0.0313 1230 HIS 86 H 0.0055 -0.0091 0.0259 1231 HIS 86 HA 0.0083 -0.0126 0.0320 1232 HIS 86 HB2 0.0013 -0.0147 0.0294 1233 HIS 86 HB3 0.0034 -0.0164 0.0329 1234 HIS 86 HD2 0.0047 -0.0171 0.0347 1235 HIS 86 HE1 -0.0016 -0.0145 0.0271 1236 HIS 86 HE2 0.0019 -0.0166 0.0321 1237 GLU 87 N 0.0080 -0.0103 0.0277 1238 GLU 87 CA 0.0098 -0.0086 0.0272 1239 GLU 87 C 0.0059 -0.0094 0.0243 1240 GLU 87 O 0.0059 -0.0100 0.0252 1241 GLU 87 CB 0.0127 -0.0100 0.0321 1242 GLU 87 CG 0.0169 -0.0092 0.0352 1243 GLU 87 CD 0.0201 -0.0102 0.0398 1244 GLU 87 OE1 0.0214 -0.0091 0.0396 1245 GLU 87 OE2 0.0212 -0.0121 0.0437 1246 GLU 87 H 0.0090 -0.0086 0.0263 1247 GLU 87 HA 0.0121 -0.0057 0.0254 1248 GLU 87 HB2 0.0105 -0.0129 0.0339 1249 GLU 87 HB3 0.0140 -0.0087 0.0316 1250 GLU 87 HG2 0.0189 -0.0064 0.0333 1251 GLU 87 HG3 0.0156 -0.0107 0.0361 1252 GLY 88 N 0.0046 -0.0083 0.0215 1253 GLY 88 CA 0.0023 -0.0084 0.0194 1254 GLY 88 C 0.0035 -0.0060 0.0176 1255 GLY 88 O 0.0053 -0.0039 0.0169 1256 GLY 88 H 0.0045 -0.0081 0.0212 1257 GLY 88 HA2 0.0015 -0.0098 0.0203 1258 GLY 88 HA3 0.0009 -0.0085 0.0182 1259 VAL 89 N 0.0018 -0.0062 0.0167 1260 VAL 89 CA 0.0024 -0.0042 0.0150 1261 VAL 89 C 0.0000 -0.0046 0.0130 1262 VAL 89 O -0.0014 -0.0065 0.0136 1263 VAL 89 CB 0.0041 -0.0037 0.0163 1264 VAL 89 CG1 0.0046 -0.0015 0.0145 1265 VAL 89 CG2 0.0063 -0.0035 0.0185 1266 VAL 89 H 0.0008 -0.0075 0.0171 1267 VAL 89 HA 0.0031 -0.0028 0.0143 1268 VAL 89 HB 0.0032 -0.0050 0.0170 1269 VAL 89 HG11 0.0059 -0.0011 0.0154 1270 VAL 89 HG12 0.0032 -0.0018 0.0133 1271 VAL 89 HG13 0.0052 -0.0003 0.0137 1272 VAL 89 HG21 0.0074 -0.0032 0.0193 1273 VAL 89 HG22 0.0071 -0.0022 0.0179 1274 VAL 89 HG23 0.0059 -0.0049 0.0197 1275 PHE 90 N -0.0001 -0.0028 0.0093 1276 PHE 90 CA -0.0018 -0.0029 0.0077 1277 PHE 90 C -0.0011 -0.0012 0.0063 1278 PHE 90 O 0.0005 0.0003 0.0061 1279 PHE 90 CB -0.0034 -0.0029 0.0063 1280 PHE 90 CG -0.0039 -0.0043 0.0075 1281 PHE 90 CD1 -0.0026 -0.0039 0.0082 1282 PHE 90 CD2 -0.0057 -0.0060 0.0078 1283 PHE 90 CE1 -0.0031 -0.0052 0.0093 1284 PHE 90 CE2 -0.0062 -0.0073 0.0089 1285 PHE 90 CZ -0.0049 -0.0069 0.0096 1286 PHE 90 H 0.0008 -0.0018 0.0089 1287 PHE 90 HA -0.0026 -0.0040 0.0082 1288 PHE 90 HB2 -0.0027 -0.0018 0.0055 1289 PHE 90 HB3 -0.0046 -0.0032 0.0054 1290 PHE 90 HD1 -0.0015 -0.0028 0.0079 1291 PHE 90 HD2 -0.0065 -0.0063 0.0073 1292 PHE 90 HE1 -0.0022 -0.0049 0.0098 1293 PHE 90 HE2 -0.0074 -0.0084 0.0091 1294 PHE 90 HZ -0.0052 -0.0078 0.0104 1295 ASP 91 N -0.0024 -0.0010 0.0053 1296 ASP 91 CA -0.0016 0.0008 0.0035 1297 ASP 91 C -0.0024 0.0015 0.0011 1298 ASP 91 O -0.0036 0.0006 0.0008 1299 ASP 91 CB -0.0020 0.0005 0.0034 1300 ASP 91 CG -0.0042 -0.0007 0.0021 1301 ASP 91 OD1 -0.0055 -0.0011 0.0007 1302 ASP 91 OD2 -0.0046 -0.0013 0.0024 1303 ASP 91 H -0.0034 -0.0021 0.0055 1304 ASP 91 HA -0.0001 0.0018 0.0041 1305 ASP 91 HB2 -0.0011 0.0018 0.0026 1306 ASP 91 HB3 -0.0016 -0.0001 0.0050 1307 VAL 92 N -0.0033 0.0033 -0.0014 1308 VAL 92 CA -0.0035 0.0038 -0.0028 1309 VAL 92 C -0.0047 0.0027 -0.0041 1310 VAL 92 O -0.0051 0.0028 -0.0052 1311 VAL 92 CB -0.0026 0.0055 -0.0036 1312 VAL 92 CG1 -0.0029 0.0057 -0.0048 1313 VAL 92 CG2 -0.0026 0.0062 -0.0047 1314 VAL 92 H -0.0028 0.0040 -0.0014 1315 VAL 92 HA -0.0034 0.0037 -0.0023 1316 VAL 92 HB -0.0019 0.0061 -0.0027 1317 VAL 92 HG11 -0.0023 0.0068 -0.0051 1318 VAL 92 HG12 -0.0031 0.0052 -0.0041 1319 VAL 92 HG13 -0.0036 0.0053 -0.0058 1320 VAL 92 HG21 -0.0020 0.0073 -0.0052 1321 VAL 92 HG22 -0.0033 0.0057 -0.0056 1322 VAL 92 HG23 -0.0023 0.0061 -0.0039 1323 ASN 93 N -0.0048 0.0023 -0.0043 1324 ASN 93 CA -0.0061 0.0010 -0.0054 1325 ASN 93 C -0.0069 -0.0007 -0.0043 1326 ASN 93 O -0.0080 -0.0020 -0.0050 1327 ASN 93 CB -0.0064 0.0008 -0.0060 1328 ASN 93 CG -0.0059 0.0024 -0.0073 1329 ASN 93 OD1 -0.0058 0.0031 -0.0086 1330 ASN 93 ND2 -0.0054 0.0029 -0.0070 1331 ASN 93 H -0.0045 0.0023 -0.0036 1332 ASN 93 HA -0.0063 0.0013 -0.0065 1333 ASN 93 HB2 -0.0061 0.0006 -0.0048 1334 ASN 93 HB3 -0.0073 -0.0001 -0.0066 1335 ASN 93 HD21 -0.0054 0.0023 -0.0061 1336 ASN 93 HD22 -0.0051 0.0038 -0.0077 1337 GLY 94 N -0.0064 -0.0004 -0.0020 1338 GLY 94 CA -0.0073 -0.0018 -0.0010 1339 GLY 94 C -0.0077 -0.0036 0.0011 1340 GLY 94 O -0.0085 -0.0048 0.0020 1341 GLY 94 H -0.0050 0.0003 -0.0016 1342 GLY 94 HA2 -0.0063 -0.0014 -0.0006 1343 GLY 94 HA3 -0.0087 -0.0020 -0.0020 1344 LYS 95 N -0.0088 -0.0043 0.0024 1345 LYS 95 CA -0.0094 -0.0066 0.0046 1346 LYS 95 C -0.0072 -0.0071 0.0071 1347 LYS 95 O -0.0047 -0.0056 0.0074 1348 LYS 95 CB -0.0096 -0.0068 0.0047 1349 LYS 95 CG -0.0104 -0.0092 0.0068 1350 LYS 95 CD -0.0098 -0.0091 0.0074 1351 LYS 95 CE -0.0102 -0.0115 0.0098 1352 LYS 95 NZ -0.0109 -0.0132 0.0113 1353 LYS 95 H -0.0081 -0.0032 0.0018 1354 LYS 95 HA -0.0112 -0.0077 0.0045 1355 LYS 95 HB2 -0.0110 -0.0064 0.0031 1356 LYS 95 HB3 -0.0079 -0.0057 0.0049 1357 LYS 95 HG2 -0.0094 -0.0098 0.0084 1358 LYS 95 HG3 -0.0124 -0.0101 0.0064 1359 LYS 95 HD2 -0.0110 -0.0087 0.0059 1360 LYS 95 HD3 -0.0079 -0.0080 0.0076 1361 LYS 95 HE2 -0.0117 -0.0121 0.0093 1362 LYS 95 HE3 -0.0086 -0.0113 0.0109 1363 LYS 95 HZ1 -0.0095 -0.0127 0.0118 1364 LYS 95 HZ2 -0.0111 -0.0145 0.0127 1365 LYS 95 HZ3 -0.0124 -0.0135 0.0103 1366 THR 96 N -0.0081 -0.0091 0.0096 1367 THR 96 CA -0.0062 -0.0097 0.0120 1368 THR 96 C -0.0052 -0.0099 0.0132 1369 THR 96 O -0.0065 -0.0111 0.0133 1370 THR 96 CB -0.0073 -0.0120 0.0134 1371 THR 96 OG1 -0.0089 -0.0121 0.0120 1372 THR 96 CG2 -0.0053 -0.0122 0.0156 1373 THR 96 H -0.0095 -0.0102 0.0093 1374 THR 96 HA -0.0050 -0.0085 0.0119 1375 THR 96 HB -0.0082 -0.0132 0.0139 1376 THR 96 HG1 -0.0095 -0.0134 0.0128 1377 THR 96 HG21 -0.0058 -0.0132 0.0162 1378 THR 96 HG22 -0.0046 -0.0128 0.0168 1379 THR 96 HG23 -0.0040 -0.0107 0.0153 1380 ILE 97 N -0.0038 -0.0091 0.0140 1381 ILE 97 CA -0.0025 -0.0090 0.0154 1382 ILE 97 C -0.0009 -0.0098 0.0182 1383 ILE 97 O -0.0001 -0.0102 0.0197 1384 ILE 97 CB -0.0012 -0.0065 0.0141 1385 ILE 97 CG1 0.0008 -0.0045 0.0141 1386 ILE 97 CG2 -0.0030 -0.0059 0.0113 1387 ILE 97 CD1 0.0022 -0.0020 0.0130 1388 ILE 97 H -0.0029 -0.0082 0.0140 1389 ILE 97 HA -0.0037 -0.0102 0.0153 1390 ILE 97 HB -0.0005 -0.0066 0.0151 1391 ILE 97 HG12 0.0000 -0.0044 0.0131 1392 ILE 97 HG13 0.0018 -0.0049 0.0159 1393 ILE 97 HG21 -0.0022 -0.0045 0.0106 1394 ILE 97 HG22 -0.0043 -0.0073 0.0113 1395 ILE 97 HG23 -0.0035 -0.0056 0.0103 1396 ILE 97 HD11 0.0036 -0.0009 0.0133 1397 ILE 97 HD12 0.0028 -0.0022 0.0139 1398 ILE 97 HD13 0.0012 -0.0014 0.0112 1399 SER 98 N -0.0006 -0.0105 0.0205 1400 SER 98 C 0.0004 -0.0124 0.0237 1401 SER 98 O -0.0004 -0.0113 0.0216 1402 SER 98 CA 0.0009 -0.0117 0.0235 1403 SER 98 CB 0.0041 -0.0101 0.0247 1404 SER 98 OG 0.0056 -0.0079 0.0237 1405 SER 98 H -0.0011 -0.0099 0.0193 1406 SER 98 HA 0.0001 -0.0133 0.0246 1407 SER 98 HB2 0.0048 -0.0111 0.0268 1408 SER 98 HB3 0.0043 -0.0095 0.0242 1409 SER 98 HG 0.0055 -0.0084 0.0242 1410 SER 98 CA 0.0010 -0.0116 0.0234 1411 SER 98 CB 0.0042 -0.0096 0.0243 1412 SER 98 OG 0.0057 -0.0108 0.0273 1413 SER 98 H -0.0012 -0.0100 0.0193 1414 SER 98 HA 0.0005 -0.0131 0.0247 1415 SER 98 HB2 0.0045 -0.0088 0.0237 1416 SER 98 HB3 0.0049 -0.0083 0.0234 1417 SER 98 HG 0.0052 -0.0118 0.0279 1418 GLY 99 N 0.0012 -0.0145 0.0269 1419 GLY 99 CA 0.0008 -0.0151 0.0273 1420 GLY 99 C -0.0018 -0.0170 0.0272 1421 GLY 99 O -0.0035 -0.0179 0.0268 1422 GLY 99 H 0.0017 -0.0153 0.0282 1423 GLY 99 HA2 0.0020 -0.0156 0.0289 1424 GLY 99 HA3 0.0011 -0.0139 0.0261 1425 PRO 100 N -0.0019 -0.0165 0.0281 1426 PRO 100 CA -0.0043 -0.0184 0.0286 1427 PRO 100 C -0.0065 -0.0185 0.0263 1428 PRO 100 O -0.0086 -0.0201 0.0266 1429 PRO 100 CB -0.0039 -0.0190 0.0301 1430 PRO 100 CG -0.0022 -0.0172 0.0289 1431 PRO 100 CD -0.0004 -0.0157 0.0285 1432 PRO 100 HA -0.0046 -0.0192 0.0298 1433 PRO 100 HB2 -0.0055 -0.0199 0.0298 1434 PRO 100 HB3 -0.0032 -0.0195 0.0319 1435 PRO 100 HG2 -0.0031 -0.0169 0.0273 1436 PRO 100 HG3 -0.0014 -0.0173 0.0301 1437 PRO 100 HD2 0.0001 -0.0145 0.0270 1438 PRO 100 HD3 0.0010 -0.0156 0.0300 1439 ALA 101 N -0.0062 -0.0149 0.0216 1440 ALA 101 CA -0.0087 -0.0149 0.0192 1441 ALA 101 C -0.0110 -0.0164 0.0195 1442 ALA 101 O -0.0104 -0.0165 0.0203 1443 ALA 101 CB -0.0079 -0.0127 0.0164 1444 ALA 101 H -0.0046 -0.0137 0.0212 1445 ALA 101 HA -0.0094 -0.0153 0.0192 1446 ALA 101 HB1 -0.0096 -0.0128 0.0148 1447 ALA 101 HB2 -0.0064 -0.0118 0.0162 1448 ALA 101 HB3 -0.0072 -0.0123 0.0164 1449 PRO 102 N -0.0121 -0.0166 0.0205 1450 PRO 102 CA -0.0142 -0.0179 0.0208 1451 PRO 102 C -0.0149 -0.0172 0.0181 1452 PRO 102 O -0.0167 -0.0182 0.0181 1453 PRO 102 CB -0.0170 -0.0196 0.0212 1454 PRO 102 CG -0.0167 -0.0186 0.0191 1455 PRO 102 CD -0.0135 -0.0171 0.0197 1456 PRO 102 HA -0.0135 -0.0184 0.0227 1457 PRO 102 HB2 -0.0187 -0.0203 0.0204 1458 PRO 102 HB3 -0.0169 -0.0205 0.0233 1459 PRO 102 HG2 -0.0174 -0.0181 0.0169 1460 PRO 102 HG3 -0.0179 -0.0195 0.0196 1461 PRO 102 HD2 -0.0129 -0.0160 0.0179 1462 PRO 102 HD3 -0.0130 -0.0176 0.0215 1463 ARG 103 N -0.0105 -0.0131 0.0118 1464 ARG 103 CA -0.0116 -0.0122 0.0104 1465 ARG 103 C -0.0099 -0.0106 0.0094 1466 ARG 103 O -0.0081 -0.0101 0.0096 1467 ARG 103 CB -0.0137 -0.0119 0.0093 1468 ARG 103 CG -0.0133 -0.0111 0.0087 1469 ARG 103 CD -0.0150 -0.0102 0.0070 1470 ARG 103 NE -0.0146 -0.0087 0.0056 1471 ARG 103 CZ -0.0161 -0.0079 0.0042 1472 ARG 103 NH1 -0.0181 -0.0083 0.0038 1473 ARG 103 NH2 -0.0156 -0.0065 0.0030 1474 ARG 103 H -0.0093 -0.0125 0.0116 1475 ARG 103 HA -0.0120 -0.0128 0.0109 1476 ARG 103 HB2 -0.0142 -0.0111 0.0083 1477 ARG 103 HB3 -0.0148 -0.0129 0.0100 1478 ARG 103 HG2 -0.0135 -0.0120 0.0095 1479 ARG 103 HG3 -0.0118 -0.0104 0.0085 1480 ARG 103 HD2 -0.0165 -0.0108 0.0072 1481 ARG 103 HD3 -0.0148 -0.0098 0.0067 1482 ARG 103 HE -0.0133 -0.0084 0.0058 1483 ARG 103 HH11 -0.0184 -0.0091 0.0046 1484 ARG 103 HH12 -0.0191 -0.0077 0.0029 1485 ARG 103 HH21 -0.0143 -0.0062 0.0032 1486 ARG 103 HH22 -0.0165 -0.0060 0.0021 1487 GLY 104 N -0.0118 -0.0104 0.0072 1488 GLY 104 CA -0.0101 -0.0082 0.0059 1489 GLY 104 C -0.0103 -0.0064 0.0043 1490 GLY 104 O -0.0115 -0.0067 0.0041 1491 GLY 104 H -0.0134 -0.0108 0.0069 1492 GLY 104 HA2 -0.0082 -0.0083 0.0067 1493 GLY 104 HA3 -0.0108 -0.0078 0.0053 1494 MET 105 N -0.0089 -0.0034 0.0011 1495 MET 105 CA -0.0090 -0.0030 -0.0000 1496 MET 105 C -0.0103 -0.0032 -0.0010 1497 MET 105 O -0.0108 -0.0033 -0.0011 1498 MET 105 CB -0.0077 -0.0023 -0.0007 1499 MET 105 CG -0.0065 -0.0021 0.0001 1500 MET 105 SD -0.0049 -0.0013 -0.0004 1501 MET 105 CE -0.0051 -0.0007 -0.0020 1502 MET 105 H -0.0082 -0.0032 0.0011 1503 MET 105 HA -0.0090 -0.0032 0.0003 1504 MET 105 HB2 -0.0075 -0.0021 -0.0009 1505 MET 105 HB3 -0.0079 -0.0020 -0.0016 1506 MET 105 HG2 -0.0066 -0.0022 0.0001 1507 MET 105 HG3 -0.0065 -0.0025 0.0010 1508 MET 105 HE1 -0.0043 -0.0002 -0.0024 1509 MET 105 HE2 -0.0059 -0.0008 -0.0026 1510 MET 105 HE3 -0.0053 -0.0008 -0.0019 1511 TYR 106 N -0.0086 -0.0009 -0.0022 1512 TYR 106 CA -0.0105 -0.0013 -0.0038 1513 TYR 106 C -0.0095 -0.0006 -0.0061 1514 TYR 106 O -0.0081 -0.0000 -0.0072 1515 TYR 106 CB -0.0120 -0.0017 -0.0044 1516 TYR 106 CG -0.0130 -0.0023 -0.0023 1517 TYR 106 CD1 -0.0147 -0.0031 -0.0012 1518 TYR 106 CD2 -0.0123 -0.0022 -0.0015 1519 TYR 106 CE1 -0.0157 -0.0037 0.0008 1520 TYR 106 CE2 -0.0132 -0.0028 0.0004 1521 TYR 106 CZ -0.0149 -0.0035 0.0015 1522 TYR 106 OH -0.0159 -0.0041 0.0034 1523 TYR 106 H -0.0084 -0.0008 -0.0022 1524 TYR 106 HA -0.0114 -0.0017 -0.0031 1525 TYR 106 HB2 -0.0111 -0.0013 -0.0052 1526 TYR 106 HB3 -0.0132 -0.0020 -0.0055 1527 TYR 106 HD1 -0.0152 -0.0032 -0.0017 1528 TYR 106 HD2 -0.0111 -0.0017 -0.0023 1529 TYR 106 HE1 -0.0168 -0.0042 0.0015 1530 TYR 106 HE2 -0.0127 -0.0027 0.0009 1531 TYR 106 HH -0.0160 -0.0043 0.0046 1532 SER 107 N -0.0074 -0.0006 -0.0067 1533 SER 107 CA -0.0072 -0.0006 -0.0069 1534 SER 107 C -0.0072 -0.0009 -0.0071 1535 SER 107 O -0.0073 -0.0009 -0.0071 1536 SER 107 CB -0.0069 -0.0004 -0.0069 1537 SER 107 OG -0.0069 -0.0004 -0.0068 1538 SER 107 H -0.0074 -0.0005 -0.0067 1539 SER 107 HA -0.0072 -0.0007 -0.0069 1540 SER 107 HB2 -0.0068 -0.0005 -0.0070 1541 SER 107 HB3 -0.0069 -0.0003 -0.0067 1542 SER 107 HG -0.0069 -0.0005 -0.0070 1543 SER 107 N -0.0074 -0.0006 -0.0067 1544 SER 107 CA -0.0072 -0.0006 -0.0069 1545 SER 107 C -0.0072 -0.0009 -0.0071 1546 SER 107 O -0.0073 -0.0009 -0.0071 1547 SER 107 CB -0.0069 -0.0005 -0.0069 1548 SER 107 OG -0.0067 -0.0005 -0.0071 1549 SER 107 H -0.0075 -0.0005 -0.0066 1550 SER 107 HA -0.0071 -0.0006 -0.0069 1551 SER 107 HB2 -0.0069 -0.0003 -0.0067 1552 SER 107 HB3 -0.0070 -0.0005 -0.0069 1553 SER 107 HG -0.0067 -0.0006 -0.0072 1554 TYR 108 N -0.0056 0.0022 -0.0070 1555 TYR 108 CA -0.0050 0.0020 -0.0063 1556 TYR 108 C -0.0043 0.0017 -0.0054 1557 TYR 108 O -0.0046 0.0010 -0.0052 1558 TYR 108 CB -0.0056 0.0011 -0.0062 1559 TYR 108 CG -0.0061 0.0014 -0.0068 1560 TYR 108 CD1 -0.0068 0.0016 -0.0077 1561 TYR 108 CD2 -0.0058 0.0013 -0.0066 1562 TYR 108 CE1 -0.0072 0.0018 -0.0083 1563 TYR 108 CE2 -0.0063 0.0016 -0.0072 1564 TYR 108 CZ -0.0070 0.0018 -0.0081 1565 TYR 108 OH -0.0074 0.0021 -0.0087 1566 TYR 108 H -0.0060 0.0017 -0.0070 1567 TYR 108 HA -0.0047 0.0026 -0.0064 1568 TYR 108 HB2 -0.0060 0.0006 -0.0062 1569 TYR 108 HB3 -0.0052 0.0009 -0.0056 1570 TYR 108 HD1 -0.0070 0.0016 -0.0079 1571 TYR 108 HD2 -0.0054 0.0012 -0.0060 1572 TYR 108 HE1 -0.0077 0.0020 -0.0089 1573 TYR 108 HE2 -0.0061 0.0016 -0.0071 1574 TYR 108 HH -0.0075 0.0017 -0.0085 1575 ARG 109 N -0.0019 0.0017 -0.0059 1576 ARG 109 CA -0.0007 0.0010 -0.0046 1577 ARG 109 C -0.0015 -0.0008 -0.0035 1578 ARG 109 O -0.0020 -0.0014 -0.0032 1579 ARG 109 CB 0.0013 0.0016 -0.0041 1580 ARG 109 CG 0.0026 0.0009 -0.0027 1581 ARG 109 CD 0.0045 0.0017 -0.0023 1582 ARG 109 NE 0.0059 0.0011 -0.0010 1583 ARG 109 CZ 0.0071 0.0006 0.0001 1584 ARG 109 NH1 0.0071 0.0007 0.0001 1585 ARG 109 NH2 0.0083 0.0002 0.0012 1586 ARG 109 H -0.0014 0.0023 -0.0062 1587 ARG 109 HA -0.0005 0.0013 -0.0048 1588 ARG 109 HB2 0.0018 0.0028 -0.0048 1589 ARG 109 HB3 0.0011 0.0014 -0.0039 1590 ARG 109 HG2 0.0022 -0.0002 -0.0019 1591 ARG 109 HG3 0.0028 0.0012 -0.0028 1592 ARG 109 HD2 0.0049 0.0028 -0.0031 1593 ARG 109 HD3 0.0044 0.0014 -0.0021 1594 ARG 109 HE 0.0059 0.0011 -0.0009 1595 ARG 109 HH11 0.0064 0.0010 -0.0006 1596 ARG 109 HH12 0.0080 0.0004 0.0008 1597 ARG 109 HH21 0.0083 0.0001 0.0012 1598 ARG 109 HH22 0.0091 -0.0001 0.0020 1599 THR 110 N 0.0018 0.0004 -0.0047 1600 THR 110 CA 0.0013 -0.0014 -0.0043 1601 THR 110 C 0.0029 -0.0022 -0.0036 1602 THR 110 O 0.0041 -0.0014 -0.0035 1603 THR 110 CB 0.0000 -0.0013 -0.0047 1604 THR 110 OG1 -0.0014 -0.0004 -0.0054 1605 THR 110 CG2 -0.0006 -0.0031 -0.0044 1606 THR 110 H 0.0025 0.0009 -0.0046 1607 THR 110 HA 0.0008 -0.0021 -0.0043 1608 THR 110 HB 0.0006 -0.0008 -0.0047 1609 THR 110 HG1 -0.0021 -0.0003 -0.0057 1610 THR 110 HG21 -0.0016 -0.0031 -0.0047 1611 THR 110 HG22 0.0003 -0.0037 -0.0040 1612 THR 110 HG23 -0.0010 -0.0038 -0.0044 1613 THR 110 N 0.0018 0.0004 -0.0047 1614 THR 110 CA 0.0013 -0.0014 -0.0043 1615 THR 110 C 0.0029 -0.0022 -0.0036 1616 THR 110 O 0.0041 -0.0014 -0.0035 1617 THR 110 CB 0.0000 -0.0013 -0.0047 1618 THR 110 OG1 0.0009 -0.0004 -0.0047 1619 THR 110 CG2 -0.0015 -0.0005 -0.0055 1620 THR 110 H 0.0025 0.0009 -0.0046 1621 THR 110 HA 0.0008 -0.0020 -0.0043 1622 THR 110 HB -0.0003 -0.0025 -0.0045 1623 THR 110 HG1 0.0001 -0.0003 -0.0050 1624 THR 110 HG21 -0.0018 0.0004 -0.0058 1625 THR 110 HG22 -0.0025 -0.0013 -0.0055 1626 THR 110 HG23 -0.0014 0.0001 -0.0056 1627 LYS 111 N 0.0049 -0.0028 -0.0020 1628 LYS 111 CA 0.0062 -0.0040 -0.0011 1629 LYS 111 C 0.0051 -0.0060 -0.0007 1630 LYS 111 O 0.0036 -0.0066 -0.0011 1631 LYS 111 CB 0.0080 -0.0042 -0.0003 1632 LYS 111 CG 0.0075 -0.0054 0.0000 1633 LYS 111 CD 0.0093 -0.0056 0.0008 1634 LYS 111 CE 0.0089 -0.0067 0.0011 1635 LYS 111 NZ 0.0107 -0.0070 0.0019 1636 LYS 111 H 0.0041 -0.0035 -0.0021 1637 LYS 111 HA 0.0067 -0.0034 -0.0011 1638 LYS 111 HB2 0.0089 -0.0048 0.0003 1639 LYS 111 HB3 0.0085 -0.0029 -0.0006 1640 LYS 111 HG2 0.0067 -0.0048 -0.0006 1641 LYS 111 HG3 0.0069 -0.0067 0.0003 1642 LYS 111 HD2 0.0102 -0.0062 0.0014 1643 LYS 111 HD3 0.0100 -0.0043 0.0005 1644 LYS 111 HE2 0.0081 -0.0060 0.0005 1645 LYS 111 HE3 0.0082 -0.0080 0.0013 1646 LYS 111 HZ1 0.0115 -0.0060 0.0018 1647 LYS 111 HZ2 0.0104 -0.0073 0.0019 1648 LYS 111 HZ3 0.0112 -0.0080 0.0025 1649 VAL 112 N 0.0104 -0.0062 -0.0031 1650 VAL 112 CA 0.0096 -0.0087 -0.0026 1651 VAL 112 C 0.0118 -0.0106 -0.0019 1652 VAL 112 O 0.0141 -0.0100 -0.0018 1653 VAL 112 CB 0.0093 -0.0085 -0.0027 1654 VAL 112 CG1 0.0085 -0.0112 -0.0021 1655 VAL 112 CG2 0.0073 -0.0065 -0.0034 1656 VAL 112 H 0.0118 -0.0055 -0.0031 1657 VAL 112 HA 0.0079 -0.0094 -0.0026 1658 VAL 112 HB 0.0110 -0.0080 -0.0026 1659 VAL 112 HG11 0.0083 -0.0110 -0.0022 1660 VAL 112 HG12 0.0099 -0.0124 -0.0017 1661 VAL 112 HG13 0.0068 -0.0117 -0.0021 1662 VAL 112 HG21 0.0070 -0.0065 -0.0034 1663 VAL 112 HG22 0.0056 -0.0069 -0.0034 1664 VAL 112 HG23 0.0079 -0.0048 -0.0037 1665 GLU 113 N 0.0116 -0.0121 0.0002 1666 GLU 113 CA 0.0140 -0.0148 0.0004 1667 GLU 113 C 0.0131 -0.0183 0.0005 1668 GLU 113 O 0.0100 -0.0195 0.0003 1669 GLU 113 CB 0.0137 -0.0150 0.0004 1670 GLU 113 CG 0.0158 -0.0181 0.0006 1671 GLU 113 CD 0.0154 -0.0186 0.0006 1672 GLU 113 OE1 0.0158 -0.0160 0.0006 1673 GLU 113 OE2 0.0146 -0.0215 0.0007 1674 GLU 113 H 0.0095 -0.0127 0.0000 1675 GLU 113 HA 0.0164 -0.0141 0.0005 1676 GLU 113 HB2 0.0146 -0.0129 0.0004 1677 GLU 113 HB3 0.0113 -0.0154 0.0002 1678 GLU 113 HG2 0.0150 -0.0202 0.0007 1679 GLU 113 HG3 0.0183 -0.0177 0.0008 1680 ASN 114 N 0.0189 -0.0214 -0.0010 1681 ASN 114 CA 0.0179 -0.0249 -0.0003 1682 ASN 114 C 0.0133 -0.0238 0.0006 1683 ASN 114 O 0.0105 -0.0268 0.0016 1684 ASN 114 CB 0.0181 -0.0297 0.0003 1685 ASN 114 CG 0.0227 -0.0308 -0.0006 1686 ASN 114 OD1 0.0262 -0.0291 -0.0016 1687 ASN 114 ND2 0.0226 -0.0337 -0.0002 1688 ASN 114 H 0.0216 -0.0203 -0.0018 1689 ASN 114 HA 0.0202 -0.0249 -0.0008 1690 ASN 114 HB2 0.0157 -0.0299 0.0009 1691 ASN 114 HB3 0.0175 -0.0320 0.0007 1692 ASN 114 HD21 0.0251 -0.0345 -0.0007 1693 ASN 114 HD22 0.0201 -0.0349 0.0005 1694 ASN 115 N 0.0119 -0.0198 -0.0003 1695 ASN 115 CA 0.0090 -0.0189 -0.0002 1696 ASN 115 C 0.0057 -0.0185 -0.0001 1697 ASN 115 O 0.0030 -0.0180 -0.0001 1698 ASN 115 CB 0.0085 -0.0214 0.0001 1699 ASN 115 CG 0.0067 -0.0199 -0.0000 1700 ASN 115 OD1 0.0072 -0.0170 -0.0004 1701 ASN 115 ND2 0.0045 -0.0218 0.0004 1702 ASN 115 H 0.0133 -0.0181 -0.0005 1703 ASN 115 HA 0.0095 -0.0167 -0.0006 1704 ASN 115 HB2 0.0107 -0.0222 0.0001 1705 ASN 115 HB3 0.0071 -0.0232 0.0004 1706 ASN 115 HD21 0.0041 -0.0238 0.0006 1707 ASN 115 HD22 0.0034 -0.0210 0.0003 1708 ASN 115 N 0.0119 -0.0197 -0.0003 1709 ASN 115 CA 0.0090 -0.0188 -0.0002 1710 ASN 115 C 0.0057 -0.0184 -0.0002 1711 ASN 115 O 0.0031 -0.0179 -0.0001 1712 ASN 115 CB 0.0085 -0.0213 0.0001 1713 ASN 115 CG 0.0113 -0.0212 -0.0000 1714 ASN 115 OD1 0.0129 -0.0187 -0.0005 1715 ASN 115 ND2 0.0119 -0.0241 0.0003 1716 ASN 115 H 0.0133 -0.0181 -0.0005 1717 ASN 115 HA 0.0096 -0.0167 -0.0006 1718 ASN 115 HB2 0.0083 -0.0235 0.0004 1719 ASN 115 HB3 0.0064 -0.0207 0.0001 1720 ASN 115 HD21 0.0107 -0.0258 0.0006 1721 ASN 115 HD22 0.0135 -0.0242 0.0002 1722 THR 116 N 0.0058 -0.0179 0.0005 1723 THR 116 CA 0.0033 -0.0172 0.0003 1724 THR 116 C 0.0036 -0.0140 -0.0004 1725 THR 116 O 0.0061 -0.0129 -0.0006 1726 THR 116 CB 0.0033 -0.0193 0.0008 1727 THR 116 OG1 0.0027 -0.0223 0.0014 1728 THR 116 CG2 0.0010 -0.0184 0.0005 1729 THR 116 H 0.0076 -0.0181 0.0006 1730 THR 116 HA 0.0014 -0.0174 0.0003 1731 THR 116 HB 0.0053 -0.0193 0.0008 1732 THR 116 HG1 0.0027 -0.0235 0.0017 1733 THR 116 HG21 0.0006 -0.0201 0.0009 1734 THR 116 HG22 0.0017 -0.0167 0.0002 1735 THR 116 HG23 -0.0009 -0.0179 0.0004 1736 VAL 117 N 0.0002 -0.0118 -0.0011 1737 VAL 117 CA 0.0002 -0.0094 -0.0018 1738 VAL 117 C 0.0001 -0.0095 -0.0017 1739 VAL 117 O -0.0015 -0.0106 -0.0015 1740 VAL 117 CB -0.0019 -0.0082 -0.0022 1741 VAL 117 CG1 -0.0020 -0.0058 -0.0029 1742 VAL 117 CG2 -0.0018 -0.0082 -0.0022 1743 VAL 117 H -0.0011 -0.0123 -0.0010 1744 VAL 117 HA 0.0016 -0.0087 -0.0019 1745 VAL 117 HB -0.0033 -0.0089 -0.0020 1746 VAL 117 HG11 -0.0031 -0.0050 -0.0031 1747 VAL 117 HG12 -0.0024 -0.0059 -0.0029 1748 VAL 117 HG13 -0.0005 -0.0051 -0.0030 1749 VAL 117 HG21 -0.0031 -0.0073 -0.0025 1750 VAL 117 HG22 -0.0003 -0.0076 -0.0023 1751 VAL 117 HG23 -0.0020 -0.0097 -0.0018 1752 PHE 118 N 0.0008 -0.0075 -0.0001 1753 PHE 118 CA 0.0006 -0.0070 -0.0002 1754 PHE 118 C 0.0004 -0.0043 -0.0008 1755 PHE 118 O 0.0017 -0.0028 -0.0009 1756 PHE 118 CB 0.0030 -0.0078 0.0003 1757 PHE 118 CG 0.0032 -0.0106 0.0009 1758 PHE 118 CD1 0.0021 -0.0118 0.0010 1759 PHE 118 CD2 0.0045 -0.0119 0.0013 1760 PHE 118 CE1 0.0023 -0.0143 0.0015 1761 PHE 118 CE2 0.0046 -0.0143 0.0018 1762 PHE 118 CZ 0.0036 -0.0156 0.0019 1763 PHE 118 H 0.0020 -0.0068 -0.0000 1764 PHE 118 HA -0.0008 -0.0079 -0.0002 1765 PHE 118 HB2 0.0044 -0.0072 0.0004 1766 PHE 118 HB3 0.0030 -0.0072 0.0002 1767 PHE 118 HD1 0.0013 -0.0110 0.0007 1768 PHE 118 HD2 0.0052 -0.0110 0.0013 1769 PHE 118 HE1 0.0016 -0.0151 0.0015 1770 PHE 118 HE2 0.0055 -0.0152 0.0021 1771 PHE 118 HZ 0.0037 -0.0173 0.0023 1772 VAL 119 N -0.0017 -0.0045 -0.0006 1773 VAL 119 CA -0.0016 -0.0027 -0.0019 1774 VAL 119 C -0.0002 -0.0020 -0.0018 1775 VAL 119 O -0.0003 -0.0027 -0.0013 1776 VAL 119 CB -0.0035 -0.0023 -0.0031 1777 VAL 119 CG1 -0.0047 -0.0030 -0.0032 1778 VAL 119 CG2 -0.0044 -0.0031 -0.0030 1779 VAL 119 H -0.0022 -0.0050 -0.0004 1780 VAL 119 HA -0.0010 -0.0022 -0.0020 1781 VAL 119 HB -0.0032 -0.0012 -0.0039 1782 VAL 119 HG11 -0.0059 -0.0028 -0.0039 1783 VAL 119 HG12 -0.0042 -0.0024 -0.0034 1784 VAL 119 HG13 -0.0048 -0.0041 -0.0023 1785 VAL 119 HG21 -0.0056 -0.0029 -0.0037 1786 VAL 119 HG22 -0.0045 -0.0042 -0.0021 1787 VAL 119 HG23 -0.0037 -0.0025 -0.0030 1788 ASP 120 N -0.0000 -0.0007 -0.0017 1789 ASP 120 CA 0.0016 0.0002 -0.0017 1790 ASP 120 C 0.0013 0.0012 -0.0033 1791 ASP 120 O 0.0014 0.0022 -0.0046 1792 ASP 120 CB 0.0031 0.0009 -0.0015 1793 ASP 120 CG 0.0048 0.0019 -0.0016 1794 ASP 120 OD1 0.0049 0.0021 -0.0018 1795 ASP 120 OD2 0.0060 0.0026 -0.0016 1796 ASP 120 H -0.0002 -0.0004 -0.0022 1797 ASP 120 HA 0.0019 -0.0002 -0.0008 1798 ASP 120 HB2 0.0033 0.0002 -0.0004 1799 ASP 120 HB3 0.0027 0.0013 -0.0023 1800 TYR 121 N 0.0023 0.0029 -0.0009 1801 TYR 121 CA 0.0032 0.0039 -0.0061 1802 TYR 121 C 0.0078 0.0068 -0.0082 1803 TYR 121 O 0.0088 0.0077 -0.0128 1804 TYR 121 CB 0.0031 0.0038 -0.0058 1805 TYR 121 CG 0.0070 0.0058 -0.0024 1806 TYR 121 CD1 0.0067 0.0051 0.0030 1807 TYR 121 CD2 0.0111 0.0083 -0.0048 1808 TYR 121 CE1 0.0103 0.0069 0.0060 1809 TYR 121 CE2 0.0146 0.0101 -0.0018 1810 TYR 121 CZ 0.0142 0.0094 0.0036 1811 TYR 121 OH 0.0179 0.0113 0.0065 1812 TYR 121 H 0.0026 0.0028 0.0017 1813 TYR 121 HA 0.0008 0.0027 -0.0086 1814 TYR 121 HB2 0.0033 0.0043 -0.0093 1815 TYR 121 HB3 0.0003 0.0020 -0.0042 1816 TYR 121 HD1 0.0040 0.0034 0.0046 1817 TYR 121 HD2 0.0113 0.0088 -0.0084 1818 TYR 121 HE1 0.0100 0.0064 0.0096 1819 TYR 121 HE2 0.0173 0.0119 -0.0033 1820 TYR 121 HH 0.0201 0.0128 0.0045 1821 ALA 122 N 0.0067 0.0052 -0.0030 1822 ALA 122 CA 0.0090 0.0071 -0.0039 1823 ALA 122 C 0.0085 0.0067 -0.0049 1824 ALA 122 O 0.0103 0.0082 -0.0056 1825 ALA 122 CB 0.0110 0.0086 -0.0012 1826 ALA 122 H 0.0063 0.0048 -0.0010 1827 ALA 122 HA 0.0097 0.0077 -0.0058 1828 ALA 122 HB1 0.0126 0.0099 -0.0019 1829 ALA 122 HB2 0.0111 0.0087 -0.0005 1830 ALA 122 HB3 0.0104 0.0081 0.0006 1831 ALA 123 N 0.0026 0.0031 -0.0042 1832 ALA 123 CA 0.0025 0.0034 -0.0050 1833 ALA 123 C 0.0008 0.0031 -0.0063 1834 ALA 123 O -0.0003 0.0025 -0.0060 1835 ALA 123 CB 0.0025 0.0029 -0.0036 1836 ALA 123 H 0.0016 0.0026 -0.0038 1837 ALA 123 HA 0.0034 0.0041 -0.0057 1838 ALA 123 HB1 0.0031 0.0033 -0.0041 1839 ALA 123 HB2 0.0032 0.0028 -0.0026 1840 ALA 123 HB3 0.0014 0.0024 -0.0035 1841 ILE 124 N -0.0046 0.0050 -0.0050 1842 ILE 124 CA -0.0050 0.0039 -0.0060 1843 ILE 124 C -0.0049 0.0038 -0.0064 1844 ILE 124 O -0.0044 0.0048 -0.0065 1845 ILE 124 CB -0.0046 0.0040 -0.0074 1846 ILE 124 CG1 -0.0047 0.0040 -0.0070 1847 ILE 124 CG2 -0.0049 0.0029 -0.0085 1848 ILE 124 CD1 -0.0041 0.0047 -0.0081 1849 ILE 124 H -0.0042 0.0057 -0.0053 1850 ILE 124 HA -0.0054 0.0031 -0.0056 1851 ILE 124 HB -0.0041 0.0048 -0.0078 1852 ILE 124 HG12 -0.0051 0.0031 -0.0070 1853 ILE 124 HG13 -0.0046 0.0045 -0.0061 1854 ILE 124 HG21 -0.0048 0.0028 -0.0093 1855 ILE 124 HG22 -0.0048 0.0030 -0.0089 1856 ILE 124 HG23 -0.0054 0.0020 -0.0080 1857 ILE 124 HD11 -0.0042 0.0047 -0.0077 1858 ILE 124 HD12 -0.0037 0.0056 -0.0081 1859 ILE 124 HD13 -0.0042 0.0042 -0.0090 1860 THR 125 N -0.0079 -0.0043 -0.0068 1861 THR 125 CA -0.0081 -0.0049 -0.0071 1862 THR 125 C -0.0076 -0.0049 -0.0062 1863 THR 125 O -0.0072 -0.0040 -0.0057 1864 THR 125 CB -0.0086 -0.0043 -0.0080 1865 THR 125 OG1 -0.0091 -0.0045 -0.0088 1866 THR 125 CG2 -0.0088 -0.0048 -0.0081 1867 THR 125 OXT -0.0076 -0.0058 -0.0060 1868 THR 125 H -0.0078 -0.0036 -0.0068 1869 THR 125 HA -0.0083 -0.0057 -0.0072 1870 THR 125 HB -0.0084 -0.0035 -0.0079 1871 THR 125 HG1 -0.0090 -0.0044 -0.0087 1872 THR 125 HG21 -0.0091 -0.0047 -0.0088 1873 THR 125 HG22 -0.0085 -0.0044 -0.0077 1874 THR 125 HG23 -0.0088 -0.0056 -0.0080