1 ALA 8 N 0.0233 0.0048 -0.0095 2 ALA 8 CA 0.0270 0.0009 -0.0057 3 ALA 8 C 0.0233 -0.0017 0.0002 4 ALA 8 O 0.0262 -0.0053 0.0040 5 ALA 8 CB 0.0313 0.0011 -0.0083 6 ALA 8 HA 0.0297 -0.0005 -0.0050 7 ALA 8 HB1 0.0337 -0.0015 -0.0057 8 ALA 8 HB2 0.0341 0.0023 -0.0117 9 ALA 8 HB3 0.0286 0.0028 -0.0093 10 ASP 9 N 0.0114 -0.0009 0.0008 11 ASP 9 CA 0.0079 -0.0040 0.0051 12 ASP 9 C 0.0032 -0.0014 0.0056 13 ASP 9 O -0.0011 0.0013 0.0057 14 ASP 9 CB 0.0059 -0.0059 0.0077 15 ASP 9 CG 0.0035 -0.0101 0.0123 16 ASP 9 OD1 0.0054 -0.0128 0.0135 17 ASP 9 OD2 -0.0002 -0.0107 0.0148 18 ASP 9 H 0.0098 0.0022 -0.0008 19 ASP 9 HA 0.0102 -0.0068 0.0061 20 ASP 9 HB2 0.0089 -0.0070 0.0070 21 ASP 9 HB3 0.0030 -0.0032 0.0071 22 PHE 10 N 0.0133 -0.0030 -0.0004 23 PHE 10 CA 0.0102 -0.0015 -0.0001 24 PHE 10 C 0.0058 -0.0050 0.0031 25 PHE 10 O 0.0068 -0.0098 0.0051 26 PHE 10 CB 0.0141 -0.0019 -0.0012 27 PHE 10 CG 0.0171 0.0028 -0.0045 28 PHE 10 CD1 0.0144 0.0074 -0.0057 29 PHE 10 CD2 0.0226 0.0025 -0.0063 30 PHE 10 CE1 0.0171 0.0117 -0.0087 31 PHE 10 CE2 0.0254 0.0068 -0.0093 32 PHE 10 CZ 0.0226 0.0114 -0.0105 33 PHE 10 H 0.0162 -0.0051 -0.0004 34 PHE 10 HA 0.0084 0.0021 -0.0011 35 PHE 10 HB2 0.0168 -0.0050 -0.0007 36 PHE 10 HB3 0.0120 -0.0023 -0.0003 37 PHE 10 HD1 0.0107 0.0077 -0.0046 38 PHE 10 HD2 0.0246 -0.0006 -0.0055 39 PHE 10 HE1 0.0152 0.0148 -0.0095 40 PHE 10 HE2 0.0291 0.0065 -0.0105 41 PHE 10 HZ 0.0244 0.0143 -0.0125 42 ILE 11 N 0.0004 -0.0022 0.0018 43 ILE 11 CA -0.0042 -0.0047 0.0046 44 ILE 11 C -0.0051 -0.0025 0.0044 45 ILE 11 O -0.0054 0.0026 0.0032 46 ILE 11 CB -0.0093 -0.0029 0.0065 47 ILE 11 CG1 -0.0086 -0.0049 0.0067 48 ILE 11 CG2 -0.0142 -0.0052 0.0094 49 ILE 11 CD1 -0.0078 -0.0112 0.0080 50 ILE 11 H 0.0000 0.0015 0.0010 51 ILE 11 HA -0.0035 -0.0088 0.0054 52 ILE 11 HB -0.0100 0.0013 0.0057 53 ILE 11 HG12 -0.0055 -0.0033 0.0048 54 ILE 11 HG13 -0.0118 -0.0035 0.0078 55 ILE 11 HG21 -0.0171 -0.0050 0.0107 56 ILE 11 HG22 -0.0153 -0.0028 0.0093 57 ILE 11 HG23 -0.0132 -0.0091 0.0099 58 ILE 11 HD11 -0.0075 -0.0122 0.0081 59 ILE 11 HD12 -0.0109 -0.0129 0.0098 60 ILE 11 HD13 -0.0045 -0.0127 0.0068 61 GLY 12 N -0.0029 -0.0007 -0.0001 62 GLY 12 CA -0.0041 -0.0003 0.0001 63 GLY 12 C -0.0093 0.0011 0.0008 64 GLY 12 O -0.0123 -0.0005 0.0020 65 GLY 12 H -0.0025 -0.0034 0.0007 66 GLY 12 HA2 -0.0022 0.0019 -0.0010 67 GLY 12 HA3 -0.0035 -0.0033 0.0009 68 ILE 13 N -0.0097 0.0056 -0.0057 69 ILE 13 CA -0.0119 0.0068 -0.0050 70 ILE 13 C -0.0125 0.0071 -0.0048 71 ILE 13 O -0.0142 0.0083 -0.0043 72 ILE 13 CB -0.0122 0.0091 -0.0054 73 ILE 13 CG1 -0.0107 0.0108 -0.0065 74 ILE 13 CG2 -0.0120 0.0086 -0.0054 75 ILE 13 CD1 -0.0113 0.0132 -0.0069 76 ILE 13 H -0.0087 0.0063 -0.0063 77 ILE 13 HA -0.0128 0.0057 -0.0043 78 ILE 13 HB -0.0137 0.0098 -0.0049 79 ILE 13 HG12 -0.0092 0.0103 -0.0071 80 ILE 13 HG13 -0.0107 0.0108 -0.0065 81 ILE 13 HG21 -0.0123 0.0100 -0.0056 82 ILE 13 HG22 -0.0130 0.0075 -0.0046 83 ILE 13 HG23 -0.0106 0.0079 -0.0059 84 ILE 13 HD11 -0.0103 0.0142 -0.0076 85 ILE 13 HD12 -0.0128 0.0137 -0.0063 86 ILE 13 HD13 -0.0112 0.0132 -0.0069 87 GLY 14 N -0.0104 0.0101 -0.0080 88 GLY 14 CA -0.0098 0.0086 -0.0082 89 GLY 14 C -0.0080 0.0082 -0.0073 90 GLY 14 O -0.0072 0.0091 -0.0065 91 GLY 14 H -0.0099 0.0101 -0.0077 92 GLY 14 HA2 -0.0102 0.0076 -0.0088 93 GLY 14 HA3 -0.0102 0.0089 -0.0083 94 LYS 15 N -0.0083 0.0083 -0.0102 95 LYS 15 CA -0.0070 0.0067 -0.0071 96 LYS 15 C -0.0070 0.0063 -0.0071 97 LYS 15 O -0.0084 0.0058 -0.0096 98 LYS 15 CB -0.0073 0.0029 -0.0065 99 LYS 15 CG -0.0070 0.0027 -0.0058 100 LYS 15 CD -0.0075 -0.0012 -0.0054 101 LYS 15 CE -0.0066 -0.0035 -0.0029 102 LYS 15 NZ -0.0070 -0.0073 -0.0026 103 LYS 15 H -0.0093 0.0068 -0.0116 104 LYS 15 HA -0.0058 0.0082 -0.0054 105 LYS 15 HB2 -0.0085 0.0015 -0.0083 106 LYS 15 HB3 -0.0065 0.0017 -0.0045 107 LYS 15 HG2 -0.0058 0.0039 -0.0039 108 LYS 15 HG3 -0.0077 0.0039 -0.0077 109 LYS 15 HD2 -0.0071 -0.0012 -0.0047 110 LYS 15 HD3 -0.0087 -0.0022 -0.0075 111 LYS 15 HE2 -0.0069 -0.0036 -0.0036 112 LYS 15 HE3 -0.0053 -0.0025 -0.0008 113 LYS 15 HZ1 -0.0082 -0.0082 -0.0045 114 LYS 15 HZ2 -0.0066 -0.0087 -0.0012 115 LYS 15 HZ3 -0.0066 -0.0074 -0.0018 116 LEU 16 N -0.0055 0.0063 -0.0066 117 LEU 16 CA -0.0056 0.0066 -0.0068 118 LEU 16 C -0.0070 0.0044 -0.0078 119 LEU 16 O -0.0078 0.0048 -0.0091 120 LEU 16 CB -0.0039 0.0067 -0.0046 121 LEU 16 CG -0.0038 0.0069 -0.0045 122 LEU 16 CD1 -0.0037 0.0095 -0.0056 123 LEU 16 CD2 -0.0022 0.0064 -0.0021 124 LEU 16 H -0.0046 0.0062 -0.0053 125 LEU 16 HA -0.0057 0.0082 -0.0078 126 LEU 16 HB2 -0.0030 0.0082 -0.0041 127 LEU 16 HB3 -0.0037 0.0052 -0.0035 128 LEU 16 HG -0.0048 0.0057 -0.0053 129 LEU 16 HD11 -0.0036 0.0095 -0.0055 130 LEU 16 HD12 -0.0047 0.0098 -0.0071 131 LEU 16 HD13 -0.0027 0.0108 -0.0048 132 LEU 16 HD21 -0.0022 0.0063 -0.0020 133 LEU 16 HD22 -0.0013 0.0077 -0.0013 134 LEU 16 HD23 -0.0023 0.0047 -0.0013 135 ASP 17 N -0.0056 0.0006 -0.0060 136 ASP 17 CA -0.0063 -0.0037 -0.0075 137 ASP 17 C -0.0081 -0.0040 -0.0122 138 ASP 17 O -0.0089 -0.0073 -0.0139 139 ASP 17 CB -0.0055 -0.0076 -0.0054 140 ASP 17 CG -0.0052 -0.0068 -0.0046 141 ASP 17 OD1 -0.0044 -0.0034 -0.0027 142 ASP 17 OD2 -0.0057 -0.0096 -0.0058 143 ASP 17 H -0.0052 0.0006 -0.0049 144 ASP 17 HA -0.0060 -0.0041 -0.0068 145 ASP 17 HB2 -0.0063 -0.0101 -0.0072 146 ASP 17 HB3 -0.0045 -0.0081 -0.0028 147 ASP 18 N -0.0071 -0.0003 -0.0129 148 ASP 18 CA -0.0087 -0.0001 -0.0157 149 ASP 18 C -0.0091 0.0012 -0.0157 150 ASP 18 O -0.0103 0.0010 -0.0180 151 ASP 18 CB -0.0102 0.0022 -0.0172 152 ASP 18 CG -0.0102 0.0011 -0.0177 153 ASP 18 OD1 -0.0094 -0.0017 -0.0177 154 ASP 18 OD2 -0.0110 0.0031 -0.0181 155 ASP 18 H -0.0071 0.0010 -0.0124 156 ASP 18 HA -0.0088 -0.0021 -0.0167 157 ASP 18 HB2 -0.0101 0.0042 -0.0160 158 ASP 18 HB3 -0.0113 0.0024 -0.0190 159 PHE 19 N -0.0066 0.0051 -0.0117 160 PHE 19 CA -0.0066 0.0054 -0.0110 161 PHE 19 C -0.0055 0.0038 -0.0099 162 PHE 19 O -0.0050 0.0034 -0.0085 163 PHE 19 CB -0.0074 0.0070 -0.0096 164 PHE 19 CG -0.0086 0.0086 -0.0107 165 PHE 19 CD1 -0.0092 0.0093 -0.0118 166 PHE 19 CD2 -0.0090 0.0093 -0.0106 167 PHE 19 CE1 -0.0102 0.0107 -0.0129 168 PHE 19 CE2 -0.0101 0.0108 -0.0117 169 PHE 19 CZ -0.0107 0.0114 -0.0128 170 PHE 19 H -0.0064 0.0051 -0.0107 171 PHE 19 HA -0.0069 0.0055 -0.0121 172 PHE 19 HB2 -0.0072 0.0070 -0.0085 173 PHE 19 HB3 -0.0074 0.0071 -0.0090 174 PHE 19 HD1 -0.0089 0.0088 -0.0119 175 PHE 19 HD2 -0.0086 0.0089 -0.0099 176 PHE 19 HE1 -0.0106 0.0111 -0.0137 177 PHE 19 HE2 -0.0104 0.0113 -0.0116 178 PHE 19 HZ -0.0114 0.0124 -0.0135 179 PRO 20 N -0.0029 0.0013 -0.0105 180 PRO 20 CA -0.0013 0.0001 -0.0093 181 PRO 20 C -0.0016 0.0002 -0.0070 182 PRO 20 O -0.0027 0.0009 -0.0062 183 PRO 20 CB -0.0001 -0.0006 -0.0102 184 PRO 20 CG -0.0009 0.0000 -0.0122 185 PRO 20 CD -0.0028 0.0013 -0.0119 186 PRO 20 HA -0.0008 -0.0002 -0.0096 187 PRO 20 HB2 -0.0001 -0.0007 -0.0092 188 PRO 20 HB3 0.0011 -0.0014 -0.0104 189 PRO 20 HG2 -0.0006 -0.0002 -0.0125 190 PRO 20 HG3 -0.0004 -0.0002 -0.0133 191 PRO 20 HD2 -0.0033 0.0016 -0.0112 192 PRO 20 HD3 -0.0034 0.0018 -0.0132 193 VAL 21 N -0.0005 -0.0007 -0.0062 194 VAL 21 CA -0.0001 0.0001 -0.0048 195 VAL 21 C -0.0005 0.0005 -0.0052 196 VAL 21 O -0.0004 -0.0006 -0.0060 197 VAL 21 CB 0.0011 -0.0010 -0.0035 198 VAL 21 CG1 0.0015 -0.0003 -0.0022 199 VAL 21 CG2 0.0014 -0.0010 -0.0029 200 VAL 21 H -0.0001 -0.0017 -0.0062 201 VAL 21 HA -0.0003 0.0011 -0.0044 202 VAL 21 HB 0.0013 -0.0021 -0.0040 203 VAL 21 HG11 0.0022 -0.0008 -0.0013 204 VAL 21 HG12 0.0015 -0.0006 -0.0026 205 VAL 21 HG13 0.0011 0.0009 -0.0020 206 VAL 21 HG21 0.0022 -0.0017 -0.0021 207 VAL 21 HG22 0.0012 0.0001 -0.0025 208 VAL 21 HG23 0.0012 -0.0015 -0.0038 209 GLY 22 N 0.0011 0.0001 -0.0035 210 GLY 22 CA 0.0018 -0.0008 -0.0018 211 GLY 22 C 0.0027 -0.0008 -0.0015 212 GLY 22 O 0.0034 -0.0015 -0.0000 213 GLY 22 H -0.0001 -0.0001 -0.0037 214 GLY 22 HA2 0.0008 -0.0014 -0.0011 215 GLY 22 HA3 0.0028 -0.0007 -0.0015 216 ILE 23 N 0.0002 -0.0030 -0.0017 217 ILE 23 CA -0.0007 -0.0031 -0.0018 218 ILE 23 C -0.0027 -0.0033 -0.0023 219 ILE 23 O -0.0031 -0.0040 -0.0036 220 ILE 23 CB 0.0002 -0.0037 -0.0032 221 ILE 23 CG1 0.0021 -0.0034 -0.0027 222 ILE 23 CG2 -0.0009 -0.0038 -0.0034 223 ILE 23 CD1 0.0031 -0.0039 -0.0036 224 ILE 23 H 0.0002 -0.0034 -0.0026 225 ILE 23 HA -0.0007 -0.0026 -0.0008 226 ILE 23 HB 0.0002 -0.0042 -0.0042 227 ILE 23 HG12 0.0022 -0.0029 -0.0015 228 ILE 23 HG13 0.0028 -0.0035 -0.0028 229 ILE 23 HG21 -0.0003 -0.0042 -0.0042 230 ILE 23 HG22 -0.0021 -0.0040 -0.0038 231 ILE 23 HG23 -0.0010 -0.0033 -0.0024 232 ILE 23 HD11 0.0044 -0.0037 -0.0034 233 ILE 23 HD12 0.0029 -0.0044 -0.0048 234 ILE 23 HD13 0.0026 -0.0037 -0.0033 235 PRO 24 N 0.0004 -0.0066 0.0019 236 PRO 24 CA -0.0009 -0.0048 0.0012 237 PRO 24 C 0.0007 -0.0027 -0.0013 238 PRO 24 O 0.0034 -0.0033 -0.0022 239 PRO 24 CB -0.0004 -0.0066 0.0023 240 PRO 24 CG -0.0004 -0.0092 0.0042 241 PRO 24 CD 0.0013 -0.0093 0.0035 242 PRO 24 HA -0.0029 -0.0040 0.0016 243 PRO 24 HB2 0.0013 -0.0066 0.0014 244 PRO 24 HB3 -0.0021 -0.0060 0.0027 245 PRO 24 HG2 0.0007 -0.0106 0.0047 246 PRO 24 HG3 -0.0023 -0.0093 0.0054 247 PRO 24 HD2 0.0034 -0.0099 0.0028 248 PRO 24 HD3 0.0008 -0.0105 0.0046 249 LYS 25 N -0.0042 0.0041 -0.0075 250 LYS 25 CA -0.0040 0.0050 -0.0093 251 LYS 25 C -0.0047 0.0069 -0.0098 252 LYS 25 O -0.0056 0.0079 -0.0085 253 LYS 25 CB -0.0040 0.0051 -0.0093 254 LYS 25 CG -0.0032 0.0033 -0.0093 255 LYS 25 CD -0.0022 0.0024 -0.0111 256 LYS 25 CE -0.0013 0.0003 -0.0109 257 LYS 25 NZ -0.0006 -0.0001 -0.0122 258 LYS 25 H -0.0048 0.0048 -0.0066 259 LYS 25 HA -0.0033 0.0043 -0.0103 260 LYS 25 HB2 -0.0047 0.0057 -0.0082 261 LYS 25 HB3 -0.0040 0.0059 -0.0104 262 LYS 25 HG2 -0.0032 0.0025 -0.0082 263 LYS 25 HG3 -0.0033 0.0035 -0.0092 264 LYS 25 HD2 -0.0021 0.0030 -0.0121 265 LYS 25 HD3 -0.0021 0.0026 -0.0114 266 LYS 25 HE2 -0.0009 -0.0003 -0.0111 267 LYS 25 HE3 -0.0016 -0.0001 -0.0096 268 LYS 25 HZ1 -0.0001 -0.0014 -0.0121 269 LYS 25 HZ2 -0.0009 0.0004 -0.0121 270 LYS 25 HZ3 -0.0003 0.0002 -0.0134 271 LYS 26 N -0.0043 0.0072 -0.0095 272 LYS 26 CA -0.0055 0.0080 -0.0097 273 LYS 26 C -0.0063 0.0117 -0.0121 274 LYS 26 O -0.0039 0.0134 -0.0139 275 LYS 26 CB -0.0021 0.0065 -0.0095 276 LYS 26 CG -0.0028 0.0064 -0.0092 277 LYS 26 CD -0.0000 0.0037 -0.0080 278 LYS 26 CE 0.0043 0.0035 -0.0089 279 LYS 26 NZ 0.0069 0.0024 -0.0087 280 LYS 26 H -0.0019 0.0074 -0.0101 281 LYS 26 HA -0.0078 0.0072 -0.0086 282 LYS 26 HB2 -0.0014 0.0043 -0.0081 283 LYS 26 HB3 0.0000 0.0077 -0.0108 284 LYS 26 HG2 -0.0025 0.0085 -0.0108 285 LYS 26 HG3 -0.0054 0.0060 -0.0083 286 LYS 26 HD2 -0.0001 0.0041 -0.0083 287 LYS 26 HD3 -0.0009 0.0017 -0.0064 288 LYS 26 HE2 0.0047 0.0020 -0.0079 289 LYS 26 HE3 0.0048 0.0056 -0.0105 290 LYS 26 HZ1 0.0057 0.0010 -0.0075 291 LYS 26 HZ2 0.0090 0.0013 -0.0084 292 LYS 26 HZ3 0.0074 0.0041 -0.0100 293 VAL 27 N -0.0115 0.0107 -0.0096 294 VAL 27 CA -0.0123 0.0109 -0.0113 295 VAL 27 C -0.0142 0.0111 -0.0112 296 VAL 27 O -0.0150 0.0110 -0.0098 297 VAL 27 CB -0.0122 0.0110 -0.0121 298 VAL 27 CG1 -0.0102 0.0109 -0.0123 299 VAL 27 CG2 -0.0131 0.0110 -0.0110 300 VAL 27 H -0.0121 0.0106 -0.0088 301 VAL 27 HA -0.0117 0.0110 -0.0120 302 VAL 27 HB -0.0127 0.0112 -0.0133 303 VAL 27 HG11 -0.0102 0.0110 -0.0129 304 VAL 27 HG12 -0.0096 0.0109 -0.0130 305 VAL 27 HG13 -0.0097 0.0107 -0.0112 306 VAL 27 HG21 -0.0129 0.0110 -0.0114 307 VAL 27 HG22 -0.0128 0.0108 -0.0098 308 VAL 27 HG23 -0.0144 0.0111 -0.0111 309 ALA 28 N -0.0219 0.0051 -0.0048 310 ALA 28 CA -0.0238 0.0029 -0.0046 311 ALA 28 C -0.0212 0.0017 -0.0065 312 ALA 28 O -0.0182 0.0010 -0.0084 313 ALA 28 CB -0.0262 -0.0007 -0.0047 314 ALA 28 H -0.0220 0.0038 -0.0052 315 ALA 28 HA -0.0253 0.0045 -0.0031 316 ALA 28 HB1 -0.0274 -0.0022 -0.0046 317 ALA 28 HB2 -0.0279 -0.0000 -0.0035 318 ALA 28 HB3 -0.0246 -0.0023 -0.0062 319 VAL 29 N -0.0264 0.0009 -0.0047 320 VAL 29 CA -0.0232 0.0000 -0.0051 321 VAL 29 C -0.0249 -0.0022 -0.0049 322 VAL 29 O -0.0272 -0.0007 -0.0046 323 VAL 29 CB -0.0212 0.0036 -0.0053 324 VAL 29 CG1 -0.0177 0.0025 -0.0058 325 VAL 29 CG2 -0.0199 0.0061 -0.0054 326 VAL 29 H -0.0282 0.0022 -0.0044 327 VAL 29 HA -0.0213 -0.0015 -0.0054 328 VAL 29 HB -0.0230 0.0051 -0.0050 329 VAL 29 HG11 -0.0162 0.0048 -0.0059 330 VAL 29 HG12 -0.0186 0.0013 -0.0057 331 VAL 29 HG13 -0.0161 0.0007 -0.0060 332 VAL 29 HG21 -0.0185 0.0083 -0.0056 333 VAL 29 HG22 -0.0184 0.0046 -0.0056 334 VAL 29 HG23 -0.0222 0.0071 -0.0051 335 THR 30 N -0.0272 -0.0120 0.0057 336 THR 30 CA -0.0272 -0.0132 0.0065 337 THR 30 C -0.0219 -0.0132 0.0090 338 THR 30 O -0.0199 -0.0162 0.0120 339 THR 30 CB -0.0309 -0.0179 0.0080 340 THR 30 OG1 -0.0297 -0.0212 0.0109 341 THR 30 CG2 -0.0363 -0.0176 0.0053 342 THR 30 H -0.0258 -0.0136 0.0074 343 THR 30 HA -0.0283 -0.0109 0.0044 344 THR 30 HB -0.0306 -0.0188 0.0088 345 THR 30 HG1 -0.0269 -0.0217 0.0125 346 THR 30 HG21 -0.0386 -0.0205 0.0062 347 THR 30 HG22 -0.0371 -0.0151 0.0032 348 THR 30 HG23 -0.0368 -0.0171 0.0047 349 SER 31 N -0.0202 -0.0200 0.0130 350 SER 31 CA -0.0168 -0.0179 0.0163 351 SER 31 C -0.0168 -0.0186 0.0171 352 SER 31 O -0.0187 -0.0187 0.0140 353 SER 31 CB -0.0145 -0.0130 0.0147 354 SER 31 OG -0.0112 -0.0108 0.0177 355 SER 31 H -0.0207 -0.0183 0.0103 356 SER 31 HA -0.0159 -0.0191 0.0191 357 SER 31 HB2 -0.0143 -0.0125 0.0145 358 SER 31 HB3 -0.0155 -0.0118 0.0118 359 SER 31 HG -0.0100 -0.0081 0.0168 360 SER 32 N -0.0171 -0.0242 0.0245 361 SER 32 CA -0.0141 -0.0236 0.0298 362 SER 32 C -0.0048 -0.0084 0.0237 363 SER 32 O -0.0038 -0.0070 0.0234 364 SER 32 CB -0.0092 -0.0288 0.0489 365 SER 32 OG 0.0003 -0.0216 0.0567 366 SER 32 H -0.0141 -0.0251 0.0323 367 SER 32 HA -0.0214 -0.0300 0.0252 368 SER 32 HB2 -0.0060 -0.0270 0.0524 369 SER 32 HB3 -0.0158 -0.0392 0.0524 370 SER 32 HG 0.0025 -0.0250 0.0671 371 LYS 33 N -0.0078 -0.0006 0.0279 372 LYS 33 CA -0.0029 0.0028 0.0267 373 LYS 33 C -0.0034 0.0038 0.0227 374 LYS 33 O -0.0071 0.0027 0.0188 375 LYS 33 CB -0.0002 0.0053 0.0243 376 LYS 33 CG 0.0017 0.0051 0.0287 377 LYS 33 CD 0.0026 0.0065 0.0260 378 LYS 33 CE 0.0054 0.0068 0.0304 379 LYS 33 NZ 0.0043 0.0067 0.0288 380 LYS 33 H -0.0088 -0.0007 0.0264 381 LYS 33 HA -0.0008 0.0030 0.0302 382 LYS 33 HB2 -0.0026 0.0047 0.0213 383 LYS 33 HB3 0.0027 0.0076 0.0228 384 LYS 33 HG2 0.0049 0.0063 0.0309 385 LYS 33 HG3 -0.0008 0.0027 0.0312 386 LYS 33 HD2 -0.0006 0.0050 0.0244 387 LYS 33 HD3 0.0047 0.0087 0.0231 388 LYS 33 HE2 0.0090 0.0090 0.0307 389 LYS 33 HE3 0.0043 0.0050 0.0341 390 LYS 33 HZ1 0.0060 0.0068 0.0315 391 LYS 33 HZ2 0.0010 0.0047 0.0285 392 LYS 33 HZ3 0.0054 0.0083 0.0256 393 MET 34 N -0.0111 0.0420 -0.0077 394 MET 34 CA -0.0006 0.0457 -0.0218 395 MET 34 C -0.0089 0.0499 -0.0175 396 MET 34 O -0.0027 0.0561 -0.0296 397 MET 34 CB 0.0021 0.0618 -0.0398 398 MET 34 CG 0.0135 0.0576 -0.0472 399 MET 34 SD 0.0375 0.0472 -0.0612 400 MET 34 CE 0.0436 0.0233 -0.0445 401 MET 34 H -0.0218 0.0511 -0.0057 402 MET 34 HA 0.0112 0.0347 -0.0230 403 MET 34 HB2 -0.0096 0.0723 -0.0381 404 MET 34 HB3 0.0081 0.0649 -0.0488 405 MET 34 HG2 0.0116 0.0491 -0.0372 406 MET 34 HG3 0.0099 0.0691 -0.0545 407 MET 34 HE1 0.0566 0.0157 -0.0502 408 MET 34 HE2 0.0406 0.0213 -0.0396 409 MET 34 HE3 0.0370 0.0202 -0.0350 410 ASP 35 N -0.0119 0.0402 0.0014 411 ASP 35 CA -0.0153 0.0400 0.0044 412 ASP 35 C -0.0067 0.0290 0.0055 413 ASP 35 O -0.0001 0.0201 0.0068 414 ASP 35 CB -0.0273 0.0398 0.0144 415 ASP 35 CG -0.0278 0.0290 0.0230 416 ASP 35 OD1 -0.0276 0.0286 0.0232 417 ASP 35 OD2 -0.0279 0.0205 0.0294 418 ASP 35 H -0.0160 0.0384 0.0063 419 ASP 35 HA -0.0154 0.0471 -0.0008 420 ASP 35 HB2 -0.0295 0.0399 0.0162 421 ASP 35 HB3 -0.0326 0.0468 0.0136 422 ALA 36 N 0.0056 0.0247 0.0114 423 ALA 36 CA 0.0172 0.0128 0.0093 424 ALA 36 C 0.0106 -0.0010 0.0093 425 ALA 36 O 0.0175 -0.0061 0.0081 426 ALA 36 CB 0.0245 0.0076 0.0082 427 ALA 36 H 0.0048 0.0270 0.0117 428 ALA 36 HA 0.0252 0.0174 0.0087 429 ALA 36 HB1 0.0321 -0.0003 0.0068 430 ALA 36 HB2 0.0293 0.0165 0.0082 431 ALA 36 HB3 0.0164 0.0034 0.0088 432 TRP 37 N 0.0005 -0.0063 0.0123 433 TRP 37 CA -0.0013 -0.0102 0.0122 434 TRP 37 C -0.0025 -0.0098 0.0126 435 TRP 37 O -0.0018 -0.0127 0.0121 436 TRP 37 CB -0.0051 -0.0113 0.0130 437 TRP 37 CG -0.0072 -0.0154 0.0131 438 TRP 37 CD1 -0.0064 -0.0192 0.0124 439 TRP 37 CD2 -0.0102 -0.0160 0.0137 440 TRP 37 NE1 -0.0088 -0.0222 0.0127 441 TRP 37 CE2 -0.0112 -0.0203 0.0135 442 TRP 37 CE3 -0.0123 -0.0133 0.0145 443 TRP 37 CZ2 -0.0140 -0.0219 0.0140 444 TRP 37 CZ3 -0.0152 -0.0150 0.0150 445 TRP 37 CH2 -0.0160 -0.0193 0.0147 446 TRP 37 H -0.0008 -0.0052 0.0127 447 TRP 37 HA 0.0007 -0.0123 0.0115 448 TRP 37 HB2 -0.0044 -0.0116 0.0128 449 TRP 37 HB3 -0.0071 -0.0091 0.0137 450 TRP 37 HD1 -0.0045 -0.0198 0.0119 451 TRP 37 HE1 -0.0087 -0.0248 0.0124 452 TRP 37 HE3 -0.0118 -0.0105 0.0147 453 TRP 37 HZ2 -0.0146 -0.0248 0.0138 454 TRP 37 HZ3 -0.0166 -0.0133 0.0155 455 TRP 37 HH2 -0.0179 -0.0203 0.0151 456 ASN 38 N -0.0044 -0.0036 0.0161 457 ASN 38 CA -0.0053 -0.0064 0.0170 458 ASN 38 C -0.0009 -0.0077 0.0127 459 ASN 38 O -0.0006 -0.0125 0.0124 460 ASN 38 CB -0.0084 -0.0022 0.0201 461 ASN 38 CG -0.0133 -0.0038 0.0250 462 ASN 38 OD1 -0.0149 -0.0089 0.0265 463 ASN 38 ND2 -0.0159 0.0005 0.0274 464 ASN 38 H -0.0052 0.0003 0.0169 465 ASN 38 HA -0.0068 -0.0104 0.0185 466 ASN 38 HB2 -0.0080 0.0022 0.0196 467 ASN 38 HB3 -0.0077 -0.0027 0.0194 468 ASN 38 HD21 -0.0187 -0.0002 0.0302 469 ASN 38 HD22 -0.0147 0.0040 0.0262 470 ILE 39 N 0.0017 -0.0001 0.0142 471 ILE 39 CA 0.0102 0.0007 0.0122 472 ILE 39 C 0.0140 -0.0101 0.0092 473 ILE 39 O 0.0158 -0.0131 0.0081 474 ILE 39 CB 0.0190 0.0080 0.0116 475 ILE 39 CG1 0.0154 0.0190 0.0147 476 ILE 39 CG2 0.0280 0.0078 0.0093 477 ILE 39 CD1 0.0232 0.0263 0.0142 478 ILE 39 H 0.0028 0.0031 0.0145 479 ILE 39 HA 0.0078 0.0036 0.0134 480 ILE 39 HB 0.0212 0.0057 0.0106 481 ILE 39 HG12 0.0144 0.0220 0.0155 482 ILE 39 HG13 0.0090 0.0188 0.0162 483 ILE 39 HG21 0.0331 0.0133 0.0092 484 ILE 39 HG22 0.0312 0.0011 0.0072 485 ILE 39 HG23 0.0255 0.0088 0.0102 486 ILE 39 HD11 0.0202 0.0329 0.0163 487 ILE 39 HD12 0.0249 0.0231 0.0132 488 ILE 39 HD13 0.0294 0.0272 0.0129 489 PHE 40 N 0.0081 -0.0123 0.0061 490 PHE 40 CA 0.0096 -0.0201 -0.0012 491 PHE 40 C 0.0001 -0.0259 -0.0030 492 PHE 40 O -0.0011 -0.0304 -0.0064 493 PHE 40 CB 0.0150 -0.0221 -0.0047 494 PHE 40 CG 0.0164 -0.0301 -0.0120 495 PHE 40 CD1 0.0244 -0.0318 -0.0162 496 PHE 40 CD2 0.0099 -0.0359 -0.0148 497 PHE 40 CE1 0.0257 -0.0392 -0.0230 498 PHE 40 CE2 0.0113 -0.0432 -0.0215 499 PHE 40 CZ 0.0194 -0.0447 -0.0256 500 PHE 40 H 0.0102 -0.0105 0.0069 501 PHE 40 HA 0.0134 -0.0203 -0.0026 502 PHE 40 HB2 0.0214 -0.0187 -0.0039 503 PHE 40 HB3 0.0114 -0.0215 -0.0029 504 PHE 40 HD1 0.0289 -0.0279 -0.0144 505 PHE 40 HD2 0.0046 -0.0347 -0.0120 506 PHE 40 HE1 0.0310 -0.0405 -0.0259 507 PHE 40 HE2 0.0068 -0.0471 -0.0234 508 PHE 40 HZ 0.0206 -0.0497 -0.0303 509 GLU 41 N -0.0058 -0.0237 -0.0012 510 GLU 41 CA -0.0095 -0.0261 -0.0017 511 GLU 41 C -0.0131 -0.0276 -0.0001 512 GLU 41 O -0.0161 -0.0299 -0.0017 513 GLU 41 CB -0.0100 -0.0255 0.0006 514 GLU 41 CG -0.0117 -0.0275 -0.0020 515 GLU 41 CD -0.0088 -0.0274 -0.0062 516 GLU 41 OE1 -0.0053 -0.0256 -0.0068 517 GLU 41 OE2 -0.0101 -0.0291 -0.0088 518 GLU 41 H -0.0045 -0.0223 0.0005 519 GLU 41 HA -0.0095 -0.0273 -0.0048 520 GLU 41 HB2 -0.0074 -0.0238 0.0011 521 GLU 41 HB3 -0.0119 -0.0256 0.0033 522 GLU 41 HG2 -0.0121 -0.0271 -0.0002 523 GLU 41 HG3 -0.0141 -0.0292 -0.0028 524 GLY 42 N -0.0120 -0.0290 0.0022 525 GLY 42 CA -0.0164 -0.0320 0.0040 526 GLY 42 C -0.0197 -0.0329 0.0002 527 GLY 42 O -0.0238 -0.0352 0.0002 528 GLY 42 H -0.0097 -0.0281 0.0038 529 GLY 42 HA2 -0.0178 -0.0330 0.0047 530 GLY 42 HA3 -0.0158 -0.0324 0.0071 531 LEU 43 N -0.0163 -0.0371 -0.0018 532 LEU 43 CA -0.0219 -0.0398 -0.0129 533 LEU 43 C -0.0248 -0.0403 -0.0211 534 LEU 43 O -0.0314 -0.0455 -0.0285 535 LEU 43 CB -0.0177 -0.0329 -0.0192 536 LEU 43 CG -0.0155 -0.0326 -0.0128 537 LEU 43 CD1 -0.0092 -0.0237 -0.0179 538 LEU 43 CD2 -0.0234 -0.0410 -0.0142 539 LEU 43 H -0.0112 -0.0313 -0.0016 540 LEU 43 HA -0.0268 -0.0459 -0.0111 541 LEU 43 HB2 -0.0126 -0.0268 -0.0202 542 LEU 43 HB3 -0.0213 -0.0345 -0.0268 543 LEU 43 HG -0.0132 -0.0327 -0.0045 544 LEU 43 HD11 -0.0080 -0.0237 -0.0138 545 LEU 43 HD12 -0.0043 -0.0185 -0.0166 546 LEU 43 HD13 -0.0114 -0.0235 -0.0263 547 LEU 43 HD21 -0.0219 -0.0407 -0.0103 548 LEU 43 HD22 -0.0258 -0.0410 -0.0226 549 LEU 43 HD23 -0.0273 -0.0466 -0.0106 550 VAL 44 N -0.0207 -0.0318 -0.0120 551 VAL 44 CA -0.0213 -0.0286 -0.0145 552 VAL 44 C -0.0207 -0.0276 -0.0156 553 VAL 44 O -0.0229 -0.0255 -0.0168 554 VAL 44 CB -0.0190 -0.0273 -0.0163 555 VAL 44 CG1 -0.0150 -0.0288 -0.0161 556 VAL 44 CG2 -0.0192 -0.0240 -0.0191 557 VAL 44 H -0.0184 -0.0326 -0.0119 558 VAL 44 HA -0.0239 -0.0279 -0.0145 559 VAL 44 HB -0.0199 -0.0275 -0.0159 560 VAL 44 HG11 -0.0134 -0.0274 -0.0177 561 VAL 44 HG12 -0.0146 -0.0303 -0.0149 562 VAL 44 HG13 -0.0145 -0.0297 -0.0154 563 VAL 44 HG21 -0.0183 -0.0231 -0.0201 564 VAL 44 HG22 -0.0176 -0.0238 -0.0197 565 VAL 44 HG23 -0.0217 -0.0232 -0.0191 566 VAL 44 N -0.0206 -0.0318 -0.0120 567 VAL 44 CA -0.0212 -0.0287 -0.0145 568 VAL 44 C -0.0205 -0.0275 -0.0157 569 VAL 44 O -0.0222 -0.0251 -0.0173 570 VAL 44 CB -0.0189 -0.0274 -0.0162 571 VAL 44 CG1 -0.0201 -0.0281 -0.0153 572 VAL 44 CG2 -0.0148 -0.0283 -0.0165 573 VAL 44 H -0.0184 -0.0326 -0.0119 574 VAL 44 HA -0.0238 -0.0280 -0.0144 575 VAL 44 HB -0.0194 -0.0253 -0.0179 576 VAL 44 HG11 -0.0207 -0.0263 -0.0167 577 VAL 44 HG12 -0.0223 -0.0290 -0.0139 578 VAL 44 HG13 -0.0181 -0.0294 -0.0147 579 VAL 44 HG21 -0.0135 -0.0282 -0.0169 580 VAL 44 HG22 -0.0144 -0.0303 -0.0149 581 VAL 44 HG23 -0.0139 -0.0270 -0.0178 582 MET 45 N -0.0200 -0.0167 -0.0108 583 MET 45 CA -0.0160 -0.0152 -0.0118 584 MET 45 C -0.0143 -0.0184 -0.0132 585 MET 45 O -0.0112 -0.0199 -0.0147 586 MET 45 CB -0.0131 -0.0144 -0.0126 587 MET 45 CG -0.0142 -0.0111 -0.0114 588 MET 45 SD -0.0128 -0.0059 -0.0106 589 MET 45 CE -0.0075 -0.0055 -0.0123 590 MET 45 H -0.0200 -0.0188 -0.0114 591 MET 45 HA -0.0163 -0.0127 -0.0111 592 MET 45 HB2 -0.0130 -0.0169 -0.0133 593 MET 45 HB3 -0.0105 -0.0135 -0.0133 594 MET 45 HG2 -0.0171 -0.0114 -0.0105 595 MET 45 HG3 -0.0130 -0.0116 -0.0120 596 MET 45 HE1 -0.0065 -0.0027 -0.0120 597 MET 45 HE2 -0.0068 -0.0063 -0.0127 598 MET 45 HE3 -0.0064 -0.0074 -0.0132 599 GLY 46 N -0.0215 -0.0157 -0.0124 600 GLY 46 CA -0.0224 -0.0131 -0.0106 601 GLY 46 C -0.0252 -0.0081 -0.0114 602 GLY 46 O -0.0261 -0.0055 -0.0094 603 GLY 46 H -0.0213 -0.0152 -0.0105 604 GLY 46 HA2 -0.0221 -0.0146 -0.0123 605 GLY 46 HA3 -0.0214 -0.0133 -0.0070 606 SER 47 N -0.0158 0.0019 -0.0122 607 SER 47 CA -0.0151 0.0033 -0.0125 608 SER 47 C -0.0152 0.0033 -0.0126 609 SER 47 O -0.0155 0.0023 -0.0120 610 SER 47 CB -0.0141 0.0041 -0.0113 611 SER 47 OG -0.0140 0.0033 -0.0099 612 SER 47 H -0.0160 0.0014 -0.0117 613 SER 47 HA -0.0152 0.0037 -0.0134 614 SER 47 HB2 -0.0136 0.0049 -0.0115 615 SER 47 HB3 -0.0140 0.0042 -0.0114 616 SER 47 HG -0.0138 0.0033 -0.0093 617 VAL 48 N -0.0110 0.0097 -0.0087 618 VAL 48 CA -0.0112 0.0095 -0.0085 619 VAL 48 C -0.0108 0.0096 -0.0085 620 VAL 48 O -0.0105 0.0100 -0.0087 621 VAL 48 CB -0.0118 0.0095 -0.0087 622 VAL 48 CG1 -0.0122 0.0094 -0.0087 623 VAL 48 CG2 -0.0118 0.0100 -0.0091 624 VAL 48 H -0.0109 0.0100 -0.0088 625 VAL 48 HA -0.0112 0.0092 -0.0083 626 VAL 48 HB -0.0119 0.0094 -0.0086 627 VAL 48 HG11 -0.0125 0.0094 -0.0089 628 VAL 48 HG12 -0.0122 0.0090 -0.0085 629 VAL 48 HG13 -0.0121 0.0095 -0.0088 630 VAL 48 HG21 -0.0121 0.0101 -0.0093 631 VAL 48 HG22 -0.0116 0.0102 -0.0092 632 VAL 48 HG23 -0.0115 0.0101 -0.0091 633 TRP 49 N -0.0050 0.0036 -0.0032 634 TRP 49 CA -0.0048 0.0030 -0.0030 635 TRP 49 C -0.0070 0.0034 -0.0028 636 TRP 49 O -0.0086 0.0027 -0.0023 637 TRP 49 CB -0.0042 0.0007 -0.0024 638 TRP 49 CG -0.0018 0.0002 -0.0026 639 TRP 49 CD1 -0.0009 -0.0009 -0.0024 640 TRP 49 CD2 -0.0001 0.0006 -0.0030 641 TRP 49 NE1 0.0013 -0.0011 -0.0027 642 TRP 49 CE2 0.0018 -0.0002 -0.0030 643 TRP 49 CE3 0.0000 0.0016 -0.0033 644 TRP 49 CZ2 0.0038 0.0000 -0.0034 645 TRP 49 CZ3 0.0020 0.0018 -0.0037 646 TRP 49 CH2 0.0039 0.0010 -0.0037 647 TRP 49 H -0.0054 0.0026 -0.0028 648 TRP 49 HA -0.0037 0.0038 -0.0034 649 TRP 49 HB2 -0.0050 -0.0001 -0.0020 650 TRP 49 HB3 -0.0045 0.0003 -0.0022 651 TRP 49 HD1 -0.0017 -0.0015 -0.0021 652 TRP 49 HE1 0.0021 -0.0016 -0.0026 653 TRP 49 HE3 -0.0012 0.0022 -0.0033 654 TRP 49 HZ2 0.0051 -0.0005 -0.0034 655 TRP 49 HZ3 0.0021 0.0025 -0.0039 656 TRP 49 HH2 0.0052 0.0011 -0.0040 657 VAL 50 N -0.0066 0.0100 -0.0067 658 VAL 50 CA -0.0072 0.0102 -0.0065 659 VAL 50 C -0.0056 0.0091 -0.0057 660 VAL 50 O -0.0039 0.0088 -0.0064 661 VAL 50 CB -0.0073 0.0113 -0.0084 662 VAL 50 CG1 -0.0080 0.0114 -0.0081 663 VAL 50 CG2 -0.0088 0.0123 -0.0093 664 VAL 50 H -0.0055 0.0101 -0.0075 665 VAL 50 HA -0.0084 0.0102 -0.0057 666 VAL 50 HB -0.0061 0.0112 -0.0092 667 VAL 50 HG11 -0.0084 0.0122 -0.0093 668 VAL 50 HG12 -0.0070 0.0108 -0.0078 669 VAL 50 HG13 -0.0091 0.0113 -0.0071 670 VAL 50 HG21 -0.0089 0.0130 -0.0105 671 VAL 50 HG22 -0.0100 0.0124 -0.0085 672 VAL 50 HG23 -0.0082 0.0123 -0.0096 673 ILE 51 N -0.0001 0.0074 -0.0038 674 ILE 51 CA 0.0010 0.0056 -0.0027 675 ILE 51 C -0.0018 0.0064 -0.0026 676 ILE 51 O -0.0048 0.0055 -0.0013 677 ILE 51 CB 0.0014 0.0022 -0.0004 678 ILE 51 CG1 0.0035 0.0013 -0.0003 679 ILE 51 CG2 0.0032 0.0005 0.0004 680 ILE 51 CD1 0.0012 0.0005 0.0009 681 ILE 51 H -0.0022 0.0073 -0.0032 682 ILE 51 HA 0.0032 0.0060 -0.0037 683 ILE 51 HB -0.0010 0.0017 0.0005 684 ILE 51 HG12 0.0053 -0.0004 0.0004 685 ILE 51 HG13 0.0047 0.0030 -0.0018 686 ILE 51 HG21 0.0034 -0.0016 0.0018 687 ILE 51 HG22 0.0018 0.0009 0.0004 688 ILE 51 HG23 0.0056 0.0011 -0.0007 689 ILE 51 HD11 0.0028 -0.0000 0.0008 690 ILE 51 HD12 -0.0006 0.0022 0.0001 691 ILE 51 HD13 0.0001 -0.0012 0.0024 692 ARG 52 N -0.0038 0.0087 -0.0058 693 ARG 52 CA -0.0027 0.0080 -0.0044 694 ARG 52 C -0.0018 0.0074 -0.0031 695 ARG 52 O -0.0017 0.0066 -0.0037 696 ARG 52 CB -0.0024 0.0063 -0.0053 697 ARG 52 CG -0.0013 0.0054 -0.0041 698 ARG 52 CD -0.0011 0.0036 -0.0052 699 ARG 52 NE -0.0000 0.0025 -0.0042 700 ARG 52 CZ 0.0004 0.0010 -0.0049 701 ARG 52 NH1 -0.0002 0.0003 -0.0067 702 ARG 52 NH2 0.0013 0.0001 -0.0039 703 ARG 52 H -0.0039 0.0080 -0.0068 704 ARG 52 HA -0.0028 0.0089 -0.0037 705 ARG 52 HB2 -0.0030 0.0067 -0.0061 706 ARG 52 HB3 -0.0023 0.0054 -0.0060 707 ARG 52 HG2 -0.0006 0.0050 -0.0031 708 ARG 52 HG3 -0.0014 0.0062 -0.0035 709 ARG 52 HD2 -0.0017 0.0040 -0.0062 710 ARG 52 HD3 -0.0010 0.0029 -0.0058 711 ARG 52 HE 0.0004 0.0030 -0.0031 712 ARG 52 HH11 -0.0009 0.0008 -0.0074 713 ARG 52 HH12 0.0000 -0.0008 -0.0071 714 ARG 52 HH21 0.0017 0.0005 -0.0027 715 ARG 52 HH22 0.0016 -0.0010 -0.0043 716 GLN 53 N 0.0048 0.0095 -0.0005 717 GLN 53 CA 0.0053 0.0087 0.0010 718 GLN 53 C 0.0062 0.0086 0.0005 719 GLN 53 O 0.0060 0.0092 -0.0009 720 GLN 53 CB 0.0038 0.0087 0.0023 721 GLN 53 CG 0.0026 0.0091 0.0025 722 GLN 53 CD 0.0034 0.0084 0.0033 723 GLN 53 OE1 0.0042 0.0077 0.0045 724 GLN 53 NE2 0.0032 0.0088 0.0027 725 GLN 53 H 0.0038 0.0099 -0.0007 726 GLN 53 HA 0.0061 0.0082 0.0014 727 GLN 53 HB2 0.0031 0.0091 0.0020 728 GLN 53 HB3 0.0042 0.0081 0.0034 729 GLN 53 HG2 0.0023 0.0096 0.0014 730 GLN 53 HG3 0.0015 0.0092 0.0032 731 GLN 53 HE21 0.0027 0.0093 0.0018 732 GLN 53 HE22 0.0037 0.0084 0.0031 733 LYS 54 N 0.0103 0.0107 0.0007 734 LYS 54 CA 0.0111 0.0030 0.0057 735 LYS 54 C 0.0185 0.0021 0.0133 736 LYS 54 O 0.0193 -0.0049 0.0180 737 LYS 54 CB 0.0099 0.0034 0.0043 738 LYS 54 CG 0.0020 0.0008 -0.0018 739 LYS 54 CD 0.0013 0.0034 -0.0040 740 LYS 54 CE -0.0053 0.0064 -0.0120 741 LYS 54 NZ -0.0121 -0.0004 -0.0148 742 LYS 54 H 0.0097 0.0145 -0.0021 743 LYS 54 HA 0.0075 -0.0021 0.0051 744 LYS 54 HB2 0.0123 0.0093 0.0033 745 LYS 54 HB3 0.0119 -0.0006 0.0085 746 LYS 54 HG2 -0.0002 -0.0055 -0.0005 747 LYS 54 HG3 -0.0004 0.0037 -0.0058 748 LYS 54 HD2 0.0056 0.0082 -0.0025 749 LYS 54 HD3 0.0006 -0.0016 -0.0019 750 LYS 54 HE2 -0.0045 0.0116 -0.0141 751 LYS 54 HE3 -0.0058 0.0077 -0.0132 752 LYS 54 HZ1 -0.0158 0.0016 -0.0195 753 LYS 54 HZ2 -0.0130 -0.0052 -0.0130 754 LYS 54 HZ3 -0.0118 -0.0017 -0.0138 755 ASP 55 N 0.0167 0.0070 0.0104 756 ASP 55 CA 0.0193 0.0071 0.0136 757 ASP 55 C 0.0172 0.0070 0.0110 758 ASP 55 O 0.0188 0.0076 0.0133 759 ASP 55 CB 0.0208 0.0123 0.0179 760 ASP 55 CG 0.0174 0.0179 0.0166 761 ASP 55 OD1 0.0137 0.0182 0.0124 762 ASP 55 OD2 0.0183 0.0221 0.0198 763 ASP 55 H 0.0150 0.0103 0.0101 764 ASP 55 HA 0.0218 0.0037 0.0148 765 ASP 55 HB2 0.0230 0.0118 0.0202 766 ASP 55 HB3 0.0218 0.0125 0.0192 767 ASP 56 N 0.0070 0.0077 0.0036 768 ASP 56 CA 0.0054 0.0083 0.0013 769 ASP 56 C 0.0035 0.0118 0.0016 770 ASP 56 O 0.0022 0.0125 -0.0001 771 ASP 56 CB 0.0064 0.0066 0.0011 772 ASP 56 CG 0.0077 0.0031 -0.0003 773 ASP 56 OD1 0.0074 0.0023 -0.0018 774 ASP 56 OD2 0.0089 0.0014 0.0000 775 ASP 56 H 0.0069 0.0072 0.0028 776 ASP 56 HA 0.0048 0.0076 -0.0008 777 ASP 56 HB2 0.0074 0.0068 0.0033 778 ASP 56 HB3 0.0052 0.0074 -0.0002 779 SER 57 N 0.0027 0.0120 0.0018 780 SER 57 CA -0.0003 0.0145 0.0022 781 SER 57 C -0.0010 0.0146 -0.0001 782 SER 57 O 0.0010 0.0128 -0.0011 783 SER 57 CB -0.0007 0.0155 0.0063 784 SER 57 OG 0.0011 0.0143 0.0077 785 SER 57 H 0.0039 0.0113 0.0038 786 SER 57 HA -0.0017 0.0154 0.0013 787 SER 57 HB2 -0.0028 0.0172 0.0064 788 SER 57 HB3 -0.0002 0.0154 0.0078 789 SER 57 HG 0.0007 0.0150 0.0099 790 LEU 58 N -0.0031 0.0167 -0.0049 791 LEU 58 CA -0.0035 0.0169 -0.0061 792 LEU 58 C -0.0039 0.0180 -0.0060 793 LEU 58 O -0.0039 0.0189 -0.0052 794 LEU 58 CB -0.0038 0.0171 -0.0071 795 LEU 58 CG -0.0035 0.0161 -0.0073 796 LEU 58 CD1 -0.0036 0.0166 -0.0070 797 LEU 58 CD2 -0.0037 0.0154 -0.0086 798 LEU 58 H -0.0032 0.0174 -0.0045 799 LEU 58 HA -0.0033 0.0162 -0.0064 800 LEU 58 HB2 -0.0040 0.0178 -0.0068 801 LEU 58 HB3 -0.0041 0.0172 -0.0079 802 LEU 58 HG -0.0031 0.0154 -0.0068 803 LEU 58 HD11 -0.0034 0.0159 -0.0072 804 LEU 58 HD12 -0.0035 0.0169 -0.0061 805 LEU 58 HD13 -0.0040 0.0172 -0.0075 806 LEU 58 HD21 -0.0035 0.0148 -0.0087 807 LEU 58 HD22 -0.0041 0.0160 -0.0092 808 LEU 58 HD23 -0.0036 0.0151 -0.0088 809 LYS 59 N -0.0011 0.0123 -0.0030 810 LYS 59 CA -0.0028 0.0120 -0.0012 811 LYS 59 C -0.0010 0.0141 -0.0055 812 LYS 59 O 0.0033 0.0139 -0.0085 813 LYS 59 CB -0.0005 0.0078 0.0028 814 LYS 59 CG -0.0030 0.0057 0.0077 815 LYS 59 CD 0.0005 0.0013 0.0111 816 LYS 59 CE -0.0018 -0.0007 0.0156 817 LYS 59 NZ -0.0049 -0.0020 0.0198 818 LYS 59 H 0.0022 0.0112 -0.0039 819 LYS 59 HA -0.0067 0.0132 0.0001 820 LYS 59 HB2 0.0033 0.0064 0.0019 821 LYS 59 HB3 -0.0011 0.0077 0.0034 822 LYS 59 HG2 -0.0063 0.0064 0.0093 823 LYS 59 HG3 -0.0035 0.0064 0.0070 824 LYS 59 HD2 0.0040 0.0006 0.0094 825 LYS 59 HD3 0.0007 0.0005 0.0121 826 LYS 59 HE2 -0.0042 0.0011 0.0149 827 LYS 59 HE3 0.0010 -0.0029 0.0166 828 LYS 59 HZ1 -0.0028 -0.0038 0.0206 829 LYS 59 HZ2 -0.0075 -0.0001 0.0191 830 LYS 59 HZ3 -0.0062 -0.0032 0.0224 831 VAL 60 N -0.0038 0.0161 -0.0052 832 VAL 60 CA -0.0040 0.0161 -0.0055 833 VAL 60 C -0.0045 0.0158 -0.0046 834 VAL 60 O -0.0053 0.0155 -0.0043 835 VAL 60 CB -0.0046 0.0163 -0.0064 836 VAL 60 CG1 -0.0048 0.0163 -0.0066 837 VAL 60 CG2 -0.0041 0.0166 -0.0073 838 VAL 60 H -0.0044 0.0159 -0.0050 839 VAL 60 HA -0.0033 0.0163 -0.0055 840 VAL 60 HB -0.0052 0.0161 -0.0064 841 VAL 60 HG11 -0.0050 0.0164 -0.0073 842 VAL 60 HG12 -0.0053 0.0160 -0.0062 843 VAL 60 HG13 -0.0042 0.0164 -0.0065 844 VAL 60 HG21 -0.0045 0.0167 -0.0079 845 VAL 60 HG22 -0.0034 0.0168 -0.0073 846 VAL 60 HG23 -0.0041 0.0166 -0.0072 847 PHE 61 N 0.0008 0.0055 -0.0033 848 PHE 61 CA -0.0001 0.0067 -0.0033 849 PHE 61 C -0.0009 0.0075 -0.0059 850 PHE 61 O -0.0003 0.0065 -0.0079 851 PHE 61 CB 0.0009 0.0054 -0.0026 852 PHE 61 CG 0.0018 0.0045 -0.0000 853 PHE 61 CD1 0.0010 0.0057 0.0022 854 PHE 61 CD2 0.0034 0.0025 0.0003 855 PHE 61 CE1 0.0018 0.0049 0.0046 856 PHE 61 CE2 0.0042 0.0016 0.0026 857 PHE 61 CZ 0.0034 0.0029 0.0048 858 PHE 61 H 0.0015 0.0045 -0.0044 859 PHE 61 HA -0.0009 0.0078 -0.0021 860 PHE 61 HB2 0.0017 0.0043 -0.0039 861 PHE 61 HB3 0.0003 0.0063 -0.0026 862 PHE 61 HD1 -0.0000 0.0071 0.0020 863 PHE 61 HD2 0.0039 0.0016 -0.0012 864 PHE 61 HE1 0.0012 0.0058 0.0060 865 PHE 61 HE2 0.0052 0.0003 0.0028 866 PHE 61 HZ 0.0039 0.0024 0.0064 867 SER 62 N -0.0023 0.0026 -0.0084 868 SER 62 CA -0.0031 0.0026 -0.0089 869 SER 62 C -0.0022 0.0026 -0.0086 870 SER 62 O -0.0015 0.0027 -0.0075 871 SER 62 CB -0.0045 0.0029 -0.0083 872 SER 62 OG -0.0053 0.0029 -0.0088 873 SER 62 H -0.0028 0.0028 -0.0078 874 SER 62 HA -0.0032 0.0025 -0.0099 875 SER 62 HB2 -0.0050 0.0030 -0.0085 876 SER 62 HB3 -0.0044 0.0031 -0.0073 877 SER 62 HG -0.0050 0.0027 -0.0095 878 THR 63 N -0.0063 -0.0007 -0.0063 879 THR 63 CA -0.0042 -0.0010 -0.0056 880 THR 63 C -0.0036 -0.0027 -0.0046 881 THR 63 O -0.0019 -0.0032 -0.0040 882 THR 63 CB -0.0028 0.0007 -0.0061 883 THR 63 OG1 -0.0031 0.0011 -0.0064 884 THR 63 CG2 -0.0032 0.0024 -0.0071 885 THR 63 H -0.0064 0.0002 -0.0068 886 THR 63 HA -0.0040 -0.0013 -0.0054 887 THR 63 HB -0.0014 0.0005 -0.0057 888 THR 63 HG1 -0.0024 0.0021 -0.0067 889 THR 63 HG21 -0.0023 0.0035 -0.0074 890 THR 63 HG22 -0.0029 0.0022 -0.0069 891 THR 63 HG23 -0.0046 0.0027 -0.0076 892 ASN 64 N 0.0004 -0.0059 -0.0065 893 ASN 64 CA -0.0015 -0.0063 -0.0041 894 ASN 64 C -0.0010 -0.0056 -0.0018 895 ASN 64 O -0.0010 -0.0056 -0.0021 896 ASN 64 CB -0.0042 -0.0076 -0.0051 897 ASN 64 CG -0.0064 -0.0082 -0.0030 898 ASN 64 OD1 -0.0066 -0.0081 -0.0019 899 ASN 64 ND2 -0.0080 -0.0088 -0.0024 900 ASN 64 H -0.0001 -0.0063 -0.0076 901 ASN 64 HA -0.0014 -0.0061 -0.0035 902 ASN 64 HB2 -0.0044 -0.0081 -0.0067 903 ASN 64 HB3 -0.0043 -0.0078 -0.0056 904 ASN 64 HD21 -0.0093 -0.0092 -0.0012 905 ASN 64 HD22 -0.0078 -0.0089 -0.0032 906 ASN 64 N 0.0004 -0.0059 -0.0065 907 ASN 64 CA -0.0014 -0.0062 -0.0041 908 ASN 64 C -0.0007 -0.0054 -0.0018 909 ASN 64 O -0.0004 -0.0054 -0.0022 910 ASN 64 CB -0.0041 -0.0075 -0.0047 911 ASN 64 CG -0.0051 -0.0083 -0.0064 912 ASN 64 OD1 -0.0042 -0.0079 -0.0064 913 ASN 64 ND2 -0.0070 -0.0095 -0.0080 914 ASN 64 H -0.0002 -0.0064 -0.0077 915 ASN 64 HA -0.0012 -0.0060 -0.0035 916 ASN 64 HB2 -0.0043 -0.0078 -0.0056 917 ASN 64 HB3 -0.0052 -0.0077 -0.0030 918 ASN 64 HD21 -0.0076 -0.0100 -0.0090 919 ASN 64 HD22 -0.0076 -0.0097 -0.0079 920 CYS 65 N 0.0032 -0.0095 0.0003 921 CYS 65 CA 0.0035 -0.0090 0.0013 922 CYS 65 C 0.0027 -0.0087 0.0019 923 CYS 65 O 0.0017 -0.0087 0.0018 924 CYS 65 CB 0.0035 -0.0088 0.0018 925 CYS 65 SG 0.0039 -0.0082 0.0031 926 CYS 65 HA 0.0042 -0.0090 0.0014 927 CYS 65 HB2 0.0040 -0.0090 0.0015 928 CYS 65 HB3 0.0027 -0.0088 0.0018 929 CYS 65 H 0.0030 -0.0096 0.0001 930 CYS 65 H 0.0029 -0.0096 0.0001 931 PRO 66 N 0.0074 -0.0044 0.0004 932 PRO 66 CA 0.0075 -0.0039 0.0005 933 PRO 66 C 0.0066 -0.0029 0.0010 934 PRO 66 O 0.0065 -0.0025 0.0011 935 PRO 66 CB 0.0089 -0.0034 0.0004 936 PRO 66 CG 0.0093 -0.0031 0.0004 937 PRO 66 CD 0.0086 -0.0041 0.0003 938 PRO 66 HA 0.0073 -0.0046 0.0003 939 PRO 66 HB2 0.0090 -0.0027 0.0006 940 PRO 66 HB3 0.0094 -0.0041 0.0001 941 PRO 66 HG2 0.0090 -0.0023 0.0007 942 PRO 66 HG3 0.0102 -0.0032 0.0003 943 PRO 66 HD2 0.0084 -0.0038 0.0004 944 PRO 66 HD3 0.0091 -0.0049 -0.0001 945 HIS 67 N 0.0067 -0.0080 0.0008 946 HIS 67 CA 0.0051 -0.0068 0.0019 947 HIS 67 C 0.0036 -0.0094 0.0035 948 HIS 67 O 0.0042 -0.0106 0.0033 949 HIS 67 CB 0.0034 -0.0039 0.0029 950 HIS 67 CG 0.0016 -0.0026 0.0041 951 HIS 67 ND1 -0.0008 -0.0019 0.0061 952 HIS 67 CD2 0.0019 -0.0019 0.0038 953 HIS 67 CE1 -0.0020 -0.0008 0.0068 954 HIS 67 NE2 -0.0004 -0.0008 0.0055 955 HIS 67 H 0.0062 -0.0074 0.0011 956 HIS 67 HA 0.0060 -0.0061 0.0010 957 HIS 67 HB2 0.0044 -0.0023 0.0018 958 HIS 67 HB3 0.0025 -0.0046 0.0037 959 HIS 67 HD2 0.0034 -0.0021 0.0026 960 HIS 67 HE1 -0.0036 -0.0001 0.0081 961 HIS 67 HE2 -0.0007 -0.0002 0.0057 962 LEU 68 N -0.0012 -0.0130 0.0064 963 LEU 68 CA -0.0024 -0.0166 0.0098 964 LEU 68 C -0.0028 -0.0177 0.0108 965 LEU 68 O -0.0041 -0.0194 0.0143 966 LEU 68 CB -0.0040 -0.0154 0.0140 967 LEU 68 CG -0.0038 -0.0157 0.0135 968 LEU 68 CD1 -0.0054 -0.0143 0.0177 969 LEU 68 CD2 -0.0033 -0.0206 0.0122 970 LEU 68 H -0.0014 -0.0107 0.0067 971 LEU 68 HA -0.0020 -0.0195 0.0087 972 LEU 68 HB2 -0.0044 -0.0122 0.0148 973 LEU 68 HB3 -0.0048 -0.0176 0.0163 974 LEU 68 HG -0.0030 -0.0136 0.0111 975 LEU 68 HD11 -0.0053 -0.0146 0.0173 976 LEU 68 HD12 -0.0057 -0.0111 0.0184 977 LEU 68 HD13 -0.0062 -0.0164 0.0200 978 LEU 68 HD21 -0.0034 -0.0208 0.0127 979 LEU 68 HD22 -0.0039 -0.0229 0.0141 980 LEU 68 HD23 -0.0021 -0.0212 0.0092 981 GLY 69 N -0.0028 -0.0122 0.0060 982 GLY 69 CA -0.0028 -0.0132 0.0047 983 GLY 69 C -0.0024 -0.0123 0.0052 984 GLY 69 O -0.0026 -0.0132 0.0043 985 GLY 69 H -0.0019 -0.0114 0.0055 986 GLY 69 HA2 -0.0021 -0.0133 0.0033 987 GLY 69 HA3 -0.0038 -0.0145 0.0049 988 CYS 70 N -0.0028 -0.0126 0.0047 989 CYS 70 CA -0.0024 -0.0128 0.0044 990 CYS 70 C -0.0004 -0.0133 0.0030 991 CYS 70 O 0.0010 -0.0131 0.0025 992 CYS 70 CB -0.0024 -0.0111 0.0058 993 CYS 70 SG -0.0050 -0.0106 0.0074 994 CYS 70 H -0.0027 -0.0115 0.0056 995 CYS 70 HA -0.0036 -0.0138 0.0042 996 CYS 70 HB2 -0.0014 -0.0101 0.0062 997 CYS 70 HB3 -0.0019 -0.0112 0.0055 998 GLY 71 N 0.0011 -0.0106 0.0002 999 GLY 71 CA 0.0018 -0.0103 -0.0010 1000 GLY 71 C 0.0034 -0.0110 0.0004 1001 GLY 71 O 0.0050 -0.0115 0.0014 1002 GLY 71 H 0.0017 -0.0105 -0.0003 1003 GLY 71 HA2 0.0005 -0.0100 -0.0013 1004 GLY 71 HA3 0.0027 -0.0098 -0.0023 1005 ILE 72 N 0.0064 -0.0112 -0.0009 1006 ILE 72 CA 0.0070 -0.0117 -0.0003 1007 ILE 72 C 0.0073 -0.0128 -0.0006 1008 ILE 72 O 0.0074 -0.0132 -0.0007 1009 ILE 72 CB 0.0074 -0.0113 0.0007 1010 ILE 72 CG1 0.0071 -0.0102 0.0011 1011 ILE 72 CG2 0.0081 -0.0119 0.0013 1012 ILE 72 CD1 0.0076 -0.0097 0.0020 1013 ILE 72 H 0.0064 -0.0111 -0.0007 1014 ILE 72 HA 0.0068 -0.0115 -0.0004 1015 ILE 72 HB 0.0075 -0.0114 0.0008 1016 ILE 72 HG12 0.0071 -0.0100 0.0011 1017 ILE 72 HG13 0.0067 -0.0098 0.0006 1018 ILE 72 HG21 0.0084 -0.0116 0.0020 1019 ILE 72 HG22 0.0083 -0.0126 0.0012 1020 ILE 72 HG23 0.0081 -0.0119 0.0012 1021 ILE 72 HD11 0.0074 -0.0090 0.0022 1022 ILE 72 HD12 0.0075 -0.0097 0.0020 1023 ILE 72 HD13 0.0080 -0.0101 0.0025 1024 ASP 73 N 0.0079 -0.0129 0.0043 1025 ASP 73 CA 0.0086 -0.0141 0.0039 1026 ASP 73 C 0.0087 -0.0152 0.0054 1027 ASP 73 O 0.0085 -0.0154 0.0066 1028 ASP 73 CB 0.0094 -0.0150 0.0026 1029 ASP 73 CG 0.0094 -0.0141 0.0011 1030 ASP 73 OD1 0.0091 -0.0130 0.0005 1031 ASP 73 OD2 0.0098 -0.0144 0.0004 1032 ASP 73 H 0.0080 -0.0133 0.0045 1033 ASP 73 HA 0.0085 -0.0136 0.0034 1034 ASP 73 HB2 0.0095 -0.0155 0.0031 1035 ASP 73 HB3 0.0099 -0.0158 0.0024 1036 TRP 74 N 0.0085 -0.0175 0.0136 1037 TRP 74 CA 0.0062 -0.0173 0.0127 1038 TRP 74 C 0.0037 -0.0171 0.0125 1039 TRP 74 O 0.0030 -0.0168 0.0144 1040 TRP 74 CB 0.0055 -0.0171 0.0147 1041 TRP 74 CG 0.0029 -0.0169 0.0141 1042 TRP 74 CD1 0.0005 -0.0165 0.0154 1043 TRP 74 CD2 0.0025 -0.0170 0.0118 1044 TRP 74 NE1 -0.0014 -0.0164 0.0142 1045 TRP 74 CE2 -0.0003 -0.0167 0.0120 1046 TRP 74 CE3 0.0041 -0.0174 0.0097 1047 TRP 74 CZ2 -0.0013 -0.0168 0.0102 1048 TRP 74 CZ3 0.0030 -0.0175 0.0079 1049 TRP 74 CH2 0.0003 -0.0171 0.0081 1050 TRP 74 H 0.0086 -0.0174 0.0153 1051 TRP 74 HA 0.0065 -0.0176 0.0109 1052 TRP 74 HB2 0.0070 -0.0173 0.0147 1053 TRP 74 HB3 0.0054 -0.0169 0.0165 1054 TRP 74 HD1 0.0002 -0.0163 0.0170 1055 TRP 74 HE1 -0.0030 -0.0161 0.0148 1056 TRP 74 HE3 0.0059 -0.0176 0.0096 1057 TRP 74 HZ2 -0.0031 -0.0166 0.0103 1058 TRP 74 HZ3 0.0041 -0.0177 0.0065 1059 TRP 74 HH2 -0.0004 -0.0172 0.0068 1060 ALA 75 N -0.0004 -0.0203 0.0220 1061 ALA 75 CA -0.0062 -0.0174 0.0219 1062 ALA 75 C -0.0129 -0.0143 0.0200 1063 ALA 75 O -0.0142 -0.0147 0.0135 1064 ALA 75 CB -0.0054 -0.0188 0.0160 1065 ALA 75 H 0.0006 -0.0217 0.0174 1066 ALA 75 HA -0.0064 -0.0164 0.0269 1067 ALA 75 HB1 -0.0093 -0.0168 0.0159 1068 ALA 75 HB2 -0.0012 -0.0208 0.0174 1069 ALA 75 HB3 -0.0051 -0.0198 0.0110 1070 ASN 76 N -0.0234 -0.0064 0.0321 1071 ASN 76 CA -0.0291 0.0009 0.0267 1072 ASN 76 C -0.0327 0.0058 0.0236 1073 ASN 76 O -0.0375 0.0102 0.0169 1074 ASN 76 CB -0.0304 0.0078 0.0324 1075 ASN 76 CG -0.0314 0.0069 0.0285 1076 ASN 76 OD1 -0.0347 0.0068 0.0199 1077 ASN 76 ND2 -0.0286 0.0061 0.0349 1078 ASN 76 H -0.0217 -0.0053 0.0381 1079 ASN 76 HA -0.0299 -0.0018 0.0209 1080 ASN 76 HB2 -0.0274 0.0067 0.0390 1081 ASN 76 HB3 -0.0336 0.0139 0.0321 1082 ASN 76 HD21 -0.0264 0.0061 0.0408 1083 ASN 76 HD22 -0.0291 0.0056 0.0331 1084 ASP 77 N -0.0564 0.0162 0.0426 1085 ASP 77 CA -0.0690 0.0319 0.0325 1086 ASP 77 C -0.0639 0.0305 0.0075 1087 ASP 77 O -0.0716 0.0416 -0.0078 1088 ASP 77 CB -0.0760 0.0373 0.0472 1089 ASP 77 CG -0.0647 0.0238 0.0525 1090 ASP 77 OD1 -0.0506 0.0091 0.0464 1091 ASP 77 OD2 -0.0703 0.0282 0.0638 1092 ASP 77 H -0.0521 0.0099 0.0521 1093 ASP 77 HA -0.0774 0.0414 0.0323 1094 ASP 77 HB2 -0.0838 0.0474 0.0393 1095 ASP 77 HB3 -0.0807 0.0402 0.0617 1096 VAL 78 N -0.0430 -0.0151 0.0082 1097 VAL 78 CA -0.0402 -0.0171 -0.0045 1098 VAL 78 C -0.0350 -0.0179 -0.0028 1099 VAL 78 O -0.0332 -0.0193 -0.0127 1100 VAL 78 CB -0.0312 -0.0197 -0.0129 1101 VAL 78 CG1 -0.0376 -0.0189 -0.0165 1102 VAL 78 CG2 -0.0181 -0.0214 -0.0055 1103 VAL 78 H -0.0365 -0.0160 0.0115 1104 VAL 78 HA -0.0484 -0.0161 -0.0097 1105 VAL 78 HB -0.0294 -0.0210 -0.0211 1106 VAL 78 HG11 -0.0317 -0.0206 -0.0219 1107 VAL 78 HG12 -0.0457 -0.0179 -0.0214 1108 VAL 78 HG13 -0.0395 -0.0176 -0.0084 1109 VAL 78 HG21 -0.0121 -0.0232 -0.0114 1110 VAL 78 HG22 -0.0197 -0.0203 0.0022 1111 VAL 78 HG23 -0.0144 -0.0218 -0.0027 1112 SER 79 N -0.0197 -0.0120 0.0046 1113 SER 79 CA -0.0155 -0.0140 0.0044 1114 SER 79 C -0.0085 -0.0171 -0.0007 1115 SER 79 O -0.0071 -0.0175 -0.0065 1116 SER 79 CB -0.0201 -0.0117 0.0014 1117 SER 79 OG -0.0254 -0.0094 0.0075 1118 SER 79 H -0.0209 -0.0117 0.0094 1119 SER 79 HA -0.0142 -0.0149 0.0099 1120 SER 79 HB2 -0.0225 -0.0102 -0.0035 1121 SER 79 HB3 -0.0169 -0.0131 0.0005 1122 SER 79 HG -0.0279 -0.0081 0.0060 1123 ARG 80 N -0.0025 -0.0227 0.0054 1124 ARG 80 CA 0.0019 -0.0196 0.0035 1125 ARG 80 C 0.0046 -0.0181 0.0048 1126 ARG 80 O 0.0028 -0.0193 0.0051 1127 ARG 80 CB 0.0016 -0.0187 -0.0023 1128 ARG 80 CG -0.0012 -0.0202 -0.0044 1129 ARG 80 CD 0.0006 -0.0194 -0.0025 1130 ARG 80 NE -0.0016 -0.0203 -0.0057 1131 ARG 80 CZ -0.0016 -0.0205 -0.0044 1132 ARG 80 NH1 0.0005 -0.0199 -0.0000 1133 ARG 80 NH2 -0.0037 -0.0212 -0.0076 1134 ARG 80 H -0.0035 -0.0233 0.0047 1135 ARG 80 HA 0.0033 -0.0190 0.0053 1136 ARG 80 HB2 0.0005 -0.0192 -0.0040 1137 ARG 80 HB3 0.0046 -0.0167 -0.0032 1138 ARG 80 HG2 -0.0042 -0.0223 -0.0033 1139 ARG 80 HG3 -0.0014 -0.0196 -0.0082 1140 ARG 80 HD2 0.0037 -0.0173 -0.0029 1141 ARG 80 HD3 0.0000 -0.0203 0.0010 1142 ARG 80 HE -0.0031 -0.0207 -0.0086 1143 ARG 80 HH11 0.0019 -0.0193 0.0021 1144 ARG 80 HH12 0.0005 -0.0200 0.0007 1145 ARG 80 HH21 -0.0050 -0.0216 -0.0105 1146 ARG 80 HH22 -0.0037 -0.0214 -0.0068 1147 PHE 81 N 0.0098 -0.0175 0.0040 1148 PHE 81 CA 0.0108 -0.0166 0.0038 1149 PHE 81 C 0.0118 -0.0174 0.0031 1150 PHE 81 O 0.0115 -0.0185 0.0029 1151 PHE 81 CB 0.0103 -0.0159 0.0042 1152 PHE 81 CG 0.0095 -0.0149 0.0048 1153 PHE 81 CD1 0.0100 -0.0138 0.0049 1154 PHE 81 CD2 0.0083 -0.0150 0.0054 1155 PHE 81 CE1 0.0093 -0.0128 0.0055 1156 PHE 81 CE2 0.0076 -0.0140 0.0060 1157 PHE 81 CZ 0.0081 -0.0129 0.0061 1158 PHE 81 H 0.0092 -0.0177 0.0043 1159 PHE 81 HA 0.0111 -0.0160 0.0038 1160 PHE 81 HB2 0.0099 -0.0165 0.0042 1161 PHE 81 HB3 0.0110 -0.0154 0.0040 1162 PHE 81 HD1 0.0108 -0.0137 0.0046 1163 PHE 81 HD2 0.0080 -0.0157 0.0054 1164 PHE 81 HE1 0.0096 -0.0121 0.0056 1165 PHE 81 HE2 0.0068 -0.0141 0.0064 1166 PHE 81 HZ 0.0076 -0.0123 0.0065 1167 LEU 82 N 0.0087 -0.0177 0.0032 1168 LEU 82 CA 0.0092 -0.0177 0.0015 1169 LEU 82 C 0.0113 -0.0173 0.0019 1170 LEU 82 O 0.0116 -0.0170 0.0037 1171 LEU 82 CB 0.0076 -0.0181 0.0012 1172 LEU 82 CG 0.0053 -0.0186 0.0009 1173 LEU 82 CD1 0.0039 -0.0190 0.0005 1174 LEU 82 CD2 0.0052 -0.0188 -0.0011 1175 LEU 82 H 0.0087 -0.0176 0.0044 1176 LEU 82 HA 0.0094 -0.0178 0.0002 1177 LEU 82 HB2 0.0075 -0.0180 0.0025 1178 LEU 82 HB3 0.0080 -0.0181 0.0000 1179 LEU 82 HG 0.0049 -0.0186 0.0021 1180 LEU 82 HD11 0.0024 -0.0193 0.0003 1181 LEU 82 HD12 0.0039 -0.0188 0.0018 1182 LEU 82 HD13 0.0044 -0.0190 -0.0007 1183 LEU 82 HD21 0.0037 -0.0191 -0.0013 1184 LEU 82 HD22 0.0058 -0.0188 -0.0023 1185 LEU 82 HD23 0.0060 -0.0186 -0.0008 1186 CYS 83 N 0.0058 -0.0141 0.0021 1187 CYS 83 CA 0.0039 -0.0143 0.0017 1188 CYS 83 C 0.0013 -0.0131 0.0013 1189 CYS 83 O 0.0012 -0.0107 0.0016 1190 CYS 83 CB 0.0045 -0.0129 0.0020 1191 CYS 83 SG 0.0020 -0.0132 0.0014 1192 CYS 83 H 0.0063 -0.0126 0.0023 1193 CYS 83 HA 0.0037 -0.0162 0.0014 1194 CYS 83 HB2 0.0061 -0.0137 0.0022 1195 CYS 83 HB3 0.0048 -0.0111 0.0022 1196 PRO 84 N -0.0022 -0.0134 0.0032 1197 PRO 84 CA -0.0048 -0.0119 0.0040 1198 PRO 84 C -0.0079 -0.0102 0.0047 1199 PRO 84 O -0.0101 -0.0086 0.0055 1200 PRO 84 CB -0.0061 -0.0147 0.0027 1201 PRO 84 CG -0.0058 -0.0176 0.0013 1202 PRO 84 CD -0.0025 -0.0170 0.0016 1203 PRO 84 HA -0.0036 -0.0103 0.0047 1204 PRO 84 HB2 -0.0086 -0.0144 0.0028 1205 PRO 84 HB3 -0.0047 -0.0149 0.0025 1206 PRO 84 HG2 -0.0079 -0.0178 0.0012 1207 PRO 84 HG3 -0.0055 -0.0196 0.0004 1208 PRO 84 HD2 -0.0028 -0.0179 0.0012 1209 PRO 84 HD3 -0.0003 -0.0180 0.0011 1210 CYS 85 N -0.0090 -0.0117 0.0073 1211 CYS 85 CA -0.0114 -0.0106 0.0079 1212 CYS 85 C -0.0113 -0.0067 0.0085 1213 CYS 85 O -0.0140 -0.0050 0.0092 1214 CYS 85 CB -0.0108 -0.0128 0.0075 1215 CYS 85 SG -0.0127 -0.0172 0.0072 1216 CYS 85 H -0.0072 -0.0128 0.0068 1217 CYS 85 HA -0.0138 -0.0112 0.0083 1218 CYS 85 HB2 -0.0083 -0.0129 0.0070 1219 CYS 85 HB3 -0.0118 -0.0116 0.0079 1220 HIS 86 N -0.0120 -0.0059 0.0088 1221 HIS 86 CA -0.0116 -0.0004 0.0084 1222 HIS 86 C -0.0081 0.0028 0.0070 1223 HIS 86 O -0.0057 0.0066 0.0059 1224 HIS 86 CB -0.0097 -0.0000 0.0077 1225 HIS 86 CG -0.0124 -0.0038 0.0088 1226 HIS 86 ND1 -0.0105 -0.0089 0.0084 1227 HIS 86 CD2 -0.0169 -0.0033 0.0104 1228 HIS 86 CE1 -0.0137 -0.0113 0.0097 1229 HIS 86 NE2 -0.0176 -0.0080 0.0109 1230 HIS 86 H -0.0092 -0.0074 0.0079 1231 HIS 86 HA -0.0149 0.0013 0.0095 1232 HIS 86 HB2 -0.0061 -0.0009 0.0064 1233 HIS 86 HB3 -0.0103 0.0036 0.0077 1234 HIS 86 HD2 -0.0190 -0.0003 0.0111 1235 HIS 86 HE1 -0.0133 -0.0147 0.0097 1236 HIS 86 HE2 -0.0202 -0.0087 0.0119 1237 GLU 87 N -0.0068 -0.0055 0.0045 1238 GLU 87 CA -0.0070 -0.0025 0.0025 1239 GLU 87 C 0.0019 -0.0024 0.0010 1240 GLU 87 O 0.0037 0.0026 -0.0027 1241 GLU 87 CB -0.0120 0.0049 -0.0018 1242 GLU 87 CG -0.0212 0.0050 -0.0005 1243 GLU 87 CD -0.0263 0.0122 -0.0046 1244 GLU 87 OE1 -0.0261 0.0152 -0.0067 1245 GLU 87 OE2 -0.0306 0.0149 -0.0058 1246 GLU 87 H -0.0091 -0.0094 0.0076 1247 GLU 87 HA -0.0101 -0.0056 0.0051 1248 GLU 87 HB2 -0.0090 0.0081 -0.0045 1249 GLU 87 HB3 -0.0122 0.0065 -0.0029 1250 GLU 87 HG2 -0.0241 0.0014 0.0024 1251 GLU 87 HG3 -0.0210 0.0040 0.0002 1252 GLY 88 N 0.0021 -0.0042 -0.0013 1253 GLY 88 CA 0.0065 -0.0046 -0.0015 1254 GLY 88 C 0.0079 -0.0060 -0.0014 1255 GLY 88 O 0.0060 -0.0086 -0.0009 1256 GLY 88 H 0.0008 -0.0059 -0.0010 1257 GLY 88 HA2 0.0077 -0.0020 -0.0020 1258 GLY 88 HA3 0.0074 -0.0065 -0.0013 1259 VAL 89 N 0.0102 -0.0070 -0.0067 1260 VAL 89 CA 0.0102 -0.0094 -0.0050 1261 VAL 89 C 0.0139 -0.0091 -0.0031 1262 VAL 89 O 0.0159 -0.0064 -0.0039 1263 VAL 89 CB 0.0083 -0.0089 -0.0064 1264 VAL 89 CG1 0.0082 -0.0116 -0.0046 1265 VAL 89 CG2 0.0046 -0.0089 -0.0085 1266 VAL 89 H 0.0116 -0.0051 -0.0072 1267 VAL 89 HA 0.0091 -0.0116 -0.0041 1268 VAL 89 HB 0.0095 -0.0068 -0.0072 1269 VAL 89 HG11 0.0067 -0.0114 -0.0056 1270 VAL 89 HG12 0.0106 -0.0113 -0.0035 1271 VAL 89 HG13 0.0074 -0.0137 -0.0036 1272 VAL 89 HG21 0.0035 -0.0086 -0.0094 1273 VAL 89 HG22 0.0034 -0.0109 -0.0078 1274 VAL 89 HG23 0.0047 -0.0071 -0.0097 1275 PHE 90 N 0.0132 -0.0110 0.0007 1276 PHE 90 CA 0.0158 -0.0111 0.0024 1277 PHE 90 C 0.0165 -0.0134 0.0035 1278 PHE 90 O 0.0150 -0.0156 0.0031 1279 PHE 90 CB 0.0165 -0.0115 0.0030 1280 PHE 90 CG 0.0155 -0.0096 0.0019 1281 PHE 90 CD1 0.0133 -0.0104 0.0005 1282 PHE 90 CD2 0.0169 -0.0072 0.0021 1283 PHE 90 CE1 0.0123 -0.0086 -0.0006 1284 PHE 90 CE2 0.0159 -0.0054 0.0010 1285 PHE 90 CZ 0.0137 -0.0062 -0.0003 1286 PHE 90 H 0.0124 -0.0126 0.0005 1287 PHE 90 HA 0.0167 -0.0093 0.0025 1288 PHE 90 HB2 0.0160 -0.0134 0.0032 1289 PHE 90 HB3 0.0183 -0.0111 0.0041 1290 PHE 90 HD1 0.0124 -0.0121 0.0004 1291 PHE 90 HD2 0.0184 -0.0067 0.0030 1292 PHE 90 HE1 0.0108 -0.0091 -0.0015 1293 PHE 90 HE2 0.0168 -0.0038 0.0012 1294 PHE 90 HZ 0.0131 -0.0050 -0.0010 1295 ASP 91 N 0.0164 -0.0129 0.0048 1296 ASP 91 CA 0.0168 -0.0171 0.0076 1297 ASP 91 C 0.0178 -0.0184 0.0101 1298 ASP 91 O 0.0182 -0.0160 0.0096 1299 ASP 91 CB 0.0184 -0.0168 0.0103 1300 ASP 91 CG 0.0211 -0.0137 0.0138 1301 ASP 91 OD1 0.0220 -0.0124 0.0149 1302 ASP 91 OD2 0.0223 -0.0126 0.0154 1303 ASP 91 H 0.0175 -0.0104 0.0056 1304 ASP 91 HA 0.0153 -0.0197 0.0061 1305 ASP 91 HB2 0.0183 -0.0198 0.0117 1306 ASP 91 HB3 0.0177 -0.0156 0.0085 1307 VAL 92 N 0.0125 -0.0166 0.0111 1308 VAL 92 CA 0.0123 -0.0154 0.0113 1309 VAL 92 C 0.0112 -0.0132 0.0133 1310 VAL 92 O 0.0109 -0.0116 0.0133 1311 VAL 92 CB 0.0125 -0.0178 0.0119 1312 VAL 92 CG1 0.0116 -0.0189 0.0148 1313 VAL 92 CG2 0.0125 -0.0169 0.0113 1314 VAL 92 H 0.0126 -0.0183 0.0118 1315 VAL 92 HA 0.0127 -0.0145 0.0096 1316 VAL 92 HB 0.0131 -0.0193 0.0107 1317 VAL 92 HG11 0.0119 -0.0206 0.0151 1318 VAL 92 HG12 0.0116 -0.0192 0.0153 1319 VAL 92 HG13 0.0110 -0.0175 0.0160 1320 VAL 92 HG21 0.0127 -0.0185 0.0116 1321 VAL 92 HG22 0.0119 -0.0154 0.0124 1322 VAL 92 HG23 0.0131 -0.0163 0.0094 1323 ASN 93 N 0.0188 -0.0157 0.0180 1324 ASN 93 CA 0.0162 -0.0103 0.0223 1325 ASN 93 C 0.0138 -0.0040 0.0198 1326 ASN 93 O 0.0115 0.0007 0.0235 1327 ASN 93 CB 0.0163 -0.0118 0.0298 1328 ASN 93 CG 0.0184 -0.0172 0.0331 1329 ASN 93 OD1 0.0187 -0.0178 0.0319 1330 ASN 93 ND2 0.0198 -0.0214 0.0371 1331 ASN 93 H 0.0195 -0.0176 0.0193 1332 ASN 93 HA 0.0159 -0.0096 0.0222 1333 ASN 93 HB2 0.0168 -0.0129 0.0299 1334 ASN 93 HB3 0.0145 -0.0080 0.0326 1335 ASN 93 HD21 0.0196 -0.0209 0.0377 1336 ASN 93 HD22 0.0210 -0.0246 0.0390 1337 GLY 94 N 0.0188 -0.0110 0.0115 1338 GLY 94 CA 0.0190 -0.0083 0.0098 1339 GLY 94 C 0.0191 -0.0076 0.0094 1340 GLY 94 O 0.0194 -0.0053 0.0079 1341 GLY 94 H 0.0187 -0.0125 0.0104 1342 GLY 94 HA2 0.0191 -0.0085 0.0079 1343 GLY 94 HA3 0.0191 -0.0067 0.0109 1344 LYS 95 N 0.0293 -0.0108 0.0105 1345 LYS 95 CA 0.0293 -0.0034 0.0106 1346 LYS 95 C 0.0233 -0.0016 0.0066 1347 LYS 95 O 0.0208 -0.0057 0.0049 1348 LYS 95 CB 0.0340 -0.0023 0.0138 1349 LYS 95 CG 0.0345 0.0053 0.0143 1350 LYS 95 CD 0.0378 0.0059 0.0165 1351 LYS 95 CE 0.0375 0.0135 0.0164 1352 LYS 95 NZ 0.0335 0.0184 0.0138 1353 LYS 95 H 0.0310 -0.0137 0.0116 1354 LYS 95 HA 0.0301 -0.0003 0.0112 1355 LYS 95 HB2 0.0378 -0.0037 0.0163 1356 LYS 95 HB3 0.0331 -0.0052 0.0132 1357 LYS 95 HG2 0.0306 0.0072 0.0117 1358 LYS 95 HG3 0.0366 0.0080 0.0157 1359 LYS 95 HD2 0.0418 0.0047 0.0192 1360 LYS 95 HD3 0.0360 0.0028 0.0153 1361 LYS 95 HE2 0.0414 0.0155 0.0191 1362 LYS 95 HE3 0.0361 0.0133 0.0155 1363 LYS 95 HZ1 0.0299 0.0168 0.0113 1364 LYS 95 HZ2 0.0336 0.0227 0.0139 1365 LYS 95 HZ3 0.0347 0.0187 0.0146 1366 THR 96 N 0.0245 0.0010 0.0039 1367 THR 96 CA 0.0214 0.0024 0.0023 1368 THR 96 C 0.0218 0.0039 0.0024 1369 THR 96 O 0.0240 0.0062 0.0035 1370 THR 96 CB 0.0203 0.0055 0.0016 1371 THR 96 OG1 0.0207 0.0047 0.0018 1372 THR 96 CG2 0.0167 0.0062 -0.0002 1373 THR 96 H 0.0254 0.0023 0.0043 1374 THR 96 HA 0.0199 0.0005 0.0015 1375 THR 96 HB 0.0215 0.0077 0.0022 1376 THR 96 HG1 0.0201 0.0064 0.0015 1377 THR 96 HG21 0.0157 0.0073 -0.0008 1378 THR 96 HG22 0.0165 0.0078 -0.0004 1379 THR 96 HG23 0.0157 0.0039 -0.0007 1380 ILE 97 N 0.0203 0.0022 -0.0038 1381 ILE 97 CA 0.0186 0.0033 -0.0057 1382 ILE 97 C 0.0147 0.0054 -0.0100 1383 ILE 97 O 0.0136 0.0073 -0.0120 1384 ILE 97 CB 0.0173 -0.0010 -0.0039 1385 ILE 97 CG1 0.0133 -0.0052 -0.0041 1386 ILE 97 CG2 0.0216 -0.0026 0.0002 1387 ILE 97 CD1 0.0118 -0.0095 -0.0025 1388 ILE 97 H 0.0183 0.0001 -0.0040 1389 ILE 97 HA 0.0211 0.0058 -0.0055 1390 ILE 97 HB 0.0163 -0.0000 -0.0053 1391 ILE 97 HG12 0.0143 -0.0063 -0.0027 1392 ILE 97 HG13 0.0107 -0.0041 -0.0067 1393 ILE 97 HG21 0.0209 -0.0049 0.0013 1394 ILE 97 HG22 0.0242 0.0002 0.0004 1395 ILE 97 HG23 0.0222 -0.0040 0.0016 1396 ILE 97 HD11 0.0089 -0.0118 -0.0031 1397 ILE 97 HD12 0.0112 -0.0083 -0.0036 1398 ILE 97 HD13 0.0142 -0.0109 0.0002 1399 SER 98 N 0.0159 0.0056 -0.0057 1400 SER 98 C 0.0104 0.0070 -0.0072 1401 SER 98 O 0.0114 0.0033 -0.0055 1402 SER 98 CA 0.0120 0.0084 -0.0075 1403 SER 98 CB 0.0077 0.0081 -0.0082 1404 SER 98 OG 0.0049 0.0039 -0.0069 1405 SER 98 H 0.0162 0.0032 -0.0047 1406 SER 98 HA 0.0132 0.0116 -0.0087 1407 SER 98 HB2 0.0055 0.0106 -0.0095 1408 SER 98 HB3 0.0089 0.0085 -0.0081 1409 SER 98 HG 0.0036 0.0036 -0.0070 1410 SER 98 CA 0.0118 0.0082 -0.0075 1411 SER 98 CB 0.0074 0.0071 -0.0078 1412 SER 98 OG 0.0038 0.0104 -0.0097 1413 SER 98 H 0.0163 0.0033 -0.0047 1414 SER 98 HA 0.0126 0.0115 -0.0087 1415 SER 98 HB2 0.0086 0.0072 -0.0076 1416 SER 98 HB3 0.0060 0.0041 -0.0068 1417 SER 98 HG 0.0033 0.0108 -0.0100 1418 GLY 99 N 0.0070 0.0113 -0.0057 1419 GLY 99 CA 0.0052 0.0101 -0.0054 1420 GLY 99 C 0.0082 0.0112 -0.0057 1421 GLY 99 O 0.0119 0.0130 -0.0061 1422 GLY 99 H 0.0065 0.0139 -0.0066 1423 GLY 99 HA2 0.0023 0.0116 -0.0060 1424 GLY 99 HA3 0.0046 0.0070 -0.0045 1425 PRO 100 N 0.0061 0.0093 -0.0018 1426 PRO 100 CA 0.0071 0.0099 -0.0020 1427 PRO 100 C 0.0105 0.0064 -0.0026 1428 PRO 100 O 0.0112 0.0065 -0.0027 1429 PRO 100 CB 0.0023 0.0092 -0.0010 1430 PRO 100 CG -0.0000 0.0058 -0.0003 1431 PRO 100 CD 0.0015 0.0071 -0.0007 1432 PRO 100 HA 0.0082 0.0130 -0.0024 1433 PRO 100 HB2 0.0026 0.0080 -0.0010 1434 PRO 100 HB3 0.0006 0.0122 -0.0008 1435 PRO 100 HG2 0.0010 0.0026 -0.0004 1436 PRO 100 HG3 -0.0034 0.0060 0.0004 1437 PRO 100 HD2 0.0018 0.0043 -0.0006 1438 PRO 100 HD3 -0.0006 0.0094 -0.0004 1439 ALA 101 N 0.0101 0.0042 -0.0014 1440 ALA 101 CA 0.0119 0.0027 -0.0011 1441 ALA 101 C 0.0142 0.0043 -0.0012 1442 ALA 101 O 0.0152 0.0057 -0.0014 1443 ALA 101 CB 0.0127 0.0005 -0.0006 1444 ALA 101 H 0.0097 0.0037 -0.0014 1445 ALA 101 HA 0.0111 0.0022 -0.0010 1446 ALA 101 HB1 0.0139 -0.0005 -0.0004 1447 ALA 101 HB2 0.0112 -0.0006 -0.0005 1448 ALA 101 HB3 0.0135 0.0010 -0.0007 1449 PRO 102 N 0.0146 0.0019 -0.0027 1450 PRO 102 CA 0.0172 0.0031 -0.0039 1451 PRO 102 C 0.0191 0.0022 -0.0032 1452 PRO 102 O 0.0213 0.0031 -0.0042 1453 PRO 102 CB 0.0188 0.0029 -0.0038 1454 PRO 102 CG 0.0180 0.0007 -0.0018 1455 PRO 102 CD 0.0149 0.0006 -0.0015 1456 PRO 102 HA 0.0167 0.0046 -0.0052 1457 PRO 102 HB2 0.0208 0.0029 -0.0040 1458 PRO 102 HB3 0.0181 0.0040 -0.0048 1459 PRO 102 HG2 0.0192 -0.0004 -0.0009 1460 PRO 102 HG3 0.0183 0.0006 -0.0017 1461 PRO 102 HD2 0.0145 -0.0009 -0.0001 1462 PRO 102 HD3 0.0137 0.0011 -0.0019 1463 ARG 103 N 0.0132 0.0005 0.0055 1464 ARG 103 CA 0.0124 0.0008 0.0058 1465 ARG 103 C 0.0136 0.0008 0.0048 1466 ARG 103 O 0.0148 0.0007 0.0038 1467 ARG 103 CB 0.0110 0.0023 0.0056 1468 ARG 103 CG 0.0112 0.0035 0.0041 1469 ARG 103 CD 0.0101 0.0049 0.0036 1470 ARG 103 NE 0.0103 0.0050 0.0034 1471 ARG 103 CZ 0.0093 0.0059 0.0033 1472 ARG 103 NH1 0.0079 0.0069 0.0035 1473 ARG 103 NH2 0.0097 0.0058 0.0031 1474 ARG 103 H 0.0140 0.0006 0.0047 1475 ARG 103 HA 0.0121 0.0001 0.0068 1476 ARG 103 HB2 0.0106 0.0026 0.0056 1477 ARG 103 HB3 0.0102 0.0022 0.0063 1478 ARG 103 HG2 0.0111 0.0035 0.0042 1479 ARG 103 HG3 0.0123 0.0033 0.0034 1480 ARG 103 HD2 0.0090 0.0051 0.0044 1481 ARG 103 HD3 0.0102 0.0057 0.0028 1482 ARG 103 HE 0.0112 0.0044 0.0032 1483 ARG 103 HH11 0.0077 0.0070 0.0037 1484 ARG 103 HH12 0.0072 0.0075 0.0035 1485 ARG 103 HH21 0.0106 0.0052 0.0029 1486 ARG 103 HH22 0.0090 0.0064 0.0030 1487 GLY 104 N 0.0149 0.0015 0.0061 1488 GLY 104 CA 0.0158 -0.0009 0.0050 1489 GLY 104 C 0.0148 -0.0019 0.0032 1490 GLY 104 O 0.0133 -0.0008 0.0027 1491 GLY 104 H 0.0155 0.0020 0.0072 1492 GLY 104 HA2 0.0156 -0.0013 0.0045 1493 GLY 104 HA3 0.0172 -0.0015 0.0059 1494 MET 105 N 0.0109 -0.0018 0.0027 1495 MET 105 CA 0.0109 -0.0015 0.0023 1496 MET 105 C 0.0111 -0.0004 0.0035 1497 MET 105 O 0.0111 -0.0003 0.0049 1498 MET 105 CB 0.0107 -0.0031 0.0022 1499 MET 105 CG 0.0105 -0.0040 0.0008 1500 MET 105 SD 0.0103 -0.0061 0.0007 1501 MET 105 CE 0.0103 -0.0059 0.0009 1502 MET 105 H 0.0108 -0.0028 0.0029 1503 MET 105 HA 0.0109 -0.0011 0.0013 1504 MET 105 HB2 0.0107 -0.0037 0.0032 1505 MET 105 HB3 0.0107 -0.0029 0.0022 1506 MET 105 HG2 0.0105 -0.0035 -0.0001 1507 MET 105 HG3 0.0105 -0.0040 0.0006 1508 MET 105 HE1 0.0102 -0.0069 0.0009 1509 MET 105 HE2 0.0104 -0.0054 0.0019 1510 MET 105 HE3 0.0104 -0.0052 0.0000 1511 TYR 106 N 0.0044 0.0044 -0.0013 1512 TYR 106 CA 0.0036 0.0043 -0.0019 1513 TYR 106 C 0.0036 0.0050 -0.0027 1514 TYR 106 O 0.0041 0.0057 -0.0028 1515 TYR 106 CB 0.0036 0.0042 -0.0018 1516 TYR 106 CG 0.0037 0.0035 -0.0011 1517 TYR 106 CD1 0.0031 0.0028 -0.0009 1518 TYR 106 CD2 0.0043 0.0036 -0.0005 1519 TYR 106 CE1 0.0031 0.0021 -0.0002 1520 TYR 106 CE2 0.0044 0.0030 0.0002 1521 TYR 106 CZ 0.0038 0.0022 0.0003 1522 TYR 106 OH 0.0039 0.0016 0.0010 1523 TYR 106 H 0.0047 0.0046 -0.0011 1524 TYR 106 HA 0.0032 0.0039 -0.0019 1525 TYR 106 HB2 0.0040 0.0046 -0.0019 1526 TYR 106 HB3 0.0031 0.0041 -0.0022 1527 TYR 106 HD1 0.0026 0.0027 -0.0013 1528 TYR 106 HD2 0.0047 0.0041 -0.0006 1529 TYR 106 HE1 0.0027 0.0016 -0.0001 1530 TYR 106 HE2 0.0048 0.0030 0.0006 1531 TYR 106 HH 0.0037 0.0013 0.0012 1532 SER 107 N 0.0018 0.0124 -0.0013 1533 SER 107 CA 0.0018 0.0124 -0.0013 1534 SER 107 C 0.0005 0.0140 -0.0017 1535 SER 107 O -0.0009 0.0146 -0.0008 1536 SER 107 CB 0.0017 0.0112 0.0003 1537 SER 107 OG 0.0002 0.0115 0.0017 1538 SER 107 H 0.0010 0.0125 -0.0005 1539 SER 107 HA 0.0028 0.0123 -0.0022 1540 SER 107 HB2 0.0017 0.0112 0.0003 1541 SER 107 HB3 0.0025 0.0102 0.0005 1542 SER 107 HG -0.0005 0.0123 0.0015 1543 SER 107 N 0.0018 0.0124 -0.0013 1544 SER 107 CA 0.0017 0.0124 -0.0012 1545 SER 107 C 0.0005 0.0141 -0.0018 1546 SER 107 O -0.0008 0.0149 -0.0013 1547 SER 107 CB 0.0012 0.0114 0.0006 1548 SER 107 OG 0.0012 0.0113 0.0008 1549 SER 107 H 0.0010 0.0125 -0.0005 1550 SER 107 HA 0.0027 0.0121 -0.0019 1551 SER 107 HB2 0.0019 0.0104 0.0010 1552 SER 107 HB3 0.0002 0.0118 0.0013 1553 SER 107 HG 0.0005 0.0122 0.0005 1554 TYR 108 N -0.0008 0.0164 -0.0056 1555 TYR 108 CA -0.0008 0.0144 -0.0069 1556 TYR 108 C 0.0018 0.0140 -0.0075 1557 TYR 108 O 0.0037 0.0142 -0.0076 1558 TYR 108 CB -0.0017 0.0125 -0.0080 1559 TYR 108 CG -0.0044 0.0122 -0.0078 1560 TYR 108 CD1 -0.0056 0.0137 -0.0067 1561 TYR 108 CD2 -0.0059 0.0105 -0.0088 1562 TYR 108 CE1 -0.0082 0.0134 -0.0066 1563 TYR 108 CE2 -0.0085 0.0103 -0.0086 1564 TYR 108 CZ -0.0096 0.0117 -0.0075 1565 TYR 108 OH -0.0121 0.0115 -0.0073 1566 TYR 108 H -0.0003 0.0162 -0.0057 1567 TYR 108 HA -0.0019 0.0146 -0.0066 1568 TYR 108 HB2 -0.0008 0.0126 -0.0080 1569 TYR 108 HB3 -0.0012 0.0112 -0.0089 1570 TYR 108 HD1 -0.0047 0.0148 -0.0061 1571 TYR 108 HD2 -0.0051 0.0095 -0.0095 1572 TYR 108 HE1 -0.0089 0.0144 -0.0058 1573 TYR 108 HE2 -0.0094 0.0091 -0.0092 1574 TYR 108 HH -0.0126 0.0102 -0.0081 1575 ARG 109 N 0.0025 0.0263 -0.0133 1576 ARG 109 CA 0.0075 0.0242 -0.0144 1577 ARG 109 C 0.0055 0.0201 -0.0117 1578 ARG 109 O 0.0028 0.0162 -0.0089 1579 ARG 109 CB 0.0125 0.0213 -0.0151 1580 ARG 109 CG 0.0178 0.0187 -0.0160 1581 ARG 109 CD 0.0225 0.0160 -0.0167 1582 ARG 109 NE 0.0280 0.0138 -0.0179 1583 ARG 109 CZ 0.0312 0.0088 -0.0169 1584 ARG 109 NH1 0.0297 0.0053 -0.0147 1585 ARG 109 NH2 0.0361 0.0072 -0.0181 1586 ARG 109 H 0.0031 0.0255 -0.0132 1587 ARG 109 HA 0.0090 0.0273 -0.0164 1588 ARG 109 HB2 0.0137 0.0241 -0.0168 1589 ARG 109 HB3 0.0111 0.0182 -0.0131 1590 ARG 109 HG2 0.0168 0.0157 -0.0142 1591 ARG 109 HG3 0.0193 0.0216 -0.0179 1592 ARG 109 HD2 0.0234 0.0189 -0.0183 1593 ARG 109 HD3 0.0212 0.0128 -0.0147 1594 ARG 109 HE 0.0291 0.0160 -0.0193 1595 ARG 109 HH11 0.0265 0.0063 -0.0139 1596 ARG 109 HH12 0.0319 0.0020 -0.0141 1597 ARG 109 HH21 0.0371 0.0095 -0.0196 1598 ARG 109 HH22 0.0382 0.0040 -0.0175 1599 THR 110 N 0.0060 0.0205 -0.0114 1600 THR 110 CA 0.0046 0.0190 -0.0099 1601 THR 110 C 0.0070 0.0182 -0.0106 1602 THR 110 O 0.0090 0.0198 -0.0125 1603 THR 110 CB 0.0017 0.0213 -0.0097 1604 THR 110 OG1 -0.0005 0.0224 -0.0092 1605 THR 110 CG2 -0.0000 0.0198 -0.0080 1606 THR 110 H 0.0070 0.0218 -0.0127 1607 THR 110 HA 0.0041 0.0171 -0.0085 1608 THR 110 HB 0.0023 0.0230 -0.0110 1609 THR 110 HG1 -0.0021 0.0237 -0.0092 1610 THR 110 HG21 -0.0021 0.0211 -0.0077 1611 THR 110 HG22 0.0013 0.0194 -0.0084 1612 THR 110 HG23 -0.0004 0.0178 -0.0066 1613 THR 110 N 0.0060 0.0205 -0.0114 1614 THR 110 CA 0.0046 0.0191 -0.0099 1615 THR 110 C 0.0071 0.0182 -0.0106 1616 THR 110 O 0.0091 0.0197 -0.0125 1617 THR 110 CB 0.0017 0.0213 -0.0097 1618 THR 110 OG1 0.0026 0.0240 -0.0118 1619 THR 110 CG2 -0.0008 0.0224 -0.0091 1620 THR 110 H 0.0070 0.0218 -0.0127 1621 THR 110 HA 0.0041 0.0172 -0.0085 1622 THR 110 HB 0.0007 0.0203 -0.0087 1623 THR 110 HG1 0.0010 0.0254 -0.0118 1624 THR 110 HG21 -0.0016 0.0246 -0.0100 1625 THR 110 HG22 -0.0026 0.0214 -0.0076 1626 THR 110 HG23 0.0001 0.0218 -0.0092 1627 LYS 111 N 0.0116 0.0205 -0.0141 1628 LYS 111 CA 0.0139 0.0192 -0.0140 1629 LYS 111 C 0.0098 0.0171 -0.0102 1630 LYS 111 O 0.0062 0.0157 -0.0072 1631 LYS 111 CB 0.0198 0.0156 -0.0136 1632 LYS 111 CG 0.0199 0.0108 -0.0093 1633 LYS 111 CD 0.0259 0.0075 -0.0091 1634 LYS 111 CE 0.0262 0.0027 -0.0049 1635 LYS 111 NZ 0.0319 -0.0008 -0.0045 1636 LYS 111 H 0.0099 0.0186 -0.0116 1637 LYS 111 HA 0.0142 0.0219 -0.0167 1638 LYS 111 HB2 0.0213 0.0153 -0.0140 1639 LYS 111 HB3 0.0222 0.0168 -0.0158 1640 LYS 111 HG2 0.0186 0.0110 -0.0089 1641 LYS 111 HG3 0.0175 0.0096 -0.0070 1642 LYS 111 HD2 0.0272 0.0071 -0.0095 1643 LYS 111 HD3 0.0284 0.0088 -0.0115 1644 LYS 111 HE2 0.0251 0.0030 -0.0047 1645 LYS 111 HE3 0.0235 0.0015 -0.0025 1646 LYS 111 HZ1 0.0346 0.0006 -0.0070 1647 LYS 111 HZ2 0.0322 -0.0031 -0.0025 1648 LYS 111 HZ3 0.0324 -0.0019 -0.0037 1649 VAL 112 N 0.0088 0.0170 -0.0077 1650 VAL 112 CA 0.0067 0.0149 -0.0050 1651 VAL 112 C 0.0098 0.0128 -0.0032 1652 VAL 112 O 0.0121 0.0134 -0.0043 1653 VAL 112 CB 0.0039 0.0160 -0.0057 1654 VAL 112 CG1 0.0018 0.0137 -0.0028 1655 VAL 112 CG2 0.0011 0.0183 -0.0077 1656 VAL 112 H 0.0100 0.0178 -0.0088 1657 VAL 112 HA 0.0053 0.0142 -0.0040 1658 VAL 112 HB 0.0053 0.0166 -0.0066 1659 VAL 112 HG11 0.0001 0.0144 -0.0033 1660 VAL 112 HG12 0.0037 0.0123 -0.0016 1661 VAL 112 HG13 0.0004 0.0131 -0.0019 1662 VAL 112 HG21 -0.0008 0.0188 -0.0080 1663 VAL 112 HG22 -0.0003 0.0177 -0.0069 1664 VAL 112 HG23 0.0025 0.0197 -0.0095 1665 GLU 113 N 0.0134 0.0127 -0.0038 1666 GLU 113 CA 0.0181 0.0091 -0.0004 1667 GLU 113 C 0.0137 0.0078 0.0071 1668 GLU 113 O 0.0113 0.0066 0.0122 1669 GLU 113 CB 0.0257 0.0052 0.0010 1670 GLU 113 CG 0.0302 0.0012 0.0055 1671 GLU 113 CD 0.0374 -0.0028 0.0074 1672 GLU 113 OE1 0.0418 -0.0024 0.0022 1673 GLU 113 OE2 0.0386 -0.0063 0.0142 1674 GLU 113 H 0.0114 0.0122 -0.0007 1675 GLU 113 HA 0.0193 0.0101 -0.0038 1676 GLU 113 HB2 0.0288 0.0059 -0.0039 1677 GLU 113 HB3 0.0246 0.0044 0.0039 1678 GLU 113 HG2 0.0270 0.0005 0.0103 1679 GLU 113 HG3 0.0316 0.0019 0.0025 1680 ASN 114 N 0.0071 0.0128 0.0134 1681 ASN 114 CA 0.0022 0.0124 0.0211 1682 ASN 114 C -0.0016 0.0088 0.0157 1683 ASN 114 O -0.0008 0.0102 0.0190 1684 ASN 114 CB 0.0085 0.0182 0.0292 1685 ASN 114 CG 0.0119 0.0217 0.0347 1686 ASN 114 OD1 0.0070 0.0194 0.0360 1687 ASN 114 ND2 0.0203 0.0272 0.0382 1688 ASN 114 H 0.0052 0.0120 0.0142 1689 ASN 114 HA -0.0033 0.0105 0.0248 1690 ASN 114 HB2 0.0141 0.0202 0.0258 1691 ASN 114 HB3 0.0049 0.0178 0.0344 1692 ASN 114 HD21 0.0226 0.0294 0.0414 1693 ASN 114 HD22 0.0235 0.0287 0.0373 1694 ASN 115 N 0.0014 0.0104 0.0107 1695 ASN 115 CA -0.0009 0.0080 0.0075 1696 ASN 115 C -0.0002 0.0095 0.0037 1697 ASN 115 O -0.0020 0.0076 0.0010 1698 ASN 115 CB -0.0032 0.0049 0.0096 1699 ASN 115 CG -0.0060 0.0018 0.0071 1700 ASN 115 OD1 -0.0067 0.0013 0.0054 1701 ASN 115 ND2 -0.0077 -0.0001 0.0067 1702 ASN 115 H 0.0019 0.0109 0.0107 1703 ASN 115 HA -0.0016 0.0073 0.0065 1704 ASN 115 HB2 -0.0033 0.0044 0.0125 1705 ASN 115 HB3 -0.0028 0.0054 0.0096 1706 ASN 115 HD21 -0.0071 0.0004 0.0079 1707 ASN 115 HD22 -0.0093 -0.0019 0.0053 1708 ASN 115 N 0.0014 0.0104 0.0107 1709 ASN 115 CA -0.0009 0.0080 0.0075 1710 ASN 115 C -0.0002 0.0095 0.0036 1711 ASN 115 O -0.0020 0.0076 0.0009 1712 ASN 115 CB -0.0033 0.0049 0.0095 1713 ASN 115 CG -0.0046 0.0027 0.0126 1714 ASN 115 OD1 -0.0048 0.0026 0.0122 1715 ASN 115 ND2 -0.0057 0.0010 0.0158 1716 ASN 115 H 0.0019 0.0109 0.0107 1717 ASN 115 HA -0.0016 0.0073 0.0064 1718 ASN 115 HB2 -0.0025 0.0056 0.0110 1719 ASN 115 HB3 -0.0047 0.0035 0.0072 1720 ASN 115 HD21 -0.0055 0.0011 0.0160 1721 ASN 115 HD22 -0.0065 -0.0003 0.0177 1722 THR 116 N 0.0010 0.0090 0.0018 1723 THR 116 CA 0.0002 0.0097 0.0008 1724 THR 116 C 0.0010 0.0120 -0.0014 1725 THR 116 O 0.0033 0.0128 -0.0016 1726 THR 116 CB 0.0016 0.0088 0.0022 1727 THR 116 OG1 0.0005 0.0066 0.0042 1728 THR 116 CG2 0.0010 0.0096 0.0011 1729 THR 116 H 0.0028 0.0090 0.0023 1730 THR 116 HA -0.0019 0.0093 0.0007 1731 THR 116 HB 0.0036 0.0090 0.0025 1732 THR 116 HG1 0.0012 0.0061 0.0050 1733 THR 116 HG21 0.0014 0.0088 0.0021 1734 THR 116 HG22 0.0022 0.0110 0.0000 1735 THR 116 HG23 -0.0010 0.0097 0.0005 1736 VAL 117 N -0.0027 0.0114 -0.0041 1737 VAL 117 CA -0.0024 0.0134 -0.0054 1738 VAL 117 C -0.0016 0.0132 -0.0053 1739 VAL 117 O -0.0028 0.0123 -0.0047 1740 VAL 117 CB -0.0047 0.0145 -0.0063 1741 VAL 117 CG1 -0.0045 0.0165 -0.0077 1742 VAL 117 CG2 -0.0055 0.0146 -0.0063 1743 VAL 117 H -0.0041 0.0110 -0.0038 1744 VAL 117 HA -0.0012 0.0141 -0.0059 1745 VAL 117 HB -0.0059 0.0139 -0.0058 1746 VAL 117 HG11 -0.0059 0.0173 -0.0082 1747 VAL 117 HG12 -0.0043 0.0165 -0.0076 1748 VAL 117 HG13 -0.0031 0.0171 -0.0081 1749 VAL 117 HG21 -0.0069 0.0154 -0.0069 1750 VAL 117 HG22 -0.0043 0.0151 -0.0067 1751 VAL 117 HG23 -0.0059 0.0133 -0.0054 1752 PHE 118 N 0.0023 0.0133 -0.0033 1753 PHE 118 CA 0.0044 0.0116 -0.0029 1754 PHE 118 C 0.0047 0.0145 -0.0057 1755 PHE 118 O 0.0059 0.0171 -0.0086 1756 PHE 118 CB 0.0089 0.0091 -0.0032 1757 PHE 118 CG 0.0091 0.0056 -0.0002 1758 PHE 118 CD1 0.0091 0.0026 0.0025 1759 PHE 118 CD2 0.0093 0.0054 -0.0000 1760 PHE 118 CE1 0.0093 -0.0005 0.0053 1761 PHE 118 CE2 0.0094 0.0023 0.0027 1762 PHE 118 CZ 0.0094 -0.0007 0.0054 1763 PHE 118 H 0.0036 0.0145 -0.0051 1764 PHE 118 HA 0.0028 0.0102 -0.0008 1765 PHE 118 HB2 0.0104 0.0104 -0.0051 1766 PHE 118 HB3 0.0105 0.0085 -0.0034 1767 PHE 118 HD1 0.0090 0.0028 0.0025 1768 PHE 118 HD2 0.0093 0.0074 -0.0018 1769 PHE 118 HE1 0.0093 -0.0025 0.0071 1770 PHE 118 HE2 0.0095 0.0021 0.0028 1771 PHE 118 HZ 0.0094 -0.0028 0.0073 1772 VAL 119 N -0.0013 0.0101 -0.0045 1773 VAL 119 CA -0.0014 0.0128 -0.0056 1774 VAL 119 C 0.0001 0.0117 -0.0056 1775 VAL 119 O -0.0005 0.0091 -0.0043 1776 VAL 119 CB -0.0050 0.0146 -0.0053 1777 VAL 119 CG1 -0.0064 0.0159 -0.0055 1778 VAL 119 CG2 -0.0073 0.0123 -0.0037 1779 VAL 119 H -0.0025 0.0085 -0.0035 1780 VAL 119 HA -0.0000 0.0144 -0.0067 1781 VAL 119 HB -0.0049 0.0164 -0.0061 1782 VAL 119 HG11 -0.0088 0.0169 -0.0053 1783 VAL 119 HG12 -0.0050 0.0176 -0.0066 1784 VAL 119 HG13 -0.0063 0.0142 -0.0048 1785 VAL 119 HG21 -0.0096 0.0134 -0.0036 1786 VAL 119 HG22 -0.0072 0.0104 -0.0030 1787 VAL 119 HG23 -0.0066 0.0117 -0.0037 1788 ASP 120 N 0.0021 0.0116 -0.0053 1789 ASP 120 CA 0.0042 0.0095 -0.0056 1790 ASP 120 C 0.0011 0.0118 -0.0050 1791 ASP 120 O 0.0016 0.0160 -0.0067 1792 ASP 120 CB 0.0092 0.0107 -0.0084 1793 ASP 120 CG 0.0114 0.0091 -0.0089 1794 ASP 120 OD1 0.0092 0.0067 -0.0070 1795 ASP 120 OD2 0.0154 0.0102 -0.0112 1796 ASP 120 H 0.0028 0.0144 -0.0067 1797 ASP 120 HA 0.0042 0.0060 -0.0044 1798 ASP 120 HB2 0.0111 0.0090 -0.0087 1799 ASP 120 HB3 0.0091 0.0142 -0.0097 1800 TYR 121 N -0.0075 0.0062 -0.0039 1801 TYR 121 CA -0.0094 0.0073 -0.0030 1802 TYR 121 C -0.0070 0.0064 -0.0045 1803 TYR 121 O -0.0083 0.0075 -0.0042 1804 TYR 121 CB -0.0120 0.0053 0.0007 1805 TYR 121 CG -0.0104 0.0010 0.0022 1806 TYR 121 CD1 -0.0095 -0.0014 0.0031 1807 TYR 121 CD2 -0.0097 -0.0005 0.0027 1808 TYR 121 CE1 -0.0079 -0.0053 0.0045 1809 TYR 121 CE2 -0.0082 -0.0044 0.0040 1810 TYR 121 CZ -0.0073 -0.0068 0.0049 1811 TYR 121 OH -0.0058 -0.0107 0.0063 1812 TYR 121 H -0.0076 0.0042 -0.0024 1813 TYR 121 HA -0.0107 0.0100 -0.0037 1814 TYR 121 HB2 -0.0135 0.0064 0.0012 1815 TYR 121 HB3 -0.0135 0.0058 0.0016 1816 TYR 121 HD1 -0.0099 -0.0004 0.0028 1817 TYR 121 HD2 -0.0104 0.0011 0.0021 1818 TYR 121 HE1 -0.0073 -0.0070 0.0051 1819 TYR 121 HE2 -0.0078 -0.0054 0.0044 1820 TYR 121 HH -0.0055 -0.0111 0.0064 1821 ALA 122 N 0.0006 0.0090 -0.0056 1822 ALA 122 CA 0.0030 0.0097 -0.0069 1823 ALA 122 C 0.0055 0.0140 -0.0095 1824 ALA 122 O 0.0078 0.0150 -0.0108 1825 ALA 122 CB 0.0063 0.0052 -0.0068 1826 ALA 122 H 0.0023 0.0074 -0.0058 1827 ALA 122 HA 0.0008 0.0102 -0.0061 1828 ALA 122 HB1 0.0075 0.0056 -0.0074 1829 ALA 122 HB2 0.0046 0.0025 -0.0051 1830 ALA 122 HB3 0.0088 0.0049 -0.0077 1831 ALA 123 N 0.0025 0.0148 -0.0075 1832 ALA 123 CA 0.0051 0.0183 -0.0083 1833 ALA 123 C 0.0029 0.0214 -0.0081 1834 ALA 123 O 0.0041 0.0221 -0.0084 1835 ALA 123 CB 0.0090 0.0169 -0.0091 1836 ALA 123 H 0.0014 0.0139 -0.0072 1837 ALA 123 HA 0.0055 0.0196 -0.0085 1838 ALA 123 HB1 0.0112 0.0187 -0.0097 1839 ALA 123 HB2 0.0096 0.0141 -0.0090 1840 ALA 123 HB3 0.0088 0.0171 -0.0090 1841 ILE 124 N 0.0001 0.0146 -0.0035 1842 ILE 124 CA -0.0002 0.0153 -0.0033 1843 ILE 124 C 0.0003 0.0185 -0.0013 1844 ILE 124 O -0.0008 0.0205 -0.0007 1845 ILE 124 CB -0.0034 0.0149 -0.0050 1846 ILE 124 CG1 -0.0038 0.0117 -0.0069 1847 ILE 124 CG2 -0.0037 0.0158 -0.0046 1848 ILE 124 CD1 -0.0071 0.0113 -0.0087 1849 ILE 124 H -0.0016 0.0154 -0.0039 1850 ILE 124 HA 0.0014 0.0139 -0.0033 1851 ILE 124 HB -0.0050 0.0163 -0.0050 1852 ILE 124 HG12 -0.0027 0.0105 -0.0071 1853 ILE 124 HG13 -0.0028 0.0110 -0.0069 1854 ILE 124 HG21 -0.0055 0.0151 -0.0058 1855 ILE 124 HG22 -0.0041 0.0180 -0.0036 1856 ILE 124 HG23 -0.0018 0.0150 -0.0042 1857 ILE 124 HD11 -0.0071 0.0092 -0.0099 1858 ILE 124 HD12 -0.0082 0.0125 -0.0086 1859 ILE 124 HD13 -0.0081 0.0120 -0.0088 1860 THR 125 N 0.0001 0.0164 -0.0003 1861 THR 125 CA 0.0002 0.0166 0.0027 1862 THR 125 C 0.0010 0.0162 0.0032 1863 THR 125 O 0.0027 0.0151 0.0020 1864 THR 125 CB 0.0019 0.0158 0.0042 1865 THR 125 OG1 0.0010 0.0163 0.0040 1866 THR 125 CG2 0.0023 0.0158 0.0071 1867 THR 125 OXT 0.0000 0.0170 0.0050 1868 THR 125 H 0.0015 0.0155 -0.0009 1869 THR 125 HA -0.0014 0.0176 0.0034 1870 THR 125 HB 0.0035 0.0148 0.0033 1871 THR 125 HG1 0.0003 0.0166 0.0025 1872 THR 125 HG21 0.0029 0.0156 0.0082 1873 THR 125 HG22 0.0035 0.0151 0.0073 1874 THR 125 HG23 0.0009 0.0167 0.0079