1 ALA 8 N 0.0828 0.0719 0.0676 2 ALA 8 CA 0.0910 0.0842 0.0717 3 ALA 8 C 0.0745 0.0634 0.0604 4 ALA 8 O 0.0819 0.0679 0.0691 5 ALA 8 CB 0.1000 0.1247 0.0558 6 ALA 8 HA 0.1036 0.0807 0.0951 7 ALA 8 HB1 0.1052 0.1322 0.0586 8 ALA 8 HB2 0.1125 0.1373 0.0667 9 ALA 8 HB3 0.0878 0.1286 0.0327 10 ASP 9 N 0.0395 0.0351 0.0252 11 ASP 9 CA 0.0317 0.0228 0.0233 12 ASP 9 C 0.0242 0.0117 0.0212 13 ASP 9 O 0.0147 0.0132 0.0118 14 ASP 9 CB 0.0240 0.0276 0.0142 15 ASP 9 CG 0.0185 0.0152 0.0145 16 ASP 9 OD1 0.0240 0.0057 0.0235 17 ASP 9 OD2 0.0088 0.0149 0.0057 18 ASP 9 H 0.0370 0.0369 0.0221 19 ASP 9 HA 0.0370 0.0179 0.0302 20 ASP 9 HB2 0.0289 0.0359 0.0151 21 ASP 9 HB3 0.0176 0.0306 0.0071 22 PHE 10 N 0.0088 0.0226 0.0240 23 PHE 10 CA 0.0033 0.0140 0.0234 24 PHE 10 C 0.0007 0.0104 0.0215 25 PHE 10 O 0.0027 0.0122 0.0257 26 PHE 10 CB 0.0026 0.0099 0.0326 27 PHE 10 CG 0.0029 0.0100 0.0336 28 PHE 10 CD1 -0.0011 0.0051 0.0288 29 PHE 10 CD2 0.0072 0.0149 0.0396 30 PHE 10 CE1 -0.0010 0.0051 0.0298 31 PHE 10 CE2 0.0073 0.0148 0.0406 32 PHE 10 CZ 0.0033 0.0099 0.0357 33 PHE 10 H 0.0108 0.0239 0.0296 34 PHE 10 HA 0.0016 0.0130 0.0183 35 PHE 10 HB2 0.0053 0.0126 0.0377 36 PHE 10 HB3 -0.0008 0.0042 0.0332 37 PHE 10 HD1 -0.0040 0.0018 0.0248 38 PHE 10 HD2 0.0099 0.0182 0.0430 39 PHE 10 HE1 -0.0038 0.0017 0.0264 40 PHE 10 HE2 0.0102 0.0182 0.0446 41 PHE 10 HZ 0.0034 0.0099 0.0364 42 ILE 11 N -0.0006 0.0002 0.0105 43 ILE 11 CA -0.0041 -0.0036 0.0085 44 ILE 11 C -0.0048 -0.0078 0.0091 45 ILE 11 O -0.0051 -0.0067 0.0085 46 ILE 11 CB -0.0079 -0.0011 0.0045 47 ILE 11 CG1 -0.0073 0.0032 0.0039 48 ILE 11 CG2 -0.0116 -0.0052 0.0025 49 ILE 11 CD1 -0.0066 0.0015 0.0049 50 ILE 11 H -0.0009 0.0014 0.0099 51 ILE 11 HA -0.0036 -0.0051 0.0094 52 ILE 11 HB -0.0084 0.0005 0.0037 53 ILE 11 HG12 -0.0049 0.0057 0.0052 54 ILE 11 HG13 -0.0097 0.0048 0.0014 55 ILE 11 HG21 -0.0138 -0.0036 0.0002 56 ILE 11 HG22 -0.0125 -0.0071 0.0023 57 ILE 11 HG23 -0.0108 -0.0075 0.0038 58 ILE 11 HD11 -0.0063 0.0044 0.0044 59 ILE 11 HD12 -0.0089 -0.0011 0.0037 60 ILE 11 HD13 -0.0042 -0.0001 0.0075 61 GLY 12 N -0.0049 -0.0057 0.0060 62 GLY 12 CA -0.0046 -0.0081 0.0061 63 GLY 12 C -0.0063 -0.0087 0.0042 64 GLY 12 O -0.0078 -0.0085 0.0026 65 GLY 12 H -0.0050 -0.0060 0.0058 66 GLY 12 HA2 -0.0036 -0.0078 0.0071 67 GLY 12 HA3 -0.0042 -0.0096 0.0063 68 ILE 13 N -0.0031 -0.0085 0.0022 69 ILE 13 CA -0.0030 -0.0087 0.0017 70 ILE 13 C -0.0023 -0.0097 0.0014 71 ILE 13 O -0.0022 -0.0101 0.0011 72 ILE 13 CB -0.0032 -0.0083 0.0023 73 ILE 13 CG1 -0.0026 -0.0084 0.0034 74 ILE 13 CG2 -0.0040 -0.0073 0.0023 75 ILE 13 CD1 -0.0026 -0.0081 0.0039 76 ILE 13 H -0.0027 -0.0086 0.0027 77 ILE 13 HA -0.0035 -0.0086 0.0010 78 ILE 13 HB -0.0031 -0.0085 0.0019 79 ILE 13 HG12 -0.0026 -0.0081 0.0038 80 ILE 13 HG13 -0.0021 -0.0090 0.0033 81 ILE 13 HG21 -0.0041 -0.0070 0.0027 82 ILE 13 HG22 -0.0043 -0.0072 0.0016 83 ILE 13 HG23 -0.0040 -0.0070 0.0027 84 ILE 13 HD11 -0.0021 -0.0083 0.0046 85 ILE 13 HD12 -0.0025 -0.0084 0.0035 86 ILE 13 HD13 -0.0030 -0.0075 0.0040 87 GLY 14 N 0.0005 -0.0013 0.0028 88 GLY 14 CA 0.0039 0.0000 0.0015 89 GLY 14 C 0.0056 0.0006 -0.0000 90 GLY 14 O 0.0042 0.0001 0.0001 91 GLY 14 H -0.0006 -0.0019 0.0014 92 GLY 14 HA2 0.0039 -0.0001 -0.0004 93 GLY 14 HA3 0.0052 0.0007 0.0035 94 LYS 15 N 0.0115 0.0081 -0.0017 95 LYS 15 CA 0.0109 0.0096 -0.0045 96 LYS 15 C 0.0136 0.0079 0.0003 97 LYS 15 O 0.0182 0.0074 0.0047 98 LYS 15 CB 0.0147 0.0146 -0.0094 99 LYS 15 CG 0.0120 0.0169 -0.0150 100 LYS 15 CD 0.0163 0.0219 -0.0195 101 LYS 15 CE 0.0179 0.0237 -0.0210 102 LYS 15 NZ 0.0222 0.0286 -0.0253 103 LYS 15 H 0.0149 0.0100 -0.0020 104 LYS 15 HA 0.0063 0.0085 -0.0063 105 LYS 15 HB2 0.0191 0.0157 -0.0077 106 LYS 15 HB3 0.0147 0.0155 -0.0107 107 LYS 15 HG2 0.0077 0.0161 -0.0171 108 LYS 15 HG3 0.0117 0.0160 -0.0139 109 LYS 15 HD2 0.0141 0.0233 -0.0233 110 LYS 15 HD3 0.0204 0.0229 -0.0178 111 LYS 15 HE2 0.0201 0.0224 -0.0172 112 LYS 15 HE3 0.0139 0.0228 -0.0228 113 LYS 15 HZ1 0.0258 0.0294 -0.0239 114 LYS 15 HZ2 0.0233 0.0295 -0.0258 115 LYS 15 HZ3 0.0201 0.0298 -0.0289 116 LEU 16 N 0.0102 0.0075 -0.0005 117 LEU 16 CA 0.0106 0.0054 0.0012 118 LEU 16 C 0.0138 0.0061 0.0015 119 LEU 16 O 0.0155 0.0044 0.0032 120 LEU 16 CB 0.0079 0.0050 0.0008 121 LEU 16 CG 0.0080 0.0030 0.0023 122 LEU 16 CD1 0.0075 0.0003 0.0043 123 LEU 16 CD2 0.0056 0.0034 0.0015 124 LEU 16 H 0.0085 0.0082 -0.0015 125 LEU 16 HA 0.0107 0.0038 0.0024 126 LEU 16 HB2 0.0059 0.0045 0.0007 127 LEU 16 HB3 0.0077 0.0067 -0.0005 128 LEU 16 HG 0.0102 0.0033 0.0027 129 LEU 16 HD11 0.0077 -0.0009 0.0053 130 LEU 16 HD12 0.0091 0.0001 0.0049 131 LEU 16 HD13 0.0053 -0.0001 0.0040 132 LEU 16 HD21 0.0058 0.0022 0.0024 133 LEU 16 HD22 0.0034 0.0029 0.0013 134 LEU 16 HD23 0.0059 0.0052 0.0002 135 ASP 17 N 0.0153 0.0114 -0.0051 136 ASP 17 CA 0.0191 0.0131 -0.0046 137 ASP 17 C 0.0217 0.0133 -0.0031 138 ASP 17 O 0.0250 0.0144 -0.0023 139 ASP 17 CB 0.0197 0.0158 -0.0078 140 ASP 17 CG 0.0177 0.0170 -0.0108 141 ASP 17 OD1 0.0143 0.0158 -0.0114 142 ASP 17 OD2 0.0194 0.0193 -0.0126 143 ASP 17 H 0.0141 0.0123 -0.0070 144 ASP 17 HA 0.0196 0.0123 -0.0032 145 ASP 17 HB2 0.0223 0.0170 -0.0076 146 ASP 17 HB3 0.0190 0.0156 -0.0080 147 ASP 18 N 0.0162 0.0105 -0.0024 148 ASP 18 CA 0.0189 0.0101 -0.0017 149 ASP 18 C 0.0199 0.0074 -0.0003 150 ASP 18 O 0.0223 0.0070 0.0004 151 ASP 18 CB 0.0189 0.0104 -0.0018 152 ASP 18 CG 0.0183 0.0131 -0.0032 153 ASP 18 OD1 0.0187 0.0150 -0.0040 154 ASP 18 OD2 0.0175 0.0133 -0.0034 155 ASP 18 H 0.0149 0.0106 -0.0027 156 ASP 18 HA 0.0202 0.0114 -0.0021 157 ASP 18 HB2 0.0175 0.0092 -0.0015 158 ASP 18 HB3 0.0207 0.0100 -0.0013 159 PHE 19 N 0.0132 -0.0003 0.0006 160 PHE 19 CA 0.0131 0.0002 0.0025 161 PHE 19 C 0.0147 0.0016 0.0028 162 PHE 19 O 0.0155 0.0019 0.0015 163 PHE 19 CB 0.0119 -0.0007 0.0027 164 PHE 19 CG 0.0102 -0.0021 0.0027 165 PHE 19 CD1 0.0093 -0.0023 0.0044 166 PHE 19 CD2 0.0096 -0.0031 0.0010 167 PHE 19 CE1 0.0077 -0.0036 0.0044 168 PHE 19 CE2 0.0080 -0.0044 0.0010 169 PHE 19 CZ 0.0071 -0.0046 0.0027 170 PHE 19 H 0.0134 -0.0004 -0.0004 171 PHE 19 HA 0.0127 0.0002 0.0036 172 PHE 19 HB2 0.0122 -0.0007 0.0016 173 PHE 19 HB3 0.0119 -0.0003 0.0040 174 PHE 19 HD1 0.0097 -0.0017 0.0056 175 PHE 19 HD2 0.0102 -0.0029 -0.0002 176 PHE 19 HE1 0.0071 -0.0038 0.0056 177 PHE 19 HE2 0.0076 -0.0051 -0.0002 178 PHE 19 HZ 0.0060 -0.0055 0.0027 179 PRO 20 N 0.0123 0.0037 -0.0010 180 PRO 20 CA 0.0142 0.0045 -0.0005 181 PRO 20 C 0.0140 0.0046 0.0010 182 PRO 20 O 0.0127 0.0041 0.0024 183 PRO 20 CB 0.0153 0.0051 0.0006 184 PRO 20 CG 0.0142 0.0046 -0.0001 185 PRO 20 CD 0.0121 0.0037 -0.0002 186 PRO 20 HA 0.0149 0.0047 -0.0017 187 PRO 20 HB2 0.0153 0.0052 0.0021 188 PRO 20 HB3 0.0166 0.0056 0.0001 189 PRO 20 HG2 0.0144 0.0047 0.0010 190 PRO 20 HG3 0.0147 0.0047 -0.0014 191 PRO 20 HD2 0.0115 0.0035 0.0011 192 PRO 20 HD3 0.0114 0.0033 -0.0012 193 VAL 21 N 0.0132 0.0074 0.0028 194 VAL 21 CA 0.0122 0.0058 0.0026 195 VAL 21 C 0.0135 0.0046 0.0041 196 VAL 21 O 0.0148 0.0056 0.0049 197 VAL 21 CB 0.0112 0.0068 0.0014 198 VAL 21 CG1 0.0105 0.0053 0.0014 199 VAL 21 CG2 0.0098 0.0076 -0.0001 200 VAL 21 H 0.0132 0.0087 0.0022 201 VAL 21 HA 0.0113 0.0048 0.0023 202 VAL 21 HB 0.0120 0.0081 0.0015 203 VAL 21 HG11 0.0096 0.0058 0.0005 204 VAL 21 HG12 0.0115 0.0052 0.0022 205 VAL 21 HG13 0.0100 0.0039 0.0016 206 VAL 21 HG21 0.0091 0.0082 -0.0009 207 VAL 21 HG22 0.0089 0.0064 -0.0003 208 VAL 21 HG23 0.0103 0.0086 -0.0001 209 GLY 22 N 0.0102 0.0012 0.0029 210 GLY 22 CA 0.0093 0.0032 0.0039 211 GLY 22 C 0.0071 0.0030 0.0052 212 GLY 22 O 0.0062 0.0046 0.0061 213 GLY 22 H 0.0106 0.0005 0.0026 214 GLY 22 HA2 0.0096 0.0036 0.0038 215 GLY 22 HA3 0.0098 0.0044 0.0038 216 ILE 23 N 0.0085 0.0076 0.0047 217 ILE 23 CA 0.0067 0.0073 0.0066 218 ILE 23 C 0.0035 0.0048 0.0064 219 ILE 23 O 0.0030 0.0029 0.0038 220 ILE 23 CB 0.0080 0.0075 0.0052 221 ILE 23 CG1 0.0112 0.0100 0.0054 222 ILE 23 CG2 0.0060 0.0070 0.0070 223 ILE 23 CD1 0.0125 0.0107 0.0049 224 ILE 23 H 0.0085 0.0065 0.0027 225 ILE 23 HA 0.0066 0.0085 0.0088 226 ILE 23 HB 0.0081 0.0063 0.0030 227 ILE 23 HG12 0.0111 0.0112 0.0076 228 ILE 23 HG13 0.0124 0.0100 0.0038 229 ILE 23 HG21 0.0069 0.0072 0.0061 230 ILE 23 HG22 0.0041 0.0053 0.0067 231 ILE 23 HG23 0.0058 0.0081 0.0093 232 ILE 23 HD11 0.0146 0.0121 0.0046 233 ILE 23 HD12 0.0121 0.0093 0.0030 234 ILE 23 HD13 0.0115 0.0110 0.0068 235 PRO 24 N -0.0008 0.0056 0.0070 236 PRO 24 CA -0.0019 0.0043 0.0070 237 PRO 24 C -0.0027 0.0033 0.0072 238 PRO 24 O -0.0030 0.0038 0.0078 239 PRO 24 CB -0.0027 0.0049 0.0083 240 PRO 24 CG -0.0017 0.0064 0.0084 241 PRO 24 CD -0.0009 0.0070 0.0080 242 PRO 24 HA -0.0015 0.0037 0.0063 243 PRO 24 HB2 -0.0034 0.0050 0.0090 244 PRO 24 HB3 -0.0030 0.0043 0.0082 245 PRO 24 HG2 -0.0022 0.0070 0.0093 246 PRO 24 HG3 -0.0012 0.0063 0.0079 247 PRO 24 HD2 -0.0013 0.0074 0.0087 248 PRO 24 HD3 -0.0000 0.0077 0.0076 249 LYS 25 N 0.0004 0.0027 0.0046 250 LYS 25 CA -0.0009 0.0011 0.0045 251 LYS 25 C -0.0027 -0.0007 0.0049 252 LYS 25 O -0.0026 -0.0015 0.0040 253 LYS 25 CB 0.0002 0.0001 0.0024 254 LYS 25 CG 0.0018 0.0016 0.0020 255 LYS 25 CD 0.0010 0.0024 0.0037 256 LYS 25 CE 0.0026 0.0045 0.0038 257 LYS 25 NZ 0.0028 0.0042 0.0033 258 LYS 25 H 0.0006 0.0021 0.0038 259 LYS 25 HA -0.0013 0.0019 0.0056 260 LYS 25 HB2 0.0008 -0.0004 0.0013 261 LYS 25 HB3 -0.0008 -0.0012 0.0023 262 LYS 25 HG2 0.0028 0.0029 0.0021 263 LYS 25 HG3 0.0025 0.0009 0.0007 264 LYS 25 HD2 0.0004 0.0013 0.0033 265 LYS 25 HD3 0.0000 0.0027 0.0051 266 LYS 25 HE2 0.0022 0.0057 0.0053 267 LYS 25 HE3 0.0039 0.0050 0.0029 268 LYS 25 HZ1 0.0037 0.0054 0.0034 269 LYS 25 HZ2 0.0031 0.0031 0.0020 270 LYS 25 HZ3 0.0016 0.0038 0.0042 271 LYS 26 N -0.0058 0.0015 0.0008 272 LYS 26 CA -0.0070 0.0001 0.0012 273 LYS 26 C -0.0073 -0.0017 0.0003 274 LYS 26 O -0.0074 -0.0019 0.0004 275 LYS 26 CB -0.0083 0.0006 0.0031 276 LYS 26 CG -0.0096 -0.0004 0.0039 277 LYS 26 CD -0.0105 0.0007 0.0057 278 LYS 26 CE -0.0106 0.0018 0.0066 279 LYS 26 NZ -0.0120 0.0019 0.0084 280 LYS 26 H -0.0060 0.0019 0.0013 281 LYS 26 HA -0.0069 -0.0001 0.0010 282 LYS 26 HB2 -0.0079 0.0019 0.0035 283 LYS 26 HB3 -0.0085 0.0005 0.0033 284 LYS 26 HG2 -0.0102 -0.0015 0.0039 285 LYS 26 HG3 -0.0094 -0.0007 0.0034 286 LYS 26 HD2 -0.0114 -0.0001 0.0063 287 LYS 26 HD3 -0.0100 0.0016 0.0058 288 LYS 26 HE2 -0.0098 0.0030 0.0066 289 LYS 26 HE3 -0.0106 0.0012 0.0061 290 LYS 26 HZ1 -0.0123 0.0020 0.0087 291 LYS 26 HZ2 -0.0119 0.0030 0.0090 292 LYS 26 HZ3 -0.0127 0.0010 0.0085 293 VAL 27 N -0.0077 -0.0055 -0.0016 294 VAL 27 CA -0.0083 -0.0071 -0.0028 295 VAL 27 C -0.0100 -0.0069 -0.0028 296 VAL 27 O -0.0103 -0.0055 -0.0018 297 VAL 27 CB -0.0063 -0.0081 -0.0034 298 VAL 27 CG1 -0.0047 -0.0084 -0.0036 299 VAL 27 CG2 -0.0054 -0.0071 -0.0026 300 VAL 27 H -0.0076 -0.0047 -0.0011 301 VAL 27 HA -0.0089 -0.0078 -0.0034 302 VAL 27 HB -0.0068 -0.0092 -0.0042 303 VAL 27 HG11 -0.0035 -0.0091 -0.0040 304 VAL 27 HG12 -0.0053 -0.0090 -0.0040 305 VAL 27 HG13 -0.0042 -0.0074 -0.0028 306 VAL 27 HG21 -0.0041 -0.0076 -0.0029 307 VAL 27 HG22 -0.0053 -0.0059 -0.0018 308 VAL 27 HG23 -0.0064 -0.0071 -0.0027 309 ALA 28 N -0.0152 -0.0113 -0.0085 310 ALA 28 CA -0.0182 -0.0094 -0.0089 311 ALA 28 C -0.0156 -0.0086 -0.0071 312 ALA 28 O -0.0120 -0.0109 -0.0066 313 ALA 28 CB -0.0209 -0.0125 -0.0122 314 ALA 28 H -0.0150 -0.0140 -0.0100 315 ALA 28 HA -0.0200 -0.0068 -0.0082 316 ALA 28 HB1 -0.0229 -0.0112 -0.0124 317 ALA 28 HB2 -0.0226 -0.0130 -0.0134 318 ALA 28 HB3 -0.0190 -0.0151 -0.0128 319 VAL 29 N -0.0169 -0.0066 -0.0103 320 VAL 29 CA -0.0151 -0.0055 -0.0086 321 VAL 29 C -0.0172 -0.0047 -0.0099 322 VAL 29 O -0.0194 -0.0023 -0.0108 323 VAL 29 CB -0.0139 -0.0022 -0.0065 324 VAL 29 CG1 -0.0120 -0.0014 -0.0047 325 VAL 29 CG2 -0.0122 -0.0028 -0.0053 326 VAL 29 H -0.0184 -0.0050 -0.0109 327 VAL 29 HA -0.0135 -0.0074 -0.0079 328 VAL 29 HB -0.0155 -0.0002 -0.0071 329 VAL 29 HG11 -0.0110 0.0005 -0.0032 330 VAL 29 HG12 -0.0133 -0.0006 -0.0054 331 VAL 29 HG13 -0.0106 -0.0035 -0.0043 332 VAL 29 HG21 -0.0113 -0.0008 -0.0039 333 VAL 29 HG22 -0.0107 -0.0049 -0.0049 334 VAL 29 HG23 -0.0135 -0.0031 -0.0064 335 THR 30 N -0.0257 -0.0066 -0.0079 336 THR 30 CA -0.0290 -0.0055 -0.0115 337 THR 30 C -0.0270 -0.0031 -0.0081 338 THR 30 O -0.0239 -0.0069 -0.0057 339 THR 30 CB -0.0302 -0.0119 -0.0154 340 THR 30 OG1 -0.0263 -0.0172 -0.0125 341 THR 30 CG2 -0.0327 -0.0138 -0.0192 342 THR 30 H -0.0232 -0.0091 -0.0056 343 THR 30 HA -0.0316 -0.0021 -0.0134 344 THR 30 HB -0.0321 -0.0113 -0.0175 345 THR 30 HG1 -0.0251 -0.0165 -0.0108 346 THR 30 HG21 -0.0338 -0.0175 -0.0220 347 THR 30 HG22 -0.0351 -0.0101 -0.0208 348 THR 30 HG23 -0.0307 -0.0151 -0.0172 349 SER 31 N -0.0323 0.0013 -0.0076 350 SER 31 CA -0.0276 0.0006 -0.0060 351 SER 31 C -0.0278 -0.0024 -0.0032 352 SER 31 O -0.0307 -0.0028 -0.0034 353 SER 31 CB -0.0247 0.0036 -0.0083 354 SER 31 OG -0.0203 0.0028 -0.0067 355 SER 31 H -0.0331 0.0029 -0.0093 356 SER 31 HA -0.0262 0.0000 -0.0052 357 SER 31 HB2 -0.0243 0.0054 -0.0100 358 SER 31 HB3 -0.0262 0.0043 -0.0093 359 SER 31 HG -0.0187 0.0046 -0.0080 360 SER 32 N -0.0265 -0.0030 0.0030 361 SER 32 CA -0.0253 -0.0074 0.0082 362 SER 32 C -0.0205 -0.0053 0.0068 363 SER 32 O -0.0208 -0.0082 0.0101 364 SER 32 CB -0.0210 -0.0115 0.0138 365 SER 32 OG -0.0139 -0.0090 0.0123 366 SER 32 H -0.0237 -0.0028 0.0034 367 SER 32 HA -0.0305 -0.0092 0.0092 368 SER 32 HB2 -0.0195 -0.0141 0.0171 369 SER 32 HB3 -0.0247 -0.0134 0.0152 370 SER 32 HG -0.0119 -0.0113 0.0154 371 LYS 33 N -0.0181 -0.0026 0.0021 372 LYS 33 CA -0.0156 -0.0015 0.0016 373 LYS 33 C -0.0186 -0.0008 0.0005 374 LYS 33 O -0.0221 0.0004 -0.0011 375 LYS 33 CB -0.0125 0.0017 -0.0006 376 LYS 33 CG -0.0086 0.0010 0.0007 377 LYS 33 CD -0.0065 0.0042 -0.0017 378 LYS 33 CE -0.0022 0.0036 -0.0004 379 LYS 33 NZ -0.0011 0.0059 -0.0021 380 LYS 33 H -0.0180 -0.0011 0.0008 381 LYS 33 HA -0.0138 -0.0032 0.0034 382 LYS 33 HB2 -0.0141 0.0033 -0.0022 383 LYS 33 HB3 -0.0113 0.0027 -0.0012 384 LYS 33 HG2 -0.0064 0.0001 0.0018 385 LYS 33 HG3 -0.0096 -0.0006 0.0019 386 LYS 33 HD2 -0.0085 0.0049 -0.0026 387 LYS 33 HD3 -0.0059 0.0060 -0.0031 388 LYS 33 HE2 0.0002 0.0040 -0.0003 389 LYS 33 HE3 -0.0024 0.0013 0.0015 390 LYS 33 HZ1 0.0014 0.0054 -0.0013 391 LYS 33 HZ2 -0.0032 0.0056 -0.0023 392 LYS 33 HZ3 -0.0008 0.0081 -0.0039 393 MET 34 N -0.0059 -0.0041 0.0118 394 MET 34 CA -0.0033 -0.0041 0.0120 395 MET 34 C 0.0048 -0.0043 0.0068 396 MET 34 O 0.0084 -0.0043 0.0076 397 MET 34 CB -0.0019 -0.0037 0.0213 398 MET 34 CG -0.0101 -0.0034 0.0267 399 MET 34 SD -0.0159 -0.0034 0.0262 400 MET 34 CE -0.0220 -0.0038 0.0165 401 MET 34 H -0.0022 -0.0040 0.0139 402 MET 34 HA -0.0079 -0.0041 0.0096 403 MET 34 HB2 0.0021 -0.0036 0.0240 404 MET 34 HB3 0.0004 -0.0037 0.0213 405 MET 34 HG2 -0.0138 -0.0035 0.0247 406 MET 34 HG3 -0.0085 -0.0032 0.0327 407 MET 34 HE1 -0.0269 -0.0038 0.0166 408 MET 34 HE2 -0.0183 -0.0040 0.0116 409 MET 34 HE3 -0.0239 -0.0038 0.0162 410 ASP 35 N 0.0019 -0.0022 0.0014 411 ASP 35 CA 0.0068 -0.0037 -0.0023 412 ASP 35 C 0.0062 -0.0059 -0.0071 413 ASP 35 O 0.0014 -0.0066 -0.0083 414 ASP 35 CB 0.0069 -0.0046 -0.0042 415 ASP 35 CG 0.0014 -0.0061 -0.0072 416 ASP 35 OD1 -0.0032 -0.0050 -0.0045 417 ASP 35 OD2 0.0015 -0.0084 -0.0122 418 ASP 35 H -0.0007 -0.0023 0.0014 419 ASP 35 HA 0.0105 -0.0028 -0.0006 420 ASP 35 HB2 0.0102 -0.0056 -0.0067 421 ASP 35 HB3 0.0072 -0.0032 -0.0012 422 ALA 36 N 0.0090 -0.0055 -0.0093 423 ALA 36 CA 0.0117 -0.0094 -0.0132 424 ALA 36 C 0.0063 -0.0137 -0.0171 425 ALA 36 O 0.0051 -0.0151 -0.0185 426 ALA 36 CB 0.0186 -0.0114 -0.0156 427 ALA 36 H 0.0117 -0.0050 -0.0089 428 ALA 36 HA 0.0127 -0.0078 -0.0117 429 ALA 36 HB1 0.0204 -0.0140 -0.0181 430 ALA 36 HB2 0.0221 -0.0086 -0.0130 431 ALA 36 HB3 0.0176 -0.0129 -0.0170 432 TRP 37 N -0.0013 -0.0161 -0.0104 433 TRP 37 CA -0.0014 -0.0161 -0.0106 434 TRP 37 C -0.0003 -0.0110 -0.0117 435 TRP 37 O 0.0016 -0.0098 -0.0099 436 TRP 37 CB -0.0050 -0.0188 -0.0138 437 TRP 37 CG -0.0054 -0.0191 -0.0142 438 TRP 37 CD1 -0.0051 -0.0226 -0.0119 439 TRP 37 CD2 -0.0060 -0.0156 -0.0168 440 TRP 37 NE1 -0.0055 -0.0216 -0.0130 441 TRP 37 CE2 -0.0061 -0.0173 -0.0160 442 TRP 37 CE3 -0.0065 -0.0113 -0.0198 443 TRP 37 CZ2 -0.0067 -0.0149 -0.0181 444 TRP 37 CZ3 -0.0071 -0.0088 -0.0219 445 TRP 37 CH2 -0.0072 -0.0106 -0.0210 446 TRP 37 H -0.0032 -0.0176 -0.0120 447 TRP 37 HA -0.0000 -0.0178 -0.0078 448 TRP 37 HB2 -0.0058 -0.0221 -0.0131 449 TRP 37 HB3 -0.0064 -0.0172 -0.0165 450 TRP 37 HD1 -0.0047 -0.0252 -0.0099 451 TRP 37 HE1 -0.0054 -0.0233 -0.0120 452 TRP 37 HE3 -0.0065 -0.0101 -0.0204 453 TRP 37 HZ2 -0.0067 -0.0161 -0.0175 454 TRP 37 HZ3 -0.0074 -0.0059 -0.0238 455 TRP 37 HH2 -0.0076 -0.0089 -0.0224 456 ASN 38 N -0.0056 -0.0054 -0.0164 457 ASN 38 CA -0.0096 -0.0048 -0.0150 458 ASN 38 C -0.0097 -0.0044 -0.0142 459 ASN 38 O -0.0128 -0.0048 -0.0148 460 ASN 38 CB -0.0109 -0.0030 -0.0117 461 ASN 38 CG -0.0133 -0.0036 -0.0127 462 ASN 38 OD1 -0.0168 -0.0044 -0.0139 463 ASN 38 ND2 -0.0115 -0.0032 -0.0120 464 ASN 38 H -0.0043 -0.0046 -0.0149 465 ASN 38 HA -0.0116 -0.0059 -0.0169 466 ASN 38 HB2 -0.0085 -0.0023 -0.0105 467 ASN 38 HB3 -0.0126 -0.0022 -0.0102 468 ASN 38 HD21 -0.0127 -0.0035 -0.0125 469 ASN 38 HD22 -0.0091 -0.0027 -0.0111 470 ILE 39 N -0.0044 -0.0114 -0.0143 471 ILE 39 CA -0.0028 -0.0107 -0.0137 472 ILE 39 C -0.0023 -0.0139 -0.0164 473 ILE 39 O -0.0036 -0.0141 -0.0167 474 ILE 39 CB 0.0016 -0.0089 -0.0121 475 ILE 39 CG1 0.0010 -0.0056 -0.0092 476 ILE 39 CG2 0.0033 -0.0085 -0.0117 477 ILE 39 CD1 0.0054 -0.0040 -0.0077 478 ILE 39 H -0.0027 -0.0109 -0.0139 479 ILE 39 HA -0.0048 -0.0093 -0.0125 480 ILE 39 HB 0.0036 -0.0102 -0.0131 481 ILE 39 HG12 -0.0006 -0.0042 -0.0080 482 ILE 39 HG13 -0.0005 -0.0059 -0.0095 483 ILE 39 HG21 0.0057 -0.0071 -0.0104 484 ILE 39 HG22 0.0042 -0.0106 -0.0135 485 ILE 39 HG23 0.0010 -0.0076 -0.0110 486 ILE 39 HD11 0.0048 -0.0021 -0.0060 487 ILE 39 HD12 0.0071 -0.0055 -0.0090 488 ILE 39 HD13 0.0068 -0.0035 -0.0072 489 PHE 40 N 0.0056 -0.0108 -0.0118 490 PHE 40 CA 0.0090 -0.0194 -0.0127 491 PHE 40 C 0.0014 -0.0208 -0.0162 492 PHE 40 O 0.0041 -0.0215 -0.0153 493 PHE 40 CB 0.0105 -0.0290 -0.0146 494 PHE 40 CG 0.0130 -0.0387 -0.0161 495 PHE 40 CD1 0.0229 -0.0418 -0.0129 496 PHE 40 CD2 0.0056 -0.0448 -0.0207 497 PHE 40 CE1 0.0252 -0.0507 -0.0143 498 PHE 40 CE2 0.0080 -0.0537 -0.0221 499 PHE 40 CZ 0.0179 -0.0567 -0.0188 500 PHE 40 H 0.0049 -0.0127 -0.0126 501 PHE 40 HA 0.0152 -0.0181 -0.0098 502 PHE 40 HB2 0.0160 -0.0282 -0.0121 503 PHE 40 HB3 0.0044 -0.0298 -0.0173 504 PHE 40 HD1 0.0279 -0.0377 -0.0097 505 PHE 40 HD2 -0.0010 -0.0428 -0.0229 506 PHE 40 HE1 0.0318 -0.0527 -0.0121 507 PHE 40 HE2 0.0030 -0.0578 -0.0252 508 PHE 40 HZ 0.0196 -0.0631 -0.0198 509 GLU 41 N -0.0058 -0.0183 -0.0180 510 GLU 41 CA -0.0082 -0.0182 -0.0195 511 GLU 41 C -0.0086 -0.0147 -0.0188 512 GLU 41 O -0.0095 -0.0147 -0.0193 513 GLU 41 CB -0.0113 -0.0189 -0.0216 514 GLU 41 CG -0.0131 -0.0214 -0.0234 515 GLU 41 CD -0.0113 -0.0252 -0.0234 516 GLU 41 OE1 -0.0090 -0.0260 -0.0222 517 GLU 41 OE2 -0.0123 -0.0274 -0.0246 518 GLU 41 H -0.0065 -0.0184 -0.0184 519 GLU 41 HA -0.0076 -0.0201 -0.0196 520 GLU 41 HB2 -0.0109 -0.0199 -0.0216 521 GLU 41 HB3 -0.0127 -0.0166 -0.0218 522 GLU 41 HG2 -0.0151 -0.0215 -0.0247 523 GLU 41 HG3 -0.0134 -0.0206 -0.0234 524 GLY 42 N -0.0125 -0.0104 -0.0191 525 GLY 42 CA -0.0133 -0.0062 -0.0178 526 GLY 42 C -0.0097 -0.0066 -0.0165 527 GLY 42 O -0.0110 -0.0047 -0.0162 528 GLY 42 H -0.0115 -0.0097 -0.0184 529 GLY 42 HA2 -0.0167 -0.0059 -0.0190 530 GLY 42 HA3 -0.0129 -0.0031 -0.0164 531 LEU 43 N -0.0051 -0.0080 -0.0141 532 LEU 43 CA 0.0023 -0.0088 -0.0102 533 LEU 43 C 0.0010 -0.0167 -0.0137 534 LEU 43 O 0.0044 -0.0156 -0.0113 535 LEU 43 CB 0.0121 -0.0120 -0.0057 536 LEU 43 CG 0.0152 -0.0042 -0.0012 537 LEU 43 CD1 0.0233 -0.0095 0.0017 538 LEU 43 CD2 0.0185 0.0049 0.0038 539 LEU 43 H -0.0034 -0.0114 -0.0143 540 LEU 43 HA 0.0021 -0.0020 -0.0080 541 LEU 43 HB2 0.0120 -0.0185 -0.0080 542 LEU 43 HB3 0.0169 -0.0132 -0.0033 543 LEU 43 HG 0.0099 -0.0014 -0.0033 544 LEU 43 HD11 0.0253 -0.0043 0.0045 545 LEU 43 HD12 0.0211 -0.0150 -0.0015 546 LEU 43 HD13 0.0287 -0.0124 0.0037 547 LEU 43 HD21 0.0206 0.0098 0.0067 548 LEU 43 HD22 0.0238 0.0021 0.0059 549 LEU 43 HD23 0.0131 0.0084 0.0020 550 VAL 44 N -0.0022 -0.0176 -0.0131 551 VAL 44 CA -0.0027 -0.0203 -0.0140 552 VAL 44 C -0.0065 -0.0176 -0.0181 553 VAL 44 O -0.0065 -0.0163 -0.0178 554 VAL 44 CB -0.0024 -0.0274 -0.0148 555 VAL 44 CG1 -0.0051 -0.0293 -0.0183 556 VAL 44 CG2 -0.0035 -0.0300 -0.0165 557 VAL 44 H -0.0037 -0.0190 -0.0151 558 VAL 44 HA -0.0004 -0.0193 -0.0112 559 VAL 44 HB 0.0004 -0.0290 -0.0119 560 VAL 44 HG11 -0.0063 -0.0330 -0.0202 561 VAL 44 HG12 -0.0035 -0.0302 -0.0166 562 VAL 44 HG13 -0.0073 -0.0260 -0.0202 563 VAL 44 HG21 -0.0026 -0.0344 -0.0161 564 VAL 44 HG22 -0.0065 -0.0294 -0.0198 565 VAL 44 HG23 -0.0022 -0.0279 -0.0147 566 VAL 44 N -0.0023 -0.0176 -0.0132 567 VAL 44 CA -0.0026 -0.0205 -0.0140 568 VAL 44 C -0.0065 -0.0183 -0.0182 569 VAL 44 O -0.0065 -0.0182 -0.0181 570 VAL 44 CB -0.0021 -0.0276 -0.0145 571 VAL 44 CG1 0.0021 -0.0301 -0.0100 572 VAL 44 CG2 -0.0055 -0.0299 -0.0187 573 VAL 44 H -0.0038 -0.0189 -0.0151 574 VAL 44 HA -0.0004 -0.0194 -0.0113 575 VAL 44 HB -0.0024 -0.0293 -0.0151 576 VAL 44 HG11 0.0034 -0.0332 -0.0091 577 VAL 44 HG12 0.0038 -0.0267 -0.0076 578 VAL 44 HG13 0.0019 -0.0319 -0.0106 579 VAL 44 HG21 -0.0045 -0.0339 -0.0183 580 VAL 44 HG22 -0.0061 -0.0270 -0.0190 581 VAL 44 HG23 -0.0079 -0.0301 -0.0215 582 MET 45 N -0.0072 -0.0157 -0.0153 583 MET 45 CA -0.0056 -0.0143 -0.0168 584 MET 45 C -0.0049 -0.0148 -0.0180 585 MET 45 O -0.0039 -0.0155 -0.0198 586 MET 45 CB -0.0048 -0.0148 -0.0181 587 MET 45 CG -0.0054 -0.0143 -0.0172 588 MET 45 SD -0.0046 -0.0115 -0.0168 589 MET 45 CE -0.0027 -0.0111 -0.0191 590 MET 45 H -0.0074 -0.0171 -0.0158 591 MET 45 HA -0.0056 -0.0128 -0.0161 592 MET 45 HB2 -0.0049 -0.0164 -0.0187 593 MET 45 HB3 -0.0038 -0.0139 -0.0191 594 MET 45 HG2 -0.0064 -0.0147 -0.0159 595 MET 45 HG3 -0.0051 -0.0152 -0.0180 596 MET 45 HE1 -0.0022 -0.0096 -0.0191 597 MET 45 HE2 -0.0027 -0.0122 -0.0197 598 MET 45 HE3 -0.0022 -0.0112 -0.0199 599 GLY 46 N -0.0151 -0.0099 -0.0140 600 GLY 46 CA -0.0158 -0.0079 -0.0125 601 GLY 46 C -0.0179 -0.0080 -0.0122 602 GLY 46 O -0.0185 -0.0064 -0.0109 603 GLY 46 H -0.0142 -0.0105 -0.0146 604 GLY 46 HA2 -0.0164 -0.0071 -0.0118 605 GLY 46 HA3 -0.0144 -0.0071 -0.0122 606 SER 47 N -0.0108 -0.0095 -0.0060 607 SER 47 CA -0.0107 -0.0080 -0.0063 608 SER 47 C -0.0099 -0.0065 -0.0074 609 SER 47 O -0.0098 -0.0061 -0.0075 610 SER 47 CB -0.0119 -0.0071 -0.0049 611 SER 47 OG -0.0126 -0.0064 -0.0041 612 SER 47 H -0.0108 -0.0091 -0.0061 613 SER 47 HA -0.0102 -0.0086 -0.0067 614 SER 47 HB2 -0.0118 -0.0060 -0.0051 615 SER 47 HB3 -0.0124 -0.0080 -0.0042 616 SER 47 HG -0.0134 -0.0068 -0.0032 617 VAL 48 N -0.0077 -0.0053 -0.0025 618 VAL 48 CA -0.0071 -0.0044 -0.0033 619 VAL 48 C -0.0078 -0.0037 -0.0033 620 VAL 48 O -0.0084 -0.0041 -0.0027 621 VAL 48 CB -0.0059 -0.0048 -0.0038 622 VAL 48 CG1 -0.0051 -0.0053 -0.0039 623 VAL 48 CG2 -0.0058 -0.0057 -0.0033 624 VAL 48 H -0.0079 -0.0057 -0.0022 625 VAL 48 HA -0.0072 -0.0038 -0.0036 626 VAL 48 HB -0.0056 -0.0042 -0.0043 627 VAL 48 HG11 -0.0044 -0.0056 -0.0042 628 VAL 48 HG12 -0.0052 -0.0048 -0.0042 629 VAL 48 HG13 -0.0054 -0.0060 -0.0034 630 VAL 48 HG21 -0.0050 -0.0060 -0.0036 631 VAL 48 HG22 -0.0061 -0.0063 -0.0028 632 VAL 48 HG23 -0.0061 -0.0053 -0.0034 633 TRP 49 N -0.0046 -0.0012 0.0012 634 TRP 49 CA -0.0045 0.0008 0.0007 635 TRP 49 C -0.0036 0.0008 -0.0013 636 TRP 49 O -0.0030 0.0002 -0.0025 637 TRP 49 CB -0.0047 0.0023 0.0009 638 TRP 49 CG -0.0056 0.0029 0.0029 639 TRP 49 CD1 -0.0061 0.0024 0.0040 640 TRP 49 CD2 -0.0062 0.0041 0.0040 641 TRP 49 NE1 -0.0069 0.0032 0.0057 642 TRP 49 CE2 -0.0070 0.0043 0.0057 643 TRP 49 CE3 -0.0061 0.0051 0.0037 644 TRP 49 CZ2 -0.0077 0.0053 0.0072 645 TRP 49 CZ3 -0.0068 0.0062 0.0051 646 TRP 49 CH2 -0.0076 0.0063 0.0068 647 TRP 49 H -0.0044 -0.0014 0.0009 648 TRP 49 HA -0.0049 0.0012 0.0015 649 TRP 49 HB2 -0.0044 0.0018 0.0005 650 TRP 49 HB3 -0.0044 0.0036 0.0003 651 TRP 49 HD1 -0.0058 0.0016 0.0036 652 TRP 49 HE1 -0.0073 0.0030 0.0066 653 TRP 49 HE3 -0.0056 0.0050 0.0026 654 TRP 49 HZ2 -0.0082 0.0054 0.0083 655 TRP 49 HZ3 -0.0067 0.0068 0.0049 656 TRP 49 HH2 -0.0080 0.0071 0.0077 657 VAL 50 N -0.0017 -0.0036 0.0032 658 VAL 50 CA 0.0001 -0.0041 0.0034 659 VAL 50 C 0.0008 -0.0037 0.0036 660 VAL 50 O 0.0002 -0.0043 0.0034 661 VAL 50 CB 0.0002 -0.0060 0.0031 662 VAL 50 CG1 0.0021 -0.0065 0.0032 663 VAL 50 CG2 -0.0007 -0.0064 0.0028 664 VAL 50 H -0.0023 -0.0042 0.0030 665 VAL 50 HA 0.0006 -0.0035 0.0036 666 VAL 50 HB -0.0003 -0.0066 0.0029 667 VAL 50 HG11 0.0022 -0.0076 0.0030 668 VAL 50 HG12 0.0026 -0.0065 0.0033 669 VAL 50 HG13 0.0027 -0.0057 0.0035 670 VAL 50 HG21 -0.0004 -0.0076 0.0026 671 VAL 50 HG22 -0.0002 -0.0057 0.0030 672 VAL 50 HG23 -0.0019 -0.0062 0.0027 673 ILE 51 N -0.0011 -0.0048 0.0029 674 ILE 51 CA -0.0003 -0.0037 0.0028 675 ILE 51 C 0.0017 -0.0042 0.0022 676 ILE 51 O 0.0029 -0.0037 0.0020 677 ILE 51 CB -0.0004 -0.0016 0.0030 678 ILE 51 CG1 -0.0023 -0.0010 0.0036 679 ILE 51 CG2 0.0001 -0.0005 0.0030 680 ILE 51 CD1 -0.0024 -0.0005 0.0036 681 ILE 51 H -0.0005 -0.0048 0.0027 682 ILE 51 HA -0.0010 -0.0040 0.0029 683 ILE 51 HB 0.0005 -0.0013 0.0028 684 ILE 51 HG12 -0.0027 0.0001 0.0038 685 ILE 51 HG13 -0.0032 -0.0021 0.0037 686 ILE 51 HG21 -0.0000 0.0009 0.0032 687 ILE 51 HG22 0.0013 -0.0008 0.0027 688 ILE 51 HG23 -0.0008 -0.0008 0.0032 689 ILE 51 HD11 -0.0036 -0.0002 0.0040 690 ILE 51 HD12 -0.0020 -0.0016 0.0034 691 ILE 51 HD13 -0.0015 0.0006 0.0035 692 ARG 52 N 0.0092 -0.0038 0.0049 693 ARG 52 CA 0.0080 -0.0030 0.0036 694 ARG 52 C 0.0082 -0.0033 0.0039 695 ARG 52 O 0.0097 -0.0031 0.0048 696 ARG 52 CB 0.0086 -0.0011 0.0025 697 ARG 52 CG 0.0076 -0.0000 0.0010 698 ARG 52 CD 0.0086 0.0019 0.0002 699 ARG 52 NE 0.0078 0.0030 -0.0013 700 ARG 52 CZ 0.0084 0.0048 -0.0021 701 ARG 52 NH1 0.0099 0.0056 -0.0018 702 ARG 52 NH2 0.0076 0.0057 -0.0034 703 ARG 52 H 0.0102 -0.0030 0.0051 704 ARG 52 HA 0.0068 -0.0035 0.0031 705 ARG 52 HB2 0.0085 -0.0009 0.0023 706 ARG 52 HB3 0.0099 -0.0005 0.0030 707 ARG 52 HG2 0.0075 -0.0002 0.0011 708 ARG 52 HG3 0.0064 -0.0004 0.0004 709 ARG 52 HD2 0.0086 0.0021 -0.0000 710 ARG 52 HD3 0.0098 0.0022 0.0008 711 ARG 52 HE 0.0068 0.0026 -0.0015 712 ARG 52 HH11 0.0104 0.0050 -0.0010 713 ARG 52 HH12 0.0103 0.0067 -0.0024 714 ARG 52 HH21 0.0066 0.0052 -0.0037 715 ARG 52 HH22 0.0080 0.0068 -0.0040 716 GLN 53 N 0.0014 -0.0052 -0.0006 717 GLN 53 CA 0.0015 -0.0045 -0.0012 718 GLN 53 C 0.0015 -0.0034 -0.0022 719 GLN 53 O 0.0015 -0.0033 -0.0025 720 GLN 53 CB 0.0013 -0.0055 -0.0020 721 GLN 53 CG 0.0012 -0.0069 -0.0013 722 GLN 53 CD 0.0013 -0.0067 -0.0001 723 GLN 53 OE1 0.0014 -0.0060 -0.0002 724 GLN 53 NE2 0.0013 -0.0074 0.0011 725 GLN 53 H 0.0013 -0.0058 -0.0012 726 GLN 53 HA 0.0016 -0.0041 -0.0006 727 GLN 53 HB2 0.0012 -0.0057 -0.0029 728 GLN 53 HB3 0.0013 -0.0052 -0.0022 729 GLN 53 HG2 0.0012 -0.0072 -0.0009 730 GLN 53 HG3 0.0010 -0.0076 -0.0019 731 GLN 53 HE21 0.0013 -0.0078 0.0011 732 GLN 53 HE22 0.0014 -0.0073 0.0018 733 LYS 54 N 0.0031 -0.0031 -0.0054 734 LYS 54 CA -0.0022 0.0007 -0.0053 735 LYS 54 C -0.0050 0.0018 -0.0061 736 LYS 54 O -0.0089 0.0055 -0.0052 737 LYS 54 CB -0.0059 -0.0006 -0.0087 738 LYS 54 CG -0.0048 0.0000 -0.0075 739 LYS 54 CD -0.0077 -0.0025 -0.0114 740 LYS 54 CE -0.0042 -0.0046 -0.0112 741 LYS 54 NZ -0.0027 -0.0010 -0.0071 742 LYS 54 H 0.0032 -0.0055 -0.0075 743 LYS 54 HA -0.0015 0.0036 -0.0024 744 LYS 54 HB2 -0.0054 -0.0040 -0.0113 745 LYS 54 HB3 -0.0096 0.0013 -0.0093 746 LYS 54 HG2 -0.0062 0.0034 -0.0054 747 LYS 54 HG3 -0.0010 -0.0013 -0.0063 748 LYS 54 HD2 -0.0083 -0.0051 -0.0140 749 LYS 54 HD3 -0.0111 -0.0003 -0.0115 750 LYS 54 HE2 -0.0009 -0.0070 -0.0112 751 LYS 54 HE3 -0.0061 -0.0061 -0.0136 752 LYS 54 HZ1 -0.0007 -0.0024 -0.0071 753 LYS 54 HZ2 -0.0057 0.0012 -0.0070 754 LYS 54 HZ3 -0.0009 0.0004 -0.0048 755 ASP 55 N -0.0056 -0.0002 -0.0085 756 ASP 55 CA -0.0082 -0.0002 -0.0113 757 ASP 55 C -0.0072 0.0001 -0.0101 758 ASP 55 O -0.0090 -0.0003 -0.0122 759 ASP 55 CB -0.0100 -0.0044 -0.0139 760 ASP 55 CG -0.0081 -0.0088 -0.0126 761 ASP 55 OD1 -0.0052 -0.0090 -0.0095 762 ASP 55 OD2 -0.0096 -0.0121 -0.0148 763 ASP 55 H -0.0046 -0.0029 -0.0078 764 ASP 55 HA -0.0097 0.0025 -0.0125 765 ASP 55 HB2 -0.0119 -0.0039 -0.0160 766 ASP 55 HB3 -0.0104 -0.0047 -0.0144 767 ASP 56 N -0.0014 -0.0010 -0.0018 768 ASP 56 CA -0.0006 -0.0006 -0.0010 769 ASP 56 C -0.0005 -0.0037 -0.0008 770 ASP 56 O -0.0001 -0.0036 -0.0004 771 ASP 56 CB -0.0018 0.0018 -0.0023 772 ASP 56 CG -0.0012 0.0051 -0.0018 773 ASP 56 OD1 0.0004 0.0055 -0.0001 774 ASP 56 OD2 -0.0024 0.0072 -0.0030 775 ASP 56 H -0.0003 -0.0008 -0.0007 776 ASP 56 HA 0.0009 0.0001 0.0005 777 ASP 56 HB2 -0.0034 0.0015 -0.0038 778 ASP 56 HB3 -0.0014 0.0016 -0.0018 779 SER 57 N -0.0027 -0.0058 -0.0008 780 SER 57 CA -0.0013 -0.0082 -0.0006 781 SER 57 C 0.0005 -0.0084 0.0013 782 SER 57 O 0.0006 -0.0071 0.0022 783 SER 57 CB -0.0018 -0.0102 -0.0025 784 SER 57 OG -0.0020 -0.0101 -0.0026 785 SER 57 H -0.0036 -0.0058 -0.0018 786 SER 57 HA -0.0012 -0.0083 -0.0006 787 SER 57 HB2 -0.0009 -0.0118 -0.0023 788 SER 57 HB3 -0.0030 -0.0100 -0.0038 789 SER 57 HG -0.0022 -0.0113 -0.0036 790 LEU 58 N 0.0001 -0.0118 0.0077 791 LEU 58 CA 0.0013 -0.0119 0.0077 792 LEU 58 C 0.0015 -0.0129 0.0078 793 LEU 58 O 0.0007 -0.0132 0.0078 794 LEU 58 CB 0.0019 -0.0108 0.0076 795 LEU 58 CG 0.0017 -0.0097 0.0074 796 LEU 58 CD1 0.0010 -0.0088 0.0074 797 LEU 58 CD2 0.0029 -0.0092 0.0074 798 LEU 58 H -0.0004 -0.0117 0.0077 799 LEU 58 HA 0.0018 -0.0121 0.0077 800 LEU 58 HB2 0.0015 -0.0106 0.0075 801 LEU 58 HB3 0.0027 -0.0109 0.0075 802 LEU 58 HG 0.0013 -0.0099 0.0075 803 LEU 58 HD11 0.0010 -0.0080 0.0073 804 LEU 58 HD12 0.0003 -0.0091 0.0074 805 LEU 58 HD13 0.0014 -0.0086 0.0073 806 LEU 58 HD21 0.0028 -0.0085 0.0073 807 LEU 58 HD22 0.0034 -0.0089 0.0073 808 LEU 58 HD23 0.0033 -0.0097 0.0074 809 LYS 59 N -0.0023 -0.0097 0.0001 810 LYS 59 CA -0.0018 -0.0093 -0.0007 811 LYS 59 C -0.0026 -0.0101 0.0007 812 LYS 59 O -0.0043 -0.0103 0.0017 813 LYS 59 CB -0.0027 -0.0077 -0.0022 814 LYS 59 CG -0.0016 -0.0069 -0.0037 815 LYS 59 CD -0.0029 -0.0053 -0.0050 816 LYS 59 CE -0.0019 -0.0045 -0.0064 817 LYS 59 NZ -0.0008 -0.0037 -0.0079 818 LYS 59 H -0.0036 -0.0094 0.0004 819 LYS 59 HA -0.0004 -0.0096 -0.0010 820 LYS 59 HB2 -0.0041 -0.0074 -0.0019 821 LYS 59 HB3 -0.0026 -0.0075 -0.0024 822 LYS 59 HG2 -0.0004 -0.0069 -0.0043 823 LYS 59 HG3 -0.0013 -0.0073 -0.0034 824 LYS 59 HD2 -0.0042 -0.0052 -0.0044 825 LYS 59 HD3 -0.0031 -0.0048 -0.0054 826 LYS 59 HE2 -0.0009 -0.0052 -0.0060 827 LYS 59 HE3 -0.0029 -0.0038 -0.0067 828 LYS 59 HZ1 -0.0016 -0.0031 -0.0083 829 LYS 59 HZ2 0.0002 -0.0044 -0.0076 830 LYS 59 HZ3 -0.0002 -0.0033 -0.0087 831 VAL 60 N -0.0052 -0.0083 -0.0022 832 VAL 60 CA -0.0051 -0.0080 -0.0028 833 VAL 60 C -0.0042 -0.0063 -0.0050 834 VAL 60 O -0.0026 -0.0049 -0.0051 835 VAL 60 CB -0.0038 -0.0078 -0.0005 836 VAL 60 CG1 -0.0037 -0.0074 -0.0013 837 VAL 60 CG2 -0.0047 -0.0095 0.0017 838 VAL 60 H -0.0040 -0.0073 -0.0022 839 VAL 60 HA -0.0065 -0.0090 -0.0032 840 VAL 60 HB -0.0024 -0.0069 -0.0001 841 VAL 60 HG11 -0.0032 -0.0076 0.0002 842 VAL 60 HG12 -0.0027 -0.0061 -0.0023 843 VAL 60 HG13 -0.0050 -0.0081 -0.0022 844 VAL 60 HG21 -0.0040 -0.0094 0.0030 845 VAL 60 HG22 -0.0061 -0.0105 0.0013 846 VAL 60 HG23 -0.0045 -0.0096 0.0024 847 PHE 61 N -0.0034 -0.0020 -0.0057 848 PHE 61 CA -0.0033 -0.0014 -0.0065 849 PHE 61 C -0.0037 -0.0018 -0.0058 850 PHE 61 O -0.0047 -0.0024 -0.0050 851 PHE 61 CB -0.0044 -0.0005 -0.0075 852 PHE 61 CG -0.0042 0.0001 -0.0082 853 PHE 61 CD1 -0.0030 0.0006 -0.0090 854 PHE 61 CD2 -0.0051 0.0001 -0.0080 855 PHE 61 CE1 -0.0028 0.0011 -0.0097 856 PHE 61 CE2 -0.0049 0.0006 -0.0087 857 PHE 61 CZ -0.0037 0.0011 -0.0095 858 PHE 61 H -0.0043 -0.0022 -0.0053 859 PHE 61 HA -0.0023 -0.0012 -0.0068 860 PHE 61 HB2 -0.0054 -0.0006 -0.0071 861 PHE 61 HB3 -0.0043 -0.0001 -0.0080 862 PHE 61 HD1 -0.0024 0.0007 -0.0092 863 PHE 61 HD2 -0.0059 -0.0003 -0.0075 864 PHE 61 HE1 -0.0020 0.0015 -0.0103 865 PHE 61 HE2 -0.0055 0.0006 -0.0086 866 PHE 61 HZ -0.0035 0.0015 -0.0100 867 SER 62 N -0.0003 -0.0024 -0.0118 868 SER 62 CA -0.0010 -0.0032 -0.0100 869 SER 62 C -0.0022 -0.0017 -0.0089 870 SER 62 O -0.0024 -0.0002 -0.0096 871 SER 62 CB -0.0005 -0.0044 -0.0100 872 SER 62 OG -0.0011 -0.0052 -0.0083 873 SER 62 H 0.0003 -0.0027 -0.0126 874 SER 62 HA -0.0009 -0.0040 -0.0094 875 SER 62 HB2 0.0003 -0.0053 -0.0106 876 SER 62 HB3 -0.0005 -0.0036 -0.0105 877 SER 62 HG -0.0014 -0.0053 -0.0076 878 THR 63 N -0.0038 -0.0008 -0.0030 879 THR 63 CA -0.0051 0.0006 -0.0015 880 THR 63 C -0.0056 0.0005 -0.0006 881 THR 63 O -0.0066 0.0018 0.0005 882 THR 63 CB -0.0060 -0.0000 0.0002 883 THR 63 OG1 -0.0059 -0.0023 0.0009 884 THR 63 CG2 -0.0056 0.0003 -0.0005 885 THR 63 H -0.0037 -0.0020 -0.0026 886 THR 63 HA -0.0051 0.0022 -0.0020 887 THR 63 HB -0.0068 0.0009 0.0012 888 THR 63 HG1 -0.0063 -0.0027 0.0018 889 THR 63 HG21 -0.0062 -0.0002 0.0006 890 THR 63 HG22 -0.0057 0.0019 -0.0009 891 THR 63 HG23 -0.0048 -0.0006 -0.0015 892 ASN 64 N 0.0020 -0.0022 -0.0062 893 ASN 64 CA 0.0011 -0.0035 -0.0042 894 ASN 64 C 0.0014 -0.0023 -0.0043 895 ASN 64 O 0.0019 -0.0026 -0.0064 896 ASN 64 CB 0.0004 -0.0065 -0.0049 897 ASN 64 CG -0.0005 -0.0081 -0.0028 898 ASN 64 OD1 -0.0011 -0.0078 -0.0004 899 ASN 64 ND2 -0.0007 -0.0097 -0.0037 900 ASN 64 H 0.0021 -0.0031 -0.0078 901 ASN 64 HA 0.0007 -0.0030 -0.0024 902 ASN 64 HB2 0.0003 -0.0072 -0.0050 903 ASN 64 HB3 0.0008 -0.0069 -0.0066 904 ASN 64 HD21 -0.0013 -0.0107 -0.0026 905 ASN 64 HD22 -0.0003 -0.0099 -0.0054 906 ASN 64 N 0.0019 -0.0023 -0.0062 907 ASN 64 CA 0.0011 -0.0033 -0.0042 908 ASN 64 C 0.0015 -0.0020 -0.0043 909 ASN 64 O 0.0021 -0.0020 -0.0064 910 ASN 64 CB 0.0004 -0.0063 -0.0044 911 ASN 64 CG -0.0002 -0.0077 -0.0037 912 ASN 64 OD1 -0.0003 -0.0067 -0.0021 913 ASN 64 ND2 -0.0005 -0.0102 -0.0049 914 ASN 64 H 0.0021 -0.0033 -0.0077 915 ASN 64 HA 0.0008 -0.0027 -0.0024 916 ASN 64 HB2 0.0007 -0.0069 -0.0063 917 ASN 64 HB3 -0.0001 -0.0069 -0.0033 918 ASN 64 HD21 -0.0009 -0.0111 -0.0046 919 ASN 64 HD22 -0.0004 -0.0108 -0.0060 920 CYS 65 N 0.0009 0.0018 0.0034 921 CYS 65 CA 0.0011 0.0027 0.0031 922 CYS 65 C 0.0011 0.0015 0.0027 923 CYS 65 O 0.0007 0.0002 0.0035 924 CYS 65 CB 0.0007 0.0036 0.0046 925 CYS 65 SG 0.0008 0.0048 0.0045 926 CYS 65 HA 0.0014 0.0034 0.0023 927 CYS 65 HB2 0.0007 0.0044 0.0049 928 CYS 65 HB3 0.0003 0.0029 0.0055 929 CYS 65 H 0.0006 0.0019 0.0043 930 CYS 65 H 0.0006 0.0018 0.0043 931 PRO 66 N 0.0005 0.0019 0.0029 932 PRO 66 CA 0.0005 0.0013 0.0027 933 PRO 66 C -0.0002 0.0017 0.0038 934 PRO 66 O -0.0004 0.0011 0.0037 935 PRO 66 CB 0.0016 0.0019 0.0015 936 PRO 66 CG 0.0020 0.0034 0.0015 937 PRO 66 CD 0.0015 0.0030 0.0020 938 PRO 66 HA 0.0003 0.0002 0.0025 939 PRO 66 HB2 0.0016 0.0022 0.0015 940 PRO 66 HB3 0.0019 0.0012 0.0007 941 PRO 66 HG2 0.0018 0.0043 0.0021 942 PRO 66 HG3 0.0027 0.0037 0.0006 943 PRO 66 HD2 0.0014 0.0040 0.0025 944 PRO 66 HD3 0.0019 0.0026 0.0013 945 HIS 67 N 0.0031 0.0065 0.0028 946 HIS 67 CA 0.0038 0.0064 0.0015 947 HIS 67 C 0.0047 0.0077 0.0008 948 HIS 67 O 0.0050 0.0087 0.0008 949 HIS 67 CB 0.0038 0.0049 0.0006 950 HIS 67 CG 0.0045 0.0046 -0.0007 951 HIS 67 ND1 0.0050 0.0041 -0.0020 952 HIS 67 CD2 0.0047 0.0048 -0.0011 953 HIS 67 CE1 0.0056 0.0040 -0.0030 954 HIS 67 NE2 0.0054 0.0044 -0.0025 955 HIS 67 H 0.0029 0.0060 0.0028 956 HIS 67 HA 0.0037 0.0063 0.0017 957 HIS 67 HB2 0.0032 0.0041 0.0011 958 HIS 67 HB3 0.0039 0.0048 0.0004 959 HIS 67 HD2 0.0045 0.0051 -0.0005 960 HIS 67 HE1 0.0060 0.0037 -0.0039 961 HIS 67 HE2 0.0057 0.0044 -0.0030 962 LEU 68 N 0.0070 0.0051 0.0019 963 LEU 68 CA 0.0075 0.0062 0.0009 964 LEU 68 C 0.0068 0.0041 0.0032 965 LEU 68 O 0.0062 0.0042 0.0020 966 LEU 68 CB 0.0059 0.0071 -0.0030 967 LEU 68 CG 0.0072 0.0098 -0.0054 968 LEU 68 CD1 0.0054 0.0104 -0.0092 969 LEU 68 CD2 0.0104 0.0125 -0.0046 970 LEU 68 H 0.0054 0.0033 0.0022 971 LEU 68 HA 0.0096 0.0080 0.0014 972 LEU 68 HB2 0.0039 0.0055 -0.0037 973 LEU 68 HB3 0.0060 0.0074 -0.0035 974 LEU 68 HG 0.0071 0.0095 -0.0049 975 LEU 68 HD11 0.0063 0.0121 -0.0106 976 LEU 68 HD12 0.0035 0.0087 -0.0097 977 LEU 68 HD13 0.0055 0.0107 -0.0096 978 LEU 68 HD21 0.0109 0.0143 -0.0065 979 LEU 68 HD22 0.0106 0.0126 -0.0044 980 LEU 68 HD23 0.0116 0.0124 -0.0024 981 GLY 69 N 0.0026 -0.0023 0.0074 982 GLY 69 CA 0.0026 -0.0038 0.0070 983 GLY 69 C 0.0020 -0.0021 0.0087 984 GLY 69 O 0.0018 -0.0035 0.0088 985 GLY 69 H 0.0033 -0.0010 0.0060 986 GLY 69 HA2 0.0035 -0.0039 0.0049 987 GLY 69 HA3 0.0020 -0.0060 0.0077 988 CYS 70 N 0.0046 0.0006 0.0080 989 CYS 70 CA 0.0044 0.0027 0.0093 990 CYS 70 C 0.0025 0.0044 0.0088 991 CYS 70 O 0.0013 0.0041 0.0073 992 CYS 70 CB 0.0043 0.0027 0.0093 993 CYS 70 SG 0.0066 0.0011 0.0104 994 CYS 70 H 0.0046 -0.0002 0.0072 995 CYS 70 HA 0.0054 0.0029 0.0106 996 CYS 70 HB2 0.0035 0.0021 0.0080 997 CYS 70 HB3 0.0039 0.0041 0.0100 998 GLY 71 N -0.0005 0.0031 0.0107 999 GLY 71 CA -0.0019 0.0055 0.0095 1000 GLY 71 C -0.0032 0.0071 0.0079 1001 GLY 71 O -0.0031 0.0079 0.0089 1002 GLY 71 H 0.0002 0.0034 0.0125 1003 GLY 71 HA2 -0.0022 0.0047 0.0082 1004 GLY 71 HA3 -0.0017 0.0068 0.0110 1005 ILE 72 N -0.0030 0.0062 0.0069 1006 ILE 72 CA -0.0037 0.0075 0.0058 1007 ILE 72 C -0.0044 0.0085 0.0065 1008 ILE 72 O -0.0043 0.0082 0.0069 1009 ILE 72 CB -0.0031 0.0072 0.0041 1010 ILE 72 CG1 -0.0024 0.0063 0.0034 1011 ILE 72 CG2 -0.0038 0.0085 0.0031 1012 ILE 72 CD1 -0.0018 0.0058 0.0018 1013 ILE 72 H -0.0026 0.0056 0.0067 1014 ILE 72 HA -0.0039 0.0079 0.0058 1015 ILE 72 HB -0.0028 0.0067 0.0042 1016 ILE 72 HG12 -0.0027 0.0068 0.0032 1017 ILE 72 HG13 -0.0020 0.0055 0.0042 1018 ILE 72 HG21 -0.0035 0.0083 0.0020 1019 ILE 72 HG22 -0.0042 0.0090 0.0035 1020 ILE 72 HG23 -0.0042 0.0091 0.0031 1021 ILE 72 HD11 -0.0015 0.0054 0.0014 1022 ILE 72 HD12 -0.0014 0.0051 0.0020 1023 ILE 72 HD13 -0.0022 0.0066 0.0011 1024 ASP 73 N -0.0044 0.0092 0.0096 1025 ASP 73 CA -0.0047 0.0106 0.0098 1026 ASP 73 C -0.0050 0.0115 0.0085 1027 ASP 73 O -0.0051 0.0112 0.0077 1028 ASP 73 CB -0.0047 0.0114 0.0112 1029 ASP 73 CG -0.0044 0.0106 0.0126 1030 ASP 73 OD1 -0.0042 0.0100 0.0128 1031 ASP 73 OD2 -0.0043 0.0106 0.0135 1032 ASP 73 H -0.0044 0.0091 0.0098 1033 ASP 73 HA -0.0047 0.0105 0.0100 1034 ASP 73 HB2 -0.0047 0.0114 0.0110 1035 ASP 73 HB3 -0.0049 0.0123 0.0113 1036 TRP 74 N -0.0028 0.0120 0.0116 1037 TRP 74 CA -0.0036 0.0117 0.0117 1038 TRP 74 C -0.0029 0.0114 0.0116 1039 TRP 74 O -0.0022 0.0121 0.0116 1040 TRP 74 CB -0.0045 0.0126 0.0117 1041 TRP 74 CG -0.0052 0.0123 0.0117 1042 TRP 74 CD1 -0.0052 0.0129 0.0117 1043 TRP 74 CD2 -0.0061 0.0115 0.0118 1044 TRP 74 NE1 -0.0060 0.0124 0.0118 1045 TRP 74 CE2 -0.0066 0.0115 0.0119 1046 TRP 74 CE3 -0.0066 0.0107 0.0119 1047 TRP 74 CZ2 -0.0075 0.0108 0.0120 1048 TRP 74 CZ3 -0.0075 0.0100 0.0120 1049 TRP 74 CH2 -0.0080 0.0100 0.0120 1050 TRP 74 H -0.0026 0.0127 0.0116 1051 TRP 74 HA -0.0040 0.0109 0.0117 1052 TRP 74 HB2 -0.0050 0.0127 0.0117 1053 TRP 74 HB3 -0.0041 0.0133 0.0116 1054 TRP 74 HD1 -0.0046 0.0134 0.0117 1055 TRP 74 HE1 -0.0061 0.0126 0.0118 1056 TRP 74 HE3 -0.0063 0.0106 0.0119 1057 TRP 74 HZ2 -0.0078 0.0109 0.0120 1058 TRP 74 HZ3 -0.0079 0.0094 0.0120 1059 TRP 74 HH2 -0.0086 0.0095 0.0121 1060 ALA 75 N -0.0007 0.0143 0.0079 1061 ALA 75 CA 0.0008 0.0108 0.0065 1062 ALA 75 C -0.0027 0.0091 0.0085 1063 ALA 75 O -0.0055 0.0065 0.0100 1064 ALA 75 CB 0.0023 0.0067 0.0049 1065 ALA 75 H -0.0021 0.0130 0.0087 1066 ALA 75 HA 0.0029 0.0123 0.0053 1067 ALA 75 HB1 0.0032 0.0044 0.0040 1068 ALA 75 HB2 0.0046 0.0079 0.0036 1069 ALA 75 HB3 0.0002 0.0053 0.0061 1070 ASN 76 N -0.0009 0.0155 0.0140 1071 ASN 76 CA -0.0071 0.0157 0.0155 1072 ASN 76 C -0.0094 0.0106 0.0134 1073 ASN 76 O -0.0149 0.0094 0.0141 1074 ASN 76 CB -0.0075 0.0209 0.0184 1075 ASN 76 CG -0.0108 0.0252 0.0214 1076 ASN 76 OD1 -0.0158 0.0240 0.0220 1077 ASN 76 ND2 -0.0079 0.0303 0.0234 1078 ASN 76 H 0.0018 0.0177 0.0145 1079 ASN 76 HA -0.0097 0.0159 0.0163 1080 ASN 76 HB2 -0.0034 0.0226 0.0183 1081 ASN 76 HB3 -0.0097 0.0199 0.0184 1082 ASN 76 HD21 -0.0044 0.0310 0.0230 1083 ASN 76 HD22 -0.0096 0.0329 0.0252 1084 ASP 77 N -0.0004 -0.0128 0.0020 1085 ASP 77 CA -0.0019 -0.0324 -0.0006 1086 ASP 77 C -0.0090 -0.0404 0.0056 1087 ASP 77 O -0.0182 -0.0520 0.0134 1088 ASP 77 CB 0.0103 -0.0390 -0.0157 1089 ASP 77 CG 0.0202 -0.0322 -0.0253 1090 ASP 77 OD1 0.0189 -0.0213 -0.0215 1091 ASP 77 OD2 0.0302 -0.0380 -0.0377 1092 ASP 77 H 0.0068 -0.0076 -0.0050 1093 ASP 77 HA -0.0068 -0.0368 0.0039 1094 ASP 77 HB2 0.0089 -0.0520 -0.0169 1095 ASP 77 HB3 0.0134 -0.0353 -0.0183 1096 VAL 78 N -0.0032 -0.0128 0.0067 1097 VAL 78 CA -0.0059 -0.0150 0.0102 1098 VAL 78 C -0.0102 -0.0109 0.0152 1099 VAL 78 O -0.0130 -0.0126 0.0188 1100 VAL 78 CB -0.0035 -0.0149 0.0073 1101 VAL 78 CG1 0.0003 -0.0199 0.0029 1102 VAL 78 CG2 -0.0021 -0.0078 0.0051 1103 VAL 78 H -0.0015 -0.0097 0.0044 1104 VAL 78 HA -0.0066 -0.0197 0.0114 1105 VAL 78 HB -0.0055 -0.0162 0.0098 1106 VAL 78 HG11 0.0017 -0.0198 0.0012 1107 VAL 78 HG12 -0.0007 -0.0244 0.0044 1108 VAL 78 HG13 0.0023 -0.0186 0.0004 1109 VAL 78 HG21 -0.0010 -0.0077 0.0037 1110 VAL 78 HG22 0.0001 -0.0066 0.0023 1111 VAL 78 HG23 -0.0046 -0.0046 0.0079 1112 SER 79 N -0.0110 -0.0026 0.0109 1113 SER 79 CA -0.0116 -0.0006 0.0138 1114 SER 79 C -0.0096 0.0001 0.0127 1115 SER 79 O -0.0110 -0.0004 0.0134 1116 SER 79 CB -0.0154 -0.0020 0.0160 1117 SER 79 OG -0.0170 -0.0019 0.0177 1118 SER 79 H -0.0104 -0.0019 0.0111 1119 SER 79 HA -0.0107 0.0014 0.0153 1120 SER 79 HB2 -0.0165 -0.0042 0.0145 1121 SER 79 HB3 -0.0157 -0.0008 0.0176 1122 SER 79 HG -0.0191 -0.0026 0.0189 1123 ARG 80 N -0.0059 0.0030 0.0107 1124 ARG 80 CA -0.0057 0.0031 0.0106 1125 ARG 80 C -0.0042 0.0052 0.0102 1126 ARG 80 O -0.0029 0.0060 0.0097 1127 ARG 80 CB -0.0047 0.0010 0.0098 1128 ARG 80 CG -0.0058 -0.0013 0.0100 1129 ARG 80 CD -0.0079 -0.0016 0.0111 1130 ARG 80 NE -0.0087 -0.0040 0.0111 1131 ARG 80 CZ -0.0106 -0.0048 0.0119 1132 ARG 80 NH1 -0.0121 -0.0034 0.0129 1133 ARG 80 NH2 -0.0111 -0.0071 0.0118 1134 ARG 80 H -0.0047 0.0033 0.0102 1135 ARG 80 HA -0.0070 0.0032 0.0113 1136 ARG 80 HB2 -0.0033 0.0010 0.0090 1137 ARG 80 HB3 -0.0047 0.0012 0.0098 1138 ARG 80 HG2 -0.0059 -0.0014 0.0100 1139 ARG 80 HG3 -0.0050 -0.0025 0.0094 1140 ARG 80 HD2 -0.0079 -0.0011 0.0111 1141 ARG 80 HD3 -0.0089 -0.0007 0.0117 1142 ARG 80 HE -0.0078 -0.0050 0.0104 1143 ARG 80 HH11 -0.0118 -0.0020 0.0130 1144 ARG 80 HH12 -0.0134 -0.0039 0.0135 1145 ARG 80 HH21 -0.0102 -0.0080 0.0112 1146 ARG 80 HH22 -0.0124 -0.0076 0.0124 1147 PHE 81 N -0.0040 0.0075 0.0070 1148 PHE 81 CA -0.0042 0.0070 0.0073 1149 PHE 81 C -0.0042 0.0067 0.0081 1150 PHE 81 O -0.0043 0.0065 0.0084 1151 PHE 81 CB -0.0048 0.0065 0.0068 1152 PHE 81 CG -0.0049 0.0067 0.0060 1153 PHE 81 CD1 -0.0048 0.0070 0.0058 1154 PHE 81 CD2 -0.0051 0.0067 0.0054 1155 PHE 81 CE1 -0.0049 0.0072 0.0051 1156 PHE 81 CE2 -0.0052 0.0069 0.0047 1157 PHE 81 CZ -0.0051 0.0071 0.0045 1158 PHE 81 H -0.0042 0.0073 0.0068 1159 PHE 81 HA -0.0041 0.0073 0.0072 1160 PHE 81 HB2 -0.0049 0.0063 0.0068 1161 PHE 81 HB3 -0.0049 0.0062 0.0070 1162 PHE 81 HD1 -0.0047 0.0070 0.0062 1163 PHE 81 HD2 -0.0052 0.0066 0.0055 1164 PHE 81 HE1 -0.0048 0.0073 0.0050 1165 PHE 81 HE2 -0.0053 0.0069 0.0043 1166 PHE 81 HZ -0.0052 0.0073 0.0040 1167 LEU 82 N -0.0037 0.0074 0.0075 1168 LEU 82 CA -0.0024 0.0066 0.0063 1169 LEU 82 C -0.0012 0.0081 0.0058 1170 LEU 82 O -0.0009 0.0096 0.0059 1171 LEU 82 CB -0.0016 0.0058 0.0055 1172 LEU 82 CG -0.0026 0.0043 0.0059 1173 LEU 82 CD1 -0.0016 0.0034 0.0050 1174 LEU 82 CD2 -0.0033 0.0028 0.0061 1175 LEU 82 H -0.0034 0.0082 0.0075 1176 LEU 82 HA -0.0027 0.0058 0.0064 1177 LEU 82 HB2 -0.0013 0.0067 0.0055 1178 LEU 82 HB3 -0.0008 0.0052 0.0048 1179 LEU 82 HG -0.0034 0.0048 0.0066 1180 LEU 82 HD11 -0.0022 0.0025 0.0052 1181 LEU 82 HD12 -0.0012 0.0044 0.0049 1182 LEU 82 HD13 -0.0008 0.0029 0.0042 1183 LEU 82 HD21 -0.0038 0.0018 0.0062 1184 LEU 82 HD22 -0.0025 0.0023 0.0054 1185 LEU 82 HD23 -0.0040 0.0033 0.0067 1186 CYS 83 N -0.0017 0.0057 0.0060 1187 CYS 83 CA -0.0001 0.0059 0.0063 1188 CYS 83 C 0.0006 0.0054 0.0057 1189 CYS 83 O 0.0007 0.0045 0.0046 1190 CYS 83 CB 0.0007 0.0056 0.0059 1191 CYS 83 SG 0.0027 0.0059 0.0062 1192 CYS 83 H -0.0019 0.0051 0.0053 1193 CYS 83 HA -0.0000 0.0066 0.0071 1194 CYS 83 HB2 0.0002 0.0059 0.0062 1195 CYS 83 HB3 0.0006 0.0049 0.0050 1196 PRO 84 N 0.0005 0.0060 0.0076 1197 PRO 84 CA 0.0006 0.0059 0.0075 1198 PRO 84 C 0.0039 0.0041 0.0067 1199 PRO 84 O 0.0041 0.0039 0.0062 1200 PRO 84 CB -0.0001 0.0075 0.0112 1201 PRO 84 CG 0.0013 0.0077 0.0134 1202 PRO 84 CD 0.0007 0.0072 0.0112 1203 PRO 84 HA -0.0013 0.0061 0.0057 1204 PRO 84 HB2 0.0011 0.0073 0.0119 1205 PRO 84 HB3 -0.0025 0.0087 0.0112 1206 PRO 84 HG2 0.0037 0.0069 0.0142 1207 PRO 84 HG3 0.0001 0.0090 0.0155 1208 PRO 84 HD2 0.0025 0.0066 0.0118 1209 PRO 84 HD3 -0.0014 0.0083 0.0116 1210 CYS 85 N 0.0046 0.0039 0.0045 1211 CYS 85 CA 0.0074 0.0036 0.0031 1212 CYS 85 C 0.0073 0.0022 0.0002 1213 CYS 85 O 0.0085 0.0015 -0.0014 1214 CYS 85 CB 0.0096 0.0044 0.0044 1215 CYS 85 SG 0.0108 0.0061 0.0075 1216 CYS 85 H 0.0044 0.0044 0.0054 1217 CYS 85 HA 0.0081 0.0038 0.0034 1218 CYS 85 HB2 0.0087 0.0045 0.0047 1219 CYS 85 HB3 0.0113 0.0040 0.0032 1220 HIS 86 N 0.0091 0.0037 -0.0046 1221 HIS 86 CA 0.0090 0.0023 -0.0067 1222 HIS 86 C 0.0063 0.0012 -0.0069 1223 HIS 86 O 0.0058 0.0002 -0.0081 1224 HIS 86 CB 0.0106 0.0024 -0.0074 1225 HIS 86 CG 0.0131 0.0036 -0.0069 1226 HIS 86 ND1 0.0137 0.0051 -0.0050 1227 HIS 86 CD2 0.0150 0.0035 -0.0080 1228 HIS 86 CE1 0.0160 0.0059 -0.0050 1229 HIS 86 NE2 0.0168 0.0050 -0.0068 1230 HIS 86 H 0.0083 0.0041 -0.0036 1231 HIS 86 HA 0.0095 0.0018 -0.0078 1232 HIS 86 HB2 0.0098 0.0027 -0.0066 1233 HIS 86 HB3 0.0107 0.0014 -0.0089 1234 HIS 86 HD2 0.0152 0.0027 -0.0093 1235 HIS 86 HE1 0.0168 0.0069 -0.0040 1236 HIS 86 HE2 0.0183 0.0052 -0.0072 1237 GLU 87 N 0.0067 0.0028 -0.0039 1238 GLU 87 CA -0.0002 -0.0023 -0.0027 1239 GLU 87 C 0.0028 -0.0009 0.0037 1240 GLU 87 O -0.0001 -0.0028 0.0016 1241 GLU 87 CB -0.0044 -0.0041 -0.0133 1242 GLU 87 CG -0.0080 -0.0059 -0.0200 1243 GLU 87 CD -0.0130 -0.0083 -0.0300 1244 GLU 87 OE1 -0.0185 -0.0123 -0.0294 1245 GLU 87 OE2 -0.0116 -0.0063 -0.0383 1246 GLU 87 H 0.0060 0.0019 -0.0008 1247 GLU 87 HA -0.0045 -0.0059 0.0011 1248 GLU 87 HB2 -0.0003 -0.0006 -0.0172 1249 GLU 87 HB3 -0.0092 -0.0077 -0.0122 1250 GLU 87 HG2 -0.0117 -0.0091 -0.0159 1251 GLU 87 HG3 -0.0032 -0.0022 -0.0219 1252 GLY 88 N 0.0017 0.0013 0.0013 1253 GLY 88 CA 0.0008 0.0016 0.0026 1254 GLY 88 C -0.0011 0.0009 0.0038 1255 GLY 88 O -0.0014 0.0011 0.0043 1256 GLY 88 H 0.0025 0.0022 0.0014 1257 GLY 88 HA2 0.0007 0.0011 0.0020 1258 GLY 88 HA3 0.0014 0.0027 0.0034 1259 VAL 89 N -0.0011 0.0005 0.0051 1260 VAL 89 CA -0.0025 -0.0000 0.0061 1261 VAL 89 C -0.0037 0.0005 0.0076 1262 VAL 89 O -0.0040 0.0001 0.0076 1263 VAL 89 CB -0.0031 -0.0022 0.0056 1264 VAL 89 CG1 -0.0045 -0.0027 0.0067 1265 VAL 89 CG2 -0.0018 -0.0029 0.0041 1266 VAL 89 H -0.0013 0.0003 0.0051 1267 VAL 89 HA -0.0023 0.0006 0.0062 1268 VAL 89 HB -0.0033 -0.0028 0.0055 1269 VAL 89 HG11 -0.0047 -0.0040 0.0062 1270 VAL 89 HG12 -0.0053 -0.0025 0.0076 1271 VAL 89 HG13 -0.0042 -0.0019 0.0069 1272 VAL 89 HG21 -0.0022 -0.0042 0.0038 1273 VAL 89 HG22 -0.0015 -0.0022 0.0041 1274 VAL 89 HG23 -0.0010 -0.0026 0.0034 1275 PHE 90 N -0.0036 0.0029 0.0048 1276 PHE 90 CA -0.0044 0.0033 0.0057 1277 PHE 90 C -0.0055 0.0030 0.0063 1278 PHE 90 O -0.0054 0.0031 0.0063 1279 PHE 90 CB -0.0040 0.0046 0.0062 1280 PHE 90 CG -0.0029 0.0051 0.0056 1281 PHE 90 CD1 -0.0020 0.0054 0.0051 1282 PHE 90 CD2 -0.0027 0.0052 0.0055 1283 PHE 90 CE1 -0.0009 0.0057 0.0045 1284 PHE 90 CE2 -0.0017 0.0056 0.0050 1285 PHE 90 CZ -0.0008 0.0058 0.0045 1286 PHE 90 H -0.0036 0.0032 0.0049 1287 PHE 90 HA -0.0046 0.0029 0.0055 1288 PHE 90 HB2 -0.0040 0.0051 0.0065 1289 PHE 90 HB3 -0.0045 0.0048 0.0067 1290 PHE 90 HD1 -0.0021 0.0053 0.0052 1291 PHE 90 HD2 -0.0033 0.0050 0.0059 1292 PHE 90 HE1 -0.0003 0.0059 0.0042 1293 PHE 90 HE2 -0.0016 0.0056 0.0050 1294 PHE 90 HZ -0.0001 0.0061 0.0041 1295 ASP 91 N -0.0059 0.0011 0.0086 1296 ASP 91 CA -0.0056 0.0011 0.0084 1297 ASP 91 C -0.0062 0.0023 0.0075 1298 ASP 91 O -0.0068 0.0031 0.0070 1299 ASP 91 CB -0.0061 0.0003 0.0096 1300 ASP 91 CG -0.0077 0.0006 0.0101 1301 ASP 91 OD1 -0.0085 0.0016 0.0095 1302 ASP 91 OD2 -0.0082 -0.0001 0.0112 1303 ASP 91 H -0.0066 0.0009 0.0092 1304 ASP 91 HA -0.0046 0.0009 0.0082 1305 ASP 91 HB2 -0.0057 0.0002 0.0095 1306 ASP 91 HB3 -0.0058 -0.0004 0.0102 1307 VAL 92 N -0.0055 0.0034 0.0063 1308 VAL 92 CA -0.0056 0.0033 0.0059 1309 VAL 92 C -0.0057 0.0022 0.0048 1310 VAL 92 O -0.0057 0.0019 0.0045 1311 VAL 92 CB -0.0055 0.0047 0.0054 1312 VAL 92 CG1 -0.0056 0.0051 0.0041 1313 VAL 92 CG2 -0.0055 0.0049 0.0055 1314 VAL 92 H -0.0055 0.0041 0.0060 1315 VAL 92 HA -0.0055 0.0031 0.0066 1316 VAL 92 HB -0.0055 0.0054 0.0061 1317 VAL 92 HG11 -0.0056 0.0061 0.0039 1318 VAL 92 HG12 -0.0056 0.0049 0.0040 1319 VAL 92 HG13 -0.0056 0.0046 0.0034 1320 VAL 92 HG21 -0.0055 0.0058 0.0052 1321 VAL 92 HG22 -0.0056 0.0043 0.0048 1322 VAL 92 HG23 -0.0055 0.0047 0.0064 1323 ASN 93 N -0.0047 0.0014 -0.0005 1324 ASN 93 CA -0.0045 0.0005 -0.0013 1325 ASN 93 C -0.0049 -0.0005 -0.0007 1326 ASN 93 O -0.0047 -0.0013 -0.0012 1327 ASN 93 CB -0.0042 0.0009 -0.0021 1328 ASN 93 CG -0.0038 0.0018 -0.0028 1329 ASN 93 OD1 -0.0037 0.0016 -0.0031 1330 ASN 93 ND2 -0.0036 0.0027 -0.0031 1331 ASN 93 H -0.0047 0.0019 -0.0004 1332 ASN 93 HA -0.0044 0.0001 -0.0016 1333 ASN 93 HB2 -0.0043 0.0014 -0.0017 1334 ASN 93 HB3 -0.0041 0.0003 -0.0026 1335 ASN 93 HD21 -0.0037 0.0028 -0.0028 1336 ASN 93 HD22 -0.0034 0.0032 -0.0035 1337 GLY 94 N -0.0044 0.0033 -0.0002 1338 GLY 94 CA -0.0048 0.0040 -0.0005 1339 GLY 94 C -0.0049 0.0042 -0.0001 1340 GLY 94 O -0.0053 0.0048 -0.0004 1341 GLY 94 H -0.0042 0.0029 -0.0005 1342 GLY 94 HA2 -0.0047 0.0040 -0.0012 1343 GLY 94 HA3 -0.0051 0.0045 -0.0004 1344 LYS 95 N -0.0102 0.0036 0.0048 1345 LYS 95 CA -0.0113 0.0015 0.0086 1346 LYS 95 C -0.0078 -0.0001 0.0077 1347 LYS 95 O -0.0038 -0.0016 0.0061 1348 LYS 95 CB -0.0113 -0.0014 0.0126 1349 LYS 95 CG -0.0127 -0.0035 0.0167 1350 LYS 95 CD -0.0113 -0.0071 0.0203 1351 LYS 95 CE -0.0121 -0.0094 0.0242 1352 LYS 95 NZ -0.0134 -0.0080 0.0235 1353 LYS 95 H -0.0089 0.0025 0.0051 1354 LYS 95 HA -0.0142 0.0031 0.0091 1355 LYS 95 HB2 -0.0134 -0.0003 0.0130 1356 LYS 95 HB3 -0.0084 -0.0030 0.0121 1357 LYS 95 HG2 -0.0112 -0.0040 0.0161 1358 LYS 95 HG3 -0.0159 -0.0021 0.0177 1359 LYS 95 HD2 -0.0131 -0.0066 0.0212 1360 LYS 95 HD3 -0.0082 -0.0083 0.0192 1361 LYS 95 HE2 -0.0144 -0.0096 0.0266 1362 LYS 95 HE3 -0.0093 -0.0117 0.0249 1363 LYS 95 HZ1 -0.0113 -0.0078 0.0214 1364 LYS 95 HZ2 -0.0139 -0.0095 0.0259 1365 LYS 95 HZ3 -0.0160 -0.0059 0.0229 1366 THR 96 N -0.0044 0.0019 0.0084 1367 THR 96 CA -0.0030 0.0009 0.0070 1368 THR 96 C -0.0034 -0.0014 0.0070 1369 THR 96 O -0.0044 -0.0022 0.0077 1370 THR 96 CB -0.0021 0.0014 0.0064 1371 THR 96 OG1 -0.0021 0.0035 0.0067 1372 THR 96 CG2 -0.0004 0.0008 0.0049 1373 THR 96 H -0.0047 0.0025 0.0087 1374 THR 96 HA -0.0023 0.0014 0.0065 1375 THR 96 HB -0.0027 0.0007 0.0067 1376 THR 96 HG1 -0.0016 0.0038 0.0064 1377 THR 96 HG21 0.0003 0.0016 0.0044 1378 THR 96 HG22 -0.0004 -0.0007 0.0046 1379 THR 96 HG23 -0.0000 0.0010 0.0046 1380 ILE 97 N -0.0051 -0.0040 0.0100 1381 ILE 97 CA -0.0053 -0.0066 0.0098 1382 ILE 97 C -0.0036 -0.0077 0.0082 1383 ILE 97 O -0.0037 -0.0099 0.0079 1384 ILE 97 CB -0.0063 -0.0074 0.0104 1385 ILE 97 CG1 -0.0051 -0.0067 0.0096 1386 ILE 97 CG2 -0.0082 -0.0064 0.0121 1387 ILE 97 CD1 -0.0060 -0.0077 0.0101 1388 ILE 97 H -0.0043 -0.0033 0.0095 1389 ILE 97 HA -0.0062 -0.0071 0.0104 1390 ILE 97 HB -0.0065 -0.0092 0.0103 1391 ILE 97 HG12 -0.0049 -0.0050 0.0097 1392 ILE 97 HG13 -0.0039 -0.0074 0.0085 1393 ILE 97 HG21 -0.0089 -0.0072 0.0125 1394 ILE 97 HG22 -0.0089 -0.0067 0.0126 1395 ILE 97 HG23 -0.0080 -0.0047 0.0122 1396 ILE 97 HD11 -0.0050 -0.0074 0.0094 1397 ILE 97 HD12 -0.0063 -0.0094 0.0101 1398 ILE 97 HD13 -0.0071 -0.0069 0.0111 1399 SER 98 N -0.0035 -0.0053 0.0061 1400 SER 98 C -0.0007 -0.0037 0.0028 1401 SER 98 O -0.0006 -0.0020 0.0037 1402 SER 98 CA -0.0023 -0.0059 0.0038 1403 SER 98 CB -0.0024 -0.0081 0.0026 1404 SER 98 OG -0.0021 -0.0076 0.0023 1405 SER 98 H -0.0032 -0.0040 0.0065 1406 SER 98 HA -0.0023 -0.0063 0.0035 1407 SER 98 HB2 -0.0018 -0.0087 0.0011 1408 SER 98 HB3 -0.0035 -0.0094 0.0034 1409 SER 98 HG -0.0011 -0.0066 0.0015 1410 SER 98 CA -0.0023 -0.0059 0.0037 1411 SER 98 CB -0.0024 -0.0079 0.0027 1412 SER 98 OG -0.0015 -0.0090 0.0005 1413 SER 98 H -0.0032 -0.0040 0.0065 1414 SER 98 HA -0.0023 -0.0065 0.0034 1415 SER 98 HB2 -0.0035 -0.0091 0.0035 1416 SER 98 HB3 -0.0021 -0.0072 0.0026 1417 SER 98 HG -0.0006 -0.0079 -0.0002 1418 GLY 99 N 0.0004 -0.0027 -0.0001 1419 GLY 99 CA 0.0020 -0.0009 -0.0010 1420 GLY 99 C 0.0026 0.0008 -0.0006 1421 GLY 99 O 0.0018 0.0006 0.0005 1422 GLY 99 H 0.0003 -0.0038 -0.0008 1423 GLY 99 HA2 0.0027 -0.0015 -0.0026 1424 GLY 99 HA3 0.0021 -0.0002 -0.0005 1425 PRO 100 N 0.0042 0.0004 -0.0006 1426 PRO 100 CA 0.0044 0.0016 -0.0005 1427 PRO 100 C 0.0036 0.0037 0.0011 1428 PRO 100 O 0.0038 0.0049 0.0011 1429 PRO 100 CB 0.0063 0.0025 -0.0023 1430 PRO 100 CG 0.0069 0.0029 -0.0027 1431 PRO 100 CD 0.0058 0.0010 -0.0021 1432 PRO 100 HA 0.0040 0.0005 -0.0003 1433 PRO 100 HB2 0.0066 0.0039 -0.0022 1434 PRO 100 HB3 0.0069 0.0012 -0.0032 1435 PRO 100 HG2 0.0067 0.0045 -0.0021 1436 PRO 100 HG3 0.0081 0.0029 -0.0040 1437 PRO 100 HD2 0.0055 0.0015 -0.0017 1438 PRO 100 HD3 0.0063 -0.0004 -0.0030 1439 ALA 101 N 0.0024 0.0046 0.0033 1440 ALA 101 CA 0.0021 0.0055 0.0039 1441 ALA 101 C 0.0018 0.0057 0.0049 1442 ALA 101 O 0.0017 0.0049 0.0054 1443 ALA 101 CB 0.0020 0.0052 0.0043 1444 ALA 101 H 0.0025 0.0040 0.0033 1445 ALA 101 HA 0.0023 0.0062 0.0035 1446 ALA 101 HB1 0.0018 0.0058 0.0047 1447 ALA 101 HB2 0.0023 0.0051 0.0037 1448 ALA 101 HB3 0.0019 0.0045 0.0048 1449 PRO 102 N 0.0014 0.0075 0.0080 1450 PRO 102 CA 0.0008 0.0082 0.0099 1451 PRO 102 C 0.0023 0.0077 0.0089 1452 PRO 102 O 0.0019 0.0083 0.0104 1453 PRO 102 CB -0.0028 0.0085 0.0098 1454 PRO 102 CG -0.0036 0.0075 0.0066 1455 PRO 102 CD -0.0014 0.0072 0.0060 1456 PRO 102 HA 0.0015 0.0088 0.0120 1457 PRO 102 HB2 -0.0035 0.0086 0.0101 1458 PRO 102 HB3 -0.0038 0.0090 0.0113 1459 PRO 102 HG2 -0.0032 0.0071 0.0052 1460 PRO 102 HG3 -0.0058 0.0077 0.0064 1461 PRO 102 HD2 -0.0009 0.0065 0.0039 1462 PRO 102 HD3 -0.0023 0.0075 0.0067 1463 ARG 103 N 0.0026 0.0094 0.0059 1464 ARG 103 CA 0.0066 0.0087 -0.0000 1465 ARG 103 C 0.0082 0.0102 -0.0011 1466 ARG 103 O 0.0060 0.0110 0.0026 1467 ARG 103 CB 0.0054 0.0023 -0.0035 1468 ARG 103 CG 0.0012 -0.0025 -0.0016 1469 ARG 103 CD 0.0015 -0.0081 -0.0064 1470 ARG 103 NE 0.0052 -0.0072 -0.0106 1471 ARG 103 CZ 0.0070 -0.0106 -0.0158 1472 ARG 103 NH1 0.0055 -0.0155 -0.0175 1473 ARG 103 NH2 0.0104 -0.0092 -0.0193 1474 ARG 103 H 0.0015 0.0095 0.0075 1475 ARG 103 HA 0.0089 0.0114 -0.0011 1476 ARG 103 HB2 0.0079 0.0018 -0.0073 1477 ARG 103 HB3 0.0048 0.0017 -0.0032 1478 ARG 103 HG2 -0.0014 -0.0034 0.0013 1479 ARG 103 HG3 0.0011 -0.0011 -0.0002 1480 ARG 103 HD2 0.0020 -0.0094 -0.0080 1481 ARG 103 HD3 -0.0013 -0.0112 -0.0050 1482 ARG 103 HE 0.0062 -0.0041 -0.0096 1483 ARG 103 HH11 0.0033 -0.0165 -0.0153 1484 ARG 103 HH12 0.0068 -0.0177 -0.0209 1485 ARG 103 HH21 0.0114 -0.0062 -0.0181 1486 ARG 103 HH22 0.0117 -0.0114 -0.0227 1487 GLY 104 N 0.0016 0.0082 0.0003 1488 GLY 104 CA 0.0019 0.0070 -0.0001 1489 GLY 104 C 0.0011 0.0048 -0.0006 1490 GLY 104 O 0.0002 0.0041 -0.0006 1491 GLY 104 H 0.0028 0.0084 0.0001 1492 GLY 104 HA2 0.0011 0.0076 0.0002 1493 GLY 104 HA3 0.0034 0.0070 -0.0004 1494 MET 105 N -0.0002 0.0044 -0.0053 1495 MET 105 CA -0.0005 0.0027 -0.0042 1496 MET 105 C 0.0007 0.0006 -0.0054 1497 MET 105 O 0.0018 0.0008 -0.0073 1498 MET 105 CB -0.0011 0.0038 -0.0038 1499 MET 105 CG -0.0025 0.0054 -0.0022 1500 MET 105 SD -0.0031 0.0073 -0.0019 1501 MET 105 CE -0.0031 0.0053 -0.0012 1502 MET 105 H -0.0003 0.0057 -0.0056 1503 MET 105 HA -0.0012 0.0021 -0.0030 1504 MET 105 HB2 -0.0005 0.0046 -0.0050 1505 MET 105 HB3 -0.0011 0.0025 -0.0033 1506 MET 105 HG2 -0.0031 0.0044 -0.0009 1507 MET 105 HG3 -0.0025 0.0063 -0.0025 1508 MET 105 HE1 -0.0034 0.0061 -0.0010 1509 MET 105 HE2 -0.0022 0.0044 -0.0023 1510 MET 105 HE3 -0.0036 0.0043 -0.0000 1511 TYR 106 N 0.0043 -0.0013 -0.0141 1512 TYR 106 CA 0.0052 -0.0042 -0.0158 1513 TYR 106 C 0.0059 -0.0036 -0.0177 1514 TYR 106 O 0.0053 -0.0027 -0.0164 1515 TYR 106 CB 0.0044 -0.0071 -0.0137 1516 TYR 106 CG 0.0036 -0.0079 -0.0117 1517 TYR 106 CD1 0.0042 -0.0093 -0.0129 1518 TYR 106 CD2 0.0023 -0.0074 -0.0086 1519 TYR 106 CE1 0.0035 -0.0100 -0.0111 1520 TYR 106 CE2 0.0016 -0.0081 -0.0067 1521 TYR 106 CZ 0.0022 -0.0095 -0.0080 1522 TYR 106 OH 0.0015 -0.0102 -0.0061 1523 TYR 106 H 0.0036 -0.0015 -0.0122 1524 TYR 106 HA 0.0058 -0.0046 -0.0172 1525 TYR 106 HB2 0.0039 -0.0067 -0.0124 1526 TYR 106 HB3 0.0050 -0.0091 -0.0149 1527 TYR 106 HD1 0.0051 -0.0097 -0.0150 1528 TYR 106 HD2 0.0019 -0.0065 -0.0077 1529 TYR 106 HE1 0.0039 -0.0109 -0.0120 1530 TYR 106 HE2 0.0007 -0.0078 -0.0046 1531 TYR 106 HH 0.0018 -0.0095 -0.0069 1532 SER 107 N 0.0040 -0.0065 -0.0211 1533 SER 107 CA 0.0013 -0.0051 -0.0197 1534 SER 107 C 0.0036 -0.0056 -0.0176 1535 SER 107 O 0.0063 -0.0072 -0.0194 1536 SER 107 CB -0.0014 -0.0046 -0.0235 1537 SER 107 OG 0.0008 -0.0062 -0.0265 1538 SER 107 H 0.0055 -0.0076 -0.0230 1539 SER 107 HA -0.0002 -0.0039 -0.0175 1540 SER 107 HB2 -0.0033 -0.0036 -0.0225 1541 SER 107 HB3 -0.0028 -0.0043 -0.0248 1542 SER 107 HG 0.0018 -0.0065 -0.0255 1543 SER 107 N 0.0041 -0.0066 -0.0211 1544 SER 107 CA 0.0015 -0.0052 -0.0200 1545 SER 107 C 0.0039 -0.0057 -0.0174 1546 SER 107 O 0.0071 -0.0074 -0.0185 1547 SER 107 CB -0.0005 -0.0051 -0.0240 1548 SER 107 OG -0.0033 -0.0037 -0.0232 1549 SER 107 H 0.0056 -0.0076 -0.0231 1550 SER 107 HA -0.0005 -0.0039 -0.0182 1551 SER 107 HB2 -0.0019 -0.0049 -0.0257 1552 SER 107 HB3 0.0016 -0.0064 -0.0256 1553 SER 107 HG -0.0021 -0.0040 -0.0219 1554 TYR 108 N 0.0007 -0.0054 -0.0107 1555 TYR 108 CA 0.0017 -0.0043 -0.0085 1556 TYR 108 C 0.0015 -0.0048 -0.0059 1557 TYR 108 O 0.0001 -0.0067 -0.0052 1558 TYR 108 CB 0.0011 -0.0050 -0.0083 1559 TYR 108 CG 0.0016 -0.0041 -0.0103 1560 TYR 108 CD1 0.0010 -0.0047 -0.0130 1561 TYR 108 CD2 0.0027 -0.0027 -0.0097 1562 TYR 108 CE1 0.0015 -0.0038 -0.0149 1563 TYR 108 CE2 0.0033 -0.0018 -0.0116 1564 TYR 108 CZ 0.0026 -0.0024 -0.0142 1565 TYR 108 OH 0.0031 -0.0015 -0.0160 1566 TYR 108 H -0.0003 -0.0067 -0.0108 1567 TYR 108 HA 0.0028 -0.0028 -0.0090 1568 TYR 108 HB2 -0.0001 -0.0065 -0.0084 1569 TYR 108 HB3 0.0016 -0.0046 -0.0065 1570 TYR 108 HD1 0.0002 -0.0056 -0.0135 1571 TYR 108 HD2 0.0031 -0.0024 -0.0079 1572 TYR 108 HE1 0.0011 -0.0042 -0.0166 1573 TYR 108 HE2 0.0040 -0.0009 -0.0111 1574 TYR 108 HH 0.0032 -0.0015 -0.0154 1575 ARG 109 N 0.0041 -0.0071 -0.0048 1576 ARG 109 CA -0.0027 -0.0058 0.0088 1577 ARG 109 C -0.0055 -0.0056 0.0139 1578 ARG 109 O 0.0001 0.0011 0.0112 1579 ARG 109 CB 0.0012 0.0062 0.0147 1580 ARG 109 CG -0.0049 0.0091 0.0285 1581 ARG 109 CD -0.0004 0.0209 0.0333 1582 ARG 109 NE -0.0065 0.0233 0.0468 1583 ARG 109 CZ -0.0044 0.0343 0.0547 1584 ARG 109 NH1 0.0038 0.0441 0.0508 1585 ARG 109 NH2 -0.0105 0.0355 0.0669 1586 ARG 109 H 0.0091 -0.0010 -0.0072 1587 ARG 109 HA -0.0079 -0.0125 0.0108 1588 ARG 109 HB2 0.0028 0.0056 0.0113 1589 ARG 109 HB3 0.0065 0.0130 0.0126 1590 ARG 109 HG2 -0.0063 0.0102 0.0323 1591 ARG 109 HG3 -0.0102 0.0024 0.0310 1592 ARG 109 HD2 0.0014 0.0200 0.0292 1593 ARG 109 HD3 0.0047 0.0277 0.0316 1594 ARG 109 HE -0.0119 0.0173 0.0498 1595 ARG 109 HH11 0.0078 0.0433 0.0429 1596 ARG 109 HH12 0.0051 0.0511 0.0561 1597 ARG 109 HH21 -0.0157 0.0293 0.0695 1598 ARG 109 HH22 -0.0091 0.0426 0.0721 1599 THR 110 N -0.0056 -0.0040 0.0154 1600 THR 110 CA -0.0056 -0.0053 0.0152 1601 THR 110 C -0.0078 -0.0057 0.0202 1602 THR 110 O -0.0092 -0.0070 0.0234 1603 THR 110 CB -0.0051 -0.0105 0.0128 1604 THR 110 OG1 -0.0032 -0.0105 0.0083 1605 THR 110 CG2 -0.0050 -0.0119 0.0122 1606 THR 110 H -0.0066 -0.0056 0.0174 1607 THR 110 HA -0.0047 -0.0028 0.0137 1608 THR 110 HB -0.0062 -0.0131 0.0146 1609 THR 110 HG1 -0.0030 -0.0133 0.0069 1610 THR 110 HG21 -0.0045 -0.0149 0.0101 1611 THR 110 HG22 -0.0064 -0.0126 0.0152 1612 THR 110 HG23 -0.0042 -0.0092 0.0108 1613 THR 110 N -0.0056 -0.0040 0.0154 1614 THR 110 CA -0.0057 -0.0054 0.0152 1615 THR 110 C -0.0078 -0.0057 0.0202 1616 THR 110 O -0.0092 -0.0069 0.0234 1617 THR 110 CB -0.0052 -0.0106 0.0128 1618 THR 110 OG1 -0.0066 -0.0143 0.0154 1619 THR 110 CG2 -0.0031 -0.0107 0.0079 1620 THR 110 H -0.0066 -0.0056 0.0174 1621 THR 110 HA -0.0047 -0.0029 0.0136 1622 THR 110 HB -0.0052 -0.0115 0.0127 1623 THR 110 HG1 -0.0063 -0.0171 0.0139 1624 THR 110 HG21 -0.0032 -0.0137 0.0073 1625 THR 110 HG22 -0.0022 -0.0108 0.0057 1626 THR 110 HG23 -0.0026 -0.0077 0.0074 1627 LYS 111 N -0.0093 -0.0050 0.0244 1628 LYS 111 CA -0.0109 -0.0058 0.0284 1629 LYS 111 C -0.0094 -0.0075 0.0259 1630 LYS 111 O -0.0074 -0.0067 0.0211 1631 LYS 111 CB -0.0133 -0.0006 0.0313 1632 LYS 111 CG -0.0128 0.0042 0.0280 1633 LYS 111 CD -0.0153 0.0092 0.0311 1634 LYS 111 CE -0.0148 0.0141 0.0278 1635 LYS 111 NZ -0.0172 0.0189 0.0309 1636 LYS 111 H -0.0083 -0.0036 0.0215 1637 LYS 111 HA -0.0114 -0.0087 0.0310 1638 LYS 111 HB2 -0.0144 -0.0016 0.0342 1639 LYS 111 HB3 -0.0141 0.0008 0.0325 1640 LYS 111 HG2 -0.0118 0.0054 0.0251 1641 LYS 111 HG3 -0.0120 0.0029 0.0267 1642 LYS 111 HD2 -0.0163 0.0081 0.0340 1643 LYS 111 HD3 -0.0161 0.0104 0.0325 1644 LYS 111 HE2 -0.0139 0.0154 0.0252 1645 LYS 111 HE3 -0.0139 0.0129 0.0263 1646 LYS 111 HZ1 -0.0183 0.0194 0.0332 1647 LYS 111 HZ2 -0.0169 0.0220 0.0287 1648 LYS 111 HZ3 -0.0178 0.0183 0.0325 1649 VAL 112 N -0.0080 -0.0002 0.0142 1650 VAL 112 CA -0.0058 0.0014 0.0111 1651 VAL 112 C -0.0092 0.0042 0.0101 1652 VAL 112 O -0.0118 0.0036 0.0124 1653 VAL 112 CB -0.0028 -0.0011 0.0120 1654 VAL 112 CG1 -0.0005 0.0006 0.0088 1655 VAL 112 CG2 0.0004 -0.0042 0.0133 1656 VAL 112 H -0.0094 -0.0012 0.0161 1657 VAL 112 HA -0.0042 0.0023 0.0092 1658 VAL 112 HB -0.0044 -0.0020 0.0139 1659 VAL 112 HG11 0.0014 -0.0010 0.0093 1660 VAL 112 HG12 -0.0026 0.0025 0.0081 1661 VAL 112 HG13 0.0011 0.0015 0.0069 1662 VAL 112 HG21 0.0024 -0.0056 0.0137 1663 VAL 112 HG22 0.0019 -0.0034 0.0116 1664 VAL 112 HG23 -0.0011 -0.0054 0.0155 1665 GLU 113 N -0.0072 0.0056 0.0103 1666 GLU 113 CA -0.0104 0.0078 0.0077 1667 GLU 113 C -0.0067 0.0067 0.0003 1668 GLU 113 O -0.0062 0.0071 -0.0054 1669 GLU 113 CB -0.0179 0.0124 0.0062 1670 GLU 113 CG -0.0210 0.0147 0.0025 1671 GLU 113 CD -0.0282 0.0191 0.0005 1672 GLU 113 OE1 -0.0322 0.0208 0.0056 1673 GLU 113 OE2 -0.0298 0.0210 -0.0061 1674 GLU 113 H -0.0066 0.0057 0.0068 1675 GLU 113 HA -0.0102 0.0072 0.0116 1676 GLU 113 HB2 -0.0204 0.0132 0.0111 1677 GLU 113 HB3 -0.0183 0.0131 0.0028 1678 GLU 113 HG2 -0.0183 0.0138 -0.0022 1679 GLU 113 HG3 -0.0209 0.0142 0.0060 1680 ASN 114 N 0.0096 0.0045 -0.0197 1681 ASN 114 CA 0.0127 0.0013 -0.0254 1682 ASN 114 C 0.0090 0.0092 -0.0154 1683 ASN 114 O 0.0036 0.0032 -0.0146 1684 ASN 114 CB 0.0069 -0.0148 -0.0321 1685 ASN 114 CG 0.0111 -0.0225 -0.0424 1686 ASN 114 OD1 0.0217 -0.0164 -0.0484 1687 ASN 114 ND2 0.0029 -0.0359 -0.0447 1688 ASN 114 H 0.0159 0.0072 -0.0240 1689 ASN 114 HA 0.0219 0.0048 -0.0320 1690 ASN 114 HB2 -0.0024 -0.0187 -0.0258 1691 ASN 114 HB3 0.0096 -0.0166 -0.0362 1692 ASN 114 HD21 0.0049 -0.0408 -0.0505 1693 ASN 114 HD22 -0.0043 -0.0399 -0.0404 1694 ASN 115 N -0.0021 0.0113 -0.0125 1695 ASN 115 CA 0.0019 0.0131 -0.0095 1696 ASN 115 C 0.0015 0.0117 -0.0060 1697 ASN 115 O 0.0048 0.0132 -0.0037 1698 ASN 115 CB 0.0054 0.0164 -0.0126 1699 ASN 115 CG 0.0098 0.0185 -0.0098 1700 ASN 115 OD1 0.0107 0.0181 -0.0069 1701 ASN 115 ND2 0.0127 0.0206 -0.0106 1702 ASN 115 H -0.0030 0.0104 -0.0116 1703 ASN 115 HA 0.0029 0.0131 -0.0074 1704 ASN 115 HB2 0.0050 0.0170 -0.0155 1705 ASN 115 HB3 0.0050 0.0164 -0.0137 1706 ASN 115 HD21 0.0119 0.0208 -0.0127 1707 ASN 115 HD22 0.0153 0.0219 -0.0091 1708 ASN 115 N -0.0021 0.0113 -0.0125 1709 ASN 115 CA 0.0019 0.0131 -0.0094 1710 ASN 115 C 0.0015 0.0117 -0.0060 1711 ASN 115 O 0.0048 0.0131 -0.0035 1712 ASN 115 CB 0.0054 0.0164 -0.0125 1713 ASN 115 CG 0.0069 0.0181 -0.0151 1714 ASN 115 OD1 0.0068 0.0175 -0.0133 1715 ASN 115 ND2 0.0083 0.0204 -0.0193 1716 ASN 115 H -0.0030 0.0105 -0.0116 1717 ASN 115 HA 0.0029 0.0131 -0.0074 1718 ASN 115 HB2 0.0044 0.0164 -0.0149 1719 ASN 115 HB3 0.0079 0.0173 -0.0103 1720 ASN 115 HD21 0.0083 0.0207 -0.0204 1721 ASN 115 HD22 0.0091 0.0214 -0.0209 1722 THR 116 N 0.0001 0.0049 -0.0040 1723 THR 116 CA -0.0007 0.0039 -0.0015 1724 THR 116 C -0.0024 0.0018 0.0031 1725 THR 116 O -0.0052 0.0007 0.0033 1726 THR 116 CB -0.0042 0.0034 -0.0043 1727 THR 116 OG1 -0.0023 0.0053 -0.0084 1728 THR 116 CG2 -0.0055 0.0020 -0.0015 1729 THR 116 H -0.0024 0.0044 -0.0053 1730 THR 116 HA 0.0020 0.0047 -0.0009 1731 THR 116 HB -0.0069 0.0026 -0.0052 1732 THR 116 HG1 -0.0041 0.0051 -0.0099 1733 THR 116 HG21 -0.0070 0.0020 -0.0036 1734 THR 116 HG22 -0.0075 0.0006 0.0007 1735 THR 116 HG23 -0.0028 0.0025 0.0001 1736 VAL 117 N -0.0004 -0.0019 0.0041 1737 VAL 117 CA -0.0008 -0.0038 0.0059 1738 VAL 117 C -0.0020 -0.0039 0.0058 1739 VAL 117 O -0.0009 -0.0031 0.0052 1740 VAL 117 CB 0.0017 -0.0048 0.0071 1741 VAL 117 CG1 0.0013 -0.0068 0.0089 1742 VAL 117 CG2 0.0030 -0.0046 0.0070 1743 VAL 117 H 0.0012 -0.0014 0.0038 1744 VAL 117 HA -0.0019 -0.0045 0.0063 1745 VAL 117 HB 0.0028 -0.0042 0.0066 1746 VAL 117 HG11 0.0029 -0.0074 0.0097 1747 VAL 117 HG12 0.0009 -0.0069 0.0089 1748 VAL 117 HG13 -0.0001 -0.0074 0.0093 1749 VAL 117 HG21 0.0045 -0.0053 0.0079 1750 VAL 117 HG22 0.0018 -0.0051 0.0074 1751 VAL 117 HG23 0.0034 -0.0033 0.0059 1752 PHE 118 N -0.0029 -0.0031 0.0140 1753 PHE 118 CA -0.0046 -0.0026 0.0139 1754 PHE 118 C -0.0049 -0.0039 0.0159 1755 PHE 118 O -0.0052 -0.0049 0.0175 1756 PHE 118 CB -0.0070 -0.0016 0.0136 1757 PHE 118 CG -0.0070 -0.0001 0.0115 1758 PHE 118 CD1 -0.0074 0.0011 0.0100 1759 PHE 118 CD2 -0.0066 0.0001 0.0111 1760 PHE 118 CE1 -0.0075 0.0024 0.0082 1761 PHE 118 CE2 -0.0066 0.0014 0.0092 1762 PHE 118 CZ -0.0070 0.0026 0.0077 1763 PHE 118 H -0.0034 -0.0036 0.0149 1764 PHE 118 HA -0.0040 -0.0020 0.0129 1765 PHE 118 HB2 -0.0074 -0.0021 0.0145 1766 PHE 118 HB3 -0.0081 -0.0015 0.0138 1767 PHE 118 HD1 -0.0077 0.0009 0.0103 1768 PHE 118 HD2 -0.0064 -0.0007 0.0120 1769 PHE 118 HE1 -0.0078 0.0032 0.0072 1770 PHE 118 HE2 -0.0064 0.0016 0.0089 1771 PHE 118 HZ -0.0070 0.0035 0.0064 1772 VAL 119 N -0.0026 -0.0032 0.0099 1773 VAL 119 CA -0.0022 -0.0014 0.0082 1774 VAL 119 C -0.0010 0.0027 0.0082 1775 VAL 119 O -0.0007 0.0040 0.0076 1776 VAL 119 CB -0.0030 -0.0026 0.0041 1777 VAL 119 CG1 -0.0042 -0.0065 0.0042 1778 VAL 119 CG2 -0.0031 -0.0018 0.0018 1779 VAL 119 H -0.0026 -0.0028 0.0088 1780 VAL 119 HA -0.0022 -0.0020 0.0096 1781 VAL 119 HB -0.0027 -0.0012 0.0031 1782 VAL 119 HG11 -0.0047 -0.0073 0.0016 1783 VAL 119 HG12 -0.0042 -0.0070 0.0055 1784 VAL 119 HG13 -0.0044 -0.0079 0.0054 1785 VAL 119 HG21 -0.0036 -0.0028 -0.0006 1786 VAL 119 HG22 -0.0033 -0.0029 0.0029 1787 VAL 119 HG23 -0.0023 0.0007 0.0015 1788 ASP 120 N 0.0019 0.0058 0.0093 1789 ASP 120 CA 0.0077 0.0154 0.0097 1790 ASP 120 C 0.0092 0.0191 -0.0011 1791 ASP 120 O 0.0091 0.0194 -0.0050 1792 ASP 120 CB 0.0098 0.0182 0.0166 1793 ASP 120 CG 0.0158 0.0282 0.0166 1794 ASP 120 OD1 0.0183 0.0330 0.0119 1795 ASP 120 OD2 0.0178 0.0311 0.0213 1796 ASP 120 H 0.0004 0.0034 0.0091 1797 ASP 120 HA 0.0092 0.0176 0.0123 1798 ASP 120 HB2 0.0090 0.0162 0.0235 1799 ASP 120 HB3 0.0081 0.0156 0.0142 1800 TYR 121 N 0.0047 0.0128 -0.0086 1801 TYR 121 CA 0.0025 0.0154 -0.0115 1802 TYR 121 C 0.0026 0.0204 -0.0108 1803 TYR 121 O 0.0009 0.0230 -0.0129 1804 TYR 121 CB -0.0000 0.0141 -0.0151 1805 TYR 121 CG -0.0003 0.0152 -0.0154 1806 TYR 121 CD1 0.0008 0.0124 -0.0142 1807 TYR 121 CD2 -0.0016 0.0192 -0.0168 1808 TYR 121 CE1 0.0005 0.0135 -0.0145 1809 TYR 121 CE2 -0.0018 0.0203 -0.0170 1810 TYR 121 CZ -0.0008 0.0175 -0.0159 1811 TYR 121 OH -0.0011 0.0187 -0.0162 1812 TYR 121 H 0.0045 0.0114 -0.0091 1813 TYR 121 HA 0.0024 0.0148 -0.0117 1814 TYR 121 HB2 -0.0015 0.0155 -0.0170 1815 TYR 121 HB3 -0.0000 0.0109 -0.0155 1816 TYR 121 HD1 0.0016 0.0097 -0.0133 1817 TYR 121 HD2 -0.0023 0.0211 -0.0176 1818 TYR 121 HE1 0.0012 0.0116 -0.0137 1819 TYR 121 HE2 -0.0027 0.0230 -0.0179 1820 TYR 121 HH -0.0019 0.0212 -0.0170 1821 ALA 122 N 0.0257 0.0375 -0.0152 1822 ALA 122 CA 0.0341 0.0529 -0.0162 1823 ALA 122 C 0.0361 0.0552 -0.0145 1824 ALA 122 O 0.0431 0.0676 -0.0147 1825 ALA 122 CB 0.0427 0.0595 -0.0042 1826 ALA 122 H 0.0269 0.0330 -0.0058 1827 ALA 122 HA 0.0330 0.0583 -0.0264 1828 ALA 122 HB1 0.0479 0.0700 -0.0062 1829 ALA 122 HB2 0.0411 0.0573 -0.0052 1830 ALA 122 HB3 0.0445 0.0553 0.0061 1831 ALA 123 N 0.0330 0.0324 -0.0081 1832 ALA 123 CA 0.0296 0.0278 -0.0072 1833 ALA 123 C 0.0246 0.0181 -0.0158 1834 ALA 123 O 0.0179 0.0097 -0.0121 1835 ALA 123 CB 0.0251 0.0256 0.0056 1836 ALA 123 H 0.0300 0.0282 -0.0081 1837 ALA 123 HA 0.0333 0.0324 -0.0095 1838 ALA 123 HB1 0.0252 0.0262 0.0073 1839 ALA 123 HB2 0.0273 0.0304 0.0111 1840 ALA 123 HB3 0.0202 0.0189 0.0063 1841 ILE 124 N 0.0225 -0.0015 -0.0185 1842 ILE 124 CA 0.0194 -0.0032 -0.0221 1843 ILE 124 C 0.0199 -0.0039 -0.0267 1844 ILE 124 O 0.0238 -0.0029 -0.0284 1845 ILE 124 CB 0.0207 -0.0030 -0.0230 1846 ILE 124 CG1 0.0200 -0.0023 -0.0182 1847 ILE 124 CG2 0.0177 -0.0046 -0.0270 1848 ILE 124 CD1 0.0228 -0.0014 -0.0181 1849 ILE 124 H 0.0254 -0.0007 -0.0189 1850 ILE 124 HA 0.0161 -0.0040 -0.0208 1851 ILE 124 HB 0.0240 -0.0021 -0.0241 1852 ILE 124 HG12 0.0166 -0.0033 -0.0177 1853 ILE 124 HG13 0.0209 -0.0015 -0.0155 1854 ILE 124 HG21 0.0179 -0.0046 -0.0270 1855 ILE 124 HG22 0.0189 -0.0048 -0.0302 1856 ILE 124 HG23 0.0144 -0.0056 -0.0263 1857 ILE 124 HD11 0.0222 -0.0010 -0.0149 1858 ILE 124 HD12 0.0262 -0.0004 -0.0186 1859 ILE 124 HD13 0.0218 -0.0022 -0.0207 1860 THR 125 N 0.0247 -0.0272 -0.0340 1861 THR 125 CA 0.0234 -0.0314 -0.0497 1862 THR 125 C 0.0217 -0.0292 -0.0484 1863 THR 125 O 0.0152 -0.0195 -0.0400 1864 THR 125 CB 0.0123 -0.0241 -0.0617 1865 THR 125 OG1 0.0145 -0.0276 -0.0653 1866 THR 125 CG2 0.0096 -0.0267 -0.0774 1867 THR 125 OXT 0.0268 -0.0372 -0.0563 1868 THR 125 H 0.0183 -0.0193 -0.0305 1869 THR 125 HA 0.0305 -0.0402 -0.0538 1870 THR 125 HB 0.0054 -0.0153 -0.0570 1871 THR 125 HG1 0.0187 -0.0290 -0.0569 1872 THR 125 HG21 0.0049 -0.0249 -0.0863 1873 THR 125 HG22 0.0051 -0.0216 -0.0762 1874 THR 125 HG23 0.0170 -0.0354 -0.0803