1 ALA 8 N 0.0248 0.0175 -0.0129 2 ALA 8 CA 0.0266 0.0183 -0.0116 3 ALA 8 C 0.0257 0.0176 -0.0108 4 ALA 8 O 0.0271 0.0181 -0.0092 5 ALA 8 CB 0.0287 0.0201 -0.0133 6 ALA 8 HA 0.0272 0.0183 -0.0098 7 ALA 8 HB1 0.0299 0.0207 -0.0124 8 ALA 8 HB2 0.0294 0.0206 -0.0135 9 ALA 8 HB3 0.0282 0.0202 -0.0151 10 ASP 9 N 0.0230 0.0175 -0.0165 11 ASP 9 CA 0.0223 0.0169 -0.0154 12 ASP 9 C 0.0208 0.0171 -0.0153 13 ASP 9 O 0.0198 0.0175 -0.0158 14 ASP 9 CB 0.0223 0.0167 -0.0151 15 ASP 9 CG 0.0219 0.0160 -0.0137 16 ASP 9 OD1 0.0221 0.0155 -0.0129 17 ASP 9 OD2 0.0213 0.0159 -0.0134 18 ASP 9 H 0.0225 0.0179 -0.0171 19 ASP 9 HA 0.0227 0.0165 -0.0147 20 ASP 9 HB2 0.0233 0.0167 -0.0152 21 ASP 9 HB3 0.0217 0.0171 -0.0156 22 PHE 10 N 0.0116 0.0260 -0.0103 23 PHE 10 CA 0.0099 0.0241 -0.0104 24 PHE 10 C 0.0102 0.0244 -0.0105 25 PHE 10 O 0.0109 0.0260 -0.0091 26 PHE 10 CB 0.0081 0.0235 -0.0081 27 PHE 10 CG 0.0071 0.0223 -0.0083 28 PHE 10 CD1 0.0061 0.0201 -0.0098 29 PHE 10 CD2 0.0072 0.0232 -0.0070 30 PHE 10 CE1 0.0052 0.0190 -0.0099 31 PHE 10 CE2 0.0063 0.0220 -0.0071 32 PHE 10 CZ 0.0052 0.0199 -0.0086 33 PHE 10 H 0.0115 0.0268 -0.0088 34 PHE 10 HA 0.0098 0.0230 -0.0119 35 PHE 10 HB2 0.0085 0.0248 -0.0067 36 PHE 10 HB3 0.0072 0.0226 -0.0078 37 PHE 10 HD1 0.0060 0.0195 -0.0107 38 PHE 10 HD2 0.0079 0.0246 -0.0060 39 PHE 10 HE1 0.0045 0.0176 -0.0110 40 PHE 10 HE2 0.0063 0.0227 -0.0063 41 PHE 10 HZ 0.0046 0.0192 -0.0087 42 ILE 11 N 0.0100 0.0205 -0.0150 43 ILE 11 CA 0.0098 0.0211 -0.0134 44 ILE 11 C 0.0065 0.0209 -0.0130 45 ILE 11 O 0.0050 0.0200 -0.0151 46 ILE 11 CB 0.0115 0.0206 -0.0149 47 ILE 11 CG1 0.0148 0.0208 -0.0153 48 ILE 11 CG2 0.0110 0.0212 -0.0132 49 ILE 11 CD1 0.0163 0.0219 -0.0126 50 ILE 11 H 0.0092 0.0198 -0.0166 51 ILE 11 HA 0.0106 0.0218 -0.0116 52 ILE 11 HB 0.0107 0.0199 -0.0167 53 ILE 11 HG12 0.0149 0.0204 -0.0163 54 ILE 11 HG13 0.0157 0.0205 -0.0163 55 ILE 11 HG21 0.0125 0.0211 -0.0138 56 ILE 11 HG22 0.0091 0.0209 -0.0136 57 ILE 11 HG23 0.0112 0.0220 -0.0113 58 ILE 11 HD11 0.0184 0.0219 -0.0131 59 ILE 11 HD12 0.0162 0.0223 -0.0116 60 ILE 11 HD13 0.0155 0.0222 -0.0116 61 GLY 12 N 0.0030 0.0205 -0.0132 62 GLY 12 CA 0.0005 0.0191 -0.0127 63 GLY 12 C 0.0003 0.0181 -0.0147 64 GLY 12 O 0.0019 0.0189 -0.0152 65 GLY 12 H 0.0038 0.0215 -0.0120 66 GLY 12 HA2 -0.0006 0.0182 -0.0129 67 GLY 12 HA3 0.0000 0.0195 -0.0109 68 ILE 13 N -0.0048 0.0151 -0.0136 69 ILE 13 CA -0.0044 0.0139 -0.0155 70 ILE 13 C -0.0046 0.0119 -0.0154 71 ILE 13 O -0.0044 0.0107 -0.0169 72 ILE 13 CB -0.0043 0.0134 -0.0161 73 ILE 13 CG1 -0.0048 0.0122 -0.0145 74 ILE 13 CG2 -0.0039 0.0154 -0.0165 75 ILE 13 CD1 -0.0047 0.0113 -0.0153 76 ILE 13 H -0.0052 0.0144 -0.0126 77 ILE 13 HA -0.0040 0.0147 -0.0165 78 ILE 13 HB -0.0040 0.0126 -0.0173 79 ILE 13 HG12 -0.0051 0.0131 -0.0134 80 ILE 13 HG13 -0.0051 0.0111 -0.0141 81 ILE 13 HG21 -0.0038 0.0151 -0.0170 82 ILE 13 HG22 -0.0036 0.0162 -0.0175 83 ILE 13 HG23 -0.0042 0.0163 -0.0153 84 ILE 13 HD11 -0.0051 0.0105 -0.0143 85 ILE 13 HD12 -0.0045 0.0105 -0.0165 86 ILE 13 HD13 -0.0045 0.0124 -0.0156 87 GLY 14 N -0.0095 0.0028 -0.0205 88 GLY 14 CA -0.0113 -0.0012 -0.0197 89 GLY 14 C -0.0118 -0.0029 -0.0157 90 GLY 14 O -0.0107 -0.0010 -0.0136 91 GLY 14 H -0.0087 0.0041 -0.0183 92 GLY 14 HA2 -0.0114 -0.0014 -0.0196 93 GLY 14 HA3 -0.0121 -0.0027 -0.0220 94 LYS 15 N -0.0212 -0.0123 -0.0187 95 LYS 15 CA -0.0140 -0.0149 -0.0140 96 LYS 15 C -0.0123 -0.0110 -0.0124 97 LYS 15 O -0.0170 -0.0098 -0.0155 98 LYS 15 CB -0.0130 -0.0248 -0.0144 99 LYS 15 CG -0.0133 -0.0297 -0.0152 100 LYS 15 CD -0.0127 -0.0395 -0.0159 101 LYS 15 CE -0.0064 -0.0425 -0.0118 102 LYS 15 NZ -0.0060 -0.0521 -0.0127 103 LYS 15 H -0.0244 -0.0159 -0.0213 104 LYS 15 HA -0.0106 -0.0129 -0.0114 105 LYS 15 HB2 -0.0168 -0.0267 -0.0173 106 LYS 15 HB3 -0.0084 -0.0263 -0.0114 107 LYS 15 HG2 -0.0093 -0.0282 -0.0123 108 LYS 15 HG3 -0.0178 -0.0282 -0.0182 109 LYS 15 HD2 -0.0122 -0.0424 -0.0159 110 LYS 15 HD3 -0.0171 -0.0412 -0.0191 111 LYS 15 HE2 -0.0068 -0.0397 -0.0118 112 LYS 15 HE3 -0.0019 -0.0410 -0.0086 113 LYS 15 HZ1 -0.0101 -0.0537 -0.0157 114 LYS 15 HZ2 -0.0024 -0.0536 -0.0104 115 LYS 15 HZ3 -0.0051 -0.0549 -0.0124 116 LEU 16 N -0.0111 -0.0068 -0.0093 117 LEU 16 CA -0.0114 -0.0055 -0.0103 118 LEU 16 C -0.0138 -0.0070 -0.0109 119 LEU 16 O -0.0152 -0.0057 -0.0125 120 LEU 16 CB -0.0089 -0.0052 -0.0089 121 LEU 16 CG -0.0089 -0.0039 -0.0097 122 LEU 16 CD1 -0.0086 -0.0010 -0.0113 123 LEU 16 CD2 -0.0067 -0.0044 -0.0079 124 LEU 16 H -0.0097 -0.0072 -0.0081 125 LEU 16 HA -0.0115 -0.0037 -0.0114 126 LEU 16 HB2 -0.0074 -0.0041 -0.0086 127 LEU 16 HB3 -0.0087 -0.0069 -0.0077 128 LEU 16 HG -0.0106 -0.0047 -0.0102 129 LEU 16 HD11 -0.0087 -0.0003 -0.0117 130 LEU 16 HD12 -0.0100 -0.0007 -0.0123 131 LEU 16 HD13 -0.0069 -0.0002 -0.0107 132 LEU 16 HD21 -0.0068 -0.0038 -0.0084 133 LEU 16 HD22 -0.0051 -0.0035 -0.0075 134 LEU 16 HD23 -0.0069 -0.0063 -0.0069 135 ASP 17 N -0.0100 -0.0144 -0.0116 136 ASP 17 CA -0.0121 -0.0175 -0.0127 137 ASP 17 C -0.0183 -0.0180 -0.0159 138 ASP 17 O -0.0207 -0.0201 -0.0170 139 ASP 17 CB -0.0093 -0.0238 -0.0113 140 ASP 17 CG -0.0083 -0.0274 -0.0108 141 ASP 17 OD1 -0.0057 -0.0251 -0.0095 142 ASP 17 OD2 -0.0100 -0.0328 -0.0116 143 ASP 17 H -0.0086 -0.0168 -0.0110 144 ASP 17 HA -0.0110 -0.0151 -0.0122 145 ASP 17 HB2 -0.0117 -0.0262 -0.0125 146 ASP 17 HB3 -0.0058 -0.0231 -0.0095 147 ASP 18 N -0.0113 -0.0149 -0.0178 148 ASP 18 CA -0.0157 -0.0143 -0.0187 149 ASP 18 C -0.0167 -0.0100 -0.0173 150 ASP 18 O -0.0201 -0.0094 -0.0179 151 ASP 18 CB -0.0192 -0.0145 -0.0196 152 ASP 18 CG -0.0190 -0.0188 -0.0212 153 ASP 18 OD1 -0.0173 -0.0220 -0.0220 154 ASP 18 OD2 -0.0207 -0.0189 -0.0217 155 ASP 18 H -0.0112 -0.0149 -0.0178 156 ASP 18 HA -0.0160 -0.0166 -0.0196 157 ASP 18 HB2 -0.0186 -0.0125 -0.0187 158 ASP 18 HB3 -0.0220 -0.0139 -0.0201 159 PHE 19 N -0.0113 -0.0010 -0.0157 160 PHE 19 CA -0.0112 -0.0014 -0.0155 161 PHE 19 C -0.0109 -0.0028 -0.0148 162 PHE 19 O -0.0111 -0.0030 -0.0138 163 PHE 19 CB -0.0119 -0.0005 -0.0146 164 PHE 19 CG -0.0122 0.0008 -0.0153 165 PHE 19 CD1 -0.0120 0.0011 -0.0162 166 PHE 19 CD2 -0.0127 0.0017 -0.0151 167 PHE 19 CE1 -0.0123 0.0023 -0.0169 168 PHE 19 CE2 -0.0130 0.0030 -0.0157 169 PHE 19 CZ -0.0128 0.0032 -0.0167 170 PHE 19 H -0.0116 -0.0009 -0.0150 171 PHE 19 HA -0.0110 -0.0014 -0.0163 172 PHE 19 HB2 -0.0121 -0.0005 -0.0138 173 PHE 19 HB3 -0.0118 -0.0009 -0.0144 174 PHE 19 HD1 -0.0117 0.0005 -0.0164 175 PHE 19 HD2 -0.0128 0.0016 -0.0145 176 PHE 19 HE1 -0.0122 0.0025 -0.0175 177 PHE 19 HE2 -0.0133 0.0036 -0.0156 178 PHE 19 HZ -0.0130 0.0040 -0.0171 179 PRO 20 N -0.0062 -0.0032 -0.0139 180 PRO 20 CA -0.0046 -0.0027 -0.0134 181 PRO 20 C -0.0051 -0.0032 -0.0120 182 PRO 20 O -0.0061 -0.0039 -0.0107 183 PRO 20 CB -0.0030 -0.0023 -0.0125 184 PRO 20 CG -0.0036 -0.0024 -0.0132 185 PRO 20 CD -0.0057 -0.0031 -0.0133 186 PRO 20 HA -0.0041 -0.0023 -0.0146 187 PRO 20 HB2 -0.0029 -0.0026 -0.0111 188 PRO 20 HB3 -0.0018 -0.0018 -0.0130 189 PRO 20 HG2 -0.0031 -0.0024 -0.0123 190 PRO 20 HG3 -0.0031 -0.0019 -0.0145 191 PRO 20 HD2 -0.0062 -0.0036 -0.0120 192 PRO 20 HD3 -0.0062 -0.0031 -0.0143 193 VAL 21 N -0.0003 -0.0035 -0.0163 194 VAL 21 CA -0.0013 -0.0047 -0.0134 195 VAL 21 C 0.0003 -0.0057 -0.0099 196 VAL 21 O 0.0037 -0.0054 -0.0095 197 VAL 21 CB 0.0001 -0.0043 -0.0139 198 VAL 21 CG1 -0.0001 -0.0055 -0.0105 199 VAL 21 CG2 -0.0021 -0.0035 -0.0170 200 VAL 21 H 0.0011 -0.0028 -0.0179 201 VAL 21 HA -0.0040 -0.0050 -0.0132 202 VAL 21 HB 0.0028 -0.0037 -0.0146 203 VAL 21 HG11 0.0000 -0.0053 -0.0111 204 VAL 21 HG12 0.0020 -0.0058 -0.0089 205 VAL 21 HG13 -0.0025 -0.0062 -0.0094 206 VAL 21 HG21 -0.0012 -0.0033 -0.0173 207 VAL 21 HG22 -0.0047 -0.0040 -0.0164 208 VAL 21 HG23 -0.0018 -0.0027 -0.0192 209 GLY 22 N -0.0031 -0.0054 -0.0082 210 GLY 22 CA -0.0021 -0.0062 -0.0047 211 GLY 22 C -0.0017 -0.0061 -0.0047 212 GLY 22 O -0.0008 -0.0068 -0.0018 213 GLY 22 H -0.0055 -0.0054 -0.0083 214 GLY 22 HA2 -0.0041 -0.0066 -0.0029 215 GLY 22 HA3 0.0003 -0.0063 -0.0038 216 ILE 23 N -0.0019 -0.0048 -0.0052 217 ILE 23 CA -0.0012 -0.0048 -0.0048 218 ILE 23 C -0.0037 -0.0053 -0.0052 219 ILE 23 O -0.0047 -0.0048 -0.0075 220 ILE 23 CB 0.0010 -0.0036 -0.0066 221 ILE 23 CG1 0.0034 -0.0031 -0.0060 222 ILE 23 CG2 0.0016 -0.0035 -0.0062 223 ILE 23 CD1 0.0059 -0.0020 -0.0072 224 ILE 23 H -0.0026 -0.0045 -0.0068 225 ILE 23 HA -0.0005 -0.0052 -0.0029 226 ILE 23 HB 0.0003 -0.0031 -0.0084 227 ILE 23 HG12 0.0038 -0.0037 -0.0041 228 ILE 23 HG13 0.0030 -0.0030 -0.0067 229 ILE 23 HG21 0.0031 -0.0027 -0.0073 230 ILE 23 HG22 0.0000 -0.0038 -0.0067 231 ILE 23 HG23 0.0023 -0.0040 -0.0044 232 ILE 23 HD11 0.0072 -0.0017 -0.0070 233 ILE 23 HD12 0.0054 -0.0015 -0.0090 234 ILE 23 HD13 0.0066 -0.0022 -0.0062 235 PRO 24 N -0.0029 -0.0046 -0.0025 236 PRO 24 CA -0.0046 -0.0050 -0.0029 237 PRO 24 C -0.0036 -0.0037 -0.0041 238 PRO 24 O -0.0014 -0.0032 -0.0038 239 PRO 24 CB -0.0047 -0.0066 -0.0006 240 PRO 24 CG -0.0040 -0.0074 0.0007 241 PRO 24 CD -0.0021 -0.0060 -0.0003 242 PRO 24 HA -0.0062 -0.0050 -0.0035 243 PRO 24 HB2 -0.0035 -0.0065 -0.0002 244 PRO 24 HB3 -0.0063 -0.0072 -0.0005 245 PRO 24 HG2 -0.0034 -0.0082 0.0021 246 PRO 24 HG3 -0.0055 -0.0078 0.0007 247 PRO 24 HD2 -0.0004 -0.0059 0.0002 248 PRO 24 HD3 -0.0021 -0.0062 -0.0000 249 LYS 25 N -0.0042 -0.0018 -0.0072 250 LYS 25 CA -0.0037 -0.0007 -0.0087 251 LYS 25 C -0.0046 0.0005 -0.0090 252 LYS 25 O -0.0059 0.0010 -0.0082 253 LYS 25 CB -0.0039 -0.0000 -0.0092 254 LYS 25 CG -0.0029 -0.0011 -0.0093 255 LYS 25 CD -0.0014 -0.0016 -0.0104 256 LYS 25 CE -0.0003 -0.0030 -0.0102 257 LYS 25 NZ 0.0006 -0.0028 -0.0115 258 LYS 25 H -0.0051 -0.0014 -0.0066 259 LYS 25 HA -0.0028 -0.0012 -0.0093 260 LYS 25 HB2 -0.0049 0.0003 -0.0085 261 LYS 25 HB3 -0.0038 0.0008 -0.0102 262 LYS 25 HG2 -0.0030 -0.0019 -0.0083 263 LYS 25 HG3 -0.0031 -0.0006 -0.0096 264 LYS 25 HD2 -0.0012 -0.0009 -0.0114 265 LYS 25 HD3 -0.0013 -0.0018 -0.0103 266 LYS 25 HE2 0.0002 -0.0038 -0.0100 267 LYS 25 HE3 -0.0008 -0.0033 -0.0093 268 LYS 25 HZ1 0.0012 -0.0036 -0.0113 269 LYS 25 HZ2 0.0002 -0.0021 -0.0116 270 LYS 25 HZ3 0.0011 -0.0025 -0.0123 271 LYS 26 N 0.0034 0.0051 -0.0058 272 LYS 26 CA 0.0021 0.0023 -0.0049 273 LYS 26 C 0.0017 0.0016 -0.0063 274 LYS 26 O 0.0024 0.0031 -0.0061 275 LYS 26 CB 0.0024 0.0023 -0.0015 276 LYS 26 CG 0.0013 -0.0004 0.0000 277 LYS 26 CD 0.0016 -0.0003 0.0032 278 LYS 26 CE 0.0029 0.0021 0.0050 279 LYS 26 NZ 0.0028 0.0013 0.0082 280 LYS 26 H 0.0041 0.0063 -0.0048 281 LYS 26 HA 0.0014 0.0010 -0.0056 282 LYS 26 HB2 0.0029 0.0031 -0.0008 283 LYS 26 HB3 0.0030 0.0033 -0.0009 284 LYS 26 HG2 0.0010 -0.0010 0.0001 285 LYS 26 HG3 0.0005 -0.0016 -0.0010 286 LYS 26 HD2 0.0009 -0.0019 0.0043 287 LYS 26 HD3 0.0016 -0.0002 0.0032 288 LYS 26 HE2 0.0036 0.0036 0.0048 289 LYS 26 HE3 0.0032 0.0027 0.0043 290 LYS 26 HZ1 0.0023 0.0001 0.0087 291 LYS 26 HZ2 0.0036 0.0027 0.0093 292 LYS 26 HZ3 0.0025 0.0007 0.0086 293 VAL 27 N 0.0020 0.0066 -0.0100 294 VAL 27 CA 0.0020 0.0087 -0.0100 295 VAL 27 C 0.0024 0.0088 -0.0100 296 VAL 27 O 0.0020 0.0073 -0.0100 297 VAL 27 CB -0.0000 0.0098 -0.0097 298 VAL 27 CG1 -0.0004 0.0098 -0.0097 299 VAL 27 CG2 -0.0018 0.0087 -0.0095 300 VAL 27 H 0.0014 0.0058 -0.0099 301 VAL 27 HA 0.0031 0.0095 -0.0101 302 VAL 27 HB 0.0000 0.0112 -0.0098 303 VAL 27 HG11 -0.0016 0.0106 -0.0096 304 VAL 27 HG12 0.0008 0.0104 -0.0098 305 VAL 27 HG13 -0.0006 0.0084 -0.0097 306 VAL 27 HG21 -0.0030 0.0093 -0.0094 307 VAL 27 HG22 -0.0017 0.0073 -0.0095 308 VAL 27 HG23 -0.0017 0.0090 -0.0096 309 ALA 28 N 0.0096 0.0175 -0.0086 310 ALA 28 CA 0.0111 0.0172 -0.0085 311 ALA 28 C 0.0070 0.0172 -0.0089 312 ALA 28 O 0.0034 0.0192 -0.0090 313 ALA 28 CB 0.0139 0.0213 -0.0075 314 ALA 28 H 0.0100 0.0201 -0.0081 315 ALA 28 HA 0.0128 0.0144 -0.0087 316 ALA 28 HB1 0.0148 0.0210 -0.0074 317 ALA 28 HB2 0.0165 0.0213 -0.0072 318 ALA 28 HB3 0.0120 0.0240 -0.0072 319 VAL 29 N 0.0100 0.0180 -0.0090 320 VAL 29 CA 0.0091 0.0180 -0.0091 321 VAL 29 C 0.0111 0.0186 -0.0084 322 VAL 29 O 0.0128 0.0175 -0.0088 323 VAL 29 CB 0.0084 0.0161 -0.0104 324 VAL 29 CG1 0.0075 0.0163 -0.0105 325 VAL 29 CG2 0.0067 0.0154 -0.0112 326 VAL 29 H 0.0111 0.0172 -0.0093 327 VAL 29 HA 0.0079 0.0189 -0.0087 328 VAL 29 HB 0.0097 0.0151 -0.0108 329 VAL 29 HG11 0.0068 0.0151 -0.0113 330 VAL 29 HG12 0.0087 0.0165 -0.0101 331 VAL 29 HG13 0.0064 0.0173 -0.0100 332 VAL 29 HG21 0.0062 0.0142 -0.0120 333 VAL 29 HG22 0.0055 0.0163 -0.0108 334 VAL 29 HG23 0.0074 0.0151 -0.0112 335 THR 30 N 0.0130 0.0223 -0.0096 336 THR 30 CA 0.0146 0.0218 -0.0079 337 THR 30 C 0.0133 0.0207 -0.0097 338 THR 30 O 0.0117 0.0227 -0.0110 339 THR 30 CB 0.0154 0.0252 -0.0061 340 THR 30 OG1 0.0134 0.0280 -0.0076 341 THR 30 CG2 0.0169 0.0261 -0.0041 342 THR 30 H 0.0117 0.0236 -0.0108 343 THR 30 HA 0.0159 0.0200 -0.0068 344 THR 30 HB 0.0163 0.0250 -0.0051 345 THR 30 HG1 0.0126 0.0277 -0.0086 346 THR 30 HG21 0.0176 0.0281 -0.0028 347 THR 30 HG22 0.0182 0.0242 -0.0032 348 THR 30 HG23 0.0160 0.0267 -0.0050 349 SER 31 N 0.0153 0.0175 -0.0079 350 SER 31 CA 0.0167 0.0135 -0.0104 351 SER 31 C 0.0153 0.0093 -0.0092 352 SER 31 O 0.0127 0.0087 -0.0058 353 SER 31 CB 0.0165 0.0124 -0.0103 354 SER 31 OG 0.0177 0.0082 -0.0126 355 SER 31 H 0.0140 0.0182 -0.0061 356 SER 31 HA 0.0187 0.0141 -0.0130 357 SER 31 HB2 0.0176 0.0150 -0.0113 358 SER 31 HB3 0.0145 0.0121 -0.0078 359 SER 31 HG 0.0176 0.0077 -0.0125 360 SER 32 N 0.0161 0.0021 -0.0133 361 SER 32 CA 0.0135 -0.0058 -0.0128 362 SER 32 C 0.0100 -0.0115 -0.0105 363 SER 32 O 0.0065 -0.0174 -0.0083 364 SER 32 CB 0.0181 -0.0096 -0.0193 365 SER 32 OG 0.0222 -0.0097 -0.0243 366 SER 32 H 0.0196 0.0029 -0.0171 367 SER 32 HA 0.0112 -0.0049 -0.0098 368 SER 32 HB2 0.0164 -0.0151 -0.0192 369 SER 32 HB3 0.0197 -0.0065 -0.0203 370 SER 32 HG 0.0248 -0.0115 -0.0278 371 LYS 33 N 0.0135 -0.0110 -0.0129 372 LYS 33 CA 0.0107 -0.0127 -0.0123 373 LYS 33 C 0.0052 -0.0125 -0.0095 374 LYS 33 O 0.0038 -0.0091 -0.0074 375 LYS 33 CB 0.0129 -0.0094 -0.0120 376 LYS 33 CG 0.0180 -0.0105 -0.0149 377 LYS 33 CD 0.0209 -0.0061 -0.0145 378 LYS 33 CE 0.0256 -0.0077 -0.0174 379 LYS 33 NZ 0.0296 -0.0032 -0.0174 380 LYS 33 H 0.0153 -0.0081 -0.0126 381 LYS 33 HA 0.0110 -0.0163 -0.0139 382 LYS 33 HB2 0.0133 -0.0059 -0.0107 383 LYS 33 HB3 0.0107 -0.0101 -0.0111 384 LYS 33 HG2 0.0176 -0.0135 -0.0159 385 LYS 33 HG3 0.0200 -0.0110 -0.0161 386 LYS 33 HD2 0.0220 -0.0033 -0.0138 387 LYS 33 HD3 0.0188 -0.0052 -0.0131 388 LYS 33 HE2 0.0246 -0.0093 -0.0176 389 LYS 33 HE3 0.0269 -0.0100 -0.0190 390 LYS 33 HZ1 0.0322 -0.0042 -0.0192 391 LYS 33 HZ2 0.0305 -0.0016 -0.0172 392 LYS 33 HZ3 0.0285 -0.0010 -0.0160 393 MET 34 N 0.0062 -0.0269 -0.0035 394 MET 34 CA -0.0017 -0.0285 0.0021 395 MET 34 C -0.0026 -0.0285 0.0026 396 MET 34 O -0.0087 -0.0313 0.0071 397 MET 34 CB -0.0043 -0.0377 0.0052 398 MET 34 CG -0.0052 -0.0377 0.0059 399 MET 34 SD -0.0151 -0.0333 0.0117 400 MET 34 CE -0.0144 -0.0208 0.0093 401 MET 34 H 0.0099 -0.0312 -0.0052 402 MET 34 HA -0.0054 -0.0233 0.0036 403 MET 34 HB2 -0.0002 -0.0428 0.0034 404 MET 34 HB3 -0.0093 -0.0390 0.0088 405 MET 34 HG2 -0.0014 -0.0337 0.0027 406 MET 34 HG3 -0.0041 -0.0441 0.0062 407 MET 34 HE1 -0.0185 -0.0178 0.0115 408 MET 34 HE2 -0.0152 -0.0185 0.0094 409 MET 34 HE3 -0.0092 -0.0195 0.0056 410 ASP 35 N 0.0008 -0.0244 -0.0030 411 ASP 35 CA -0.0013 -0.0225 -0.0018 412 ASP 35 C -0.0051 -0.0157 0.0009 413 ASP 35 O -0.0046 -0.0114 0.0012 414 ASP 35 CB 0.0045 -0.0214 -0.0045 415 ASP 35 CG 0.0090 -0.0155 -0.0061 416 ASP 35 OD1 0.0124 -0.0165 -0.0079 417 ASP 35 OD2 0.0089 -0.0095 -0.0053 418 ASP 35 H 0.0049 -0.0235 -0.0049 419 ASP 35 HA -0.0041 -0.0263 -0.0008 420 ASP 35 HB2 0.0030 -0.0203 -0.0037 421 ASP 35 HB3 0.0069 -0.0258 -0.0062 422 ALA 36 N -0.0118 -0.0140 -0.0009 423 ALA 36 CA -0.0173 -0.0076 0.0023 424 ALA 36 C -0.0119 -0.0001 0.0045 425 ALA 36 O -0.0136 0.0027 0.0059 426 ALA 36 CB -0.0238 -0.0050 0.0043 427 ALA 36 H -0.0131 -0.0154 -0.0013 428 ALA 36 HA -0.0207 -0.0100 0.0019 429 ALA 36 HB1 -0.0275 -0.0008 0.0064 430 ALA 36 HB2 -0.0275 -0.0098 0.0029 431 ALA 36 HB3 -0.0205 -0.0028 0.0047 432 TRP 37 N -0.0055 0.0022 0.0029 433 TRP 37 CA -0.0024 0.0063 0.0045 434 TRP 37 C 0.0010 0.0064 0.0034 435 TRP 37 O 0.0018 0.0095 0.0051 436 TRP 37 CB 0.0006 0.0073 0.0041 437 TRP 37 CG 0.0039 0.0116 0.0057 438 TRP 37 CD1 0.0028 0.0154 0.0085 439 TRP 37 CD2 0.0088 0.0126 0.0047 440 TRP 37 NE1 0.0066 0.0187 0.0092 441 TRP 37 CE2 0.0103 0.0170 0.0069 442 TRP 37 CE3 0.0119 0.0101 0.0020 443 TRP 37 CZ2 0.0149 0.0190 0.0066 444 TRP 37 CZ3 0.0165 0.0121 0.0018 445 TRP 37 CH2 0.0179 0.0165 0.0040 446 TRP 37 H -0.0053 0.0009 0.0021 447 TRP 37 HA -0.0044 0.0084 0.0065 448 TRP 37 HB2 -0.0015 0.0073 0.0048 449 TRP 37 HB3 0.0026 0.0051 0.0021 450 TRP 37 HD1 -0.0001 0.0158 0.0097 451 TRP 37 HE1 0.0067 0.0213 0.0108 452 TRP 37 HE3 0.0110 0.0072 0.0005 453 TRP 37 HZ2 0.0158 0.0219 0.0081 454 TRP 37 HZ3 0.0186 0.0105 0.0000 455 TRP 37 HH2 0.0210 0.0178 0.0038 456 ASN 38 N 0.0031 0.0027 0.0011 457 ASN 38 CA 0.0058 0.0039 -0.0001 458 ASN 38 C 0.0024 0.0042 0.0021 459 ASN 38 O 0.0037 0.0075 0.0026 460 ASN 38 CB 0.0089 -0.0004 -0.0037 461 ASN 38 CG 0.0140 0.0012 -0.0062 462 ASN 38 OD1 0.0170 0.0050 -0.0065 463 ASN 38 ND2 0.0151 -0.0018 -0.0080 464 ASN 38 H 0.0031 -0.0004 -0.0001 465 ASN 38 HA 0.0079 0.0073 -0.0001 466 ASN 38 HB2 0.0073 -0.0037 -0.0041 467 ASN 38 HB3 0.0092 -0.0008 -0.0040 468 ASN 38 HD21 0.0180 -0.0011 -0.0095 469 ASN 38 HD22 0.0130 -0.0044 -0.0078 470 ILE 39 N -0.0012 -0.0016 0.0012 471 ILE 39 CA -0.0058 -0.0025 0.0014 472 ILE 39 C -0.0075 0.0042 0.0048 473 ILE 39 O -0.0072 0.0055 0.0054 474 ILE 39 CB -0.0127 -0.0067 0.0002 475 ILE 39 CG1 -0.0109 -0.0136 -0.0033 476 ILE 39 CG2 -0.0175 -0.0070 0.0008 477 ILE 39 CD1 -0.0174 -0.0176 -0.0044 478 ILE 39 H -0.0030 -0.0032 0.0007 479 ILE 39 HA -0.0031 -0.0048 -0.0001 480 ILE 39 HB -0.0152 -0.0048 0.0015 481 ILE 39 HG12 -0.0092 -0.0159 -0.0046 482 ILE 39 HG13 -0.0071 -0.0133 -0.0036 483 ILE 39 HG21 -0.0214 -0.0103 -0.0003 484 ILE 39 HG22 -0.0194 -0.0027 0.0031 485 ILE 39 HG23 -0.0146 -0.0081 -0.0002 486 ILE 39 HD11 -0.0158 -0.0218 -0.0066 487 ILE 39 HD12 -0.0195 -0.0152 -0.0029 488 ILE 39 HD13 -0.0210 -0.0184 -0.0043 489 PHE 40 N -0.0073 0.0050 0.0045 490 PHE 40 CA -0.0087 0.0103 0.0078 491 PHE 40 C -0.0027 0.0128 0.0097 492 PHE 40 O -0.0027 0.0146 0.0109 493 PHE 40 CB -0.0116 0.0137 0.0099 494 PHE 40 CG -0.0128 0.0193 0.0136 495 PHE 40 CD1 -0.0185 0.0208 0.0143 496 PHE 40 CD2 -0.0082 0.0231 0.0162 497 PHE 40 CE1 -0.0196 0.0260 0.0177 498 PHE 40 CE2 -0.0093 0.0283 0.0195 499 PHE 40 CZ -0.0151 0.0297 0.0202 500 PHE 40 H -0.0082 0.0049 0.0043 501 PHE 40 HA -0.0117 0.0100 0.0075 502 PHE 40 HB2 -0.0157 0.0122 0.0088 503 PHE 40 HB3 -0.0087 0.0137 0.0100 504 PHE 40 HD1 -0.0216 0.0182 0.0125 505 PHE 40 HD2 -0.0044 0.0221 0.0157 506 PHE 40 HE1 -0.0234 0.0270 0.0182 507 PHE 40 HE2 -0.0062 0.0308 0.0213 508 PHE 40 HZ -0.0160 0.0333 0.0225 509 GLU 41 N 0.0036 0.0129 0.0092 510 GLU 41 CA 0.0070 0.0146 0.0100 511 GLU 41 C 0.0091 0.0138 0.0088 512 GLU 41 O 0.0112 0.0155 0.0099 513 GLU 41 CB 0.0093 0.0146 0.0095 514 GLU 41 CG 0.0112 0.0173 0.0116 515 GLU 41 CD 0.0087 0.0193 0.0140 516 GLU 41 OE1 0.0054 0.0185 0.0139 517 GLU 41 OE2 0.0099 0.0217 0.0160 518 GLU 41 H 0.0034 0.0120 0.0083 519 GLU 41 HA 0.0067 0.0165 0.0118 520 GLU 41 HB2 0.0076 0.0139 0.0092 521 GLU 41 HB3 0.0111 0.0134 0.0080 522 GLU 41 HG2 0.0127 0.0171 0.0111 523 GLU 41 HG3 0.0127 0.0181 0.0120 524 GLY 42 N 0.0079 0.0126 0.0054 525 GLY 42 CA 0.0103 0.0127 0.0040 526 GLY 42 C 0.0107 0.0134 0.0055 527 GLY 42 O 0.0132 0.0139 0.0054 528 GLY 42 H 0.0063 0.0119 0.0043 529 GLY 42 HA2 0.0122 0.0132 0.0040 530 GLY 42 HA3 0.0099 0.0119 0.0020 531 LEU 43 N 0.0072 0.0112 0.0075 532 LEU 43 CA 0.0064 0.0128 0.0107 533 LEU 43 C 0.0081 0.0165 0.0156 534 LEU 43 O 0.0094 0.0184 0.0179 535 LEU 43 CB 0.0005 0.0110 0.0117 536 LEU 43 CG -0.0017 0.0074 0.0073 537 LEU 43 CD1 -0.0077 0.0056 0.0084 538 LEU 43 CD2 0.0001 0.0074 0.0060 539 LEU 43 H 0.0044 0.0100 0.0074 540 LEU 43 HA 0.0085 0.0127 0.0091 541 LEU 43 HB2 -0.0016 0.0110 0.0130 542 LEU 43 HB3 -0.0001 0.0123 0.0141 543 LEU 43 HG -0.0004 0.0062 0.0045 544 LEU 43 HD11 -0.0091 0.0033 0.0055 545 LEU 43 HD12 -0.0088 0.0056 0.0091 546 LEU 43 HD13 -0.0091 0.0068 0.0112 547 LEU 43 HD21 -0.0013 0.0050 0.0032 548 LEU 43 HD22 -0.0011 0.0086 0.0088 549 LEU 43 HD23 0.0040 0.0084 0.0051 550 VAL 44 N 0.0086 0.0138 0.0111 551 VAL 44 CA 0.0094 0.0133 0.0137 552 VAL 44 C 0.0113 0.0123 0.0154 553 VAL 44 O 0.0131 0.0112 0.0165 554 VAL 44 CB 0.0072 0.0147 0.0156 555 VAL 44 CG1 0.0055 0.0158 0.0159 556 VAL 44 CG2 0.0081 0.0142 0.0185 557 VAL 44 H 0.0076 0.0144 0.0113 558 VAL 44 HA 0.0102 0.0128 0.0132 559 VAL 44 HB 0.0063 0.0152 0.0146 560 VAL 44 HG11 0.0048 0.0162 0.0178 561 VAL 44 HG12 0.0042 0.0165 0.0145 562 VAL 44 HG13 0.0064 0.0152 0.0156 563 VAL 44 HG21 0.0068 0.0150 0.0194 564 VAL 44 HG22 0.0086 0.0140 0.0196 565 VAL 44 HG23 0.0095 0.0134 0.0182 566 VAL 44 N 0.0086 0.0138 0.0111 567 VAL 44 CA 0.0093 0.0134 0.0137 568 VAL 44 C 0.0110 0.0124 0.0155 569 VAL 44 O 0.0125 0.0115 0.0171 570 VAL 44 CB 0.0070 0.0148 0.0154 571 VAL 44 CG1 0.0055 0.0157 0.0138 572 VAL 44 CG2 0.0055 0.0157 0.0164 573 VAL 44 H 0.0076 0.0144 0.0113 574 VAL 44 HA 0.0101 0.0129 0.0131 575 VAL 44 HB 0.0076 0.0145 0.0171 576 VAL 44 HG11 0.0052 0.0159 0.0150 577 VAL 44 HG12 0.0063 0.0152 0.0120 578 VAL 44 HG13 0.0039 0.0166 0.0133 579 VAL 44 HG21 0.0039 0.0167 0.0167 580 VAL 44 HG22 0.0056 0.0157 0.0149 581 VAL 44 HG23 0.0063 0.0153 0.0181 582 MET 45 N 0.0116 0.0099 0.0114 583 MET 45 CA 0.0106 0.0101 0.0108 584 MET 45 C 0.0106 0.0128 0.0090 585 MET 45 O 0.0086 0.0134 0.0077 586 MET 45 CB 0.0078 0.0087 0.0105 587 MET 45 CG 0.0074 0.0060 0.0121 588 MET 45 SD 0.0082 0.0044 0.0135 589 MET 45 CE 0.0056 0.0045 0.0123 590 MET 45 H 0.0106 0.0102 0.0107 591 MET 45 HA 0.0118 0.0096 0.0116 592 MET 45 HB2 0.0067 0.0092 0.0096 593 MET 45 HB3 0.0073 0.0090 0.0100 594 MET 45 HG2 0.0086 0.0057 0.0128 595 MET 45 HG3 0.0056 0.0053 0.0117 596 MET 45 HE1 0.0058 0.0036 0.0129 597 MET 45 HE2 0.0039 0.0038 0.0120 598 MET 45 HE3 0.0057 0.0062 0.0112 599 GLY 46 N 0.0129 0.0121 0.0067 600 GLY 46 CA 0.0135 0.0138 0.0040 601 GLY 46 C 0.0159 0.0146 0.0035 602 GLY 46 O 0.0168 0.0161 0.0013 603 GLY 46 H 0.0142 0.0118 0.0077 604 GLY 46 HA2 0.0117 0.0141 0.0030 605 GLY 46 HA3 0.0141 0.0143 0.0034 606 SER 47 N 0.0093 0.0084 0.0025 607 SER 47 CA 0.0097 0.0089 0.0024 608 SER 47 C 0.0088 0.0075 0.0029 609 SER 47 O 0.0084 0.0059 0.0035 610 SER 47 CB 0.0119 0.0091 0.0027 611 SER 47 OG 0.0128 0.0076 0.0036 612 SER 47 H 0.0090 0.0073 0.0030 613 SER 47 HA 0.0092 0.0100 0.0018 614 SER 47 HB2 0.0122 0.0093 0.0027 615 SER 47 HB3 0.0125 0.0102 0.0023 616 SER 47 HG 0.0138 0.0079 0.0036 617 VAL 48 N 0.0044 0.0066 -0.0044 618 VAL 48 CA 0.0034 0.0057 -0.0046 619 VAL 48 C 0.0033 0.0059 -0.0046 620 VAL 48 O 0.0037 0.0069 -0.0045 621 VAL 48 CB 0.0020 0.0060 -0.0048 622 VAL 48 CG1 0.0019 0.0057 -0.0048 623 VAL 48 CG2 0.0016 0.0075 -0.0047 624 VAL 48 H 0.0044 0.0074 -0.0044 625 VAL 48 HA 0.0036 0.0048 -0.0046 626 VAL 48 HB 0.0013 0.0054 -0.0049 627 VAL 48 HG11 0.0010 0.0059 -0.0049 628 VAL 48 HG12 0.0021 0.0047 -0.0048 629 VAL 48 HG13 0.0026 0.0062 -0.0047 630 VAL 48 HG21 0.0007 0.0077 -0.0048 631 VAL 48 HG22 0.0023 0.0081 -0.0046 632 VAL 48 HG23 0.0015 0.0076 -0.0047 633 TRP 49 N -0.0039 -0.0051 0.0008 634 TRP 49 CA -0.0032 -0.0040 0.0006 635 TRP 49 C -0.0034 -0.0038 -0.0008 636 TRP 49 O -0.0040 -0.0045 -0.0012 637 TRP 49 CB -0.0029 -0.0039 0.0016 638 TRP 49 CG -0.0024 -0.0038 0.0030 639 TRP 49 CD1 -0.0026 -0.0046 0.0042 640 TRP 49 CD2 -0.0016 -0.0027 0.0034 641 TRP 49 NE1 -0.0020 -0.0041 0.0053 642 TRP 49 CE2 -0.0014 -0.0030 0.0048 643 TRP 49 CE3 -0.0010 -0.0016 0.0027 644 TRP 49 CZ2 -0.0006 -0.0021 0.0055 645 TRP 49 CZ3 -0.0003 -0.0008 0.0034 646 TRP 49 CH2 -0.0001 -0.0011 0.0048 647 TRP 49 H -0.0042 -0.0057 0.0011 648 TRP 49 HA -0.0027 -0.0034 0.0007 649 TRP 49 HB2 -0.0033 -0.0046 0.0017 650 TRP 49 HB3 -0.0025 -0.0032 0.0013 651 TRP 49 HD1 -0.0031 -0.0053 0.0042 652 TRP 49 HE1 -0.0020 -0.0045 0.0061 653 TRP 49 HE3 -0.0011 -0.0014 0.0018 654 TRP 49 HZ2 -0.0005 -0.0023 0.0065 655 TRP 49 HZ3 0.0001 -0.0000 0.0030 656 TRP 49 HH2 0.0004 -0.0005 0.0053 657 VAL 50 N -0.0051 0.0004 -0.0098 658 VAL 50 CA -0.0070 0.0010 -0.0101 659 VAL 50 C -0.0067 0.0004 -0.0099 660 VAL 50 O -0.0050 0.0009 -0.0100 661 VAL 50 CB -0.0073 0.0034 -0.0111 662 VAL 50 CG1 -0.0094 0.0040 -0.0114 663 VAL 50 CG2 -0.0074 0.0041 -0.0114 664 VAL 50 H -0.0039 0.0011 -0.0100 665 VAL 50 HA -0.0083 0.0003 -0.0099 666 VAL 50 HB -0.0060 0.0041 -0.0113 667 VAL 50 HG11 -0.0097 0.0054 -0.0120 668 VAL 50 HG12 -0.0091 0.0038 -0.0113 669 VAL 50 HG13 -0.0106 0.0031 -0.0111 670 VAL 50 HG21 -0.0077 0.0056 -0.0119 671 VAL 50 HG22 -0.0086 0.0034 -0.0111 672 VAL 50 HG23 -0.0060 0.0039 -0.0112 673 ILE 51 N -0.0085 -0.0029 -0.0084 674 ILE 51 CA -0.0076 -0.0035 -0.0078 675 ILE 51 C -0.0096 -0.0028 -0.0085 676 ILE 51 O -0.0118 -0.0038 -0.0080 677 ILE 51 CB -0.0073 -0.0059 -0.0059 678 ILE 51 CG1 -0.0058 -0.0068 -0.0051 679 ILE 51 CG2 -0.0058 -0.0064 -0.0054 680 ILE 51 CD1 -0.0075 -0.0081 -0.0042 681 ILE 51 H -0.0101 -0.0033 -0.0082 682 ILE 51 HA -0.0059 -0.0028 -0.0082 683 ILE 51 HB -0.0091 -0.0066 -0.0056 684 ILE 51 HG12 -0.0044 -0.0077 -0.0043 685 ILE 51 HG13 -0.0049 -0.0056 -0.0059 686 ILE 51 HG21 -0.0057 -0.0079 -0.0042 687 ILE 51 HG22 -0.0068 -0.0059 -0.0059 688 ILE 51 HG23 -0.0041 -0.0057 -0.0058 689 ILE 51 HD11 -0.0064 -0.0086 -0.0037 690 ILE 51 HD12 -0.0089 -0.0072 -0.0050 691 ILE 51 HD13 -0.0083 -0.0093 -0.0034 692 ARG 52 N -0.0117 -0.0033 -0.0116 693 ARG 52 CA -0.0123 -0.0030 -0.0121 694 ARG 52 C -0.0117 -0.0037 -0.0111 695 ARG 52 O -0.0103 -0.0041 -0.0106 696 ARG 52 CB -0.0116 -0.0020 -0.0134 697 ARG 52 CG -0.0121 -0.0016 -0.0141 698 ARG 52 CD -0.0110 -0.0007 -0.0153 699 ARG 52 NE -0.0113 -0.0002 -0.0160 700 ARG 52 CZ -0.0106 0.0005 -0.0171 701 ARG 52 NH1 -0.0095 0.0010 -0.0177 702 ARG 52 NH2 -0.0109 0.0009 -0.0176 703 ARG 52 H -0.0108 -0.0030 -0.0120 704 ARG 52 HA -0.0134 -0.0030 -0.0121 705 ARG 52 HB2 -0.0119 -0.0016 -0.0140 706 ARG 52 HB3 -0.0104 -0.0021 -0.0134 707 ARG 52 HG2 -0.0118 -0.0020 -0.0134 708 ARG 52 HG3 -0.0132 -0.0014 -0.0143 709 ARG 52 HD2 -0.0113 -0.0003 -0.0160 710 ARG 52 HD3 -0.0099 -0.0009 -0.0151 711 ARG 52 HE -0.0120 -0.0005 -0.0156 712 ARG 52 HH11 -0.0093 0.0007 -0.0174 713 ARG 52 HH12 -0.0090 0.0015 -0.0184 714 ARG 52 HH21 -0.0116 0.0007 -0.0173 715 ARG 52 HH22 -0.0105 0.0014 -0.0184 716 GLN 53 N -0.0134 -0.0059 -0.0099 717 GLN 53 CA -0.0141 -0.0092 -0.0077 718 GLN 53 C -0.0145 -0.0084 -0.0080 719 GLN 53 O -0.0151 -0.0053 -0.0096 720 GLN 53 CB -0.0177 -0.0103 -0.0056 721 GLN 53 CG -0.0179 -0.0102 -0.0056 722 GLN 53 CD -0.0150 -0.0131 -0.0049 723 GLN 53 OE1 -0.0145 -0.0162 -0.0033 724 GLN 53 NE2 -0.0130 -0.0122 -0.0062 725 GLN 53 H -0.0156 -0.0044 -0.0100 726 GLN 53 HA -0.0119 -0.0112 -0.0073 727 GLN 53 HB2 -0.0200 -0.0087 -0.0057 728 GLN 53 HB3 -0.0178 -0.0127 -0.0041 729 GLN 53 HG2 -0.0174 -0.0079 -0.0072 730 GLN 53 HG3 -0.0205 -0.0104 -0.0044 731 GLN 53 HE21 -0.0134 -0.0100 -0.0074 732 GLN 53 HE22 -0.0113 -0.0138 -0.0059 733 LYS 54 N -0.0195 -0.0150 -0.0016 734 LYS 54 CA -0.0128 -0.0076 -0.0104 735 LYS 54 C -0.0258 -0.0053 -0.0213 736 LYS 54 O -0.0214 0.0021 -0.0313 737 LYS 54 CB -0.0038 -0.0109 -0.0001 738 LYS 54 CG 0.0132 -0.0099 0.0074 739 LYS 54 CD 0.0196 -0.0154 0.0202 740 LYS 54 CE 0.0295 -0.0199 0.0330 741 LYS 54 NZ 0.0435 -0.0127 0.0284 742 LYS 54 H -0.0182 -0.0201 0.0077 743 LYS 54 HA -0.0052 -0.0018 -0.0160 744 LYS 54 HB2 -0.0104 -0.0176 0.0076 745 LYS 54 HB3 -0.0026 -0.0071 -0.0059 746 LYS 54 HG2 0.0207 -0.0032 0.0002 747 LYS 54 HG3 0.0128 -0.0124 0.0114 748 LYS 54 HD2 0.0104 -0.0205 0.0238 749 LYS 54 HD3 0.0267 -0.0111 0.0168 750 LYS 54 HE2 0.0223 -0.0245 0.0368 751 LYS 54 HE3 0.0339 -0.0231 0.0407 752 LYS 54 HZ1 0.0489 -0.0156 0.0362 753 LYS 54 HZ2 0.0504 -0.0084 0.0250 754 LYS 54 HZ3 0.0398 -0.0096 0.0213 755 ASP 55 N -0.0289 -0.0106 -0.0138 756 ASP 55 CA -0.0366 -0.0083 -0.0173 757 ASP 55 C -0.0380 -0.0039 -0.0204 758 ASP 55 O -0.0445 -0.0021 -0.0233 759 ASP 55 CB -0.0430 -0.0145 -0.0153 760 ASP 55 CG -0.0442 -0.0186 -0.0131 761 ASP 55 OD1 -0.0388 -0.0182 -0.0118 762 ASP 55 OD2 -0.0506 -0.0223 -0.0125 763 ASP 55 H -0.0287 -0.0142 -0.0115 764 ASP 55 HA -0.0369 -0.0056 -0.0191 765 ASP 55 HB2 -0.0479 -0.0129 -0.0176 766 ASP 55 HB3 -0.0417 -0.0176 -0.0130 767 ASP 56 N -0.0219 -0.0037 -0.0157 768 ASP 56 CA -0.0213 -0.0018 -0.0161 769 ASP 56 C -0.0218 -0.0026 -0.0160 770 ASP 56 O -0.0216 -0.0010 -0.0164 771 ASP 56 CB -0.0226 0.0008 -0.0168 772 ASP 56 CG -0.0214 0.0021 -0.0171 773 ASP 56 OD1 -0.0192 0.0014 -0.0168 774 ASP 56 OD2 -0.0226 0.0040 -0.0176 775 ASP 56 H -0.0204 -0.0044 -0.0155 776 ASP 56 HA -0.0194 -0.0015 -0.0161 777 ASP 56 HB2 -0.0244 0.0005 -0.0168 778 ASP 56 HB3 -0.0224 0.0019 -0.0171 779 SER 57 N -0.0223 -0.0028 -0.0125 780 SER 57 CA -0.0209 -0.0039 -0.0127 781 SER 57 C -0.0171 -0.0043 -0.0129 782 SER 57 O -0.0158 -0.0045 -0.0129 783 SER 57 CB -0.0224 -0.0072 -0.0131 784 SER 57 OG -0.0216 -0.0098 -0.0134 785 SER 57 H -0.0236 -0.0042 -0.0127 786 SER 57 HA -0.0214 -0.0022 -0.0125 787 SER 57 HB2 -0.0215 -0.0078 -0.0132 788 SER 57 HB3 -0.0248 -0.0070 -0.0130 789 SER 57 HG -0.0223 -0.0116 -0.0137 790 LEU 58 N -0.0137 0.0006 -0.0118 791 LEU 58 CA -0.0120 0.0005 -0.0131 792 LEU 58 C -0.0113 -0.0000 -0.0139 793 LEU 58 O -0.0118 0.0004 -0.0134 794 LEU 58 CB -0.0110 0.0024 -0.0131 795 LEU 58 CG -0.0117 0.0032 -0.0124 796 LEU 58 CD1 -0.0121 0.0051 -0.0113 797 LEU 58 CD2 -0.0105 0.0034 -0.0132 798 LEU 58 H -0.0139 0.0012 -0.0114 799 LEU 58 HA -0.0120 -0.0005 -0.0136 800 LEU 58 HB2 -0.0111 0.0034 -0.0128 801 LEU 58 HB3 -0.0099 0.0023 -0.0140 802 LEU 58 HG -0.0126 0.0022 -0.0120 803 LEU 58 HD11 -0.0124 0.0056 -0.0109 804 LEU 58 HD12 -0.0129 0.0049 -0.0107 805 LEU 58 HD13 -0.0111 0.0059 -0.0117 806 LEU 58 HD21 -0.0109 0.0038 -0.0127 807 LEU 58 HD22 -0.0095 0.0043 -0.0136 808 LEU 58 HD23 -0.0102 0.0021 -0.0139 809 LYS 59 N -0.0122 -0.0003 -0.0097 810 LYS 59 CA -0.0114 -0.0022 -0.0092 811 LYS 59 C -0.0084 -0.0004 -0.0103 812 LYS 59 O -0.0058 0.0006 -0.0110 813 LYS 59 CB -0.0103 -0.0060 -0.0080 814 LYS 59 CG -0.0135 -0.0082 -0.0067 815 LYS 59 CD -0.0122 -0.0115 -0.0057 816 LYS 59 CE -0.0155 -0.0134 -0.0046 817 LYS 59 NZ -0.0167 -0.0162 -0.0034 818 LYS 59 H -0.0104 -0.0004 -0.0099 819 LYS 59 HA -0.0136 -0.0021 -0.0088 820 LYS 59 HB2 -0.0085 -0.0062 -0.0082 821 LYS 59 HB3 -0.0093 -0.0070 -0.0078 822 LYS 59 HG2 -0.0149 -0.0088 -0.0063 823 LYS 59 HG3 -0.0150 -0.0068 -0.0070 824 LYS 59 HD2 -0.0106 -0.0110 -0.0062 825 LYS 59 HD3 -0.0110 -0.0131 -0.0054 826 LYS 59 HE2 -0.0175 -0.0117 -0.0048 827 LYS 59 HE3 -0.0148 -0.0144 -0.0043 828 LYS 59 HZ1 -0.0148 -0.0178 -0.0031 829 LYS 59 HZ2 -0.0173 -0.0153 -0.0036 830 LYS 59 HZ3 -0.0186 -0.0172 -0.0027 831 VAL 60 N -0.0037 0.0035 -0.0096 832 VAL 60 CA -0.0020 0.0043 -0.0095 833 VAL 60 C -0.0011 0.0026 -0.0092 834 VAL 60 O -0.0023 0.0017 -0.0091 835 VAL 60 CB -0.0026 0.0061 -0.0099 836 VAL 60 CG1 -0.0009 0.0068 -0.0099 837 VAL 60 CG2 -0.0034 0.0078 -0.0103 838 VAL 60 H -0.0045 0.0028 -0.0095 839 VAL 60 HA -0.0009 0.0048 -0.0095 840 VAL 60 HB -0.0038 0.0057 -0.0100 841 VAL 60 HG11 -0.0012 0.0082 -0.0101 842 VAL 60 HG12 -0.0008 0.0059 -0.0097 843 VAL 60 HG13 0.0004 0.0069 -0.0097 844 VAL 60 HG21 -0.0036 0.0090 -0.0106 845 VAL 60 HG22 -0.0024 0.0082 -0.0103 846 VAL 60 HG23 -0.0047 0.0074 -0.0104 847 PHE 61 N -0.0012 0.0004 0.0007 848 PHE 61 CA 0.0003 -0.0006 -0.0003 849 PHE 61 C 0.0025 0.0007 -0.0008 850 PHE 61 O 0.0031 0.0016 -0.0008 851 PHE 61 CB 0.0005 -0.0030 -0.0012 852 PHE 61 CG -0.0016 -0.0045 -0.0008 853 PHE 61 CD1 -0.0023 -0.0054 -0.0008 854 PHE 61 CD2 -0.0028 -0.0051 -0.0005 855 PHE 61 CE1 -0.0042 -0.0067 -0.0004 856 PHE 61 CE2 -0.0047 -0.0065 -0.0001 857 PHE 61 CZ -0.0054 -0.0073 -0.0001 858 PHE 61 H -0.0009 0.0006 0.0007 859 PHE 61 HA -0.0001 -0.0006 -0.0001 860 PHE 61 HB2 0.0010 -0.0029 -0.0014 861 PHE 61 HB3 0.0015 -0.0036 -0.0019 862 PHE 61 HD1 -0.0015 -0.0050 -0.0010 863 PHE 61 HD2 -0.0023 -0.0045 -0.0005 864 PHE 61 HE1 -0.0047 -0.0073 -0.0004 865 PHE 61 HE2 -0.0054 -0.0069 0.0001 866 PHE 61 HZ -0.0067 -0.0082 0.0002 867 SER 62 N 0.0040 0.0003 0.0053 868 SER 62 CA 0.0051 -0.0000 0.0069 869 SER 62 C 0.0056 0.0008 0.0079 870 SER 62 O 0.0053 0.0007 0.0075 871 SER 62 CB 0.0056 -0.0019 0.0070 872 SER 62 OG 0.0066 -0.0022 0.0085 873 SER 62 H 0.0038 -0.0007 0.0047 874 SER 62 HA 0.0052 0.0005 0.0071 875 SER 62 HB2 0.0053 -0.0024 0.0064 876 SER 62 HB3 0.0055 -0.0025 0.0068 877 SER 62 HG 0.0067 -0.0014 0.0089 878 THR 63 N 0.0027 -0.0040 0.0107 879 THR 63 CA 0.0046 -0.0038 0.0121 880 THR 63 C 0.0045 -0.0054 0.0139 881 THR 63 O 0.0061 -0.0054 0.0153 882 THR 63 CB 0.0058 -0.0025 0.0113 883 THR 63 OG1 0.0047 -0.0029 0.0109 884 THR 63 CG2 0.0062 -0.0008 0.0095 885 THR 63 H 0.0023 -0.0036 0.0098 886 THR 63 HA 0.0054 -0.0036 0.0123 887 THR 63 HB 0.0071 -0.0024 0.0122 888 THR 63 HG1 0.0052 -0.0021 0.0104 889 THR 63 HG21 0.0069 -0.0000 0.0091 890 THR 63 HG22 0.0070 -0.0005 0.0098 891 THR 63 HG23 0.0049 -0.0009 0.0086 892 ASN 64 N 0.0088 -0.0049 0.0194 893 ASN 64 CA 0.0101 -0.0064 0.0194 894 ASN 64 C 0.0095 -0.0079 0.0185 895 ASN 64 O 0.0083 -0.0084 0.0178 896 ASN 64 CB 0.0105 -0.0067 0.0195 897 ASN 64 CG 0.0119 -0.0080 0.0196 898 ASN 64 OD1 0.0132 -0.0080 0.0203 899 ASN 64 ND2 0.0117 -0.0092 0.0190 900 ASN 64 H 0.0082 -0.0048 0.0191 901 ASN 64 HA 0.0110 -0.0062 0.0199 902 ASN 64 HB2 0.0107 -0.0057 0.0200 903 ASN 64 HB3 0.0095 -0.0070 0.0189 904 ASN 64 HD21 0.0125 -0.0100 0.0191 905 ASN 64 HD22 0.0107 -0.0092 0.0186 906 ASN 64 N 0.0088 -0.0049 0.0194 907 ASN 64 CA 0.0101 -0.0063 0.0194 908 ASN 64 C 0.0095 -0.0078 0.0185 909 ASN 64 O 0.0082 -0.0082 0.0178 910 ASN 64 CB 0.0107 -0.0068 0.0195 911 ASN 64 CG 0.0116 -0.0056 0.0205 912 ASN 64 OD1 0.0124 -0.0048 0.0212 913 ASN 64 ND2 0.0116 -0.0055 0.0205 914 ASN 64 H 0.0083 -0.0047 0.0192 915 ASN 64 HA 0.0110 -0.0061 0.0199 916 ASN 64 HB2 0.0097 -0.0068 0.0191 917 ASN 64 HB3 0.0113 -0.0079 0.0194 918 ASN 64 HD21 0.0122 -0.0048 0.0210 919 ASN 64 HD22 0.0111 -0.0061 0.0200 920 CYS 65 N 0.0081 -0.0075 0.0215 921 CYS 65 CA 0.0077 -0.0061 0.0183 922 CYS 65 C 0.0110 -0.0055 0.0166 923 CYS 65 O 0.0127 -0.0057 0.0169 924 CYS 65 CB 0.0052 -0.0054 0.0168 925 CYS 65 SG 0.0045 -0.0037 0.0129 926 CYS 65 HA 0.0070 -0.0060 0.0182 927 CYS 65 HB2 0.0031 -0.0058 0.0179 928 CYS 65 HB3 0.0060 -0.0055 0.0169 929 CYS 65 H 0.0070 -0.0077 0.0221 930 CYS 65 H 0.0072 -0.0076 0.0220 931 PRO 66 N 0.0116 -0.0036 0.0147 932 PRO 66 CA 0.0147 -0.0027 0.0131 933 PRO 66 C 0.0150 -0.0017 0.0100 934 PRO 66 O 0.0178 -0.0010 0.0088 935 PRO 66 CB 0.0148 -0.0025 0.0125 936 PRO 66 CG 0.0112 -0.0029 0.0123 937 PRO 66 CD 0.0097 -0.0038 0.0147 938 PRO 66 HA 0.0165 -0.0029 0.0145 939 PRO 66 HB2 0.0159 -0.0018 0.0105 940 PRO 66 HB3 0.0160 -0.0028 0.0142 941 PRO 66 HG2 0.0103 -0.0024 0.0102 942 PRO 66 HG3 0.0110 -0.0031 0.0128 943 PRO 66 HD2 0.0074 -0.0040 0.0141 944 PRO 66 HD3 0.0098 -0.0044 0.0168 945 HIS 67 N 0.0170 0.0017 0.0088 946 HIS 67 CA 0.0168 0.0048 0.0020 947 HIS 67 C 0.0199 0.0049 0.0037 948 HIS 67 O 0.0265 0.0073 0.0023 949 HIS 67 CB 0.0086 0.0044 -0.0020 950 HIS 67 CG 0.0079 0.0074 -0.0088 951 HIS 67 ND1 0.0020 0.0066 -0.0104 952 HIS 67 CD2 0.0122 0.0113 -0.0145 953 HIS 67 CE1 0.0027 0.0097 -0.0168 954 HIS 67 NE2 0.0089 0.0126 -0.0193 955 HIS 67 H 0.0125 -0.0003 0.0102 956 HIS 67 HA 0.0202 0.0072 -0.0012 957 HIS 67 HB2 0.0071 0.0046 -0.0033 958 HIS 67 HB3 0.0051 0.0019 0.0012 959 HIS 67 HD2 0.0166 0.0127 -0.0150 960 HIS 67 HE1 -0.0006 0.0099 -0.0191 961 HIS 67 HE2 0.0107 0.0150 -0.0233 962 LEU 68 N 0.0196 0.0018 0.0070 963 LEU 68 CA 0.0226 0.0010 0.0096 964 LEU 68 C 0.0198 -0.0050 0.0207 965 LEU 68 O 0.0184 -0.0065 0.0230 966 LEU 68 CB 0.0172 0.0042 0.0013 967 LEU 68 CG 0.0224 0.0104 -0.0092 968 LEU 68 CD1 0.0162 0.0131 -0.0168 969 LEU 68 CD2 0.0352 0.0123 -0.0083 970 LEU 68 H 0.0130 -0.0004 0.0090 971 LEU 68 HA 0.0308 0.0026 0.0095 972 LEU 68 HB2 0.0091 0.0034 0.0001 973 LEU 68 HB3 0.0182 0.0031 0.0040 974 LEU 68 HG 0.0215 0.0116 -0.0118 975 LEU 68 HD11 0.0196 0.0171 -0.0234 976 LEU 68 HD12 0.0081 0.0121 -0.0177 977 LEU 68 HD13 0.0169 0.0118 -0.0140 978 LEU 68 HD21 0.0376 0.0162 -0.0153 979 LEU 68 HD22 0.0365 0.0104 -0.0040 980 LEU 68 HD23 0.0394 0.0114 -0.0051 981 GLY 69 N 0.0164 -0.0087 0.0203 982 GLY 69 CA 0.0164 -0.0098 0.0240 983 GLY 69 C 0.0131 -0.0094 0.0265 984 GLY 69 O 0.0132 -0.0104 0.0297 985 GLY 69 H 0.0158 -0.0080 0.0189 986 GLY 69 HA2 0.0169 -0.0099 0.0239 987 GLY 69 HA3 0.0184 -0.0108 0.0250 988 CYS 70 N 0.0051 -0.0086 0.0242 989 CYS 70 CA -0.0010 -0.0090 0.0279 990 CYS 70 C -0.0016 -0.0100 0.0299 991 CYS 70 O 0.0018 -0.0096 0.0275 992 CYS 70 CB -0.0066 -0.0054 0.0249 993 CYS 70 SG -0.0073 -0.0046 0.0239 994 CYS 70 H 0.0049 -0.0064 0.0207 995 CYS 70 HA -0.0011 -0.0109 0.0312 996 CYS 70 HB2 -0.0060 -0.0034 0.0212 997 CYS 70 HB3 -0.0105 -0.0056 0.0272 998 GLY 71 N -0.0047 -0.0106 0.0271 999 GLY 71 CA -0.0057 -0.0102 0.0276 1000 GLY 71 C -0.0074 -0.0087 0.0258 1001 GLY 71 O -0.0088 -0.0078 0.0254 1002 GLY 71 H -0.0052 -0.0107 0.0282 1003 GLY 71 HA2 -0.0045 -0.0108 0.0273 1004 GLY 71 HA3 -0.0064 -0.0102 0.0292 1005 ILE 72 N -0.0028 -0.0107 0.0196 1006 ILE 72 CA -0.0037 -0.0102 0.0188 1007 ILE 72 C -0.0053 -0.0111 0.0200 1008 ILE 72 O -0.0048 -0.0121 0.0215 1009 ILE 72 CB -0.0020 -0.0099 0.0184 1010 ILE 72 CG1 -0.0005 -0.0089 0.0170 1011 ILE 72 CG2 -0.0030 -0.0096 0.0179 1012 ILE 72 CD1 0.0013 -0.0086 0.0167 1013 ILE 72 H -0.0017 -0.0111 0.0202 1014 ILE 72 HA -0.0045 -0.0095 0.0177 1015 ILE 72 HB -0.0012 -0.0106 0.0194 1016 ILE 72 HG12 -0.0013 -0.0082 0.0159 1017 ILE 72 HG13 -0.0000 -0.0091 0.0174 1018 ILE 72 HG21 -0.0019 -0.0093 0.0175 1019 ILE 72 HG22 -0.0036 -0.0102 0.0188 1020 ILE 72 HG23 -0.0039 -0.0090 0.0169 1021 ILE 72 HD11 0.0020 -0.0079 0.0157 1022 ILE 72 HD12 0.0023 -0.0093 0.0177 1023 ILE 72 HD13 0.0009 -0.0085 0.0166 1024 ASP 73 N -0.0088 -0.0119 0.0182 1025 ASP 73 CA -0.0085 -0.0125 0.0180 1026 ASP 73 C -0.0062 -0.0115 0.0176 1027 ASP 73 O -0.0053 -0.0097 0.0177 1028 ASP 73 CB -0.0104 -0.0116 0.0187 1029 ASP 73 CG -0.0127 -0.0127 0.0192 1030 ASP 73 OD1 -0.0130 -0.0148 0.0188 1031 ASP 73 OD2 -0.0144 -0.0114 0.0199 1032 ASP 73 H -0.0093 -0.0105 0.0187 1033 ASP 73 HA -0.0085 -0.0142 0.0177 1034 ASP 73 HB2 -0.0104 -0.0100 0.0191 1035 ASP 73 HB3 -0.0101 -0.0120 0.0186 1036 TRP 74 N -0.0046 -0.0122 0.0152 1037 TRP 74 CA -0.0035 -0.0106 0.0143 1038 TRP 74 C -0.0015 -0.0088 0.0157 1039 TRP 74 O -0.0007 -0.0079 0.0157 1040 TRP 74 CB -0.0036 -0.0099 0.0113 1041 TRP 74 CG -0.0023 -0.0082 0.0103 1042 TRP 74 CD1 -0.0007 -0.0062 0.0094 1043 TRP 74 CD2 -0.0025 -0.0084 0.0100 1044 TRP 74 NE1 0.0001 -0.0051 0.0086 1045 TRP 74 CE2 -0.0009 -0.0064 0.0090 1046 TRP 74 CE3 -0.0038 -0.0100 0.0105 1047 TRP 74 CZ2 -0.0007 -0.0060 0.0084 1048 TRP 74 CZ3 -0.0036 -0.0096 0.0100 1049 TRP 74 CH2 -0.0020 -0.0076 0.0090 1050 TRP 74 H -0.0045 -0.0119 0.0145 1051 TRP 74 HA -0.0040 -0.0113 0.0147 1052 TRP 74 HB2 -0.0048 -0.0111 0.0104 1053 TRP 74 HB3 -0.0032 -0.0095 0.0109 1054 TRP 74 HD1 -0.0002 -0.0056 0.0094 1055 TRP 74 HE1 0.0011 -0.0038 0.0080 1056 TRP 74 HE3 -0.0048 -0.0113 0.0112 1057 TRP 74 HZ2 0.0002 -0.0047 0.0077 1058 TRP 74 HZ3 -0.0044 -0.0107 0.0103 1059 TRP 74 HH2 -0.0019 -0.0074 0.0086 1060 ALA 75 N -0.0049 -0.0098 0.0207 1061 ALA 75 CA -0.0034 -0.0061 0.0231 1062 ALA 75 C -0.0014 -0.0030 0.0200 1063 ALA 75 O -0.0009 -0.0024 0.0185 1064 ALA 75 CB -0.0037 -0.0058 0.0265 1065 ALA 75 H -0.0050 -0.0104 0.0201 1066 ALA 75 HA -0.0034 -0.0059 0.0243 1067 ALA 75 HB1 -0.0027 -0.0033 0.0280 1068 ALA 75 HB2 -0.0050 -0.0078 0.0284 1069 ALA 75 HB3 -0.0036 -0.0060 0.0252 1070 ASN 76 N -0.0004 0.0019 0.0220 1071 ASN 76 CA 0.0029 0.0057 0.0174 1072 ASN 76 C 0.0054 0.0115 0.0197 1073 ASN 76 O 0.0081 0.0145 0.0159 1074 ASN 76 CB 0.0039 0.0062 0.0150 1075 ASN 76 CG 0.0041 0.0031 0.0086 1076 ASN 76 OD1 0.0057 0.0038 0.0044 1077 ASN 76 ND2 0.0024 -0.0005 0.0078 1078 ASN 76 H -0.0013 0.0012 0.0236 1079 ASN 76 HA 0.0031 0.0041 0.0139 1080 ASN 76 HB2 0.0023 0.0046 0.0177 1081 ASN 76 HB3 0.0060 0.0101 0.0149 1082 ASN 76 HD21 0.0013 -0.0009 0.0109 1083 ASN 76 HD22 0.0024 -0.0023 0.0043 1084 ASP 77 N 0.0042 0.0231 0.0307 1085 ASP 77 CA 0.0073 0.0319 0.0339 1086 ASP 77 C 0.0061 0.0289 0.0302 1087 ASP 77 O 0.0081 0.0356 0.0241 1088 ASP 77 CB 0.0088 0.0349 0.0470 1089 ASP 77 CG 0.0060 0.0252 0.0557 1090 ASP 77 OD1 0.0026 0.0154 0.0525 1091 ASP 77 OD2 0.0072 0.0276 0.0664 1092 ASP 77 H 0.0031 0.0190 0.0365 1093 ASP 77 HA 0.0094 0.0388 0.0297 1094 ASP 77 HB2 0.0107 0.0404 0.0488 1095 ASP 77 HB3 0.0099 0.0381 0.0482 1096 VAL 78 N 0.0047 0.0063 0.0240 1097 VAL 78 CA 0.0028 0.0033 0.0230 1098 VAL 78 C -0.0003 0.0015 0.0176 1099 VAL 78 O -0.0020 -0.0008 0.0161 1100 VAL 78 CB 0.0025 -0.0012 0.0277 1101 VAL 78 CG1 0.0055 0.0008 0.0328 1102 VAL 78 CG2 0.0010 -0.0048 0.0284 1103 VAL 78 H 0.0044 0.0045 0.0256 1104 VAL 78 HA 0.0038 0.0055 0.0229 1105 VAL 78 HB 0.0012 -0.0031 0.0268 1106 VAL 78 HG11 0.0052 -0.0021 0.0356 1107 VAL 78 HG12 0.0064 0.0030 0.0323 1108 VAL 78 HG13 0.0068 0.0028 0.0337 1109 VAL 78 HG21 0.0006 -0.0078 0.0310 1110 VAL 78 HG22 0.0024 -0.0030 0.0296 1111 VAL 78 HG23 -0.0009 -0.0058 0.0250 1112 SER 79 N 0.0018 0.0010 0.0183 1113 SER 79 CA -0.0006 -0.0008 0.0136 1114 SER 79 C -0.0029 -0.0058 0.0140 1115 SER 79 O -0.0044 -0.0071 0.0113 1116 SER 79 CB -0.0004 0.0022 0.0094 1117 SER 79 OG 0.0014 0.0065 0.0084 1118 SER 79 H 0.0027 0.0023 0.0192 1119 SER 79 HA -0.0008 -0.0007 0.0128 1120 SER 79 HB2 0.0002 0.0028 0.0104 1121 SER 79 HB3 -0.0021 0.0007 0.0065 1122 SER 79 HG 0.0014 0.0082 0.0060 1123 ARG 80 N -0.0053 -0.0115 0.0165 1124 ARG 80 CA -0.0059 -0.0128 0.0168 1125 ARG 80 C -0.0056 -0.0126 0.0168 1126 ARG 80 O -0.0046 -0.0117 0.0170 1127 ARG 80 CB -0.0054 -0.0141 0.0177 1128 ARG 80 CG -0.0055 -0.0145 0.0178 1129 ARG 80 CD -0.0069 -0.0150 0.0171 1130 ARG 80 NE -0.0069 -0.0156 0.0174 1131 ARG 80 CZ -0.0080 -0.0159 0.0169 1132 ARG 80 NH1 -0.0091 -0.0155 0.0160 1133 ARG 80 NH2 -0.0079 -0.0165 0.0173 1134 ARG 80 H -0.0045 -0.0111 0.0168 1135 ARG 80 HA -0.0069 -0.0131 0.0162 1136 ARG 80 HB2 -0.0044 -0.0139 0.0182 1137 ARG 80 HB3 -0.0059 -0.0150 0.0178 1138 ARG 80 HG2 -0.0050 -0.0136 0.0177 1139 ARG 80 HG3 -0.0050 -0.0152 0.0185 1140 ARG 80 HD2 -0.0074 -0.0157 0.0171 1141 ARG 80 HD3 -0.0073 -0.0142 0.0165 1142 ARG 80 HE -0.0062 -0.0159 0.0180 1143 ARG 80 HH11 -0.0092 -0.0151 0.0158 1144 ARG 80 HH12 -0.0098 -0.0157 0.0157 1145 ARG 80 HH21 -0.0071 -0.0168 0.0178 1146 ARG 80 HH22 -0.0085 -0.0167 0.0169 1147 PHE 81 N -0.0034 -0.0106 0.0150 1148 PHE 81 CA -0.0042 -0.0116 0.0155 1149 PHE 81 C -0.0043 -0.0121 0.0175 1150 PHE 81 O -0.0044 -0.0124 0.0184 1151 PHE 81 CB -0.0056 -0.0128 0.0144 1152 PHE 81 CG -0.0056 -0.0125 0.0123 1153 PHE 81 CD1 -0.0055 -0.0122 0.0117 1154 PHE 81 CD2 -0.0059 -0.0125 0.0110 1155 PHE 81 CE1 -0.0056 -0.0120 0.0098 1156 PHE 81 CE2 -0.0060 -0.0122 0.0092 1157 PHE 81 CZ -0.0058 -0.0120 0.0085 1158 PHE 81 H -0.0037 -0.0109 0.0146 1159 PHE 81 HA -0.0039 -0.0112 0.0151 1160 PHE 81 HB2 -0.0058 -0.0132 0.0145 1161 PHE 81 HB3 -0.0061 -0.0136 0.0148 1162 PHE 81 HD1 -0.0053 -0.0122 0.0125 1163 PHE 81 HD2 -0.0060 -0.0127 0.0115 1164 PHE 81 HE1 -0.0055 -0.0118 0.0094 1165 PHE 81 HE2 -0.0061 -0.0122 0.0083 1166 PHE 81 HZ -0.0059 -0.0118 0.0073 1167 LEU 82 N -0.0126 -0.0128 0.0193 1168 LEU 82 CA -0.0132 -0.0127 0.0207 1169 LEU 82 C -0.0138 -0.0142 0.0214 1170 LEU 82 O -0.0140 -0.0148 0.0214 1171 LEU 82 CB -0.0133 -0.0115 0.0218 1172 LEU 82 CG -0.0127 -0.0099 0.0213 1173 LEU 82 CD1 -0.0129 -0.0088 0.0225 1174 LEU 82 CD2 -0.0124 -0.0093 0.0209 1175 LEU 82 H -0.0127 -0.0131 0.0193 1176 LEU 82 HA -0.0131 -0.0124 0.0206 1177 LEU 82 HB2 -0.0134 -0.0118 0.0219 1178 LEU 82 HB3 -0.0137 -0.0114 0.0227 1179 LEU 82 HG -0.0124 -0.0099 0.0204 1180 LEU 82 HD11 -0.0125 -0.0078 0.0221 1181 LEU 82 HD12 -0.0131 -0.0092 0.0226 1182 LEU 82 HD13 -0.0133 -0.0088 0.0233 1183 LEU 82 HD21 -0.0121 -0.0083 0.0207 1184 LEU 82 HD22 -0.0128 -0.0093 0.0218 1185 LEU 82 HD23 -0.0122 -0.0099 0.0201 1186 CYS 83 N -0.0184 -0.0100 0.0166 1187 CYS 83 CA -0.0181 -0.0097 0.0164 1188 CYS 83 C -0.0231 -0.0078 0.0129 1189 CYS 83 O -0.0234 -0.0038 0.0092 1190 CYS 83 CB -0.0126 -0.0065 0.0156 1191 CYS 83 SG -0.0125 -0.0063 0.0154 1192 CYS 83 H -0.0179 -0.0074 0.0144 1193 CYS 83 HA -0.0182 -0.0127 0.0191 1194 CYS 83 HB2 -0.0093 -0.0077 0.0178 1195 CYS 83 HB3 -0.0123 -0.0035 0.0130 1196 PRO 84 N -0.0337 -0.0043 0.0151 1197 PRO 84 CA -0.0410 -0.0015 0.0126 1198 PRO 84 C -0.0387 0.0008 0.0097 1199 PRO 84 O -0.0441 0.0036 0.0070 1200 PRO 84 CB -0.0471 -0.0061 0.0188 1201 PRO 84 CG -0.0413 -0.0114 0.0242 1202 PRO 84 CD -0.0339 -0.0105 0.0223 1203 PRO 84 HA -0.0436 0.0016 0.0094 1204 PRO 84 HB2 -0.0503 -0.0056 0.0186 1205 PRO 84 HB3 -0.0510 -0.0059 0.0191 1206 PRO 84 HG2 -0.0393 -0.0121 0.0249 1207 PRO 84 HG3 -0.0444 -0.0144 0.0282 1208 PRO 84 HD2 -0.0286 -0.0124 0.0238 1209 PRO 84 HD3 -0.0350 -0.0118 0.0239 1210 CYS 85 N -0.0336 -0.0027 0.0080 1211 CYS 85 CA -0.0294 0.0001 0.0037 1212 CYS 85 C -0.0293 0.0049 -0.0056 1213 CYS 85 O -0.0320 0.0070 -0.0106 1214 CYS 85 CB -0.0198 -0.0005 0.0076 1215 CYS 85 SG -0.0205 -0.0055 0.0171 1216 CYS 85 H -0.0298 -0.0038 0.0111 1217 CYS 85 HA -0.0331 -0.0007 0.0043 1218 CYS 85 HB2 -0.0167 -0.0007 0.0089 1219 CYS 85 HB3 -0.0163 0.0019 0.0038 1220 HIS 86 N -0.0260 0.0021 -0.0097 1221 HIS 86 CA -0.0257 0.0079 -0.0179 1222 HIS 86 C -0.0282 0.0080 -0.0190 1223 HIS 86 O -0.0251 0.0124 -0.0241 1224 HIS 86 CB -0.0163 0.0121 -0.0205 1225 HIS 86 CG -0.0128 0.0114 -0.0183 1226 HIS 86 ND1 -0.0068 0.0081 -0.0114 1227 HIS 86 CD2 -0.0146 0.0134 -0.0218 1228 HIS 86 CE1 -0.0050 0.0082 -0.0109 1229 HIS 86 NE2 -0.0098 0.0113 -0.0171 1230 HIS 86 H -0.0235 0.0003 -0.0062 1231 HIS 86 HA -0.0303 0.0091 -0.0213 1232 HIS 86 HB2 -0.0117 0.0115 -0.0181 1233 HIS 86 HB3 -0.0169 0.0159 -0.0263 1234 HIS 86 HD2 -0.0185 0.0157 -0.0266 1235 HIS 86 HE1 -0.0011 0.0064 -0.0069 1236 HIS 86 HE2 -0.0098 0.0119 -0.0180 1237 GLU 87 N -0.0280 0.0036 -0.0090 1238 GLU 87 CA -0.0379 -0.0028 -0.0080 1239 GLU 87 C -0.0196 0.0004 0.0034 1240 GLU 87 O -0.0207 0.0038 -0.0028 1241 GLU 87 CB -0.0514 0.0044 -0.0309 1242 GLU 87 CG -0.0707 0.0010 -0.0429 1243 GLU 87 CD -0.0857 0.0065 -0.0646 1244 GLU 87 OE1 -0.0927 0.0025 -0.0648 1245 GLU 87 OE2 -0.0905 0.0147 -0.0814 1246 GLU 87 H -0.0326 -0.0041 -0.0013 1247 GLU 87 HA -0.0485 -0.0149 0.0010 1248 GLU 87 HB2 -0.0409 0.0165 -0.0401 1249 GLU 87 HB3 -0.0582 -0.0006 -0.0294 1250 GLU 87 HG2 -0.0804 -0.0109 -0.0333 1251 GLU 87 HG3 -0.0640 0.0071 -0.0463 1252 GLY 88 N -0.0189 -0.0020 0.0011 1253 GLY 88 CA -0.0132 -0.0021 0.0043 1254 GLY 88 C -0.0148 -0.0064 0.0072 1255 GLY 88 O -0.0187 -0.0108 0.0090 1256 GLY 88 H -0.0192 -0.0031 0.0019 1257 GLY 88 HA2 -0.0113 0.0014 0.0023 1258 GLY 88 HA3 -0.0103 -0.0028 0.0064 1259 VAL 89 N -0.0108 -0.0098 0.0110 1260 VAL 89 CA -0.0107 -0.0122 0.0127 1261 VAL 89 C -0.0076 -0.0118 0.0148 1262 VAL 89 O -0.0059 -0.0094 0.0144 1263 VAL 89 CB -0.0123 -0.0123 0.0115 1264 VAL 89 CG1 -0.0123 -0.0149 0.0134 1265 VAL 89 CG2 -0.0154 -0.0124 0.0093 1266 VAL 89 H -0.0096 -0.0081 0.0108 1267 VAL 89 HA -0.0116 -0.0141 0.0133 1268 VAL 89 HB -0.0113 -0.0104 0.0111 1269 VAL 89 HG11 -0.0135 -0.0151 0.0125 1270 VAL 89 HG12 -0.0103 -0.0146 0.0146 1271 VAL 89 HG13 -0.0130 -0.0167 0.0141 1272 VAL 89 HG21 -0.0163 -0.0124 0.0086 1273 VAL 89 HG22 -0.0164 -0.0142 0.0097 1274 VAL 89 HG23 -0.0153 -0.0106 0.0081 1275 PHE 90 N -0.0065 -0.0120 0.0123 1276 PHE 90 CA -0.0048 -0.0119 0.0142 1277 PHE 90 C -0.0061 -0.0137 0.0157 1278 PHE 90 O -0.0079 -0.0151 0.0162 1279 PHE 90 CB -0.0030 -0.0116 0.0159 1280 PHE 90 CG -0.0019 -0.0102 0.0146 1281 PHE 90 CD1 -0.0030 -0.0105 0.0139 1282 PHE 90 CD2 0.0002 -0.0085 0.0140 1283 PHE 90 CE1 -0.0020 -0.0092 0.0126 1284 PHE 90 CE2 0.0012 -0.0071 0.0128 1285 PHE 90 CZ 0.0001 -0.0075 0.0121 1286 PHE 90 H -0.0075 -0.0130 0.0129 1287 PHE 90 HA -0.0040 -0.0109 0.0133 1288 PHE 90 HB2 -0.0037 -0.0127 0.0170 1289 PHE 90 HB3 -0.0017 -0.0113 0.0169 1290 PHE 90 HD1 -0.0044 -0.0117 0.0143 1291 PHE 90 HD2 0.0010 -0.0082 0.0145 1292 PHE 90 HE1 -0.0028 -0.0094 0.0121 1293 PHE 90 HE2 0.0026 -0.0060 0.0124 1294 PHE 90 HZ 0.0007 -0.0066 0.0112 1295 ASP 91 N -0.0051 -0.0151 0.0157 1296 ASP 91 CA -0.0044 -0.0159 0.0159 1297 ASP 91 C -0.0047 -0.0155 0.0152 1298 ASP 91 O -0.0054 -0.0146 0.0146 1299 ASP 91 CB -0.0042 -0.0163 0.0174 1300 ASP 91 CG -0.0050 -0.0155 0.0184 1301 ASP 91 OD1 -0.0056 -0.0147 0.0178 1302 ASP 91 OD2 -0.0050 -0.0157 0.0197 1303 ASP 91 H -0.0055 -0.0147 0.0164 1304 ASP 91 HA -0.0037 -0.0165 0.0154 1305 ASP 91 HB2 -0.0036 -0.0169 0.0175 1306 ASP 91 HB3 -0.0041 -0.0164 0.0178 1307 VAL 92 N -0.0046 -0.0139 0.0111 1308 VAL 92 CA -0.0050 -0.0130 0.0089 1309 VAL 92 C -0.0073 -0.0134 0.0079 1310 VAL 92 O -0.0080 -0.0129 0.0062 1311 VAL 92 CB -0.0033 -0.0119 0.0079 1312 VAL 92 CG1 -0.0037 -0.0120 0.0078 1313 VAL 92 CG2 -0.0032 -0.0108 0.0057 1314 VAL 92 H -0.0037 -0.0138 0.0114 1315 VAL 92 HA -0.0049 -0.0128 0.0085 1316 VAL 92 HB -0.0020 -0.0118 0.0087 1317 VAL 92 HG11 -0.0025 -0.0114 0.0074 1318 VAL 92 HG12 -0.0040 -0.0127 0.0091 1319 VAL 92 HG13 -0.0050 -0.0120 0.0068 1320 VAL 92 HG21 -0.0021 -0.0101 0.0052 1321 VAL 92 HG22 -0.0045 -0.0109 0.0048 1322 VAL 92 HG23 -0.0029 -0.0107 0.0058 1323 ASN 93 N -0.0042 -0.0146 0.0095 1324 ASN 93 CA -0.0061 -0.0139 0.0101 1325 ASN 93 C -0.0066 -0.0134 0.0099 1326 ASN 93 O -0.0082 -0.0129 0.0105 1327 ASN 93 CB -0.0069 -0.0149 0.0116 1328 ASN 93 CG -0.0067 -0.0153 0.0118 1329 ASN 93 OD1 -0.0067 -0.0143 0.0109 1330 ASN 93 ND2 -0.0064 -0.0167 0.0129 1331 ASN 93 H -0.0038 -0.0156 0.0102 1332 ASN 93 HA -0.0064 -0.0130 0.0095 1333 ASN 93 HB2 -0.0064 -0.0159 0.0122 1334 ASN 93 HB3 -0.0082 -0.0145 0.0120 1335 ASN 93 HD21 -0.0063 -0.0173 0.0135 1336 ASN 93 HD22 -0.0062 -0.0169 0.0130 1337 GLY 94 N -0.0016 -0.0126 0.0116 1338 GLY 94 CA -0.0014 -0.0113 0.0108 1339 GLY 94 C -0.0014 -0.0113 0.0107 1340 GLY 94 O -0.0013 -0.0102 0.0100 1341 GLY 94 H -0.0015 -0.0134 0.0110 1342 GLY 94 HA2 -0.0012 -0.0114 0.0098 1343 GLY 94 HA3 -0.0016 -0.0104 0.0112 1344 LYS 95 N -0.0041 -0.0116 0.0159 1345 LYS 95 CA -0.0044 -0.0110 0.0171 1346 LYS 95 C -0.0041 -0.0115 0.0150 1347 LYS 95 O -0.0031 -0.0136 0.0137 1348 LYS 95 CB -0.0038 -0.0125 0.0198 1349 LYS 95 CG -0.0042 -0.0118 0.0213 1350 LYS 95 CD -0.0034 -0.0139 0.0234 1351 LYS 95 CE -0.0036 -0.0134 0.0246 1352 LYS 95 NZ -0.0046 -0.0112 0.0231 1353 LYS 95 H -0.0035 -0.0131 0.0165 1354 LYS 95 HA -0.0052 -0.0091 0.0175 1355 LYS 95 HB2 -0.0040 -0.0122 0.0211 1356 LYS 95 HB3 -0.0030 -0.0143 0.0194 1357 LYS 95 HG2 -0.0042 -0.0116 0.0199 1358 LYS 95 HG3 -0.0049 -0.0102 0.0223 1359 LYS 95 HD2 -0.0034 -0.0139 0.0250 1360 LYS 95 HD3 -0.0026 -0.0156 0.0225 1361 LYS 95 HE2 -0.0039 -0.0130 0.0266 1362 LYS 95 HE3 -0.0030 -0.0149 0.0243 1363 LYS 95 HZ1 -0.0044 -0.0115 0.0213 1364 LYS 95 HZ2 -0.0047 -0.0109 0.0239 1365 LYS 95 HZ3 -0.0052 -0.0097 0.0233 1366 THR 96 N 0.0029 -0.0061 0.0146 1367 THR 96 CA 0.0015 -0.0060 0.0109 1368 THR 96 C -0.0001 -0.0070 0.0094 1369 THR 96 O 0.0009 -0.0060 0.0097 1370 THR 96 CB 0.0033 -0.0029 0.0088 1371 THR 96 OG1 0.0053 -0.0016 0.0107 1372 THR 96 CG2 0.0018 -0.0030 0.0053 1373 THR 96 H 0.0045 -0.0045 0.0151 1374 THR 96 HA 0.0004 -0.0071 0.0108 1375 THR 96 HB 0.0041 -0.0019 0.0084 1376 THR 96 HG1 0.0063 0.0001 0.0096 1377 THR 96 HG21 0.0029 -0.0013 0.0044 1378 THR 96 HG22 0.0010 -0.0031 0.0037 1379 THR 96 HG23 0.0005 -0.0047 0.0056 1380 ILE 97 N -0.0035 -0.0087 0.0142 1381 ILE 97 CA -0.0044 -0.0094 0.0132 1382 ILE 97 C -0.0058 -0.0087 0.0099 1383 ILE 97 O -0.0065 -0.0088 0.0088 1384 ILE 97 CB -0.0054 -0.0126 0.0146 1385 ILE 97 CG1 -0.0070 -0.0148 0.0137 1386 ILE 97 CG2 -0.0038 -0.0130 0.0179 1387 ILE 97 CD1 -0.0080 -0.0180 0.0149 1388 ILE 97 H -0.0043 -0.0096 0.0137 1389 ILE 97 HA -0.0034 -0.0082 0.0139 1390 ILE 97 HB -0.0059 -0.0129 0.0139 1391 ILE 97 HG12 -0.0065 -0.0145 0.0144 1392 ILE 97 HG13 -0.0079 -0.0144 0.0116 1393 ILE 97 HG21 -0.0043 -0.0149 0.0188 1394 ILE 97 HG22 -0.0027 -0.0114 0.0184 1395 ILE 97 HG23 -0.0034 -0.0130 0.0186 1396 ILE 97 HD11 -0.0092 -0.0192 0.0140 1397 ILE 97 HD12 -0.0084 -0.0182 0.0144 1398 ILE 97 HD13 -0.0072 -0.0185 0.0170 1399 SER 98 N -0.0065 -0.0026 0.0027 1400 SER 98 C -0.0104 0.0006 -0.0026 1401 SER 98 O -0.0090 -0.0024 0.0008 1402 SER 98 CA -0.0103 0.0002 -0.0021 1403 SER 98 CB -0.0162 -0.0023 -0.0041 1404 SER 98 OG -0.0194 -0.0071 -0.0025 1405 SER 98 H -0.0058 -0.0044 0.0046 1406 SER 98 HA -0.0088 0.0038 -0.0040 1407 SER 98 HB2 -0.0182 0.0002 -0.0075 1408 SER 98 HB3 -0.0158 -0.0031 -0.0033 1409 SER 98 HG -0.0200 -0.0065 -0.0034 1410 SER 98 CA -0.0105 -0.0001 -0.0021 1411 SER 98 CB -0.0165 -0.0034 -0.0035 1412 SER 98 OG -0.0201 -0.0004 -0.0083 1413 SER 98 H -0.0056 -0.0043 0.0046 1414 SER 98 HA -0.0095 0.0034 -0.0041 1415 SER 98 HB2 -0.0163 -0.0045 -0.0025 1416 SER 98 HB3 -0.0180 -0.0065 -0.0020 1417 SER 98 HG -0.0197 0.0013 -0.0093 1418 GLY 99 N -0.0134 0.0115 -0.0144 1419 GLY 99 CA -0.0127 0.0123 -0.0148 1420 GLY 99 C -0.0064 0.0159 -0.0148 1421 GLY 99 O -0.0023 0.0181 -0.0146 1422 GLY 99 H -0.0145 0.0136 -0.0174 1423 GLY 99 HA2 -0.0158 0.0135 -0.0180 1424 GLY 99 HA3 -0.0134 0.0091 -0.0119 1425 PRO 100 N -0.0054 0.0140 -0.0184 1426 PRO 100 CA 0.0005 0.0171 -0.0199 1427 PRO 100 C 0.0056 0.0168 -0.0151 1428 PRO 100 O 0.0106 0.0193 -0.0160 1429 PRO 100 CB 0.0001 0.0179 -0.0219 1430 PRO 100 CG -0.0038 0.0146 -0.0184 1431 PRO 100 CD -0.0085 0.0125 -0.0179 1432 PRO 100 HA 0.0010 0.0188 -0.0230 1433 PRO 100 HB2 0.0039 0.0191 -0.0213 1434 PRO 100 HB3 -0.0016 0.0192 -0.0259 1435 PRO 100 HG2 -0.0017 0.0137 -0.0147 1436 PRO 100 HG3 -0.0056 0.0148 -0.0203 1437 PRO 100 HD2 -0.0098 0.0102 -0.0143 1438 PRO 100 HD3 -0.0118 0.0126 -0.0210 1439 ALA 101 N 0.0055 0.0068 -0.0049 1440 ALA 101 CA 0.0101 0.0062 -0.0011 1441 ALA 101 C 0.0143 0.0086 -0.0024 1442 ALA 101 O 0.0132 0.0093 -0.0043 1443 ALA 101 CB 0.0087 0.0029 0.0035 1444 ALA 101 H 0.0027 0.0054 -0.0042 1445 ALA 101 HA 0.0113 0.0064 -0.0007 1446 ALA 101 HB1 0.0118 0.0025 0.0059 1447 ALA 101 HB2 0.0060 0.0014 0.0044 1448 ALA 101 HB3 0.0074 0.0027 0.0031 1449 PRO 102 N 0.0164 0.0073 -0.0060 1450 PRO 102 CA 0.0200 0.0090 -0.0074 1451 PRO 102 C 0.0209 0.0080 -0.0035 1452 PRO 102 O 0.0239 0.0094 -0.0044 1453 PRO 102 CB 0.0248 0.0109 -0.0077 1454 PRO 102 CG 0.0245 0.0094 -0.0037 1455 PRO 102 CD 0.0191 0.0076 -0.0041 1456 PRO 102 HA 0.0188 0.0098 -0.0107 1457 PRO 102 HB2 0.0278 0.0117 -0.0070 1458 PRO 102 HB3 0.0248 0.0121 -0.0110 1459 PRO 102 HG2 0.0256 0.0086 -0.0003 1460 PRO 102 HG3 0.0267 0.0104 -0.0042 1461 PRO 102 HD2 0.0181 0.0061 -0.0009 1462 PRO 102 HD3 0.0185 0.0082 -0.0066 1463 ARG 103 N 0.0132 0.0031 0.0096 1464 ARG 103 CA 0.0148 0.0027 0.0075 1465 ARG 103 C 0.0147 0.0032 0.0078 1466 ARG 103 O 0.0133 0.0036 0.0095 1467 ARG 103 CB 0.0153 -0.0001 0.0066 1468 ARG 103 CG 0.0139 -0.0022 0.0080 1469 ARG 103 CD 0.0146 -0.0048 0.0068 1470 ARG 103 NE 0.0155 -0.0044 0.0057 1471 ARG 103 CZ 0.0167 -0.0060 0.0041 1472 ARG 103 NH1 0.0170 -0.0081 0.0034 1473 ARG 103 NH2 0.0175 -0.0055 0.0031 1474 ARG 103 H 0.0124 0.0031 0.0105 1475 ARG 103 HA 0.0157 0.0039 0.0066 1476 ARG 103 HB2 0.0162 -0.0004 0.0054 1477 ARG 103 HB3 0.0155 -0.0003 0.0063 1478 ARG 103 HG2 0.0131 -0.0026 0.0089 1479 ARG 103 HG3 0.0132 -0.0017 0.0089 1480 ARG 103 HD2 0.0153 -0.0053 0.0059 1481 ARG 103 HD3 0.0137 -0.0061 0.0078 1482 ARG 103 HE 0.0154 -0.0032 0.0060 1483 ARG 103 HH11 0.0164 -0.0085 0.0040 1484 ARG 103 HH12 0.0177 -0.0091 0.0024 1485 ARG 103 HH21 0.0173 -0.0042 0.0036 1486 ARG 103 HH22 0.0182 -0.0065 0.0021 1487 GLY 104 N 0.0098 0.0001 0.0108 1488 GLY 104 CA 0.0085 -0.0029 0.0116 1489 GLY 104 C 0.0085 -0.0042 0.0124 1490 GLY 104 O 0.0093 -0.0028 0.0123 1491 GLY 104 H 0.0112 0.0007 0.0118 1492 GLY 104 HA2 0.0069 -0.0033 0.0104 1493 GLY 104 HA3 0.0093 -0.0036 0.0129 1494 MET 105 N 0.0048 -0.0041 0.0087 1495 MET 105 CA 0.0047 -0.0050 0.0096 1496 MET 105 C 0.0060 -0.0054 0.0101 1497 MET 105 O 0.0069 -0.0052 0.0099 1498 MET 105 CB 0.0037 -0.0056 0.0101 1499 MET 105 CG 0.0024 -0.0054 0.0098 1500 MET 105 SD 0.0012 -0.0058 0.0102 1501 MET 105 CE 0.0013 -0.0070 0.0113 1502 MET 105 H 0.0044 -0.0041 0.0086 1503 MET 105 HA 0.0044 -0.0050 0.0095 1504 MET 105 HB2 0.0039 -0.0056 0.0101 1505 MET 105 HB3 0.0038 -0.0063 0.0108 1506 MET 105 HG2 0.0021 -0.0056 0.0099 1507 MET 105 HG3 0.0023 -0.0047 0.0091 1508 MET 105 HE1 0.0007 -0.0073 0.0116 1509 MET 105 HE2 0.0021 -0.0072 0.0116 1510 MET 105 HE3 0.0011 -0.0071 0.0115 1511 TYR 106 N 0.0092 -0.0017 0.0048 1512 TYR 106 CA 0.0097 -0.0033 0.0038 1513 TYR 106 C 0.0087 -0.0015 0.0030 1514 TYR 106 O 0.0084 0.0003 0.0046 1515 TYR 106 CB 0.0109 -0.0050 0.0061 1516 TYR 106 CG 0.0119 -0.0068 0.0071 1517 TYR 106 CD1 0.0125 -0.0090 0.0054 1518 TYR 106 CD2 0.0124 -0.0063 0.0097 1519 TYR 106 CE1 0.0134 -0.0107 0.0063 1520 TYR 106 CE2 0.0133 -0.0081 0.0106 1521 TYR 106 CZ 0.0138 -0.0102 0.0089 1522 TYR 106 OH 0.0148 -0.0119 0.0099 1523 TYR 106 H 0.0096 -0.0016 0.0065 1524 TYR 106 HA 0.0098 -0.0045 0.0022 1525 TYR 106 HB2 0.0108 -0.0038 0.0076 1526 TYR 106 HB3 0.0112 -0.0060 0.0054 1527 TYR 106 HD1 0.0122 -0.0094 0.0037 1528 TYR 106 HD2 0.0120 -0.0049 0.0108 1529 TYR 106 HE1 0.0137 -0.0122 0.0052 1530 TYR 106 HE2 0.0136 -0.0077 0.0124 1531 TYR 106 HH 0.0146 -0.0123 0.0087 1532 SER 107 N 0.0065 -0.0021 -0.0054 1533 SER 107 CA 0.0045 0.0001 -0.0058 1534 SER 107 C 0.0040 0.0009 -0.0058 1535 SER 107 O 0.0036 -0.0007 -0.0066 1536 SER 107 CB 0.0023 -0.0005 -0.0073 1537 SER 107 OG 0.0015 -0.0026 -0.0085 1538 SER 107 H 0.0063 -0.0035 -0.0061 1539 SER 107 HA 0.0050 0.0016 -0.0050 1540 SER 107 HB2 0.0011 0.0010 -0.0075 1541 SER 107 HB3 0.0027 -0.0011 -0.0073 1542 SER 107 HG 0.0010 -0.0021 -0.0087 1543 SER 107 N 0.0065 -0.0021 -0.0054 1544 SER 107 CA 0.0045 -0.0000 -0.0059 1545 SER 107 C 0.0042 0.0009 -0.0057 1546 SER 107 O 0.0044 -0.0007 -0.0062 1547 SER 107 CB 0.0022 -0.0011 -0.0076 1548 SER 107 OG 0.0001 0.0009 -0.0081 1549 SER 107 H 0.0063 -0.0035 -0.0061 1550 SER 107 HA 0.0047 0.0014 -0.0052 1551 SER 107 HB2 0.0024 -0.0017 -0.0077 1552 SER 107 HB3 0.0020 -0.0024 -0.0082 1553 SER 107 HG -0.0002 0.0014 -0.0081 1554 TYR 108 N 0.0038 0.0058 -0.0094 1555 TYR 108 CA 0.0029 0.0065 -0.0102 1556 TYR 108 C 0.0010 0.0073 -0.0120 1557 TYR 108 O 0.0007 0.0087 -0.0125 1558 TYR 108 CB 0.0041 0.0087 -0.0096 1559 TYR 108 CG 0.0059 0.0081 -0.0080 1560 TYR 108 CD1 0.0074 0.0074 -0.0065 1561 TYR 108 CD2 0.0061 0.0083 -0.0079 1562 TYR 108 CE1 0.0090 0.0069 -0.0051 1563 TYR 108 CE2 0.0077 0.0078 -0.0064 1564 TYR 108 CZ 0.0092 0.0071 -0.0050 1565 TYR 108 OH 0.0108 0.0065 -0.0035 1566 TYR 108 H 0.0043 0.0071 -0.0092 1567 TYR 108 HA 0.0029 0.0050 -0.0101 1568 TYR 108 HB2 0.0045 0.0099 -0.0095 1569 TYR 108 HB3 0.0034 0.0094 -0.0104 1570 TYR 108 HD1 0.0074 0.0073 -0.0066 1571 TYR 108 HD2 0.0051 0.0088 -0.0088 1572 TYR 108 HE1 0.0100 0.0064 -0.0041 1573 TYR 108 HE2 0.0078 0.0079 -0.0063 1574 TYR 108 HH 0.0110 0.0075 -0.0035 1575 ARG 109 N 0.0041 0.0105 -0.0172 1576 ARG 109 CA 0.0028 0.0110 -0.0163 1577 ARG 109 C 0.0016 0.0120 -0.0140 1578 ARG 109 O 0.0029 0.0127 -0.0125 1579 ARG 109 CB 0.0047 0.0110 -0.0160 1580 ARG 109 CG 0.0036 0.0116 -0.0149 1581 ARG 109 CD 0.0056 0.0116 -0.0148 1582 ARG 109 NE 0.0045 0.0120 -0.0139 1583 ARG 109 CZ 0.0057 0.0127 -0.0123 1584 ARG 109 NH1 0.0079 0.0131 -0.0114 1585 ARG 109 NH2 0.0045 0.0130 -0.0116 1586 ARG 109 H 0.0057 0.0103 -0.0175 1587 ARG 109 HA 0.0014 0.0105 -0.0173 1588 ARG 109 HB2 0.0053 0.0103 -0.0175 1589 ARG 109 HB3 0.0061 0.0115 -0.0150 1590 ARG 109 HG2 0.0030 0.0123 -0.0134 1591 ARG 109 HG3 0.0022 0.0112 -0.0158 1592 ARG 109 HD2 0.0063 0.0109 -0.0163 1593 ARG 109 HD3 0.0070 0.0120 -0.0137 1594 ARG 109 HE 0.0031 0.0118 -0.0144 1595 ARG 109 HH11 0.0087 0.0128 -0.0118 1596 ARG 109 HH12 0.0086 0.0135 -0.0104 1597 ARG 109 HH21 0.0031 0.0128 -0.0122 1598 ARG 109 HH22 0.0052 0.0135 -0.0106 1599 THR 110 N -0.0007 0.0121 -0.0129 1600 THR 110 CA -0.0017 0.0121 -0.0116 1601 THR 110 C -0.0026 0.0122 -0.0103 1602 THR 110 O -0.0030 0.0119 -0.0107 1603 THR 110 CB -0.0031 0.0114 -0.0124 1604 THR 110 OG1 -0.0023 0.0113 -0.0137 1605 THR 110 CG2 -0.0040 0.0114 -0.0111 1606 THR 110 H -0.0012 0.0118 -0.0132 1607 THR 110 HA -0.0010 0.0126 -0.0110 1608 THR 110 HB -0.0038 0.0110 -0.0128 1609 THR 110 HG1 -0.0030 0.0109 -0.0142 1610 THR 110 HG21 -0.0047 0.0110 -0.0117 1611 THR 110 HG22 -0.0047 0.0114 -0.0103 1612 THR 110 HG23 -0.0033 0.0119 -0.0105 1613 THR 110 N -0.0007 0.0121 -0.0129 1614 THR 110 CA -0.0017 0.0121 -0.0116 1615 THR 110 C -0.0026 0.0122 -0.0103 1616 THR 110 O -0.0030 0.0119 -0.0107 1617 THR 110 CB -0.0031 0.0114 -0.0124 1618 THR 110 OG1 -0.0042 0.0108 -0.0132 1619 THR 110 CG2 -0.0023 0.0113 -0.0137 1620 THR 110 H -0.0012 0.0118 -0.0132 1621 THR 110 HA -0.0010 0.0125 -0.0110 1622 THR 110 HB -0.0037 0.0114 -0.0115 1623 THR 110 HG1 -0.0048 0.0104 -0.0137 1624 THR 110 HG21 -0.0029 0.0108 -0.0148 1625 THR 110 HG22 -0.0024 0.0114 -0.0133 1626 THR 110 HG23 -0.0012 0.0116 -0.0140 1627 LYS 111 N 0.0003 0.0150 -0.0088 1628 LYS 111 CA -0.0008 0.0141 -0.0052 1629 LYS 111 C -0.0021 0.0125 -0.0045 1630 LYS 111 O -0.0017 0.0126 -0.0063 1631 LYS 111 CB 0.0005 0.0167 -0.0025 1632 LYS 111 CG 0.0018 0.0186 -0.0020 1633 LYS 111 CD 0.0030 0.0211 0.0008 1634 LYS 111 CE 0.0044 0.0231 0.0012 1635 LYS 111 NZ 0.0055 0.0254 0.0041 1636 LYS 111 H 0.0008 0.0155 -0.0094 1637 LYS 111 HA -0.0017 0.0129 -0.0050 1638 LYS 111 HB2 -0.0003 0.0159 -0.0002 1639 LYS 111 HB3 0.0014 0.0179 -0.0031 1640 LYS 111 HG2 0.0027 0.0194 -0.0042 1641 LYS 111 HG3 0.0009 0.0175 -0.0014 1642 LYS 111 HD2 0.0021 0.0202 0.0030 1643 LYS 111 HD3 0.0039 0.0222 0.0002 1644 LYS 111 HE2 0.0053 0.0240 -0.0010 1645 LYS 111 HE3 0.0035 0.0220 0.0016 1646 LYS 111 HZ1 0.0060 0.0261 0.0042 1647 LYS 111 HZ2 0.0066 0.0269 0.0037 1648 LYS 111 HZ3 0.0047 0.0247 0.0061 1649 VAL 112 N 0.0053 0.0126 -0.0022 1650 VAL 112 CA 0.0038 0.0078 -0.0011 1651 VAL 112 C 0.0069 0.0065 0.0027 1652 VAL 112 O 0.0098 0.0073 0.0052 1653 VAL 112 CB 0.0023 0.0048 -0.0010 1654 VAL 112 CG1 0.0008 -0.0002 0.0002 1655 VAL 112 CG2 -0.0006 0.0063 -0.0047 1656 VAL 112 H 0.0070 0.0132 -0.0009 1657 VAL 112 HA 0.0018 0.0073 -0.0028 1658 VAL 112 HB 0.0043 0.0052 0.0008 1659 VAL 112 HG11 -0.0002 -0.0020 0.0003 1660 VAL 112 HG12 0.0027 -0.0011 0.0026 1661 VAL 112 HG13 -0.0012 -0.0006 -0.0016 1662 VAL 112 HG21 -0.0016 0.0043 -0.0046 1663 VAL 112 HG22 -0.0026 0.0062 -0.0066 1664 VAL 112 HG23 0.0005 0.0094 -0.0052 1665 GLU 113 N 0.0072 0.0080 0.0071 1666 GLU 113 CA 0.0101 0.0068 0.0110 1667 GLU 113 C 0.0090 -0.0005 0.0096 1668 GLU 113 O 0.0052 -0.0018 0.0047 1669 GLU 113 CB 0.0097 0.0127 0.0103 1670 GLU 113 CG 0.0123 0.0109 0.0137 1671 GLU 113 CD 0.0117 0.0163 0.0128 1672 GLU 113 OE1 0.0122 0.0228 0.0134 1673 GLU 113 OE2 0.0107 0.0141 0.0115 1674 GLU 113 H 0.0044 0.0072 0.0036 1675 GLU 113 HA 0.0132 0.0069 0.0149 1676 GLU 113 HB2 0.0108 0.0173 0.0116 1677 GLU 113 HB3 0.0066 0.0131 0.0062 1678 GLU 113 HG2 0.0113 0.0062 0.0126 1679 GLU 113 HG3 0.0154 0.0109 0.0178 1680 ASN 114 N 0.0312 -0.0131 0.0071 1681 ASN 114 CA 0.0275 -0.0244 0.0100 1682 ASN 114 C 0.0143 -0.0235 0.0095 1683 ASN 114 O 0.0066 -0.0318 0.0115 1684 ASN 114 CB 0.0291 -0.0354 0.0129 1685 ASN 114 CG 0.0425 -0.0365 0.0134 1686 ASN 114 OD1 0.0515 -0.0328 0.0127 1687 ASN 114 ND2 0.0437 -0.0417 0.0148 1688 ASN 114 H 0.0384 -0.0103 0.0065 1689 ASN 114 HA 0.0331 -0.0257 0.0104 1690 ASN 114 HB2 0.0235 -0.0346 0.0126 1691 ASN 114 HB3 0.0271 -0.0427 0.0148 1692 ASN 114 HD21 0.0511 -0.0426 0.0152 1693 ASN 114 HD22 0.0372 -0.0443 0.0154 1694 ASN 115 N 0.0106 -0.0144 0.0074 1695 ASN 115 CA 0.0057 -0.0165 0.0037 1696 ASN 115 C -0.0013 -0.0135 -0.0013 1697 ASN 115 O -0.0060 -0.0156 -0.0048 1698 ASN 115 CB 0.0056 -0.0258 0.0034 1699 ASN 115 CG 0.0030 -0.0278 0.0014 1700 ASN 115 OD1 0.0044 -0.0234 0.0026 1701 ASN 115 ND2 -0.0008 -0.0342 -0.0016 1702 ASN 115 H 0.0132 -0.0107 0.0094 1703 ASN 115 HA 0.0071 -0.0138 0.0048 1704 ASN 115 HB2 0.0100 -0.0281 0.0065 1705 ASN 115 HB3 0.0027 -0.0283 0.0012 1706 ASN 115 HD21 -0.0017 -0.0370 -0.0023 1707 ASN 115 HD22 -0.0024 -0.0356 -0.0027 1708 ASN 115 N 0.0106 -0.0144 0.0074 1709 ASN 115 CA 0.0057 -0.0164 0.0037 1710 ASN 115 C -0.0013 -0.0133 -0.0013 1711 ASN 115 O -0.0059 -0.0153 -0.0047 1712 ASN 115 CB 0.0055 -0.0257 0.0033 1713 ASN 115 CG 0.0118 -0.0289 0.0078 1714 ASN 115 OD1 0.0152 -0.0244 0.0104 1715 ASN 115 ND2 0.0135 -0.0366 0.0088 1716 ASN 115 H 0.0133 -0.0107 0.0095 1717 ASN 115 HA 0.0071 -0.0136 0.0048 1718 ASN 115 HB2 0.0049 -0.0286 0.0028 1719 ASN 115 HB3 0.0019 -0.0267 0.0006 1720 ASN 115 HD21 0.0110 -0.0395 0.0069 1721 ASN 115 HD22 0.0170 -0.0387 0.0113 1722 THR 116 N -0.0004 -0.0066 -0.0007 1723 THR 116 CA -0.0035 -0.0035 -0.0055 1724 THR 116 C -0.0029 0.0027 -0.0072 1725 THR 116 O 0.0009 0.0060 -0.0042 1726 THR 116 CB -0.0029 -0.0024 -0.0052 1727 THR 116 OG1 -0.0040 -0.0082 -0.0042 1728 THR 116 CG2 -0.0057 0.0016 -0.0100 1729 THR 116 H 0.0022 -0.0050 0.0017 1730 THR 116 HA -0.0065 -0.0060 -0.0080 1731 THR 116 HB 0.0001 -0.0001 -0.0026 1732 THR 116 HG1 -0.0037 -0.0077 -0.0041 1733 THR 116 HG21 -0.0058 0.0013 -0.0101 1734 THR 116 HG22 -0.0044 0.0059 -0.0103 1735 THR 116 HG23 -0.0086 0.0001 -0.0128 1736 VAL 117 N -0.0066 0.0061 -0.0087 1737 VAL 117 CA -0.0064 0.0083 -0.0100 1738 VAL 117 C -0.0058 0.0111 -0.0109 1739 VAL 117 O -0.0065 0.0110 -0.0124 1740 VAL 117 CB -0.0079 0.0074 -0.0125 1741 VAL 117 CG1 -0.0077 0.0097 -0.0139 1742 VAL 117 CG2 -0.0086 0.0046 -0.0117 1743 VAL 117 H -0.0076 0.0049 -0.0098 1744 VAL 117 HA -0.0057 0.0087 -0.0087 1745 VAL 117 HB -0.0087 0.0071 -0.0139 1746 VAL 117 HG11 -0.0087 0.0089 -0.0153 1747 VAL 117 HG12 -0.0075 0.0113 -0.0148 1748 VAL 117 HG13 -0.0069 0.0103 -0.0126 1749 VAL 117 HG21 -0.0095 0.0041 -0.0133 1750 VAL 117 HG22 -0.0078 0.0049 -0.0102 1751 VAL 117 HG23 -0.0089 0.0031 -0.0110 1752 PHE 118 N -0.0012 0.0141 -0.0105 1753 PHE 118 CA -0.0004 0.0174 -0.0114 1754 PHE 118 C -0.0002 0.0189 -0.0129 1755 PHE 118 O -0.0001 0.0185 -0.0118 1756 PHE 118 CB 0.0008 0.0192 -0.0084 1757 PHE 118 CG 0.0008 0.0184 -0.0070 1758 PHE 118 CD1 0.0010 0.0199 -0.0081 1759 PHE 118 CD2 0.0005 0.0160 -0.0046 1760 PHE 118 CE1 0.0010 0.0191 -0.0069 1761 PHE 118 CE2 0.0005 0.0153 -0.0034 1762 PHE 118 CZ 0.0008 0.0168 -0.0045 1763 PHE 118 H -0.0010 0.0139 -0.0092 1764 PHE 118 HA -0.0006 0.0175 -0.0129 1765 PHE 118 HB2 0.0009 0.0187 -0.0068 1766 PHE 118 HB3 0.0013 0.0214 -0.0090 1767 PHE 118 HD1 0.0012 0.0214 -0.0097 1768 PHE 118 HD2 0.0003 0.0150 -0.0038 1769 PHE 118 HE1 0.0012 0.0202 -0.0076 1770 PHE 118 HE2 0.0003 0.0137 -0.0017 1771 PHE 118 HZ 0.0008 0.0163 -0.0037 1772 VAL 119 N 0.0013 0.0165 -0.0107 1773 VAL 119 CA 0.0022 0.0159 -0.0126 1774 VAL 119 C 0.0042 0.0170 -0.0125 1775 VAL 119 O 0.0053 0.0182 -0.0117 1776 VAL 119 CB 0.0026 0.0151 -0.0143 1777 VAL 119 CG1 0.0006 0.0139 -0.0144 1778 VAL 119 CG2 0.0039 0.0160 -0.0140 1779 VAL 119 H 0.0021 0.0172 -0.0103 1780 VAL 119 HA 0.0013 0.0152 -0.0128 1781 VAL 119 HB 0.0032 0.0147 -0.0155 1782 VAL 119 HG11 0.0009 0.0134 -0.0155 1783 VAL 119 HG12 -0.0002 0.0132 -0.0148 1784 VAL 119 HG13 -0.0000 0.0143 -0.0132 1785 VAL 119 HG21 0.0040 0.0154 -0.0150 1786 VAL 119 HG22 0.0034 0.0165 -0.0127 1787 VAL 119 HG23 0.0053 0.0167 -0.0141 1788 ASP 120 N 0.0080 0.0171 -0.0126 1789 ASP 120 CA 0.0101 0.0170 -0.0127 1790 ASP 120 C 0.0117 0.0162 -0.0140 1791 ASP 120 O 0.0115 0.0152 -0.0159 1792 ASP 120 CB 0.0095 0.0165 -0.0135 1793 ASP 120 CG 0.0116 0.0163 -0.0139 1794 ASP 120 OD1 0.0135 0.0166 -0.0133 1795 ASP 120 OD2 0.0113 0.0158 -0.0147 1796 ASP 120 H 0.0071 0.0166 -0.0136 1797 ASP 120 HA 0.0107 0.0177 -0.0114 1798 ASP 120 HB2 0.0085 0.0171 -0.0126 1799 ASP 120 HB3 0.0087 0.0158 -0.0148 1800 TYR 121 N 0.0152 0.0176 -0.0140 1801 TYR 121 CA 0.0163 0.0164 -0.0130 1802 TYR 121 C 0.0163 0.0145 -0.0134 1803 TYR 121 O 0.0172 0.0133 -0.0127 1804 TYR 121 CB 0.0175 0.0171 -0.0116 1805 TYR 121 CG 0.0177 0.0169 -0.0115 1806 TYR 121 CD1 0.0172 0.0183 -0.0117 1807 TYR 121 CD2 0.0185 0.0154 -0.0110 1808 TYR 121 CE1 0.0174 0.0181 -0.0116 1809 TYR 121 CE2 0.0187 0.0152 -0.0108 1810 TYR 121 CZ 0.0181 0.0165 -0.0111 1811 TYR 121 OH 0.0184 0.0163 -0.0109 1812 TYR 121 H 0.0153 0.0183 -0.0137 1813 TYR 121 HA 0.0163 0.0165 -0.0130 1814 TYR 121 HB2 0.0182 0.0165 -0.0110 1815 TYR 121 HB3 0.0175 0.0184 -0.0114 1816 TYR 121 HD1 0.0167 0.0193 -0.0121 1817 TYR 121 HD2 0.0188 0.0145 -0.0108 1818 TYR 121 HE1 0.0171 0.0190 -0.0118 1819 TYR 121 HE2 0.0191 0.0142 -0.0105 1820 TYR 121 HH 0.0188 0.0153 -0.0106 1821 ALA 122 N 0.0189 0.0169 -0.0127 1822 ALA 122 CA 0.0200 0.0169 -0.0133 1823 ALA 122 C 0.0191 0.0160 -0.0143 1824 ALA 122 O 0.0199 0.0159 -0.0149 1825 ALA 122 CB 0.0206 0.0178 -0.0121 1826 ALA 122 H 0.0183 0.0172 -0.0118 1827 ALA 122 HA 0.0209 0.0168 -0.0139 1828 ALA 122 HB1 0.0215 0.0178 -0.0126 1829 ALA 122 HB2 0.0211 0.0183 -0.0115 1830 ALA 122 HB3 0.0198 0.0178 -0.0116 1831 ALA 123 N 0.0148 0.0073 -0.0128 1832 ALA 123 CA 0.0129 0.0059 -0.0146 1833 ALA 123 C 0.0125 0.0053 -0.0152 1834 ALA 123 O 0.0104 0.0060 -0.0155 1835 ALA 123 CB 0.0103 0.0070 -0.0148 1836 ALA 123 H 0.0144 0.0084 -0.0121 1837 ALA 123 HA 0.0137 0.0045 -0.0154 1838 ALA 123 HB1 0.0095 0.0058 -0.0159 1839 ALA 123 HB2 0.0106 0.0080 -0.0139 1840 ALA 123 HB3 0.0092 0.0078 -0.0146 1841 ILE 124 N 0.0101 0.0011 -0.0091 1842 ILE 124 CA 0.0107 0.0010 -0.0087 1843 ILE 124 C 0.0102 -0.0019 -0.0102 1844 ILE 124 O 0.0108 -0.0042 -0.0106 1845 ILE 124 CB 0.0134 0.0012 -0.0066 1846 ILE 124 CG1 0.0138 0.0042 -0.0052 1847 ILE 124 CG2 0.0140 0.0009 -0.0063 1848 ILE 124 CD1 0.0165 0.0043 -0.0031 1849 ILE 124 H 0.0113 0.0000 -0.0086 1850 ILE 124 HA 0.0096 0.0026 -0.0090 1851 ILE 124 HB 0.0146 -0.0003 -0.0063 1852 ILE 124 HG12 0.0132 0.0057 -0.0050 1853 ILE 124 HG13 0.0129 0.0046 -0.0057 1854 ILE 124 HG21 0.0155 0.0016 -0.0049 1855 ILE 124 HG22 0.0142 -0.0011 -0.0069 1856 ILE 124 HG23 0.0126 0.0021 -0.0069 1857 ILE 124 HD11 0.0166 0.0062 -0.0023 1858 ILE 124 HD12 0.0172 0.0028 -0.0032 1859 ILE 124 HD13 0.0175 0.0039 -0.0025 1860 THR 125 N 0.0116 -0.0081 -0.0103 1861 THR 125 CA 0.0109 -0.0105 -0.0133 1862 THR 125 C 0.0120 -0.0103 -0.0109 1863 THR 125 O 0.0121 -0.0065 -0.0083 1864 THR 125 CB 0.0077 -0.0079 -0.0176 1865 THR 125 OG1 0.0066 -0.0087 -0.0203 1866 THR 125 CG2 0.0069 -0.0097 -0.0205 1867 THR 125 OXT 0.0129 -0.0139 -0.0116 1868 THR 125 H 0.0109 -0.0050 -0.0096 1869 THR 125 HA 0.0115 -0.0140 -0.0143 1870 THR 125 HB 0.0071 -0.0043 -0.0166 1871 THR 125 HG1 0.0076 -0.0089 -0.0186 1872 THR 125 HG21 0.0050 -0.0091 -0.0237 1873 THR 125 HG22 0.0069 -0.0081 -0.0192 1874 THR 125 HG23 0.0080 -0.0133 -0.0205