1 LYS 1 N -0.0053 -0.0008 -0.0050 2 LYS 1 CA -0.0067 0.0017 -0.0036 3 LYS 1 C -0.0043 0.0056 -0.0030 4 LYS 1 O -0.0032 0.0070 -0.0030 5 LYS 1 CB -0.0108 0.0022 -0.0019 6 LYS 1 CG -0.0128 0.0051 -0.0001 7 LYS 1 CD -0.0169 0.0052 0.0014 8 LYS 1 CE -0.0188 0.0083 0.0032 9 LYS 1 NZ -0.0229 0.0080 0.0046 10 LYS 1 H1 -0.0068 -0.0034 -0.0054 11 LYS 1 H2 -0.0025 -0.0011 -0.0061 12 LYS 1 H3 -0.0055 0.0003 -0.0045 13 LYS 1 HA -0.0066 0.0004 -0.0041 14 LYS 1 HB3 -0.0110 0.0024 -0.0017 15 LYS 1 HB2 -0.0126 -0.0006 -0.0023 16 LYS 1 HG3 -0.0129 0.0047 -0.0002 17 LYS 1 HG2 -0.0112 0.0079 0.0003 18 LYS 1 HD3 -0.0168 0.0055 0.0015 19 LYS 1 HD2 -0.0185 0.0024 0.0010 20 LYS 1 HE3 -0.0185 0.0082 0.0031 21 LYS 1 HE2 -0.0175 0.0111 0.0037 22 LYS 1 HZ1 -0.0242 0.0100 0.0058 23 LYS 1 HZ2 -0.0242 0.0053 0.0041 24 LYS 1 HZ3 -0.0232 0.0083 0.0048 25 VAL 2 N -0.0067 0.0019 -0.0000 26 VAL 2 CA -0.0031 0.0075 0.0030 27 VAL 2 C -0.0066 0.0108 0.0090 28 VAL 2 O -0.0071 0.0114 0.0100 29 VAL 2 CB 0.0035 0.0101 0.0006 30 VAL 2 CG1 0.0069 0.0160 0.0040 31 VAL 2 CG2 0.0069 0.0067 -0.0054 32 VAL 2 H -0.0064 0.0008 -0.0013 33 VAL 2 HA -0.0031 0.0078 0.0032 34 VAL 2 HB 0.0036 0.0101 0.0005 35 VAL 2 HG11 0.0117 0.0178 0.0021 36 VAL 2 HG12 0.0046 0.0184 0.0082 37 VAL 2 HG13 0.0069 0.0160 0.0040 38 VAL 2 HG21 0.0117 0.0085 -0.0072 39 VAL 2 HG22 0.0068 0.0066 -0.0054 40 VAL 2 HG23 0.0045 0.0025 -0.0079 41 PHE 3 N -0.0054 0.0088 0.0086 42 PHE 3 CA -0.0068 0.0098 0.0086 43 PHE 3 C -0.0058 0.0100 0.0091 44 PHE 3 O -0.0042 0.0103 0.0100 45 PHE 3 CB -0.0076 0.0118 0.0094 46 PHE 3 CG -0.0092 0.0119 0.0088 47 PHE 3 CD1 -0.0087 0.0115 0.0087 48 PHE 3 CD2 -0.0111 0.0125 0.0083 49 PHE 3 CE1 -0.0102 0.0116 0.0082 50 PHE 3 CE2 -0.0126 0.0127 0.0078 51 PHE 3 CZ -0.0121 0.0123 0.0077 52 PHE 3 H -0.0049 0.0095 0.0092 53 PHE 3 HA -0.0080 0.0091 0.0077 54 PHE 3 HB3 -0.0081 0.0127 0.0096 55 PHE 3 HB2 -0.0064 0.0124 0.0102 56 PHE 3 HD1 -0.0073 0.0110 0.0091 57 PHE 3 HD2 -0.0115 0.0129 0.0083 58 PHE 3 HE1 -0.0099 0.0112 0.0081 59 PHE 3 HE2 -0.0140 0.0131 0.0074 60 PHE 3 HZ -0.0132 0.0125 0.0074 61 GLU 4 N -0.0053 -0.0029 0.0161 62 GLU 4 CA -0.0085 -0.0059 0.0126 63 GLU 4 C -0.0074 0.0136 0.0102 64 GLU 4 O -0.0086 0.0274 0.0061 65 GLU 4 CB -0.0213 -0.0161 -0.0013 66 GLU 4 CG -0.0227 -0.0355 0.0007 67 GLU 4 CD -0.0354 -0.0452 -0.0131 68 GLU 4 OE1 -0.0408 -0.0499 -0.0189 69 GLU 4 OE2 -0.0397 -0.0499 -0.0175 70 GLU 4 H -0.0119 -0.0028 0.0079 71 GLU 4 HA -0.0024 -0.0141 0.0219 72 GLU 4 HB3 -0.0238 -0.0171 -0.0042 73 GLU 4 HB2 -0.0275 -0.0080 -0.0105 74 GLU 4 HG3 -0.0187 -0.0347 0.0056 75 GLU 4 HG2 -0.0174 -0.0441 0.0090 76 ARG 5 N -0.0048 0.0024 0.0070 77 ARG 5 CA -0.0046 0.0023 0.0067 78 ARG 5 C -0.0029 0.0037 0.0033 79 ARG 5 O -0.0022 0.0063 0.0033 80 ARG 5 CB -0.0058 -0.0015 0.0071 81 ARG 5 CG -0.0057 -0.0020 0.0067 82 ARG 5 CD -0.0070 -0.0060 0.0073 83 ARG 5 NE -0.0065 -0.0086 0.0046 84 ARG 5 CZ -0.0056 -0.0098 0.0017 85 ARG 5 NH1 -0.0049 -0.0083 0.0010 86 ARG 5 NH2 -0.0053 -0.0124 -0.0005 87 ARG 5 H -0.0056 0.0001 0.0077 88 ARG 5 HA -0.0051 0.0041 0.0088 89 ARG 5 HB3 -0.0055 -0.0035 0.0053 90 ARG 5 HB2 -0.0070 -0.0023 0.0096 91 ARG 5 HG3 -0.0060 -0.0001 0.0085 92 ARG 5 HG2 -0.0045 -0.0015 0.0040 93 ARG 5 HD3 -0.0082 -0.0066 0.0098 94 ARG 5 HD2 -0.0072 -0.0061 0.0076 95 ARG 5 HE -0.0070 -0.0097 0.0050 96 ARG 5 HH12 -0.0042 -0.0091 -0.0011 97 ARG 5 HH11 -0.0051 -0.0062 0.0027 98 ARG 5 HH22 -0.0046 -0.0132 -0.0026 99 ARG 5 HH21 -0.0058 -0.0135 -0.0000 100 CYS 6 N -0.0123 -0.0041 0.0027 101 CYS 6 CA -0.0100 -0.0038 0.0002 102 CYS 6 C -0.0083 -0.0004 -0.0003 103 CYS 6 O -0.0066 0.0005 -0.0018 104 CYS 6 CB -0.0089 -0.0064 -0.0020 105 CYS 6 SG -0.0105 -0.0106 -0.0019 106 CYS 6 H -0.0129 -0.0053 0.0029 107 CYS 6 HA -0.0102 -0.0044 0.0003 108 CYS 6 HB3 -0.0071 -0.0059 -0.0038 109 CYS 6 HB2 -0.0089 -0.0061 -0.0019 110 GLU 7 N -0.0139 0.0014 -0.0027 111 GLU 7 CA -0.0129 0.0040 -0.0028 112 GLU 7 C -0.0130 0.0055 -0.0018 113 GLU 7 O -0.0118 0.0071 -0.0026 114 GLU 7 CB -0.0135 0.0048 -0.0014 115 GLU 7 CG -0.0126 0.0075 -0.0013 116 GLU 7 CD -0.0134 0.0084 0.0003 117 GLU 7 OE1 -0.0149 0.0073 0.0018 118 GLU 7 OE2 -0.0125 0.0103 0.0002 119 GLU 7 H -0.0148 0.0005 -0.0020 120 GLU 7 HA -0.0116 0.0042 -0.0044 121 GLU 7 HB3 -0.0148 0.0046 0.0002 122 GLU 7 HB2 -0.0136 0.0037 -0.0020 123 GLU 7 HG3 -0.0114 0.0077 -0.0029 124 GLU 7 HG2 -0.0124 0.0086 -0.0009 125 LEU 8 N -0.0070 0.0063 0.0047 126 LEU 8 CA -0.0058 0.0077 0.0053 127 LEU 8 C -0.0059 0.0093 0.0043 128 LEU 8 O -0.0054 0.0106 0.0041 129 LEU 8 CB -0.0048 0.0074 0.0068 130 LEU 8 CG -0.0035 0.0088 0.0075 131 LEU 8 CD1 -0.0031 0.0091 0.0078 132 LEU 8 CD2 -0.0026 0.0084 0.0089 133 LEU 8 H -0.0072 0.0054 0.0052 134 LEU 8 HA -0.0056 0.0079 0.0055 135 LEU 8 HB3 -0.0051 0.0072 0.0066 136 LEU 8 HB2 -0.0048 0.0063 0.0075 137 LEU 8 HG -0.0036 0.0099 0.0067 138 LEU 8 HD11 -0.0022 0.0101 0.0083 139 LEU 8 HD12 -0.0038 0.0095 0.0068 140 LEU 8 HD13 -0.0031 0.0080 0.0085 141 LEU 8 HD21 -0.0017 0.0094 0.0094 142 LEU 8 HD22 -0.0026 0.0072 0.0096 143 LEU 8 HD23 -0.0029 0.0083 0.0086 144 ALA 9 N -0.0040 0.0031 0.0051 145 ALA 9 CA -0.0031 0.0014 0.0039 146 ALA 9 C -0.0005 0.0027 0.0021 147 ALA 9 O 0.0002 0.0033 0.0017 148 ALA 9 CB -0.0033 -0.0019 0.0032 149 ALA 9 H -0.0046 0.0020 0.0053 150 ALA 9 HA -0.0042 0.0017 0.0049 151 ALA 9 HB1 -0.0026 -0.0031 0.0024 152 ALA 9 HB2 -0.0052 -0.0029 0.0046 153 ALA 9 HB3 -0.0023 -0.0023 0.0023 154 ARG 10 N -0.0018 0.0003 -0.0014 155 ARG 10 CA -0.0009 0.0018 -0.0037 156 ARG 10 C -0.0015 0.0049 -0.0035 157 ARG 10 O -0.0012 0.0064 -0.0046 158 ARG 10 CB 0.0004 0.0009 -0.0058 159 ARG 10 CG 0.0013 -0.0019 -0.0066 160 ARG 10 CD 0.0026 -0.0024 -0.0090 161 ARG 10 NE 0.0025 -0.0026 -0.0087 162 ARG 10 CZ 0.0025 -0.0049 -0.0078 163 ARG 10 NH1 0.0026 -0.0072 -0.0073 164 ARG 10 NH2 0.0023 -0.0048 -0.0075 165 ARG 10 H -0.0016 -0.0009 -0.0013 166 ARG 10 HA -0.0006 0.0013 -0.0039 167 ARG 10 HB3 0.0010 0.0024 -0.0074 168 ARG 10 HB2 0.0002 0.0011 -0.0055 169 ARG 10 HG3 0.0008 -0.0035 -0.0052 170 ARG 10 HG2 0.0015 -0.0021 -0.0069 171 ARG 10 HD3 0.0034 -0.0043 -0.0097 172 ARG 10 HD2 0.0031 -0.0007 -0.0104 173 ARG 10 HE 0.0025 -0.0009 -0.0092 174 ARG 10 HH12 0.0026 -0.0089 -0.0067 175 ARG 10 HH11 0.0028 -0.0073 -0.0076 176 ARG 10 HH22 0.0022 -0.0065 -0.0068 177 ARG 10 HH21 0.0022 -0.0031 -0.0079 178 THR 11 N -0.0032 0.0011 -0.0020 179 THR 11 CA -0.0014 0.0000 -0.0011 180 THR 11 C 0.0004 -0.0000 -0.0026 181 THR 11 O 0.0018 -0.0007 -0.0024 182 THR 11 CB -0.0014 -0.0005 0.0001 183 THR 11 OG1 -0.0030 -0.0005 0.0016 184 THR 11 CG2 0.0005 -0.0016 0.0010 185 THR 11 H -0.0041 0.0014 -0.0019 186 THR 11 HA -0.0014 -0.0004 -0.0001 187 THR 11 HB -0.0015 -0.0000 -0.0009 188 THR 11 HG1 -0.0042 0.0002 0.0010 189 THR 11 HG21 0.0004 -0.0019 0.0018 190 THR 11 HG22 0.0018 -0.0016 -0.0001 191 THR 11 HG23 0.0006 -0.0021 0.0020 192 LEU 12 N 0.0045 0.0021 -0.0000 193 LEU 12 CA 0.0047 0.0024 0.0000 194 LEU 12 C 0.0050 0.0026 -0.0008 195 LEU 12 O 0.0054 0.0031 -0.0008 196 LEU 12 CB 0.0043 0.0020 0.0004 197 LEU 12 CG 0.0040 0.0020 0.0013 198 LEU 12 CD1 0.0036 0.0015 0.0016 199 LEU 12 CD2 0.0043 0.0027 0.0018 200 LEU 12 H 0.0042 0.0016 0.0001 201 LEU 12 HA 0.0049 0.0030 0.0004 202 LEU 12 HB3 0.0045 0.0022 0.0004 203 LEU 12 HB2 0.0041 0.0015 0.0001 204 LEU 12 HG 0.0038 0.0017 0.0014 205 LEU 12 HD11 0.0034 0.0014 0.0023 206 LEU 12 HD12 0.0034 0.0009 0.0013 207 LEU 12 HD13 0.0038 0.0017 0.0016 208 LEU 12 HD21 0.0041 0.0026 0.0024 209 LEU 12 HD22 0.0045 0.0030 0.0018 210 LEU 12 HD23 0.0046 0.0030 0.0016 211 LYS 13 N 0.0015 0.0045 -0.0022 212 LYS 13 CA 0.0018 0.0049 -0.0037 213 LYS 13 C 0.0017 0.0076 -0.0060 214 LYS 13 O 0.0012 0.0096 -0.0062 215 LYS 13 CB 0.0031 0.0021 -0.0051 216 LYS 13 CG 0.0035 0.0023 -0.0065 217 LYS 13 CD 0.0043 -0.0007 -0.0063 218 LYS 13 CE 0.0044 -0.0002 -0.0072 219 LYS 13 NZ 0.0051 -0.0032 -0.0063 220 LYS 13 H 0.0022 0.0026 -0.0025 221 LYS 13 HA 0.0011 0.0054 -0.0019 222 LYS 13 HB3 0.0038 0.0015 -0.0068 223 LYS 13 HB2 0.0032 0.0001 -0.0033 224 LYS 13 HG3 0.0026 0.0040 -0.0054 225 LYS 13 HG2 0.0039 0.0032 -0.0089 226 LYS 13 HD3 0.0053 -0.0022 -0.0078 227 LYS 13 HD2 0.0039 -0.0018 -0.0039 228 LYS 13 HE3 0.0035 0.0016 -0.0059 229 LYS 13 HE2 0.0050 0.0003 -0.0096 230 LYS 13 HZ1 0.0057 -0.0050 -0.0065 231 LYS 13 HZ2 0.0055 -0.0033 -0.0077 232 LYS 13 HZ3 0.0044 -0.0032 -0.0041 233 ARG 14 N -0.0073 0.0077 -0.0156 234 ARG 14 CA -0.0093 0.0042 -0.0139 235 ARG 14 C -0.0014 0.0027 -0.0128 236 ARG 14 O -0.0018 0.0028 -0.0129 237 ARG 14 CB -0.0134 -0.0038 -0.0098 238 ARG 14 CG -0.0230 -0.0032 -0.0105 239 ARG 14 CD -0.0273 -0.0109 -0.0067 240 ARG 14 NE -0.0236 -0.0169 -0.0034 241 ARG 14 CZ -0.0259 -0.0186 -0.0026 242 ARG 14 NH1 -0.0323 -0.0150 -0.0047 243 ARG 14 NH2 -0.0214 -0.0238 0.0003 244 ARG 14 H -0.0086 0.0047 -0.0141 245 ARG 14 HA -0.0138 0.0076 -0.0159 246 ARG 14 HB3 -0.0125 -0.0075 -0.0079 247 ARG 14 HB2 -0.0102 -0.0063 -0.0084 248 ARG 14 HG3 -0.0239 -0.0016 -0.0114 249 ARG 14 HG2 -0.0257 0.0011 -0.0129 250 ARG 14 HD3 -0.0341 -0.0106 -0.0071 251 ARG 14 HD2 -0.0268 -0.0123 -0.0059 252 ARG 14 HE -0.0190 -0.0198 -0.0017 253 ARG 14 HH12 -0.0340 -0.0163 -0.0041 254 ARG 14 HH11 -0.0354 -0.0109 -0.0070 255 ARG 14 HH22 -0.0230 -0.0252 0.0010 256 ARG 14 HH21 -0.0165 -0.0263 0.0018 257 LEU 15 N 0.0083 -0.0029 -0.0044 258 LEU 15 CA 0.0121 -0.0046 -0.0047 259 LEU 15 C 0.0145 -0.0049 -0.0090 260 LEU 15 O 0.0178 -0.0062 -0.0097 261 LEU 15 CB 0.0115 -0.0045 -0.0033 262 LEU 15 CG 0.0104 -0.0048 0.0015 263 LEU 15 CD1 0.0091 -0.0044 0.0024 264 LEU 15 CD2 0.0138 -0.0068 0.0043 265 LEU 15 H 0.0058 -0.0017 -0.0051 266 LEU 15 HA 0.0139 -0.0058 -0.0022 267 LEU 15 HB3 0.0142 -0.0056 -0.0043 268 LEU 15 HB2 0.0092 -0.0032 -0.0052 269 LEU 15 HG 0.0078 -0.0039 0.0025 270 LEU 15 HD11 0.0084 -0.0047 0.0058 271 LEU 15 HD12 0.0065 -0.0030 0.0005 272 LEU 15 HD13 0.0116 -0.0054 0.0013 273 LEU 15 HD21 0.0129 -0.0070 0.0077 274 LEU 15 HD22 0.0164 -0.0079 0.0033 275 LEU 15 HD23 0.0145 -0.0071 0.0039 276 GLY 16 N 0.0108 -0.0006 -0.0091 277 GLY 16 CA 0.0109 -0.0012 -0.0095 278 GLY 16 C 0.0096 -0.0020 -0.0090 279 GLY 16 O 0.0096 -0.0022 -0.0091 280 GLY 16 H 0.0109 -0.0012 -0.0095 281 GLY 16 HA3 0.0115 -0.0003 -0.0095 282 GLY 16 HA2 0.0115 -0.0019 -0.0104 283 MET 17 N 0.0080 -0.0034 -0.0042 284 MET 17 CA 0.0077 -0.0035 -0.0041 285 MET 17 C 0.0080 -0.0039 -0.0033 286 MET 17 O 0.0077 -0.0041 -0.0031 287 MET 17 CB 0.0080 -0.0031 -0.0046 288 MET 17 CG 0.0075 -0.0027 -0.0054 289 MET 17 SD 0.0064 -0.0030 -0.0054 290 MET 17 CE 0.0065 -0.0026 -0.0060 291 MET 17 H 0.0085 -0.0031 -0.0045 292 MET 17 HA 0.0070 -0.0036 -0.0041 293 MET 17 HB3 0.0079 -0.0032 -0.0045 294 MET 17 HB2 0.0087 -0.0029 -0.0047 295 MET 17 HG3 0.0078 -0.0024 -0.0058 296 MET 17 HG2 0.0075 -0.0027 -0.0055 297 MET 17 HE1 0.0059 -0.0027 -0.0060 298 MET 17 HE2 0.0067 -0.0022 -0.0065 299 MET 17 HE3 0.0069 -0.0027 -0.0057 300 ASP 18 N 0.0124 0.0017 -0.0004 301 ASP 18 CA 0.0129 0.0016 0.0005 302 ASP 18 C 0.0122 0.0025 0.0014 303 ASP 18 O 0.0114 0.0029 0.0011 304 ASP 18 CB 0.0133 0.0012 0.0000 305 ASP 18 CG 0.0139 0.0010 0.0009 306 ASP 18 OD1 0.0144 0.0010 0.0019 307 ASP 18 OD2 0.0140 0.0009 0.0007 308 ASP 18 H 0.0122 0.0015 -0.0013 309 ASP 18 HA 0.0136 0.0013 0.0011 310 ASP 18 HB3 0.0126 0.0015 -0.0004 311 ASP 18 HB2 0.0137 0.0006 -0.0007 312 GLY 19 N 0.0179 0.0014 0.0023 313 GLY 19 CA 0.0159 0.0000 0.0043 314 GLY 19 C 0.0125 0.0016 0.0038 315 GLY 19 O 0.0106 0.0006 0.0054 316 GLY 19 H 0.0178 0.0013 0.0024 317 GLY 19 HA3 0.0173 -0.0009 0.0047 318 GLY 19 HA2 0.0154 -0.0016 0.0060 319 TYR 20 N 0.0099 -0.0020 0.0014 320 TYR 20 CA 0.0061 -0.0029 -0.0003 321 TYR 20 C 0.0062 -0.0024 0.0015 322 TYR 20 O 0.0097 -0.0021 0.0009 323 TYR 20 CB 0.0065 -0.0041 -0.0054 324 TYR 20 CG 0.0022 -0.0050 -0.0073 325 TYR 20 CD1 -0.0015 -0.0056 -0.0080 326 TYR 20 CD2 0.0020 -0.0053 -0.0084 327 TYR 20 CE1 -0.0055 -0.0065 -0.0097 328 TYR 20 CE2 -0.0020 -0.0061 -0.0099 329 TYR 20 CZ -0.0057 -0.0067 -0.0105 330 TYR 20 OH -0.0096 -0.0076 -0.0121 331 TYR 20 H 0.0124 -0.0022 -0.0006 332 TYR 20 HA 0.0029 -0.0030 0.0007 333 TYR 20 HB3 0.0094 -0.0040 -0.0064 334 TYR 20 HB2 0.0070 -0.0043 -0.0067 335 TYR 20 HD1 -0.0014 -0.0054 -0.0072 336 TYR 20 HD2 0.0049 -0.0049 -0.0080 337 TYR 20 HE1 -0.0083 -0.0070 -0.0103 338 TYR 20 HE2 -0.0021 -0.0063 -0.0106 339 TYR 20 HH -0.0118 -0.0079 -0.0126 340 ARG 21 N -0.0002 0.0028 -0.0003 341 ARG 21 CA 0.0023 0.0043 -0.0011 342 ARG 21 C 0.0037 0.0076 -0.0011 343 ARG 21 O 0.0065 0.0086 -0.0021 344 ARG 21 CB 0.0049 0.0017 -0.0026 345 ARG 21 CG 0.0037 -0.0011 -0.0026 346 ARG 21 CD 0.0049 -0.0004 -0.0030 347 ARG 21 NE 0.0084 -0.0004 -0.0045 348 ARG 21 CZ 0.0102 0.0014 -0.0049 349 ARG 21 NH1 0.0090 0.0025 -0.0042 350 ARG 21 NH2 0.0133 0.0022 -0.0061 351 ARG 21 H -0.0023 0.0021 0.0005 352 ARG 21 HA 0.0013 0.0048 -0.0006 353 ARG 21 HB3 0.0070 0.0031 -0.0033 354 ARG 21 HB2 0.0056 0.0007 -0.0031 355 ARG 21 HG3 0.0046 -0.0035 -0.0034 356 ARG 21 HG2 0.0011 -0.0013 -0.0016 357 ARG 21 HD3 0.0039 -0.0024 -0.0029 358 ARG 21 HD2 0.0042 0.0021 -0.0023 359 ARG 21 HE 0.0094 -0.0020 -0.0052 360 ARG 21 HH12 0.0104 0.0040 -0.0046 361 ARG 21 HH11 0.0067 0.0019 -0.0034 362 ARG 21 HH22 0.0146 0.0037 -0.0064 363 ARG 21 HH21 0.0141 0.0014 -0.0066 364 GLY 22 N 0.0112 0.0116 0.0130 365 GLY 22 CA 0.0125 0.0113 0.0143 366 GLY 22 C 0.0148 0.0006 0.0165 367 GLY 22 O 0.0165 0.0004 0.0181 368 GLY 22 H 0.0056 0.0111 0.0076 369 GLY 22 HA3 0.0167 0.0175 0.0185 370 GLY 22 HA2 0.0073 0.0144 0.0092 371 ILE 23 N 0.0101 -0.0054 0.0049 372 ILE 23 CA 0.0106 -0.0037 0.0040 373 ILE 23 C 0.0138 -0.0026 0.0040 374 ILE 23 O 0.0151 -0.0012 0.0033 375 ILE 23 CB 0.0086 -0.0014 0.0021 376 ILE 23 CG1 0.0053 -0.0024 0.0021 377 ILE 23 CG2 0.0091 0.0003 0.0012 378 ILE 23 CD1 0.0034 -0.0002 0.0004 379 ILE 23 H 0.0099 -0.0044 0.0043 380 ILE 23 HA 0.0099 -0.0048 0.0045 381 ILE 23 HB 0.0093 -0.0002 0.0016 382 ILE 23 HG13 0.0051 -0.0039 0.0030 383 ILE 23 HG12 0.0044 -0.0032 0.0024 384 ILE 23 HG21 0.0077 0.0020 -0.0001 385 ILE 23 HG22 0.0115 0.0011 0.0012 386 ILE 23 HG23 0.0085 -0.0008 0.0018 387 ILE 23 HD11 0.0010 -0.0010 0.0004 388 ILE 23 HD12 0.0042 0.0006 0.0001 389 ILE 23 HD13 0.0035 0.0014 -0.0006 390 SER 24 N 0.0150 -0.0017 0.0070 391 SER 24 CA 0.0166 -0.0010 0.0074 392 SER 24 C 0.0168 0.0007 0.0066 393 SER 24 O 0.0157 0.0015 0.0059 394 SER 24 CB 0.0171 -0.0016 0.0078 395 SER 24 OG 0.0162 -0.0010 0.0072 396 SER 24 H 0.0143 -0.0023 0.0070 397 SER 24 HA 0.0174 -0.0014 0.0078 398 SER 24 HB3 0.0169 -0.0029 0.0083 399 SER 24 HB2 0.0184 -0.0012 0.0081 400 SER 24 HG 0.0167 -0.0011 0.0074 401 LEU 25 N 0.0099 0.0027 0.0055 402 LEU 25 CA 0.0097 0.0013 0.0060 403 LEU 25 C 0.0097 0.0001 0.0071 404 LEU 25 O 0.0100 -0.0007 0.0081 405 LEU 25 CB 0.0087 0.0007 0.0046 406 LEU 25 CG 0.0083 -0.0005 0.0048 407 LEU 25 CD1 0.0089 -0.0000 0.0056 408 LEU 25 CD2 0.0074 -0.0009 0.0033 409 LEU 25 H 0.0095 0.0030 0.0045 410 LEU 25 HA 0.0101 0.0017 0.0066 411 LEU 25 HB3 0.0082 0.0004 0.0041 412 LEU 25 HB2 0.0087 0.0017 0.0038 413 LEU 25 HG 0.0083 -0.0015 0.0055 414 LEU 25 HD11 0.0086 -0.0010 0.0057 415 LEU 25 HD12 0.0096 0.0002 0.0067 416 LEU 25 HD13 0.0090 0.0010 0.0050 417 LEU 25 HD21 0.0071 -0.0018 0.0035 418 LEU 25 HD22 0.0074 0.0001 0.0026 419 LEU 25 HD23 0.0069 -0.0013 0.0028 420 ALA 26 N 0.0125 0.0043 0.0067 421 ALA 26 CA 0.0104 0.0038 0.0072 422 ALA 26 C 0.0125 0.0038 0.0083 423 ALA 26 O 0.0114 0.0031 0.0100 424 ALA 26 CB 0.0085 0.0044 0.0042 425 ALA 26 H 0.0126 0.0049 0.0046 426 ALA 26 HA 0.0087 0.0030 0.0090 427 ALA 26 HB1 0.0070 0.0041 0.0046 428 ALA 26 HB2 0.0069 0.0044 0.0036 429 ALA 26 HB3 0.0101 0.0052 0.0024 430 ASN 27 N 0.0086 0.0031 0.0088 431 ASN 27 CA 0.0072 0.0028 0.0074 432 ASN 27 C 0.0070 0.0039 0.0074 433 ASN 27 O 0.0059 0.0048 0.0064 434 ASN 27 CB 0.0070 0.0005 0.0069 435 ASN 27 CG 0.0063 -0.0003 0.0061 436 ASN 27 OD1 0.0050 0.0003 0.0050 437 ASN 27 ND2 0.0071 -0.0017 0.0067 438 ASN 27 H 0.0094 0.0019 0.0094 439 ASN 27 HA 0.0063 0.0034 0.0066 440 ASN 27 HB3 0.0064 0.0003 0.0063 441 ASN 27 HB2 0.0081 -0.0003 0.0079 442 ASN 27 HD22 0.0067 -0.0024 0.0062 443 ASN 27 HD21 0.0082 -0.0021 0.0076 444 TRP 28 N 0.0053 0.0007 0.0024 445 TRP 28 CA 0.0052 0.0021 0.0021 446 TRP 28 C 0.0053 0.0046 0.0020 447 TRP 28 O 0.0044 0.0059 0.0010 448 TRP 28 CB 0.0066 0.0017 0.0034 449 TRP 28 CG 0.0065 -0.0005 0.0035 450 TRP 28 CD1 0.0077 -0.0022 0.0047 451 TRP 28 CD2 0.0054 -0.0014 0.0026 452 TRP 28 NE1 0.0073 -0.0040 0.0045 453 TRP 28 CE2 0.0058 -0.0035 0.0032 454 TRP 28 CE3 0.0039 -0.0004 0.0012 455 TRP 28 CZ2 0.0049 -0.0047 0.0025 456 TRP 28 CZ3 0.0030 -0.0016 0.0005 457 TRP 28 CH2 0.0035 -0.0038 0.0012 458 TRP 28 H 0.0064 -0.0002 0.0034 459 TRP 28 HA 0.0040 0.0016 0.0011 460 TRP 28 HB3 0.0067 0.0030 0.0033 461 TRP 28 HB2 0.0079 0.0019 0.0045 462 TRP 28 HD1 0.0087 -0.0020 0.0056 463 TRP 28 HE1 0.0080 -0.0054 0.0052 464 TRP 28 HE3 0.0036 0.0012 0.0008 465 TRP 28 HZ2 0.0053 -0.0064 0.0029 466 TRP 28 HZ3 0.0019 -0.0009 -0.0005 467 TRP 28 HH2 0.0028 -0.0046 0.0006 468 MET 29 N 0.0065 0.0056 0.0122 469 MET 29 CA 0.0049 0.0046 0.0132 470 MET 29 C 0.0044 0.0042 0.0140 471 MET 29 O 0.0039 0.0036 0.0156 472 MET 29 CB 0.0034 0.0041 0.0118 473 MET 29 CG 0.0036 0.0043 0.0113 474 MET 29 SD 0.0034 0.0038 0.0133 475 MET 29 CE 0.0012 0.0026 0.0138 476 MET 29 H 0.0064 0.0059 0.0108 477 MET 29 HA 0.0051 0.0045 0.0144 478 MET 29 HB3 0.0022 0.0034 0.0125 479 MET 29 HB2 0.0033 0.0043 0.0105 480 MET 29 HG3 0.0026 0.0040 0.0102 481 MET 29 HG2 0.0048 0.0051 0.0107 482 MET 29 HE1 0.0008 0.0022 0.0150 483 MET 29 HE2 0.0003 0.0024 0.0125 484 MET 29 HE3 0.0010 0.0024 0.0141 485 CYS 30 N 0.0081 0.0037 0.0138 486 CYS 30 CA 0.0073 0.0040 0.0131 487 CYS 30 C 0.0069 0.0040 0.0127 488 CYS 30 O 0.0064 0.0047 0.0123 489 CYS 30 CB 0.0071 0.0032 0.0126 490 CYS 30 SG 0.0062 0.0034 0.0117 491 CYS 30 H 0.0085 0.0031 0.0139 492 CYS 30 HA 0.0072 0.0047 0.0131 493 CYS 30 HB3 0.0073 0.0024 0.0125 494 CYS 30 HB2 0.0075 0.0031 0.0129 495 LEU 31 N -0.0002 0.0013 0.0090 496 LEU 31 CA -0.0022 0.0008 0.0065 497 LEU 31 C -0.0016 0.0030 0.0048 498 LEU 31 O -0.0023 0.0042 0.0023 499 LEU 31 CB -0.0037 -0.0018 0.0073 500 LEU 31 CG -0.0059 -0.0024 0.0049 501 LEU 31 CD1 -0.0074 -0.0029 0.0030 502 LEU 31 CD2 -0.0070 -0.0047 0.0059 503 LEU 31 H -0.0000 -0.0001 0.0109 504 LEU 31 HA -0.0031 0.0008 0.0052 505 LEU 31 HB3 -0.0028 -0.0018 0.0088 506 LEU 31 HB2 -0.0042 -0.0033 0.0084 507 LEU 31 HG -0.0053 -0.0008 0.0036 508 LEU 31 HD11 -0.0089 -0.0033 0.0013 509 LEU 31 HD12 -0.0066 -0.0011 0.0021 510 LEU 31 HD13 -0.0079 -0.0044 0.0042 511 LEU 31 HD21 -0.0085 -0.0052 0.0042 512 LEU 31 HD22 -0.0074 -0.0064 0.0073 513 LEU 31 HD23 -0.0058 -0.0042 0.0071 514 ALA 32 N 0.0015 0.0062 0.0124 515 ALA 32 CA 0.0020 0.0073 0.0110 516 ALA 32 C 0.0035 0.0095 0.0099 517 ALA 32 O 0.0035 0.0103 0.0078 518 ALA 32 CB 0.0025 0.0072 0.0127 519 ALA 32 H 0.0017 0.0056 0.0143 520 ALA 32 HA 0.0008 0.0066 0.0095 521 ALA 32 HB1 0.0029 0.0081 0.0115 522 ALA 32 HB2 0.0014 0.0057 0.0133 523 ALA 32 HB3 0.0037 0.0079 0.0143 524 LYS 33 N 0.0057 0.0088 0.0158 525 LYS 33 CA 0.0089 0.0105 0.0147 526 LYS 33 C 0.0070 0.0109 0.0125 527 LYS 33 O 0.0079 0.0128 0.0094 528 LYS 33 CB 0.0120 0.0097 0.0184 529 LYS 33 CG 0.0161 0.0117 0.0171 530 LYS 33 CD 0.0161 0.0118 0.0170 531 LYS 33 CE 0.0196 0.0140 0.0150 532 LYS 33 NZ 0.0234 0.0151 0.0154 533 LYS 33 H 0.0057 0.0074 0.0187 534 LYS 33 HA 0.0107 0.0121 0.0127 535 LYS 33 HB3 0.0105 0.0083 0.0200 536 LYS 33 HB2 0.0129 0.0090 0.0202 537 LYS 33 HG3 0.0188 0.0117 0.0190 538 LYS 33 HG2 0.0164 0.0133 0.0142 539 LYS 33 HD3 0.0131 0.0115 0.0155 540 LYS 33 HD2 0.0163 0.0103 0.0200 541 LYS 33 HE3 0.0185 0.0152 0.0119 542 LYS 33 HE2 0.0206 0.0136 0.0164 543 LYS 33 HZ1 0.0228 0.0159 0.0134 544 LYS 33 HZ2 0.0239 0.0139 0.0181 545 LYS 33 HZ3 0.0259 0.0162 0.0149 546 TRP 34 N 0.0072 0.0088 0.0052 547 TRP 34 CA 0.0032 0.0093 0.0025 548 TRP 34 C -0.0022 0.0107 -0.0024 549 TRP 34 O -0.0045 0.0127 -0.0061 550 TRP 34 CB 0.0012 0.0050 0.0068 551 TRP 34 CG 0.0073 0.0046 0.0106 552 TRP 34 CD1 0.0102 0.0016 0.0160 553 TRP 34 CD2 0.0114 0.0077 0.0089 554 TRP 34 NE1 0.0157 0.0024 0.0179 555 TRP 34 CE2 0.0166 0.0061 0.0137 556 TRP 34 CE3 0.0111 0.0114 0.0040 557 TRP 34 CZ2 0.0215 0.0082 0.0137 558 TRP 34 CZ3 0.0161 0.0135 0.0040 559 TRP 34 CH2 0.0212 0.0120 0.0087 560 TRP 34 H 0.0066 0.0056 0.0089 561 TRP 34 HA 0.0066 0.0121 0.0007 562 TRP 34 HB3 -0.0020 0.0053 0.0046 563 TRP 34 HB2 -0.0014 0.0019 0.0093 564 TRP 34 HD1 0.0080 -0.0010 0.0181 565 TRP 34 HE1 0.0184 0.0005 0.0219 566 TRP 34 HE3 0.0071 0.0126 0.0003 567 TRP 34 HZ2 0.0254 0.0069 0.0174 568 TRP 34 HZ3 0.0161 0.0164 0.0002 569 TRP 34 HH2 0.0249 0.0138 0.0084 570 GLU 35 N 0.0003 0.0079 -0.0000 571 GLU 35 CA -0.0019 0.0061 -0.0037 572 GLU 35 C -0.0008 0.0090 -0.0059 573 GLU 35 O -0.0018 0.0095 -0.0103 574 GLU 35 CB -0.0040 0.0016 -0.0015 575 GLU 35 CG -0.0060 -0.0020 -0.0006 576 GLU 35 CD -0.0082 -0.0033 -0.0052 577 GLU 35 OE1 -0.0085 -0.0017 -0.0092 578 GLU 35 OE2 -0.0096 -0.0059 -0.0045 579 GLU 35 H 0.0007 0.0067 0.0036 580 GLU 35 HA -0.0032 0.0056 -0.0067 581 GLU 35 HB3 -0.0054 0.0007 -0.0040 582 GLU 35 HB2 -0.0028 0.0018 0.0019 583 GLU 35 HG3 -0.0071 -0.0049 0.0015 584 GLU 35 HG2 -0.0046 -0.0011 0.0018 585 SER 36 N 0.0075 0.0121 -0.0023 586 SER 36 CA 0.0083 0.0131 -0.0048 587 SER 36 C 0.0118 0.0173 -0.0030 588 SER 36 O 0.0127 0.0184 -0.0051 589 SER 36 CB 0.0052 0.0093 -0.0033 590 SER 36 OG 0.0053 0.0094 0.0025 591 SER 36 H 0.0080 0.0127 0.0019 592 SER 36 HA 0.0084 0.0132 -0.0094 593 SER 36 HB3 0.0027 0.0062 -0.0044 594 SER 36 HB2 0.0056 0.0097 -0.0057 595 SER 36 HG 0.0035 0.0072 0.0044 596 GLY 37 N 0.0125 0.0227 -0.0033 597 GLY 37 CA 0.0179 0.0284 0.0002 598 GLY 37 C 0.0141 0.0258 0.0041 599 GLY 37 O 0.0174 0.0288 0.0036 600 GLY 37 H 0.0115 0.0225 0.0002 601 GLY 37 HA3 0.0223 0.0312 -0.0060 602 GLY 37 HA2 0.0206 0.0322 0.0060 603 TYR 38 N 0.0039 0.0134 0.0119 604 TYR 38 CA 0.0040 0.0136 0.0115 605 TYR 38 C 0.0036 0.0144 0.0095 606 TYR 38 O 0.0043 0.0147 0.0088 607 TYR 38 CB 0.0059 0.0134 0.0122 608 TYR 38 CG 0.0065 0.0126 0.0141 609 TYR 38 CD1 0.0053 0.0119 0.0156 610 TYR 38 CD2 0.0085 0.0126 0.0145 611 TYR 38 CE1 0.0059 0.0112 0.0173 612 TYR 38 CE2 0.0092 0.0119 0.0163 613 TYR 38 CZ 0.0079 0.0112 0.0177 614 TYR 38 OH 0.0085 0.0105 0.0195 615 TYR 38 H 0.0028 0.0130 0.0127 616 TYR 38 HA 0.0028 0.0132 0.0122 617 TYR 38 HB3 0.0057 0.0135 0.0120 618 TYR 38 HB2 0.0070 0.0138 0.0113 619 TYR 38 HD1 0.0037 0.0119 0.0153 620 TYR 38 HD2 0.0096 0.0131 0.0135 621 TYR 38 HE1 0.0048 0.0107 0.0184 622 TYR 38 HE2 0.0107 0.0119 0.0166 623 TYR 38 HH 0.0073 0.0101 0.0202 624 ASN 39 N 0.0073 0.0146 0.0006 625 ASN 39 CA 0.0070 0.0097 -0.0035 626 ASN 39 C 0.0038 0.0048 -0.0050 627 ASN 39 O 0.0054 0.0044 -0.0068 628 ASN 39 CB 0.0129 0.0104 -0.0081 629 ASN 39 CG 0.0133 0.0055 -0.0128 630 ASN 39 OD1 0.0094 0.0017 -0.0127 631 ASN 39 ND2 0.0182 0.0057 -0.0170 632 ASN 39 H 0.0095 0.0158 -0.0003 633 ASN 39 HA 0.0052 0.0091 -0.0024 634 ASN 39 HB3 0.0148 0.0113 -0.0090 635 ASN 39 HB2 0.0152 0.0139 -0.0070 636 ASN 39 HD22 0.0188 0.0026 -0.0203 637 ASN 39 HD21 0.0213 0.0089 -0.0169 638 THR 40 N 0.0035 0.0063 -0.0051 639 THR 40 CA 0.0021 0.0038 -0.0056 640 THR 40 C 0.0041 0.0012 -0.0079 641 THR 40 O 0.0035 -0.0004 -0.0084 642 THR 40 CB -0.0016 0.0023 -0.0045 643 THR 40 OG1 -0.0018 0.0002 -0.0054 644 THR 40 CG2 -0.0038 0.0047 -0.0022 645 THR 40 H 0.0022 0.0062 -0.0045 646 THR 40 HA 0.0021 0.0053 -0.0049 647 THR 40 HB -0.0025 0.0007 -0.0048 648 THR 40 HG1 -0.0034 -0.0018 -0.0055 649 THR 40 HG21 -0.0063 0.0034 -0.0016 650 THR 40 HG22 -0.0037 0.0063 -0.0015 651 THR 40 HG23 -0.0029 0.0063 -0.0018 652 ARG 41 N 0.0184 -0.0081 -0.0265 653 ARG 41 CA 0.0163 -0.0030 -0.0150 654 ARG 41 C 0.0111 -0.0055 -0.0067 655 ARG 41 O 0.0091 -0.0015 0.0032 656 ARG 41 CB 0.0122 -0.0079 -0.0122 657 ARG 41 CG 0.0130 -0.0005 -0.0043 658 ARG 41 CD 0.0081 -0.0062 -0.0008 659 ARG 41 NE 0.0034 -0.0049 0.0114 660 ARG 41 CZ 0.0054 0.0039 0.0185 661 ARG 41 NH1 0.0107 0.0110 0.0159 662 ARG 41 NH2 0.0019 0.0059 0.0288 663 ARG 41 H 0.0154 -0.0154 -0.0293 664 ARG 41 HA 0.0210 0.0055 -0.0142 665 ARG 41 HB3 0.0065 -0.0149 -0.0088 666 ARG 41 HB2 0.0139 -0.0109 -0.0200 667 ARG 41 HG3 0.0185 0.0059 -0.0083 668 ARG 41 HG2 0.0118 0.0031 0.0031 669 ARG 41 HD3 0.0048 -0.0146 -0.0047 670 ARG 41 HD2 0.0113 -0.0030 -0.0038 671 ARG 41 HE -0.0018 -0.0116 0.0141 672 ARG 41 HH12 0.0122 0.0177 0.0215 673 ARG 41 HH11 0.0134 0.0096 0.0082 674 ARG 41 HH22 0.0035 0.0126 0.0342 675 ARG 41 HH21 -0.0022 0.0006 0.0311 676 ALA 42 N 0.0100 -0.0041 -0.0151 677 ALA 42 CA 0.0117 -0.0035 -0.0150 678 ALA 42 C 0.0105 -0.0043 -0.0157 679 ALA 42 O 0.0083 -0.0046 -0.0149 680 ALA 42 CB 0.0124 -0.0018 -0.0125 681 ALA 42 H 0.0094 -0.0034 -0.0135 682 ALA 42 HA 0.0135 -0.0035 -0.0162 683 ALA 42 HB1 0.0137 -0.0013 -0.0125 684 ALA 42 HB2 0.0134 -0.0012 -0.0121 685 ALA 42 HB3 0.0107 -0.0016 -0.0112 686 THR 43 N 0.0124 -0.0068 -0.0101 687 THR 43 CA 0.0106 -0.0059 -0.0094 688 THR 43 C 0.0094 -0.0069 -0.0080 689 THR 43 O 0.0099 -0.0074 -0.0079 690 THR 43 CB 0.0099 -0.0038 -0.0102 691 THR 43 OG1 0.0102 -0.0037 -0.0105 692 THR 43 CG2 0.0109 -0.0028 -0.0116 693 THR 43 H 0.0128 -0.0071 -0.0102 694 THR 43 HA 0.0104 -0.0061 -0.0091 695 THR 43 HB 0.0085 -0.0033 -0.0095 696 THR 43 HG1 0.0095 -0.0044 -0.0096 697 THR 43 HG21 0.0104 -0.0013 -0.0122 698 THR 43 HG22 0.0108 -0.0029 -0.0114 699 THR 43 HG23 0.0124 -0.0033 -0.0122 700 ASN 44 N -0.0037 -0.0083 0.0007 701 ASN 44 CA -0.0067 -0.0100 0.0028 702 ASN 44 C -0.0054 -0.0070 0.0054 703 ASN 44 O -0.0027 -0.0054 0.0037 704 ASN 44 CB -0.0075 -0.0131 -0.0007 705 ASN 44 CG -0.0102 -0.0148 0.0011 706 ASN 44 OD1 -0.0132 -0.0159 0.0039 707 ASN 44 ND2 -0.0093 -0.0150 -0.0006 708 ASN 44 H -0.0011 -0.0065 -0.0005 709 ASN 44 HA -0.0091 -0.0111 0.0049 710 ASN 44 HB3 -0.0050 -0.0121 -0.0030 711 ASN 44 HB2 -0.0084 -0.0152 -0.0025 712 ASN 44 HD22 -0.0111 -0.0161 0.0004 713 ASN 44 HD21 -0.0069 -0.0140 -0.0030 714 TYR 45 N -0.0121 -0.0070 0.0082 715 TYR 45 CA -0.0078 -0.0070 0.0091 716 TYR 45 C -0.0077 -0.0065 0.0055 717 TYR 45 O -0.0114 -0.0065 0.0049 718 TYR 45 CB -0.0078 -0.0078 0.0143 719 TYR 45 CG -0.0035 -0.0079 0.0155 720 TYR 45 CD1 0.0013 -0.0078 0.0153 721 TYR 45 CD2 -0.0042 -0.0082 0.0168 722 TYR 45 CE1 0.0052 -0.0079 0.0164 723 TYR 45 CE2 -0.0002 -0.0082 0.0179 724 TYR 45 CZ 0.0044 -0.0081 0.0177 725 TYR 45 OH 0.0084 -0.0082 0.0188 726 TYR 45 H -0.0152 -0.0074 0.0101 727 TYR 45 HA -0.0046 -0.0069 0.0086 728 TYR 45 HB3 -0.0112 -0.0080 0.0149 729 TYR 45 HB2 -0.0079 -0.0083 0.0168 730 TYR 45 HD1 0.0020 -0.0076 0.0144 731 TYR 45 HD2 -0.0079 -0.0083 0.0170 732 TYR 45 HE1 0.0089 -0.0078 0.0161 733 TYR 45 HE2 -0.0007 -0.0084 0.0188 734 TYR 45 HH 0.0114 -0.0079 0.0174 735 ASN 46 N 0.0014 -0.0053 0.0064 736 ASN 46 CA 0.0031 -0.0038 0.0034 737 ASN 46 C 0.0062 -0.0056 0.0034 738 ASN 46 O 0.0087 -0.0071 0.0035 739 ASN 46 CB 0.0041 -0.0029 0.0016 740 ASN 46 CG 0.0011 -0.0012 0.0016 741 ASN 46 OD1 -0.0009 0.0008 0.0006 742 ASN 46 ND2 0.0007 -0.0021 0.0030 743 ASN 46 H 0.0022 -0.0065 0.0073 744 ASN 46 HA 0.0016 -0.0022 0.0025 745 ASN 46 HB3 0.0055 -0.0019 -0.0006 746 ASN 46 HB2 0.0057 -0.0045 0.0025 747 ASN 46 HD22 -0.0012 -0.0010 0.0031 748 ASN 46 HD21 0.0024 -0.0038 0.0040 749 ALA 47 N 0.0020 -0.0000 -0.0031 750 ALA 47 CA 0.0082 -0.0043 -0.0037 751 ALA 47 C 0.0172 -0.0067 -0.0141 752 ALA 47 O 0.0255 -0.0129 -0.0137 753 ALA 47 CB 0.0011 0.0012 -0.0047 754 ALA 47 H -0.0055 0.0056 -0.0034 755 ALA 47 HA 0.0111 -0.0095 0.0045 756 ALA 47 HB1 0.0056 -0.0018 -0.0051 757 ALA 47 HB2 -0.0052 0.0028 0.0031 758 ALA 47 HB3 -0.0020 0.0065 -0.0127 759 GLY 48 N 0.0473 0.0357 -0.0396 760 GLY 48 CA -0.0011 -0.0038 -0.0333 761 GLY 48 C -0.0396 -0.0368 -0.0263 762 GLY 48 O -0.0894 -0.0547 -0.0486 763 GLY 48 H 0.0844 0.0408 -0.0127 764 GLY 48 HA3 0.0113 -0.0212 -0.0001 765 GLY 48 HA2 -0.0223 0.0076 -0.0669 766 ASP 49 N 0.0112 -0.0123 -0.0049 767 ASP 49 CA 0.0132 -0.0142 -0.0046 768 ASP 49 C 0.0136 -0.0153 -0.0017 769 ASP 49 O 0.0152 -0.0168 -0.0011 770 ASP 49 CB 0.0134 -0.0140 -0.0058 771 ASP 49 CG 0.0121 -0.0133 -0.0043 772 ASP 49 OD1 0.0109 -0.0128 -0.0022 773 ASP 49 OD2 0.0125 -0.0135 -0.0050 774 ASP 49 H 0.0098 -0.0114 -0.0039 775 ASP 49 HA 0.0144 -0.0149 -0.0057 776 ASP 49 HB3 0.0129 -0.0131 -0.0078 777 ASP 49 HB2 0.0150 -0.0153 -0.0063 778 ARG 50 N 0.0147 -0.0146 0.0062 779 ARG 50 CA 0.0163 -0.0094 0.0013 780 ARG 50 C 0.0208 -0.0093 -0.0019 781 ARG 50 O 0.0216 -0.0046 -0.0058 782 ARG 50 CB 0.0107 -0.0040 0.0011 783 ARG 50 CG 0.0073 -0.0029 0.0026 784 ARG 50 CD 0.0015 0.0022 0.0028 785 ARG 50 NE -0.0035 0.0002 0.0077 786 ARG 50 CZ -0.0091 0.0035 0.0090 787 ARG 50 NH1 -0.0102 0.0083 0.0063 788 ARG 50 NH2 -0.0134 0.0018 0.0132 789 ARG 50 H 0.0161 -0.0172 0.0071 790 ARG 50 HA 0.0183 -0.0093 -0.0002 791 ARG 50 HB3 0.0119 -0.0002 -0.0025 792 ARG 50 HB2 0.0077 -0.0046 0.0035 793 ARG 50 HG3 0.0063 -0.0068 0.0061 794 ARG 50 HG2 0.0101 -0.0020 -0.0000 795 ARG 50 HD3 0.0015 0.0055 0.0004 796 ARG 50 HD2 0.0012 0.0042 0.0015 797 ARG 50 HE -0.0024 -0.0041 0.0101 798 ARG 50 HH12 -0.0145 0.0108 0.0073 799 ARG 50 HH11 -0.0068 0.0093 0.0032 800 ARG 50 HH22 -0.0177 0.0043 0.0143 801 ARG 50 HH21 -0.0125 -0.0020 0.0153 802 SER 51 N 0.0079 -0.0055 0.0018 803 SER 51 CA 0.0069 -0.0053 0.0018 804 SER 51 C 0.0054 -0.0054 0.0021 805 SER 51 O 0.0051 -0.0053 0.0021 806 SER 51 CB 0.0070 -0.0042 0.0007 807 SER 51 OG 0.0064 -0.0034 0.0000 808 SER 51 H 0.0080 -0.0049 0.0012 809 SER 51 HA 0.0072 -0.0059 0.0023 810 SER 51 HB3 0.0082 -0.0041 0.0004 811 SER 51 HB2 0.0065 -0.0042 0.0007 812 SER 51 HG 0.0071 -0.0033 -0.0002 813 THR 52 N 0.0009 -0.0006 0.0032 814 THR 52 CA 0.0015 -0.0012 0.0026 815 THR 52 C 0.0017 -0.0014 0.0023 816 THR 52 O 0.0014 -0.0008 0.0021 817 THR 52 CB 0.0015 -0.0010 0.0018 818 THR 52 OG1 0.0013 -0.0008 0.0021 819 THR 52 CG2 0.0021 -0.0016 0.0011 820 THR 52 H 0.0006 -0.0000 0.0030 821 THR 52 HA 0.0017 -0.0018 0.0031 822 THR 52 HB 0.0013 -0.0004 0.0014 823 THR 52 HG1 0.0010 -0.0006 0.0028 824 THR 52 HG21 0.0022 -0.0013 0.0006 825 THR 52 HG22 0.0023 -0.0017 0.0009 826 THR 52 HG23 0.0024 -0.0022 0.0015 827 ASP 53 N -0.0037 -0.0040 0.0001 828 ASP 53 CA -0.0034 -0.0044 -0.0009 829 ASP 53 C -0.0031 -0.0047 -0.0022 830 ASP 53 O -0.0030 -0.0054 -0.0021 831 ASP 53 CB -0.0033 -0.0056 -0.0005 832 ASP 53 CG -0.0036 -0.0054 0.0008 833 ASP 53 OD1 -0.0038 -0.0043 0.0009 834 ASP 53 OD2 -0.0036 -0.0062 0.0017 835 ASP 53 H -0.0036 -0.0047 0.0005 836 ASP 53 HA -0.0035 -0.0035 -0.0011 837 ASP 53 HB3 -0.0031 -0.0058 -0.0012 838 ASP 53 HB2 -0.0032 -0.0064 -0.0003 839 TYR 54 N -0.0008 -0.0029 -0.0002 840 TYR 54 CA 0.0001 -0.0028 -0.0024 841 TYR 54 C 0.0011 -0.0042 -0.0045 842 TYR 54 O 0.0013 -0.0039 -0.0051 843 TYR 54 CB 0.0001 0.0001 -0.0033 844 TYR 54 CG -0.0007 0.0017 -0.0017 845 TYR 54 CD1 -0.0016 0.0030 0.0002 846 TYR 54 CD2 -0.0005 0.0021 -0.0022 847 TYR 54 CE1 -0.0023 0.0045 0.0016 848 TYR 54 CE2 -0.0013 0.0035 -0.0007 849 TYR 54 CZ -0.0021 0.0048 0.0011 850 TYR 54 OH -0.0028 0.0064 0.0025 851 TYR 54 H -0.0009 -0.0022 -0.0003 852 TYR 54 HA -0.0000 -0.0036 -0.0020 853 TYR 54 HB3 0.0009 0.0001 -0.0051 854 TYR 54 HB2 0.0001 0.0009 -0.0035 855 TYR 54 HD1 -0.0017 0.0028 0.0006 856 TYR 54 HD2 0.0002 0.0012 -0.0037 857 TYR 54 HE1 -0.0030 0.0055 0.0031 858 TYR 54 HE2 -0.0012 0.0037 -0.0010 859 TYR 54 HH -0.0034 0.0073 0.0036 860 GLY 55 N 0.0022 -0.0030 -0.0071 861 GLY 55 CA 0.0023 -0.0027 -0.0062 862 GLY 55 C 0.0031 -0.0020 -0.0049 863 GLY 55 O 0.0039 -0.0017 -0.0047 864 GLY 55 H 0.0029 -0.0030 -0.0080 865 GLY 55 HA3 0.0012 -0.0030 -0.0059 866 GLY 55 HA2 0.0027 -0.0028 -0.0070 867 ILE 56 N -0.0011 0.0012 -0.0015 868 ILE 56 CA -0.0004 0.0038 0.0003 869 ILE 56 C -0.0000 0.0047 0.0006 870 ILE 56 O 0.0013 0.0071 0.0010 871 ILE 56 CB -0.0019 0.0041 0.0030 872 ILE 56 CG1 -0.0010 0.0070 0.0046 873 ILE 56 CG2 -0.0039 0.0026 0.0046 874 ILE 56 CD1 -0.0022 0.0073 0.0068 875 ILE 56 H -0.0024 -0.0002 -0.0007 876 ILE 56 HA 0.0010 0.0051 -0.0007 877 ILE 56 HB -0.0022 0.0032 0.0026 878 ILE 56 HG13 0.0005 0.0081 0.0032 879 ILE 56 HG12 -0.0010 0.0078 0.0054 880 ILE 56 HG21 -0.0049 0.0028 0.0065 881 ILE 56 HG22 -0.0045 0.0005 0.0035 882 ILE 56 HG23 -0.0037 0.0033 0.0050 883 ILE 56 HD11 -0.0015 0.0094 0.0078 884 ILE 56 HD12 -0.0022 0.0065 0.0060 885 ILE 56 HD13 -0.0037 0.0063 0.0082 886 PHE 57 N -0.0031 -0.0024 -0.0003 887 PHE 57 CA -0.0038 -0.0032 0.0007 888 PHE 57 C -0.0050 -0.0031 0.0003 889 PHE 57 O -0.0058 -0.0037 0.0010 890 PHE 57 CB -0.0044 -0.0037 0.0013 891 PHE 57 CG -0.0034 -0.0040 0.0018 892 PHE 57 CD1 -0.0023 -0.0044 0.0027 893 PHE 57 CD2 -0.0034 -0.0038 0.0015 894 PHE 57 CE1 -0.0014 -0.0046 0.0031 895 PHE 57 CE2 -0.0025 -0.0040 0.0021 896 PHE 57 CZ -0.0014 -0.0044 0.0028 897 PHE 57 H -0.0035 -0.0021 -0.0008 898 PHE 57 HA -0.0031 -0.0035 0.0013 899 PHE 57 HB3 -0.0051 -0.0043 0.0020 900 PHE 57 HB2 -0.0052 -0.0034 0.0007 901 PHE 57 HD1 -0.0023 -0.0046 0.0029 902 PHE 57 HD2 -0.0042 -0.0034 0.0009 903 PHE 57 HE1 -0.0006 -0.0050 0.0038 904 PHE 57 HE2 -0.0026 -0.0039 0.0018 905 PHE 57 HZ -0.0007 -0.0046 0.0032 906 GLN 58 N -0.0034 -0.0054 -0.0022 907 GLN 58 CA -0.0038 -0.0054 -0.0033 908 GLN 58 C -0.0063 -0.0059 -0.0026 909 GLN 58 O -0.0066 -0.0060 -0.0016 910 GLN 58 CB -0.0019 -0.0051 -0.0026 911 GLN 58 CG 0.0005 -0.0046 -0.0038 912 GLN 58 CD 0.0004 -0.0046 -0.0065 913 GLN 58 OE1 0.0007 -0.0046 -0.0072 914 GLN 58 NE2 -0.0001 -0.0047 -0.0080 915 GLN 58 H -0.0029 -0.0053 -0.0034 916 GLN 58 HA -0.0038 -0.0054 -0.0052 917 GLN 58 HB3 -0.0024 -0.0052 -0.0030 918 GLN 58 HB2 -0.0016 -0.0050 -0.0006 919 GLN 58 HG3 0.0019 -0.0044 -0.0030 920 GLN 58 HG2 0.0009 -0.0046 -0.0036 921 GLN 58 HE22 -0.0001 -0.0047 -0.0098 922 GLN 58 HE21 -0.0004 -0.0048 -0.0073 923 ILE 59 N -0.0079 -0.0072 0.0032 924 ILE 59 CA -0.0090 -0.0067 0.0036 925 ILE 59 C -0.0103 -0.0057 0.0036 926 ILE 59 O -0.0101 -0.0048 0.0029 927 ILE 59 CB -0.0084 -0.0062 0.0027 928 ILE 59 CG1 -0.0073 -0.0074 0.0029 929 ILE 59 CG2 -0.0096 -0.0054 0.0029 930 ILE 59 CD1 -0.0063 -0.0070 0.0020 931 ILE 59 H -0.0071 -0.0068 0.0024 932 ILE 59 HA -0.0093 -0.0076 0.0044 933 ILE 59 HB -0.0078 -0.0055 0.0019 934 ILE 59 HG13 -0.0066 -0.0081 0.0030 935 ILE 59 HG12 -0.0078 -0.0080 0.0037 936 ILE 59 HG21 -0.0091 -0.0050 0.0024 937 ILE 59 HG22 -0.0103 -0.0046 0.0028 938 ILE 59 HG23 -0.0101 -0.0061 0.0038 939 ILE 59 HD11 -0.0056 -0.0078 0.0022 940 ILE 59 HD12 -0.0057 -0.0064 0.0012 941 ILE 59 HD13 -0.0070 -0.0063 0.0019 942 ASN 60 N -0.0120 0.0021 0.0062 943 ASN 60 CA -0.0102 0.0010 0.0054 944 ASN 60 C -0.0100 -0.0010 0.0055 945 ASN 60 O -0.0106 -0.0012 0.0059 946 ASN 60 CB -0.0088 0.0024 0.0043 947 ASN 60 CG -0.0069 0.0016 0.0033 948 ASN 60 OD1 -0.0060 0.0007 0.0029 949 ASN 60 ND2 -0.0064 0.0016 0.0030 950 ASN 60 H -0.0121 0.0032 0.0061 951 ASN 60 HA -0.0101 0.0006 0.0053 952 ASN 60 HB3 -0.0089 0.0028 0.0043 953 ASN 60 HB2 -0.0090 0.0039 0.0042 954 ASN 60 HD22 -0.0051 0.0011 0.0023 955 ASN 60 HD21 -0.0072 0.0023 0.0034 956 SER 61 N -0.0039 0.0033 0.0072 957 SER 61 CA -0.0041 0.0019 0.0071 958 SER 61 C -0.0035 0.0015 0.0065 959 SER 61 O -0.0037 0.0004 0.0064 960 SER 61 CB -0.0037 0.0011 0.0066 961 SER 61 OG -0.0027 0.0014 0.0057 962 SER 61 H -0.0034 0.0036 0.0068 963 SER 61 HA -0.0049 0.0016 0.0077 964 SER 61 HB3 -0.0041 0.0014 0.0070 965 SER 61 HB2 -0.0039 0.0001 0.0065 966 SER 61 HG -0.0024 0.0007 0.0053 967 ARG 62 N -0.0017 -0.0049 0.0039 968 ARG 62 CA 0.0016 -0.0054 0.0022 969 ARG 62 C 0.0009 -0.0047 0.0023 970 ARG 62 O 0.0028 -0.0066 0.0022 971 ARG 62 CB 0.0040 -0.0029 -0.0004 972 ARG 62 CG 0.0074 -0.0033 -0.0021 973 ARG 62 CD 0.0103 -0.0023 -0.0042 974 ARG 62 NE 0.0124 -0.0056 -0.0037 975 ARG 62 CZ 0.0122 -0.0056 -0.0036 976 ARG 62 NH1 0.0103 -0.0026 -0.0040 977 ARG 62 NH2 0.0144 -0.0081 -0.0035 978 ARG 62 H -0.0028 -0.0026 0.0032 979 ARG 62 HA 0.0031 -0.0082 0.0029 980 ARG 62 HB3 0.0024 -0.0001 -0.0010 981 ARG 62 HB2 0.0047 -0.0036 -0.0004 982 ARG 62 HG3 0.0083 -0.0061 -0.0011 983 ARG 62 HG2 0.0069 -0.0014 -0.0028 984 ARG 62 HD3 0.0121 -0.0012 -0.0058 985 ARG 62 HD2 0.0091 -0.0002 -0.0047 986 ARG 62 HE 0.0139 -0.0077 -0.0034 987 ARG 62 HH12 0.0101 -0.0025 -0.0040 988 ARG 62 HH11 0.0090 -0.0005 -0.0044 989 ARG 62 HH22 0.0143 -0.0081 -0.0034 990 ARG 62 HH21 0.0163 -0.0101 -0.0035 991 TYR 63 N -0.0034 -0.0048 0.0052 992 TYR 63 CA -0.0032 -0.0059 0.0058 993 TYR 63 C -0.0088 -0.0083 0.0153 994 TYR 63 O -0.0072 -0.0125 0.0169 995 TYR 63 CB -0.0053 0.0040 -0.0002 996 TYR 63 CG 0.0001 0.0069 -0.0100 997 TYR 63 CD1 0.0078 0.0020 -0.0157 998 TYR 63 CD2 -0.0022 0.0141 -0.0133 999 TYR 63 CE1 0.0130 0.0044 -0.0246 1000 TYR 63 CE2 0.0030 0.0165 -0.0223 1001 TYR 63 CZ 0.0105 0.0116 -0.0278 1002 TYR 63 OH 0.0157 0.0139 -0.0367 1003 TYR 63 H -0.0079 0.0010 0.0058 1004 TYR 63 HA 0.0027 -0.0114 0.0029 1005 TYR 63 HB3 -0.0049 0.0035 -0.0003 1006 TYR 63 HB2 -0.0112 0.0094 0.0028 1007 TYR 63 HD1 0.0098 -0.0038 -0.0132 1008 TYR 63 HD2 -0.0081 0.0179 -0.0089 1009 TYR 63 HE1 0.0188 0.0006 -0.0290 1010 TYR 63 HE2 0.0012 0.0221 -0.0248 1011 TYR 63 HH 0.0130 0.0206 -0.0391 1012 ARG 64 N -0.0073 -0.0019 0.0104 1013 ARG 64 CA -0.0074 -0.0019 0.0095 1014 ARG 64 C -0.0073 -0.0019 0.0096 1015 ARG 64 O -0.0071 -0.0014 0.0090 1016 ARG 64 CB -0.0079 -0.0027 0.0089 1017 ARG 64 CG -0.0080 -0.0028 0.0087 1018 ARG 64 CD -0.0084 -0.0035 0.0092 1019 ARG 64 NE -0.0084 -0.0036 0.0090 1020 ARG 64 CZ -0.0088 -0.0040 0.0082 1021 ARG 64 NH1 -0.0091 -0.0045 0.0076 1022 ARG 64 NH2 -0.0088 -0.0039 0.0080 1023 ARG 64 H -0.0075 -0.0024 0.0109 1024 ARG 64 HA -0.0071 -0.0014 0.0090 1025 ARG 64 HB2 -0.0082 -0.0033 0.0093 1026 ARG 64 HB3 -0.0080 -0.0027 0.0082 1027 ARG 64 HG2 -0.0082 -0.0029 0.0079 1028 ARG 64 HG3 -0.0076 -0.0022 0.0089 1029 ARG 64 HD2 -0.0082 -0.0035 0.0100 1030 ARG 64 HD3 -0.0088 -0.0042 0.0091 1031 ARG 64 HE -0.0082 -0.0032 0.0094 1032 ARG 64 HH12 -0.0094 -0.0048 0.0071 1033 ARG 64 HH11 -0.0091 -0.0045 0.0078 1034 ARG 64 HH22 -0.0090 -0.0042 0.0074 1035 ARG 64 HH21 -0.0085 -0.0036 0.0084 1036 CYS 65 N -0.0092 0.0012 0.0135 1037 CYS 65 CA -0.0091 0.0016 0.0131 1038 CYS 65 C -0.0094 0.0021 0.0137 1039 CYS 65 O -0.0096 0.0019 0.0144 1040 CYS 65 CB -0.0089 0.0010 0.0126 1041 CYS 65 SG -0.0091 0.0002 0.0132 1042 CYS 65 H -0.0094 0.0008 0.0139 1043 CYS 65 HA -0.0090 0.0021 0.0126 1044 CYS 65 HB3 -0.0087 0.0007 0.0122 1045 CYS 65 HB2 -0.0088 0.0014 0.0123 1046 ASN 66 N -0.0071 0.0060 0.0163 1047 ASN 66 CA -0.0077 0.0060 0.0149 1048 ASN 66 C -0.0071 0.0070 0.0141 1049 ASN 66 O -0.0066 0.0073 0.0144 1050 ASN 66 CB -0.0085 0.0051 0.0148 1051 ASN 66 CG -0.0092 0.0050 0.0134 1052 ASN 66 OD1 -0.0094 0.0051 0.0127 1053 ASN 66 ND2 -0.0094 0.0048 0.0131 1054 ASN 66 H -0.0070 0.0060 0.0169 1055 ASN 66 HA -0.0079 0.0059 0.0145 1056 ASN 66 HB3 -0.0083 0.0052 0.0153 1057 ASN 66 HB2 -0.0090 0.0044 0.0154 1058 ASN 66 HD22 -0.0099 0.0047 0.0122 1059 ASN 66 HD21 -0.0093 0.0048 0.0138 1060 ASP 67 N -0.0006 0.0069 0.0112 1061 ASP 67 CA 0.0002 0.0084 0.0095 1062 ASP 67 C -0.0009 0.0075 0.0071 1063 ASP 67 O -0.0003 0.0085 0.0055 1064 ASP 67 CB 0.0016 0.0105 0.0091 1065 ASP 67 CG 0.0016 0.0107 0.0077 1066 ASP 67 OD1 0.0003 0.0091 0.0067 1067 ASP 67 OD2 0.0028 0.0124 0.0076 1068 ASP 67 H -0.0010 0.0066 0.0105 1069 ASP 67 HA 0.0004 0.0086 0.0105 1070 ASP 67 HB3 0.0024 0.0111 0.0109 1071 ASP 67 HB2 0.0022 0.0115 0.0081 1072 GLY 68 N 0.0010 0.0023 0.0127 1073 GLY 68 CA 0.0015 -0.0058 0.0042 1074 GLY 68 C -0.0035 -0.0002 -0.0159 1075 GLY 68 O -0.0027 -0.0106 -0.0261 1076 GLY 68 H 0.0030 -0.0057 0.0125 1077 GLY 68 HA3 0.0024 -0.0028 0.0136 1078 GLY 68 HA2 0.0053 -0.0213 0.0044 1079 LYS 69 N 0.0040 0.0032 -0.0095 1080 LYS 69 CA 0.0019 0.0055 -0.0152 1081 LYS 69 C 0.0007 0.0043 -0.0179 1082 LYS 69 O -0.0009 0.0066 -0.0223 1083 LYS 69 CB 0.0024 0.0121 -0.0154 1084 LYS 69 CG 0.0041 0.0159 -0.0120 1085 LYS 69 CD 0.0042 0.0224 -0.0131 1086 LYS 69 CE 0.0051 0.0261 -0.0115 1087 LYS 69 NZ 0.0073 0.0302 -0.0069 1088 LYS 69 H 0.0054 0.0051 -0.0066 1089 LYS 69 HA 0.0008 0.0033 -0.0176 1090 LYS 69 HB3 0.0030 0.0127 -0.0141 1091 LYS 69 HB2 0.0008 0.0137 -0.0197 1092 LYS 69 HG3 0.0036 0.0148 -0.0129 1093 LYS 69 HG2 0.0058 0.0148 -0.0076 1094 LYS 69 HD3 0.0052 0.0238 -0.0108 1095 LYS 69 HD2 0.0025 0.0232 -0.0174 1096 LYS 69 HE3 0.0039 0.0287 -0.0150 1097 LYS 69 HE2 0.0055 0.0232 -0.0101 1098 LYS 69 HZ1 0.0080 0.0326 -0.0059 1099 LYS 69 HZ2 0.0070 0.0329 -0.0083 1100 LYS 69 HZ3 0.0085 0.0278 -0.0036 1101 THR 70 N 0.0024 0.0015 -0.0057 1102 THR 70 CA 0.0022 0.0008 -0.0050 1103 THR 70 C 0.0003 -0.0010 -0.0052 1104 THR 70 O -0.0003 -0.0023 -0.0042 1105 THR 70 CB 0.0034 0.0005 -0.0026 1106 THR 70 OG1 0.0051 0.0023 -0.0024 1107 THR 70 CG2 0.0032 -0.0000 -0.0019 1108 THR 70 H 0.0026 0.0011 -0.0046 1109 THR 70 HA 0.0025 0.0018 -0.0060 1110 THR 70 HB 0.0030 -0.0005 -0.0016 1111 THR 70 HG1 0.0053 0.0027 -0.0029 1112 THR 70 HG21 0.0041 -0.0002 -0.0003 1113 THR 70 HG22 0.0019 -0.0013 -0.0022 1114 THR 70 HG23 0.0037 0.0011 -0.0029 1115 PRO 71 N 0.0081 0.0021 -0.0080 1116 PRO 71 CA 0.0050 0.0020 -0.0068 1117 PRO 71 C 0.0057 -0.0008 -0.0052 1118 PRO 71 O 0.0076 -0.0032 -0.0044 1119 PRO 71 CB 0.0023 0.0017 -0.0056 1120 PRO 71 CG 0.0036 0.0025 -0.0066 1121 PRO 71 CD 0.0075 0.0018 -0.0076 1122 PRO 71 HA 0.0043 0.0041 -0.0079 1123 PRO 71 HB3 -0.0001 0.0033 -0.0058 1124 PRO 71 HB2 0.0019 -0.0007 -0.0039 1125 PRO 71 HG3 0.0027 0.0050 -0.0079 1126 PRO 71 HG2 0.0027 0.0012 -0.0054 1127 PRO 71 HD2 0.0084 -0.0005 -0.0064 1128 PRO 71 HD3 0.0085 0.0036 -0.0091 1129 GLY 72 N -0.0252 0.0289 0.0003 1130 GLY 72 CA -0.0177 0.0049 -0.0006 1131 GLY 72 C 0.0126 -0.0056 -0.0069 1132 GLY 72 O 0.0187 -0.0313 -0.0074 1133 GLY 72 H -0.0312 0.0474 0.0010 1134 GLY 72 HA3 -0.0324 -0.0132 0.0031 1135 GLY 72 HA2 -0.0211 0.0113 -0.0001 1136 ALA 73 N 0.0049 -0.0056 -0.0041 1137 ALA 73 CA 0.0041 -0.0045 -0.0001 1138 ALA 73 C 0.0058 -0.0082 0.0014 1139 ALA 73 O 0.0077 -0.0120 0.0015 1140 ALA 73 CB 0.0032 -0.0034 0.0045 1141 ALA 73 H 0.0052 -0.0062 -0.0033 1142 ALA 73 HA 0.0027 -0.0015 -0.0012 1143 ALA 73 HB1 0.0025 -0.0025 0.0075 1144 ALA 73 HB2 0.0018 -0.0006 0.0036 1145 ALA 73 HB3 0.0045 -0.0062 0.0056 1146 VAL 74 N 0.0081 -0.0109 0.0069 1147 VAL 74 CA 0.0102 -0.0129 0.0071 1148 VAL 74 C 0.0075 -0.0136 0.0141 1149 VAL 74 O 0.0104 -0.0172 0.0162 1150 VAL 74 CB 0.0093 -0.0090 0.0003 1151 VAL 74 CG1 0.0107 -0.0103 0.0005 1152 VAL 74 CG2 0.0132 -0.0093 -0.0067 1153 VAL 74 H 0.0039 -0.0068 0.0063 1154 VAL 74 HA 0.0151 -0.0170 0.0064 1155 VAL 74 HB 0.0046 -0.0047 0.0004 1156 VAL 74 HG11 0.0100 -0.0075 -0.0044 1157 VAL 74 HG12 0.0078 -0.0100 0.0055 1158 VAL 74 HG13 0.0154 -0.0146 0.0005 1159 VAL 74 HG21 0.0127 -0.0066 -0.0116 1160 VAL 74 HG22 0.0179 -0.0136 -0.0067 1161 VAL 74 HG23 0.0117 -0.0079 -0.0067 1162 ASN 75 N -0.0093 -0.0033 0.0194 1163 ASN 75 CA -0.0076 -0.0029 0.0196 1164 ASN 75 C -0.0063 -0.0042 0.0193 1165 ASN 75 O -0.0049 -0.0039 0.0194 1166 ASN 75 CB -0.0070 -0.0012 0.0201 1167 ASN 75 CG -0.0057 -0.0004 0.0204 1168 ASN 75 OD1 -0.0053 -0.0010 0.0203 1169 ASN 75 ND2 -0.0049 0.0009 0.0209 1170 ASN 75 H -0.0103 -0.0032 0.0194 1171 ASN 75 HA -0.0078 -0.0026 0.0197 1172 ASN 75 HB3 -0.0065 -0.0015 0.0201 1173 ASN 75 HB2 -0.0081 -0.0004 0.0203 1174 ASN 75 HD22 -0.0040 0.0015 0.0211 1175 ASN 75 HD21 -0.0053 0.0014 0.0210 1176 ALA 76 N -0.0072 -0.0032 0.0176 1177 ALA 76 CA -0.0066 -0.0027 0.0151 1178 ALA 76 C -0.0072 -0.0031 0.0140 1179 ALA 76 O -0.0063 -0.0025 0.0123 1180 ALA 76 CB -0.0073 -0.0032 0.0137 1181 ALA 76 H -0.0082 -0.0039 0.0180 1182 ALA 76 HA -0.0049 -0.0017 0.0151 1183 ALA 76 HB1 -0.0068 -0.0029 0.0119 1184 ALA 76 HB2 -0.0066 -0.0028 0.0145 1185 ALA 76 HB3 -0.0089 -0.0043 0.0138 1186 CYS 77 N -0.0075 -0.0038 0.0101 1187 CYS 77 CA -0.0063 -0.0041 0.0079 1188 CYS 77 C -0.0050 -0.0015 0.0078 1189 CYS 77 O -0.0038 -0.0014 0.0059 1190 CYS 77 CB -0.0074 -0.0064 0.0079 1191 CYS 77 SG -0.0085 -0.0097 0.0071 1192 CYS 77 H -0.0088 -0.0044 0.0117 1193 CYS 77 HA -0.0055 -0.0046 0.0062 1194 CYS 77 HB3 -0.0065 -0.0063 0.0065 1195 CYS 77 HB2 -0.0084 -0.0061 0.0098 1196 HIS 78 N -0.0060 -0.0027 0.0129 1197 HIS 78 CA -0.0020 0.0080 0.0121 1198 HIS 78 C 0.0009 0.0088 0.0096 1199 HIS 78 O 0.0077 0.0129 0.0043 1200 HIS 78 CB 0.0042 0.0124 0.0074 1201 HIS 78 CG 0.0007 0.0131 0.0110 1202 HIS 78 ND1 0.0005 0.0054 0.0090 1203 HIS 78 CD2 -0.0027 0.0207 0.0164 1204 HIS 78 CE1 -0.0030 0.0082 0.0131 1205 HIS 78 NE2 -0.0049 0.0175 0.0176 1206 HIS 78 H -0.0114 -0.0038 0.0178 1207 HIS 78 HA -0.0065 0.0129 0.0178 1208 HIS 78 HB3 0.0073 0.0202 0.0068 1209 HIS 78 HB2 0.0087 0.0074 0.0018 1210 HIS 78 HD1 0.0028 -0.0011 0.0050 1211 HIS 78 HD2 -0.0032 0.0275 0.0188 1212 HIS 78 HE1 -0.0038 0.0031 0.0124 1213 LEU 79 N -0.0072 0.0092 0.0087 1214 LEU 79 CA -0.0066 0.0085 0.0077 1215 LEU 79 C -0.0090 0.0088 0.0107 1216 LEU 79 O -0.0112 0.0073 0.0132 1217 LEU 79 CB -0.0064 0.0037 0.0065 1218 LEU 79 CG -0.0040 0.0020 0.0032 1219 LEU 79 CD1 -0.0044 -0.0025 0.0028 1220 LEU 79 CD2 -0.0017 0.0043 0.0009 1221 LEU 79 H -0.0092 0.0083 0.0108 1222 LEU 79 HA -0.0048 0.0104 0.0059 1223 LEU 79 HB3 -0.0078 0.0022 0.0080 1224 LEU 79 HB2 -0.0075 0.0022 0.0076 1225 LEU 79 HG -0.0032 0.0020 0.0023 1226 LEU 79 HD11 -0.0025 -0.0036 0.0002 1227 LEU 79 HD12 -0.0055 -0.0043 0.0039 1228 LEU 79 HD13 -0.0054 -0.0030 0.0040 1229 LEU 79 HD21 -0.0000 0.0026 -0.0015 1230 LEU 79 HD22 -0.0023 0.0048 0.0017 1231 LEU 79 HD23 -0.0010 0.0073 0.0007 1232 SER 80 N -0.0069 0.0125 0.0045 1233 SER 80 CA -0.0080 0.0127 0.0055 1234 SER 80 C -0.0071 0.0085 0.0062 1235 SER 80 O -0.0045 0.0064 0.0045 1236 SER 80 CB -0.0066 0.0154 0.0031 1237 SER 80 OG -0.0073 0.0151 0.0038 1238 SER 80 H -0.0053 0.0138 0.0023 1239 SER 80 HA -0.0104 0.0137 0.0076 1240 SER 80 HB3 -0.0042 0.0145 0.0009 1241 SER 80 HB2 -0.0075 0.0184 0.0027 1242 SER 80 HG -0.0094 0.0160 0.0056 1243 CYS 81 N -0.0082 0.0083 0.0033 1244 CYS 81 CA -0.0064 0.0065 0.0041 1245 CYS 81 C -0.0048 0.0056 0.0020 1246 CYS 81 O -0.0032 0.0042 0.0022 1247 CYS 81 CB -0.0062 0.0059 0.0058 1248 CYS 81 SG -0.0079 0.0067 0.0086 1249 CYS 81 H -0.0092 0.0090 0.0038 1250 CYS 81 HA -0.0062 0.0061 0.0051 1251 CYS 81 HB3 -0.0048 0.0046 0.0063 1252 CYS 81 HB2 -0.0064 0.0063 0.0049 1253 SER 82 N -0.0039 0.0097 -0.0029 1254 SER 82 CA 0.0001 0.0087 -0.0078 1255 SER 82 C 0.0031 0.0070 -0.0100 1256 SER 82 O 0.0072 0.0043 -0.0124 1257 SER 82 CB -0.0013 0.0127 -0.0121 1258 SER 82 OG -0.0033 0.0162 -0.0144 1259 SER 82 H -0.0070 0.0129 -0.0029 1260 SER 82 HA 0.0020 0.0060 -0.0066 1261 SER 82 HB3 -0.0036 0.0140 -0.0103 1262 SER 82 HB2 0.0017 0.0117 -0.0153 1263 SER 82 HG -0.0062 0.0176 -0.0119 1264 ALA 83 N -0.0024 0.0071 -0.0057 1265 ALA 83 CA -0.0008 0.0061 -0.0065 1266 ALA 83 C 0.0006 0.0035 -0.0054 1267 ALA 83 O 0.0023 0.0025 -0.0063 1268 ALA 83 CB -0.0019 0.0069 -0.0061 1269 ALA 83 H -0.0040 0.0080 -0.0049 1270 ALA 83 HA 0.0003 0.0067 -0.0084 1271 ALA 83 HB1 -0.0007 0.0062 -0.0067 1272 ALA 83 HB2 -0.0028 0.0087 -0.0070 1273 ALA 83 HB3 -0.0031 0.0064 -0.0042 1274 LEU 84 N -0.0022 0.0014 -0.0043 1275 LEU 84 CA -0.0009 -0.0008 -0.0027 1276 LEU 84 C 0.0009 -0.0008 -0.0037 1277 LEU 84 O 0.0020 -0.0024 -0.0025 1278 LEU 84 CB -0.0031 -0.0018 -0.0006 1279 LEU 84 CG -0.0051 -0.0020 0.0006 1280 LEU 84 CD1 -0.0073 -0.0028 0.0026 1281 LEU 84 CD2 -0.0036 -0.0032 0.0011 1282 LEU 84 H -0.0041 0.0022 -0.0042 1283 LEU 84 HA 0.0004 -0.0017 -0.0024 1284 LEU 84 HB3 -0.0022 -0.0034 0.0006 1285 LEU 84 HB2 -0.0044 -0.0009 -0.0008 1286 LEU 84 HG -0.0061 -0.0003 -0.0006 1287 LEU 84 HD11 -0.0086 -0.0029 0.0034 1288 LEU 84 HD12 -0.0086 -0.0018 0.0021 1289 LEU 84 HD13 -0.0064 -0.0044 0.0038 1290 LEU 84 HD21 -0.0051 -0.0032 0.0019 1291 LEU 84 HD22 -0.0024 -0.0048 0.0022 1292 LEU 84 HD23 -0.0022 -0.0023 -0.0005 1293 LEU 85 N 0.0074 0.0013 -0.0084 1294 LEU 85 CA 0.0085 0.0002 -0.0091 1295 LEU 85 C 0.0080 -0.0003 -0.0102 1296 LEU 85 O 0.0087 -0.0012 -0.0110 1297 LEU 85 CB 0.0092 -0.0005 -0.0096 1298 LEU 85 CG 0.0099 -0.0001 -0.0085 1299 LEU 85 CD1 0.0104 -0.0007 -0.0091 1300 LEU 85 CD2 0.0112 -0.0000 -0.0075 1301 LEU 85 H 0.0066 0.0014 -0.0090 1302 LEU 85 HA 0.0094 0.0003 -0.0083 1303 LEU 85 HB3 0.0099 -0.0013 -0.0101 1304 LEU 85 HB2 0.0083 -0.0005 -0.0103 1305 LEU 85 HG 0.0092 0.0007 -0.0079 1306 LEU 85 HD11 0.0109 -0.0005 -0.0083 1307 LEU 85 HD12 0.0094 -0.0007 -0.0097 1308 LEU 85 HD13 0.0111 -0.0016 -0.0097 1309 LEU 85 HD21 0.0117 0.0002 -0.0067 1310 LEU 85 HD22 0.0120 -0.0008 -0.0080 1311 LEU 85 HD23 0.0109 0.0005 -0.0070 1312 GLN 86 N 0.0018 0.0035 -0.0069 1313 GLN 86 CA 0.0020 0.0033 -0.0082 1314 GLN 86 C 0.0016 0.0018 -0.0092 1315 GLN 86 O 0.0013 0.0012 -0.0093 1316 GLN 86 CB 0.0029 0.0046 -0.0093 1317 GLN 86 CG 0.0034 0.0062 -0.0085 1318 GLN 86 CD 0.0042 0.0073 -0.0097 1319 GLN 86 OE1 0.0045 0.0076 -0.0107 1320 GLN 86 NE2 0.0045 0.0079 -0.0098 1321 GLN 86 H 0.0022 0.0042 -0.0070 1322 GLN 86 HA 0.0019 0.0034 -0.0077 1323 GLN 86 HB3 0.0030 0.0043 -0.0104 1324 GLN 86 HB2 0.0030 0.0046 -0.0097 1325 GLN 86 HG3 0.0033 0.0064 -0.0074 1326 GLN 86 HG2 0.0033 0.0062 -0.0082 1327 GLN 86 HE22 0.0050 0.0087 -0.0106 1328 GLN 86 HE21 0.0042 0.0076 -0.0091 1329 ASP 87 N -0.0063 -0.0020 -0.0012 1330 ASP 87 CA -0.0118 0.0009 -0.0029 1331 ASP 87 C -0.0157 0.0079 -0.0052 1332 ASP 87 O -0.0175 0.0130 -0.0068 1333 ASP 87 CB -0.0179 -0.0052 -0.0025 1334 ASP 87 CG -0.0156 -0.0113 -0.0006 1335 ASP 87 OD1 -0.0090 -0.0108 0.0004 1336 ASP 87 OD2 -0.0205 -0.0166 -0.0002 1337 ASP 87 H -0.0076 -0.0069 -0.0003 1338 ASP 87 HA -0.0087 0.0025 -0.0027 1339 ASP 87 HB3 -0.0231 -0.0025 -0.0040 1340 ASP 87 HB2 -0.0200 -0.0079 -0.0022 1341 ASN 88 N -0.0043 0.0107 -0.0003 1342 ASN 88 CA -0.0001 0.0087 -0.0044 1343 ASN 88 C -0.0024 0.0067 -0.0039 1344 ASN 88 O -0.0041 0.0100 -0.0009 1345 ASN 88 CB 0.0053 0.0140 -0.0047 1346 ASN 88 CG 0.0102 0.0121 -0.0091 1347 ASN 88 OD1 0.0100 0.0104 -0.0100 1348 ASN 88 ND2 0.0144 0.0123 -0.0118 1349 ASN 88 H -0.0038 0.0151 0.0019 1350 ASN 88 HA 0.0010 0.0051 -0.0072 1351 ASN 88 HB3 0.0043 0.0173 -0.0021 1352 ASN 88 HB2 0.0065 0.0160 -0.0044 1353 ASN 88 HD22 0.0178 0.0110 -0.0148 1354 ASN 88 HD21 0.0142 0.0136 -0.0109 1355 ILE 89 N -0.0006 0.0049 0.0018 1356 ILE 89 CA -0.0017 0.0034 0.0004 1357 ILE 89 C -0.0009 0.0011 0.0005 1358 ILE 89 O -0.0016 -0.0004 -0.0006 1359 ILE 89 CB -0.0025 0.0036 -0.0003 1360 ILE 89 CG1 -0.0012 0.0029 0.0006 1361 ILE 89 CG2 -0.0034 0.0058 -0.0007 1362 ILE 89 CD1 -0.0020 0.0028 -0.0001 1363 ILE 89 H 0.0001 0.0051 0.0026 1364 ILE 89 HA -0.0026 0.0038 -0.0004 1365 ILE 89 HB -0.0033 0.0025 -0.0014 1366 ILE 89 HG13 -0.0005 0.0013 0.0009 1367 ILE 89 HG12 -0.0004 0.0040 0.0018 1368 ILE 89 HG21 -0.0040 0.0059 -0.0012 1369 ILE 89 HG22 -0.0044 0.0061 -0.0015 1370 ILE 89 HG23 -0.0027 0.0070 0.0004 1371 ILE 89 HD11 -0.0010 0.0023 0.0007 1372 ILE 89 HD12 -0.0028 0.0016 -0.0012 1373 ILE 89 HD13 -0.0027 0.0043 -0.0003 1374 ALA 90 N 0.0047 0.0015 -0.0034 1375 ALA 90 CA 0.0078 -0.0026 -0.0041 1376 ALA 90 C 0.0052 -0.0042 -0.0057 1377 ALA 90 O 0.0052 -0.0087 -0.0076 1378 ALA 90 CB 0.0131 -0.0013 -0.0016 1379 ALA 90 H 0.0062 0.0047 -0.0015 1380 ALA 90 HA 0.0084 -0.0059 -0.0053 1381 ALA 90 HB1 0.0153 -0.0045 -0.0021 1382 ALA 90 HB2 0.0152 -0.0005 -0.0005 1383 ALA 90 HB3 0.0127 0.0020 -0.0003 1384 ASP 91 N 0.0053 -0.0044 -0.0079 1385 ASP 91 CA 0.0025 -0.0039 -0.0071 1386 ASP 91 C -0.0003 -0.0064 -0.0063 1387 ASP 91 O -0.0019 -0.0077 -0.0059 1388 ASP 91 CB 0.0013 -0.0002 -0.0068 1389 ASP 91 CG 0.0036 0.0024 -0.0074 1390 ASP 91 OD1 0.0055 0.0015 -0.0080 1391 ASP 91 OD2 0.0034 0.0054 -0.0074 1392 ASP 91 H 0.0058 -0.0026 -0.0080 1393 ASP 91 HA 0.0033 -0.0044 -0.0073 1394 ASP 91 HB3 -0.0011 -0.0000 -0.0061 1395 ASP 91 HB2 0.0009 0.0006 -0.0066 1396 ALA 92 N -0.0009 -0.0037 -0.0036 1397 ALA 92 CA -0.0025 -0.0048 -0.0039 1398 ALA 92 C -0.0020 -0.0073 -0.0037 1399 ALA 92 O -0.0034 -0.0088 -0.0040 1400 ALA 92 CB -0.0027 -0.0036 -0.0040 1401 ALA 92 H -0.0000 -0.0023 -0.0034 1402 ALA 92 HA -0.0041 -0.0047 -0.0044 1403 ALA 92 HB1 -0.0039 -0.0045 -0.0043 1404 ALA 92 HB2 -0.0032 -0.0019 -0.0042 1405 ALA 92 HB3 -0.0011 -0.0037 -0.0036 1406 VAL 93 N 0.0010 -0.0063 -0.0081 1407 VAL 93 CA 0.0018 -0.0086 -0.0084 1408 VAL 93 C 0.0025 -0.0110 -0.0089 1409 VAL 93 O 0.0020 -0.0131 -0.0101 1410 VAL 93 CB 0.0038 -0.0083 -0.0068 1411 VAL 93 CG1 0.0051 -0.0108 -0.0068 1412 VAL 93 CG2 0.0028 -0.0065 -0.0068 1413 VAL 93 H 0.0018 -0.0048 -0.0069 1414 VAL 93 HA 0.0005 -0.0090 -0.0096 1415 VAL 93 HB 0.0049 -0.0074 -0.0056 1416 VAL 93 HG11 0.0065 -0.0105 -0.0056 1417 VAL 93 HG12 0.0058 -0.0121 -0.0068 1418 VAL 93 HG13 0.0040 -0.0118 -0.0080 1419 VAL 93 HG21 0.0042 -0.0062 -0.0056 1420 VAL 93 HG22 0.0017 -0.0073 -0.0080 1421 VAL 93 HG23 0.0019 -0.0046 -0.0067 1422 ALA 94 N 0.0002 -0.0146 -0.0124 1423 ALA 94 CA 0.0004 -0.0155 -0.0125 1424 ALA 94 C -0.0023 -0.0161 -0.0129 1425 ALA 94 O -0.0027 -0.0180 -0.0132 1426 ALA 94 CB 0.0017 -0.0135 -0.0121 1427 ALA 94 H 0.0008 -0.0128 -0.0120 1428 ALA 94 HA 0.0016 -0.0172 -0.0127 1429 ALA 94 HB1 0.0018 -0.0142 -0.0122 1430 ALA 94 HB2 0.0036 -0.0131 -0.0119 1431 ALA 94 HB3 0.0005 -0.0117 -0.0119 1432 CYS 95 N -0.0034 -0.0111 -0.0066 1433 CYS 95 CA -0.0051 -0.0109 -0.0036 1434 CYS 95 C -0.0066 -0.0142 -0.0038 1435 CYS 95 O -0.0070 -0.0140 -0.0029 1436 CYS 95 CB -0.0064 -0.0099 -0.0007 1437 CYS 95 SG -0.0085 -0.0093 0.0032 1438 CYS 95 H -0.0036 -0.0114 -0.0065 1439 CYS 95 HA -0.0042 -0.0088 -0.0036 1440 CYS 95 HB3 -0.0073 -0.0118 -0.0007 1441 CYS 95 HB2 -0.0053 -0.0075 -0.0008 1442 ALA 96 N -0.0032 -0.0125 -0.0050 1443 ALA 96 CA -0.0033 -0.0127 -0.0050 1444 ALA 96 C -0.0032 -0.0132 -0.0049 1445 ALA 96 O -0.0034 -0.0135 -0.0049 1446 ALA 96 CB -0.0030 -0.0125 -0.0049 1447 ALA 96 H -0.0030 -0.0122 -0.0050 1448 ALA 96 HA -0.0036 -0.0127 -0.0052 1449 ALA 96 HB1 -0.0031 -0.0127 -0.0049 1450 ALA 96 HB2 -0.0031 -0.0121 -0.0050 1451 ALA 96 HB3 -0.0027 -0.0125 -0.0048 1452 LYS 97 N -0.0017 -0.0124 -0.0137 1453 LYS 97 CA -0.0019 -0.0132 -0.0129 1454 LYS 97 C -0.0036 -0.0132 -0.0126 1455 LYS 97 O -0.0041 -0.0142 -0.0117 1456 LYS 97 CB -0.0011 -0.0129 -0.0133 1457 LYS 97 CG 0.0007 -0.0132 -0.0133 1458 LYS 97 CD 0.0015 -0.0128 -0.0138 1459 LYS 97 CE 0.0032 -0.0131 -0.0137 1460 LYS 97 NZ 0.0039 -0.0126 -0.0143 1461 LYS 97 H -0.0011 -0.0117 -0.0144 1462 LYS 97 HA -0.0014 -0.0140 -0.0122 1463 LYS 97 HB3 -0.0015 -0.0133 -0.0128 1464 LYS 97 HB2 -0.0013 -0.0120 -0.0141 1465 LYS 97 HG3 0.0011 -0.0127 -0.0138 1466 LYS 97 HG2 0.0009 -0.0141 -0.0125 1467 LYS 97 HD3 0.0010 -0.0131 -0.0134 1468 LYS 97 HD2 0.0012 -0.0118 -0.0146 1469 LYS 97 HE3 0.0036 -0.0128 -0.0141 1470 LYS 97 HE2 0.0034 -0.0140 -0.0129 1471 LYS 97 HZ1 0.0050 -0.0125 -0.0145 1472 LYS 97 HZ2 0.0034 -0.0118 -0.0149 1473 LYS 97 HZ3 0.0039 -0.0131 -0.0138 1474 ARG 98 N -0.0069 -0.0136 -0.0103 1475 ARG 98 CA -0.0050 -0.0107 -0.0079 1476 ARG 98 C -0.0019 -0.0104 -0.0045 1477 ARG 98 O -0.0009 -0.0066 -0.0029 1478 ARG 98 CB -0.0046 -0.0122 -0.0076 1479 ARG 98 CG -0.0022 -0.0099 -0.0047 1480 ARG 98 CD -0.0030 -0.0049 -0.0051 1481 ARG 98 NE -0.0004 -0.0027 -0.0020 1482 ARG 98 CZ 0.0018 -0.0009 0.0007 1483 ARG 98 NH1 0.0022 -0.0012 0.0011 1484 ARG 98 NH2 0.0037 0.0012 0.0031 1485 ARG 98 H -0.0075 -0.0164 -0.0113 1486 ARG 98 HA -0.0061 -0.0074 -0.0088 1487 ARG 98 HB3 -0.0040 -0.0159 -0.0074 1488 ARG 98 HB2 -0.0067 -0.0117 -0.0099 1489 ARG 98 HG3 -0.0000 -0.0104 -0.0024 1490 ARG 98 HG2 -0.0018 -0.0115 -0.0044 1491 ARG 98 HD3 -0.0050 -0.0044 -0.0072 1492 ARG 98 HD2 -0.0036 -0.0033 -0.0055 1493 ARG 98 HE -0.0005 -0.0028 -0.0021 1494 ARG 98 HH12 0.0039 0.0003 0.0031 1495 ARG 98 HH11 0.0007 -0.0028 -0.0007 1496 ARG 98 HH22 0.0055 0.0026 0.0051 1497 ARG 98 HH21 0.0035 0.0013 0.0028 1498 VAL 99 N -0.0014 -0.0098 -0.0008 1499 VAL 99 CA -0.0007 -0.0099 0.0004 1500 VAL 99 C -0.0009 -0.0086 -0.0015 1501 VAL 99 O 0.0004 -0.0072 -0.0010 1502 VAL 99 CB -0.0019 -0.0125 0.0016 1503 VAL 99 CG1 -0.0015 -0.0128 0.0025 1504 VAL 99 CG2 -0.0016 -0.0139 0.0037 1505 VAL 99 H -0.0024 -0.0112 -0.0007 1506 VAL 99 HA 0.0008 -0.0091 0.0019 1507 VAL 99 HB -0.0035 -0.0134 0.0001 1508 VAL 99 HG11 -0.0024 -0.0147 0.0033 1509 VAL 99 HG12 -0.0019 -0.0119 0.0009 1510 VAL 99 HG13 0.0000 -0.0119 0.0039 1511 VAL 99 HG21 -0.0025 -0.0158 0.0045 1512 VAL 99 HG22 -0.0001 -0.0131 0.0052 1513 VAL 99 HG23 -0.0021 -0.0139 0.0030 1514 VAL 100 N 0.0020 -0.0048 -0.0024 1515 VAL 100 CA 0.0017 -0.0038 -0.0037 1516 VAL 100 C 0.0023 -0.0022 -0.0046 1517 VAL 100 O 0.0022 -0.0011 -0.0057 1518 VAL 100 CB -0.0001 -0.0044 -0.0046 1519 VAL 100 CG1 -0.0006 -0.0060 -0.0036 1520 VAL 100 CG2 -0.0011 -0.0046 -0.0055 1521 VAL 100 H 0.0011 -0.0056 -0.0025 1522 VAL 100 HA 0.0023 -0.0037 -0.0032 1523 VAL 100 HB -0.0001 -0.0036 -0.0054 1524 VAL 100 HG11 -0.0018 -0.0064 -0.0043 1525 VAL 100 HG12 0.0001 -0.0058 -0.0032 1526 VAL 100 HG13 -0.0005 -0.0068 -0.0027 1527 VAL 100 HG21 -0.0024 -0.0051 -0.0061 1528 VAL 100 HG22 -0.0011 -0.0053 -0.0047 1529 VAL 100 HG23 -0.0008 -0.0034 -0.0063 1530 ARG 101 N 0.0040 0.0042 -0.0062 1531 ARG 101 CA 0.0026 0.0107 -0.0066 1532 ARG 101 C 0.0082 0.0148 -0.0028 1533 ARG 101 O 0.0080 0.0211 -0.0024 1534 ARG 101 CB -0.0013 0.0098 -0.0091 1535 ARG 101 CG -0.0078 0.0086 -0.0133 1536 ARG 101 CD -0.0120 0.0095 -0.0159 1537 ARG 101 NE -0.0106 0.0046 -0.0153 1538 ARG 101 CZ -0.0129 -0.0016 -0.0173 1539 ARG 101 NH1 -0.0162 -0.0046 -0.0196 1540 ARG 101 NH2 -0.0118 -0.0051 -0.0168 1541 ARG 101 H 0.0040 -0.0002 -0.0065 1542 ARG 101 HA -0.0001 0.0140 -0.0080 1543 ARG 101 HB3 -0.0010 0.0145 -0.0085 1544 ARG 101 HB2 0.0006 0.0054 -0.0082 1545 ARG 101 HG3 -0.0082 0.0033 -0.0139 1546 ARG 101 HG2 -0.0093 0.0120 -0.0139 1547 ARG 101 HD3 -0.0166 0.0088 -0.0188 1548 ARG 101 HD2 -0.0119 0.0149 -0.0154 1549 ARG 101 HE -0.0075 0.0063 -0.0133 1550 ARG 101 HH12 -0.0180 -0.0094 -0.0210 1551 ARG 101 HH11 -0.0169 -0.0022 -0.0198 1552 ARG 101 HH22 -0.0137 -0.0099 -0.0183 1553 ARG 101 HH21 -0.0092 -0.0031 -0.0150 1554 ASP 102 N 0.0140 0.0170 -0.0062 1555 ASP 102 CA 0.0159 0.0193 -0.0008 1556 ASP 102 C 0.0158 0.0179 -0.0007 1557 ASP 102 O 0.0144 0.0139 -0.0037 1558 ASP 102 CB 0.0171 0.0163 0.0043 1559 ASP 102 CG 0.0180 0.0196 0.0058 1560 ASP 102 OD1 0.0173 0.0235 0.0023 1561 ASP 102 OD2 0.0192 0.0182 0.0104 1562 ASP 102 H 0.0136 0.0131 -0.0060 1563 ASP 102 HA 0.0164 0.0242 -0.0008 1564 ASP 102 HB3 0.0183 0.0162 0.0080 1565 ASP 102 HB2 0.0163 0.0117 0.0033 1566 PRO 103 N 0.0424 0.0740 0.0392 1567 PRO 103 CA 0.0179 -0.0196 0.0137 1568 PRO 103 C -0.0315 -0.0281 0.0136 1569 PRO 103 O -0.0083 -0.0938 -0.0061 1570 PRO 103 CB -0.0449 -0.0570 0.0060 1571 PRO 103 CG -0.0115 -0.0062 0.0189 1572 PRO 103 CD 0.0165 0.0890 0.0446 1573 PRO 103 HA 0.0837 -0.0598 -0.0007 1574 PRO 103 HB3 -0.0320 -0.1308 -0.0155 1575 PRO 103 HB2 -0.1199 -0.0405 0.0141 1576 PRO 103 HG3 0.0518 -0.0401 0.0064 1577 PRO 103 HG2 -0.0709 -0.0003 0.0233 1578 PRO 103 HD2 -0.0457 0.1340 0.0603 1579 PRO 103 HD3 0.0794 0.1140 0.0488 1580 GLN 104 N 0.0231 0.0223 -0.0125 1581 GLN 104 CA 0.0193 0.0244 -0.0131 1582 GLN 104 C 0.0108 0.0247 -0.0108 1583 GLN 104 O 0.0064 0.0276 -0.0119 1584 GLN 104 CB 0.0222 0.0195 -0.0098 1585 GLN 104 CG 0.0279 0.0206 -0.0125 1586 GLN 104 CD 0.0290 0.0163 -0.0091 1587 GLN 104 OE1 0.0298 0.0181 -0.0109 1588 GLN 104 NE2 0.0285 0.0106 -0.0040 1589 GLN 104 H 0.0267 0.0183 -0.0101 1590 GLN 104 HA 0.0206 0.0287 -0.0173 1591 GLN 104 HB3 0.0173 0.0185 -0.0074 1592 GLN 104 HB2 0.0242 0.0152 -0.0066 1593 GLN 104 HG3 0.0334 0.0203 -0.0139 1594 GLN 104 HG2 0.0265 0.0252 -0.0161 1595 GLN 104 HE22 0.0291 0.0075 -0.0015 1596 GLN 104 HE21 0.0275 0.0093 -0.0026 1597 GLY 105 N 0.0041 0.0049 -0.0042 1598 GLY 105 CA 0.0004 0.0043 -0.0040 1599 GLY 105 C -0.0019 0.0026 -0.0017 1600 GLY 105 O -0.0006 0.0011 0.0008 1601 GLY 105 H 0.0064 0.0049 -0.0036 1602 GLY 105 HA3 -0.0011 0.0056 -0.0063 1603 GLY 105 HA2 0.0005 0.0038 -0.0032 1604 ILE 106 N -0.0111 -0.0005 -0.0058 1605 ILE 106 CA -0.0120 0.0001 -0.0052 1606 ILE 106 C -0.0124 0.0004 -0.0060 1607 ILE 106 O -0.0131 0.0009 -0.0056 1608 ILE 106 CB -0.0130 0.0007 -0.0048 1609 ILE 106 CG1 -0.0139 0.0013 -0.0039 1610 ILE 106 CG2 -0.0134 0.0011 -0.0061 1611 ILE 106 CD1 -0.0144 0.0017 -0.0031 1612 ILE 106 H -0.0112 -0.0004 -0.0062 1613 ILE 106 HA -0.0118 -0.0001 -0.0042 1614 ILE 106 HB -0.0126 0.0004 -0.0043 1615 ILE 106 HG13 -0.0135 0.0011 -0.0033 1616 ILE 106 HG12 -0.0145 0.0017 -0.0045 1617 ILE 106 HG21 -0.0141 0.0015 -0.0058 1618 ILE 106 HG22 -0.0128 0.0007 -0.0066 1619 ILE 106 HG23 -0.0138 0.0013 -0.0067 1620 ILE 106 HD11 -0.0151 0.0021 -0.0025 1621 ILE 106 HD12 -0.0138 0.0012 -0.0025 1622 ILE 106 HD13 -0.0148 0.0020 -0.0037 1623 ARG 107 N -0.0122 0.0084 -0.0103 1624 ARG 107 CA -0.0050 0.0089 -0.0110 1625 ARG 107 C 0.0016 0.0016 -0.0073 1626 ARG 107 O 0.0073 0.0007 -0.0072 1627 ARG 107 CB 0.0005 0.0168 -0.0157 1628 ARG 107 CG -0.0057 0.0244 -0.0195 1629 ARG 107 CD -0.0006 0.0324 -0.0242 1630 ARG 107 NE -0.0076 0.0394 -0.0276 1631 ARG 107 CZ -0.0153 0.0387 -0.0268 1632 ARG 107 NH1 -0.0147 0.0350 -0.0249 1633 ARG 107 NH2 -0.0236 0.0416 -0.0280 1634 ARG 107 H -0.0123 0.0123 -0.0125 1635 ARG 107 HA -0.0085 0.0092 -0.0110 1636 ARG 107 HB3 0.0065 0.0167 -0.0159 1637 ARG 107 HB2 0.0030 0.0172 -0.0160 1638 ARG 107 HG3 -0.0120 0.0243 -0.0191 1639 ARG 107 HG2 -0.0079 0.0242 -0.0193 1640 ARG 107 HD3 0.0043 0.0335 -0.0250 1641 ARG 107 HD2 0.0032 0.0320 -0.0241 1642 ARG 107 HE -0.0066 0.0446 -0.0305 1643 ARG 107 HH12 -0.0204 0.0345 -0.0243 1644 ARG 107 HH11 -0.0084 0.0328 -0.0240 1645 ARG 107 HH22 -0.0293 0.0410 -0.0274 1646 ARG 107 HH21 -0.0242 0.0444 -0.0295 1647 ALA 108 N -0.0043 -0.0009 -0.0055 1648 ALA 108 CA -0.0010 -0.0041 -0.0018 1649 ALA 108 C -0.0042 -0.0053 0.0010 1650 ALA 108 O -0.0016 -0.0072 0.0029 1651 ALA 108 CB 0.0004 -0.0067 0.0016 1652 ALA 108 H -0.0051 -0.0007 -0.0056 1653 ALA 108 HA 0.0029 -0.0038 -0.0036 1654 ALA 108 HB1 0.0028 -0.0091 0.0043 1655 ALA 108 HB2 0.0030 -0.0059 -0.0004 1656 ALA 108 HB3 -0.0035 -0.0071 0.0033 1657 TRP 109 N -0.0098 -0.0103 -0.0035 1658 TRP 109 CA -0.0112 -0.0099 -0.0027 1659 TRP 109 C -0.0124 -0.0095 -0.0039 1660 TRP 109 O -0.0130 -0.0093 -0.0049 1661 TRP 109 CB -0.0120 -0.0097 -0.0016 1662 TRP 109 CG -0.0112 -0.0100 -0.0001 1663 TRP 109 CD1 -0.0113 -0.0100 0.0014 1664 TRP 109 CD2 -0.0102 -0.0103 0.0001 1665 TRP 109 NE1 -0.0105 -0.0103 0.0025 1666 TRP 109 CE2 -0.0098 -0.0105 0.0017 1667 TRP 109 CE3 -0.0097 -0.0104 -0.0010 1668 TRP 109 CZ2 -0.0088 -0.0108 0.0024 1669 TRP 109 CZ3 -0.0087 -0.0107 -0.0004 1670 TRP 109 CH2 -0.0083 -0.0109 0.0012 1671 TRP 109 H -0.0098 -0.0102 -0.0039 1672 TRP 109 HA -0.0108 -0.0100 -0.0019 1673 TRP 109 HB3 -0.0132 -0.0094 -0.0013 1674 TRP 109 HB2 -0.0123 -0.0096 -0.0024 1675 TRP 109 HD1 -0.0120 -0.0098 0.0016 1676 TRP 109 HE1 -0.0105 -0.0104 0.0037 1677 TRP 109 HE3 -0.0100 -0.0103 -0.0023 1678 TRP 109 HZ2 -0.0085 -0.0109 0.0036 1679 TRP 109 HZ3 -0.0083 -0.0108 -0.0013 1680 TRP 109 HH2 -0.0076 -0.0111 0.0017 1681 VAL 110 N -0.0180 -0.0097 -0.0142 1682 VAL 110 CA -0.0141 -0.0074 -0.0130 1683 VAL 110 C -0.0103 -0.0052 -0.0118 1684 VAL 110 O -0.0079 -0.0030 -0.0086 1685 VAL 110 CB -0.0123 -0.0077 -0.0166 1686 VAL 110 CG1 -0.0158 -0.0100 -0.0182 1687 VAL 110 CG2 -0.0087 -0.0073 -0.0205 1688 VAL 110 H -0.0191 -0.0113 -0.0175 1689 VAL 110 HA -0.0153 -0.0069 -0.0097 1690 VAL 110 HB -0.0104 -0.0061 -0.0145 1691 VAL 110 HG11 -0.0143 -0.0100 -0.0208 1692 VAL 110 HG12 -0.0177 -0.0098 -0.0151 1693 VAL 110 HG13 -0.0182 -0.0117 -0.0200 1694 VAL 110 HG21 -0.0076 -0.0075 -0.0230 1695 VAL 110 HG22 -0.0102 -0.0087 -0.0225 1696 VAL 110 HG23 -0.0059 -0.0054 -0.0189 1697 ALA 111 N -0.0116 -0.0114 -0.0092 1698 ALA 111 CA -0.0097 -0.0090 -0.0081 1699 ALA 111 C -0.0093 -0.0089 -0.0048 1700 ALA 111 O -0.0078 -0.0070 -0.0038 1701 ALA 111 CB -0.0092 -0.0082 -0.0086 1702 ALA 111 H -0.0123 -0.0122 -0.0102 1703 ALA 111 HA -0.0089 -0.0077 -0.0094 1704 ALA 111 HB1 -0.0077 -0.0064 -0.0078 1705 ALA 111 HB2 -0.0094 -0.0081 -0.0110 1706 ALA 111 HB3 -0.0100 -0.0095 -0.0074 1707 TRP 112 N -0.0128 -0.0042 -0.0044 1708 TRP 112 CA -0.0139 -0.0029 -0.0055 1709 TRP 112 C -0.0133 -0.0013 -0.0066 1710 TRP 112 O -0.0146 -0.0004 -0.0074 1711 TRP 112 CB -0.0138 -0.0027 -0.0056 1712 TRP 112 CG -0.0151 -0.0014 -0.0067 1713 TRP 112 CD1 -0.0171 -0.0015 -0.0067 1714 TRP 112 CD2 -0.0145 0.0003 -0.0079 1715 TRP 112 NE1 -0.0178 -0.0000 -0.0079 1716 TRP 112 CE2 -0.0162 0.0011 -0.0087 1717 TRP 112 CE3 -0.0127 0.0012 -0.0085 1718 TRP 112 CZ2 -0.0161 0.0027 -0.0099 1719 TRP 112 CZ3 -0.0126 0.0028 -0.0098 1720 TRP 112 CH2 -0.0143 0.0036 -0.0105 1721 TRP 112 H -0.0118 -0.0048 -0.0039 1722 TRP 112 HA -0.0155 -0.0031 -0.0054 1723 TRP 112 HB3 -0.0122 -0.0024 -0.0058 1724 TRP 112 HB2 -0.0142 -0.0038 -0.0048 1725 TRP 112 HD1 -0.0179 -0.0027 -0.0059 1726 TRP 112 HE1 -0.0192 0.0001 -0.0081 1727 TRP 112 HE3 -0.0114 0.0006 -0.0080 1728 TRP 112 HZ2 -0.0175 0.0033 -0.0104 1729 TRP 112 HZ3 -0.0112 0.0035 -0.0102 1730 TRP 112 HH2 -0.0142 0.0048 -0.0114 1731 ARG 113 N -0.0126 -0.0002 -0.0081 1732 ARG 113 CA -0.0113 0.0010 -0.0054 1733 ARG 113 C -0.0089 -0.0012 -0.0046 1734 ARG 113 O -0.0081 -0.0009 -0.0033 1735 ARG 113 CB -0.0109 0.0024 -0.0034 1736 ARG 113 CG -0.0132 0.0046 -0.0040 1737 ARG 113 CD -0.0126 0.0059 -0.0020 1738 ARG 113 NE -0.0143 0.0070 -0.0030 1739 ARG 113 CZ -0.0140 0.0077 -0.0020 1740 ARG 113 NH1 -0.0120 0.0074 0.0003 1741 ARG 113 NH2 -0.0158 0.0086 -0.0032 1742 ARG 113 H -0.0130 -0.0000 -0.0085 1743 ARG 113 HA -0.0123 0.0024 -0.0052 1744 ARG 113 HB3 -0.0100 0.0033 -0.0014 1745 ARG 113 HB2 -0.0097 0.0010 -0.0033 1746 ARG 113 HG3 -0.0141 0.0038 -0.0060 1747 ARG 113 HG2 -0.0143 0.0061 -0.0039 1748 ARG 113 HD3 -0.0125 0.0075 -0.0002 1749 ARG 113 HD2 -0.0109 0.0045 -0.0013 1750 ARG 113 HE -0.0159 0.0072 -0.0047 1751 ARG 113 HH12 -0.0118 0.0079 0.0011 1752 ARG 113 HH11 -0.0107 0.0067 0.0012 1753 ARG 113 HH22 -0.0156 0.0092 -0.0024 1754 ARG 113 HH21 -0.0173 0.0088 -0.0049 1755 ASN 114 N -0.0014 0.0004 -0.0032 1756 ASN 114 CA 0.0085 -0.0019 -0.0026 1757 ASN 114 C -0.0002 -0.0018 -0.0036 1758 ASN 114 O 0.0058 0.0039 -0.0014 1759 ASN 114 CB 0.0180 -0.0171 -0.0055 1760 ASN 114 CG 0.0278 -0.0194 -0.0049 1761 ASN 114 OD1 0.0301 -0.0101 -0.0022 1762 ASN 114 ND2 0.0332 -0.0341 -0.0082 1763 ASN 114 H -0.0033 -0.0084 -0.0057 1764 ASN 114 HA 0.0168 0.0073 0.0009 1765 ASN 114 HB3 0.0255 -0.0182 -0.0049 1766 ASN 114 HB2 0.0101 -0.0265 -0.0090 1767 ASN 114 HD22 0.0400 -0.0372 -0.0082 1768 ASN 114 HD21 0.0305 -0.0419 -0.0106 1769 ARG 115 N 0.0025 -0.0059 0.0009 1770 ARG 115 CA 0.0023 -0.0079 -0.0010 1771 ARG 115 C 0.0056 -0.0096 -0.0057 1772 ARG 115 O 0.0051 -0.0120 -0.0076 1773 ARG 115 CB 0.0032 -0.0046 0.0015 1774 ARG 115 CG -0.0001 -0.0030 0.0062 1775 ARG 115 CD -0.0041 -0.0060 0.0070 1776 ARG 115 NE -0.0070 -0.0040 0.0117 1777 ARG 115 CZ -0.0108 -0.0060 0.0133 1778 ARG 115 NH1 -0.0116 -0.0095 0.0106 1779 ARG 115 NH2 -0.0136 -0.0045 0.0174 1780 ARG 115 H 0.0050 -0.0029 0.0014 1781 ARG 115 HA -0.0010 -0.0106 -0.0005 1782 ARG 115 HB3 0.0032 -0.0060 0.0001 1783 ARG 115 HB2 0.0065 -0.0019 0.0011 1784 ARG 115 HG3 0.0014 0.0002 0.0079 1785 ARG 115 HG2 -0.0011 -0.0027 0.0074 1786 ARG 115 HD3 -0.0059 -0.0091 0.0056 1787 ARG 115 HD2 -0.0032 -0.0063 0.0058 1788 ARG 115 HE -0.0061 -0.0011 0.0137 1789 ARG 115 HH12 -0.0144 -0.0111 0.0116 1790 ARG 115 HH11 -0.0093 -0.0105 0.0075 1791 ARG 115 HH22 -0.0165 -0.0060 0.0186 1792 ARG 115 HH21 -0.0128 -0.0018 0.0194 1793 CYS 116 N -0.0002 0.0010 -0.0025 1794 CYS 116 CA 0.0003 0.0006 -0.0019 1795 CYS 116 C 0.0005 -0.0001 -0.0025 1796 CYS 116 O 0.0006 -0.0001 -0.0023 1797 CYS 116 CB 0.0009 0.0002 -0.0011 1798 CYS 116 SG 0.0008 0.0010 -0.0002 1799 CYS 116 H -0.0001 0.0005 -0.0029 1800 CYS 116 HA 0.0001 0.0012 -0.0015 1801 CYS 116 HB3 0.0012 -0.0000 -0.0006 1802 CYS 116 HB2 0.0012 -0.0005 -0.0014 1803 GLN 117 N -0.0080 0.0048 -0.0094 1804 GLN 117 CA -0.0090 0.0057 -0.0072 1805 GLN 117 C -0.0073 0.0051 -0.0052 1806 GLN 117 O -0.0055 0.0043 -0.0047 1807 GLN 117 CB -0.0103 0.0066 -0.0061 1808 GLN 117 CG -0.0114 0.0076 -0.0037 1809 GLN 117 CD -0.0130 0.0086 -0.0030 1810 GLN 117 OE1 -0.0147 0.0097 -0.0017 1811 GLN 117 NE2 -0.0127 0.0083 -0.0036 1812 GLN 117 H -0.0082 0.0048 -0.0100 1813 GLN 117 HA -0.0102 0.0063 -0.0077 1814 GLN 117 HB3 -0.0091 0.0060 -0.0057 1815 GLN 117 HB2 -0.0115 0.0070 -0.0075 1816 GLN 117 HG3 -0.0123 0.0081 -0.0040 1817 GLN 117 HG2 -0.0101 0.0072 -0.0022 1818 GLN 117 HE22 -0.0138 0.0090 -0.0031 1819 GLN 117 HE21 -0.0114 0.0075 -0.0046 1820 ASN 118 N -0.0030 0.0008 -0.0042 1821 ASN 118 CA -0.0002 -0.0065 0.0010 1822 ASN 118 C 0.0065 -0.0111 -0.0015 1823 ASN 118 O 0.0083 -0.0169 0.0031 1824 ASN 118 CB -0.0055 -0.0082 0.0089 1825 ASN 118 CG -0.0121 -0.0043 0.0120 1826 ASN 118 OD1 -0.0118 -0.0039 0.0113 1827 ASN 118 ND2 -0.0181 -0.0013 0.0155 1828 ASN 118 H -0.0038 0.0036 -0.0066 1829 ASN 118 HA 0.0010 -0.0079 0.0012 1830 ASN 118 HB3 -0.0030 -0.0138 0.0125 1831 ASN 118 HB2 -0.0068 -0.0069 0.0090 1832 ASN 118 HD22 -0.0226 0.0014 0.0177 1833 ASN 118 HD21 -0.0181 -0.0017 0.0159 1834 ARG 119 N 0.0049 0.0072 -0.0045 1835 ARG 119 CA 0.0056 -0.0005 -0.0071 1836 ARG 119 C 0.0028 -0.0007 -0.0152 1837 ARG 119 O 0.0005 0.0044 -0.0187 1838 ARG 119 CB 0.0068 -0.0050 -0.0066 1839 ARG 119 CG 0.0098 -0.0068 0.0007 1840 ARG 119 CD 0.0110 -0.0125 0.0005 1841 ARG 119 NE 0.0134 -0.0120 0.0075 1842 ARG 119 CZ 0.0159 -0.0179 0.0110 1843 ARG 119 NH1 0.0166 -0.0242 0.0093 1844 ARG 119 NH2 0.0177 -0.0171 0.0166 1845 ARG 119 H 0.0034 0.0102 -0.0071 1846 ARG 119 HA 0.0072 -0.0030 -0.0043 1847 ARG 119 HB3 0.0067 -0.0101 -0.0100 1848 ARG 119 HB2 0.0053 -0.0021 -0.0090 1849 ARG 119 HG3 0.0098 -0.0018 0.0037 1850 ARG 119 HG2 0.0112 -0.0090 0.0034 1851 ARG 119 HD3 0.0118 -0.0180 -0.0006 1852 ARG 119 HD2 0.0092 -0.0112 -0.0036 1853 ARG 119 HE 0.0130 -0.0070 0.0096 1854 ARG 119 HH12 0.0186 -0.0287 0.0120 1855 ARG 119 HH11 0.0152 -0.0247 0.0051 1856 ARG 119 HH22 0.0197 -0.0215 0.0195 1857 ARG 119 HH21 0.0171 -0.0121 0.0181 1858 ASP 120 N 0.0174 0.0158 -0.0022 1859 ASP 120 CA 0.0082 0.0139 -0.0128 1860 ASP 120 C 0.0098 0.0100 0.0153 1861 ASP 120 O -0.0056 0.0006 0.0358 1862 ASP 120 CB -0.0240 0.0030 -0.0231 1863 ASP 120 CG -0.0351 0.0013 -0.0396 1864 ASP 120 OD1 -0.0201 0.0066 -0.0362 1865 ASP 120 OD2 -0.0589 -0.0059 -0.0526 1866 ASP 120 H 0.0029 0.0096 0.0008 1867 ASP 120 HA 0.0209 0.0218 -0.0308 1868 ASP 120 HB3 -0.0363 -0.0050 -0.0034 1869 ASP 120 HB2 -0.0263 0.0045 -0.0381 1870 VAL 121 N 0.0089 0.0074 0.0044 1871 VAL 121 CA 0.0085 0.0049 0.0063 1872 VAL 121 C 0.0054 0.0042 0.0058 1873 VAL 121 O 0.0049 0.0023 0.0071 1874 VAL 121 CB 0.0115 0.0048 0.0073 1875 VAL 121 CG1 0.0145 0.0049 0.0084 1876 VAL 121 CG2 0.0120 0.0070 0.0058 1877 VAL 121 H 0.0092 0.0091 0.0031 1878 VAL 121 HA 0.0085 0.0033 0.0075 1879 VAL 121 HB 0.0110 0.0029 0.0087 1880 VAL 121 HG11 0.0166 0.0048 0.0091 1881 VAL 121 HG12 0.0141 0.0031 0.0097 1882 VAL 121 HG13 0.0151 0.0067 0.0071 1883 VAL 121 HG21 0.0141 0.0069 0.0066 1884 VAL 121 HG22 0.0124 0.0089 0.0043 1885 VAL 121 HG23 0.0099 0.0067 0.0052 1886 ARG 122 N 0.0066 0.0295 0.0583 1887 ARG 122 CA -0.0190 0.0132 -0.0126 1888 ARG 122 C -0.0071 -0.0551 -0.0453 1889 ARG 122 O -0.0304 -0.0665 -0.1067 1890 ARG 122 CB -0.0246 0.0199 -0.0191 1891 ARG 122 CG -0.0033 -0.0475 -0.0305 1892 ARG 122 CD -0.0237 -0.0436 -0.0722 1893 ARG 122 NE -0.0152 -0.0159 -0.0294 1894 ARG 122 CZ -0.0100 0.0320 0.0236 1895 ARG 122 NH1 -0.0365 0.0900 0.0154 1896 ARG 122 NH2 0.0210 0.0212 0.0828 1897 ARG 122 H 0.0189 0.0393 0.0938 1898 ARG 122 HA -0.0459 0.0517 -0.0385 1899 ARG 122 HB3 -0.0168 0.0513 0.0254 1900 ARG 122 HB2 -0.0542 0.0484 -0.0596 1901 ARG 122 HG3 0.0008 -0.0870 -0.0556 1902 ARG 122 HG2 0.0241 -0.0622 0.0174 1903 ARG 122 HD3 -0.0536 -0.0109 -0.1099 1904 ARG 122 HD2 -0.0151 -0.0944 -0.0973 1905 ARG 122 HE -0.0134 -0.0340 -0.0410 1906 ARG 122 HH12 -0.0330 0.1267 0.0550 1907 ARG 122 HH11 -0.0602 0.0974 -0.0304 1908 ARG 122 HH22 0.0250 0.0572 0.1230 1909 ARG 122 HH21 0.0409 -0.0233 0.0882 1910 GLN 123 N -0.0146 -0.0057 -0.0120 1911 GLN 123 CA -0.0179 -0.0124 -0.0099 1912 GLN 123 C -0.0168 -0.0117 -0.0079 1913 GLN 123 O -0.0198 -0.0159 -0.0092 1914 GLN 123 CB -0.0185 -0.0173 -0.0031 1915 GLN 123 CG -0.0143 -0.0151 0.0048 1916 GLN 123 CD -0.0145 -0.0190 0.0112 1917 GLN 123 OE1 -0.0113 -0.0158 0.0147 1918 GLN 123 NE2 -0.0180 -0.0259 0.0132 1919 GLN 123 H -0.0130 -0.0049 -0.0091 1920 GLN 123 HA -0.0214 -0.0151 -0.0149 1921 GLN 123 HB3 -0.0190 -0.0174 -0.0044 1922 GLN 123 HB2 -0.0217 -0.0227 -0.0028 1923 GLN 123 HG3 -0.0142 -0.0159 0.0066 1924 GLN 123 HG2 -0.0110 -0.0095 0.0043 1925 GLN 123 HE22 -0.0183 -0.0287 0.0174 1926 GLN 123 HE21 -0.0204 -0.0283 0.0106 1927 TYR 124 N -0.0018 -0.0029 0.0056 1928 TYR 124 CA -0.0009 -0.0036 0.0077 1929 TYR 124 C -0.0029 -0.0029 0.0040 1930 TYR 124 O -0.0035 -0.0049 0.0053 1931 TYR 124 CB 0.0036 -0.0006 0.0113 1932 TYR 124 CG 0.0055 -0.0018 0.0154 1933 TYR 124 CD1 0.0052 -0.0061 0.0194 1934 TYR 124 CD2 0.0077 0.0013 0.0154 1935 TYR 124 CE1 0.0070 -0.0071 0.0232 1936 TYR 124 CE2 0.0095 0.0002 0.0192 1937 TYR 124 CZ 0.0091 -0.0041 0.0230 1938 TYR 124 OH 0.0108 -0.0052 0.0268 1939 TYR 124 H 0.0003 -0.0001 0.0059 1940 TYR 124 HA -0.0020 -0.0074 0.0100 1941 TYR 124 HB3 0.0041 -0.0014 0.0128 1942 TYR 124 HB2 0.0049 0.0033 0.0092 1943 TYR 124 HD1 0.0035 -0.0086 0.0195 1944 TYR 124 HD2 0.0081 0.0046 0.0124 1945 TYR 124 HE1 0.0068 -0.0104 0.0264 1946 TYR 124 HE2 0.0112 0.0027 0.0190 1947 TYR 124 HH 0.0120 -0.0028 0.0261 1948 VAL 125 N -0.0090 -0.0127 0.0038 1949 VAL 125 CA -0.0081 -0.0122 0.0026 1950 VAL 125 C -0.0106 -0.0134 0.0003 1951 VAL 125 O -0.0103 -0.0132 -0.0010 1952 VAL 125 CB -0.0050 -0.0104 0.0006 1953 VAL 125 CG1 -0.0022 -0.0090 0.0031 1954 VAL 125 CG2 -0.0052 -0.0104 -0.0027 1955 VAL 125 H -0.0092 -0.0127 0.0020 1956 VAL 125 HA -0.0078 -0.0121 0.0050 1957 VAL 125 HB -0.0045 -0.0101 -0.0004 1958 VAL 125 HG11 0.0000 -0.0078 0.0016 1959 VAL 125 HG12 -0.0020 -0.0091 0.0053 1960 VAL 125 HG13 -0.0026 -0.0093 0.0041 1961 VAL 125 HG21 -0.0029 -0.0091 -0.0041 1962 VAL 125 HG22 -0.0057 -0.0107 -0.0018 1963 VAL 125 HG23 -0.0071 -0.0113 -0.0045 1964 GLN 126 N -0.0356 -0.0360 -0.0008 1965 GLN 126 CA -0.0148 -0.0157 0.0311 1966 GLN 126 C -0.0017 -0.0005 0.0302 1967 GLN 126 O 0.0047 0.0107 -0.0012 1968 GLN 126 CB 0.0051 0.0074 0.0294 1969 GLN 126 CG 0.0214 0.0306 -0.0057 1970 GLN 126 CD 0.0493 0.0615 0.0055 1971 GLN 126 OE1 0.0573 0.0724 -0.0085 1972 GLN 126 NE2 0.0638 0.0751 0.0309 1973 GLN 126 H -0.0349 -0.0326 -0.0214 1974 GLN 126 HA -0.0234 -0.0292 0.0591 1975 GLN 126 HB3 -0.0052 -0.0044 0.0286 1976 GLN 126 HB2 0.0179 0.0189 0.0568 1977 GLN 126 HG3 0.0217 0.0322 -0.0161 1978 GLN 126 HG2 0.0126 0.0233 -0.0299 1979 GLN 126 HE22 0.0824 0.0956 0.0394 1980 GLN 126 HE21 0.0561 0.0649 0.0417 1981 GLY 127 N 0.0009 -0.0087 0.0161 1982 GLY 127 CA 0.0048 -0.0059 0.0147 1983 GLY 127 C -0.0057 -0.0157 0.0066 1984 GLY 127 O -0.0032 -0.0142 0.0035 1985 GLY 127 H -0.0034 -0.0100 0.0285 1986 GLY 127 HA3 0.0154 0.0012 0.0070 1987 GLY 127 HA2 0.0067 -0.0021 0.0281 1988 CYS 128 N -0.0055 -0.0146 0.0018 1989 CYS 128 CA -0.0048 -0.0120 0.0019 1990 CYS 128 C -0.0021 -0.0120 0.0014 1991 CYS 128 O -0.0012 -0.0097 0.0014 1992 CYS 128 CB -0.0070 -0.0110 0.0025 1993 CYS 128 SG -0.0103 -0.0105 0.0032 1994 CYS 128 H -0.0067 -0.0160 0.0019 1995 CYS 128 HA -0.0046 -0.0105 0.0020 1996 CYS 128 HB3 -0.0064 -0.0091 0.0025 1997 CYS 128 HB2 -0.0073 -0.0125 0.0024 1998 GLY 129 N 0.0097 -0.0216 -0.0021 1999 GLY 129 CA 0.0274 -0.0250 -0.0014 2000 GLY 129 C 0.0266 -0.0302 -0.0022 2001 GLY 129 O 0.0395 -0.0270 -0.0009 2002 GLY 129 H 0.0041 -0.0315 -0.0039 2003 GLY 129 HA3 0.0359 -0.0131 0.0009 2004 GLY 129 HA2 0.0345 -0.0356 -0.0025 2005 VAL 130 N 0.0114 -0.0178 -0.0043 2006 VAL 130 CA 0.0097 -0.0161 -0.0035 2007 VAL 130 C 0.0088 -0.0218 -0.0031 2008 VAL 130 O 0.0072 -0.0209 -0.0023 2009 VAL 130 CB 0.0041 -0.0121 -0.0009 2010 VAL 130 CG1 0.0049 -0.0058 -0.0013 2011 VAL 130 CG2 -0.0008 -0.0160 0.0015 2012 VAL 130 OXT 0.0095 -0.0264 -0.0034 2013 VAL 130 H 0.0085 -0.0202 -0.0030 2014 VAL 130 HA 0.0131 -0.0132 -0.0052 2015 VAL 130 HB 0.0030 -0.0113 -0.0004 2016 VAL 130 HG11 0.0009 -0.0031 0.0006 2017 VAL 130 HG12 0.0083 -0.0031 -0.0029 2018 VAL 130 HG13 0.0062 -0.0064 -0.0019 2019 VAL 130 HG21 -0.0048 -0.0131 0.0033 2020 VAL 130 HG22 0.0002 -0.0171 0.0010 2021 VAL 130 HG23 -0.0015 -0.0204 0.0018