1 ILE 1 N 0.0154 -0.0157 0.0206 2 ILE 1 CA 0.0171 -0.0130 0.0221 3 ILE 1 C 0.0173 -0.0152 0.0242 4 ILE 1 O 0.0158 -0.0175 0.0228 5 ILE 1 CB 0.0165 -0.0104 0.0191 6 ILE 1 CG1 0.0165 -0.0080 0.0173 7 ILE 1 CG2 0.0180 -0.0081 0.0204 8 ILE 1 CD1 0.0155 -0.0059 0.0138 9 PRO 2 N 0.0195 -0.0167 0.0263 10 PRO 2 CA 0.0205 -0.0181 0.0281 11 PRO 2 C 0.0200 -0.0164 0.0269 12 PRO 2 O 0.0202 -0.0131 0.0260 13 PRO 2 CB 0.0232 -0.0174 0.0313 14 PRO 2 CG 0.0237 -0.0142 0.0309 15 PRO 2 CD 0.0213 -0.0147 0.0280 16 ASP 3 N 0.0190 -0.0191 0.0284 17 ASP 3 CA 0.0180 -0.0169 0.0263 18 ASP 3 C 0.0211 -0.0143 0.0271 19 ASP 3 O 0.0228 -0.0154 0.0290 20 ASP 3 CB 0.0154 -0.0193 0.0258 21 ASP 3 CG 0.0128 -0.0175 0.0227 22 ASP 3 OD1 0.0132 -0.0143 0.0210 23 ASP 3 OD2 0.0102 -0.0195 0.0220 24 SER 4 N 0.0211 -0.0114 0.0242 25 SER 4 CA 0.0236 -0.0088 0.0257 26 SER 4 C 0.0243 -0.0079 0.0260 27 SER 4 O 0.0260 -0.0051 0.0264 28 SER 4 CB 0.0237 -0.0055 0.0242 29 SER 4 OG 0.0212 -0.0047 0.0213 30 GLY 5 N 0.0236 -0.0100 0.0276 31 GLY 5 CA 0.0245 -0.0100 0.0287 32 GLY 5 C 0.0236 -0.0072 0.0264 33 GLY 5 O 0.0244 -0.0067 0.0270 34 VAL 6 N 0.0213 -0.0062 0.0223 35 VAL 6 CA 0.0202 -0.0036 0.0194 36 VAL 6 C 0.0171 -0.0055 0.0179 37 VAL 6 O 0.0147 -0.0074 0.0171 38 VAL 6 CB 0.0197 -0.0014 0.0173 39 VAL 6 CG1 0.0186 0.0014 0.0143 40 VAL 6 CG2 0.0228 0.0004 0.0189 41 SER 7 N 0.0195 -0.0038 0.0196 42 SER 7 CA 0.0155 -0.0060 0.0173 43 SER 7 C 0.0103 -0.0034 0.0122 44 SER 7 O 0.0101 0.0020 0.0098 45 SER 7 CB 0.0181 -0.0042 0.0186 46 SER 7 OG 0.0144 -0.0068 0.0168 47 THR 8 N 0.0048 -0.0064 0.0112 48 THR 8 CA 0.0010 -0.0057 0.0063 49 THR 8 C -0.0042 -0.0079 0.0040 50 THR 8 O -0.0086 -0.0118 0.0048 51 THR 8 CB -0.0006 -0.0077 0.0074 52 THR 8 OG1 -0.0016 -0.0123 0.0126 53 THR 8 CG2 0.0042 -0.0044 0.0080 54 GLY 9 N -0.0036 -0.0043 0.0004 55 GLY 9 CA -0.0088 -0.0050 -0.0031 56 GLY 9 C -0.0143 -0.0058 -0.0066 57 GLY 9 O -0.0137 -0.0026 -0.0098 58 THR 10 N -0.0190 -0.0104 -0.0065 59 THR 10 CA -0.0282 -0.0129 -0.0089 60 THR 10 C -0.0333 -0.0059 -0.0146 61 THR 10 O -0.0383 -0.0055 -0.0168 62 THR 10 CB -0.0325 -0.0204 -0.0069 63 THR 10 OG1 -0.0285 -0.0205 -0.0052 64 THR 10 CG2 -0.0313 -0.0285 -0.0023 65 LYS 11 N -0.0292 -0.0005 -0.0176 66 LYS 11 CA -0.0335 0.0047 -0.0220 67 LYS 11 C -0.0418 0.0022 -0.0209 68 LYS 11 O -0.0425 -0.0025 -0.0174 69 LYS 11 CB -0.0286 0.0083 -0.0241 70 LYS 11 CG -0.0214 0.0127 -0.0268 71 LYS 11 CD -0.0166 0.0165 -0.0291 72 LYS 11 CE -0.0095 0.0211 -0.0318 73 LYS 11 NZ -0.0044 0.0237 -0.0333 74 ASP 12 N -0.0598 0.0062 -0.0341 75 ASP 12 CA -0.0741 0.0054 -0.0297 76 ASP 12 C -0.0620 0.0056 -0.0323 77 ASP 12 O -0.0559 0.0117 -0.0489 78 ASP 12 CB -0.0941 0.0119 -0.0430 79 ASP 12 CG -0.1115 0.0111 -0.0381 80 ASP 12 OD1 -0.1102 0.0047 -0.0221 81 ASP 12 OD2 -0.1260 0.0170 -0.0507 82 LEU 13 N -0.0515 -0.0020 -0.0175 83 LEU 13 CA -0.0448 -0.0018 -0.0178 84 LEU 13 C -0.0504 -0.0017 -0.0185 85 LEU 13 O -0.0460 -0.0016 -0.0188 86 LEU 13 CB -0.0379 -0.0039 -0.0089 87 LEU 13 CG -0.0298 -0.0038 -0.0089 88 LEU 13 CD1 -0.0242 -0.0061 0.0006 89 LEU 13 CD2 -0.0225 -0.0017 -0.0171 90 SER 14 N -0.0732 0.0017 -0.0211 91 SER 14 CA -0.0890 0.0035 -0.0174 92 SER 14 C -0.0869 0.0082 -0.0324 93 SER 14 O -0.0996 0.0099 -0.0301 94 SER 14 CB -0.1139 0.0078 -0.0155 95 SER 14 OG -0.1224 0.0162 -0.0357 96 LYS 15 N -0.0772 0.0104 -0.0378 97 LYS 15 CA -0.0734 0.0121 -0.0521 98 LYS 15 C -0.0510 0.0017 -0.0515 99 LYS 15 O -0.0437 0.0021 -0.0669 100 LYS 15 CB -0.0766 0.0197 -0.0773 101 LYS 15 CG -0.0999 0.0309 -0.0795 102 LYS 15 CD -0.1050 0.0393 -0.1045 103 LYS 15 CE -0.1284 0.0504 -0.1059 104 LYS 15 NZ -0.1329 0.0584 -0.1303 105 ARG 16 N -0.0371 -0.0042 -0.0337 106 ARG 16 CA -0.0285 -0.0016 -0.0346 107 ARG 16 C -0.0262 -0.0008 -0.0340 108 ARG 16 O -0.0252 -0.0002 -0.0274 109 ARG 16 CB -0.0239 0.0002 -0.0284 110 ARG 16 CG -0.0216 0.0007 -0.0323 111 ARG 16 CD -0.0167 0.0025 -0.0264 112 ARG 16 NE -0.0141 0.0031 -0.0312 113 ARG 16 CZ -0.0094 0.0047 -0.0277 114 ARG 16 NH1 -0.0074 0.0057 -0.0198 115 ARG 16 NH2 -0.0064 0.0054 -0.0319 116 ASP 17 N -0.0287 -0.0004 -0.0381 117 ASP 17 CA -0.0263 -0.0008 -0.0350 118 ASP 17 C -0.0155 -0.0019 -0.0316 119 ASP 17 O -0.0129 -0.0023 -0.0257 120 ASP 17 CB -0.0285 -0.0002 -0.0436 121 ASP 17 CG -0.0396 0.0008 -0.0455 122 ASP 17 OD1 -0.0453 0.0010 -0.0381 123 ASP 17 OD2 -0.0426 0.0014 -0.0543 124 ASP 18 N -0.0146 -0.0023 -0.0331 125 ASP 18 CA -0.0063 -0.0006 -0.0316 126 ASP 18 C -0.0044 0.0005 -0.0233 127 ASP 18 O -0.0054 0.0005 -0.0214 128 ASP 18 CB -0.0018 -0.0003 -0.0377 129 ASP 18 CG -0.0022 -0.0011 -0.0461 130 ASP 18 OD1 -0.0012 -0.0010 -0.0468 131 ASP 18 OD2 -0.0032 -0.0018 -0.0518 132 ALA 19 N -0.0013 0.0006 -0.0138 133 ALA 19 CA 0.0004 0.0015 -0.0096 134 ALA 19 C 0.0045 0.0025 -0.0098 135 ALA 19 O 0.0074 0.0030 -0.0124 136 ALA 19 CB 0.0013 0.0019 -0.0071 137 TYR 20 N 0.0037 0.0038 -0.0056 138 TYR 20 CA 0.0074 0.0035 -0.0060 139 TYR 20 C 0.0099 0.0031 -0.0031 140 TYR 20 O 0.0092 0.0029 0.0002 141 TYR 20 CB 0.0076 0.0035 -0.0055 142 TYR 20 CG 0.0062 0.0038 -0.0087 143 TYR 20 CD1 0.0086 0.0039 -0.0112 144 TYR 20 CD2 0.0024 0.0042 -0.0093 145 TYR 20 CE1 0.0073 0.0042 -0.0142 146 TYR 20 CE2 0.0011 0.0045 -0.0123 147 TYR 20 CZ 0.0036 0.0046 -0.0148 148 TYR 20 OH 0.0024 0.0049 -0.0179 149 ILE 21 N 0.0098 -0.0000 -0.0011 150 ILE 21 CA 0.0116 0.0002 0.0003 151 ILE 21 C 0.0128 0.0001 0.0003 152 ILE 21 O 0.0132 -0.0004 -0.0013 153 ILE 21 CB 0.0130 -0.0001 -0.0002 154 ILE 21 CG1 0.0117 0.0000 -0.0004 155 ILE 21 CG2 0.0148 0.0002 0.0014 156 ILE 21 CD1 0.0128 -0.0004 -0.0012 157 PHE 22 N 0.0130 0.0015 0.0039 158 PHE 22 CA 0.0140 0.0008 0.0037 159 PHE 22 C 0.0151 0.0003 0.0050 160 PHE 22 O 0.0148 0.0007 0.0064 161 PHE 22 CB 0.0134 0.0012 0.0037 162 PHE 22 CG 0.0123 0.0017 0.0024 163 PHE 22 CD1 0.0126 0.0013 0.0008 164 PHE 22 CD2 0.0109 0.0026 0.0027 165 PHE 22 CE1 0.0116 0.0018 -0.0004 166 PHE 22 CE2 0.0099 0.0030 0.0015 167 PHE 22 CZ 0.0102 0.0026 -0.0001 168 ASP 23 N 0.0138 -0.0014 0.0065 169 ASP 23 CA 0.0154 -0.0006 0.0073 170 ASP 23 C 0.0150 0.0002 0.0083 171 ASP 23 O 0.0143 -0.0002 0.0079 172 ASP 23 CB 0.0172 -0.0013 0.0063 173 ASP 23 CG 0.0177 -0.0020 0.0054 174 ASP 23 OD1 0.0177 -0.0016 0.0059 175 ASP 23 OD2 0.0183 -0.0031 0.0041 176 VAL 24 N 0.0132 0.0006 0.0111 177 VAL 24 CA 0.0129 0.0006 0.0103 178 VAL 24 C 0.0129 0.0000 0.0106 179 VAL 24 O 0.0132 0.0002 0.0112 180 VAL 24 CB 0.0129 0.0016 0.0100 181 VAL 24 CG1 0.0125 0.0016 0.0092 182 VAL 24 CG2 0.0130 0.0023 0.0098 183 THR 25 N 0.0095 -0.0010 0.0132 184 THR 25 CA 0.0080 -0.0019 0.0128 185 THR 25 C 0.0066 -0.0016 0.0105 186 THR 25 O 0.0057 -0.0019 0.0097 187 THR 25 CB 0.0067 -0.0036 0.0145 188 THR 25 OG1 0.0079 -0.0039 0.0167 189 THR 25 CG2 0.0051 -0.0045 0.0141 190 PHE 26 N 0.0047 -0.0030 0.0113 191 PHE 26 CA 0.0034 -0.0029 0.0088 192 PHE 26 C 0.0011 -0.0041 0.0087 193 PHE 26 O 0.0011 -0.0046 0.0098 194 PHE 26 CB 0.0046 -0.0015 0.0069 195 PHE 26 CG 0.0066 -0.0001 0.0062 196 PHE 26 CD1 0.0063 0.0005 0.0039 197 PHE 26 CD2 0.0087 0.0005 0.0078 198 PHE 26 CE1 0.0082 0.0019 0.0031 199 PHE 26 CE2 0.0106 0.0019 0.0071 200 PHE 26 CZ 0.0103 0.0026 0.0047 201 ARG 27 N -0.0050 -0.0062 0.0073 202 ARG 27 CA -0.0081 -0.0072 0.0064 203 ARG 27 C -0.0093 -0.0060 0.0025 204 ARG 27 O -0.0100 -0.0056 0.0011 205 ARG 27 CB -0.0111 -0.0095 0.0083 206 ARG 27 CG -0.0103 -0.0110 0.0122 207 ARG 27 CD -0.0133 -0.0133 0.0139 208 ARG 27 NE -0.0123 -0.0146 0.0178 209 ARG 27 CZ -0.0146 -0.0166 0.0197 210 ARG 27 NH1 -0.0179 -0.0175 0.0184 211 ARG 27 NH2 -0.0135 -0.0177 0.0231 212 VAL 28 N -0.0120 -0.0061 0.0028 213 VAL 28 CA -0.0126 -0.0047 -0.0018 214 VAL 28 C -0.0159 -0.0054 -0.0037 215 VAL 28 O -0.0153 -0.0054 -0.0030 216 VAL 28 CB -0.0085 -0.0023 -0.0037 217 VAL 28 CG1 -0.0092 -0.0009 -0.0084 218 VAL 28 CG2 -0.0047 -0.0015 -0.0014 219 GLY 29 N -0.0213 -0.0060 -0.0060 220 GLY 29 CA -0.0261 -0.0065 -0.0091 221 GLY 29 C -0.0320 -0.0080 -0.0099 222 GLY 29 O -0.0320 -0.0084 -0.0087 223 PRO 30 N -0.0378 -0.0089 -0.0111 224 PRO 30 CA -0.0440 -0.0104 -0.0122 225 PRO 30 C -0.0463 -0.0135 -0.0073 226 PRO 30 O -0.0450 -0.0153 -0.0023 227 PRO 30 CB -0.0479 -0.0109 -0.0139 228 PRO 30 CG -0.0435 -0.0087 -0.0157 229 PRO 30 CD -0.0376 -0.0085 -0.0118 230 ALA 31 N -0.0509 -0.0140 -0.0079 231 ALA 31 CA -0.0544 -0.0165 -0.0020 232 ALA 31 C -0.0601 -0.0188 0.0012 233 ALA 31 O -0.0651 -0.0188 -0.0024 234 ALA 31 CB -0.0580 -0.0166 -0.0044 235 GLY 32 N -0.0609 -0.0210 0.0107 236 GLY 32 CA -0.0670 -0.0223 0.0149 237 GLY 32 C -0.0616 -0.0208 0.0105 238 GLY 32 O -0.0659 -0.0219 0.0138 239 ALA 33 N -0.0512 -0.0196 0.0035 240 ALA 33 CA -0.0468 -0.0188 0.0025 241 ALA 33 C -0.0419 -0.0220 0.0068 242 ALA 33 O -0.0389 -0.0233 0.0085 243 ALA 33 CB -0.0433 -0.0150 -0.0026 244 ASN 34 N -0.0398 -0.0262 0.0069 245 ASN 34 CA -0.0353 -0.0280 0.0113 246 ASN 34 C -0.0294 -0.0245 0.0105 247 ASN 34 O -0.0266 -0.0242 0.0115 248 ASN 34 CB -0.0363 -0.0318 0.0150 249 ASN 34 CG -0.0325 -0.0345 0.0200 250 ASN 34 OD1 -0.0303 -0.0344 0.0211 251 ASN 34 ND2 -0.0318 -0.0371 0.0233 252 VAL 35 N -0.0252 -0.0210 0.0085 253 VAL 35 CA -0.0210 -0.0177 0.0081 254 VAL 35 C -0.0174 -0.0179 0.0123 255 VAL 35 O -0.0174 -0.0189 0.0139 256 VAL 35 CB -0.0202 -0.0145 0.0040 257 VAL 35 CG1 -0.0160 -0.0111 0.0033 258 VAL 35 CG2 -0.0241 -0.0146 -0.0003 259 ALA 36 N -0.0144 -0.0171 0.0132 260 ALA 36 CA -0.0107 -0.0164 0.0174 261 ALA 36 C -0.0078 -0.0135 0.0162 262 ALA 36 O -0.0066 -0.0107 0.0124 263 ALA 36 CB -0.0081 -0.0153 0.0191 264 PRO 37 N -0.0065 -0.0125 0.0160 265 PRO 37 CA -0.0035 -0.0104 0.0151 266 PRO 37 C 0.0007 -0.0081 0.0157 267 PRO 37 O 0.0017 -0.0084 0.0187 268 PRO 37 CB -0.0037 -0.0117 0.0187 269 PRO 37 CG -0.0053 -0.0138 0.0225 270 PRO 37 CD -0.0081 -0.0148 0.0201 271 PHE 38 N 0.0032 -0.0060 0.0132 272 PHE 38 CA 0.0063 -0.0038 0.0137 273 PHE 38 C 0.0082 -0.0031 0.0152 274 PHE 38 O 0.0075 -0.0030 0.0139 275 PHE 38 CB 0.0071 -0.0016 0.0102 276 PHE 38 CG 0.0054 -0.0021 0.0085 277 PHE 38 CD1 0.0065 -0.0017 0.0095 278 PHE 38 CD2 0.0027 -0.0029 0.0058 279 PHE 38 CE1 0.0050 -0.0021 0.0079 280 PHE 38 CE2 0.0012 -0.0033 0.0042 281 PHE 38 CZ 0.0023 -0.0029 0.0052 282 SER 39 N 0.0117 -0.0035 0.0138 283 SER 39 CA 0.0125 -0.0040 0.0149 284 SER 39 C 0.0148 -0.0025 0.0152 285 SER 39 O 0.0162 -0.0016 0.0153 286 SER 39 CB 0.0123 -0.0060 0.0169 287 SER 39 OG 0.0134 -0.0064 0.0180 288 GLY 40 N 0.0161 -0.0014 0.0127 289 GLY 40 CA 0.0166 -0.0001 0.0132 290 GLY 40 C 0.0166 0.0004 0.0129 291 GLY 40 O 0.0162 -0.0002 0.0121 292 SER 41 N 0.0174 0.0006 0.0107 293 SER 41 CA 0.0168 0.0003 0.0098 294 SER 41 C 0.0157 0.0014 0.0098 295 SER 41 O 0.0157 0.0022 0.0106 296 SER 41 CB 0.0173 -0.0002 0.0098 297 SER 41 OG 0.0185 -0.0011 0.0100 298 VAL 42 N 0.0148 0.0015 0.0081 299 VAL 42 CA 0.0131 0.0022 0.0083 300 VAL 42 C 0.0121 0.0022 0.0070 301 VAL 42 O 0.0123 0.0017 0.0056 302 VAL 42 CB 0.0128 0.0022 0.0080 303 VAL 42 CG1 0.0111 0.0029 0.0081 304 VAL 42 CG2 0.0138 0.0022 0.0093 305 TYR 43 N 0.0105 0.0023 0.0066 306 TYR 43 CA 0.0089 0.0021 0.0048 307 TYR 43 C 0.0064 0.0028 0.0048 308 TYR 43 O 0.0052 0.0036 0.0066 309 TYR 43 CB 0.0087 0.0024 0.0054 310 TYR 43 CG 0.0111 0.0018 0.0053 311 TYR 43 CD1 0.0114 0.0011 0.0034 312 TYR 43 CD2 0.0129 0.0018 0.0072 313 TYR 43 CE1 0.0137 0.0005 0.0034 314 TYR 43 CE2 0.0152 0.0012 0.0071 315 TYR 43 CZ 0.0155 0.0006 0.0052 316 TYR 43 OH 0.0177 0.0000 0.0052 317 VAL 44 N 0.0050 0.0020 0.0040 318 VAL 44 CA 0.0026 0.0019 0.0044 319 VAL 44 C 0.0001 0.0019 0.0020 320 VAL 44 O 0.0005 0.0019 -0.0007 321 VAL 44 CB 0.0037 0.0019 0.0041 322 VAL 44 CG1 0.0011 0.0019 0.0048 323 VAL 44 CG2 0.0064 0.0020 0.0063 324 GLN 45 N -0.0034 0.0001 0.0026 325 GLN 45 CA -0.0078 0.0001 -0.0006 326 GLN 45 C -0.0118 -0.0004 0.0015 327 GLN 45 O -0.0118 -0.0010 0.0059 328 GLN 45 CB -0.0096 -0.0000 -0.0007 329 GLN 45 CG -0.0137 0.0001 -0.0048 330 GLN 45 CD -0.0147 0.0001 -0.0055 331 GLN 45 OE1 -0.0129 -0.0000 -0.0027 332 GLN 45 NE2 -0.0178 0.0004 -0.0094 333 ASP 46 N -0.0200 -0.0021 0.0023 334 ASP 46 CA -0.0238 -0.0026 0.0034 335 ASP 46 C -0.0264 -0.0025 0.0076 336 ASP 46 O -0.0287 -0.0028 0.0082 337 ASP 46 CB -0.0271 -0.0036 -0.0002 338 ASP 46 CG -0.0249 -0.0037 -0.0044 339 ASP 46 OD1 -0.0232 -0.0035 -0.0046 340 ASP 46 OD2 -0.0247 -0.0041 -0.0074 341 GLY 47 N -0.0223 -0.0046 0.0079 342 GLY 47 CA -0.0223 -0.0048 0.0079 343 GLY 47 C -0.0216 -0.0039 0.0066 344 GLY 47 O -0.0216 -0.0038 0.0066 345 LEU 48 N -0.0191 -0.0027 0.0056 346 LEU 48 CA -0.0176 -0.0011 0.0077 347 LEU 48 C -0.0130 0.0012 0.0089 348 LEU 48 O -0.0105 0.0011 0.0069 349 LEU 48 CB -0.0171 -0.0026 0.0045 350 LEU 48 CG -0.0217 -0.0047 0.0038 351 LEU 48 CD1 -0.0211 -0.0067 -0.0004 352 LEU 48 CD2 -0.0238 -0.0034 0.0077 353 THR 49 N -0.0071 0.0052 0.0110 354 THR 49 CA -0.0054 0.0061 0.0118 355 THR 49 C -0.0037 0.0060 0.0105 356 THR 49 O -0.0032 0.0057 0.0095 357 THR 49 CB -0.0051 0.0068 0.0129 358 THR 49 OG1 -0.0067 0.0068 0.0139 359 THR 49 CG2 -0.0037 0.0078 0.0141 360 PRO 50 N -0.0000 0.0042 0.0102 361 PRO 50 CA 0.0019 0.0038 0.0089 362 PRO 50 C 0.0030 0.0037 0.0103 363 PRO 50 O 0.0037 0.0037 0.0125 364 PRO 50 CB 0.0038 0.0035 0.0084 365 PRO 50 CG 0.0033 0.0037 0.0104 366 PRO 50 CD 0.0005 0.0041 0.0108 367 LEU 51 N 0.0032 0.0043 0.0101 368 LEU 51 CA 0.0051 0.0043 0.0113 369 LEU 51 C 0.0088 0.0040 0.0114 370 LEU 51 O 0.0107 0.0035 0.0093 371 LEU 51 CB 0.0044 0.0040 0.0092 372 LEU 51 CG 0.0014 0.0045 0.0105 373 LEU 51 CD1 -0.0004 0.0041 0.0076 374 LEU 51 CD2 0.0025 0.0048 0.0132 375 VAL 52 N 0.0110 0.0047 0.0108 376 VAL 52 CA 0.0129 0.0039 0.0108 377 VAL 52 C 0.0147 0.0037 0.0122 378 VAL 52 O 0.0147 0.0045 0.0140 379 VAL 52 CB 0.0127 0.0043 0.0116 380 VAL 52 CG1 0.0147 0.0034 0.0113 381 VAL 52 CG2 0.0108 0.0047 0.0103 382 ARG 53 N 0.0161 0.0049 0.0118 383 ARG 53 CA 0.0178 0.0045 0.0132 384 ARG 53 C 0.0185 0.0037 0.0133 385 ARG 53 O 0.0188 0.0021 0.0124 386 ARG 53 CB 0.0188 0.0031 0.0132 387 ARG 53 CG 0.0205 0.0030 0.0148 388 ARG 53 CD 0.0214 0.0018 0.0147 389 ARG 53 NE 0.0230 0.0019 0.0164 390 ARG 53 CZ 0.0241 0.0010 0.0167 391 ARG 53 NH1 0.0238 -0.0001 0.0156 392 ARG 53 NH2 0.0255 0.0012 0.0183 393 SER 54 N 0.0205 0.0042 0.0132 394 SER 54 CA 0.0197 0.0039 0.0127 395 SER 54 C 0.0201 0.0028 0.0136 396 SER 54 O 0.0213 0.0028 0.0146 397 SER 54 CB 0.0197 0.0054 0.0119 398 SER 54 OG 0.0210 0.0062 0.0125 399 GLY 55 N 0.0204 0.0015 0.0141 400 GLY 55 CA 0.0207 0.0002 0.0151 401 GLY 55 C 0.0209 0.0011 0.0149 402 GLY 55 O 0.0210 0.0027 0.0139 403 SER 56 N 0.0208 -0.0001 0.0161 404 SER 56 CA 0.0212 0.0008 0.0161 405 SER 56 C 0.0191 0.0014 0.0138 406 SER 56 O 0.0173 -0.0005 0.0128 407 SER 56 CB 0.0221 -0.0013 0.0179 408 SER 56 OG 0.0230 -0.0002 0.0183 409 GLY 57 N 0.0203 0.0032 0.0118 410 GLY 57 CA 0.0184 0.0040 0.0093 411 GLY 57 C 0.0180 0.0051 0.0077 412 GLY 57 O 0.0164 0.0056 0.0056 413 SER 58 N 0.0189 0.0048 0.0082 414 SER 58 CA 0.0185 0.0054 0.0075 415 SER 58 C 0.0204 0.0067 0.0071 416 SER 58 O 0.0223 0.0067 0.0081 417 SER 58 CB 0.0174 0.0038 0.0084 418 SER 58 OG 0.0188 0.0028 0.0101 419 SER 59 N 0.0202 0.0077 0.0047 420 SER 59 CA 0.0218 0.0087 0.0042 421 SER 59 C 0.0207 0.0083 0.0044 422 SER 59 O 0.0184 0.0077 0.0044 423 SER 59 CB 0.0225 0.0112 0.0027 424 SER 59 OG 0.0205 0.0124 0.0015 425 ILE 60 N 0.0169 0.0072 0.0059 426 ILE 60 CA 0.0165 0.0070 0.0060 427 ILE 60 C 0.0168 0.0079 0.0054 428 ILE 60 O 0.0177 0.0085 0.0051 429 ILE 60 CB 0.0171 0.0061 0.0067 430 ILE 60 CG1 0.0168 0.0051 0.0073 431 ILE 60 CG2 0.0168 0.0059 0.0067 432 ILE 60 CD1 0.0178 0.0044 0.0079 433 SER 61 N 0.0151 0.0066 0.0063 434 SER 61 CA 0.0145 0.0069 0.0067 435 SER 61 C 0.0138 0.0061 0.0066 436 SER 61 O 0.0133 0.0056 0.0066 437 SER 61 CB 0.0141 0.0077 0.0073 438 SER 61 OG 0.0134 0.0075 0.0076 439 ASP 62 N 0.0095 0.0047 0.0089 440 ASP 62 CA 0.0087 0.0050 0.0083 441 ASP 62 C 0.0085 0.0050 0.0085 442 ASP 62 O 0.0076 0.0052 0.0083 443 ASP 62 CB 0.0076 0.0051 0.0086 444 ASP 62 CG 0.0077 0.0052 0.0081 445 ASP 62 OD1 0.0082 0.0054 0.0072 446 ASP 62 OD2 0.0074 0.0052 0.0086 447 ARG 63 N 0.0086 0.0051 0.0086 448 ARG 63 CA 0.0074 0.0052 0.0101 449 ARG 63 C 0.0066 0.0048 0.0090 450 ARG 63 O 0.0074 0.0050 0.0094 451 ARG 63 CB 0.0085 0.0060 0.0121 452 ARG 63 CG 0.0088 0.0065 0.0135 453 ARG 63 CD 0.0100 0.0073 0.0155 454 ARG 63 NE 0.0102 0.0077 0.0168 455 ARG 63 CZ 0.0113 0.0084 0.0185 456 ARG 63 NH1 0.0123 0.0088 0.0192 457 ARG 63 NH2 0.0115 0.0087 0.0196 458 GLY 64 N 0.0068 0.0034 0.0097 459 GLY 64 CA 0.0060 0.0027 0.0102 460 GLY 64 C 0.0061 0.0020 0.0096 461 GLY 64 O 0.0060 0.0022 0.0099 462 TYR 65 N 0.0049 -0.0004 0.0117 463 TYR 65 CA 0.0048 -0.0010 0.0106 464 TYR 65 C 0.0035 -0.0017 0.0108 465 TYR 65 O 0.0027 -0.0022 0.0110 466 TYR 65 CB 0.0050 -0.0013 0.0094 467 TYR 65 CG 0.0063 -0.0007 0.0090 468 TYR 65 CD1 0.0070 -0.0005 0.0084 469 TYR 65 CD2 0.0068 -0.0002 0.0093 470 TYR 65 CE1 0.0082 0.0001 0.0080 471 TYR 65 CE2 0.0080 0.0004 0.0089 472 TYR 65 CZ 0.0087 0.0006 0.0082 473 TYR 65 OH 0.0099 0.0012 0.0078 474 ASN 66 N -0.0004 -0.0066 0.0130 475 ASN 66 CA -0.0023 -0.0093 0.0143 476 ASN 66 C -0.0023 -0.0096 0.0115 477 ASN 66 O -0.0006 -0.0074 0.0107 478 ASN 66 CB -0.0024 -0.0087 0.0186 479 ASN 66 CG -0.0048 -0.0118 0.0205 480 ASN 66 OD1 -0.0064 -0.0143 0.0186 481 ASN 66 ND2 -0.0050 -0.0116 0.0244 482 ALA 67 N -0.0062 -0.0093 0.0108 483 ALA 67 CA -0.0068 -0.0086 0.0091 484 ALA 67 C -0.0057 -0.0078 0.0076 485 ALA 67 O -0.0061 -0.0072 0.0063 486 ALA 67 CB -0.0088 -0.0086 0.0089 487 PHE 68 N -0.0048 -0.0098 0.0104 488 PHE 68 CA -0.0028 -0.0086 0.0082 489 PHE 68 C 0.0019 -0.0064 0.0090 490 PHE 68 O 0.0041 -0.0051 0.0073 491 PHE 68 CB -0.0045 -0.0097 0.0100 492 PHE 68 CG -0.0090 -0.0118 0.0085 493 PHE 68 CD1 -0.0101 -0.0118 0.0041 494 PHE 68 CD2 -0.0122 -0.0136 0.0113 495 PHE 68 CE1 -0.0142 -0.0137 0.0025 496 PHE 68 CE2 -0.0164 -0.0155 0.0098 497 PHE 68 CZ -0.0174 -0.0156 0.0054 498 ARG 69 N 0.0033 -0.0071 0.0091 499 ARG 69 CA 0.0055 -0.0060 0.0098 500 ARG 69 C 0.0048 -0.0065 0.0098 501 ARG 69 O 0.0048 -0.0081 0.0115 502 ARG 69 CB 0.0074 -0.0067 0.0123 503 ARG 69 CG 0.0084 -0.0062 0.0127 504 ARG 69 CD 0.0103 -0.0068 0.0151 505 ARG 69 NE 0.0109 -0.0066 0.0154 506 ARG 69 CZ 0.0131 -0.0061 0.0168 507 ARG 69 NH1 0.0150 -0.0056 0.0180 508 ARG 69 NH2 0.0133 -0.0060 0.0170 509 GLY 70 N 0.0070 -0.0018 0.0069 510 GLY 70 CA 0.0082 -0.0010 0.0070 511 GLY 70 C 0.0097 0.0003 0.0080 512 GLY 70 O 0.0110 0.0008 0.0072 513 ILE 71 N 0.0114 -0.0003 0.0077 514 ILE 71 CA 0.0117 0.0005 0.0080 515 ILE 71 C 0.0118 0.0009 0.0071 516 ILE 71 O 0.0115 0.0003 0.0068 517 ILE 71 CB 0.0117 0.0002 0.0090 518 ILE 71 CG1 0.0117 -0.0002 0.0099 519 ILE 71 CG2 0.0120 0.0011 0.0093 520 ILE 71 CD1 0.0116 -0.0006 0.0109 521 VAL 72 N 0.0135 0.0025 0.0071 522 VAL 72 CA 0.0138 0.0026 0.0071 523 VAL 72 C 0.0136 0.0029 0.0068 524 VAL 72 O 0.0131 0.0028 0.0069 525 VAL 72 CB 0.0139 0.0021 0.0073 526 VAL 72 CG1 0.0143 0.0022 0.0073 527 VAL 72 CG2 0.0141 0.0017 0.0076 528 TYR 73 N 0.0144 0.0042 0.0050 529 TYR 73 CA 0.0143 0.0047 0.0049 530 TYR 73 C 0.0146 0.0048 0.0047 531 TYR 73 O 0.0151 0.0047 0.0045 532 TYR 73 CB 0.0144 0.0051 0.0047 533 TYR 73 CG 0.0141 0.0051 0.0048 534 TYR 73 CD1 0.0137 0.0054 0.0049 535 TYR 73 CD2 0.0141 0.0047 0.0049 536 TYR 73 CE1 0.0134 0.0054 0.0050 537 TYR 73 CE2 0.0138 0.0047 0.0051 538 TYR 73 CZ 0.0134 0.0051 0.0051 539 TYR 73 OH 0.0131 0.0050 0.0052 540 PHE 74 N 0.0147 0.0058 0.0039 541 PHE 74 CA 0.0147 0.0054 0.0044 542 PHE 74 C 0.0139 0.0059 0.0033 543 PHE 74 O 0.0126 0.0055 0.0027 544 PHE 74 CB 0.0137 0.0041 0.0054 545 PHE 74 CG 0.0145 0.0036 0.0068 546 PHE 74 CD1 0.0156 0.0035 0.0077 547 PHE 74 CD2 0.0142 0.0031 0.0071 548 PHE 74 CE1 0.0164 0.0030 0.0089 549 PHE 74 CE2 0.0149 0.0026 0.0084 550 PHE 74 CZ 0.0160 0.0025 0.0093 551 THR 75 N 0.0149 0.0074 0.0024 552 THR 75 CA 0.0143 0.0089 0.0012 553 THR 75 C 0.0148 0.0088 0.0014 554 THR 75 O 0.0165 0.0086 0.0015 555 THR 75 CB 0.0154 0.0104 0.0001 556 THR 75 OG1 0.0150 0.0105 -0.0000 557 THR 75 CG2 0.0146 0.0120 -0.0011 558 PHE 76 N 0.0136 0.0087 -0.0010 559 PHE 76 CA 0.0134 0.0079 -0.0000 560 PHE 76 C 0.0133 0.0094 -0.0020 561 PHE 76 O 0.0112 0.0098 -0.0037 562 PHE 76 CB 0.0109 0.0060 0.0011 563 PHE 76 CG 0.0110 0.0045 0.0032 564 PHE 76 CD1 0.0120 0.0031 0.0055 565 PHE 76 CD2 0.0102 0.0044 0.0028 566 PHE 76 CE1 0.0122 0.0017 0.0075 567 PHE 76 CE2 0.0104 0.0030 0.0048 568 PHE 76 CZ 0.0115 0.0017 0.0071 569 THR 77 N 0.0148 0.0113 -0.0021 570 THR 77 CA 0.0153 0.0138 -0.0046 571 THR 77 C 0.0154 0.0135 -0.0042 572 THR 77 O 0.0179 0.0126 -0.0028 573 THR 77 CB 0.0187 0.0156 -0.0057 574 THR 77 OG1 0.0194 0.0156 -0.0055 575 THR 77 CG2 0.0183 0.0184 -0.0086 576 HIS 78 N 0.0134 0.0147 -0.0075 577 HIS 78 CA 0.0122 0.0141 -0.0074 578 HIS 78 C 0.0136 0.0122 -0.0037 579 HIS 78 O 0.0172 0.0134 -0.0030 580 HIS 78 CB 0.0134 0.0171 -0.0110 581 HIS 78 CG 0.0101 0.0181 -0.0149 582 HIS 78 ND1 0.0106 0.0200 -0.0172 583 HIS 78 CD2 0.0063 0.0175 -0.0167 584 HIS 78 CE1 0.0071 0.0204 -0.0203 585 HIS 78 NE2 0.0044 0.0190 -0.0202 586 GLY 79 N 0.0114 0.0093 -0.0020 587 GLY 79 CA 0.0125 0.0073 0.0012 588 GLY 79 C 0.0090 0.0045 0.0015 589 GLY 79 O 0.0093 0.0039 0.0024 590 TYR 80 N 0.0052 0.0027 0.0009 591 TYR 80 CA 0.0015 -0.0009 0.0020 592 TYR 80 C -0.0035 -0.0017 -0.0008 593 TYR 80 O -0.0068 -0.0044 -0.0004 594 TYR 80 CB 0.0023 -0.0045 0.0066 595 TYR 80 CG 0.0061 -0.0048 0.0097 596 TYR 80 CD1 0.0050 -0.0063 0.0105 597 TYR 80 CD2 0.0107 -0.0034 0.0117 598 TYR 80 CE1 0.0085 -0.0061 0.0130 599 TYR 80 CE2 0.0143 -0.0032 0.0141 600 TYR 80 CZ 0.0132 -0.0045 0.0147 601 TYR 80 OH 0.0167 -0.0043 0.0172 602 ASN 81 N -0.0034 0.0001 -0.0041 603 ASN 81 CA -0.0073 -0.0003 -0.0066 604 ASN 81 C -0.0065 0.0029 -0.0105 605 ASN 81 O -0.0029 0.0049 -0.0105 606 ASN 81 CB -0.0089 -0.0025 -0.0048 607 ASN 81 CG -0.0110 -0.0059 -0.0017 608 ASN 81 OD1 -0.0143 -0.0070 -0.0027 609 ASN 81 ND2 -0.0093 -0.0075 0.0020 610 GLN 82 N -0.0103 0.0027 -0.0145 611 GLN 82 CA -0.0094 0.0059 -0.0198 612 GLN 82 C -0.0079 0.0068 -0.0202 613 GLN 82 O -0.0062 0.0095 -0.0240 614 GLN 82 CB -0.0146 0.0059 -0.0239 615 GLN 82 CG -0.0163 0.0053 -0.0240 616 GLN 82 CD -0.0215 0.0052 -0.0281 617 GLN 82 OE1 -0.0235 0.0063 -0.0316 618 GLN 82 NE2 -0.0239 0.0040 -0.0277 619 TYR 83 N -0.0094 0.0047 -0.0171 620 TYR 83 CA -0.0087 0.0049 -0.0168 621 TYR 83 C -0.0033 0.0062 -0.0149 622 TYR 83 O -0.0009 0.0055 -0.0111 623 TYR 83 CB -0.0119 0.0019 -0.0131 624 TYR 83 CG -0.0174 0.0004 -0.0148 625 TYR 83 CD1 -0.0201 0.0008 -0.0183 626 TYR 83 CD2 -0.0200 -0.0014 -0.0132 627 TYR 83 CE1 -0.0251 -0.0003 -0.0204 628 TYR 83 CE2 -0.0250 -0.0025 -0.0153 629 TYR 83 CZ -0.0275 -0.0019 -0.0190 630 TYR 83 OH -0.0324 -0.0028 -0.0213 631 SER 84 N -0.0024 0.0064 -0.0145 632 SER 84 CA 0.0012 0.0071 -0.0133 633 SER 84 C 0.0005 0.0065 -0.0126 634 SER 84 O -0.0020 0.0065 -0.0145 635 SER 84 CB 0.0041 0.0094 -0.0160 636 SER 84 OG 0.0026 0.0105 -0.0196 637 ALA 85 N 0.0041 0.0046 -0.0076 638 ALA 85 CA 0.0041 0.0044 -0.0069 639 ALA 85 C 0.0075 0.0048 -0.0052 640 ALA 85 O 0.0089 0.0045 -0.0031 641 ALA 85 CB 0.0015 0.0026 -0.0046 642 SER 86 N 0.0090 0.0046 -0.0029 643 SER 86 CA 0.0107 0.0046 -0.0020 644 SER 86 C 0.0100 0.0040 -0.0013 645 SER 86 O 0.0086 0.0039 -0.0019 646 SER 86 CB 0.0120 0.0057 -0.0032 647 SER 86 OG 0.0127 0.0064 -0.0041 648 THR 87 N 0.0115 0.0034 0.0024 649 THR 87 CA 0.0114 0.0031 0.0033 650 THR 87 C 0.0127 0.0032 0.0034 651 THR 87 O 0.0137 0.0034 0.0030 652 THR 87 CB 0.0109 0.0026 0.0047 653 THR 87 OG1 0.0105 0.0023 0.0054 654 THR 87 CG2 0.0121 0.0024 0.0055 655 ARG 88 N 0.0127 0.0018 0.0042 656 ARG 88 CA 0.0142 0.0012 0.0048 657 ARG 88 C 0.0142 0.0012 0.0066 658 ARG 88 O 0.0134 0.0015 0.0073 659 ARG 88 CB 0.0151 0.0009 0.0041 660 ARG 88 CG 0.0156 0.0007 0.0023 661 ARG 88 CD 0.0165 0.0004 0.0018 662 ARG 88 NE 0.0166 0.0003 -0.0000 663 ARG 88 CZ 0.0169 0.0002 -0.0010 664 ARG 88 NH1 0.0174 -0.0000 -0.0004 665 ARG 88 NH2 0.0167 0.0003 -0.0026 666 PHE 89 N 0.0142 0.0009 0.0087 667 PHE 89 CA 0.0143 0.0013 0.0087 668 PHE 89 C 0.0141 0.0010 0.0086 669 PHE 89 O 0.0138 0.0006 0.0084 670 PHE 89 CB 0.0142 0.0019 0.0084 671 PHE 89 CG 0.0138 0.0019 0.0080 672 PHE 89 CD1 0.0136 0.0018 0.0078 673 PHE 89 CD2 0.0135 0.0020 0.0077 674 PHE 89 CE1 0.0131 0.0019 0.0074 675 PHE 89 CE2 0.0131 0.0020 0.0073 676 PHE 89 CZ 0.0129 0.0020 0.0072 677 GLY 90 N 0.0134 0.0002 0.0096 678 GLY 90 CA 0.0124 -0.0002 0.0091 679 GLY 90 C 0.0123 0.0006 0.0078 680 GLY 90 O 0.0131 0.0014 0.0075 681 VAL 91 N 0.0099 0.0000 0.0078 682 VAL 91 CA 0.0096 0.0008 0.0054 683 VAL 91 C 0.0079 0.0004 0.0048 684 VAL 91 O 0.0061 -0.0005 0.0053 685 VAL 91 CB 0.0089 0.0009 0.0043 686 VAL 91 CG1 0.0087 0.0018 0.0018 687 VAL 91 CG2 0.0105 0.0013 0.0050 688 TYR 92 N 0.0086 0.0011 0.0043 689 TYR 92 CA 0.0067 0.0010 0.0030 690 TYR 92 C 0.0048 0.0017 0.0003 691 TYR 92 O 0.0060 0.0033 -0.0017 692 TYR 92 CB 0.0085 0.0022 0.0023 693 TYR 92 CG 0.0097 0.0013 0.0049 694 TYR 92 CD1 0.0080 0.0001 0.0058 695 TYR 92 CD2 0.0126 0.0016 0.0065 696 TYR 92 CE1 0.0091 -0.0009 0.0083 697 TYR 92 CE2 0.0137 0.0007 0.0090 698 TYR 92 CZ 0.0119 -0.0005 0.0099 699 TYR 92 OH 0.0131 -0.0014 0.0124 700 VAL 93 N 0.0004 0.0005 0.0003 701 VAL 93 CA -0.0017 0.0011 -0.0021 702 VAL 93 C -0.0018 0.0024 -0.0063 703 VAL 93 O -0.0009 0.0034 -0.0089 704 VAL 93 CB -0.0059 0.0002 -0.0009 705 VAL 93 CG1 -0.0079 0.0008 -0.0032 706 VAL 93 CG2 -0.0058 -0.0012 0.0034 707 ASP 94 N -0.0036 0.0018 -0.0075 708 ASP 94 CA -0.0040 0.0039 -0.0118 709 ASP 94 C 0.0001 0.0053 -0.0147 710 ASP 94 O -0.0006 0.0070 -0.0182 711 ASP 94 CB -0.0052 0.0040 -0.0120 712 ASP 94 CG -0.0011 0.0034 -0.0108 713 ASP 94 OD1 0.0012 0.0019 -0.0076 714 ASP 94 OD2 -0.0004 0.0046 -0.0132 715 THR 95 N 0.0027 0.0044 -0.0116 716 THR 95 CA 0.0064 0.0056 -0.0135 717 THR 95 C 0.0086 0.0056 -0.0127 718 THR 95 O 0.0112 0.0067 -0.0148 719 THR 95 CB 0.0091 0.0055 -0.0122 720 THR 95 OG1 0.0094 0.0042 -0.0083 721 THR 95 CG2 0.0073 0.0058 -0.0136 722 GLY 96 N 0.0075 0.0043 -0.0085 723 GLY 96 CA 0.0092 0.0042 -0.0076 724 GLY 96 C 0.0117 0.0040 -0.0062 725 GLY 96 O 0.0135 0.0041 -0.0057 726 LEU 97 N 0.0122 0.0052 -0.0030 727 LEU 97 CA 0.0146 0.0064 -0.0001 728 LEU 97 C 0.0149 0.0054 0.0021 729 LEU 97 O 0.0131 0.0029 0.0032 730 LEU 97 CB 0.0150 0.0056 0.0021 731 LEU 97 CG 0.0176 0.0067 0.0052 732 LEU 97 CD1 0.0199 0.0100 0.0041 733 LEU 97 CD2 0.0175 0.0054 0.0075 734 ILE 98 N 0.0154 0.0055 0.0051 735 ILE 98 CA 0.0154 0.0044 0.0058 736 ILE 98 C 0.0168 0.0039 0.0065 737 ILE 98 O 0.0179 0.0047 0.0064 738 ILE 98 CB 0.0153 0.0046 0.0056 739 ILE 98 CG1 0.0140 0.0053 0.0048 740 ILE 98 CG2 0.0152 0.0033 0.0063 741 ILE 98 CD1 0.0137 0.0056 0.0045 742 VAL 99 N 0.0164 0.0040 0.0087 743 VAL 99 CA 0.0178 0.0037 0.0102 744 VAL 99 C 0.0179 0.0027 0.0109 745 VAL 99 O 0.0168 0.0017 0.0104 746 VAL 99 CB 0.0180 0.0026 0.0111 747 VAL 99 CG1 0.0183 0.0037 0.0107 748 VAL 99 CG2 0.0167 0.0008 0.0108 749 ASP 100 N 0.0187 0.0034 0.0121 750 ASP 100 CA 0.0189 0.0023 0.0126 751 ASP 100 C 0.0190 0.0002 0.0132 752 ASP 100 O 0.0188 -0.0006 0.0132 753 ASP 100 CB 0.0202 0.0034 0.0136 754 ASP 100 CG 0.0217 0.0032 0.0151 755 ASP 100 OD1 0.0219 0.0025 0.0154 756 ASP 100 OD2 0.0227 0.0038 0.0159 757 SER 101 N 0.0192 0.0003 0.0144 758 SER 101 CA 0.0203 -0.0023 0.0146 759 SER 101 C 0.0214 -0.0032 0.0178 760 SER 101 O 0.0224 -0.0056 0.0181 761 SER 101 CB 0.0197 -0.0018 0.0132 762 SER 101 OG 0.0190 0.0009 0.0144 763 ASN 102 N 0.0228 -0.0022 0.0192 764 ASN 102 CA 0.0243 -0.0023 0.0209 765 ASN 102 C 0.0240 -0.0016 0.0204 766 ASN 102 O 0.0251 -0.0015 0.0216 767 ASN 102 CB 0.0259 -0.0005 0.0221 768 ASN 102 CG 0.0261 -0.0010 0.0226 769 ASN 102 OD1 0.0265 -0.0029 0.0236 770 ASN 102 ND2 0.0259 0.0006 0.0218 771 GLY 103 N 0.0219 -0.0014 0.0181 772 GLY 103 CA 0.0213 -0.0003 0.0171 773 GLY 103 C 0.0222 0.0014 0.0165 774 GLY 103 O 0.0221 0.0024 0.0157 775 ARG 104 N 0.0227 0.0014 0.0164 776 ARG 104 CA 0.0238 0.0045 0.0161 777 ARG 104 C 0.0231 0.0060 0.0126 778 ARG 104 O 0.0224 0.0059 0.0110 779 ARG 104 CB 0.0256 0.0068 0.0179 780 ARG 104 CG 0.0266 0.0058 0.0215 781 ARG 104 CD 0.0283 0.0081 0.0233 782 ARG 104 NE 0.0292 0.0069 0.0267 783 ARG 104 CZ 0.0308 0.0086 0.0290 784 ARG 104 NH1 0.0317 0.0113 0.0283 785 ARG 104 NH2 0.0316 0.0074 0.0321 786 PRO 105 N 0.0234 0.0070 0.0114 787 PRO 105 CA 0.0219 0.0083 0.0104 788 PRO 105 C 0.0213 0.0087 0.0101 789 PRO 105 O 0.0224 0.0094 0.0106 790 PRO 105 CB 0.0225 0.0103 0.0105 791 PRO 105 CG 0.0238 0.0097 0.0113 792 PRO 105 CD 0.0247 0.0079 0.0120 793 ILE 106 N 0.0174 0.0078 0.0093 794 ILE 106 CA 0.0167 0.0073 0.0095 795 ILE 106 C 0.0158 0.0086 0.0095 796 ILE 106 O 0.0148 0.0092 0.0096 797 ILE 106 CB 0.0156 0.0060 0.0097 798 ILE 106 CG1 0.0165 0.0047 0.0097 799 ILE 106 CG2 0.0149 0.0056 0.0099 800 ILE 106 CD1 0.0155 0.0034 0.0100 801 TYR 107 N 0.0144 0.0063 0.0105 802 TYR 107 CA 0.0122 0.0087 0.0115 803 TYR 107 C 0.0105 0.0063 0.0119 804 TYR 107 O 0.0122 0.0049 0.0112 805 TYR 107 CB 0.0143 0.0118 0.0110 806 TYR 107 CG 0.0161 0.0142 0.0106 807 TYR 107 CD1 0.0142 0.0168 0.0115 808 TYR 107 CD2 0.0196 0.0140 0.0094 809 TYR 107 CE1 0.0158 0.0192 0.0111 810 TYR 107 CE2 0.0213 0.0164 0.0090 811 TYR 107 CZ 0.0194 0.0189 0.0098 812 TYR 107 OH 0.0210 0.0213 0.0095 813 GLY 108 N 0.0087 0.0048 0.0138 814 GLY 108 CA 0.0069 0.0043 0.0135 815 GLY 108 C 0.0066 0.0033 0.0118 816 GLY 108 O 0.0073 0.0029 0.0109 817 THR 109 N 0.0043 0.0024 0.0116 818 THR 109 CA 0.0037 0.0017 0.0099 819 THR 109 C 0.0049 0.0016 0.0085 820 THR 109 O 0.0049 0.0015 0.0083 821 THR 109 CB 0.0019 0.0010 0.0097 822 THR 109 OG1 0.0007 0.0011 0.0110 823 THR 109 CG2 0.0013 0.0002 0.0080 824 ALA 110 N 0.0051 0.0011 0.0103 825 ALA 110 CA 0.0056 0.0015 0.0087 826 ALA 110 C 0.0039 0.0016 0.0071 827 ALA 110 O 0.0029 0.0016 0.0065 828 ALA 110 CB 0.0077 0.0019 0.0078 829 PRO 111 N 0.0022 0.0024 0.0092 830 PRO 111 CA 0.0008 0.0020 0.0074 831 PRO 111 C 0.0012 0.0016 0.0051 832 PRO 111 O 0.0028 0.0016 0.0048 833 PRO 111 CB 0.0016 0.0020 0.0074 834 PRO 111 CG 0.0041 0.0024 0.0081 835 PRO 111 CD 0.0042 0.0027 0.0099 836 ARG 112 N -0.0052 0.0011 0.0085 837 ARG 112 CA -0.0049 0.0011 0.0025 838 ARG 112 C 0.0007 0.0018 -0.0012 839 ARG 112 O 0.0026 0.0020 -0.0048 840 ARG 112 CB -0.0104 0.0003 -0.0011 841 ARG 112 CG -0.0115 0.0002 -0.0073 842 ARG 112 CD -0.0164 -0.0005 -0.0108 843 ARG 112 NE -0.0172 -0.0006 -0.0167 844 ARG 112 CZ -0.0225 -0.0013 -0.0187 845 ARG 112 NH1 -0.0275 -0.0020 -0.0156 846 ARG 112 NH2 -0.0228 -0.0014 -0.0237 847 LYS 113 N 0.0034 0.0019 0.0017 848 LYS 113 CA 0.0046 0.0017 0.0011 849 LYS 113 C 0.0058 0.0015 0.0013 850 LYS 113 O 0.0069 0.0014 0.0007 851 LYS 113 CB 0.0050 0.0016 0.0019 852 LYS 113 CG 0.0040 0.0018 0.0016 853 LYS 113 CD 0.0045 0.0017 0.0022 854 LYS 113 CE 0.0035 0.0018 0.0018 855 LYS 113 NZ 0.0040 0.0018 0.0024 856 ALA 114 N 0.0060 0.0022 0.0033 857 ALA 114 CA 0.0075 0.0024 0.0038 858 ALA 114 C 0.0074 0.0024 0.0024 859 ALA 114 O 0.0089 0.0026 0.0021 860 ALA 114 CB 0.0071 0.0023 0.0059 861 CYS 115 N 0.0043 0.0018 -0.0004 862 CYS 115 CA 0.0044 0.0022 -0.0026 863 CYS 115 C 0.0053 0.0028 -0.0054 864 CYS 115 O 0.0038 0.0029 -0.0067 865 CYS 115 CB 0.0015 0.0021 -0.0031 866 CYS 115 SG 0.0000 0.0014 0.0000 867 ILE 116 N 0.0064 0.0025 -0.0032 868 ILE 116 CA 0.0080 0.0029 -0.0054 869 ILE 116 C 0.0076 0.0030 -0.0082 870 ILE 116 O 0.0075 0.0032 -0.0104 871 ILE 116 CB 0.0110 0.0033 -0.0047 872 ILE 116 CG1 0.0121 0.0033 -0.0035 873 ILE 116 CG2 0.0115 0.0032 -0.0026 874 ILE 116 CD1 0.0150 0.0038 -0.0046 875 ASP 117 N 0.0073 0.0060 -0.0121 876 ASP 117 CA 0.0074 0.0067 -0.0140 877 ASP 117 C 0.0057 0.0070 -0.0141 878 ASP 117 O 0.0060 0.0072 -0.0148 879 ASP 117 CB 0.0094 0.0067 -0.0146 880 ASP 117 CG 0.0112 0.0065 -0.0145 881 ASP 117 OD1 0.0111 0.0068 -0.0155 882 ASP 117 OD2 0.0126 0.0060 -0.0136 883 TYR 118 N 0.0018 0.0065 -0.0192 884 TYR 118 CA -0.0021 0.0057 -0.0189 885 TYR 118 C -0.0041 0.0065 -0.0232 886 TYR 118 O -0.0049 0.0071 -0.0257 887 TYR 118 CB -0.0051 0.0043 -0.0162 888 TYR 118 CG -0.0092 0.0033 -0.0159 889 TYR 118 CD1 -0.0130 0.0030 -0.0174 890 TYR 118 CD2 -0.0093 0.0029 -0.0146 891 TYR 118 CE1 -0.0168 0.0023 -0.0178 892 TYR 118 CE2 -0.0130 0.0023 -0.0151 893 TYR 118 CZ -0.0167 0.0020 -0.0167 894 TYR 118 OH -0.0202 0.0016 -0.0176 895 SER 119 N -0.0056 0.0090 -0.0258 896 SER 119 CA -0.0084 0.0103 -0.0304 897 SER 119 C -0.0141 0.0085 -0.0295 898 SER 119 O -0.0148 0.0074 -0.0272 899 SER 119 CB -0.0055 0.0118 -0.0325 900 SER 119 OG -0.0072 0.0136 -0.0376 901 PRO 120 N -0.0174 0.0077 -0.0342 902 PRO 120 CA -0.0231 0.0058 -0.0337 903 PRO 120 C -0.0251 0.0068 -0.0376 904 PRO 120 O -0.0240 0.0089 -0.0422 905 PRO 120 CB -0.0264 0.0054 -0.0351 906 PRO 120 CG -0.0228 0.0078 -0.0384 907 PRO 120 CD -0.0170 0.0087 -0.0362 908 HIS 121 N -0.0281 0.0054 -0.0356 909 HIS 121 CA -0.0308 0.0054 -0.0387 910 HIS 121 C -0.0368 0.0035 -0.0404 911 HIS 121 O -0.0399 0.0036 -0.0440 912 HIS 121 CB -0.0301 0.0043 -0.0351 913 HIS 121 CG -0.0242 0.0064 -0.0340 914 HIS 121 ND1 -0.0226 0.0083 -0.0371 915 HIS 121 CD2 -0.0197 0.0069 -0.0304 916 HIS 121 CE1 -0.0172 0.0099 -0.0354 917 HIS 121 NE2 -0.0153 0.0092 -0.0313 918 GLY 122 N -0.0382 0.0015 -0.0389 919 GLY 122 CA -0.0439 -0.0008 -0.0413 920 GLY 122 C -0.0442 -0.0014 -0.0401 921 GLY 122 O -0.0400 -0.0002 -0.0369 922 PRO 123 N -0.0489 -0.0040 -0.0444 923 PRO 123 CA -0.0489 -0.0040 -0.0445 924 PRO 123 C -0.0502 -0.0066 -0.0368 925 PRO 123 O -0.0490 -0.0062 -0.0354 926 PRO 123 CB -0.0546 -0.0060 -0.0509 927 PRO 123 CG -0.0595 -0.0089 -0.0512 928 PRO 123 CD -0.0547 -0.0064 -0.0495 929 THR 124 N -0.0518 -0.0076 -0.0346 930 THR 124 CA -0.0538 -0.0099 -0.0278 931 THR 124 C -0.0487 -0.0094 -0.0227 932 THR 124 O -0.0494 -0.0110 -0.0167 933 THR 124 CB -0.0600 -0.0122 -0.0268 934 THR 124 OG1 -0.0598 -0.0114 -0.0298 935 THR 124 CG2 -0.0659 -0.0133 -0.0304 936 ASP 125 N -0.0425 -0.0069 -0.0234 937 ASP 125 CA -0.0380 -0.0061 -0.0189 938 ASP 125 C -0.0352 -0.0058 -0.0157 939 ASP 125 O -0.0347 -0.0048 -0.0181 940 ASP 125 CB -0.0335 -0.0033 -0.0214 941 ASP 125 CG -0.0356 -0.0033 -0.0248 942 ASP 125 OD1 -0.0397 -0.0056 -0.0232 943 ASP 125 OD2 -0.0330 -0.0008 -0.0291 944 VAL 126 N -0.0304 -0.0053 -0.0111 945 VAL 126 CA -0.0277 -0.0057 -0.0070 946 VAL 126 C -0.0218 -0.0045 -0.0053 947 VAL 126 O -0.0205 -0.0042 -0.0051 948 VAL 126 CB -0.0310 -0.0082 -0.0018 949 VAL 126 CG1 -0.0364 -0.0093 -0.0034 950 VAL 126 CG2 -0.0324 -0.0094 0.0007 951 CYS 127 N -0.0146 -0.0030 -0.0035 952 CYS 127 CA -0.0111 -0.0019 -0.0016 953 CYS 127 C -0.0101 -0.0017 0.0020 954 CYS 127 O -0.0100 -0.0017 0.0015 955 CYS 127 CB -0.0076 -0.0006 -0.0046 956 CYS 127 SG -0.0033 0.0008 -0.0025 957 SER 128 N -0.0056 -0.0022 0.0029 958 SER 128 CA -0.0049 -0.0030 0.0055 959 SER 128 C -0.0019 -0.0026 0.0073 960 SER 128 O -0.0011 -0.0023 0.0073 961 SER 128 CB -0.0075 -0.0046 0.0077 962 SER 128 OG -0.0082 -0.0053 0.0090 963 VAL 129 N 0.0031 -0.0004 0.0070 964 VAL 129 CA 0.0045 0.0001 0.0080 965 VAL 129 C 0.0046 0.0002 0.0099 966 VAL 129 O 0.0048 0.0002 0.0100 967 VAL 129 CB 0.0063 0.0008 0.0071 968 VAL 129 CG1 0.0077 0.0013 0.0082 969 VAL 129 CG2 0.0062 0.0008 0.0051 970 THR 130 N 0.0065 0.0011 0.0084 971 THR 130 CA 0.0066 0.0009 0.0099 972 THR 130 C 0.0081 0.0008 0.0103 973 THR 130 O 0.0085 0.0009 0.0098 974 THR 130 CB 0.0054 0.0008 0.0107 975 THR 130 OG1 0.0040 0.0009 0.0104 976 THR 130 CG2 0.0056 0.0006 0.0124 977 ILE 131 N 0.0104 0.0030 0.0090 978 ILE 131 CA 0.0109 0.0029 0.0091 979 ILE 131 C 0.0109 0.0032 0.0098 980 ILE 131 O 0.0110 0.0033 0.0101 981 ILE 131 CB 0.0115 0.0027 0.0090 982 ILE 131 CG1 0.0115 0.0024 0.0083 983 ILE 131 CG2 0.0119 0.0026 0.0090 984 ILE 131 CD1 0.0121 0.0022 0.0082 985 THR 132 N 0.0124 0.0010 0.0043 986 THR 132 CA 0.0126 -0.0002 0.0041 987 THR 132 C 0.0130 -0.0008 0.0038 988 THR 132 O 0.0138 -0.0004 0.0037 989 THR 132 CB 0.0135 -0.0003 0.0038 990 THR 132 OG1 0.0137 0.0007 0.0039 991 THR 132 CG2 0.0130 -0.0012 0.0038 992 ARG 133 N 0.0166 -0.0033 -0.0037 993 ARG 133 CA 0.0145 -0.0023 -0.0041 994 ARG 133 C 0.0152 -0.0026 -0.0046 995 ARG 133 O 0.0165 -0.0031 -0.0064 996 ARG 133 CB 0.0131 -0.0015 -0.0065 997 ARG 133 CG 0.0107 -0.0004 -0.0070 998 ARG 133 CD 0.0094 0.0003 -0.0094 999 ARG 133 NE 0.0073 0.0013 -0.0099 1000 ARG 133 CZ 0.0059 0.0020 -0.0120 1001 ARG 133 NH1 0.0062 0.0020 -0.0137 1002 ARG 133 NH2 0.0042 0.0028 -0.0123 1003 SER 134 N 0.0162 -0.0024 -0.0012 1004 SER 134 CA 0.0176 -0.0030 -0.0021 1005 SER 134 C 0.0160 -0.0035 -0.0054 1006 SER 134 O 0.0131 -0.0031 -0.0063 1007 SER 134 CB 0.0174 -0.0021 0.0007 1008 SER 134 OG 0.0177 -0.0013 0.0039 1009 LYS 135 N 0.0298 -0.0104 -0.0056 1010 LYS 135 CA 0.0202 -0.0108 -0.0269 1011 LYS 135 C 0.0084 0.0028 -0.0117 1012 LYS 135 O 0.0101 0.0115 0.0168 1013 LYS 135 CB 0.0427 -0.0320 -0.0417 1014 LYS 135 CG 0.0525 -0.0466 -0.0637 1015 LYS 135 CD 0.0728 -0.0668 -0.0799 1016 LYS 135 CE 0.0816 -0.0812 -0.1036 1017 LYS 135 NZ 0.1010 -0.1002 -0.1182 1018 LYS 135 OXT -0.0019 0.0044 -0.0290