1 ASP 1 N 0.0259 0.0069 0.0029 2 ASP 1 H1 0.0201 0.0005 0.0003 3 ASP 1 H2 0.0230 0.0126 0.0086 4 ASP 1 H3 0.0292 0.0077 0.0022 5 ASP 1 CA 0.0344 0.0066 -0.0007 6 ASP 1 HA 0.0373 0.0010 -0.0064 7 ASP 1 CB 0.0429 0.0157 0.0030 8 ASP 1 HB1 0.0471 0.0173 0.0026 9 ASP 1 HB2 0.0395 0.0218 0.0091 10 ASP 1 CG 0.0509 0.0154 -0.0006 11 ASP 1 OD1 0.0552 0.0086 -0.0076 12 ASP 1 OD2 0.0526 0.0222 0.0041 13 ASP 1 C 0.0289 0.0042 -0.0004 14 ASP 1 O 0.0208 0.0071 0.0052 15 ALA 2 N 0.0338 0.0006 -0.0017 16 ALA 2 H 0.0392 -0.0010 -0.0034 17 ALA 2 CA 0.0303 -0.0039 -0.0033 18 ALA 2 HA 0.0360 -0.0053 -0.0049 19 ALA 2 CB 0.0249 0.0013 0.0001 20 ALA 2 HB1 0.0181 0.0016 0.0015 21 ALA 2 HB2 0.0251 -0.0023 -0.0016 22 ALA 2 HB3 0.0287 0.0068 0.0021 23 ALA 2 C 0.0252 -0.0112 -0.0058 24 ALA 2 O 0.0210 -0.0152 -0.0070 25 GLU 3 N 0.0218 -0.0122 -0.0072 26 GLU 3 H 0.0233 -0.0089 -0.0054 27 GLU 3 CA 0.0160 -0.0182 -0.0095 28 GLU 3 HA 0.0105 -0.0163 -0.0064 29 GLU 3 CB 0.0169 -0.0202 -0.0111 30 GLU 3 HB1 0.0226 -0.0212 -0.0137 31 GLU 3 HB2 0.0131 -0.0252 -0.0134 32 GLU 3 CG 0.0146 -0.0158 -0.0074 33 GLU 3 HG1 0.0157 -0.0182 -0.0094 34 GLU 3 HG2 0.0083 -0.0158 -0.0054 35 GLU 3 CD 0.0194 -0.0088 -0.0041 36 GLU 3 OE1 0.0158 -0.0041 0.0002 37 GLU 3 OE2 0.0265 -0.0080 -0.0058 38 GLU 3 C 0.0153 -0.0245 -0.0136 39 GLU 3 O 0.0088 -0.0277 -0.0137 40 PHE 4 N 0.0247 -0.0299 -0.0174 41 PHE 4 H 0.0310 -0.0270 -0.0159 42 PHE 4 CA 0.0261 -0.0377 -0.0223 43 PHE 4 HA 0.0217 -0.0422 -0.0249 44 PHE 4 CB 0.0367 -0.0405 -0.0247 45 PHE 4 HB1 0.0366 -0.0472 -0.0289 46 PHE 4 HB2 0.0398 -0.0401 -0.0247 47 PHE 4 CG 0.0438 -0.0359 -0.0223 48 PHE 4 CD1 0.0472 -0.0398 -0.0249 49 PHE 4 HD1 0.0457 -0.0465 -0.0290 50 PHE 4 CD2 0.0467 -0.0276 -0.0173 51 PHE 4 HD2 0.0449 -0.0250 -0.0156 52 PHE 4 CE1 0.0535 -0.0355 -0.0226 53 PHE 4 HE1 0.0564 -0.0388 -0.0249 54 PHE 4 CE2 0.0533 -0.0231 -0.0149 55 PHE 4 HE2 0.0557 -0.0168 -0.0111 56 PHE 4 CZ 0.0560 -0.0272 -0.0176 57 PHE 4 HZ 0.0604 -0.0245 -0.0162 58 PHE 4 C 0.0230 -0.0371 -0.0217 59 PHE 4 O 0.0232 -0.0436 -0.0258 60 ARG 5 N 0.0179 -0.0293 -0.0130 61 ARG 5 H 0.0190 -0.0247 -0.0111 62 ARG 5 CA 0.0139 -0.0275 -0.0116 63 ARG 5 HA 0.0148 -0.0323 -0.0138 64 ARG 5 CB 0.0182 -0.0205 -0.0092 65 ARG 5 HB1 0.0172 -0.0153 -0.0067 66 ARG 5 HB2 0.0148 -0.0205 -0.0087 67 ARG 5 CG 0.0280 -0.0209 -0.0108 68 ARG 5 HG1 0.0299 -0.0272 -0.0139 69 ARG 5 HG2 0.0319 -0.0189 -0.0105 70 ARG 5 CD 0.0306 -0.0155 -0.0088 71 ARG 5 HD1 0.0254 -0.0151 -0.0079 72 ARG 5 HD2 0.0365 -0.0182 -0.0109 73 ARG 5 NE 0.0333 -0.0073 -0.0056 74 ARG 5 HE 0.0389 -0.0073 -0.0065 75 ARG 5 CZ 0.0296 -0.0004 -0.0021 76 ARG 5 NH1 0.0224 -0.0001 -0.0009 77 ARG 5 HH11 0.0203 0.0052 0.0018 78 ARG 5 HH12 0.0186 -0.0048 -0.0024 79 ARG 5 NH2 0.0333 0.0065 0.0004 80 ARG 5 HH21 0.0302 0.0118 0.0032 81 ARG 5 HH22 0.0389 0.0065 -0.0004 82 ARG 5 C 0.0042 -0.0267 -0.0098 83 ARG 5 O -0.0004 -0.0251 -0.0084 84 HIS 6 N -0.0007 -0.0266 -0.0012 85 HIS 6 H 0.0019 -0.0268 0.0006 86 HIS 6 CA -0.0066 -0.0243 -0.0044 87 HIS 6 HA -0.0090 -0.0236 -0.0058 88 HIS 6 CB -0.0075 -0.0181 -0.0019 89 HIS 6 HB1 -0.0064 -0.0152 0.0003 90 HIS 6 HB2 -0.0046 -0.0189 -0.0002 91 HIS 6 CG -0.0131 -0.0149 -0.0044 92 HIS 6 ND1 -0.0172 -0.0136 -0.0068 93 HIS 6 CD2 -0.0153 -0.0136 -0.0054 94 HIS 6 HD2 -0.0135 -0.0144 -0.0045 95 HIS 6 CE1 -0.0218 -0.0109 -0.0088 96 HIS 6 HE1 -0.0259 -0.0099 -0.0112 97 HIS 6 NE2 -0.0211 -0.0114 -0.0085 98 HIS 6 HE2 -0.0239 -0.0105 -0.0101 99 HIS 6 C -0.0077 -0.0287 -0.0074 100 HIS 6 O -0.0043 -0.0312 -0.0062 101 ASP 7 N -0.0114 -0.0318 -0.0025 102 ASP 7 H -0.0161 -0.0290 -0.0094 103 ASP 7 CA -0.0134 -0.0366 -0.0030 104 ASP 7 HA -0.0073 -0.0357 0.0041 105 ASP 7 CB -0.0187 -0.0503 -0.0037 106 ASP 7 HB1 -0.0159 -0.0559 0.0020 107 ASP 7 HB2 -0.0251 -0.0510 -0.0113 108 ASP 7 CG -0.0192 -0.0563 -0.0019 109 ASP 7 OD1 -0.0123 -0.0548 0.0060 110 ASP 7 OD2 -0.0266 -0.0627 -0.0083 111 ASP 7 C -0.0176 -0.0272 -0.0120 112 ASP 7 O -0.0217 -0.0227 -0.0190 113 SER 8 N -0.0113 -0.0009 -0.0183 114 SER 8 H -0.0124 0.0013 -0.0178 115 SER 8 CA -0.0131 0.0055 -0.0205 116 SER 8 HA -0.0143 0.0040 -0.0158 117 SER 8 CB -0.0167 0.0143 -0.0208 118 SER 8 HB1 -0.0174 0.0190 -0.0239 119 SER 8 HB2 -0.0195 0.0148 -0.0138 120 SER 8 OG -0.0151 0.0149 -0.0257 121 SER 8 HG -0.0160 0.0135 -0.0217 122 SER 8 C -0.0094 0.0052 -0.0298 123 SER 8 O -0.0056 -0.0000 -0.0343 124 GLY 9 N -0.0111 0.0091 -0.0267 125 GLY 9 H -0.0166 0.0104 -0.0235 126 GLY 9 CA -0.0098 0.0095 -0.0311 127 GLY 9 HA1 -0.0148 0.0122 -0.0351 128 GLY 9 HA2 -0.0044 0.0085 -0.0354 129 GLY 9 C -0.0083 0.0076 -0.0246 130 GLY 9 O -0.0013 0.0050 -0.0242 131 TYR 10 N -0.0108 0.0204 -0.0106 132 TYR 10 H -0.0090 0.0182 -0.0088 133 TYR 10 CA -0.0150 0.0191 -0.0112 134 TYR 10 HA -0.0172 0.0214 -0.0132 135 TYR 10 CB -0.0147 0.0190 -0.0111 136 TYR 10 HB1 -0.0179 0.0191 -0.0122 137 TYR 10 HB2 -0.0127 0.0217 -0.0119 138 TYR 10 CG -0.0126 0.0152 -0.0084 139 TYR 10 CD1 -0.0151 0.0122 -0.0075 140 TYR 10 HD1 -0.0186 0.0123 -0.0087 141 TYR 10 CD2 -0.0082 0.0148 -0.0067 142 TYR 10 HD2 -0.0059 0.0167 -0.0070 143 TYR 10 CE1 -0.0130 0.0090 -0.0050 144 TYR 10 HE1 -0.0150 0.0066 -0.0044 145 TYR 10 CE2 -0.0063 0.0116 -0.0043 146 TYR 10 HE2 -0.0031 0.0108 -0.0029 147 TYR 10 CZ -0.0086 0.0087 -0.0035 148 TYR 10 OH -0.0067 0.0057 -0.0012 149 TYR 10 HH -0.0087 0.0043 -0.0010 150 TYR 10 C -0.0179 0.0150 -0.0099 151 TYR 10 O -0.0216 0.0138 -0.0105 152 GLU 11 N -0.0194 0.0109 -0.0068 153 GLU 11 H -0.0166 0.0110 -0.0071 154 GLU 11 CA -0.0204 0.0088 -0.0040 155 GLU 11 HA -0.0219 0.0078 -0.0027 156 GLU 11 CB -0.0169 0.0072 -0.0024 157 GLU 11 HB1 -0.0173 0.0055 -0.0003 158 GLU 11 HB2 -0.0151 0.0080 -0.0036 159 GLU 11 CG -0.0145 0.0066 -0.0019 160 GLU 11 HG1 -0.0135 0.0047 0.0004 161 GLU 11 HG2 -0.0160 0.0071 -0.0024 162 GLU 11 CD -0.0112 0.0082 -0.0041 163 GLU 11 OE1 -0.0081 0.0071 -0.0031 164 GLU 11 OE2 -0.0115 0.0103 -0.0067 165 GLU 11 C -0.0225 0.0092 -0.0044 166 GLU 11 O -0.0221 0.0110 -0.0066 167 VAL 12 N -0.0254 0.0071 -0.0018 168 VAL 12 H -0.0251 0.0059 -0.0009 169 VAL 12 CA -0.0275 0.0073 0.0002 170 VAL 12 HA -0.0275 0.0083 -0.0009 171 VAL 12 CB -0.0300 0.0090 0.0012 172 VAL 12 HB -0.0296 0.0082 0.0015 173 VAL 12 CG1 -0.0324 0.0088 0.0038 174 VAL 12 HG11 -0.0328 0.0092 0.0039 175 VAL 12 HG12 -0.0343 0.0104 0.0042 176 VAL 12 HG13 -0.0321 0.0067 0.0057 177 VAL 12 CG2 -0.0307 0.0120 -0.0012 178 VAL 12 HG21 -0.0312 0.0131 -0.0018 179 VAL 12 HG22 -0.0291 0.0120 -0.0029 180 VAL 12 HG23 -0.0323 0.0131 -0.0006 181 VAL 12 C -0.0271 0.0045 0.0026 182 VAL 12 O -0.0263 0.0029 0.0034 183 HIS 13 N -0.0255 -0.0044 0.0008 184 HIS 13 H -0.0239 -0.0070 -0.0016 185 HIS 13 CA -0.0212 -0.0014 0.0036 186 HIS 13 HA -0.0217 0.0012 0.0059 187 HIS 13 CB -0.0160 -0.0042 0.0012 188 HIS 13 HB1 -0.0170 -0.0060 -0.0004 189 HIS 13 HB2 -0.0146 -0.0069 -0.0012 190 HIS 13 CG -0.0108 -0.0017 0.0036 191 HIS 13 ND1 -0.0109 0.0009 0.0060 192 HIS 13 CD2 -0.0056 -0.0021 0.0035 193 HIS 13 HD2 -0.0039 -0.0038 0.0020 194 HIS 13 CE1 -0.0058 0.0028 0.0078 195 HIS 13 HE1 -0.0041 0.0051 0.0100 196 HIS 13 NE2 -0.0022 0.0010 0.0063 197 HIS 13 HE2 0.0017 0.0024 0.0077 198 HIS 13 C -0.0198 0.0008 0.0056 199 HIS 13 O -0.0168 -0.0012 0.0039 200 HIS 14 N -0.0259 0.0052 0.0061 201 HIS 14 H -0.0238 0.0043 0.0085 202 HIS 14 CA -0.0310 0.0034 0.0087 203 HIS 14 HA -0.0328 0.0044 0.0060 204 HIS 14 CB -0.0352 0.0025 0.0095 205 HIS 14 HB1 -0.0368 0.0040 0.0059 206 HIS 14 HB2 -0.0334 0.0017 0.0116 207 HIS 14 CG -0.0404 0.0005 0.0124 208 HIS 14 ND1 -0.0439 0.0008 0.0110 209 HIS 14 CD2 -0.0425 -0.0017 0.0167 210 HIS 14 HD2 -0.0415 -0.0023 0.0184 211 HIS 14 CE1 -0.0478 -0.0012 0.0143 212 HIS 14 HE1 -0.0516 -0.0013 0.0135 213 HIS 14 NE2 -0.0473 -0.0029 0.0180 214 HIS 14 HE2 -0.0506 -0.0043 0.0203 215 HIS 14 C -0.0287 0.0014 0.0135 216 HIS 14 O -0.0284 -0.0004 0.0176 217 GLN 15 N -0.0172 0.0047 0.0157 218 GLN 15 H -0.0165 0.0021 0.0118 219 GLN 15 CA -0.0113 0.0069 0.0195 220 GLN 15 HA -0.0067 0.0052 0.0174 221 GLN 15 CB -0.0112 0.0104 0.0246 222 GLN 15 HB1 -0.0160 0.0122 0.0268 223 GLN 15 HB2 -0.0076 0.0123 0.0277 224 GLN 15 CG -0.0094 0.0094 0.0233 225 GLN 15 HG1 -0.0064 0.0114 0.0266 226 GLN 15 HG2 -0.0070 0.0065 0.0192 227 GLN 15 CD -0.0154 0.0094 0.0227 228 GLN 15 OE1 -0.0154 0.0075 0.0200 229 GLN 15 NE2 -0.0213 0.0112 0.0249 230 GLN 15 HE21 -0.0250 0.0113 0.0248 231 GLN 15 HE22 -0.0220 0.0127 0.0270 232 GLN 15 C -0.0109 0.0076 0.0206 233 GLN 15 O -0.0057 0.0084 0.0222 234 LYS 16 N -0.0211 0.0037 0.0121 235 LYS 16 H -0.0221 0.0036 0.0119 236 LYS 16 CA -0.0201 0.0038 0.0119 237 LYS 16 HA -0.0192 0.0039 0.0115 238 LYS 16 CB -0.0195 0.0035 0.0134 239 LYS 16 HB1 -0.0185 0.0036 0.0133 240 LYS 16 HB2 -0.0190 0.0033 0.0141 241 LYS 16 CG -0.0206 0.0032 0.0142 242 LYS 16 HG1 -0.0215 0.0031 0.0142 243 LYS 16 HG2 -0.0209 0.0033 0.0136 244 LYS 16 CD -0.0203 0.0029 0.0158 245 LYS 16 HD1 -0.0192 0.0029 0.0159 246 LYS 16 HD2 -0.0201 0.0027 0.0164 247 LYS 16 CE -0.0215 0.0027 0.0162 248 LYS 16 HE1 -0.0225 0.0026 0.0161 249 LYS 16 HE2 -0.0216 0.0028 0.0157 250 LYS 16 NZ -0.0216 0.0023 0.0177 251 LYS 16 HZ1 -0.0217 0.0022 0.0183 252 LYS 16 HZ2 -0.0224 0.0022 0.0180 253 LYS 16 HZ3 -0.0208 0.0023 0.0181 254 LYS 16 C -0.0205 0.0039 0.0110 255 LYS 16 O -0.0218 0.0039 0.0108 256 LEU 17 N -0.0212 0.0024 0.0078 257 LEU 17 H -0.0206 0.0025 0.0079 258 LEU 17 CA -0.0231 0.0012 0.0069 259 LEU 17 HA -0.0227 0.0001 0.0064 260 LEU 17 CB -0.0235 0.0002 0.0063 261 LEU 17 HB1 -0.0229 0.0011 0.0068 262 LEU 17 HB2 -0.0252 0.0001 0.0060 263 LEU 17 CG -0.0223 -0.0018 0.0055 264 LEU 17 HG -0.0207 -0.0017 0.0058 265 LEU 17 CD1 -0.0221 -0.0023 0.0052 266 LEU 17 HD11 -0.0212 -0.0013 0.0059 267 LEU 17 HD12 -0.0237 -0.0024 0.0049 268 LEU 17 HD13 -0.0212 -0.0037 0.0047 269 LEU 17 CD2 -0.0235 -0.0034 0.0044 270 LEU 17 HD21 -0.0252 -0.0033 0.0042 271 LEU 17 HD22 -0.0237 -0.0030 0.0046 272 LEU 17 HD23 -0.0227 -0.0049 0.0038 273 LEU 17 C -0.0252 0.0024 0.0071 274 LEU 17 O -0.0260 0.0035 0.0076 275 VAL 18 N -0.0251 0.0025 0.0043 276 VAL 18 H -0.0265 0.0039 0.0042 277 VAL 18 CA -0.0247 0.0023 0.0042 278 VAL 18 HA -0.0228 0.0012 0.0039 279 VAL 18 CB -0.0264 0.0009 0.0054 280 VAL 18 HB -0.0264 0.0014 0.0052 281 VAL 18 CG1 -0.0259 -0.0019 0.0063 282 VAL 18 HG11 -0.0261 -0.0028 0.0068 283 VAL 18 HG12 -0.0269 -0.0028 0.0071 284 VAL 18 HG13 -0.0239 -0.0023 0.0057 285 VAL 18 CG2 -0.0292 0.0020 0.0061 286 VAL 18 HG21 -0.0295 0.0029 0.0058 287 VAL 18 HG22 -0.0296 0.0035 0.0056 288 VAL 18 HG23 -0.0305 0.0007 0.0071 289 VAL 18 C -0.0243 0.0049 0.0030 290 VAL 18 O -0.0253 0.0067 0.0026 291 PHE 19 N -0.0185 0.0077 0.0006 292 PHE 19 H -0.0174 0.0047 0.0017 293 PHE 19 CA -0.0175 0.0106 -0.0002 294 PHE 19 HA -0.0169 0.0142 -0.0014 295 PHE 19 CB -0.0129 0.0096 0.0006 296 PHE 19 HB1 -0.0132 0.0062 0.0018 297 PHE 19 HB2 -0.0123 0.0110 0.0002 298 PHE 19 CG -0.0084 0.0103 0.0009 299 PHE 19 CD1 -0.0061 0.0144 -0.0002 300 PHE 19 HD1 -0.0079 0.0167 -0.0011 301 PHE 19 CD2 -0.0070 0.0071 0.0022 302 PHE 19 HD2 -0.0087 0.0039 0.0031 303 PHE 19 CE1 -0.0018 0.0152 0.0001 304 PHE 19 HE1 0.0003 0.0182 -0.0007 305 PHE 19 CE2 -0.0031 0.0080 0.0023 306 PHE 19 HE2 -0.0023 0.0057 0.0032 307 PHE 19 CZ -0.0006 0.0121 0.0013 308 PHE 19 HZ 0.0026 0.0129 0.0014 309 PHE 19 C -0.0217 0.0107 -0.0008 310 PHE 19 O -0.0225 0.0137 -0.0019 311 PHE 20 N -0.0251 0.0086 0.0055 312 PHE 20 H -0.0278 0.0064 0.0013 313 PHE 20 CA -0.0207 0.0083 0.0046 314 PHE 20 HA -0.0213 0.0107 0.0095 315 PHE 20 CB -0.0127 0.0077 0.0026 316 PHE 20 HB1 -0.0109 0.0080 0.0030 317 PHE 20 HB2 -0.0098 0.0096 0.0062 318 PHE 20 CG -0.0111 0.0042 -0.0048 319 PHE 20 CD1 -0.0112 0.0035 -0.0062 320 PHE 20 HD1 -0.0129 0.0051 -0.0029 321 PHE 20 CD2 -0.0090 0.0018 -0.0100 322 PHE 20 HD2 -0.0086 0.0025 -0.0086 323 PHE 20 CE1 -0.0103 0.0003 -0.0131 324 PHE 20 HE1 -0.0102 -0.0001 -0.0138 325 PHE 20 CE2 -0.0078 -0.0014 -0.0167 326 PHE 20 HE2 -0.0061 -0.0033 -0.0209 327 PHE 20 CZ -0.0082 -0.0021 -0.0181 328 PHE 20 HZ -0.0069 -0.0044 -0.0231 329 PHE 20 C -0.0252 0.0060 0.0001 330 PHE 20 O -0.0278 0.0034 -0.0051 331 ALA 21 N -0.0321 0.0075 0.0065 332 ALA 21 H -0.0316 0.0118 0.0083 333 ALA 21 CA -0.0376 0.0041 0.0068 334 ALA 21 HA -0.0388 0.0012 0.0059 335 ALA 21 CB -0.0423 0.0081 0.0101 336 ALA 21 HB1 -0.0462 0.0056 0.0102 337 ALA 21 HB2 -0.0433 0.0098 0.0111 338 ALA 21 HB3 -0.0405 0.0116 0.0111 339 ALA 21 C -0.0368 0.0016 0.0055 340 ALA 21 O -0.0406 -0.0022 0.0050 341 GLU 22 N -0.0186 0.0040 -0.0009 342 GLU 22 H -0.0170 0.0057 0.0052 343 GLU 22 CA -0.0069 0.0033 -0.0096 344 GLU 22 HA -0.0061 0.0028 -0.0121 345 GLU 22 CB 0.0053 0.0071 -0.0010 346 GLU 22 HB1 0.0038 0.0094 0.0091 347 GLU 22 HB2 0.0061 0.0078 0.0013 348 GLU 22 CG 0.0200 0.0074 -0.0072 349 GLU 22 HG1 0.0270 0.0102 0.0002 350 GLU 22 HG2 0.0233 0.0058 -0.0155 351 GLU 22 CD 0.0233 0.0068 -0.0116 352 GLU 22 OE1 0.0294 0.0095 -0.0040 353 GLU 22 OE2 0.0215 0.0035 -0.0238 354 GLU 22 C -0.0072 -0.0002 -0.0234 355 GLU 22 O -0.0165 -0.0022 -0.0266 356 ASP 23 N 0.0023 -0.0008 -0.0345 357 ASP 23 H 0.0136 0.0006 -0.0301 358 ASP 23 CA 0.0052 -0.0050 -0.0538 359 ASP 23 HA -0.0081 -0.0072 -0.0617 360 ASP 23 CB 0.0198 -0.0068 -0.0643 361 ASP 23 HB1 0.0121 -0.0073 -0.0653 362 ASP 23 HB2 0.0319 -0.0042 -0.0549 363 ASP 23 CG 0.0263 -0.0109 -0.0841 364 ASP 23 OD1 0.0444 -0.0107 -0.0862 365 ASP 23 OD2 0.0136 -0.0141 -0.0965 366 ASP 23 C 0.0133 -0.0045 -0.0529 367 ASP 23 O 0.0057 -0.0066 -0.0614 368 VAL 24 N 0.0223 -0.0031 -0.0430 369 VAL 24 H 0.0273 -0.0019 -0.0395 370 VAL 24 CA 0.0298 -0.0017 -0.0391 371 VAL 24 HA 0.0259 -0.0040 -0.0478 372 VAL 24 CB 0.0473 -0.0009 -0.0411 373 VAL 24 HB 0.0530 0.0010 -0.0351 374 VAL 24 CG1 0.0519 -0.0046 -0.0583 375 VAL 24 HG11 0.0463 -0.0062 -0.0634 376 VAL 24 HG12 0.0468 -0.0065 -0.0645 377 VAL 24 HG13 0.0645 -0.0041 -0.0598 378 VAL 24 CG2 0.0534 0.0014 -0.0334 379 VAL 24 HG21 0.0658 0.0026 -0.0319 380 VAL 24 HG22 0.0509 -0.0005 -0.0406 381 VAL 24 HG23 0.0478 0.0036 -0.0225 382 VAL 24 C 0.0252 0.0019 -0.0229 383 VAL 24 O 0.0228 0.0041 -0.0128 384 GLY 25 N 0.0186 0.0013 -0.0164 385 GLY 25 H 0.0161 0.0031 -0.0097 386 GLY 25 CA 0.0182 -0.0001 -0.0218 387 GLY 25 HA1 0.0130 -0.0012 -0.0274 388 GLY 25 HA2 0.0254 -0.0010 -0.0245 389 GLY 25 C 0.0138 0.0015 -0.0163 390 GLY 25 O 0.0120 0.0037 -0.0079 391 SER 26 N 0.0116 -0.0019 -0.0127 392 SER 26 H 0.0127 -0.0044 -0.0155 393 SER 26 CA 0.0106 0.0009 -0.0095 394 SER 26 HA 0.0070 0.0029 -0.0096 395 SER 26 CB 0.0112 -0.0007 -0.0113 396 SER 26 HB1 0.0099 0.0017 -0.0090 397 SER 26 HB2 0.0090 -0.0018 -0.0149 398 SER 26 OG 0.0159 -0.0035 -0.0114 399 SER 26 HG 0.0172 -0.0025 -0.0088 400 SER 26 C 0.0136 0.0026 -0.0044 401 SER 26 O 0.0123 0.0054 -0.0014 402 ASN 27 N 0.0189 0.0047 -0.0075 403 ASN 27 H 0.0216 0.0042 -0.0101 404 ASN 27 CA 0.0230 0.0056 -0.0014 405 ASN 27 HA 0.0225 0.0055 -0.0023 406 ASN 27 CB 0.0322 0.0054 -0.0024 407 ASN 27 HB1 0.0349 0.0062 0.0026 408 ASN 27 HB2 0.0335 0.0045 -0.0072 409 ASN 27 CG 0.0349 0.0051 -0.0034 410 ASN 27 OD1 0.0347 0.0060 0.0016 411 ASN 27 ND2 0.0366 0.0039 -0.0106 412 ASN 27 HD21 0.0352 0.0033 -0.0147 413 ASN 27 HD22 0.0389 0.0037 -0.0120 414 ASN 27 C 0.0204 0.0070 0.0066 415 ASN 27 O 0.0220 0.0080 0.0126 416 LYS 28 N 0.0117 0.0089 -0.0010 417 LYS 28 H 0.0110 0.0085 -0.0057 418 LYS 28 CA 0.0078 0.0084 0.0066 419 LYS 28 HA 0.0104 0.0093 0.0122 420 LYS 28 CB 0.0084 0.0085 0.0068 421 LYS 28 HB1 0.0049 0.0075 0.0019 422 LYS 28 HB2 0.0049 0.0080 0.0123 423 LYS 28 CG 0.0169 0.0105 0.0073 424 LYS 28 HG1 0.0195 0.0114 0.0135 425 LYS 28 HG2 0.0213 0.0113 0.0039 426 LYS 28 CD 0.0185 0.0107 0.0050 427 LYS 28 HD1 0.0157 0.0098 -0.0008 428 LYS 28 HD2 0.0153 0.0102 0.0095 429 LYS 28 CE 0.0277 0.0129 0.0052 430 LYS 28 HE1 0.0299 0.0137 0.0112 431 LYS 28 HE2 0.0309 0.0134 0.0014 432 LYS 28 NZ 0.0307 0.0134 0.0024 433 LYS 28 HZ1 0.0272 0.0127 0.0051 434 LYS 28 HZ2 0.0369 0.0149 0.0031 435 LYS 28 HZ3 0.0296 0.0128 -0.0036 436 LYS 28 C -0.0012 0.0064 0.0071 437 LYS 28 O -0.0048 0.0059 0.0138 438 GLY 29 N -0.0009 0.0111 0.0006 439 GLY 29 H -0.0001 0.0089 -0.0006 440 GLY 29 CA -0.0022 0.0105 0.0004 441 GLY 29 HA1 0.0003 0.0112 0.0006 442 GLY 29 HA2 -0.0044 0.0123 0.0016 443 GLY 29 C -0.0037 0.0067 -0.0016 444 GLY 29 O -0.0048 0.0052 -0.0023 445 ALA 30 N -0.0014 0.0078 -0.0027 446 ALA 30 H 0.0027 0.0113 -0.0030 447 ALA 30 CA -0.0022 0.0008 -0.0013 448 ALA 30 HA -0.0085 0.0007 -0.0020 449 ALA 30 CB 0.0002 -0.0062 0.0004 450 ALA 30 HB1 0.0061 -0.0062 0.0010 451 ALA 30 HB2 0.0001 -0.0114 0.0015 452 ALA 30 HB3 -0.0034 -0.0068 0.0002 453 ALA 30 C 0.0010 0.0021 -0.0012 454 ALA 30 O 0.0055 0.0071 -0.0018 455 ILE 31 N 0.0097 -0.0054 0.0111 456 ILE 31 H 0.0037 -0.0112 0.0125 457 ILE 31 CA 0.0154 -0.0051 0.0120 458 ILE 31 HA 0.0185 0.0025 0.0094 459 ILE 31 CB 0.0075 -0.0106 0.0128 460 ILE 31 HB 0.0043 -0.0179 0.0153 461 ILE 31 CG1 -0.0026 -0.0041 0.0085 462 ILE 31 HG11 -0.0002 0.0030 0.0060 463 ILE 31 HG12 -0.0057 -0.0025 0.0073 464 ILE 31 CG2 0.0124 -0.0117 0.0141 465 ILE 31 HG21 0.0192 -0.0166 0.0172 466 ILE 31 HG22 0.0163 -0.0044 0.0118 467 ILE 31 HG23 0.0066 -0.0138 0.0140 468 ILE 31 CD -0.0116 -0.0098 0.0093 469 ILE 31 HD1 -0.0106 -0.0105 0.0098 470 ILE 31 HD2 -0.0186 -0.0049 0.0061 471 ILE 31 HD3 -0.0146 -0.0171 0.0117 472 ILE 31 C 0.0252 -0.0105 0.0158 473 ILE 31 O 0.0258 -0.0197 0.0196 474 ILE 32 N 0.0455 -0.0073 0.0116 475 ILE 32 H 0.0460 0.0079 0.0005 476 ILE 32 CA 0.0659 -0.0170 0.0226 477 ILE 32 HA 0.0607 -0.0333 0.0336 478 ILE 32 CB 0.0716 -0.0068 0.0161 479 ILE 32 HB 0.0793 0.0088 0.0060 480 ILE 32 CG1 0.0461 -0.0062 0.0110 481 ILE 32 HG11 0.0364 -0.0221 0.0208 482 ILE 32 HG12 0.0340 0.0032 0.0018 483 ILE 32 CG2 0.0912 -0.0150 0.0258 484 ILE 32 HG21 0.0865 -0.0315 0.0371 485 ILE 32 HG22 0.0969 -0.0082 0.0218 486 ILE 32 HG23 0.1075 -0.0174 0.0306 487 ILE 32 CD 0.0502 0.0025 0.0053 488 ILE 32 HD1 0.0332 0.0052 0.0001 489 ILE 32 HD2 0.0627 0.0171 -0.0031 490 ILE 32 HD3 0.0592 -0.0079 0.0146 491 ILE 32 C 0.0880 -0.0141 0.0245 492 ILE 32 O 0.1037 0.0022 0.0154 493 GLY 33 N 0.1209 -0.0276 0.0437 494 GLY 33 H 0.1103 -0.0498 0.0407 495 GLY 33 CA 0.1226 -0.0186 0.0440 496 GLY 33 HA1 0.1404 -0.0345 0.0509 497 GLY 33 HA2 0.1306 0.0065 0.0460 498 GLY 33 C 0.0911 -0.0320 0.0332 499 GLY 33 O 0.0741 -0.0566 0.0279 500 LEU 34 N 0.0508 -0.0203 0.0182 501 LEU 34 H 0.0538 -0.0108 0.0295 502 LEU 34 CA 0.0193 -0.0242 0.0023 503 LEU 34 HA 0.0172 -0.0420 -0.0174 504 LEU 34 CB -0.0056 -0.0158 0.0020 505 LEU 34 HB1 -0.0068 0.0033 0.0219 506 LEU 34 HB2 -0.0300 -0.0165 -0.0078 507 LEU 34 CG 0.0046 -0.0293 -0.0086 508 LEU 34 HG 0.0301 -0.0304 -0.0002 509 LEU 34 CD1 -0.0120 -0.0143 0.0012 510 LEU 34 HD11 0.0001 0.0007 0.0217 511 LEU 34 HD12 -0.0392 -0.0081 -0.0023 512 LEU 34 HD13 -0.0095 -0.0248 -0.0090 513 LEU 34 CD2 0.0011 -0.0544 -0.0366 514 LEU 34 HD21 0.0082 -0.0640 -0.0443 515 LEU 34 HD22 -0.0250 -0.0529 -0.0447 516 LEU 34 HD23 0.0145 -0.0649 -0.0428 517 LEU 34 C 0.0048 -0.0102 0.0118 518 LEU 34 O 0.0053 0.0107 0.0343 519 MET 35 N -0.0125 -0.0085 0.0001 520 MET 35 H -0.0123 -0.0140 -0.0095 521 MET 35 CA -0.0182 -0.0041 0.0054 522 MET 35 HA -0.0126 -0.0005 0.0142 523 MET 35 CB -0.0179 -0.0093 -0.0035 524 MET 35 HB1 -0.0077 -0.0136 -0.0069 525 MET 35 HB2 -0.0255 -0.0121 -0.0117 526 MET 35 CG -0.0198 -0.0048 0.0036 527 MET 35 HG1 -0.0290 -0.0003 0.0077 528 MET 35 HG2 -0.0120 -0.0025 0.0109 529 MET 35 SD -0.0187 -0.0090 -0.0033 530 MET 35 CE -0.0239 -0.0009 0.0088 531 MET 35 HE1 -0.0180 -0.0027 0.0079 532 MET 35 HE2 -0.0344 0.0010 0.0077 533 MET 35 HE3 -0.0210 0.0039 0.0183 534 MET 35 C -0.0332 0.0002 0.0068 535 MET 35 O -0.0411 -0.0029 -0.0019 536 VAL 36 N -0.0504 0.0225 0.0229 537 VAL 36 H -0.0357 0.0190 0.0366 538 VAL 36 CA -0.0766 0.0405 0.0318 539 VAL 36 HA -0.0899 0.0427 0.0167 540 VAL 36 CB -0.0761 0.0490 0.0565 541 VAL 36 HB -0.0959 0.0617 0.0605 542 VAL 36 CG1 -0.0713 0.0439 0.0496 543 VAL 36 HG11 -0.0512 0.0315 0.0471 544 VAL 36 HG12 -0.0787 0.0534 0.0648 545 VAL 36 HG13 -0.0812 0.0430 0.0314 546 VAL 36 CG2 -0.0586 0.0488 0.0838 547 VAL 36 HG21 -0.0526 0.0505 0.0981 548 VAL 36 HG22 -0.0404 0.0374 0.0809 549 VAL 36 HG23 -0.0678 0.0577 0.0943 550 VAL 36 C -0.0880 0.0485 0.0359 551 VAL 36 O -0.1089 0.0631 0.0435 552 GLY 37 N -0.0411 0.0229 0.0201 553 GLY 37 H -0.0405 0.0203 0.0205 554 GLY 37 CA -0.0372 0.0209 0.0154 555 GLY 37 HA1 -0.0374 0.0239 0.0142 556 GLY 37 HA2 -0.0364 0.0158 0.0165 557 GLY 37 C -0.0337 0.0218 0.0099 558 GLY 37 O -0.0342 0.0227 0.0103 559 GLY 38 N -0.0213 0.0192 0.0132 560 GLY 38 H -0.0191 0.0203 0.0113 561 GLY 38 CA -0.0190 0.0160 0.0109 562 GLY 38 HA1 -0.0163 0.0192 0.0087 563 GLY 38 HA2 -0.0213 0.0140 0.0129 564 GLY 38 C -0.0165 0.0101 0.0083 565 GLY 38 O -0.0178 0.0083 0.0094 566 VAL 39 N -0.0101 0.0073 0.0084 567 VAL 39 H -0.0099 0.0056 0.0075 568 VAL 39 CA -0.0050 0.0053 0.0064 569 VAL 39 HA -0.0076 0.0053 0.0069 570 VAL 39 CB -0.0030 -0.0016 0.0026 571 VAL 39 HB -0.0003 -0.0017 0.0020 572 VAL 39 CG1 0.0017 -0.0046 0.0002 573 VAL 39 HG11 0.0024 -0.0090 -0.0021 574 VAL 39 HG12 0.0067 -0.0017 0.0006 575 VAL 39 HG13 -0.0007 -0.0053 0.0003 576 VAL 39 CG2 -0.0095 -0.0065 0.0015 577 VAL 39 HG21 -0.0083 -0.0116 -0.0012 578 VAL 39 HG22 -0.0127 -0.0063 0.0023 579 VAL 39 HG23 -0.0127 -0.0053 0.0028 580 VAL 39 C 0.0010 0.0101 0.0075 581 VAL 39 O 0.0030 0.0118 0.0079 582 VAL 40 N 0.0056 0.0145 0.0073 583 VAL 40 H 0.0029 0.0112 0.0069 584 VAL 40 CA 0.0133 0.0205 0.0074 585 VAL 40 HA 0.0178 0.0200 0.0062 586 VAL 40 CB 0.0110 0.0299 0.0111 587 VAL 40 HB 0.0167 0.0340 0.0110 588 VAL 40 CG1 0.0091 0.0348 0.0131 589 VAL 40 HG11 0.0026 0.0327 0.0140 590 VAL 40 HG12 0.0093 0.0419 0.0154 591 VAL 40 HG13 0.0138 0.0339 0.0117 592 VAL 40 CG2 0.0039 0.0308 0.0131 593 VAL 40 HG21 -0.0019 0.0280 0.0136 594 VAL 40 HG22 0.0049 0.0283 0.0120 595 VAL 40 HG23 0.0025 0.0377 0.0157 596 VAL 40 C 0.0191 0.0172 0.0049 597 VAL 40 O1 0.0163 0.0120 0.0039 598 VAL 40 O2 0.0272 0.0188 0.0035