1 ASP 28 N 0.0088 0.0079 -0.0513 2 ASP 28 CA -0.0002 0.0103 -0.0413 3 ASP 28 C -0.0012 0.0024 -0.0338 4 ASP 28 O 0.0019 0.0010 -0.0369 5 ASP 28 CB -0.0061 0.0227 -0.0429 6 ASP 28 CG -0.0155 0.0259 -0.0329 7 ASP 28 OD1 -0.0190 0.0261 -0.0283 8 ASP 28 OD2 -0.0195 0.0289 -0.0299 9 ASP 28 H 0.0097 0.0133 -0.0566 10 ASP 28 HA -0.0017 0.0089 -0.0381 11 ASP 28 HB2 -0.0053 0.0282 -0.0482 12 ASP 28 HB3 -0.0043 0.0241 -0.0462 13 PRO 29 N 0.0028 -0.0167 0.0068 14 PRO 29 CA 0.0055 -0.0062 -0.0035 15 PRO 29 C -0.0089 0.0071 -0.0345 16 PRO 29 O -0.0326 -0.0025 -0.0462 17 PRO 29 CB -0.0085 -0.0280 0.0097 18 PRO 29 CG -0.0104 -0.0482 0.0330 19 PRO 29 CD -0.0120 -0.0433 0.0253 20 PRO 29 HA 0.0268 0.0059 0.0026 21 PRO 29 HB2 -0.0283 -0.0316 -0.0055 22 PRO 29 HB3 0.0037 -0.0238 0.0166 23 PRO 29 HG2 -0.0286 -0.0652 0.0360 24 PRO 29 HG3 0.0076 -0.0485 0.0514 25 PRO 29 HD2 -0.0331 -0.0519 0.0150 26 PRO 29 HD3 -0.0016 -0.0496 0.0435 27 ASN 30 N -0.0134 0.0375 -0.0503 28 ASN 30 CA -0.0122 0.0379 -0.0597 29 ASN 30 C -0.0055 0.0173 -0.0426 30 ASN 30 O 0.0056 -0.0046 -0.0520 31 ASN 30 CB -0.0064 0.0350 -0.0924 32 ASN 30 CG -0.0044 0.0345 -0.1049 33 ASN 30 OD1 -0.0125 0.0552 -0.1130 34 ASN 30 ND2 0.0062 0.0113 -0.1073 35 ASN 30 H -0.0215 0.0544 -0.0457 36 ASN 30 HA -0.0214 0.0573 -0.0553 37 ASN 30 HB2 -0.0123 0.0517 -0.1027 38 ASN 30 HB3 0.0022 0.0169 -0.0957 39 ASN 30 HD21 0.0125 -0.0047 -0.1010 40 ASN 30 HD22 0.0076 0.0107 -0.1150 41 ALA 31 N -0.0150 0.0134 -0.0060 42 ALA 31 CA -0.0122 0.0068 0.0028 43 ALA 31 C -0.0229 0.0032 0.0092 44 ALA 31 O -0.0293 0.0042 0.0086 45 ALA 31 CB -0.0064 0.0075 0.0011 46 ALA 31 H -0.0232 0.0151 -0.0075 47 ALA 31 HA -0.0062 0.0039 0.0062 48 ALA 31 HB1 -0.0041 0.0026 0.0077 49 ALA 31 HB2 -0.0123 0.0104 -0.0022 50 ALA 31 HB3 0.0013 0.0101 -0.0034 51 GLU 32 N -0.0170 -0.0265 0.0044 52 GLU 32 CA -0.0252 -0.0378 0.0036 53 GLU 32 C -0.0181 -0.0291 0.0100 54 GLU 32 O -0.0223 -0.0344 0.0066 55 GLU 32 CB -0.0345 -0.0532 0.0176 56 GLU 32 CG -0.0294 -0.0502 0.0399 57 GLU 32 CD -0.0392 -0.0661 0.0528 58 GLU 32 OE1 -0.0438 -0.0736 0.0600 59 GLU 32 OE2 -0.0426 -0.0714 0.0560 60 GLU 32 H -0.0163 -0.0278 0.0165 61 GLU 32 HA -0.0296 -0.0410 -0.0118 62 GLU 32 HB2 -0.0406 -0.0613 0.0163 63 GLU 32 HB3 -0.0393 -0.0589 0.0124 64 GLU 32 HG2 -0.0236 -0.0424 0.0415 65 GLU 32 HG3 -0.0243 -0.0440 0.0450 66 PHE 33 N -0.0069 -0.0139 0.0293 67 PHE 33 CA -0.0027 -0.0123 0.0333 68 PHE 33 C 0.0000 -0.0027 0.0263 69 PHE 33 O -0.0003 0.0030 0.0193 70 PHE 33 CB 0.0051 -0.0120 0.0441 71 PHE 33 CG 0.0111 -0.0049 0.0444 72 PHE 33 CD1 0.0173 0.0048 0.0420 73 PHE 33 CD2 0.0105 -0.0080 0.0471 74 PHE 33 CE1 0.0227 0.0113 0.0423 75 PHE 33 CE2 0.0158 -0.0016 0.0473 76 PHE 33 CZ 0.0220 0.0081 0.0449 77 PHE 33 H -0.0036 -0.0103 0.0298 78 PHE 33 HA -0.0071 -0.0182 0.0339 79 PHE 33 HB2 0.0087 -0.0099 0.0467 80 PHE 33 HB3 0.0030 -0.0192 0.0493 81 PHE 33 HD1 0.0179 0.0074 0.0400 82 PHE 33 HD2 0.0057 -0.0156 0.0490 83 PHE 33 HE1 0.0275 0.0188 0.0404 84 PHE 33 HE2 0.0153 -0.0041 0.0494 85 PHE 33 HZ 0.0261 0.0131 0.0450 86 ASP 34 N 0.0014 0.0028 0.0309 87 ASP 34 CA -0.0029 0.0032 0.0321 88 ASP 34 C -0.0033 0.0025 0.0313 89 ASP 34 O -0.0019 0.0003 0.0287 90 ASP 34 CB -0.0062 0.0013 0.0305 91 ASP 34 CG -0.0107 0.0019 0.0320 92 ASP 34 OD1 -0.0124 0.0011 0.0313 93 ASP 34 OD2 -0.0125 0.0034 0.0339 94 ASP 34 H 0.0019 0.0008 0.0286 95 ASP 34 HA -0.0033 0.0055 0.0346 96 ASP 34 HB2 -0.0056 0.0016 0.0308 97 ASP 34 HB3 -0.0060 -0.0009 0.0280 98 PRO 35 N -0.0004 0.0163 0.0274 99 PRO 35 CA 0.0049 0.0192 0.0303 100 PRO 35 C 0.0019 0.0186 0.0287 101 PRO 35 O 0.0058 0.0211 0.0308 102 PRO 35 CB 0.0062 0.0285 0.0314 103 PRO 35 CG -0.0015 0.0314 0.0276 104 PRO 35 CD -0.0047 0.0237 0.0255 105 PRO 35 HA 0.0103 0.0156 0.0329 106 PRO 35 HB2 0.0078 0.0322 0.0323 107 PRO 35 HB3 0.0107 0.0289 0.0337 108 PRO 35 HG2 -0.0052 0.0335 0.0258 109 PRO 35 HG3 -0.0007 0.0367 0.0282 110 PRO 35 HD2 -0.0108 0.0232 0.0224 111 PRO 35 HD3 -0.0036 0.0240 0.0261 112 ASP 36 N -0.0181 -0.0024 0.0338 113 ASP 36 CA -0.0260 -0.0128 0.0329 114 ASP 36 C -0.0242 -0.0166 0.0249 115 ASP 36 O -0.0279 -0.0255 0.0190 116 ASP 36 CB -0.0333 -0.0136 0.0442 117 ASP 36 CG -0.0415 -0.0241 0.0438 118 ASP 36 OD1 -0.0459 -0.0305 0.0425 119 ASP 36 OD2 -0.0437 -0.0261 0.0447 120 ASP 36 H -0.0164 0.0030 0.0382 121 ASP 36 HA -0.0278 -0.0173 0.0300 122 ASP 36 HB2 -0.0346 -0.0112 0.0496 123 ASP 36 HB3 -0.0312 -0.0086 0.0475 124 LEU 37 N -0.0179 -0.0052 0.0261 125 LEU 37 CA -0.0158 -0.0052 0.0193 126 LEU 37 C -0.0131 -0.0047 0.0141 127 LEU 37 O -0.0090 -0.0029 0.0160 128 LEU 37 CB -0.0107 -0.0031 0.0200 129 LEU 37 CG -0.0133 -0.0038 0.0231 130 LEU 37 CD1 -0.0188 -0.0064 0.0186 131 LEU 37 CD2 -0.0159 -0.0039 0.0309 132 LEU 37 H -0.0146 -0.0035 0.0299 133 LEU 37 HA -0.0203 -0.0072 0.0171 134 LEU 37 HB2 -0.0069 -0.0013 0.0235 135 LEU 37 HB3 -0.0083 -0.0028 0.0148 136 LEU 37 HG -0.0092 -0.0022 0.0229 137 LEU 37 HD11 -0.0205 -0.0068 0.0208 138 LEU 37 HD12 -0.0230 -0.0081 0.0185 139 LEU 37 HD13 -0.0168 -0.0063 0.0132 140 LEU 37 HD21 -0.0177 -0.0044 0.0328 141 LEU 37 HD22 -0.0118 -0.0020 0.0342 142 LEU 37 HD23 -0.0199 -0.0054 0.0313 143 PRO 38 N -0.0168 -0.0054 0.0082 144 PRO 38 CA -0.0149 -0.0048 0.0023 145 PRO 38 C -0.0078 -0.0014 0.0009 146 PRO 38 O -0.0050 -0.0001 0.0006 147 PRO 38 CB -0.0184 -0.0069 -0.0040 148 PRO 38 CG -0.0238 -0.0093 -0.0008 149 PRO 38 CD -0.0214 -0.0078 0.0061 150 PRO 38 HA -0.0163 -0.0054 0.0032 151 PRO 38 HB2 -0.0152 -0.0055 -0.0070 152 PRO 38 HB3 -0.0201 -0.0079 -0.0073 153 PRO 38 HG2 -0.0250 -0.0101 -0.0042 154 PRO 38 HG3 -0.0278 -0.0112 0.0001 155 PRO 38 HD2 -0.0192 -0.0067 0.0054 156 PRO 38 HD3 -0.0253 -0.0095 0.0099 157 GLY 39 N -0.0062 -0.0004 -0.0000 158 GLY 39 CA -0.0020 0.0024 -0.0009 159 GLY 39 C 0.0003 0.0039 0.0036 160 GLY 39 O 0.0038 0.0063 0.0036 161 GLY 39 H -0.0078 -0.0015 -0.0001 162 GLY 39 HA2 -0.0014 0.0029 -0.0027 163 GLY 39 HA3 -0.0011 0.0031 -0.0032 164 GLY 40 N -0.0001 -0.0002 0.0182 165 GLY 40 CA 0.0017 0.0003 0.0219 166 GLY 40 C 0.0023 0.0003 0.0211 167 GLY 40 O 0.0042 0.0008 0.0237 168 GLY 40 H -0.0031 -0.0005 0.0184 169 GLY 40 HA2 -0.0005 0.0003 0.0248 170 GLY 40 HA3 0.0049 0.0007 0.0227 171 GLY 41 N 0.0011 0.0019 0.0139 172 GLY 41 CA 0.0027 0.0023 0.0126 173 GLY 41 C 0.0087 0.0037 0.0106 174 GLY 41 O 0.0111 0.0043 0.0100 175 GLY 41 H -0.0015 0.0016 0.0114 176 GLY 41 HA2 -0.0000 0.0020 0.0093 177 GLY 41 HA3 0.0024 0.0019 0.0163 178 LEU 42 N 0.0041 0.0071 0.0099 179 LEU 42 CA 0.0098 0.0067 0.0087 180 LEU 42 C 0.0100 0.0105 0.0026 181 LEU 42 O 0.0150 0.0108 0.0006 182 LEU 42 CB 0.0092 0.0037 0.0134 183 LEU 42 CG 0.0090 -0.0004 0.0198 184 LEU 42 CD1 0.0083 -0.0029 0.0239 185 LEU 42 CD2 0.0154 -0.0024 0.0207 186 LEU 42 H -0.0003 0.0069 0.0117 187 LEU 42 HA 0.0145 0.0054 0.0090 188 LEU 42 HB2 0.0046 0.0050 0.0129 189 LEU 42 HB3 0.0135 0.0035 0.0123 190 LEU 42 HG 0.0046 -0.0001 0.0208 191 LEU 42 HD11 0.0083 -0.0058 0.0284 192 LEU 42 HD12 0.0126 -0.0031 0.0228 193 LEU 42 HD13 0.0036 -0.0016 0.0235 194 LEU 42 HD21 0.0199 -0.0026 0.0195 195 LEU 42 HD22 0.0151 -0.0053 0.0253 196 LEU 42 HD23 0.0156 -0.0006 0.0180 197 HIS 43 N 0.0058 0.0097 -0.0063 198 HIS 43 CA 0.0058 0.0111 -0.0097 199 HIS 43 C 0.0048 0.0088 -0.0083 200 HIS 43 O 0.0026 0.0050 -0.0090 201 HIS 43 CB 0.0042 0.0102 -0.0147 202 HIS 43 CG 0.0048 0.0119 -0.0164 203 HIS 43 ND1 0.0066 0.0160 -0.0184 204 HIS 43 CD2 0.0037 0.0101 -0.0164 205 HIS 43 CE1 0.0066 0.0166 -0.0196 206 HIS 43 NE2 0.0049 0.0131 -0.0185 207 HIS 43 H 0.0043 0.0067 -0.0055 208 HIS 43 HA 0.0076 0.0144 -0.0097 209 HIS 43 HB2 0.0023 0.0068 -0.0150 210 HIS 43 HB3 0.0044 0.0116 -0.0171 211 HIS 43 HD1 0.0077 0.0182 -0.0188 212 HIS 43 HD2 0.0023 0.0068 -0.0151 213 HIS 43 HE1 0.0078 0.0195 -0.0214 214 HIS 43 HE2 0.0048 0.0129 -0.0184 215 ARG 44 N 0.0096 0.0039 -0.0104 216 ARG 44 CA 0.0072 0.0052 -0.0141 217 ARG 44 C 0.0095 0.0056 -0.0195 218 ARG 44 O 0.0140 0.0044 -0.0203 219 ARG 44 CB 0.0085 0.0047 -0.0128 220 ARG 44 CG 0.0079 0.0039 -0.0072 221 ARG 44 CD 0.0098 0.0032 -0.0065 222 ARG 44 NE 0.0097 0.0023 -0.0011 223 ARG 44 CZ 0.0106 0.0018 0.0004 224 ARG 44 NH1 0.0118 0.0021 -0.0032 225 ARG 44 NH2 0.0103 0.0010 0.0054 226 ARG 44 H 0.0134 0.0029 -0.0103 227 ARG 44 HA 0.0031 0.0063 -0.0138 228 ARG 44 HB2 0.0124 0.0039 -0.0143 229 ARG 44 HB3 0.0060 0.0058 -0.0151 230 ARG 44 HG2 0.0039 0.0047 -0.0059 231 ARG 44 HG3 0.0102 0.0028 -0.0050 232 ARG 44 HD2 0.0137 0.0024 -0.0081 233 ARG 44 HD3 0.0074 0.0043 -0.0087 234 ARG 44 HE 0.0088 0.0021 0.0016 235 ARG 44 HH11 0.0121 0.0027 -0.0071 236 ARG 44 HH12 0.0126 0.0017 -0.0023 237 ARG 44 HH21 0.0094 0.0008 0.0083 238 ARG 44 HH22 0.0110 0.0006 0.0066 239 CYS 45 N 0.0044 0.0025 -0.0191 240 CYS 45 CA 0.0042 0.0019 -0.0193 241 CYS 45 C 0.0049 0.0025 -0.0231 242 CYS 45 O 0.0062 0.0052 -0.0243 243 CYS 45 CB 0.0049 0.0042 -0.0167 244 CYS 45 SG 0.0048 0.0040 -0.0174 245 CYS 45 H 0.0053 0.0047 -0.0189 246 CYS 45 HA 0.0031 -0.0006 -0.0187 247 CYS 45 HB2 0.0042 0.0035 -0.0141 248 CYS 45 HB3 0.0059 0.0067 -0.0169 249 LEU 46 N 0.0107 -0.0020 -0.0259 250 LEU 46 CA 0.0119 -0.0020 -0.0314 251 LEU 46 C 0.0129 0.0021 -0.0338 252 LEU 46 O 0.0140 0.0048 -0.0373 253 LEU 46 CB 0.0119 -0.0074 -0.0337 254 LEU 46 CG 0.0111 -0.0116 -0.0318 255 LEU 46 CD1 0.0111 -0.0169 -0.0340 256 LEU 46 CD2 0.0115 -0.0105 -0.0331 257 LEU 46 H 0.0100 -0.0052 -0.0244 258 LEU 46 HA 0.0122 -0.0009 -0.0321 259 LEU 46 HB2 0.0116 -0.0085 -0.0329 260 LEU 46 HB3 0.0129 -0.0072 -0.0378 261 LEU 46 HG 0.0101 -0.0116 -0.0278 262 LEU 46 HD11 0.0107 -0.0178 -0.0328 263 LEU 46 HD12 0.0105 -0.0199 -0.0327 264 LEU 46 HD13 0.0120 -0.0168 -0.0381 265 LEU 46 HD21 0.0114 -0.0069 -0.0312 266 LEU 46 HD22 0.0124 -0.0101 -0.0371 267 LEU 46 HD23 0.0109 -0.0136 -0.0318 268 ALA 47 N 0.0074 -0.0056 -0.0218 269 ALA 47 CA 0.0094 -0.0041 -0.0199 270 ALA 47 C 0.0151 0.0014 -0.0192 271 ALA 47 O 0.0173 0.0036 -0.0191 272 ALA 47 CB 0.0080 -0.0075 -0.0133 273 ALA 47 H 0.0058 -0.0082 -0.0187 274 ALA 47 HA 0.0077 -0.0047 -0.0238 275 ALA 47 HB1 0.0093 -0.0066 -0.0120 276 ALA 47 HB2 0.0097 -0.0070 -0.0093 277 ALA 47 HB3 0.0040 -0.0114 -0.0138 278 CYS 48 N 0.0091 0.0094 -0.0304 279 CYS 48 CA 0.0095 0.0149 -0.0291 280 CYS 48 C 0.0098 0.0163 -0.0308 281 CYS 48 O 0.0103 0.0210 -0.0309 282 CYS 48 CB 0.0089 0.0164 -0.0232 283 CYS 48 SG 0.0087 0.0161 -0.0217 284 CYS 48 H 0.0085 0.0064 -0.0286 285 CYS 48 HA 0.0100 0.0173 -0.0316 286 CYS 48 HB2 0.0083 0.0139 -0.0201 287 CYS 48 HB3 0.0092 0.0206 -0.0225 288 ALA 49 N 0.0084 0.0154 -0.0322 289 ALA 49 CA 0.0083 0.0141 -0.0311 290 ALA 49 C 0.0045 0.0166 -0.0247 291 ALA 49 O 0.0036 0.0180 -0.0237 292 ALA 49 CB 0.0099 0.0174 -0.0371 293 ALA 49 H 0.0100 0.0115 -0.0326 294 ALA 49 HA 0.0101 0.0086 -0.0306 295 ALA 49 HB1 0.0081 0.0230 -0.0377 296 ALA 49 HB2 0.0126 0.0155 -0.0416 297 ALA 49 HB3 0.0100 0.0162 -0.0363 298 ARG 50 N 0.0073 0.0111 -0.0252 299 ARG 50 CA 0.0027 0.0127 -0.0200 300 ARG 50 C 0.0006 0.0065 -0.0156 301 ARG 50 O 0.0014 0.0027 -0.0154 302 ARG 50 CB -0.0003 0.0191 -0.0181 303 ARG 50 CG 0.0014 0.0259 -0.0221 304 ARG 50 CD -0.0018 0.0320 -0.0200 305 ARG 50 NE -0.0002 0.0386 -0.0239 306 ARG 50 CZ -0.0021 0.0446 -0.0232 307 ARG 50 NH1 -0.0058 0.0450 -0.0186 308 ARG 50 NH2 -0.0004 0.0502 -0.0270 309 ARG 50 H 0.0077 0.0107 -0.0257 310 ARG 50 HA 0.0030 0.0138 -0.0206 311 ARG 50 HB2 -0.0004 0.0181 -0.0176 312 ARG 50 HB3 -0.0036 0.0199 -0.0141 313 ARG 50 HG2 0.0015 0.0271 -0.0226 314 ARG 50 HG3 0.0048 0.0252 -0.0262 315 ARG 50 HD2 -0.0019 0.0308 -0.0194 316 ARG 50 HD3 -0.0051 0.0327 -0.0160 317 ARG 50 HE 0.0025 0.0383 -0.0271 318 ARG 50 HH11 -0.0073 0.0409 -0.0156 319 ARG 50 HH12 -0.0074 0.0494 -0.0179 320 ARG 50 HH21 0.0024 0.0502 -0.0304 321 ARG 50 HH22 -0.0017 0.0547 -0.0266 322 TYR 51 N -0.0058 0.0041 -0.0118 323 TYR 51 CA -0.0044 0.0036 -0.0092 324 TYR 51 C -0.0068 0.0038 -0.0108 325 TYR 51 O -0.0110 0.0035 -0.0113 326 TYR 51 CB -0.0056 0.0022 -0.0045 327 TYR 51 CG -0.0037 0.0019 -0.0028 328 TYR 51 CD1 -0.0061 0.0018 -0.0033 329 TYR 51 CD2 0.0005 0.0017 -0.0007 330 TYR 51 CE1 -0.0043 0.0015 -0.0018 331 TYR 51 CE2 0.0023 0.0014 0.0008 332 TYR 51 CZ -0.0002 0.0013 0.0003 333 TYR 51 OH 0.0015 0.0010 0.0018 334 TYR 51 H -0.0089 0.0037 -0.0112 335 TYR 51 HA -0.0007 0.0039 -0.0094 336 TYR 51 HB2 -0.0093 0.0018 -0.0044 337 TYR 51 HB3 -0.0044 0.0017 -0.0025 338 TYR 51 HD1 -0.0094 0.0019 -0.0050 339 TYR 51 HD2 0.0024 0.0017 -0.0003 340 TYR 51 HE1 -0.0063 0.0015 -0.0022 341 TYR 51 HE2 0.0055 0.0012 0.0025 342 TYR 51 HH -0.0010 0.0005 0.0032 343 PHE 52 N 0.0027 0.0031 -0.0156 344 PHE 52 CA 0.0013 0.0035 -0.0159 345 PHE 52 C -0.0000 0.0023 -0.0171 346 PHE 52 O -0.0004 0.0019 -0.0175 347 PHE 52 CB 0.0003 0.0052 -0.0150 348 PHE 52 CG 0.0015 0.0065 -0.0138 349 PHE 52 CD1 0.0026 0.0069 -0.0131 350 PHE 52 CD2 0.0016 0.0073 -0.0132 351 PHE 52 CE1 0.0037 0.0080 -0.0120 352 PHE 52 CE2 0.0027 0.0084 -0.0120 353 PHE 52 CZ 0.0038 0.0088 -0.0114 354 PHE 52 H 0.0024 0.0033 -0.0156 355 PHE 52 HA 0.0019 0.0033 -0.0158 356 PHE 52 HB2 -0.0004 0.0054 -0.0151 357 PHE 52 HB3 -0.0008 0.0055 -0.0152 358 PHE 52 HD1 0.0025 0.0063 -0.0136 359 PHE 52 HD2 0.0008 0.0070 -0.0137 360 PHE 52 HE1 0.0045 0.0083 -0.0115 361 PHE 52 HE2 0.0028 0.0090 -0.0116 362 PHE 52 HZ 0.0047 0.0097 -0.0105 363 ILE 53 N -0.0008 -0.0038 -0.0202 364 ILE 53 CA 0.0011 -0.0007 -0.0235 365 ILE 53 C 0.0036 0.0058 -0.0263 366 ILE 53 O 0.0047 0.0103 -0.0267 367 ILE 53 CB 0.0021 -0.0056 -0.0288 368 ILE 53 CG1 0.0034 -0.0079 -0.0336 369 ILE 53 CG2 -0.0003 -0.0115 -0.0259 370 ILE 53 CD1 0.0045 -0.0126 -0.0391 371 ILE 53 H -0.0011 -0.0082 -0.0219 372 ILE 53 HA -0.0000 0.0003 -0.0200 373 ILE 53 HB 0.0036 -0.0029 -0.0312 374 ILE 53 HG12 0.0019 -0.0105 -0.0312 375 ILE 53 HG13 0.0051 -0.0036 -0.0356 376 ILE 53 HG21 -0.0019 -0.0141 -0.0232 377 ILE 53 HG22 -0.0011 -0.0097 -0.0228 378 ILE 53 HG23 0.0004 -0.0149 -0.0297 379 ILE 53 HD11 0.0061 -0.0100 -0.0418 380 ILE 53 HD12 0.0054 -0.0140 -0.0422 381 ILE 53 HD13 0.0029 -0.0170 -0.0373 382 ASP 54 N 0.0055 0.0054 -0.0305 383 ASP 54 CA 0.0053 0.0112 -0.0334 384 ASP 54 C 0.0040 0.0133 -0.0297 385 ASP 54 O 0.0038 0.0093 -0.0265 386 ASP 54 CB 0.0074 0.0101 -0.0402 387 ASP 54 CG 0.0074 0.0160 -0.0437 388 ASP 54 OD1 0.0074 0.0198 -0.0461 389 ASP 54 OD2 0.0074 0.0168 -0.0442 390 ASP 54 H 0.0054 0.0024 -0.0283 391 ASP 54 HA 0.0047 0.0149 -0.0333 392 ASP 54 HB2 0.0083 0.0084 -0.0426 393 ASP 54 HB3 0.0080 0.0064 -0.0403 394 SER 55 N 0.0011 0.0165 -0.0328 395 SER 55 CA -0.0024 0.0174 -0.0280 396 SER 55 C -0.0004 0.0144 -0.0259 397 SER 55 O -0.0018 0.0129 -0.0207 398 SER 55 CB -0.0067 0.0225 -0.0299 399 SER 55 OG -0.0103 0.0236 -0.0255 400 SER 55 H 0.0006 0.0190 -0.0365 401 SER 55 HA -0.0036 0.0166 -0.0245 402 SER 55 HB2 -0.0082 0.0245 -0.0308 403 SER 55 HB3 -0.0057 0.0236 -0.0337 404 SER 55 HG -0.0097 0.0232 -0.0258 405 THR 56 N -0.0002 0.0137 -0.0301 406 THR 56 CA 0.0030 0.0106 -0.0253 407 THR 56 C 0.0081 0.0066 -0.0203 408 THR 56 O 0.0080 0.0041 -0.0136 409 THR 56 CB 0.0074 0.0107 -0.0301 410 THR 56 OG1 0.0028 0.0146 -0.0354 411 THR 56 CG2 0.0098 0.0079 -0.0253 412 THR 56 H 0.0013 0.0153 -0.0356 413 THR 56 HA -0.0016 0.0111 -0.0217 414 THR 56 HB 0.0123 0.0099 -0.0331 415 THR 56 HG1 0.0032 0.0161 -0.0396 416 THR 56 HG21 0.0130 0.0080 -0.0288 417 THR 56 HG22 0.0049 0.0086 -0.0222 418 THR 56 HG23 0.0133 0.0049 -0.0213 419 ASN 57 N 0.0063 0.0096 -0.0256 420 ASN 57 CA 0.0096 0.0053 -0.0219 421 ASN 57 C 0.0087 0.0064 -0.0154 422 ASN 57 O 0.0103 0.0044 -0.0110 423 ASN 57 CB 0.0126 0.0014 -0.0246 424 ASN 57 CG 0.0148 -0.0015 -0.0296 425 ASN 57 OD1 0.0177 -0.0052 -0.0284 426 ASN 57 ND2 0.0136 0.0000 -0.0352 427 ASN 57 H 0.0061 0.0097 -0.0286 428 ASN 57 HA 0.0106 0.0040 -0.0218 429 ASN 57 HB2 0.0112 0.0032 -0.0265 430 ASN 57 HB3 0.0144 -0.0009 -0.0210 431 ASN 57 HD21 0.0113 0.0029 -0.0362 432 ASN 57 HD22 0.0150 -0.0019 -0.0385 433 LEU 58 N 0.0049 0.0069 -0.0156 434 LEU 58 CA 0.0034 0.0068 -0.0143 435 LEU 58 C 0.0016 0.0065 -0.0112 436 LEU 58 O 0.0020 0.0060 -0.0089 437 LEU 58 CB 0.0013 0.0075 -0.0169 438 LEU 58 CG -0.0010 0.0076 -0.0159 439 LEU 58 CD1 -0.0040 0.0077 -0.0144 440 LEU 58 CD2 0.0007 0.0070 -0.0138 441 LEU 58 H 0.0042 0.0073 -0.0176 442 LEU 58 HA 0.0052 0.0065 -0.0137 443 LEU 58 HB2 0.0028 0.0077 -0.0187 444 LEU 58 HB3 -0.0001 0.0079 -0.0179 445 LEU 58 HG -0.0018 0.0081 -0.0179 446 LEU 58 HD11 -0.0055 0.0077 -0.0138 447 LEU 58 HD12 -0.0034 0.0072 -0.0123 448 LEU 58 HD13 -0.0052 0.0081 -0.0160 449 LEU 58 HD21 0.0013 0.0066 -0.0116 450 LEU 58 HD22 -0.0010 0.0071 -0.0132 451 LEU 58 HD23 0.0027 0.0070 -0.0150 452 LYS 59 N -0.0010 0.0057 -0.0102 453 LYS 59 CA -0.0056 0.0024 -0.0025 454 LYS 59 C 0.0000 0.0030 0.0058 455 LYS 59 O -0.0018 0.0010 0.0118 456 LYS 59 CB -0.0120 -0.0003 -0.0018 457 LYS 59 CG -0.0087 0.0008 -0.0008 458 LYS 59 CD -0.0155 -0.0019 -0.0009 459 LYS 59 CE -0.0208 -0.0055 0.0068 460 LYS 59 NZ -0.0161 -0.0053 0.0150 461 LYS 59 H -0.0015 0.0063 -0.0141 462 LYS 59 HA -0.0087 0.0013 -0.0032 463 LYS 59 HB2 -0.0156 -0.0028 0.0036 464 LYS 59 HB3 -0.0160 -0.0007 -0.0076 465 LYS 59 HG2 -0.0049 0.0034 -0.0060 466 LYS 59 HG3 -0.0050 0.0011 0.0052 467 LYS 59 HD2 -0.0194 -0.0023 -0.0067 468 LYS 59 HD3 -0.0129 -0.0008 -0.0010 469 LYS 59 HE2 -0.0233 -0.0065 0.0069 470 LYS 59 HE3 -0.0257 -0.0073 0.0059 471 LYS 59 HZ1 -0.0140 -0.0045 0.0152 472 LYS 59 HZ2 -0.0199 -0.0078 0.0200 473 LYS 59 HZ3 -0.0112 -0.0036 0.0163 474 THR 60 N 0.0010 0.0034 0.0023 475 THR 60 CA 0.0076 0.0048 0.0105 476 THR 60 C 0.0112 0.0066 0.0105 477 THR 60 O 0.0136 0.0062 0.0180 478 THR 60 CB 0.0151 0.0085 0.0103 479 THR 60 OG1 0.0114 0.0067 0.0105 480 THR 60 CG2 0.0220 0.0100 0.0187 481 THR 60 H 0.0021 0.0050 -0.0027 482 THR 60 HA 0.0043 0.0019 0.0169 483 THR 60 HB 0.0179 0.0113 0.0037 484 THR 60 HG1 0.0082 0.0064 0.0044 485 THR 60 HG21 0.0272 0.0126 0.0182 486 THR 60 HG22 0.0190 0.0072 0.0253 487 THR 60 HG23 0.0248 0.0114 0.0186 488 HIS 61 N 0.0057 0.0059 0.0044 489 HIS 61 CA 0.0058 0.0069 0.0027 490 HIS 61 C 0.0033 0.0041 0.0032 491 HIS 61 O 0.0038 0.0045 0.0034 492 HIS 61 CB 0.0055 0.0089 -0.0016 493 HIS 61 CG 0.0045 0.0092 -0.0040 494 HIS 61 ND1 0.0063 0.0108 -0.0037 495 HIS 61 CD2 0.0016 0.0078 -0.0065 496 HIS 61 CE1 0.0046 0.0104 -0.0059 497 HIS 61 NE2 0.0018 0.0086 -0.0077 498 HIS 61 H 0.0052 0.0063 0.0027 499 HIS 61 HA 0.0081 0.0082 0.0042 500 HIS 61 HB2 0.0078 0.0112 -0.0018 501 HIS 61 HB3 0.0039 0.0080 -0.0029 502 HIS 61 HD1 0.0085 0.0121 -0.0020 503 HIS 61 HD2 -0.0004 0.0064 -0.0075 504 HIS 61 HE1 0.0050 0.0111 -0.0065 505 PHE 62 N 0.0011 0.0007 0.0063 506 PHE 62 CA -0.0009 -0.0008 0.0074 507 PHE 62 C -0.0007 -0.0016 0.0112 508 PHE 62 O -0.0023 -0.0029 0.0126 509 PHE 62 CB -0.0042 -0.0025 0.0059 510 PHE 62 CG -0.0047 -0.0019 0.0021 511 PHE 62 CD1 -0.0036 -0.0007 -0.0002 512 PHE 62 CD2 -0.0062 -0.0025 0.0008 513 PHE 62 CE1 -0.0041 -0.0002 -0.0037 514 PHE 62 CE2 -0.0067 -0.0020 -0.0026 515 PHE 62 CZ -0.0057 -0.0009 -0.0049 516 PHE 62 H 0.0004 0.0003 0.0058 517 PHE 62 HA -0.0001 -0.0001 0.0065 518 PHE 62 HB2 -0.0053 -0.0034 0.0072 519 PHE 62 HB3 -0.0052 -0.0032 0.0064 520 PHE 62 HD1 -0.0024 -0.0002 0.0008 521 PHE 62 HD2 -0.0071 -0.0034 0.0026 522 PHE 62 HE1 -0.0033 0.0007 -0.0054 523 PHE 62 HE2 -0.0079 -0.0026 -0.0036 524 PHE 62 HZ -0.0061 -0.0005 -0.0077 525 ARG 63 N -0.0026 0.0024 0.0021 526 ARG 63 CA -0.0006 -0.0007 0.0167 527 ARG 63 C 0.0022 0.0063 0.0146 528 ARG 63 O 0.0045 0.0055 0.0260 529 ARG 63 CB 0.0051 0.0041 0.0316 530 ARG 63 CG 0.0018 -0.0051 0.0360 531 ARG 63 CD 0.0077 0.0000 0.0508 532 ARG 63 NE 0.0106 -0.0008 0.0650 533 ARG 63 CZ 0.0148 0.0007 0.0802 534 ARG 63 NH1 0.0164 0.0024 0.0836 535 ARG 63 NH2 0.0174 0.0004 0.0920 536 ARG 63 H 0.0009 0.0099 0.0017 537 ARG 63 HA -0.0060 -0.0128 0.0182 538 ARG 63 HB2 0.0102 0.0158 0.0294 539 ARG 63 HB3 0.0068 0.0027 0.0418 540 ARG 63 HG2 -0.0032 -0.0168 0.0386 541 ARG 63 HG3 -0.0001 -0.0040 0.0258 542 ARG 63 HD2 0.0049 -0.0071 0.0536 543 ARG 63 HD3 0.0125 0.0116 0.0480 544 ARG 63 HE 0.0093 -0.0024 0.0628 545 ARG 63 HH11 0.0144 0.0024 0.0750 546 ARG 63 HH12 0.0196 0.0036 0.0949 547 ARG 63 HH21 0.0162 -0.0010 0.0897 548 ARG 63 HH22 0.0207 0.0016 0.1036 549 SER 64 N -0.0076 0.0009 0.0083 550 SER 64 CA -0.0108 0.0009 0.0042 551 SER 64 C -0.0102 -0.0031 0.0005 552 SER 64 O -0.0108 -0.0033 -0.0005 553 SER 64 CB -0.0146 0.0048 0.0037 554 SER 64 OG -0.0149 0.0086 0.0076 555 SER 64 H -0.0080 0.0025 0.0096 556 SER 64 HA -0.0109 0.0009 0.0042 557 SER 64 HB2 -0.0148 0.0044 0.0030 558 SER 64 HB3 -0.0171 0.0051 0.0010 559 SER 64 HG -0.0154 0.0093 0.0078 560 LYS 65 N -0.0174 -0.0023 -0.0033 561 LYS 65 CA -0.0060 -0.0054 -0.0140 562 LYS 65 C -0.0126 -0.0053 -0.0181 563 LYS 65 O -0.0027 -0.0067 -0.0195 564 LYS 65 CB -0.0001 -0.0088 -0.0300 565 LYS 65 CG -0.0141 -0.0091 -0.0413 566 LYS 65 CD -0.0260 -0.0092 -0.0498 567 LYS 65 CE -0.0395 -0.0095 -0.0607 568 LYS 65 NZ -0.0519 -0.0094 -0.0683 569 LYS 65 H -0.0220 -0.0024 -0.0075 570 LYS 65 HA 0.0052 -0.0053 -0.0060 571 LYS 65 HB2 0.0068 -0.0109 -0.0379 572 LYS 65 HB3 0.0087 -0.0091 -0.0259 573 LYS 65 HG2 -0.0081 -0.0115 -0.0511 574 LYS 65 HG3 -0.0214 -0.0070 -0.0336 575 LYS 65 HD2 -0.0322 -0.0069 -0.0403 576 LYS 65 HD3 -0.0185 -0.0114 -0.0577 577 LYS 65 HE2 -0.0332 -0.0119 -0.0708 578 LYS 65 HE3 -0.0462 -0.0074 -0.0530 579 LYS 65 HZ1 -0.0459 -0.0114 -0.0759 580 LYS 65 HZ2 -0.0585 -0.0070 -0.0591 581 LYS 65 HZ3 -0.0607 -0.0097 -0.0759 582 ASP 66 N -0.0203 -0.0095 -0.0239 583 ASP 66 CA -0.0244 -0.0101 -0.0239 584 ASP 66 C -0.0218 -0.0093 -0.0112 585 ASP 66 O -0.0196 -0.0089 -0.0103 586 ASP 66 CB -0.0381 -0.0123 -0.0269 587 ASP 66 CG -0.0425 -0.0131 -0.0294 588 ASP 66 OD1 -0.0420 -0.0133 -0.0404 589 ASP 66 OD2 -0.0468 -0.0135 -0.0206 590 ASP 66 H -0.0266 -0.0104 -0.0239 591 ASP 66 HA -0.0192 -0.0095 -0.0311 592 ASP 66 HB2 -0.0399 -0.0128 -0.0350 593 ASP 66 HB3 -0.0433 -0.0129 -0.0191 594 HIS 67 N -0.0083 -0.0049 0.0010 595 HIS 67 CA -0.0082 -0.0049 0.0014 596 HIS 67 C -0.0074 -0.0055 0.0013 597 HIS 67 O -0.0074 -0.0056 0.0010 598 HIS 67 CB -0.0083 -0.0047 0.0025 599 HIS 67 CG -0.0082 -0.0047 0.0030 600 HIS 67 ND1 -0.0085 -0.0046 0.0026 601 HIS 67 CD2 -0.0082 -0.0047 0.0039 602 HIS 67 CE1 -0.0086 -0.0044 0.0033 603 HIS 67 NE2 -0.0085 -0.0045 0.0041 604 HIS 67 H -0.0084 -0.0048 0.0014 605 HIS 67 HA -0.0086 -0.0046 0.0011 606 HIS 67 HB2 -0.0088 -0.0043 0.0027 607 HIS 67 HB3 -0.0079 -0.0050 0.0028 608 HIS 67 HD1 -0.0086 -0.0045 0.0020 609 HIS 67 HD2 -0.0079 -0.0049 0.0043 610 HIS 67 HE1 -0.0088 -0.0042 0.0032 611 LYS 68 N -0.0052 -0.0035 -0.0004 612 LYS 68 CA -0.0033 -0.0053 -0.0006 613 LYS 68 C -0.0030 -0.0062 -0.0034 614 LYS 68 O -0.0020 -0.0074 -0.0042 615 LYS 68 CB -0.0019 -0.0063 0.0011 616 LYS 68 CG -0.0023 -0.0053 0.0039 617 LYS 68 CD -0.0009 -0.0063 0.0055 618 LYS 68 CE -0.0010 -0.0064 0.0045 619 LYS 68 NZ 0.0003 -0.0073 0.0061 620 LYS 68 H -0.0053 -0.0031 0.0004 621 LYS 68 HA -0.0032 -0.0052 0.0001 622 LYS 68 HB2 -0.0020 -0.0064 0.0003 623 LYS 68 HB3 -0.0005 -0.0076 0.0011 624 LYS 68 HG2 -0.0025 -0.0049 0.0048 625 LYS 68 HG3 -0.0037 -0.0039 0.0039 626 LYS 68 HD2 0.0005 -0.0077 0.0054 627 LYS 68 HD3 -0.0012 -0.0056 0.0075 628 LYS 68 HE2 -0.0024 -0.0050 0.0044 629 LYS 68 HE3 -0.0007 -0.0072 0.0025 630 LYS 68 HZ1 0.0017 -0.0086 0.0062 631 LYS 68 HZ2 0.0001 -0.0073 0.0054 632 LYS 68 HZ3 -0.0001 -0.0065 0.0079 633 LYS 69 N 0.0024 0.0001 -0.0062 634 LYS 69 CA 0.0041 0.0016 -0.0115 635 LYS 69 C 0.0029 -0.0002 -0.0019 636 LYS 69 O 0.0098 0.0028 -0.0008 637 LYS 69 CB -0.0048 -0.0012 -0.0216 638 LYS 69 CG -0.0071 -0.0017 -0.0264 639 LYS 69 CD -0.0172 -0.0052 -0.0352 640 LYS 69 CE -0.0214 -0.0064 -0.0405 641 LYS 69 NZ -0.0316 -0.0101 -0.0484 642 LYS 69 H -0.0035 -0.0021 -0.0099 643 LYS 69 HA 0.0122 0.0058 -0.0153 644 LYS 69 HB2 -0.0025 0.0008 -0.0292 645 LYS 69 HB3 -0.0124 -0.0051 -0.0183 646 LYS 69 HG2 -0.0088 -0.0035 -0.0185 647 LYS 69 HG3 0.0000 0.0022 -0.0308 648 LYS 69 HD2 -0.0149 -0.0032 -0.0426 649 LYS 69 HD3 -0.0238 -0.0088 -0.0305 650 LYS 69 HE2 -0.0232 -0.0082 -0.0331 651 LYS 69 HE3 -0.0150 -0.0028 -0.0459 652 LYS 69 HZ1 -0.0350 -0.0112 -0.0521 653 LYS 69 HZ2 -0.0376 -0.0135 -0.0433 654 LYS 69 HZ3 -0.0299 -0.0084 -0.0553 655 ARG 70 N -0.0048 -0.0033 -0.0020 656 ARG 70 CA -0.0007 -0.0073 0.0059 657 ARG 70 C 0.0029 -0.0055 0.0102 658 ARG 70 O 0.0079 -0.0045 0.0169 659 ARG 70 CB -0.0034 -0.0172 0.0068 660 ARG 70 CG 0.0007 -0.0218 0.0149 661 ARG 70 CD 0.0041 -0.0180 0.0180 662 ARG 70 NE 0.0083 -0.0219 0.0259 663 ARG 70 CZ 0.0132 -0.0178 0.0309 664 ARG 70 NH1 0.0146 -0.0095 0.0289 665 ARG 70 NH2 0.0167 -0.0221 0.0380 666 ARG 70 H -0.0087 -0.0071 -0.0057 667 ARG 70 HA 0.0019 -0.0044 0.0082 668 ARG 70 HB2 -0.0065 -0.0185 0.0030 669 ARG 70 HB3 -0.0056 -0.0199 0.0049 670 ARG 70 HG2 -0.0016 -0.0287 0.0150 671 ARG 70 HG3 0.0034 -0.0210 0.0184 672 ARG 70 HD2 0.0063 -0.0110 0.0178 673 ARG 70 HD3 0.0014 -0.0190 0.0146 674 ARG 70 HE 0.0073 -0.0281 0.0274 675 ARG 70 HH11 0.0121 -0.0060 0.0236 676 ARG 70 HH12 0.0183 -0.0063 0.0326 677 ARG 70 HH21 0.0157 -0.0283 0.0396 678 ARG 70 HH22 0.0204 -0.0193 0.0420 679 LEU 71 N 0.0026 -0.0036 0.0063 680 LEU 71 CA 0.0033 -0.0034 0.0070 681 LEU 71 C 0.0046 0.0000 0.0080 682 LEU 71 O 0.0062 0.0003 0.0098 683 LEU 71 CB 0.0012 -0.0040 0.0048 684 LEU 71 CG -0.0003 -0.0074 0.0036 685 LEU 71 CD1 -0.0022 -0.0077 0.0015 686 LEU 71 CD2 0.0011 -0.0104 0.0056 687 LEU 71 H 0.0010 -0.0037 0.0045 688 LEU 71 HA 0.0044 -0.0054 0.0085 689 LEU 71 HB2 0.0001 -0.0020 0.0033 690 LEU 71 HB3 0.0018 -0.0038 0.0054 691 LEU 71 HG -0.0011 -0.0075 0.0028 692 LEU 71 HD11 -0.0015 -0.0076 0.0023 693 LEU 71 HD12 -0.0033 -0.0056 0.0001 694 LEU 71 HD13 -0.0033 -0.0100 0.0006 695 LEU 71 HD21 0.0024 -0.0103 0.0070 696 LEU 71 HD22 0.0019 -0.0103 0.0065 697 LEU 71 HD23 -0.0000 -0.0127 0.0046 698 LYS 72 N 0.0070 0.0045 0.0075 699 LYS 72 CA 0.0105 0.0107 0.0075 700 LYS 72 C 0.0153 0.0116 0.0111 701 LYS 72 O 0.0198 0.0143 0.0136 702 LYS 72 CB 0.0076 0.0156 0.0027 703 LYS 72 CG 0.0109 0.0223 0.0023 704 LYS 72 CD 0.0076 0.0268 -0.0027 705 LYS 72 CE 0.0108 0.0335 -0.0031 706 LYS 72 NZ 0.0076 0.0379 -0.0079 707 LYS 72 H 0.0034 0.0041 0.0047 708 LYS 72 HA 0.0119 0.0112 0.0084 709 LYS 72 HB2 0.0042 0.0148 0.0002 710 LYS 72 HB3 0.0062 0.0150 0.0018 711 LYS 72 HG2 0.0141 0.0233 0.0045 712 LYS 72 HG3 0.0125 0.0229 0.0033 713 LYS 72 HD2 0.0043 0.0257 -0.0049 714 LYS 72 HD3 0.0060 0.0262 -0.0037 715 LYS 72 HE2 0.0139 0.0345 -0.0010 716 LYS 72 HE3 0.0125 0.0339 -0.0019 717 LYS 72 HZ1 0.0060 0.0375 -0.0092 718 LYS 72 HZ2 0.0046 0.0370 -0.0101 719 LYS 72 HZ3 0.0099 0.0424 -0.0082 720 GLN 73 N 0.0150 0.0120 0.0141 721 GLN 73 CA 0.0194 0.0118 0.0204 722 GLN 73 C 0.0232 0.0076 0.0276 723 GLN 73 O 0.0282 0.0105 0.0332 724 GLN 73 CB 0.0170 0.0069 0.0193 725 GLN 73 CG 0.0135 0.0110 0.0126 726 GLN 73 CD 0.0109 0.0057 0.0115 727 GLN 73 OE1 0.0097 -0.0022 0.0135 728 GLN 73 NE2 0.0101 0.0101 0.0083 729 GLN 73 H 0.0111 0.0085 0.0104 730 GLN 73 HA 0.0219 0.0183 0.0208 731 GLN 73 HB2 0.0145 0.0005 0.0188 732 GLN 73 HB3 0.0204 0.0067 0.0241 733 GLN 73 HG2 0.0161 0.0173 0.0132 734 GLN 73 HG3 0.0102 0.0114 0.0078 735 GLN 73 HE21 0.0112 0.0163 0.0069 736 GLN 73 HE22 0.0085 0.0070 0.0074 737 LEU 74 N 0.0179 0.0018 0.0244 738 LEU 74 CA 0.0201 -0.0020 0.0294 739 LEU 74 C 0.0220 0.0022 0.0308 740 LEU 74 O 0.0245 0.0005 0.0356 741 LEU 74 CB 0.0173 -0.0094 0.0280 742 LEU 74 CG 0.0192 -0.0145 0.0331 743 LEU 74 CD1 0.0226 -0.0155 0.0390 744 LEU 74 CD2 0.0160 -0.0216 0.0309 745 LEU 74 H 0.0150 0.0002 0.0202 746 LEU 74 HA 0.0225 -0.0024 0.0335 747 LEU 74 HB2 0.0158 -0.0118 0.0265 748 LEU 74 HB3 0.0151 -0.0085 0.0241 749 LEU 74 HG 0.0205 -0.0122 0.0343 750 LEU 74 HD11 0.0238 -0.0192 0.0425 751 LEU 74 HD12 0.0214 -0.0177 0.0379 752 LEU 74 HD13 0.0249 -0.0105 0.0407 753 LEU 74 HD21 0.0147 -0.0239 0.0296 754 LEU 74 HD22 0.0174 -0.0251 0.0345 755 LEU 74 HD23 0.0137 -0.0208 0.0268 756 SER 75 N 0.0215 0.0029 0.0222 757 SER 75 CA 0.0217 0.0047 0.0223 758 SER 75 C 0.0188 -0.0020 0.0207 759 SER 75 O 0.0199 -0.0027 0.0215 760 SER 75 CB 0.0286 0.0070 0.0267 761 SER 75 OG 0.0289 0.0092 0.0268 762 SER 75 H 0.0183 0.0053 0.0199 763 SER 75 HA 0.0187 0.0095 0.0199 764 SER 75 HB2 0.0304 0.0117 0.0276 765 SER 75 HB3 0.0316 0.0022 0.0291 766 SER 75 HG 0.0315 0.0138 0.0283 767 VAL 76 N 0.0079 -0.0011 0.0118 768 VAL 76 CA 0.0065 -0.0042 0.0087 769 VAL 76 C 0.0031 -0.0017 0.0061 770 VAL 76 O 0.0025 -0.0018 0.0053 771 VAL 76 CB 0.0063 -0.0077 0.0066 772 VAL 76 CG1 0.0048 -0.0109 0.0033 773 VAL 76 CG2 0.0097 -0.0103 0.0091 774 VAL 76 H 0.0084 -0.0012 0.0123 775 VAL 76 HA 0.0081 -0.0058 0.0096 776 VAL 76 HB 0.0048 -0.0060 0.0058 777 VAL 76 HG11 0.0046 -0.0133 0.0019 778 VAL 76 HG12 0.0063 -0.0125 0.0041 779 VAL 76 HG13 0.0023 -0.0090 0.0014 780 VAL 76 HG21 0.0095 -0.0127 0.0077 781 VAL 76 HG22 0.0107 -0.0080 0.0114 782 VAL 76 HG23 0.0113 -0.0120 0.0101 783 GLU 77 N 0.0052 -0.0050 0.0074 784 GLU 77 CA 0.0028 -0.0037 0.0062 785 GLU 77 C 0.0019 -0.0002 0.0066 786 GLU 77 O 0.0006 0.0005 0.0060 787 GLU 77 CB 0.0004 -0.0057 0.0043 788 GLU 77 CG -0.0003 -0.0064 0.0037 789 GLU 77 CD -0.0027 -0.0083 0.0017 790 GLU 77 OE1 -0.0024 -0.0112 0.0012 791 GLU 77 OE2 -0.0050 -0.0069 0.0007 792 GLU 77 H 0.0054 -0.0043 0.0077 793 GLU 77 HA 0.0033 -0.0037 0.0066 794 GLU 77 HB2 -0.0015 -0.0044 0.0035 795 GLU 77 HB3 0.0008 -0.0079 0.0040 796 GLU 77 HG2 0.0015 -0.0078 0.0045 797 GLU 77 HG3 -0.0007 -0.0042 0.0040 798 PRO 78 N 0.0052 -0.0008 0.0090 799 PRO 78 CA 0.0047 0.0022 0.0085 800 PRO 78 C 0.0017 0.0022 0.0081 801 PRO 78 O 0.0013 0.0003 0.0084 802 PRO 78 CB 0.0075 0.0028 0.0087 803 PRO 78 CG 0.0098 0.0005 0.0093 804 PRO 78 CD 0.0079 -0.0022 0.0096 805 PRO 78 HA 0.0046 0.0039 0.0082 806 PRO 78 HB2 0.0068 0.0025 0.0087 807 PRO 78 HB3 0.0084 0.0051 0.0084 808 PRO 78 HG2 0.0112 -0.0001 0.0096 809 PRO 78 HG3 0.0112 0.0014 0.0093 810 PRO 78 HD2 0.0073 -0.0037 0.0097 811 PRO 78 HD3 0.0092 -0.0034 0.0099 812 TYR 79 N 0.0003 -0.0021 0.0102 813 TYR 79 CA -0.0027 -0.0028 0.0128 814 TYR 79 C -0.0039 -0.0037 0.0136 815 TYR 79 O -0.0043 -0.0068 0.0132 816 TYR 79 CB -0.0040 -0.0056 0.0132 817 TYR 79 CG -0.0032 -0.0045 0.0128 818 TYR 79 CD1 -0.0008 -0.0053 0.0104 819 TYR 79 CD2 -0.0048 -0.0025 0.0148 820 TYR 79 CE1 -0.0000 -0.0043 0.0100 821 TYR 79 CE2 -0.0041 -0.0014 0.0144 822 TYR 79 CZ -0.0017 -0.0023 0.0120 823 TYR 79 OH -0.0010 -0.0012 0.0116 824 TYR 79 H 0.0013 0.0004 0.0099 825 TYR 79 HA -0.0033 -0.0001 0.0140 826 TYR 79 HB2 -0.0032 -0.0082 0.0119 827 TYR 79 HB3 -0.0062 -0.0060 0.0151 828 TYR 79 HD1 0.0005 -0.0069 0.0088 829 TYR 79 HD2 -0.0067 -0.0018 0.0166 830 TYR 79 HE1 0.0019 -0.0050 0.0081 831 TYR 79 HE2 -0.0054 0.0001 0.0160 832 TYR 79 HH -0.0012 0.0013 0.0124 833 SER 80 N -0.0049 -0.0058 0.0073 834 SER 80 CA -0.0047 -0.0060 0.0070 835 SER 80 C -0.0060 -0.0059 0.0082 836 SER 80 O -0.0072 -0.0059 0.0090 837 SER 80 CB -0.0031 -0.0048 0.0069 838 SER 80 OG -0.0028 -0.0049 0.0065 839 SER 80 H -0.0046 -0.0049 0.0081 840 SER 80 HA -0.0047 -0.0069 0.0060 841 SER 80 HB2 -0.0023 -0.0049 0.0062 842 SER 80 HB3 -0.0031 -0.0038 0.0079 843 SER 80 HG -0.0024 -0.0057 0.0055 844 GLN 81 N -0.0037 -0.0102 0.0091 845 GLN 81 CA -0.0056 -0.0100 0.0105 846 GLN 81 C -0.0064 -0.0079 0.0095 847 GLN 81 O -0.0061 -0.0062 0.0081 848 GLN 81 CB -0.0073 -0.0102 0.0120 849 GLN 81 CG -0.0092 -0.0104 0.0136 850 GLN 81 CD -0.0111 -0.0104 0.0151 851 GLN 81 OE1 -0.0115 -0.0094 0.0146 852 GLN 81 NE2 -0.0121 -0.0115 0.0168 853 GLN 81 H -0.0037 -0.0100 0.0090 854 GLN 81 HA -0.0051 -0.0113 0.0111 855 GLN 81 HB2 -0.0066 -0.0116 0.0125 856 GLN 81 HB3 -0.0079 -0.0087 0.0114 857 GLN 81 HG2 -0.0098 -0.0091 0.0131 858 GLN 81 HG3 -0.0086 -0.0119 0.0143 859 GLN 81 HE21 -0.0117 -0.0123 0.0170 860 GLN 81 HE22 -0.0134 -0.0116 0.0178 861 GLU 82 N -0.0009 -0.0101 0.0092 862 GLU 82 CA 0.0013 -0.0149 0.0103 863 GLU 82 C -0.0026 -0.0160 0.0131 864 GLU 82 O -0.0016 -0.0197 0.0143 865 GLU 82 CB 0.0034 -0.0197 0.0113 866 GLU 82 CG 0.0058 -0.0249 0.0122 867 GLU 82 CD 0.0080 -0.0292 0.0130 868 GLU 82 OE1 0.0050 -0.0315 0.0159 869 GLU 82 OE2 0.0126 -0.0303 0.0107 870 GLU 82 H 0.0002 -0.0068 0.0071 871 GLU 82 HA 0.0043 -0.0140 0.0079 872 GLU 82 HB2 0.0062 -0.0187 0.0091 873 GLU 82 HB3 0.0003 -0.0204 0.0135 874 GLU 82 HG2 0.0031 -0.0262 0.0146 875 GLU 82 HG3 0.0088 -0.0242 0.0101 876 GLU 83 N -0.0067 -0.0083 0.0133 877 GLU 83 CA -0.0075 -0.0069 0.0148 878 GLU 83 C -0.0094 -0.0067 0.0137 879 GLU 83 O -0.0112 -0.0056 0.0139 880 GLU 83 CB -0.0056 -0.0069 0.0162 881 GLU 83 CG -0.0062 -0.0054 0.0178 882 GLU 83 CD -0.0042 -0.0054 0.0192 883 GLU 83 OE1 -0.0033 -0.0063 0.0187 884 GLU 83 OE2 -0.0036 -0.0045 0.0210 885 GLU 83 H -0.0063 -0.0093 0.0122 886 GLU 83 HA -0.0082 -0.0059 0.0157 887 GLU 83 HB2 -0.0044 -0.0070 0.0170 888 GLU 83 HB3 -0.0049 -0.0079 0.0153 889 GLU 83 HG2 -0.0073 -0.0054 0.0170 890 GLU 83 HG3 -0.0071 -0.0044 0.0186 891 ALA 84 N -0.0065 -0.0074 0.0131 892 ALA 84 CA -0.0063 -0.0060 0.0133 893 ALA 84 C -0.0045 -0.0044 0.0133 894 ALA 84 O -0.0044 -0.0028 0.0135 895 ALA 84 CB -0.0083 -0.0049 0.0135 896 ALA 84 H -0.0074 -0.0069 0.0132 897 ALA 84 HA -0.0058 -0.0069 0.0132 898 ALA 84 HB1 -0.0080 -0.0039 0.0136 899 ALA 84 HB2 -0.0088 -0.0041 0.0136 900 ALA 84 HB3 -0.0094 -0.0061 0.0134 901 GLU 85 N -0.0008 -0.0045 0.0127 902 GLU 85 CA 0.0006 -0.0039 0.0114 903 GLU 85 C 0.0013 -0.0066 0.0096 904 GLU 85 O 0.0002 -0.0086 0.0099 905 GLU 85 CB -0.0004 -0.0032 0.0127 906 GLU 85 CG 0.0011 -0.0021 0.0116 907 GLU 85 CD 0.0021 -0.0042 0.0098 908 GLU 85 OE1 0.0011 -0.0056 0.0102 909 GLU 85 OE2 0.0038 -0.0044 0.0078 910 GLU 85 H -0.0012 -0.0064 0.0123 911 GLU 85 HA 0.0020 -0.0022 0.0107 912 GLU 85 HB2 -0.0012 -0.0017 0.0143 913 GLU 85 HB3 -0.0015 -0.0051 0.0131 914 GLU 85 HG2 0.0024 -0.0007 0.0109 915 GLU 85 HG3 0.0005 -0.0009 0.0128 916 ARG 86 N 0.0066 -0.0093 0.0159 917 ARG 86 CA 0.0040 -0.0102 0.0109 918 ARG 86 C 0.0056 -0.0101 0.0114 919 ARG 86 O 0.0107 -0.0096 0.0137 920 ARG 86 CB 0.0055 -0.0113 0.0043 921 ARG 86 CG 0.0125 -0.0114 0.0033 922 ARG 86 CD 0.0174 -0.0112 0.0035 923 ARG 86 NE 0.0239 -0.0111 0.0030 924 ARG 86 CZ 0.0293 -0.0108 0.0043 925 ARG 86 NH1 0.0290 -0.0105 0.0059 926 ARG 86 NH2 0.0349 -0.0107 0.0039 927 ARG 86 H 0.0113 -0.0090 0.0166 928 ARG 86 HA -0.0011 -0.0102 0.0116 929 ARG 86 HB2 0.0045 -0.0120 0.0008 930 ARG 86 HB3 0.0024 -0.0116 0.0036 931 ARG 86 HG2 0.0129 -0.0122 -0.0013 932 ARG 86 HG3 0.0137 -0.0107 0.0068 933 ARG 86 HD2 0.0168 -0.0104 0.0079 934 ARG 86 HD3 0.0165 -0.0119 -0.0003 935 ARG 86 HE 0.0242 -0.0114 0.0017 936 ARG 86 HH11 0.0250 -0.0106 0.0062 937 ARG 86 HH12 0.0330 -0.0103 0.0068 938 ARG 86 HH21 0.0352 -0.0109 0.0028 939 ARG 86 HH22 0.0390 -0.0105 0.0049 940 ALA 87 N 0.0079 -0.0146 0.0043 941 ALA 87 CA 0.0073 -0.0149 0.0007 942 ALA 87 C 0.0070 -0.0136 -0.0000 943 ALA 87 O 0.0069 -0.0150 -0.0022 944 ALA 87 CB 0.0077 -0.0185 -0.0004 945 ALA 87 H 0.0084 -0.0163 0.0057 946 ALA 87 HA 0.0069 -0.0134 -0.0006 947 ALA 87 HB1 0.0081 -0.0200 0.0009 948 ALA 87 HB2 0.0079 -0.0194 0.0001 949 ALA 87 HB3 0.0073 -0.0188 -0.0030 950 ALA 88 N 0.0058 -0.0099 0.0017 951 ALA 88 CA 0.0059 -0.0066 -0.0010 952 ALA 88 C 0.0076 -0.0025 -0.0018 953 ALA 88 O 0.0105 0.0000 0.0002 954 ALA 88 CB 0.0073 -0.0061 0.0006 955 ALA 88 H 0.0078 -0.0094 0.0041 956 ALA 88 HA 0.0035 -0.0073 -0.0038 957 ALA 88 HB1 0.0097 -0.0052 0.0034 958 ALA 88 HB2 0.0060 -0.0090 0.0012 959 ALA 88 HB3 0.0072 -0.0035 -0.0015 960 GLY 89 N -0.0045 0.0020 -0.0045 961 GLY 89 CA -0.0041 0.0045 -0.0054 962 GLY 89 C -0.0112 0.0044 -0.0077 963 GLY 89 O -0.0156 0.0075 -0.0104 964 GLY 89 H -0.0087 -0.0008 -0.0048 965 GLY 89 HA2 -0.0016 0.0097 -0.0066 966 GLY 89 HA3 -0.0010 0.0014 -0.0031 967 MET 90 N -0.0148 0.0041 -0.0074 968 MET 90 CA -0.0120 0.0043 -0.0051 969 MET 90 C -0.0110 0.0007 -0.0035 970 MET 90 O -0.0100 -0.0003 -0.0024 971 MET 90 CB -0.0100 0.0072 -0.0041 972 MET 90 CG -0.0071 0.0081 -0.0019 973 MET 90 SD -0.0050 0.0046 0.0007 974 MET 90 CE -0.0019 0.0068 0.0028 975 MET 90 H -0.0162 0.0046 -0.0087 976 MET 90 HA -0.0121 0.0048 -0.0053 977 MET 90 HB2 -0.0109 0.0095 -0.0054 978 MET 90 HB3 -0.0097 0.0064 -0.0036 979 MET 90 HG2 -0.0074 0.0089 -0.0023 980 MET 90 HG3 -0.0060 0.0103 -0.0014 981 MET 90 HE1 -0.0023 0.0078 0.0023 982 MET 90 HE2 -0.0005 0.0050 0.0045 983 MET 90 HE3 -0.0011 0.0090 0.0030 984 GLY 91 N -0.0088 0.0066 -0.0047 985 GLY 91 CA -0.0076 0.0042 -0.0044 986 GLY 91 C -0.0057 0.0042 -0.0029 987 GLY 91 O -0.0053 0.0029 -0.0030 988 GLY 91 H -0.0092 0.0073 -0.0048 989 GLY 91 HA2 -0.0073 0.0038 -0.0043 990 GLY 91 HA3 -0.0084 0.0028 -0.0055 991 SER 92 N 0.0001 0.0050 -0.0004 992 SER 92 CA 0.0028 0.0059 0.0006 993 SER 92 C 0.0063 0.0038 0.0027 994 SER 92 O 0.0082 0.0045 0.0034 995 SER 92 CB 0.0037 0.0105 -0.0000 996 SER 92 OG 0.0003 0.0124 -0.0020 997 SER 92 H 0.0007 0.0059 -0.0003 998 SER 92 HA 0.0015 0.0049 0.0003 999 SER 92 HB2 0.0049 0.0115 0.0003 1000 SER 92 HB3 0.0056 0.0111 0.0007 1001 SER 92 HG -0.0017 0.0103 -0.0025 1002 TYR 93 N 0.0051 0.0005 0.0127 1003 TYR 93 CA 0.0040 0.0013 0.0108 1004 TYR 93 C 0.0032 0.0016 0.0093 1005 TYR 93 O 0.0036 0.0018 0.0100 1006 TYR 93 CB 0.0044 0.0036 0.0111 1007 TYR 93 CG 0.0034 0.0045 0.0092 1008 TYR 93 CD1 0.0031 0.0037 0.0090 1009 TYR 93 CD2 0.0026 0.0061 0.0077 1010 TYR 93 CE1 0.0022 0.0045 0.0073 1011 TYR 93 CE2 0.0017 0.0069 0.0060 1012 TYR 93 CZ 0.0015 0.0061 0.0058 1013 TYR 93 OH 0.0005 0.0068 0.0042 1014 TYR 93 H 0.0057 0.0016 0.0135 1015 TYR 93 HA 0.0036 -0.0001 0.0103 1016 TYR 93 HB2 0.0052 0.0034 0.0123 1017 TYR 93 HB3 0.0047 0.0050 0.0114 1018 TYR 93 HD1 0.0037 0.0025 0.0101 1019 TYR 93 HD2 0.0028 0.0067 0.0079 1020 TYR 93 HE1 0.0021 0.0039 0.0071 1021 TYR 93 HE2 0.0011 0.0081 0.0049 1022 TYR 93 HH -0.0002 0.0066 0.0030 1023 VAL 94 N 0.0031 -0.0007 0.0210 1024 VAL 94 CA 0.0064 0.0034 0.0181 1025 VAL 94 C 0.0221 0.0181 0.0179 1026 VAL 94 O 0.0269 0.0271 0.0050 1027 VAL 94 CB -0.0037 -0.0000 0.0010 1028 VAL 94 CG1 -0.0036 0.0062 -0.0164 1029 VAL 94 CG2 -0.0003 0.0039 -0.0010 1030 VAL 94 H -0.0039 -0.0039 0.0117 1031 VAL 94 HA 0.0049 -0.0022 0.0301 1032 VAL 94 HB -0.0143 -0.0106 0.0031 1033 VAL 94 HG11 -0.0107 0.0035 -0.0277 1034 VAL 94 HG12 0.0069 0.0168 -0.0187 1035 VAL 94 HG13 -0.0069 0.0026 -0.0151 1036 VAL 94 HG21 0.0104 0.0144 -0.0025 1037 VAL 94 HG22 -0.0074 0.0014 -0.0129 1038 VAL 94 HG23 -0.0015 -0.0014 0.0109