1 ASP 28 N -0.0456 -0.0011 -0.0918 2 ASP 28 CA -0.0262 0.0162 -0.0638 3 ASP 28 C -0.0066 -0.0052 -0.0418 4 ASP 28 O -0.0034 -0.0377 -0.0428 5 ASP 28 CB -0.0226 0.0199 -0.0585 6 ASP 28 CG -0.0029 0.0380 -0.0300 7 ASP 28 OD1 -0.0030 0.0698 -0.0251 8 ASP 28 OD2 0.0123 0.0213 -0.0129 9 ASP 28 H -0.0593 0.0127 -0.1075 10 ASP 28 HA -0.0289 0.0421 -0.0632 11 ASP 28 HB2 -0.0367 0.0353 -0.0744 12 ASP 28 HB3 -0.0204 -0.0061 -0.0599 13 PRO 29 N -0.0020 -0.0049 -0.0479 14 PRO 29 CA 0.0167 -0.0374 -0.0107 15 PRO 29 C 0.0220 -0.0417 0.0105 16 PRO 29 O 0.0114 -0.0075 0.0228 17 PRO 29 CB 0.0160 -0.0175 0.0276 18 PRO 29 CG -0.0010 0.0166 0.0035 19 PRO 29 CD -0.0142 0.0337 -0.0353 20 PRO 29 HA 0.0267 -0.0703 -0.0242 21 PRO 29 HB2 0.0155 -0.0025 0.0568 22 PRO 29 HB3 0.0283 -0.0443 0.0406 23 PRO 29 HG2 -0.0069 0.0441 0.0290 24 PRO 29 HG3 0.0024 0.0006 -0.0114 25 PRO 29 HD2 -0.0231 0.0634 -0.0224 26 PRO 29 HD3 -0.0223 0.0413 -0.0653 27 ASN 30 N 0.0196 0.0016 -0.0179 28 ASN 30 CA 0.0192 0.0058 -0.0397 29 ASN 30 C 0.0241 -0.0206 -0.0230 30 ASN 30 O 0.0309 -0.0526 -0.0383 31 ASN 30 CB 0.0215 -0.0002 -0.0846 32 ASN 30 CG 0.0216 0.0027 -0.1107 33 ASN 30 OD1 0.0156 0.0343 -0.1245 34 ASN 30 ND2 0.0282 -0.0298 -0.1186 35 ASN 30 H 0.0146 0.0254 -0.0084 36 ASN 30 HA 0.0131 0.0358 -0.0354 37 ASN 30 HB2 0.0173 0.0219 -0.0944 38 ASN 30 HB3 0.0273 -0.0287 -0.0863 39 ASN 30 HD21 0.0329 -0.0546 -0.1074 40 ASN 30 HD22 0.0284 -0.0285 -0.1350 41 ALA 31 N 0.0060 -0.0507 0.0322 42 ALA 31 CA 0.0090 -0.0593 0.0426 43 ALA 31 C 0.0061 -0.0465 0.0586 44 ALA 31 O 0.0069 -0.0463 0.0747 45 ALA 31 CB 0.0149 -0.0779 0.0511 46 ALA 31 H 0.0030 -0.0395 0.0378 47 ALA 31 HA 0.0092 -0.0618 0.0324 48 ALA 31 HB1 0.0171 -0.0842 0.0582 49 ALA 31 HB2 0.0147 -0.0757 0.0614 50 ALA 31 HB3 0.0169 -0.0870 0.0397 51 GLU 32 N 0.0199 0.0068 0.0486 52 GLU 32 CA 0.0274 0.0280 0.0597 53 GLU 32 C 0.0240 0.0140 0.0607 54 GLU 32 O 0.0293 0.0244 0.0749 55 GLU 32 CB 0.0307 0.0560 0.0393 56 GLU 32 CG 0.0235 0.0515 0.0067 57 GLU 32 CD 0.0274 0.0804 -0.0118 58 GLU 32 OE1 0.0310 0.0953 -0.0129 59 GLU 32 OE2 0.0270 0.0889 -0.0254 60 GLU 32 H 0.0165 0.0092 0.0273 61 GLU 32 HA 0.0329 0.0331 0.0818 62 GLU 32 HB2 0.0364 0.0713 0.0486 63 GLU 32 HB3 0.0331 0.0650 0.0395 64 GLU 32 HG2 0.0178 0.0369 -0.0033 65 GLU 32 HG3 0.0209 0.0416 0.0064 66 PHE 33 N 0.0135 -0.0198 0.0403 67 PHE 33 CA 0.0124 -0.0268 0.0401 68 PHE 33 C 0.0108 -0.0348 0.0456 69 PHE 33 O 0.0107 -0.0351 0.0482 70 PHE 33 CB 0.0123 -0.0297 0.0302 71 PHE 33 CG 0.0122 -0.0322 0.0250 72 PHE 33 CD1 0.0107 -0.0407 0.0256 73 PHE 33 CD2 0.0134 -0.0259 0.0197 74 PHE 33 CE1 0.0106 -0.0429 0.0210 75 PHE 33 CE2 0.0133 -0.0281 0.0151 76 PHE 33 CZ 0.0118 -0.0366 0.0157 77 PHE 33 H 0.0136 -0.0203 0.0366 78 PHE 33 HA 0.0127 -0.0243 0.0430 79 PHE 33 HB2 0.0114 -0.0355 0.0302 80 PHE 33 HB3 0.0134 -0.0243 0.0266 81 PHE 33 HD1 0.0098 -0.0457 0.0297 82 PHE 33 HD2 0.0145 -0.0192 0.0192 83 PHE 33 HE1 0.0095 -0.0496 0.0215 84 PHE 33 HE2 0.0142 -0.0232 0.0109 85 PHE 33 HZ 0.0117 -0.0383 0.0121 86 ASP 34 N 0.0119 -0.0344 0.0332 87 ASP 34 CA 0.0104 -0.0293 0.0311 88 ASP 34 C -0.0009 -0.0211 0.0369 89 ASP 34 O -0.0055 -0.0146 0.0370 90 ASP 34 CB 0.0168 -0.0222 0.0197 91 ASP 34 CG 0.0163 -0.0177 0.0171 92 ASP 34 OD1 0.0087 -0.0093 0.0189 93 ASP 34 OD2 0.0236 -0.0228 0.0132 94 ASP 34 H 0.0120 -0.0295 0.0297 95 ASP 34 HA 0.0125 -0.0362 0.0339 96 ASP 34 HB2 0.0245 -0.0276 0.0156 97 ASP 34 HB3 0.0140 -0.0147 0.0173 98 PRO 35 N -0.0050 -0.0287 0.0403 99 PRO 35 CA -0.0225 -0.0214 0.0460 100 PRO 35 C -0.0227 -0.0044 0.0395 101 PRO 35 O -0.0367 0.0024 0.0437 102 PRO 35 CB -0.0269 -0.0379 0.0545 103 PRO 35 CG -0.0091 -0.0471 0.0495 104 PRO 35 CD 0.0043 -0.0446 0.0420 105 PRO 35 HA -0.0324 -0.0178 0.0494 106 PRO 35 HB2 -0.0359 -0.0330 0.0570 107 PRO 35 HB3 -0.0329 -0.0469 0.0610 108 PRO 35 HG2 -0.0058 -0.0405 0.0453 109 PRO 35 HG3 -0.0093 -0.0616 0.0552 110 PRO 35 HD2 0.0165 -0.0414 0.0348 111 PRO 35 HD3 0.0069 -0.0569 0.0455 112 ASP 36 N -0.0129 0.0188 0.0351 113 ASP 36 CA -0.0154 0.0500 0.0206 114 ASP 36 C -0.0144 0.0561 0.0140 115 ASP 36 O -0.0214 0.0823 0.0147 116 ASP 36 CB -0.0055 0.0544 -0.0079 117 ASP 36 CG -0.0072 0.0860 -0.0245 118 ASP 36 OD1 -0.0168 0.1085 -0.0146 119 ASP 36 OD2 0.0013 0.0886 -0.0481 120 ASP 36 H -0.0036 0.0011 0.0229 121 ASP 36 HA -0.0254 0.0660 0.0358 122 ASP 36 HB2 -0.0069 0.0512 -0.0020 123 ASP 36 HB3 0.0046 0.0371 -0.0223 124 LEU 37 N -0.0061 0.0275 0.0033 125 LEU 37 CA -0.0049 0.0272 -0.0009 126 LEU 37 C -0.0070 0.0249 0.0096 127 LEU 37 O -0.0067 0.0170 0.0181 128 LEU 37 CB 0.0009 0.0178 -0.0105 129 LEU 37 CG 0.0035 0.0208 -0.0236 130 LEU 37 CD1 0.0013 0.0325 -0.0295 131 LEU 37 CD2 0.0033 0.0215 -0.0236 132 LEU 37 H -0.0040 0.0200 0.0046 133 LEU 37 HA -0.0065 0.0360 -0.0054 134 LEU 37 HB2 0.0026 0.0095 -0.0067 135 LEU 37 HB3 0.0016 0.0162 -0.0113 136 LEU 37 HG 0.0074 0.0137 -0.0292 137 LEU 37 HD11 0.0032 0.0343 -0.0386 138 LEU 37 HD12 -0.0027 0.0400 -0.0241 139 LEU 37 HD13 0.0017 0.0317 -0.0301 140 LEU 37 HD21 0.0051 0.0237 -0.0329 141 LEU 37 HD22 0.0052 0.0128 -0.0200 142 LEU 37 HD23 -0.0006 0.0284 -0.0178 143 PRO 38 N -0.0052 0.0235 -0.0003 144 PRO 38 CA -0.0042 0.0218 0.0041 145 PRO 38 C -0.0013 0.0152 0.0042 146 PRO 38 O -0.0002 0.0122 -0.0009 147 PRO 38 CB -0.0057 0.0247 0.0013 148 PRO 38 CG -0.0081 0.0295 -0.0028 149 PRO 38 CD -0.0073 0.0274 -0.0053 150 PRO 38 HA -0.0047 0.0235 0.0090 151 PRO 38 HB2 -0.0044 0.0215 -0.0015 152 PRO 38 HB3 -0.0063 0.0265 0.0051 153 PRO 38 HG2 -0.0086 0.0303 -0.0067 154 PRO 38 HG3 -0.0097 0.0335 0.0001 155 PRO 38 HD2 -0.0064 0.0250 -0.0098 156 PRO 38 HD3 -0.0089 0.0310 -0.0059 157 GLY 39 N -0.0046 0.0129 0.0064 158 GLY 39 CA 0.0001 0.0075 0.0067 159 GLY 39 C 0.0030 0.0042 0.0070 160 GLY 39 O 0.0070 -0.0002 0.0051 161 GLY 39 H -0.0066 0.0149 0.0105 162 GLY 39 HA2 0.0006 0.0066 0.0111 163 GLY 39 HA3 0.0012 0.0067 0.0021 164 GLY 40 N 0.0016 0.0006 0.0151 165 GLY 40 CA 0.0053 -0.0033 0.0165 166 GLY 40 C 0.0091 -0.0033 0.0111 167 GLY 40 O 0.0129 -0.0066 0.0114 168 GLY 40 H -0.0021 0.0032 0.0161 169 GLY 40 HA2 0.0031 -0.0031 0.0194 170 GLY 40 HA3 0.0074 -0.0065 0.0189 171 GLY 41 N 0.0050 0.0056 -0.0002 172 GLY 41 CA 0.0067 0.0050 -0.0061 173 GLY 41 C 0.0094 -0.0000 -0.0072 174 GLY 41 O 0.0112 -0.0016 -0.0119 175 GLY 41 H 0.0034 0.0082 0.0014 176 GLY 41 HA2 0.0056 0.0082 -0.0082 177 GLY 41 HA3 0.0071 0.0049 -0.0076 178 LEU 42 N 0.0084 -0.0040 0.0037 179 LEU 42 CA 0.0156 -0.0048 0.0022 180 LEU 42 C 0.0168 -0.0048 -0.0052 181 LEU 42 O 0.0227 -0.0055 -0.0077 182 LEU 42 CB 0.0185 -0.0053 0.0072 183 LEU 42 CG 0.0178 -0.0054 0.0149 184 LEU 42 CD1 0.0209 -0.0058 0.0193 185 LEU 42 CD2 0.0213 -0.0058 0.0167 186 LEU 42 H 0.0059 -0.0037 0.0053 187 LEU 42 HA 0.0183 -0.0052 0.0030 188 LEU 42 HB2 0.0160 -0.0049 0.0062 189 LEU 42 HB3 0.0239 -0.0059 0.0059 190 LEU 42 HG 0.0124 -0.0047 0.0162 191 LEU 42 HD11 0.0204 -0.0059 0.0247 192 LEU 42 HD12 0.0262 -0.0064 0.0180 193 LEU 42 HD13 0.0181 -0.0055 0.0183 194 LEU 42 HD21 0.0267 -0.0064 0.0153 195 LEU 42 HD22 0.0208 -0.0059 0.0222 196 LEU 42 HD23 0.0188 -0.0055 0.0139 197 HIS 43 N 0.0061 -0.0003 -0.0117 198 HIS 43 CA 0.0064 -0.0009 -0.0135 199 HIS 43 C 0.0045 0.0011 -0.0171 200 HIS 43 O 0.0023 0.0040 -0.0166 201 HIS 43 CB 0.0061 -0.0001 -0.0105 202 HIS 43 CG 0.0077 -0.0017 -0.0066 203 HIS 43 ND1 0.0101 -0.0048 -0.0061 204 HIS 43 CD2 0.0072 -0.0006 -0.0029 205 HIS 43 CE1 0.0110 -0.0055 -0.0024 206 HIS 43 NE2 0.0093 -0.0031 -0.0004 207 HIS 43 H 0.0044 0.0019 -0.0110 208 HIS 43 HA 0.0082 -0.0034 -0.0146 209 HIS 43 HB2 0.0041 0.0024 -0.0100 210 HIS 43 HB3 0.0065 -0.0009 -0.0120 211 HIS 43 HD1 0.0110 -0.0063 -0.0083 212 HIS 43 HD2 0.0055 0.0017 -0.0022 213 HIS 43 HE1 0.0129 -0.0078 -0.0011 214 HIS 43 HE2 0.0097 -0.0031 0.0023 215 ARG 44 N -0.0047 0.0026 -0.0178 216 ARG 44 CA -0.0035 0.0019 -0.0159 217 ARG 44 C -0.0043 0.0024 -0.0136 218 ARG 44 O -0.0061 0.0035 -0.0133 219 ARG 44 CB -0.0036 0.0020 -0.0157 220 ARG 44 CG -0.0033 0.0018 -0.0179 221 ARG 44 CD -0.0037 0.0020 -0.0174 222 ARG 44 NE -0.0036 0.0019 -0.0195 223 ARG 44 CZ -0.0036 0.0019 -0.0195 224 ARG 44 NH1 -0.0038 0.0021 -0.0175 225 ARG 44 NH2 -0.0035 0.0018 -0.0215 226 ARG 44 H -0.0061 0.0035 -0.0178 227 ARG 44 HA -0.0019 0.0009 -0.0161 228 ARG 44 HB2 -0.0049 0.0028 -0.0148 229 ARG 44 HB3 -0.0024 0.0013 -0.0145 230 ARG 44 HG2 -0.0018 0.0009 -0.0185 231 ARG 44 HG3 -0.0044 0.0024 -0.0191 232 ARG 44 HD2 -0.0051 0.0029 -0.0166 233 ARG 44 HD3 -0.0025 0.0013 -0.0162 234 ARG 44 HE -0.0035 0.0018 -0.0210 235 ARG 44 HH11 -0.0039 0.0022 -0.0160 236 ARG 44 HH12 -0.0038 0.0021 -0.0175 237 ARG 44 HH21 -0.0034 0.0017 -0.0231 238 ARG 44 HH22 -0.0036 0.0018 -0.0215 239 CYS 45 N -0.0044 0.0014 -0.0103 240 CYS 45 CA -0.0056 0.0013 -0.0067 241 CYS 45 C -0.0077 0.0005 0.0002 242 CYS 45 O -0.0077 -0.0047 0.0020 243 CYS 45 CB -0.0043 -0.0044 -0.0085 244 CYS 45 SG -0.0059 -0.0055 -0.0032 245 CYS 45 H -0.0036 -0.0026 -0.0112 246 CYS 45 HA -0.0059 0.0062 -0.0074 247 CYS 45 HB2 -0.0029 -0.0030 -0.0133 248 CYS 45 HB3 -0.0036 -0.0090 -0.0089 249 LEU 46 N -0.0115 0.0076 0.0091 250 LEU 46 CA -0.0150 0.0074 0.0224 251 LEU 46 C -0.0172 -0.0027 0.0286 252 LEU 46 O -0.0199 -0.0093 0.0370 253 LEU 46 CB -0.0155 0.0206 0.0280 254 LEU 46 CG -0.0134 0.0313 0.0231 255 LEU 46 CD1 -0.0139 0.0442 0.0285 256 LEU 46 CD2 -0.0143 0.0288 0.0258 257 LEU 46 H -0.0100 0.0151 0.0055 258 LEU 46 HA -0.0155 0.0050 0.0239 259 LEU 46 HB2 -0.0149 0.0231 0.0263 260 LEU 46 HB3 -0.0180 0.0203 0.0379 261 LEU 46 HG -0.0109 0.0313 0.0132 262 LEU 46 HD11 -0.0131 0.0462 0.0257 263 LEU 46 HD12 -0.0125 0.0516 0.0251 264 LEU 46 HD13 -0.0165 0.0439 0.0385 265 LEU 46 HD21 -0.0137 0.0201 0.0211 266 LEU 46 HD22 -0.0169 0.0281 0.0356 267 LEU 46 HD23 -0.0129 0.0368 0.0224 268 ALA 47 N -0.0118 0.0032 0.0193 269 ALA 47 CA -0.0139 -0.0022 0.0201 270 ALA 47 C -0.0177 -0.0120 0.0185 271 ALA 47 O -0.0201 -0.0177 0.0209 272 ALA 47 CB -0.0123 0.0009 0.0132 273 ALA 47 H -0.0097 0.0075 0.0143 274 ALA 47 HA -0.0140 -0.0012 0.0272 275 ALA 47 HB1 -0.0138 -0.0029 0.0141 276 ALA 47 HB2 -0.0122 -0.0002 0.0060 277 ALA 47 HB3 -0.0096 0.0078 0.0144 278 CYS 48 N -0.0146 -0.0161 0.0241 279 CYS 48 CA -0.0135 -0.0256 0.0217 280 CYS 48 C -0.0139 -0.0266 0.0233 281 CYS 48 O -0.0135 -0.0346 0.0231 282 CYS 48 CB -0.0108 -0.0287 0.0118 283 CYS 48 SG -0.0105 -0.0299 0.0108 284 CYS 48 H -0.0139 -0.0103 0.0205 285 CYS 48 HA -0.0146 -0.0304 0.0266 286 CYS 48 HB2 -0.0095 -0.0239 0.0059 287 CYS 48 HB3 -0.0101 -0.0358 0.0104 288 ALA 49 N -0.0155 -0.0199 0.0176 289 ALA 49 CA -0.0162 -0.0157 0.0169 290 ALA 49 C -0.0087 -0.0192 0.0065 291 ALA 49 O -0.0080 -0.0200 0.0056 292 ALA 49 CB -0.0211 -0.0212 0.0271 293 ALA 49 H -0.0175 -0.0136 0.0181 294 ALA 49 HA -0.0185 -0.0057 0.0165 295 ALA 49 HB1 -0.0188 -0.0312 0.0276 296 ALA 49 HB2 -0.0263 -0.0186 0.0342 297 ALA 49 HB3 -0.0217 -0.0176 0.0266 298 ARG 50 N -0.0186 -0.0104 0.0050 299 ARG 50 CA -0.0049 -0.0126 -0.0063 300 ARG 50 C -0.0004 0.0016 -0.0169 301 ARG 50 O -0.0044 0.0086 -0.0165 302 ARG 50 CB 0.0044 -0.0285 -0.0073 303 ARG 50 CG 0.0014 -0.0439 0.0025 304 ARG 50 CD 0.0110 -0.0590 0.0009 305 ARG 50 NE 0.0081 -0.0741 0.0104 306 ARG 50 CZ 0.0144 -0.0891 0.0117 307 ARG 50 NH1 0.0242 -0.0910 0.0037 308 ARG 50 NH2 0.0109 -0.1020 0.0208 309 ARG 50 H -0.0209 -0.0114 0.0076 310 ARG 50 HA -0.0043 -0.0131 -0.0065 311 ARG 50 HB2 0.0036 -0.0280 -0.0068 312 ARG 50 HB3 0.0145 -0.0290 -0.0161 313 ARG 50 HG2 0.0024 -0.0446 0.0019 314 ARG 50 HG3 -0.0087 -0.0435 0.0114 315 ARG 50 HD2 0.0102 -0.0582 0.0012 316 ARG 50 HD3 0.0210 -0.0594 -0.0080 317 ARG 50 HE 0.0010 -0.0726 0.0161 318 ARG 50 HH11 0.0273 -0.0817 -0.0034 319 ARG 50 HH12 0.0293 -0.1020 0.0042 320 ARG 50 HH21 0.0036 -0.1010 0.0269 321 ARG 50 HH22 0.0153 -0.1132 0.0219 322 TYR 51 N 0.0004 0.0059 -0.0204 323 TYR 51 CA 0.0026 0.0063 -0.0181 324 TYR 51 C 0.0053 0.0063 -0.0156 325 TYR 51 O 0.0052 0.0083 -0.0150 326 TYR 51 CB 0.0016 0.0102 -0.0177 327 TYR 51 CG -0.0012 0.0106 -0.0202 328 TYR 51 CD1 -0.0039 0.0120 -0.0222 329 TYR 51 CD2 -0.0013 0.0096 -0.0206 330 TYR 51 CE1 -0.0065 0.0124 -0.0245 331 TYR 51 CE2 -0.0039 0.0100 -0.0229 332 TYR 51 CZ -0.0065 0.0114 -0.0248 333 TYR 51 OH -0.0091 0.0118 -0.0271 334 TYR 51 H -0.0004 0.0081 -0.0204 335 TYR 51 HA 0.0030 0.0042 -0.0185 336 TYR 51 HB2 0.0013 0.0123 -0.0172 337 TYR 51 HB3 0.0033 0.0105 -0.0160 338 TYR 51 HD1 -0.0039 0.0128 -0.0219 339 TYR 51 HD2 0.0008 0.0085 -0.0191 340 TYR 51 HE1 -0.0085 0.0135 -0.0260 341 TYR 51 HE2 -0.0039 0.0092 -0.0232 342 TYR 51 HH -0.0103 0.0143 -0.0274 343 PHE 52 N 0.0017 0.0038 -0.0157 344 PHE 52 CA 0.0046 0.0031 -0.0154 345 PHE 52 C 0.0070 0.0055 -0.0140 346 PHE 52 O 0.0071 0.0067 -0.0135 347 PHE 52 CB 0.0061 -0.0001 -0.0164 348 PHE 52 CG 0.0039 -0.0027 -0.0178 349 PHE 52 CD1 0.0016 -0.0033 -0.0185 350 PHE 52 CD2 0.0043 -0.0045 -0.0185 351 PHE 52 CE1 -0.0005 -0.0056 -0.0198 352 PHE 52 CE2 0.0023 -0.0068 -0.0198 353 PHE 52 CZ -0.0001 -0.0074 -0.0205 354 PHE 52 H 0.0018 0.0037 -0.0157 355 PHE 52 HA 0.0040 0.0030 -0.0155 356 PHE 52 HB2 0.0068 -0.0000 -0.0163 357 PHE 52 HB3 0.0083 -0.0006 -0.0162 358 PHE 52 HD1 0.0013 -0.0019 -0.0180 359 PHE 52 HD2 0.0061 -0.0040 -0.0180 360 PHE 52 HE1 -0.0023 -0.0060 -0.0204 361 PHE 52 HE2 0.0025 -0.0082 -0.0203 362 PHE 52 HZ -0.0017 -0.0092 -0.0215 363 ILE 53 N 0.0010 0.0104 -0.0049 364 ILE 53 CA 0.0022 0.0105 0.0005 365 ILE 53 C 0.0055 0.0057 0.0025 366 ILE 53 O 0.0069 0.0046 0.0057 367 ILE 53 CB 0.0010 0.0140 0.0043 368 ILE 53 CG1 0.0016 0.0129 0.0041 369 ILE 53 CG2 -0.0022 0.0190 0.0031 370 ILE 53 CD1 0.0006 0.0160 0.0079 371 ILE 53 H -0.0003 0.0123 -0.0054 372 ILE 53 HA 0.0015 0.0116 0.0005 373 ILE 53 HB 0.0021 0.0136 0.0082 374 ILE 53 HG12 0.0006 0.0131 0.0001 375 ILE 53 HG13 0.0040 0.0093 0.0050 376 ILE 53 HG21 -0.0034 0.0193 -0.0009 377 ILE 53 HG22 -0.0026 0.0197 0.0036 378 ILE 53 HG23 -0.0031 0.0214 0.0058 379 ILE 53 HD11 0.0017 0.0158 0.0119 380 ILE 53 HD12 0.0011 0.0151 0.0074 381 ILE 53 HD13 -0.0017 0.0196 0.0070 382 ASP 54 N 0.0047 0.0045 -0.0039 383 ASP 54 CA 0.0057 0.0009 -0.0022 384 ASP 54 C 0.0059 -0.0016 -0.0045 385 ASP 54 O 0.0054 -0.0003 -0.0066 386 ASP 54 CB 0.0061 0.0014 0.0019 387 ASP 54 CG 0.0071 -0.0022 0.0040 388 ASP 54 OD1 0.0075 -0.0034 0.0055 389 ASP 54 OD2 0.0075 -0.0039 0.0041 390 ASP 54 H 0.0044 0.0054 -0.0053 391 ASP 54 HA 0.0060 -0.0003 -0.0021 392 ASP 54 HB2 0.0059 0.0033 0.0034 393 ASP 54 HB3 0.0058 0.0025 0.0018 394 SER 55 N 0.0028 -0.0038 -0.0044 395 SER 55 CA 0.0019 -0.0076 -0.0057 396 SER 55 C 0.0027 -0.0079 -0.0030 397 SER 55 O 0.0020 -0.0092 -0.0047 398 SER 55 CB 0.0015 -0.0119 -0.0053 399 SER 55 OG 0.0007 -0.0158 -0.0064 400 SER 55 H 0.0030 -0.0045 -0.0032 401 SER 55 HA 0.0010 -0.0070 -0.0091 402 SER 55 HB2 0.0009 -0.0116 -0.0076 403 SER 55 HB3 0.0024 -0.0123 -0.0021 404 SER 55 HG 0.0013 -0.0170 -0.0038 405 THR 56 N 0.0010 -0.0076 -0.0011 406 THR 56 CA 0.0017 -0.0071 0.0028 407 THR 56 C 0.0023 -0.0026 0.0008 408 THR 56 O 0.0022 -0.0033 0.0011 409 THR 56 CB 0.0029 -0.0058 0.0085 410 THR 56 OG1 0.0024 -0.0097 0.0100 411 THR 56 CG2 0.0036 -0.0061 0.0128 412 THR 56 H 0.0014 -0.0067 0.0002 413 THR 56 HA 0.0011 -0.0110 0.0031 414 THR 56 HB 0.0036 -0.0017 0.0082 415 THR 56 HG1 0.0024 -0.0083 0.0082 416 THR 56 HG21 0.0044 -0.0051 0.0168 417 THR 56 HG22 0.0028 -0.0102 0.0131 418 THR 56 HG23 0.0039 -0.0032 0.0117 419 ASN 57 N 0.0051 -0.0029 -0.0027 420 ASN 57 CA 0.0047 0.0001 -0.0045 421 ASN 57 C 0.0038 -0.0011 -0.0082 422 ASN 57 O 0.0035 -0.0003 -0.0093 423 ASN 57 CB 0.0048 0.0039 -0.0048 424 ASN 57 CG 0.0057 0.0062 -0.0012 425 ASN 57 OD1 0.0059 0.0087 -0.0007 426 ASN 57 ND2 0.0063 0.0056 0.0012 427 ASN 57 H 0.0051 -0.0023 -0.0025 428 ASN 57 HA 0.0052 0.0006 -0.0027 429 ASN 57 HB2 0.0046 0.0031 -0.0054 430 ASN 57 HB3 0.0042 0.0055 -0.0071 431 ASN 57 HD21 0.0061 0.0037 0.0008 432 ASN 57 HD22 0.0069 0.0072 0.0035 433 LEU 58 N 0.0031 -0.0019 -0.0127 434 LEU 58 CA 0.0023 -0.0027 -0.0143 435 LEU 58 C 0.0021 -0.0044 -0.0137 436 LEU 58 O 0.0018 -0.0044 -0.0143 437 LEU 58 CB 0.0017 -0.0032 -0.0157 438 LEU 58 CG 0.0008 -0.0043 -0.0174 439 LEU 58 CD1 0.0004 -0.0064 -0.0168 440 LEU 58 CD2 0.0007 -0.0035 -0.0184 441 LEU 58 H 0.0032 -0.0020 -0.0125 442 LEU 58 HA 0.0024 -0.0015 -0.0150 443 LEU 58 HB2 0.0019 -0.0018 -0.0162 444 LEU 58 HB3 0.0018 -0.0040 -0.0148 445 LEU 58 HG 0.0005 -0.0042 -0.0184 446 LEU 58 HD11 -0.0003 -0.0072 -0.0180 447 LEU 58 HD12 0.0007 -0.0067 -0.0157 448 LEU 58 HD13 0.0004 -0.0070 -0.0162 449 LEU 58 HD21 0.0010 -0.0037 -0.0174 450 LEU 58 HD22 0.0000 -0.0043 -0.0196 451 LEU 58 HD23 0.0010 -0.0020 -0.0188 452 LYS 59 N -0.0005 -0.0072 -0.0095 453 LYS 59 CA -0.0025 -0.0099 -0.0059 454 LYS 59 C -0.0012 -0.0043 -0.0007 455 LYS 59 O -0.0013 -0.0042 -0.0001 456 LYS 59 CB -0.0062 -0.0164 -0.0021 457 LYS 59 CG -0.0072 -0.0155 0.0042 458 LYS 59 CD -0.0109 -0.0223 0.0073 459 LYS 59 CE -0.0131 -0.0255 0.0108 460 LYS 59 NZ -0.0127 -0.0213 0.0174 461 LYS 59 H -0.0014 -0.0090 -0.0089 462 LYS 59 HA -0.0021 -0.0112 -0.0103 463 LYS 59 HB2 -0.0076 -0.0184 0.0000 464 LYS 59 HB3 -0.0070 -0.0202 -0.0061 465 LYS 59 HG2 -0.0058 -0.0133 0.0022 466 LYS 59 HG3 -0.0066 -0.0120 0.0085 467 LYS 59 HD2 -0.0114 -0.0258 0.0028 468 LYS 59 HD3 -0.0114 -0.0215 0.0112 469 LYS 59 HE2 -0.0125 -0.0262 0.0069 470 LYS 59 HE3 -0.0157 -0.0305 0.0124 471 LYS 59 HZ1 -0.0134 -0.0209 0.0214 472 LYS 59 HZ2 -0.0142 -0.0236 0.0196 473 LYS 59 HZ3 -0.0103 -0.0164 0.0163 474 THR 60 N -0.0030 -0.0065 -0.0026 475 THR 60 CA -0.0009 -0.0022 0.0020 476 THR 60 C 0.0005 0.0016 -0.0026 477 THR 60 O 0.0013 0.0032 -0.0002 478 THR 60 CB 0.0013 0.0025 0.0062 479 THR 60 OG1 -0.0001 -0.0013 0.0106 480 THR 60 CG2 0.0035 0.0070 0.0110 481 THR 60 H -0.0027 -0.0057 -0.0030 482 THR 60 HA -0.0021 -0.0054 0.0057 483 THR 60 HB 0.0023 0.0053 0.0023 484 THR 60 HG1 -0.0011 -0.0032 0.0075 485 THR 60 HG21 0.0050 0.0102 0.0138 486 THR 60 HG22 0.0024 0.0040 0.0148 487 THR 60 HG23 0.0045 0.0098 0.0078 488 HIS 61 N -0.0009 -0.0046 -0.0153 489 HIS 61 CA -0.0012 -0.0055 -0.0139 490 HIS 61 C -0.0019 -0.0052 -0.0126 491 HIS 61 O -0.0020 -0.0062 -0.0115 492 HIS 61 CB -0.0014 -0.0052 -0.0136 493 HIS 61 CG -0.0020 -0.0057 -0.0120 494 HIS 61 ND1 -0.0017 -0.0071 -0.0112 495 HIS 61 CD2 -0.0029 -0.0048 -0.0110 496 HIS 61 CE1 -0.0024 -0.0071 -0.0098 497 HIS 61 NE2 -0.0031 -0.0057 -0.0097 498 HIS 61 H -0.0010 -0.0039 -0.0158 499 HIS 61 HA -0.0006 -0.0067 -0.0140 500 HIS 61 HB2 -0.0008 -0.0059 -0.0143 501 HIS 61 HB3 -0.0018 -0.0041 -0.0140 502 HIS 61 HD1 -0.0011 -0.0080 -0.0117 503 HIS 61 HD2 -0.0033 -0.0035 -0.0112 504 HIS 61 HE1 -0.0024 -0.0079 -0.0088 505 PHE 62 N -0.0027 -0.0001 -0.0071 506 PHE 62 CA -0.0026 -0.0006 -0.0077 507 PHE 62 C -0.0029 -0.0003 -0.0066 508 PHE 62 O -0.0029 -0.0007 -0.0068 509 PHE 62 CB -0.0029 -0.0022 -0.0083 510 PHE 62 CG -0.0028 -0.0027 -0.0093 511 PHE 62 CD1 -0.0023 -0.0020 -0.0106 512 PHE 62 CD2 -0.0032 -0.0039 -0.0089 513 PHE 62 CE1 -0.0021 -0.0025 -0.0115 514 PHE 62 CE2 -0.0031 -0.0043 -0.0098 515 PHE 62 CZ -0.0025 -0.0036 -0.0111 516 PHE 62 H -0.0030 -0.0008 -0.0067 517 PHE 62 HA -0.0022 0.0001 -0.0087 518 PHE 62 HB2 -0.0033 -0.0029 -0.0073 519 PHE 62 HB3 -0.0028 -0.0023 -0.0089 520 PHE 62 HD1 -0.0019 -0.0011 -0.0109 521 PHE 62 HD2 -0.0036 -0.0044 -0.0079 522 PHE 62 HE1 -0.0017 -0.0019 -0.0125 523 PHE 62 HE2 -0.0034 -0.0052 -0.0095 524 PHE 62 HZ -0.0025 -0.0040 -0.0117 525 ARG 63 N -0.0059 0.0039 -0.0179 526 ARG 63 CA -0.0061 0.0045 -0.0050 527 ARG 63 C -0.0024 0.0142 -0.0082 528 ARG 63 O -0.0018 0.0165 0.0017 529 ARG 63 CB -0.0049 0.0085 0.0098 530 ARG 63 CG -0.0093 -0.0027 0.0150 531 ARG 63 CD -0.0079 0.0018 0.0296 532 ARG 63 NE -0.0072 0.0046 0.0421 533 ARG 63 CZ -0.0069 0.0065 0.0568 534 ARG 63 NH1 -0.0075 0.0051 0.0613 535 ARG 63 NH2 -0.0061 0.0095 0.0670 536 ARG 63 H -0.0040 0.0091 -0.0174 537 ARG 63 HA -0.0101 -0.0063 -0.0040 538 ARG 63 HB2 -0.0012 0.0186 0.0082 539 ARG 63 HB3 -0.0047 0.0099 0.0187 540 ARG 63 HG2 -0.0130 -0.0126 0.0169 541 ARG 63 HG3 -0.0096 -0.0043 0.0061 542 ARG 63 HD2 -0.0112 -0.0067 0.0330 543 ARG 63 HD3 -0.0043 0.0115 0.0275 544 ARG 63 HE -0.0069 0.0053 0.0391 545 ARG 63 HH11 -0.0083 0.0026 0.0539 546 ARG 63 HH12 -0.0073 0.0065 0.0723 547 ARG 63 HH21 -0.0057 0.0103 0.0639 548 ARG 63 HH22 -0.0058 0.0110 0.0782 549 SER 64 N -0.0070 0.0040 -0.0075 550 SER 64 CA -0.0060 0.0048 -0.0073 551 SER 64 C -0.0054 0.0056 -0.0071 552 SER 64 O -0.0047 0.0051 -0.0071 553 SER 64 CB -0.0050 0.0040 -0.0074 554 SER 64 OG -0.0055 0.0031 -0.0077 555 SER 64 H -0.0067 0.0032 -0.0077 556 SER 64 HA -0.0065 0.0054 -0.0072 557 SER 64 HB2 -0.0044 0.0036 -0.0075 558 SER 64 HB3 -0.0043 0.0046 -0.0072 559 SER 64 HG -0.0058 0.0035 -0.0076 560 LYS 65 N -0.0098 0.0069 -0.0098 561 LYS 65 CA -0.0072 0.0115 -0.0085 562 LYS 65 C -0.0031 0.0113 -0.0049 563 LYS 65 O -0.0003 0.0136 -0.0030 564 LYS 65 CB -0.0090 0.0162 -0.0109 565 LYS 65 CG -0.0106 0.0160 -0.0123 566 LYS 65 CD -0.0076 0.0157 -0.0097 567 LYS 65 CE -0.0094 0.0156 -0.0111 568 LYS 65 NZ -0.0066 0.0150 -0.0086 569 LYS 65 H -0.0121 0.0069 -0.0118 570 LYS 65 HA -0.0069 0.0119 -0.0082 571 LYS 65 HB2 -0.0068 0.0193 -0.0097 572 LYS 65 HB3 -0.0112 0.0169 -0.0130 573 LYS 65 HG2 -0.0120 0.0193 -0.0141 574 LYS 65 HG3 -0.0128 0.0128 -0.0135 575 LYS 65 HD2 -0.0062 0.0125 -0.0078 576 LYS 65 HD3 -0.0055 0.0190 -0.0085 577 LYS 65 HE2 -0.0106 0.0190 -0.0128 578 LYS 65 HE3 -0.0116 0.0125 -0.0125 579 LYS 65 HZ1 -0.0043 0.0179 -0.0073 580 LYS 65 HZ2 -0.0054 0.0117 -0.0070 581 LYS 65 HZ3 -0.0079 0.0150 -0.0097 582 ASP 66 N -0.0040 0.0103 -0.0006 583 ASP 66 CA 0.0014 0.0097 0.0045 584 ASP 66 C 0.0028 0.0071 0.0030 585 ASP 66 O 0.0053 0.0082 0.0071 586 ASP 66 CB 0.0066 0.0060 0.0059 587 ASP 66 CG 0.0120 0.0060 0.0119 588 ASP 66 OD1 0.0126 0.0097 0.0168 589 ASP 66 OD2 0.0159 0.0023 0.0117 590 ASP 66 H -0.0036 0.0078 -0.0031 591 ASP 66 HA 0.0005 0.0139 0.0085 592 ASP 66 HB2 0.0052 0.0075 0.0062 593 ASP 66 HB3 0.0078 0.0017 0.0021 594 HIS 67 N -0.0028 0.0038 -0.0040 595 HIS 67 CA -0.0021 0.0028 -0.0030 596 HIS 67 C -0.0018 0.0053 -0.0022 597 HIS 67 O -0.0005 0.0054 -0.0001 598 HIS 67 CB -0.0032 0.0011 -0.0049 599 HIS 67 CG -0.0026 -0.0002 -0.0042 600 HIS 67 ND1 -0.0012 -0.0012 -0.0019 601 HIS 67 CD2 -0.0034 -0.0014 -0.0055 602 HIS 67 CE1 -0.0011 -0.0030 -0.0019 603 HIS 67 NE2 -0.0024 -0.0032 -0.0041 604 HIS 67 H -0.0038 0.0034 -0.0058 605 HIS 67 HA -0.0011 0.0015 -0.0015 606 HIS 67 HB2 -0.0035 -0.0008 -0.0056 607 HIS 67 HB3 -0.0042 0.0024 -0.0065 608 HIS 67 HD1 -0.0003 -0.0007 -0.0004 609 HIS 67 HD2 -0.0045 -0.0005 -0.0073 610 HIS 67 HE1 -0.0001 -0.0042 -0.0004 611 LYS 68 N -0.0036 0.0033 -0.0031 612 LYS 68 CA -0.0038 0.0042 -0.0030 613 LYS 68 C -0.0037 0.0045 -0.0023 614 LYS 68 O -0.0037 0.0051 -0.0018 615 LYS 68 CB -0.0040 0.0046 -0.0038 616 LYS 68 CG -0.0040 0.0042 -0.0045 617 LYS 68 CD -0.0043 0.0046 -0.0053 618 LYS 68 CE -0.0043 0.0046 -0.0055 619 LYS 68 NZ -0.0045 0.0050 -0.0063 620 LYS 68 H -0.0037 0.0032 -0.0036 621 LYS 68 HA -0.0037 0.0042 -0.0028 622 LYS 68 HB2 -0.0040 0.0046 -0.0039 623 LYS 68 HB3 -0.0041 0.0052 -0.0037 624 LYS 68 HG2 -0.0040 0.0040 -0.0044 625 LYS 68 HG3 -0.0039 0.0036 -0.0046 626 LYS 68 HD2 -0.0044 0.0053 -0.0052 627 LYS 68 HD3 -0.0043 0.0043 -0.0058 628 LYS 68 HE2 -0.0042 0.0040 -0.0056 629 LYS 68 HE3 -0.0043 0.0050 -0.0050 630 LYS 68 HZ1 -0.0047 0.0057 -0.0063 631 LYS 68 HZ2 -0.0046 0.0050 -0.0064 632 LYS 68 HZ3 -0.0046 0.0047 -0.0068 633 LYS 69 N -0.0082 0.0100 0.0035 634 LYS 69 CA -0.0062 0.0129 0.0092 635 LYS 69 C -0.0007 0.0116 0.0061 636 LYS 69 O -0.0020 0.0123 0.0076 637 LYS 69 CB -0.0018 0.0158 0.0148 638 LYS 69 CG 0.0031 0.0186 0.0203 639 LYS 69 CD 0.0077 0.0209 0.0247 640 LYS 69 CE 0.0134 0.0238 0.0302 641 LYS 69 NZ 0.0178 0.0256 0.0338 642 LYS 69 H -0.0069 0.0104 0.0042 643 LYS 69 HA -0.0116 0.0139 0.0117 644 LYS 69 HB2 -0.0062 0.0171 0.0178 645 LYS 69 HB3 0.0022 0.0145 0.0119 646 LYS 69 HG2 0.0072 0.0172 0.0171 647 LYS 69 HG3 -0.0008 0.0202 0.0238 648 LYS 69 HD2 0.0032 0.0221 0.0275 649 LYS 69 HD3 0.0110 0.0191 0.0209 650 LYS 69 HE2 0.0177 0.0226 0.0275 651 LYS 69 HE3 0.0100 0.0256 0.0343 652 LYS 69 HZ1 0.0220 0.0276 0.0376 653 LYS 69 HZ2 0.0209 0.0238 0.0298 654 LYS 69 HZ3 0.0136 0.0267 0.0363 655 ARG 70 N 0.0000 0.0110 0.0069 656 ARG 70 CA 0.0016 0.0110 0.0047 657 ARG 70 C -0.0004 0.0097 0.0022 658 ARG 70 O -0.0004 0.0094 0.0010 659 ARG 70 CB 0.0045 0.0117 0.0033 660 ARG 70 CG 0.0064 0.0119 0.0013 661 ARG 70 CD 0.0071 0.0126 0.0030 662 ARG 70 NE 0.0088 0.0127 0.0011 663 ARG 70 CZ 0.0087 0.0128 0.0015 664 ARG 70 NH1 0.0069 0.0127 0.0039 665 ARG 70 NH2 0.0103 0.0129 -0.0003 666 ARG 70 H 0.0008 0.0113 0.0069 667 ARG 70 HA 0.0020 0.0115 0.0059 668 ARG 70 HB2 0.0057 0.0126 0.0051 669 ARG 70 HB3 0.0039 0.0112 0.0019 670 ARG 70 HG2 0.0084 0.0124 0.0005 671 ARG 70 HG3 0.0051 0.0109 -0.0006 672 ARG 70 HD2 0.0051 0.0121 0.0039 673 ARG 70 HD3 0.0084 0.0135 0.0049 674 ARG 70 HE 0.0101 0.0127 -0.0006 675 ARG 70 HH11 0.0057 0.0126 0.0054 676 ARG 70 HH12 0.0068 0.0128 0.0042 677 ARG 70 HH21 0.0117 0.0129 -0.0021 678 ARG 70 HH22 0.0103 0.0129 -0.0001 679 LEU 71 N -0.0038 0.0064 0.0013 680 LEU 71 CA -0.0041 0.0065 0.0010 681 LEU 71 C -0.0045 0.0068 0.0014 682 LEU 71 O -0.0046 0.0069 0.0014 683 LEU 71 CB -0.0044 0.0065 0.0005 684 LEU 71 CG -0.0041 0.0062 0.0001 685 LEU 71 CD1 -0.0045 0.0062 -0.0004 686 LEU 71 CD2 -0.0038 0.0059 -0.0000 687 LEU 71 H -0.0039 0.0064 0.0012 688 LEU 71 HA -0.0039 0.0063 0.0009 689 LEU 71 HB2 -0.0047 0.0067 0.0006 690 LEU 71 HB3 -0.0047 0.0065 0.0003 691 LEU 71 HG -0.0039 0.0061 0.0003 692 LEU 71 HD11 -0.0047 0.0062 -0.0006 693 LEU 71 HD12 -0.0047 0.0064 -0.0003 694 LEU 71 HD13 -0.0043 0.0059 -0.0006 695 LEU 71 HD21 -0.0035 0.0059 0.0004 696 LEU 71 HD22 -0.0039 0.0059 -0.0002 697 LEU 71 HD23 -0.0036 0.0057 -0.0003 698 LYS 72 N -0.0058 0.0077 0.0035 699 LYS 72 CA -0.0076 0.0033 0.0030 700 LYS 72 C -0.0122 0.0022 0.0008 701 LYS 72 O -0.0151 0.0008 -0.0006 702 LYS 72 CB -0.0046 -0.0010 0.0047 703 LYS 72 CG -0.0061 -0.0058 0.0044 704 LYS 72 CD -0.0028 -0.0097 0.0063 705 LYS 72 CE -0.0042 -0.0145 0.0059 706 LYS 72 NZ -0.0010 -0.0183 0.0078 707 LYS 72 H -0.0032 0.0075 0.0048 708 LYS 72 HA -0.0076 0.0039 0.0029 709 LYS 72 HB2 -0.0013 -0.0001 0.0063 710 LYS 72 HB3 -0.0045 -0.0015 0.0048 711 LYS 72 HG2 -0.0092 -0.0069 0.0029 712 LYS 72 HG3 -0.0063 -0.0053 0.0042 713 LYS 72 HD2 0.0003 -0.0086 0.0077 714 LYS 72 HD3 -0.0026 -0.0102 0.0064 715 LYS 72 HE2 -0.0074 -0.0157 0.0045 716 LYS 72 HE3 -0.0046 -0.0139 0.0057 717 LYS 72 HZ1 -0.0006 -0.0190 0.0080 718 LYS 72 HZ2 0.0020 -0.0173 0.0092 719 LYS 72 HZ3 -0.0021 -0.0216 0.0075 720 GLN 73 N -0.0080 0.0060 0.0025 721 GLN 73 CA -0.0069 0.0067 0.0009 722 GLN 73 C -0.0068 0.0065 -0.0042 723 GLN 73 O -0.0079 0.0056 -0.0061 724 GLN 73 CB -0.0032 0.0096 0.0026 725 GLN 73 CG -0.0030 0.0100 0.0076 726 GLN 73 CD 0.0008 0.0129 0.0092 727 GLN 73 OE1 0.0034 0.0148 0.0070 728 GLN 73 NE2 0.0010 0.0133 0.0130 729 GLN 73 H -0.0063 0.0073 0.0039 730 GLN 73 HA -0.0087 0.0054 0.0022 731 GLN 73 HB2 -0.0013 0.0110 0.0014 732 GLN 73 HB3 -0.0024 0.0102 0.0013 733 GLN 73 HG2 -0.0047 0.0088 0.0089 734 GLN 73 HG3 -0.0039 0.0094 0.0090 735 GLN 73 HE21 -0.0012 0.0118 0.0145 736 GLN 73 HE22 0.0033 0.0152 0.0141 737 LEU 74 N -0.0068 0.0084 -0.0008 738 LEU 74 CA -0.0068 0.0089 -0.0042 739 LEU 74 C -0.0093 0.0070 -0.0057 740 LEU 74 O -0.0099 0.0070 -0.0086 741 LEU 74 CB -0.0048 0.0108 -0.0050 742 LEU 74 CG -0.0044 0.0117 -0.0085 743 LEU 74 CD1 -0.0040 0.0124 -0.0100 744 LEU 74 CD2 -0.0023 0.0137 -0.0088 745 LEU 74 H -0.0059 0.0089 0.0005 746 LEU 74 HA -0.0066 0.0092 -0.0052 747 LEU 74 HB2 -0.0031 0.0120 -0.0037 748 LEU 74 HB3 -0.0052 0.0103 -0.0041 749 LEU 74 HG -0.0060 0.0106 -0.0097 750 LEU 74 HD11 -0.0037 0.0130 -0.0124 751 LEU 74 HD12 -0.0024 0.0135 -0.0087 752 LEU 74 HD13 -0.0055 0.0110 -0.0098 753 LEU 74 HD21 -0.0007 0.0149 -0.0076 754 LEU 74 HD22 -0.0020 0.0143 -0.0113 755 LEU 74 HD23 -0.0026 0.0132 -0.0078 756 SER 75 N -0.0123 0.0063 -0.0027 757 SER 75 CA -0.0141 0.0055 -0.0034 758 SER 75 C -0.0127 0.0086 -0.0044 759 SER 75 O -0.0144 0.0089 -0.0058 760 SER 75 CB -0.0181 0.0044 -0.0054 761 SER 75 OG -0.0199 0.0034 -0.0060 762 SER 75 H -0.0105 0.0052 -0.0008 763 SER 75 HA -0.0134 0.0033 -0.0016 764 SER 75 HB2 -0.0189 0.0022 -0.0046 765 SER 75 HB3 -0.0188 0.0066 -0.0072 766 SER 75 HG -0.0217 0.0013 -0.0059 767 VAL 76 N -0.0072 0.0074 0.0007 768 VAL 76 CA -0.0068 0.0082 0.0015 769 VAL 76 C -0.0059 0.0076 0.0021 770 VAL 76 O -0.0057 0.0077 0.0023 771 VAL 76 CB -0.0068 0.0090 0.0020 772 VAL 76 CG1 -0.0064 0.0098 0.0028 773 VAL 76 CG2 -0.0077 0.0096 0.0014 774 VAL 76 H -0.0073 0.0075 0.0006 775 VAL 76 HA -0.0072 0.0086 0.0013 776 VAL 76 HB -0.0064 0.0086 0.0021 777 VAL 76 HG11 -0.0064 0.0104 0.0031 778 VAL 76 HG12 -0.0068 0.0102 0.0026 779 VAL 76 HG13 -0.0058 0.0094 0.0032 780 VAL 76 HG21 -0.0076 0.0102 0.0017 781 VAL 76 HG22 -0.0079 0.0090 0.0008 782 VAL 76 HG23 -0.0081 0.0100 0.0012 783 GLU 77 N -0.0071 0.0076 0.0022 784 GLU 77 CA -0.0056 0.0079 0.0020 785 GLU 77 C -0.0050 0.0061 0.0015 786 GLU 77 O -0.0042 0.0051 0.0011 787 GLU 77 CB -0.0040 0.0088 0.0020 788 GLU 77 CG -0.0036 0.0080 0.0017 789 GLU 77 CD -0.0020 0.0089 0.0017 790 GLU 77 OE1 -0.0022 0.0103 0.0020 791 GLU 77 OE2 -0.0006 0.0081 0.0013 792 GLU 77 H -0.0072 0.0066 0.0019 793 GLU 77 HA -0.0059 0.0087 0.0022 794 GLU 77 HB2 -0.0029 0.0087 0.0018 795 GLU 77 HB3 -0.0043 0.0101 0.0023 796 GLU 77 HG2 -0.0047 0.0080 0.0019 797 GLU 77 HG3 -0.0033 0.0066 0.0013 798 PRO 78 N -0.0065 0.0055 0.0021 799 PRO 78 CA -0.0058 0.0019 0.0024 800 PRO 78 C -0.0019 0.0021 0.0024 801 PRO 78 O -0.0012 0.0047 0.0022 802 PRO 78 CB -0.0091 0.0015 0.0024 803 PRO 78 CG -0.0121 0.0043 0.0022 804 PRO 78 CD -0.0099 0.0075 0.0019 805 PRO 78 HA -0.0058 -0.0005 0.0026 806 PRO 78 HB2 -0.0080 0.0022 0.0024 807 PRO 78 HB3 -0.0102 -0.0014 0.0027 808 PRO 78 HG2 -0.0137 0.0054 0.0021 809 PRO 78 HG3 -0.0140 0.0030 0.0023 810 PRO 78 HD2 -0.0090 0.0097 0.0018 811 PRO 78 HD3 -0.0116 0.0088 0.0018 812 TYR 79 N 0.0032 -0.0020 0.0003 813 TYR 79 CA 0.0072 -0.0017 -0.0015 814 TYR 79 C 0.0082 0.0003 -0.0009 815 TYR 79 O 0.0090 0.0037 0.0005 816 TYR 79 CB 0.0098 0.0002 -0.0017 817 TYR 79 CG 0.0093 -0.0020 -0.0026 818 TYR 79 CD1 0.0066 -0.0014 -0.0011 819 TYR 79 CD2 0.0115 -0.0046 -0.0050 820 TYR 79 CE1 0.0061 -0.0034 -0.0019 821 TYR 79 CE2 0.0110 -0.0067 -0.0059 822 TYR 79 CZ 0.0083 -0.0061 -0.0043 823 TYR 79 OH 0.0078 -0.0081 -0.0051 824 TYR 79 H 0.0016 -0.0046 -0.0003 825 TYR 79 HA 0.0077 -0.0045 -0.0031 826 TYR 79 HB2 0.0092 0.0030 0.0000 827 TYR 79 HB3 0.0127 0.0005 -0.0029 828 TYR 79 HD1 0.0049 0.0006 0.0008 829 TYR 79 HD2 0.0136 -0.0051 -0.0063 830 TYR 79 HE1 0.0040 -0.0030 -0.0006 831 TYR 79 HE2 0.0128 -0.0087 -0.0078 832 TYR 79 HH 0.0077 -0.0107 -0.0064 833 SER 80 N 0.0061 -0.0013 -0.0036 834 SER 80 CA 0.0053 0.0002 -0.0017 835 SER 80 C 0.0076 -0.0001 -0.0016 836 SER 80 O 0.0100 -0.0013 -0.0026 837 SER 80 CB 0.0019 0.0003 -0.0024 838 SER 80 OG 0.0009 0.0019 -0.0005 839 SER 80 H 0.0055 -0.0025 -0.0054 840 SER 80 HA 0.0055 0.0015 0.0001 841 SER 80 HB2 0.0005 0.0004 -0.0026 842 SER 80 HB3 0.0018 -0.0010 -0.0042 843 SER 80 HG 0.0003 0.0029 0.0008 844 GLN 81 N 0.0081 -0.0062 -0.0041 845 GLN 81 CA 0.0044 -0.0060 -0.0035 846 GLN 81 C 0.0026 -0.0022 -0.0061 847 GLN 81 O 0.0031 0.0000 -0.0080 848 GLN 81 CB 0.0008 -0.0078 -0.0013 849 GLN 81 CG -0.0029 -0.0082 -0.0002 850 GLN 81 CD -0.0066 -0.0097 0.0018 851 GLN 81 OE1 -0.0075 -0.0093 0.0016 852 GLN 81 NE2 -0.0087 -0.0115 0.0036 853 GLN 81 H 0.0080 -0.0069 -0.0035 854 GLN 81 HA 0.0053 -0.0072 -0.0028 855 GLN 81 HB2 0.0022 -0.0104 0.0005 856 GLN 81 HB3 -0.0005 -0.0064 -0.0021 857 GLN 81 HG2 -0.0041 -0.0056 -0.0020 858 GLN 81 HG3 -0.0016 -0.0097 0.0008 859 GLN 81 HE21 -0.0077 -0.0117 0.0036 860 GLN 81 HE22 -0.0112 -0.0125 0.0049 861 GLU 82 N 0.0050 -0.0044 -0.0067 862 GLU 82 CA 0.0048 -0.0039 -0.0073 863 GLU 82 C 0.0056 -0.0041 -0.0082 864 GLU 82 O 0.0056 -0.0038 -0.0088 865 GLU 82 CB 0.0039 -0.0031 -0.0077 866 GLU 82 CG 0.0035 -0.0025 -0.0083 867 GLU 82 CD 0.0026 -0.0016 -0.0086 868 GLU 82 OE1 0.0027 -0.0013 -0.0093 869 GLU 82 OE2 0.0018 -0.0013 -0.0080 870 GLU 82 H 0.0052 -0.0049 -0.0061 871 GLU 82 HA 0.0046 -0.0041 -0.0068 872 GLU 82 HB2 0.0033 -0.0030 -0.0070 873 GLU 82 HB3 0.0040 -0.0029 -0.0082 874 GLU 82 HG2 0.0041 -0.0025 -0.0090 875 GLU 82 HG3 0.0034 -0.0026 -0.0078 876 GLU 83 N 0.0115 -0.0045 -0.0109 877 GLU 83 CA 0.0134 -0.0042 -0.0120 878 GLU 83 C 0.0165 -0.0024 -0.0103 879 GLU 83 O 0.0191 -0.0019 -0.0119 880 GLU 83 CB 0.0114 -0.0047 -0.0113 881 GLU 83 CG 0.0131 -0.0044 -0.0123 882 GLU 83 CD 0.0109 -0.0051 -0.0120 883 GLU 83 OE1 0.0101 -0.0046 -0.0093 884 GLU 83 OE2 0.0100 -0.0064 -0.0145 885 GLU 83 H 0.0110 -0.0040 -0.0086 886 GLU 83 HA 0.0141 -0.0047 -0.0146 887 GLU 83 HB2 0.0093 -0.0060 -0.0127 888 GLU 83 HB3 0.0106 -0.0042 -0.0088 889 GLU 83 HG2 0.0150 -0.0031 -0.0108 890 GLU 83 HG3 0.0141 -0.0048 -0.0149 891 ALA 84 N 0.0158 -0.0030 -0.0076 892 ALA 84 CA 0.0188 -0.0029 -0.0055 893 ALA 84 C 0.0170 -0.0045 -0.0041 894 ALA 84 O 0.0186 -0.0052 -0.0015 895 ALA 84 CB 0.0213 -0.0036 -0.0024 896 ALA 84 H 0.0144 -0.0043 -0.0062 897 ALA 84 HA 0.0206 -0.0012 -0.0074 898 ALA 84 HB1 0.0234 -0.0036 -0.0009 899 ALA 84 HB2 0.0194 -0.0054 -0.0006 900 ALA 84 HB3 0.0228 -0.0024 -0.0036 901 GLU 85 N 0.0116 -0.0068 -0.0069 902 GLU 85 CA 0.0086 -0.0083 -0.0057 903 GLU 85 C 0.0050 -0.0068 -0.0082 904 GLU 85 O 0.0027 -0.0070 -0.0084 905 GLU 85 CB 0.0075 -0.0111 -0.0025 906 GLU 85 CG 0.0050 -0.0131 -0.0006 907 GLU 85 CD 0.0005 -0.0127 -0.0019 908 GLU 85 OE1 -0.0020 -0.0137 -0.0011 909 GLU 85 OE2 -0.0005 -0.0114 -0.0036 910 GLU 85 H 0.0107 -0.0053 -0.0089 911 GLU 85 HA 0.0097 -0.0085 -0.0053 912 GLU 85 HB2 0.0104 -0.0119 -0.0011 913 GLU 85 HB3 0.0059 -0.0109 -0.0030 914 GLU 85 HG2 0.0064 -0.0126 -0.0009 915 GLU 85 HG3 0.0053 -0.0151 0.0019 916 ARG 86 N 0.0031 -0.0057 -0.0209 917 ARG 86 CA 0.0052 -0.0045 -0.0165 918 ARG 86 C 0.0020 -0.0047 -0.0187 919 ARG 86 O -0.0038 -0.0046 -0.0216 920 ARG 86 CB 0.0041 -0.0015 -0.0091 921 ARG 86 CG -0.0030 0.0004 -0.0078 922 ARG 86 CD -0.0094 0.0011 -0.0095 923 ARG 86 NE -0.0159 0.0027 -0.0086 924 ARG 86 CZ -0.0223 0.0031 -0.0109 925 ARG 86 NH1 -0.0233 0.0022 -0.0139 926 ARG 86 NH2 -0.0278 0.0045 -0.0101 927 ARG 86 H -0.0019 -0.0051 -0.0218 928 ARG 86 HA 0.0108 -0.0058 -0.0169 929 ARG 86 HB2 0.0045 -0.0005 -0.0062 930 ARG 86 HB3 0.0082 -0.0016 -0.0073 931 ARG 86 HG2 -0.0030 0.0024 -0.0025 932 ARG 86 HG3 -0.0035 -0.0005 -0.0107 933 ARG 86 HD2 -0.0093 -0.0009 -0.0146 934 ARG 86 HD3 -0.0091 0.0023 -0.0062 935 ARG 86 HE -0.0153 0.0035 -0.0063 936 ARG 86 HH11 -0.0194 0.0011 -0.0146 937 ARG 86 HH12 -0.0281 0.0025 -0.0156 938 ARG 86 HH21 -0.0272 0.0053 -0.0079 939 ARG 86 HH22 -0.0327 0.0049 -0.0118 940 ALA 87 N 0.0021 -0.0046 -0.0162 941 ALA 87 CA 0.0021 -0.0048 -0.0185 942 ALA 87 C 0.0009 -0.0039 -0.0138 943 ALA 87 O 0.0029 -0.0047 -0.0134 944 ALA 87 CB 0.0073 -0.0072 -0.0208 945 ALA 87 H 0.0052 -0.0057 -0.0140 946 ALA 87 HA -0.0009 -0.0040 -0.0218 947 ALA 87 HB1 0.0102 -0.0080 -0.0175 948 ALA 87 HB2 0.0081 -0.0078 -0.0241 949 ALA 87 HB3 0.0073 -0.0073 -0.0224 950 ALA 88 N -0.0002 -0.0023 -0.0121 951 ALA 88 CA -0.0015 -0.0030 -0.0069 952 ALA 88 C -0.0070 -0.0038 -0.0064 953 ALA 88 O -0.0103 -0.0043 -0.0059 954 ALA 88 CB -0.0002 -0.0031 -0.0040 955 ALA 88 H -0.0025 -0.0024 -0.0143 956 ALA 88 HA 0.0008 -0.0028 -0.0052 957 ALA 88 HB1 -0.0025 -0.0033 -0.0056 958 ALA 88 HB2 0.0037 -0.0025 -0.0045 959 ALA 88 HB3 -0.0011 -0.0036 -0.0001 960 GLY 89 N -0.0065 -0.0063 -0.0043 961 GLY 89 CA -0.0102 -0.0089 -0.0032 962 GLY 89 C -0.0055 -0.0088 -0.0008 963 GLY 89 O -0.0011 -0.0105 0.0035 964 GLY 89 H -0.0019 -0.0039 -0.0046 965 GLY 89 HA2 -0.0129 -0.0126 -0.0003 966 GLY 89 HA3 -0.0136 -0.0071 -0.0071 967 MET 90 N -0.0047 -0.0149 0.0123 968 MET 90 CA -0.0031 -0.0143 0.0093 969 MET 90 C -0.0030 -0.0144 0.0092 970 MET 90 O -0.0020 -0.0168 0.0094 971 MET 90 CB -0.0010 -0.0165 0.0077 972 MET 90 CG 0.0006 -0.0157 0.0044 973 MET 90 SD 0.0014 -0.0156 0.0031 974 MET 90 CE 0.0034 -0.0149 -0.0006 975 MET 90 H -0.0059 -0.0133 0.0129 976 MET 90 HA -0.0036 -0.0120 0.0084 977 MET 90 HB2 -0.0013 -0.0166 0.0081 978 MET 90 HB3 -0.0005 -0.0187 0.0085 979 MET 90 HG2 0.0001 -0.0134 0.0036 980 MET 90 HG3 0.0019 -0.0173 0.0035 981 MET 90 HE1 0.0029 -0.0128 -0.0013 982 MET 90 HE2 0.0041 -0.0149 -0.0017 983 MET 90 HE3 0.0046 -0.0167 -0.0011 984 GLY 91 N 0.0021 -0.0112 0.0100 985 GLY 91 CA 0.0025 -0.0082 0.0073 986 GLY 91 C 0.0028 -0.0051 0.0032 987 GLY 91 O 0.0032 -0.0004 0.0036 988 GLY 91 H 0.0023 -0.0095 0.0118 989 GLY 91 HA2 0.0022 -0.0107 0.0056 990 GLY 91 HA3 0.0027 -0.0056 0.0100 991 SER 92 N 0.0069 -0.0039 0.0015 992 SER 92 CA 0.0062 -0.0021 -0.0026 993 SER 92 C 0.0062 -0.0025 -0.0056 994 SER 92 O 0.0072 -0.0060 -0.0068 995 SER 92 CB 0.0067 -0.0040 -0.0045 996 SER 92 OG 0.0067 -0.0035 -0.0016 997 SER 92 H 0.0078 -0.0069 0.0015 998 SER 92 HA 0.0052 0.0012 -0.0020 999 SER 92 HB2 0.0077 -0.0072 -0.0051 1000 SER 92 HB3 0.0061 -0.0025 -0.0075 1001 SER 92 HG 0.0065 -0.0026 0.0011 1002 TYR 93 N -0.0060 0.0094 -0.0118 1003 TYR 93 CA -0.0036 0.0077 -0.0090 1004 TYR 93 C -0.0049 0.0101 -0.0137 1005 TYR 93 O -0.0090 0.0127 -0.0179 1006 TYR 93 CB -0.0077 0.0053 -0.0024 1007 TYR 93 CG -0.0051 0.0030 0.0016 1008 TYR 93 CD1 0.0000 0.0003 0.0058 1009 TYR 93 CD2 -0.0077 0.0037 0.0012 1010 TYR 93 CE1 0.0026 -0.0018 0.0095 1011 TYR 93 CE2 -0.0052 0.0016 0.0048 1012 TYR 93 CZ -0.0001 -0.0012 0.0090 1013 TYR 93 OH 0.0024 -0.0032 0.0126 1014 TYR 93 H -0.0111 0.0104 -0.0123 1015 TYR 93 HA 0.0019 0.0065 -0.0082 1016 TYR 93 HB2 -0.0076 0.0040 0.0004 1017 TYR 93 HB3 -0.0131 0.0066 -0.0033 1018 TYR 93 HD1 0.0021 -0.0002 0.0062 1019 TYR 93 HD2 -0.0117 0.0058 -0.0021 1020 TYR 93 HE1 0.0066 -0.0040 0.0128 1021 TYR 93 HE2 -0.0072 0.0021 0.0045 1022 TYR 93 HH 0.0036 -0.0021 0.0097 1023 VAL 94 N -0.0068 0.0062 0.0062 1024 VAL 94 CA 0.0030 0.0078 0.0134 1025 VAL 94 C 0.0237 0.0110 0.0117 1026 VAL 94 O 0.0311 0.0119 -0.0038 1027 VAL 94 CB -0.0038 0.0067 0.0052 1028 VAL 94 CG1 -0.0022 0.0066 -0.0155 1029 VAL 94 CG2 0.0062 0.0083 0.0138 1030 VAL 94 H -0.0151 0.0048 -0.0041 1031 VAL 94 HA 0.0001 0.0076 0.0279 1032 VAL 94 HB -0.0179 0.0045 0.0086 1033 VAL 94 HG11 -0.0070 0.0058 -0.0205 1034 VAL 94 HG12 0.0117 0.0087 -0.0195 1035 VAL 94 HG13 -0.0103 0.0053 -0.0214 1036 VAL 94 HG21 0.0205 0.0105 0.0112 1037 VAL 94 HG22 0.0014 0.0075 0.0079 1038 VAL 94 HG23 0.0038 0.0082 0.0284