1 ASP 28 N -0.0369 0.0078 0.0011 2 ASP 28 CA -0.0148 0.0089 -0.0079 3 ASP 28 C 0.0070 0.0190 -0.0155 4 ASP 28 O 0.0103 0.0096 -0.0182 5 ASP 28 CB -0.0104 -0.0184 -0.0136 6 ASP 28 CG 0.0121 -0.0189 -0.0229 7 ASP 28 OD1 0.0122 -0.0067 -0.0213 8 ASP 28 OD2 0.0292 -0.0324 -0.0319 9 ASP 28 H -0.0522 0.0006 0.0064 10 ASP 28 HA -0.0177 0.0224 -0.0048 11 ASP 28 HB2 -0.0260 -0.0252 -0.0081 12 ASP 28 HB3 -0.0081 -0.0319 -0.0164 13 PRO 29 N 0.0064 -0.0328 -0.0094 14 PRO 29 CA 0.0276 -0.0290 -0.0094 15 PRO 29 C 0.0437 -0.0463 -0.0156 16 PRO 29 O 0.0461 -0.0524 -0.0176 17 PRO 29 CB 0.0359 -0.0082 -0.0034 18 PRO 29 CG 0.0163 0.0016 0.0007 19 PRO 29 CD 0.0010 -0.0159 -0.0039 20 PRO 29 HA 0.0258 -0.0274 -0.0088 21 PRO 29 HB2 0.0484 -0.0117 -0.0051 22 PRO 29 HB3 0.0430 0.0014 -0.0008 23 PRO 29 HG2 0.0211 0.0106 0.0033 24 PRO 29 HG3 0.0085 0.0117 0.0043 25 PRO 29 HD2 0.0040 -0.0207 -0.0056 26 PRO 29 HD3 -0.0158 -0.0110 -0.0015 27 ASN 30 N 0.0094 0.0079 0.0079 28 ASN 30 CA -0.0030 0.0227 0.0030 29 ASN 30 C -0.0010 0.0373 0.0004 30 ASN 30 O -0.0114 0.0375 -0.0012 31 ASN 30 CB -0.0227 0.0152 0.0015 32 ASN 30 CG -0.0371 0.0296 -0.0036 33 ASN 30 OD1 -0.0412 0.0351 -0.0053 34 ASN 30 ND2 -0.0452 0.0354 -0.0060 35 ASN 30 H 0.0169 0.0044 0.0097 36 ASN 30 HA 0.0008 0.0291 0.0024 37 ASN 30 HB2 -0.0231 0.0063 0.0031 38 ASN 30 HB3 -0.0249 0.0073 0.0027 39 ASN 30 HD21 -0.0417 0.0303 -0.0045 40 ASN 30 HD22 -0.0544 0.0448 -0.0093 41 ALA 31 N -0.0024 0.0513 -0.0017 42 ALA 31 CA -0.0064 0.0446 -0.0048 43 ALA 31 C -0.0165 0.0274 -0.0128 44 ALA 31 O -0.0297 0.0293 -0.0242 45 ALA 31 CB -0.0133 0.0601 -0.0114 46 ALA 31 H -0.0079 0.0465 -0.0062 47 ALA 31 HA 0.0034 0.0404 0.0037 48 ALA 31 HB1 -0.0157 0.0547 -0.0132 49 ALA 31 HB2 -0.0231 0.0643 -0.0200 50 ALA 31 HB3 -0.0060 0.0722 -0.0056 51 GLU 32 N -0.0181 -0.0564 0.0514 52 GLU 32 CA 0.0069 -0.0430 0.0343 53 GLU 32 C -0.0223 -0.0613 0.0013 54 GLU 32 O -0.0131 -0.0565 -0.0094 55 GLU 32 CB 0.0478 -0.0211 0.0044 56 GLU 32 CG 0.0389 -0.0285 -0.0434 57 GLU 32 CD 0.0810 -0.0059 -0.0721 58 GLU 32 OE1 0.0961 0.0011 -0.1053 59 GLU 32 OE2 0.1000 0.0055 -0.0620 60 GLU 32 H -0.0131 -0.0545 0.0324 61 GLU 32 HA 0.0164 -0.0359 0.0682 62 GLU 32 HB2 0.0657 -0.0114 -0.0070 63 GLU 32 HB3 0.0674 -0.0087 0.0295 64 GLU 32 HG2 0.0220 -0.0376 -0.0326 65 GLU 32 HG3 0.0182 -0.0416 -0.0680 66 PHE 33 N -0.0156 -0.0449 -0.0079 67 PHE 33 CA -0.0170 -0.0385 -0.0103 68 PHE 33 C -0.0193 -0.0287 -0.0150 69 PHE 33 O -0.0196 -0.0266 -0.0150 70 PHE 33 CB -0.0159 -0.0360 -0.0003 71 PHE 33 CG -0.0154 -0.0316 0.0082 72 PHE 33 CD1 -0.0170 -0.0213 0.0087 73 PHE 33 CD2 -0.0133 -0.0379 0.0155 74 PHE 33 CE1 -0.0165 -0.0174 0.0164 75 PHE 33 CE2 -0.0128 -0.0340 0.0232 76 PHE 33 CZ -0.0144 -0.0237 0.0236 77 PHE 33 H -0.0150 -0.0433 -0.0021 78 PHE 33 HA -0.0171 -0.0425 -0.0155 79 PHE 33 HB2 -0.0171 -0.0304 -0.0019 80 PHE 33 HB3 -0.0145 -0.0428 0.0024 81 PHE 33 HD1 -0.0186 -0.0163 0.0031 82 PHE 33 HD2 -0.0121 -0.0459 0.0152 83 PHE 33 HE1 -0.0177 -0.0093 0.0167 84 PHE 33 HE2 -0.0112 -0.0389 0.0289 85 PHE 33 HZ -0.0140 -0.0207 0.0296 86 ASP 34 N -0.0021 0.0129 -0.0022 87 ASP 34 CA -0.0030 0.0121 -0.0015 88 ASP 34 C -0.0059 0.0120 -0.0019 89 ASP 34 O -0.0069 0.0133 -0.0035 90 ASP 34 CB -0.0018 0.0131 -0.0023 91 ASP 34 CG -0.0024 0.0121 -0.0014 92 ASP 34 OD1 -0.0045 0.0121 -0.0018 93 ASP 34 OD2 -0.0007 0.0113 -0.0003 94 ASP 34 H -0.0021 0.0142 -0.0035 95 ASP 34 HA -0.0025 0.0107 0.0000 96 ASP 34 HB2 0.0003 0.0133 -0.0021 97 ASP 34 HB3 -0.0024 0.0144 -0.0037 98 PRO 35 N -0.0183 0.0047 -0.0029 99 PRO 35 CA -0.0188 0.0051 -0.0025 100 PRO 35 C -0.0137 0.0080 -0.0006 101 PRO 35 O -0.0136 0.0085 -0.0002 102 PRO 35 CB -0.0188 -0.0001 -0.0064 103 PRO 35 CG -0.0147 -0.0023 -0.0084 104 PRO 35 CD -0.0156 0.0001 -0.0065 105 PRO 35 HA -0.0230 0.0066 -0.0011 106 PRO 35 HB2 -0.0172 -0.0002 -0.0067 107 PRO 35 HB3 -0.0233 -0.0016 -0.0074 108 PRO 35 HG2 -0.0101 -0.0018 -0.0083 109 PRO 35 HG3 -0.0158 -0.0061 -0.0112 110 PRO 35 HD2 -0.0114 0.0007 -0.0063 111 PRO 35 HD3 -0.0187 -0.0020 -0.0079 112 ASP 36 N -0.0284 -0.0233 0.0171 113 ASP 36 CA -0.0259 -0.0102 0.0133 114 ASP 36 C -0.0254 0.0261 0.0017 115 ASP 36 O -0.0383 0.0420 -0.0057 116 ASP 36 CB 0.0055 -0.0212 0.0225 117 ASP 36 CG 0.0101 -0.0073 0.0188 118 ASP 36 OD1 -0.0082 -0.0181 0.0191 119 ASP 36 OD2 0.0327 0.0151 0.0157 120 ASP 36 H -0.0081 -0.0226 0.0205 121 ASP 36 HA -0.0479 -0.0193 0.0123 122 ASP 36 HB2 0.0035 -0.0474 0.0306 123 ASP 36 HB3 0.0273 -0.0139 0.0241 124 LEU 37 N -0.0016 0.0229 0.0010 125 LEU 37 CA -0.0014 0.0214 0.0003 126 LEU 37 C -0.0003 0.0205 0.0020 127 LEU 37 O 0.0006 0.0199 0.0034 128 LEU 37 CB -0.0015 0.0196 -0.0013 129 LEU 37 CG -0.0027 0.0201 -0.0034 130 LEU 37 CD1 -0.0034 0.0210 -0.0044 131 LEU 37 CD2 -0.0032 0.0217 -0.0034 132 LEU 37 H -0.0013 0.0224 0.0013 133 LEU 37 HA -0.0021 0.0223 -0.0005 134 LEU 37 HB2 -0.0010 0.0190 -0.0006 135 LEU 37 HB3 -0.0011 0.0183 -0.0014 136 LEU 37 HG -0.0026 0.0187 -0.0044 137 LEU 37 HD11 -0.0042 0.0213 -0.0060 138 LEU 37 HD12 -0.0035 0.0224 -0.0036 139 LEU 37 HD13 -0.0031 0.0198 -0.0046 140 LEU 37 HD21 -0.0040 0.0220 -0.0049 141 LEU 37 HD22 -0.0027 0.0210 -0.0028 142 LEU 37 HD23 -0.0033 0.0232 -0.0025 143 PRO 38 N 0.0097 -0.0046 0.0049 144 PRO 38 CA 0.0155 -0.0074 0.0047 145 PRO 38 C 0.0123 -0.0064 0.0051 146 PRO 38 O 0.0059 -0.0081 0.0077 147 PRO 38 CB 0.0172 -0.0155 0.0082 148 PRO 38 CG 0.0147 -0.0161 0.0092 149 PRO 38 CD 0.0080 -0.0103 0.0082 150 PRO 38 HA 0.0208 -0.0048 0.0019 151 PRO 38 HB2 0.0139 -0.0186 0.0106 152 PRO 38 HB3 0.0233 -0.0173 0.0073 153 PRO 38 HG2 0.0128 -0.0214 0.0123 154 PRO 38 HG3 0.0194 -0.0153 0.0074 155 PRO 38 HD2 0.0025 -0.0123 0.0107 156 PRO 38 HD3 0.0079 -0.0083 0.0072 157 GLY 39 N 0.0073 -0.0028 0.0115 158 GLY 39 CA 0.0073 -0.0004 0.0111 159 GLY 39 C 0.0059 0.0025 0.0123 160 GLY 39 O 0.0051 0.0043 0.0129 161 GLY 39 H 0.0085 -0.0031 0.0101 162 GLY 39 HA2 0.0088 0.0002 0.0092 163 GLY 39 HA3 0.0067 -0.0014 0.0120 164 GLY 40 N -0.0014 0.0187 -0.0043 165 GLY 40 CA 0.0001 0.0174 -0.0033 166 GLY 40 C 0.0024 0.0182 -0.0026 167 GLY 40 O 0.0039 0.0175 -0.0018 168 GLY 40 H -0.0023 0.0180 -0.0044 169 GLY 40 HA2 -0.0003 0.0157 -0.0028 170 GLY 40 HA3 -0.0001 0.0176 -0.0034 171 GLY 41 N 0.0028 0.0130 0.0017 172 GLY 41 CA 0.0015 0.0126 0.0024 173 GLY 41 C 0.0028 0.0134 0.0020 174 GLY 41 O 0.0020 0.0134 0.0026 175 GLY 41 H 0.0030 0.0119 0.0006 176 GLY 41 HA2 0.0006 0.0110 0.0017 177 GLY 41 HA3 0.0004 0.0134 0.0038 178 LEU 42 N 0.0147 0.0082 0.0023 179 LEU 42 CA 0.0145 0.0229 0.0012 180 LEU 42 C 0.0154 0.0212 -0.0016 181 LEU 42 O 0.0148 0.0324 -0.0009 182 LEU 42 CB 0.0177 0.0320 -0.0115 183 LEU 42 CG 0.0173 0.0350 -0.0104 184 LEU 42 CD1 0.0206 0.0439 -0.0240 185 LEU 42 CD2 0.0132 0.0436 0.0038 186 LEU 42 H 0.0173 0.0037 -0.0070 187 LEU 42 HA 0.0116 0.0292 0.0114 188 LEU 42 HB2 0.0206 0.0257 -0.0216 189 LEU 42 HB3 0.0175 0.0428 -0.0121 190 LEU 42 HG 0.0176 0.0241 -0.0102 191 LEU 42 HD11 0.0203 0.0460 -0.0230 192 LEU 42 HD12 0.0205 0.0547 -0.0248 193 LEU 42 HD13 0.0235 0.0372 -0.0339 194 LEU 42 HD21 0.0129 0.0544 0.0039 195 LEU 42 HD22 0.0131 0.0457 0.0041 196 LEU 42 HD23 0.0109 0.0367 0.0133 197 HIS 43 N 0.0142 0.0014 0.0204 198 HIS 43 CA 0.0154 -0.0020 0.0152 199 HIS 43 C 0.0093 -0.0000 0.0082 200 HIS 43 O 0.0041 0.0046 0.0089 201 HIS 43 CB 0.0168 -0.0012 0.0195 202 HIS 43 CG 0.0224 -0.0024 0.0273 203 HIS 43 ND1 0.0292 -0.0079 0.0275 204 HIS 43 CD2 0.0221 0.0014 0.0351 205 HIS 43 CE1 0.0328 -0.0076 0.0351 206 HIS 43 NE2 0.0287 -0.0020 0.0398 207 HIS 43 H 0.0100 0.0057 0.0223 208 HIS 43 HA 0.0198 -0.0066 0.0129 209 HIS 43 HB2 0.0122 0.0032 0.0207 210 HIS 43 HB3 0.0183 -0.0042 0.0154 211 HIS 43 HD1 0.0311 -0.0116 0.0228 212 HIS 43 HD2 0.0176 0.0061 0.0373 213 HIS 43 HE1 0.0383 -0.0113 0.0370 214 HIS 43 HE2 0.0302 -0.0007 0.0456 215 ARG 44 N 0.0147 -0.0109 -0.0208 216 ARG 44 CA 0.0060 -0.0159 -0.0224 217 ARG 44 C 0.0058 -0.0248 -0.0262 218 ARG 44 O 0.0099 -0.0259 -0.0269 219 ARG 44 CB -0.0027 -0.0113 -0.0198 220 ARG 44 CG -0.0031 -0.0014 -0.0155 221 ARG 44 CD -0.0116 0.0024 -0.0133 222 ARG 44 NE -0.0121 0.0121 -0.0091 223 ARG 44 CZ -0.0196 0.0168 -0.0066 224 ARG 44 NH1 -0.0270 0.0126 -0.0079 225 ARG 44 NH2 -0.0197 0.0256 -0.0029 226 ARG 44 H 0.0167 -0.0100 -0.0206 227 ARG 44 HA 0.0050 -0.0165 -0.0226 228 ARG 44 HB2 -0.0029 -0.0127 -0.0204 229 ARG 44 HB3 -0.0091 -0.0145 -0.0207 230 ARG 44 HG2 -0.0038 -0.0002 -0.0150 231 ARG 44 HG3 0.0037 0.0015 -0.0148 232 ARG 44 HD2 -0.0110 0.0006 -0.0141 233 ARG 44 HD3 -0.0181 -0.0006 -0.0142 234 ARG 44 HE -0.0066 0.0152 -0.0082 235 ARG 44 HH11 -0.0273 0.0060 -0.0107 236 ARG 44 HH12 -0.0327 0.0160 -0.0061 237 ARG 44 HH21 -0.0143 0.0291 -0.0017 238 ARG 44 HH22 -0.0253 0.0292 -0.0009 239 CYS 45 N 0.0045 -0.0152 -0.0256 240 CYS 45 CA 0.0058 -0.0117 -0.0243 241 CYS 45 C 0.0095 -0.0125 -0.0227 242 CYS 45 O 0.0111 -0.0143 -0.0223 243 CYS 45 CB 0.0049 -0.0097 -0.0242 244 CYS 45 SG 0.0071 -0.0055 -0.0223 245 CYS 45 H 0.0046 -0.0169 -0.0260 246 CYS 45 HA 0.0048 -0.0102 -0.0244 247 CYS 45 HB2 0.0023 -0.0089 -0.0253 248 CYS 45 HB3 0.0054 -0.0115 -0.0244 249 LEU 46 N -0.0067 -0.0162 -0.0286 250 LEU 46 CA 0.0011 -0.0193 -0.0076 251 LEU 46 C 0.0121 -0.0280 0.0139 252 LEU 46 O 0.0236 -0.0429 0.0258 253 LEU 46 CB -0.0084 0.0034 0.0011 254 LEU 46 CG -0.0192 0.0126 -0.0187 255 LEU 46 CD1 -0.0287 0.0362 -0.0087 256 LEU 46 CD2 -0.0127 -0.0046 -0.0278 257 LEU 46 H -0.0164 -0.0003 -0.0326 258 LEU 46 HA 0.0061 -0.0324 -0.0146 259 LEU 46 HB2 -0.0135 0.0165 0.0077 260 LEU 46 HB3 -0.0024 0.0008 0.0168 261 LEU 46 HG -0.0248 0.0144 -0.0344 262 LEU 46 HD11 -0.0340 0.0486 -0.0041 263 LEU 46 HD12 -0.0361 0.0421 -0.0228 264 LEU 46 HD13 -0.0229 0.0345 0.0082 265 LEU 46 HD21 -0.0067 -0.0207 -0.0366 266 LEU 46 HD22 -0.0063 -0.0078 -0.0119 267 LEU 46 HD23 -0.0206 0.0028 -0.0413 268 ALA 47 N 0.0038 -0.0043 0.0082 269 ALA 47 CA 0.0072 -0.0076 0.0160 270 ALA 47 C 0.0108 -0.0201 0.0133 271 ALA 47 O 0.0147 -0.0252 0.0205 272 ALA 47 CB 0.0044 0.0001 0.0153 273 ALA 47 H 0.0001 0.0015 0.0029 274 ALA 47 HA 0.0094 -0.0064 0.0248 275 ALA 47 HB1 0.0070 -0.0021 0.0215 276 ALA 47 HB2 0.0022 -0.0011 0.0067 277 ALA 47 HB3 0.0019 0.0089 0.0173 278 CYS 48 N 0.0263 -0.0185 -0.0091 279 CYS 48 CA 0.0279 -0.0243 -0.0107 280 CYS 48 C 0.0320 -0.0380 -0.0142 281 CYS 48 O 0.0356 -0.0436 -0.0149 282 CYS 48 CB 0.0164 -0.0213 -0.0138 283 CYS 48 SG 0.0137 -0.0058 -0.0091 284 CYS 48 H 0.0199 -0.0205 -0.0122 285 CYS 48 HA 0.0354 -0.0202 -0.0065 286 CYS 48 HB2 0.0075 -0.0229 -0.0176 287 CYS 48 HB3 0.0181 -0.0258 -0.0148 288 ALA 49 N 0.0160 -0.0352 -0.0087 289 ALA 49 CA 0.0158 -0.0440 -0.0010 290 ALA 49 C 0.0089 -0.0548 -0.0115 291 ALA 49 O 0.0070 -0.0661 -0.0066 292 ALA 49 CB 0.0179 -0.0527 0.0135 293 ALA 49 H 0.0192 -0.0242 -0.0094 294 ALA 49 HA 0.0192 -0.0359 0.0017 295 ALA 49 HB1 0.0145 -0.0607 0.0109 296 ALA 49 HB2 0.0227 -0.0448 0.0207 297 ALA 49 HB3 0.0179 -0.0585 0.0192 298 ARG 50 N 0.0297 -0.0389 -0.0064 299 ARG 50 CA 0.0120 -0.0487 -0.0128 300 ARG 50 C -0.0044 -0.0567 -0.0185 301 ARG 50 O -0.0087 -0.0461 -0.0185 302 ARG 50 CB 0.0013 -0.0323 -0.0139 303 ARG 50 CG 0.0163 -0.0246 -0.0086 304 ARG 50 CD 0.0045 -0.0085 -0.0101 305 ARG 50 NE 0.0188 -0.0004 -0.0049 306 ARG 50 CZ 0.0130 0.0154 -0.0047 307 ARG 50 NH1 -0.0071 0.0240 -0.0095 308 ARG 50 NH2 0.0272 0.0220 0.0003 309 ARG 50 H 0.0276 -0.0242 -0.0052 310 ARG 50 HA 0.0185 -0.0632 -0.0126 311 ARG 50 HB2 -0.0048 -0.0177 -0.0139 312 ARG 50 HB3 -0.0123 -0.0404 -0.0188 313 ARG 50 HG2 0.0222 -0.0391 -0.0086 314 ARG 50 HG3 0.0299 -0.0163 -0.0036 315 ARG 50 HD2 -0.0017 0.0058 -0.0102 316 ARG 50 HD3 -0.0089 -0.0170 -0.0150 317 ARG 50 HE 0.0336 -0.0074 -0.0014 318 ARG 50 HH11 -0.0184 0.0193 -0.0134 319 ARG 50 HH12 -0.0122 0.0356 -0.0096 320 ARG 50 HH21 0.0425 0.0156 0.0039 321 ARG 50 HH22 0.0232 0.0340 0.0005 322 TYR 51 N 0.0059 -0.0232 0.0017 323 TYR 51 CA 0.0076 -0.0200 -0.0001 324 TYR 51 C 0.0136 -0.0213 0.0007 325 TYR 51 O 0.0173 -0.0217 0.0009 326 TYR 51 CB 0.0074 -0.0148 -0.0031 327 TYR 51 CG 0.0016 -0.0133 -0.0039 328 TYR 51 CD1 0.0002 -0.0142 -0.0035 329 TYR 51 CD2 -0.0024 -0.0111 -0.0052 330 TYR 51 CE1 -0.0050 -0.0129 -0.0042 331 TYR 51 CE2 -0.0077 -0.0098 -0.0060 332 TYR 51 CZ -0.0089 -0.0107 -0.0055 333 TYR 51 OH -0.0141 -0.0093 -0.0063 334 TYR 51 H 0.0076 -0.0225 0.0013 335 TYR 51 HA 0.0047 -0.0202 0.0000 336 TYR 51 HB2 0.0104 -0.0145 -0.0032 337 TYR 51 HB3 0.0086 -0.0123 -0.0045 338 TYR 51 HD1 0.0033 -0.0159 -0.0025 339 TYR 51 HD2 -0.0014 -0.0104 -0.0056 340 TYR 51 HE1 -0.0060 -0.0136 -0.0038 341 TYR 51 HE2 -0.0108 -0.0080 -0.0070 342 TYR 51 HH -0.0134 -0.0079 -0.0071 343 PHE 52 N -0.0043 -0.0056 0.0145 344 PHE 52 CA -0.0049 -0.0047 0.0198 345 PHE 52 C -0.0035 -0.0066 0.0277 346 PHE 52 O -0.0004 -0.0111 0.0286 347 PHE 52 CB -0.0022 -0.0086 0.0173 348 PHE 52 CG -0.0034 -0.0069 0.0094 349 PHE 52 CD1 -0.0016 -0.0094 0.0029 350 PHE 52 CD2 -0.0062 -0.0028 0.0086 351 PHE 52 CE1 -0.0027 -0.0079 -0.0044 352 PHE 52 CE2 -0.0073 -0.0012 0.0014 353 PHE 52 CZ -0.0055 -0.0038 -0.0051 354 PHE 52 H -0.0013 -0.0099 0.0133 355 PHE 52 HA -0.0083 0.0003 0.0199 356 PHE 52 HB2 0.0013 -0.0135 0.0174 357 PHE 52 HB3 -0.0027 -0.0078 0.0215 358 PHE 52 HD1 0.0006 -0.0126 0.0034 359 PHE 52 HD2 -0.0076 -0.0008 0.0137 360 PHE 52 HE1 -0.0013 -0.0099 -0.0095 361 PHE 52 HE2 -0.0095 0.0020 0.0008 362 PHE 52 HZ -0.0064 -0.0026 -0.0108 363 ILE 53 N -0.0018 -0.0118 0.0362 364 ILE 53 CA -0.0028 -0.0096 0.0226 365 ILE 53 C -0.0073 0.0061 0.0160 366 ILE 53 O -0.0091 0.0119 0.0094 367 ILE 53 CB -0.0001 -0.0211 0.0101 368 ILE 53 CG1 -0.0005 -0.0204 0.0058 369 ILE 53 CG2 0.0042 -0.0366 0.0151 370 ILE 53 CD1 0.0020 -0.0310 -0.0068 371 ILE 53 H 0.0003 -0.0194 0.0356 372 ILE 53 HA -0.0022 -0.0113 0.0259 373 ILE 53 HB -0.0012 -0.0182 0.0001 374 ILE 53 HG12 0.0005 -0.0229 0.0159 375 ILE 53 HG13 -0.0036 -0.0092 0.0022 376 ILE 53 HG21 0.0054 -0.0395 0.0256 377 ILE 53 HG22 0.0044 -0.0369 0.0171 378 ILE 53 HG23 0.0061 -0.0446 0.0062 379 ILE 53 HD11 0.0009 -0.0284 -0.0172 380 ILE 53 HD12 0.0016 -0.0299 -0.0089 381 ILE 53 HD13 0.0051 -0.0422 -0.0034 382 ASP 54 N -0.0178 0.0044 0.0312 383 ASP 54 CA -0.0160 0.0156 0.0255 384 ASP 54 C -0.0114 0.0263 0.0268 385 ASP 54 O -0.0114 0.0245 0.0284 386 ASP 54 CB -0.0222 0.0147 0.0122 387 ASP 54 CG -0.0208 0.0256 0.0057 388 ASP 54 OD1 -0.0203 0.0263 0.0063 389 ASP 54 OD2 -0.0203 0.0337 -0.0002 390 ASP 54 H -0.0180 0.0037 0.0316 391 ASP 54 HA -0.0137 0.0169 0.0298 392 ASP 54 HB2 -0.0255 0.0068 0.0116 393 ASP 54 HB3 -0.0244 0.0136 0.0080 394 SER 55 N -0.0065 0.0300 0.0060 395 SER 55 CA -0.0069 0.0448 0.0154 396 SER 55 C -0.0055 0.0358 0.0003 397 SER 55 O -0.0070 0.0348 0.0119 398 SER 55 CB -0.0048 0.0754 0.0123 399 SER 55 OG -0.0050 0.0911 0.0202 400 SER 55 H -0.0049 0.0404 -0.0026 401 SER 55 HA -0.0097 0.0404 0.0364 402 SER 55 HB2 -0.0062 0.0808 0.0253 403 SER 55 HB3 -0.0020 0.0802 -0.0079 404 SER 55 HG -0.0029 0.0937 0.0050 405 THR 56 N -0.0099 0.0625 0.0065 406 THR 56 CA -0.0023 0.0462 -0.0028 407 THR 56 C -0.0048 0.0192 0.0094 408 THR 56 O -0.0061 0.0076 0.0151 409 THR 56 CB 0.0120 0.0446 -0.0282 410 THR 56 OG1 0.0140 0.0702 -0.0390 411 THR 56 CG2 0.0200 0.0307 -0.0389 412 THR 56 H -0.0053 0.0690 -0.0037 413 THR 56 HA -0.0050 0.0544 -0.0001 414 THR 56 HB 0.0146 0.0342 -0.0299 415 THR 56 HG1 0.0118 0.0753 -0.0365 416 THR 56 HG21 0.0301 0.0298 -0.0568 417 THR 56 HG22 0.0172 0.0408 -0.0365 418 THR 56 HG23 0.0186 0.0116 -0.0309 419 ASN 57 N -0.0189 0.0179 0.0174 420 ASN 57 CA -0.0214 0.0155 0.0176 421 ASN 57 C -0.0174 0.0177 0.0198 422 ASN 57 O -0.0183 0.0184 0.0176 423 ASN 57 CB -0.0248 0.0099 0.0214 424 ASN 57 CG -0.0304 0.0071 0.0181 425 ASN 57 OD1 -0.0341 0.0055 0.0155 426 ASN 57 ND2 -0.0309 0.0064 0.0183 427 ASN 57 H -0.0190 0.0158 0.0203 428 ASN 57 HA -0.0240 0.0162 0.0131 429 ASN 57 HB2 -0.0227 0.0093 0.0250 430 ASN 57 HB3 -0.0251 0.0084 0.0232 431 ASN 57 HD21 -0.0279 0.0077 0.0204 432 ASN 57 HD22 -0.0345 0.0046 0.0162 433 LEU 58 N -0.0143 0.0103 0.0164 434 LEU 58 CA -0.0115 0.0091 0.0103 435 LEU 58 C -0.0093 0.0077 0.0066 436 LEU 58 O -0.0093 0.0099 0.0011 437 LEU 58 CB -0.0084 0.0048 0.0112 438 LEU 58 CG -0.0047 0.0024 0.0054 439 LEU 58 CD1 -0.0011 -0.0019 0.0043 440 LEU 58 CD2 -0.0062 0.0066 -0.0005 441 LEU 58 H -0.0136 0.0079 0.0203 442 LEU 58 HA -0.0135 0.0127 0.0076 443 LEU 58 HB2 -0.0103 0.0065 0.0129 444 LEU 58 HB3 -0.0071 0.0017 0.0150 445 LEU 58 HG -0.0034 0.0003 0.0063 446 LEU 58 HD11 0.0015 -0.0036 0.0002 447 LEU 58 HD12 -0.0021 -0.0002 0.0034 448 LEU 58 HD13 0.0001 -0.0050 0.0085 449 LEU 58 HD21 -0.0073 0.0085 -0.0017 450 LEU 58 HD22 -0.0036 0.0047 -0.0044 451 LEU 58 HD23 -0.0087 0.0094 0.0004 452 LYS 59 N -0.0149 0.0099 0.0033 453 LYS 59 CA -0.0153 0.0037 0.0052 454 LYS 59 C -0.0134 0.0052 0.0087 455 LYS 59 O -0.0144 0.0017 0.0080 456 LYS 59 CB -0.0146 -0.0015 0.0090 457 LYS 59 CG -0.0114 0.0005 0.0152 458 LYS 59 CD -0.0111 -0.0047 0.0184 459 LYS 59 CE -0.0116 -0.0114 0.0203 460 LYS 59 NZ -0.0093 -0.0108 0.0251 461 LYS 59 H -0.0140 0.0109 0.0047 462 LYS 59 HA -0.0176 0.0017 0.0009 463 LYS 59 HB2 -0.0151 -0.0061 0.0099 464 LYS 59 HB3 -0.0161 -0.0025 0.0062 465 LYS 59 HG2 -0.0109 0.0053 0.0144 466 LYS 59 HG3 -0.0099 0.0012 0.0183 467 LYS 59 HD2 -0.0127 -0.0057 0.0151 468 LYS 59 HD3 -0.0088 -0.0028 0.0225 469 LYS 59 HE2 -0.0138 -0.0133 0.0162 470 LYS 59 HE3 -0.0115 -0.0150 0.0221 471 LYS 59 HZ1 -0.0071 -0.0093 0.0292 472 LYS 59 HZ2 -0.0097 -0.0155 0.0263 473 LYS 59 HZ3 -0.0092 -0.0074 0.0237 474 THR 60 N -0.0147 -0.0003 0.0101 475 THR 60 CA -0.0174 0.0058 0.0103 476 THR 60 C -0.0248 0.0124 -0.0042 477 THR 60 O -0.0266 0.0126 -0.0099 478 THR 60 CB -0.0183 0.0170 0.0240 479 THR 60 OG1 -0.0113 0.0104 0.0374 480 THR 60 CG2 -0.0212 0.0235 0.0244 481 THR 60 H -0.0143 0.0037 0.0175 482 THR 60 HA -0.0134 -0.0027 0.0109 483 THR 60 HB -0.0222 0.0249 0.0230 484 THR 60 HG1 -0.0101 0.0085 0.0384 485 THR 60 HG21 -0.0218 0.0313 0.0341 486 THR 60 HG22 -0.0173 0.0153 0.0250 487 THR 60 HG23 -0.0265 0.0285 0.0145 488 HIS 61 N -0.0199 0.0086 -0.0060 489 HIS 61 CA -0.0181 0.0117 -0.0105 490 HIS 61 C -0.0136 0.0127 -0.0157 491 HIS 61 O -0.0131 0.0168 -0.0199 492 HIS 61 CB -0.0164 0.0088 -0.0095 493 HIS 61 CG -0.0128 0.0104 -0.0144 494 HIS 61 ND1 -0.0145 0.0155 -0.0174 495 HIS 61 CD2 -0.0074 0.0076 -0.0170 496 HIS 61 CE1 -0.0102 0.0157 -0.0216 497 HIS 61 NE2 -0.0060 0.0110 -0.0214 498 HIS 61 H -0.0193 0.0049 -0.0032 499 HIS 61 HA -0.0215 0.0157 -0.0108 500 HIS 61 HB2 -0.0200 0.0099 -0.0070 501 HIS 61 HB3 -0.0144 0.0044 -0.0074 502 HIS 61 HD1 -0.0182 0.0186 -0.0166 503 HIS 61 HD2 -0.0048 0.0034 -0.0158 504 HIS 61 HE1 -0.0096 0.0189 -0.0251 505 PHE 62 N -0.0048 0.0012 -0.0182 506 PHE 62 CA -0.0037 0.0004 -0.0205 507 PHE 62 C -0.0038 0.0006 -0.0211 508 PHE 62 O -0.0029 -0.0001 -0.0228 509 PHE 62 CB -0.0019 -0.0018 -0.0205 510 PHE 62 CG -0.0017 -0.0023 -0.0198 511 PHE 62 CD1 -0.0022 -0.0013 -0.0210 512 PHE 62 CD2 -0.0008 -0.0037 -0.0178 513 PHE 62 CE1 -0.0020 -0.0018 -0.0202 514 PHE 62 CE2 -0.0006 -0.0042 -0.0171 515 PHE 62 CZ -0.0012 -0.0033 -0.0183 516 PHE 62 H -0.0044 0.0003 -0.0166 517 PHE 62 HA -0.0042 0.0012 -0.0220 518 PHE 62 HB2 -0.0013 -0.0028 -0.0194 519 PHE 62 HB3 -0.0014 -0.0020 -0.0225 520 PHE 62 HD1 -0.0029 -0.0002 -0.0225 521 PHE 62 HD2 -0.0004 -0.0045 -0.0169 522 PHE 62 HE1 -0.0025 -0.0010 -0.0212 523 PHE 62 HE2 0.0001 -0.0054 -0.0155 524 PHE 62 HZ -0.0009 -0.0037 -0.0175 525 ARG 63 N -0.0105 -0.0153 -0.0284 526 ARG 63 CA -0.0102 -0.0159 -0.0287 527 ARG 63 C -0.0133 -0.0121 -0.0355 528 ARG 63 O -0.0136 -0.0118 -0.0365 529 ARG 63 CB -0.0106 -0.0139 -0.0209 530 ARG 63 CG -0.0069 -0.0186 -0.0144 531 ARG 63 CD -0.0075 -0.0164 -0.0066 532 ARG 63 NE -0.0078 -0.0159 -0.0073 533 ARG 63 CZ -0.0076 -0.0152 -0.0012 534 ARG 63 NH1 -0.0068 -0.0151 0.0062 535 ARG 63 NH2 -0.0081 -0.0146 -0.0024 536 ARG 63 H -0.0119 -0.0124 -0.0243 537 ARG 63 HA -0.0070 -0.0212 -0.0301 538 ARG 63 HB2 -0.0136 -0.0089 -0.0190 539 ARG 63 HB3 -0.0106 -0.0139 -0.0216 540 ARG 63 HG2 -0.0039 -0.0236 -0.0162 541 ARG 63 HG3 -0.0068 -0.0187 -0.0137 542 ARG 63 HD2 -0.0047 -0.0199 -0.0023 543 ARG 63 HD3 -0.0104 -0.0115 -0.0047 544 ARG 63 HE -0.0082 -0.0162 -0.0127 545 ARG 63 HH11 -0.0064 -0.0156 0.0074 546 ARG 63 HH12 -0.0067 -0.0145 0.0109 547 ARG 63 HH21 -0.0086 -0.0147 -0.0080 548 ARG 63 HH22 -0.0080 -0.0140 0.0019 549 SER 64 N 0.0040 -0.0047 -0.0163 550 SER 64 CA 0.0060 -0.0046 -0.0139 551 SER 64 C 0.0026 -0.0051 -0.0121 552 SER 64 O 0.0007 -0.0052 -0.0142 553 SER 64 CB 0.0086 -0.0040 -0.0166 554 SER 64 OG 0.0111 -0.0035 -0.0192 555 SER 64 H 0.0037 -0.0045 -0.0192 556 SER 64 HA 0.0078 -0.0045 -0.0116 557 SER 64 HB2 0.0067 -0.0041 -0.0185 558 SER 64 HB3 0.0105 -0.0039 -0.0148 559 SER 64 HG 0.0132 -0.0034 -0.0176 560 LYS 65 N 0.0186 0.0302 0.0551 561 LYS 65 CA 0.0141 -0.0165 0.0259 562 LYS 65 C -0.0125 -0.0100 -0.0248 563 LYS 65 O -0.0191 -0.0411 -0.0517 564 LYS 65 CB 0.0282 -0.0505 0.0396 565 LYS 65 CG 0.0256 -0.0270 0.0446 566 LYS 65 CD 0.0003 -0.0112 0.0004 567 LYS 65 CE -0.0011 0.0116 0.0075 568 LYS 65 NZ -0.0258 0.0299 -0.0344 569 LYS 65 H 0.0273 0.0397 0.0767 570 LYS 65 HA 0.0213 -0.0352 0.0322 571 LYS 65 HB2 0.0222 -0.0815 0.0141 572 LYS 65 HB3 0.0471 -0.0648 0.0713 573 LYS 65 HG2 0.0375 -0.0537 0.0569 574 LYS 65 HG3 0.0310 0.0048 0.0692 575 LYS 65 HD2 -0.0119 0.0154 -0.0127 576 LYS 65 HD3 -0.0046 -0.0437 -0.0236 577 LYS 65 HE2 0.0102 -0.0163 0.0181 578 LYS 65 HE3 0.0054 0.0419 0.0336 579 LYS 65 HZ1 -0.0328 0.0017 -0.0607 580 LYS 65 HZ2 -0.0372 0.0577 -0.0454 581 LYS 65 HZ3 -0.0261 0.0444 -0.0287 582 ASP 66 N 0.0017 -0.0045 -0.0117 583 ASP 66 CA 0.0058 -0.0044 -0.0099 584 ASP 66 C 0.0052 -0.0059 -0.0164 585 ASP 66 O 0.0053 -0.0057 -0.0154 586 ASP 66 CB 0.0142 -0.0046 -0.0079 587 ASP 66 CG 0.0184 -0.0042 -0.0046 588 ASP 66 OD1 0.0184 -0.0025 0.0024 589 ASP 66 OD2 0.0219 -0.0055 -0.0088 590 ASP 66 H 0.0047 -0.0050 -0.0127 591 ASP 66 HA 0.0031 -0.0030 -0.0050 592 ASP 66 HB2 0.0144 -0.0037 -0.0040 593 ASP 66 HB3 0.0170 -0.0061 -0.0130 594 HIS 67 N 0.0028 -0.0037 -0.0126 595 HIS 67 CA 0.0022 -0.0020 -0.0115 596 HIS 67 C 0.0004 0.0037 -0.0097 597 HIS 67 O -0.0005 0.0049 -0.0055 598 HIS 67 CB 0.0030 -0.0023 -0.0166 599 HIS 67 CG 0.0026 -0.0011 -0.0160 600 HIS 67 ND1 0.0023 -0.0023 -0.0113 601 HIS 67 CD2 0.0029 -0.0004 -0.0199 602 HIS 67 CE1 0.0025 -0.0026 -0.0124 603 HIS 67 NE2 0.0029 -0.0015 -0.0175 604 HIS 67 H 0.0036 -0.0047 -0.0163 605 HIS 67 HA 0.0024 -0.0044 -0.0082 606 HIS 67 HB2 0.0043 -0.0063 -0.0180 607 HIS 67 HB3 0.0028 0.0003 -0.0199 608 HIS 67 HD1 0.0019 -0.0030 -0.0076 609 HIS 67 HD2 0.0030 0.0015 -0.0238 610 HIS 67 HE1 0.0023 -0.0034 -0.0096 611 LYS 68 N -0.0012 -0.0030 -0.0086 612 LYS 68 CA -0.0033 -0.0015 -0.0085 613 LYS 68 C -0.0050 -0.0024 -0.0061 614 LYS 68 O -0.0072 -0.0013 -0.0055 615 LYS 68 CB -0.0027 -0.0008 -0.0097 616 LYS 68 CG -0.0009 -0.0001 -0.0120 617 LYS 68 CD -0.0003 0.0005 -0.0132 618 LYS 68 CE 0.0008 -0.0014 -0.0120 619 LYS 68 NZ 0.0015 -0.0009 -0.0131 620 LYS 68 H 0.0003 -0.0037 -0.0090 621 LYS 68 HA -0.0041 -0.0002 -0.0093 622 LYS 68 HB2 -0.0021 -0.0021 -0.0088 623 LYS 68 HB3 -0.0043 0.0004 -0.0098 624 LYS 68 HG2 -0.0013 0.0011 -0.0130 625 LYS 68 HG3 0.0008 -0.0014 -0.0120 626 LYS 68 HD2 -0.0019 0.0017 -0.0132 627 LYS 68 HD3 0.0010 0.0010 -0.0149 628 LYS 68 HE2 0.0023 -0.0026 -0.0119 629 LYS 68 HE3 -0.0005 -0.0019 -0.0103 630 LYS 68 HZ1 0.0000 0.0003 -0.0132 631 LYS 68 HZ2 0.0022 -0.0022 -0.0123 632 LYS 68 HZ3 0.0027 -0.0004 -0.0147 633 LYS 69 N 0.0033 -0.0044 -0.0062 634 LYS 69 CA 0.0038 -0.0035 -0.0037 635 LYS 69 C 0.0051 -0.0044 -0.0019 636 LYS 69 O 0.0051 -0.0031 0.0000 637 LYS 69 CB 0.0045 -0.0045 -0.0034 638 LYS 69 CG 0.0056 -0.0044 -0.0008 639 LYS 69 CD 0.0062 -0.0058 -0.0011 640 LYS 69 CE 0.0074 -0.0060 0.0013 641 LYS 69 NZ 0.0080 -0.0074 0.0008 642 LYS 69 H 0.0033 -0.0054 -0.0073 643 LYS 69 HA 0.0029 -0.0016 -0.0033 644 LYS 69 HB2 0.0035 -0.0035 -0.0043 645 LYS 69 HB3 0.0051 -0.0063 -0.0044 646 LYS 69 HG2 0.0065 -0.0053 0.0001 647 LYS 69 HG3 0.0049 -0.0026 0.0002 648 LYS 69 HD2 0.0052 -0.0048 -0.0020 649 LYS 69 HD3 0.0067 -0.0075 -0.0022 650 LYS 69 HE2 0.0083 -0.0069 0.0024 651 LYS 69 HE3 0.0068 -0.0043 0.0024 652 LYS 69 HZ1 0.0088 -0.0077 0.0024 653 LYS 69 HZ2 0.0084 -0.0091 -0.0003 654 LYS 69 HZ3 0.0070 -0.0066 -0.0003 655 ARG 70 N 0.0020 0.0049 0.0086 656 ARG 70 CA 0.0009 0.0063 0.0055 657 ARG 70 C 0.0029 0.0031 0.0061 658 ARG 70 O 0.0032 0.0023 0.0025 659 ARG 70 CB -0.0019 0.0109 0.0071 660 ARG 70 CG -0.0033 0.0127 0.0037 661 ARG 70 CD -0.0038 0.0128 -0.0019 662 ARG 70 NE -0.0050 0.0143 -0.0053 663 ARG 70 CZ -0.0046 0.0131 -0.0102 664 ARG 70 NH1 -0.0029 0.0102 -0.0124 665 ARG 70 NH2 -0.0058 0.0147 -0.0130 666 ARG 70 H 0.0011 0.0067 0.0116 667 ARG 70 HA 0.0006 0.0062 0.0016 668 ARG 70 HB2 -0.0032 0.0130 0.0073 669 ARG 70 HB3 -0.0016 0.0108 0.0109 670 ARG 70 HG2 -0.0053 0.0160 0.0050 671 ARG 70 HG3 -0.0021 0.0107 0.0039 672 ARG 70 HD2 -0.0018 0.0095 -0.0031 673 ARG 70 HD3 -0.0051 0.0148 -0.0021 674 ARG 70 HE -0.0062 0.0164 -0.0038 675 ARG 70 HH11 -0.0020 0.0089 -0.0104 676 ARG 70 HH12 -0.0026 0.0092 -0.0161 677 ARG 70 HH21 -0.0071 0.0169 -0.0115 678 ARG 70 HH22 -0.0056 0.0139 -0.0168 679 LEU 71 N -0.0013 0.0027 0.0070 680 LEU 71 CA -0.0009 0.0043 0.0078 681 LEU 71 C -0.0004 0.0067 0.0086 682 LEU 71 O -0.0000 0.0078 0.0104 683 LEU 71 CB -0.0010 0.0048 0.0057 684 LEU 71 CG -0.0015 0.0026 0.0046 685 LEU 71 CD1 -0.0015 0.0035 0.0026 686 LEU 71 CD2 -0.0016 0.0011 0.0066 687 LEU 71 H -0.0015 0.0023 0.0052 688 LEU 71 HA -0.0009 0.0035 0.0093 689 LEU 71 HB2 -0.0010 0.0057 0.0042 690 LEU 71 HB3 -0.0007 0.0061 0.0063 691 LEU 71 HG -0.0018 0.0015 0.0037 692 LEU 71 HD11 -0.0012 0.0046 0.0034 693 LEU 71 HD12 -0.0015 0.0045 0.0011 694 LEU 71 HD13 -0.0019 0.0019 0.0018 695 LEU 71 HD21 -0.0016 0.0004 0.0079 696 LEU 71 HD22 -0.0013 0.0023 0.0076 697 LEU 71 HD23 -0.0019 -0.0004 0.0057 698 LYS 72 N -0.0033 0.0058 0.0042 699 LYS 72 CA -0.0051 0.0028 0.0043 700 LYS 72 C -0.0077 0.0022 0.0027 701 LYS 72 O -0.0101 0.0010 0.0015 702 LYS 72 CB -0.0035 0.0002 0.0066 703 LYS 72 CG -0.0053 -0.0031 0.0069 704 LYS 72 CD -0.0035 -0.0055 0.0093 705 LYS 72 CE -0.0052 -0.0088 0.0096 706 LYS 72 NZ -0.0035 -0.0112 0.0119 707 LYS 72 H -0.0013 0.0060 0.0055 708 LYS 72 HA -0.0058 0.0027 0.0038 709 LYS 72 HB2 -0.0017 0.0006 0.0077 710 LYS 72 HB3 -0.0028 0.0003 0.0071 711 LYS 72 HG2 -0.0070 -0.0037 0.0059 712 LYS 72 HG3 -0.0061 -0.0033 0.0064 713 LYS 72 HD2 -0.0018 -0.0049 0.0103 714 LYS 72 HD3 -0.0027 -0.0054 0.0098 715 LYS 72 HE2 -0.0069 -0.0095 0.0087 716 LYS 72 HE3 -0.0061 -0.0089 0.0090 717 LYS 72 HZ1 -0.0026 -0.0112 0.0126 718 LYS 72 HZ2 -0.0018 -0.0106 0.0129 719 LYS 72 HZ3 -0.0047 -0.0134 0.0121 720 GLN 73 N 0.0012 0.0044 0.0031 721 GLN 73 CA 0.0017 0.0045 0.0035 722 GLN 73 C 0.0017 0.0044 0.0017 723 GLN 73 O 0.0011 0.0044 0.0016 724 GLN 73 CB 0.0036 0.0048 0.0043 725 GLN 73 CG 0.0038 0.0049 0.0062 726 GLN 73 CD 0.0057 0.0052 0.0070 727 GLN 73 OE1 0.0071 0.0053 0.0060 728 GLN 73 NE2 0.0059 0.0053 0.0088 729 GLN 73 H 0.0021 0.0045 0.0033 730 GLN 73 HA 0.0007 0.0044 0.0044 731 GLN 73 HB2 0.0046 0.0049 0.0034 732 GLN 73 HB3 0.0040 0.0049 0.0045 733 GLN 73 HG2 0.0029 0.0048 0.0072 734 GLN 73 HG3 0.0033 0.0048 0.0060 735 GLN 73 HE21 0.0047 0.0051 0.0095 736 GLN 73 HE22 0.0071 0.0054 0.0094 737 LEU 74 N 0.0102 0.0117 0.0025 738 LEU 74 CA 0.0137 0.0066 0.0028 739 LEU 74 C 0.0184 -0.0023 0.0045 740 LEU 74 O 0.0228 -0.0070 0.0036 741 LEU 74 CB 0.0079 0.0068 0.0078 742 LEU 74 CG 0.0106 0.0025 0.0082 743 LEU 74 CD1 0.0156 0.0062 0.0014 744 LEU 74 CD2 0.0041 0.0033 0.0136 745 LEU 74 H 0.0050 0.0129 0.0064 746 LEU 74 HA 0.0173 0.0092 -0.0022 747 LEU 74 HB2 0.0044 0.0131 0.0068 748 LEU 74 HB3 0.0048 0.0038 0.0126 749 LEU 74 HG 0.0137 -0.0039 0.0097 750 LEU 74 HD11 0.0173 0.0032 0.0018 751 LEU 74 HD12 0.0126 0.0127 -0.0003 752 LEU 74 HD13 0.0203 0.0054 -0.0023 753 LEU 74 HD21 0.0009 0.0096 0.0122 754 LEU 74 HD22 0.0061 0.0002 0.0138 755 LEU 74 HD23 0.0007 0.0004 0.0185 756 SER 75 N 0.0014 0.0029 0.0021 757 SER 75 CA 0.0012 -0.0130 0.0025 758 SER 75 C 0.0037 -0.0074 0.0104 759 SER 75 O 0.0027 -0.0167 0.0077 760 SER 75 CB -0.0046 -0.0219 -0.0162 761 SER 75 OG -0.0049 -0.0380 -0.0160 762 SER 75 H 0.0042 0.0035 0.0111 763 SER 75 HA 0.0038 -0.0228 0.0116 764 SER 75 HB2 -0.0061 -0.0257 -0.0208 765 SER 75 HB3 -0.0071 -0.0120 -0.0252 766 SER 75 HG -0.0071 -0.0474 -0.0227 767 VAL 76 N 0.0005 0.0004 0.0140 768 VAL 76 CA -0.0004 -0.0010 0.0160 769 VAL 76 C -0.0008 -0.0030 0.0175 770 VAL 76 O -0.0000 -0.0053 0.0181 771 VAL 76 CB -0.0024 0.0008 0.0172 772 VAL 76 CG1 -0.0034 -0.0007 0.0193 773 VAL 76 CG2 -0.0021 0.0027 0.0157 774 VAL 76 H -0.0002 0.0022 0.0137 775 VAL 76 HA 0.0005 -0.0021 0.0155 776 VAL 76 HB -0.0033 0.0018 0.0177 777 VAL 76 HG11 -0.0047 0.0006 0.0201 778 VAL 76 HG12 -0.0025 -0.0018 0.0189 779 VAL 76 HG13 -0.0036 -0.0020 0.0204 780 VAL 76 HG21 -0.0035 0.0040 0.0166 781 VAL 76 HG22 -0.0015 0.0038 0.0143 782 VAL 76 HG23 -0.0012 0.0017 0.0152 783 GLU 77 N -0.0066 0.0009 0.0096 784 GLU 77 CA -0.0056 0.0022 0.0085 785 GLU 77 C -0.0053 0.0007 0.0085 786 GLU 77 O -0.0039 -0.0012 0.0078 787 GLU 77 CB -0.0035 0.0029 0.0066 788 GLU 77 CG -0.0021 0.0006 0.0059 789 GLU 77 CD -0.0001 0.0014 0.0041 790 GLU 77 OE1 0.0000 0.0027 0.0038 791 GLU 77 OE2 0.0015 0.0007 0.0029 792 GLU 77 H -0.0063 -0.0010 0.0098 793 GLU 77 HA -0.0066 0.0040 0.0089 794 GLU 77 HB2 -0.0027 0.0036 0.0058 795 GLU 77 HB3 -0.0038 0.0045 0.0065 796 GLU 77 HG2 -0.0029 -0.0001 0.0067 797 GLU 77 HG3 -0.0018 -0.0009 0.0060 798 PRO 78 N -0.0082 -0.0174 0.0124 799 PRO 78 CA -0.0080 -0.0123 0.0096 800 PRO 78 C -0.0135 -0.0142 0.0132 801 PRO 78 O -0.0128 -0.0208 0.0165 802 PRO 78 CB 0.0006 -0.0144 0.0067 803 PRO 78 CG 0.0050 -0.0186 0.0068 804 PRO 78 CD -0.0006 -0.0225 0.0117 805 PRO 78 HA -0.0096 -0.0064 0.0071 806 PRO 78 HB2 0.0010 -0.0180 0.0084 807 PRO 78 HB3 0.0026 -0.0093 0.0029 808 PRO 78 HG2 0.0100 -0.0226 0.0067 809 PRO 78 HG3 0.0070 -0.0146 0.0037 810 PRO 78 HD2 -0.0005 -0.0280 0.0146 811 PRO 78 HD3 0.0008 -0.0231 0.0113 812 TYR 79 N -0.0206 0.0007 -0.0026 813 TYR 79 CA -0.0190 0.0004 -0.0017 814 TYR 79 C -0.0243 0.0003 0.0063 815 TYR 79 O -0.0213 -0.0008 0.0142 816 TYR 79 CB -0.0089 -0.0008 -0.0013 817 TYR 79 CG -0.0037 -0.0006 -0.0098 818 TYR 79 CD1 0.0002 -0.0010 -0.0109 819 TYR 79 CD2 -0.0030 -0.0000 -0.0169 820 TYR 79 CE1 0.0048 -0.0008 -0.0187 821 TYR 79 CE2 0.0016 0.0002 -0.0247 822 TYR 79 CZ 0.0054 -0.0002 -0.0256 823 TYR 79 OH 0.0100 0.0000 -0.0335 824 TYR 79 H -0.0241 0.0016 -0.0078 825 TYR 79 HA -0.0219 0.0013 -0.0076 826 TYR 79 HB2 -0.0058 -0.0017 0.0043 827 TYR 79 HB3 -0.0083 -0.0010 -0.0003 828 TYR 79 HD1 -0.0003 -0.0014 -0.0054 829 TYR 79 HD2 -0.0060 0.0003 -0.0162 830 TYR 79 HE1 0.0078 -0.0010 -0.0193 831 TYR 79 HE2 0.0021 0.0006 -0.0302 832 TYR 79 HH 0.0061 0.0009 -0.0384 833 SER 80 N 0.0029 0.0013 -0.0068 834 SER 80 CA 0.0048 0.0027 -0.0077 835 SER 80 C 0.0082 0.0023 -0.0088 836 SER 80 O 0.0089 0.0015 -0.0088 837 SER 80 CB 0.0044 0.0010 -0.0072 838 SER 80 OG 0.0060 0.0024 -0.0081 839 SER 80 H 0.0029 -0.0010 -0.0062 840 SER 80 HA 0.0041 0.0052 -0.0080 841 SER 80 HB2 0.0020 0.0011 -0.0064 842 SER 80 HB3 0.0052 -0.0015 -0.0069 843 SER 80 HG 0.0047 0.0042 -0.0080 844 GLN 81 N 0.0210 0.0009 -0.0159 845 GLN 81 CA 0.0181 0.0010 -0.0149 846 GLN 81 C 0.0173 0.0042 -0.0140 847 GLN 81 O 0.0191 0.0062 -0.0143 848 GLN 81 CB 0.0173 -0.0002 -0.0149 849 GLN 81 CG 0.0141 -0.0005 -0.0139 850 GLN 81 CD 0.0133 -0.0015 -0.0138 851 GLN 81 OE1 0.0148 -0.0009 -0.0142 852 GLN 81 NE2 0.0109 -0.0031 -0.0133 853 GLN 81 H 0.0224 0.0004 -0.0164 854 GLN 81 HA 0.0169 -0.0002 -0.0147 855 GLN 81 HB2 0.0181 -0.0024 -0.0156 856 GLN 81 HB3 0.0182 0.0012 -0.0149 857 GLN 81 HG2 0.0133 0.0016 -0.0132 858 GLN 81 HG3 0.0132 -0.0021 -0.0139 859 GLN 81 HE21 0.0098 -0.0035 -0.0130 860 GLN 81 HE22 0.0103 -0.0037 -0.0132 861 GLU 82 N 0.0080 0.0038 0.0016 862 GLU 82 CA 0.0086 0.0026 0.0023 863 GLU 82 C 0.0062 0.0057 0.0063 864 GLU 82 O 0.0062 0.0055 0.0074 865 GLU 82 CB 0.0114 -0.0027 0.0036 866 GLU 82 CG 0.0122 -0.0043 0.0042 867 GLU 82 CD 0.0150 -0.0095 0.0051 868 GLU 82 OE1 0.0154 -0.0114 0.0096 869 GLU 82 OE2 0.0169 -0.0119 0.0014 870 GLU 82 H 0.0073 0.0059 -0.0015 871 GLU 82 HA 0.0086 0.0037 -0.0015 872 GLU 82 HB2 0.0129 -0.0046 0.0004 873 GLU 82 HB3 0.0114 -0.0037 0.0072 874 GLU 82 HG2 0.0108 -0.0027 0.0075 875 GLU 82 HG3 0.0121 -0.0032 0.0006 876 GLU 83 N 0.0059 0.0112 0.0081 877 GLU 83 CA 0.0004 0.0073 0.0095 878 GLU 83 C -0.0042 0.0065 0.0068 879 GLU 83 O -0.0063 0.0033 0.0098 880 GLU 83 CB -0.0017 0.0074 0.0076 881 GLU 83 CG -0.0075 0.0034 0.0087 882 GLU 83 CD -0.0089 0.0035 0.0074 883 GLU 83 OE1 -0.0109 0.0057 0.0024 884 GLU 83 OE2 -0.0081 0.0013 0.0113 885 GLU 83 H 0.0059 0.0139 0.0042 886 GLU 83 HA 0.0013 0.0047 0.0140 887 GLU 83 HB2 0.0017 0.0078 0.0097 888 GLU 83 HB3 -0.0022 0.0101 0.0031 889 GLU 83 HG2 -0.0110 0.0031 0.0062 890 GLU 83 HG3 -0.0071 0.0006 0.0131 891 ALA 84 N 0.0025 0.0032 0.0054 892 ALA 84 CA -0.0043 0.0002 0.0008 893 ALA 84 C -0.0015 0.0025 -0.0006 894 ALA 84 O -0.0053 0.0018 -0.0064 895 ALA 84 CB -0.0079 0.0005 -0.0080 896 ALA 84 H 0.0062 0.0068 0.0017 897 ALA 84 HA -0.0085 -0.0041 0.0054 898 ALA 84 HB1 -0.0128 -0.0016 -0.0113 899 ALA 84 HB2 -0.0035 0.0049 -0.0124 900 ALA 84 HB3 -0.0103 -0.0015 -0.0065 901 GLU 85 N 0.0108 0.0016 0.0056 902 GLU 85 CA 0.0024 -0.0043 0.0032 903 GLU 85 C -0.0005 0.0046 0.0083 904 GLU 85 O 0.0070 0.0066 0.0086 905 GLU 85 CB 0.0091 -0.0146 -0.0029 906 GLU 85 CG 0.0003 -0.0229 -0.0065 907 GLU 85 CD -0.0042 -0.0188 -0.0039 908 GLU 85 OE1 0.0029 -0.0204 -0.0054 909 GLU 85 OE2 -0.0146 -0.0140 -0.0004 910 GLU 85 H 0.0136 0.0093 0.0095 911 GLU 85 HA -0.0064 -0.0070 0.0026 912 GLU 85 HB2 0.0135 -0.0192 -0.0058 913 GLU 85 HB3 0.0166 -0.0114 -0.0019 914 GLU 85 HG2 -0.0080 -0.0229 -0.0058 915 GLU 85 HG3 0.0046 -0.0311 -0.0113 916 ARG 86 N -0.0101 0.0042 0.0383 917 ARG 86 CA -0.0176 0.0037 0.0267 918 ARG 86 C -0.0223 0.0036 0.0187 919 ARG 86 O -0.0173 0.0078 0.0189 920 ARG 86 CB -0.0129 0.0111 0.0196 921 ARG 86 CG -0.0015 0.0210 0.0191 922 ARG 86 CD -0.0002 0.0256 0.0120 923 ARG 86 NE 0.0108 0.0345 0.0128 924 ARG 86 CZ 0.0148 0.0394 0.0097 925 ARG 86 NH1 0.0085 0.0365 0.0049 926 ARG 86 NH2 0.0251 0.0472 0.0115 927 ARG 86 H -0.0039 0.0093 0.0384 928 ARG 86 HA -0.0240 -0.0030 0.0291 929 ARG 86 HB2 -0.0178 0.0116 0.0102 930 ARG 86 HB3 -0.0130 0.0089 0.0239 931 ARG 86 HG2 0.0010 0.0254 0.0146 932 ARG 86 HG3 0.0036 0.0207 0.0284 933 ARG 86 HD2 -0.0034 0.0210 0.0158 934 ARG 86 HD3 -0.0046 0.0266 0.0024 935 ARG 86 HE 0.0157 0.0369 0.0162 936 ARG 86 HH11 0.0007 0.0307 0.0033 937 ARG 86 HH12 0.0114 0.0401 0.0024 938 ARG 86 HH21 0.0301 0.0496 0.0151 939 ARG 86 HH22 0.0284 0.0511 0.0094 940 ALA 87 N -0.0071 0.0033 0.0242 941 ALA 87 CA -0.0015 0.0020 0.0073 942 ALA 87 C 0.0003 -0.0004 0.0023 943 ALA 87 O 0.0042 -0.0096 -0.0085 944 ALA 87 CB 0.0007 -0.0127 0.0027 945 ALA 87 H -0.0087 -0.0069 0.0304 946 ALA 87 HA -0.0002 0.0130 0.0022 947 ALA 87 HB1 -0.0007 -0.0237 0.0082 948 ALA 87 HB2 -0.0006 -0.0109 0.0064 949 ALA 87 HB3 0.0048 -0.0140 -0.0098 950 ALA 88 N 0.0262 -0.0008 -0.0509 951 ALA 88 CA 0.0245 0.0114 -0.0532 952 ALA 88 C 0.0178 0.0592 -0.0606 953 ALA 88 O 0.0149 0.0851 -0.0300 954 ALA 88 CB 0.0271 -0.0018 -0.0126 955 ALA 88 H 0.0242 0.0164 -0.0325 956 ALA 88 HA 0.0261 -0.0049 -0.0809 957 ALA 88 HB1 0.0255 0.0147 0.0152 958 ALA 88 HB2 0.0319 -0.0362 -0.0081 959 ALA 88 HB3 0.0258 0.0071 -0.0162 960 GLY 89 N 0.0086 -0.0197 0.0499 961 GLY 89 CA -0.0159 -0.0156 0.0499 962 GLY 89 C -0.0714 -0.0175 0.0481 963 GLY 89 O -0.0926 0.0127 0.0524 964 GLY 89 H -0.0088 -0.0327 0.0473 965 GLY 89 HA2 -0.0059 0.0189 0.0558 966 GLY 89 HA3 -0.0043 -0.0454 0.0454 967 MET 90 N 0.0079 -0.0066 0.0170 968 MET 90 CA 0.0030 -0.0060 0.0057 969 MET 90 C -0.0012 0.0029 0.0047 970 MET 90 O -0.0005 0.0014 0.0050 971 MET 90 CB 0.0049 -0.0169 -0.0005 972 MET 90 CG 0.0002 -0.0179 -0.0128 973 MET 90 SD -0.0057 -0.0091 -0.0181 974 MET 90 CE -0.0098 -0.0135 -0.0321 975 MET 90 H 0.0084 -0.0052 0.0196 976 MET 90 HA 0.0007 -0.0037 0.0025 977 MET 90 HB2 0.0083 -0.0230 0.0015 978 MET 90 HB3 0.0067 -0.0185 0.0022 979 MET 90 HG2 -0.0016 -0.0163 -0.0154 980 MET 90 HG3 0.0023 -0.0260 -0.0159 981 MET 90 HE1 -0.0111 -0.0125 -0.0344 982 MET 90 HE2 -0.0135 -0.0088 -0.0364 983 MET 90 HE3 -0.0070 -0.0217 -0.0339 984 GLY 91 N -0.0002 0.0168 -0.0091 985 GLY 91 CA -0.0038 0.0136 -0.0022 986 GLY 91 C -0.0101 0.0018 0.0098 987 GLY 91 O -0.0101 -0.0122 0.0090 988 GLY 91 H 0.0016 0.0077 -0.0135 989 GLY 91 HA2 -0.0056 0.0249 0.0022 990 GLY 91 HA3 -0.0000 0.0084 -0.0101 991 SER 92 N -0.0025 -0.0232 -0.0211 992 SER 92 CA 0.0094 -0.0314 0.0053 993 SER 92 C 0.0200 -0.0353 0.0300 994 SER 92 O 0.0207 -0.0130 0.0389 995 SER 92 CB 0.0095 -0.0063 0.0138 996 SER 92 OG -0.0006 -0.0032 -0.0099 997 SER 92 H -0.0052 -0.0030 -0.0212 998 SER 92 HA 0.0106 -0.0536 0.0009 999 SER 92 HB2 0.0083 0.0160 0.0183 1000 SER 92 HB3 0.0183 -0.0131 0.0331 1001 SER 92 HG -0.0059 -0.0147 -0.0268 1002 TYR 93 N 0.0002 -0.0058 0.0033 1003 TYR 93 CA -0.0025 -0.0040 0.0023 1004 TYR 93 C -0.0048 -0.0051 0.0013 1005 TYR 93 O -0.0041 -0.0065 0.0015 1006 TYR 93 CB -0.0019 -0.0004 0.0028 1007 TYR 93 CG -0.0043 0.0017 0.0019 1008 TYR 93 CD1 -0.0044 0.0027 0.0019 1009 TYR 93 CD2 -0.0066 0.0028 0.0010 1010 TYR 93 CE1 -0.0066 0.0047 0.0011 1011 TYR 93 CE2 -0.0088 0.0048 0.0001 1012 TYR 93 CZ -0.0087 0.0057 0.0002 1013 TYR 93 OH -0.0109 0.0077 -0.0006 1014 TYR 93 H 0.0010 -0.0054 0.0037 1015 TYR 93 HA -0.0030 -0.0045 0.0021 1016 TYR 93 HB2 0.0000 0.0002 0.0036 1017 TYR 93 HB3 -0.0016 0.0000 0.0029 1018 TYR 93 HD1 -0.0026 0.0019 0.0026 1019 TYR 93 HD2 -0.0066 0.0020 0.0009 1020 TYR 93 HE1 -0.0065 0.0055 0.0011 1021 TYR 93 HE2 -0.0105 0.0056 -0.0005 1022 TYR 93 HH -0.0128 0.0068 -0.0014 1023 VAL 94 N 0.0143 0.0036 -0.0006 1024 VAL 94 CA 0.0113 0.0015 -0.0004 1025 VAL 94 C 0.0109 0.0012 -0.0004 1026 VAL 94 O 0.0101 0.0037 0.0003 1027 VAL 94 CB 0.0081 0.0027 0.0004 1028 VAL 94 CG1 0.0074 0.0063 0.0013 1029 VAL 94 CG2 0.0051 0.0004 0.0005 1030 VAL 94 H 0.0141 0.0056 -0.0001 1031 VAL 94 HA 0.0119 -0.0009 -0.0011 1032 VAL 94 HB 0.0086 0.0026 0.0003 1033 VAL 94 HG11 0.0052 0.0070 0.0019 1034 VAL 94 HG12 0.0071 0.0065 0.0014 1035 VAL 94 HG13 0.0095 0.0079 0.0013 1036 VAL 94 HG21 0.0047 0.0004 0.0006 1037 VAL 94 HG22 0.0030 0.0013 0.0011 1038 VAL 94 HG23 0.0056 -0.0020 -0.0001