1 ASP 28 N -0.0022 -0.0044 -0.0071 2 ASP 28 CA 0.0094 -0.0007 -0.0050 3 ASP 28 C 0.0116 -0.0030 -0.0027 4 ASP 28 O 0.0081 -0.0113 0.0014 5 ASP 28 CB 0.0165 -0.0055 0.0008 6 ASP 28 CG 0.0286 -0.0020 0.0033 7 ASP 28 OD1 0.0328 0.0068 -0.0008 8 ASP 28 OD2 0.0341 -0.0080 0.0093 9 ASP 28 H -0.0039 -0.0031 -0.0087 10 ASP 28 HA 0.0110 0.0071 -0.0095 11 ASP 28 HB2 0.0148 -0.0038 -0.0009 12 ASP 28 HB3 0.0146 -0.0133 0.0052 13 PRO 29 N 0.0316 0.0145 0.0010 14 PRO 29 CA 0.0327 0.0151 0.0006 15 PRO 29 C 0.0281 0.0194 -0.0065 16 PRO 29 O 0.0205 0.0193 -0.0089 17 PRO 29 CB 0.0282 0.0092 0.0067 18 PRO 29 CG 0.0274 0.0053 0.0116 19 PRO 29 CD 0.0268 0.0087 0.0070 20 PRO 29 HA 0.0395 0.0163 0.0014 21 PRO 29 HB2 0.0219 0.0094 0.0044 22 PRO 29 HB3 0.0322 0.0082 0.0094 23 PRO 29 HG2 0.0216 0.0019 0.0140 24 PRO 29 HG3 0.0332 0.0036 0.0157 25 PRO 29 HD2 0.0200 0.0085 0.0050 26 PRO 29 HD3 0.0300 0.0072 0.0100 27 ASN 30 N -0.0031 0.0189 0.0103 28 ASN 30 CA -0.0005 0.0159 0.0107 29 ASN 30 C 0.0011 0.0094 0.0154 30 ASN 30 O 0.0062 0.0055 0.0142 31 ASN 30 CB 0.0048 0.0170 0.0048 32 ASN 30 CG 0.0080 0.0139 0.0047 33 ASN 30 OD1 0.0064 0.0164 0.0039 34 ASN 30 ND2 0.0125 0.0087 0.0054 35 ASN 30 H -0.0068 0.0226 0.0104 36 ASN 30 HA -0.0039 0.0180 0.0119 37 ASN 30 HB2 0.0031 0.0217 0.0020 38 ASN 30 HB3 0.0076 0.0154 0.0036 39 ASN 30 HD21 0.0137 0.0070 0.0059 40 ASN 30 HD22 0.0146 0.0066 0.0054 41 ALA 31 N -0.0027 -0.0298 0.0110 42 ALA 31 CA -0.0007 -0.0281 0.0135 43 ALA 31 C -0.0010 -0.0265 0.0154 44 ALA 31 O 0.0008 -0.0269 0.0153 45 ALA 31 CB 0.0030 -0.0289 0.0131 46 ALA 31 H -0.0036 -0.0300 0.0107 47 ALA 31 HA -0.0018 -0.0273 0.0144 48 ALA 31 HB1 0.0043 -0.0276 0.0150 49 ALA 31 HB2 0.0040 -0.0297 0.0123 50 ALA 31 HB3 0.0032 -0.0300 0.0118 51 GLU 32 N -0.0150 -0.0228 0.0093 52 GLU 32 CA -0.0082 -0.0087 0.0144 53 GLU 32 C -0.0014 0.0031 0.0190 54 GLU 32 O 0.0081 0.0140 0.0240 55 GLU 32 CB -0.0216 0.0004 0.0130 56 GLU 32 CG -0.0367 0.0078 0.0108 57 GLU 32 CD -0.0491 0.0172 0.0097 58 GLU 32 OE1 -0.0475 0.0326 0.0138 59 GLU 32 OE2 -0.0606 0.0095 0.0049 60 GLU 32 H -0.0272 -0.0222 0.0063 61 GLU 32 HA 0.0016 -0.0140 0.0157 62 GLU 32 HB2 -0.0159 0.0106 0.0169 63 GLU 32 HB3 -0.0259 -0.0085 0.0098 64 GLU 32 HG2 -0.0429 -0.0023 0.0068 65 GLU 32 HG3 -0.0324 0.0163 0.0139 66 PHE 33 N -0.0121 0.0017 0.0035 67 PHE 33 CA -0.0093 0.0054 0.0058 68 PHE 33 C -0.0028 -0.0003 0.0061 69 PHE 33 O -0.0015 -0.0073 0.0041 70 PHE 33 CB -0.0164 0.0074 0.0039 71 PHE 33 CG -0.0209 0.0004 -0.0002 72 PHE 33 CD1 -0.0183 -0.0050 -0.0011 73 PHE 33 CD2 -0.0277 -0.0008 -0.0031 74 PHE 33 CE1 -0.0224 -0.0115 -0.0049 75 PHE 33 CE2 -0.0318 -0.0073 -0.0068 76 PHE 33 CZ -0.0291 -0.0126 -0.0077 77 PHE 33 H -0.0156 -0.0025 0.0007 78 PHE 33 HA -0.0069 0.0109 0.0085 79 PHE 33 HB2 -0.0141 0.0095 0.0055 80 PHE 33 HB3 -0.0205 0.0121 0.0041 81 PHE 33 HD1 -0.0130 -0.0041 0.0011 82 PHE 33 HD2 -0.0298 0.0033 -0.0024 83 PHE 33 HE1 -0.0203 -0.0156 -0.0055 84 PHE 33 HE2 -0.0370 -0.0082 -0.0090 85 PHE 33 HZ -0.0323 -0.0177 -0.0106 86 ASP 34 N -0.0059 0.0242 -0.0052 87 ASP 34 CA -0.0002 0.0216 -0.0058 88 ASP 34 C 0.0014 0.0204 -0.0066 89 ASP 34 O -0.0001 0.0226 -0.0041 90 ASP 34 CB 0.0036 0.0231 -0.0012 91 ASP 34 CG 0.0095 0.0203 -0.0019 92 ASP 34 OD1 0.0124 0.0193 -0.0017 93 ASP 34 OD2 0.0113 0.0191 -0.0026 94 ASP 34 H -0.0066 0.0266 -0.0020 95 ASP 34 HA 0.0001 0.0193 -0.0090 96 ASP 34 HB2 0.0022 0.0242 -0.0003 97 ASP 34 HB3 0.0036 0.0251 0.0019 98 PRO 35 N 0.0072 0.0075 -0.0107 99 PRO 35 CA 0.0048 0.0014 -0.0163 100 PRO 35 C 0.0139 -0.0008 -0.0101 101 PRO 35 O 0.0129 -0.0062 -0.0143 102 PRO 35 CB 0.0044 -0.0112 -0.0242 103 PRO 35 CG 0.0132 -0.0144 -0.0189 104 PRO 35 CD 0.0127 -0.0019 -0.0118 105 PRO 35 HA -0.0034 0.0066 -0.0198 106 PRO 35 HB2 0.0066 -0.0181 -0.0266 107 PRO 35 HB3 -0.0040 -0.0101 -0.0304 108 PRO 35 HG2 0.0216 -0.0190 -0.0148 109 PRO 35 HG3 0.0112 -0.0205 -0.0243 110 PRO 35 HD2 0.0211 -0.0017 -0.0048 111 PRO 35 HD3 0.0074 -0.0002 -0.0151 112 ASP 36 N 0.0132 -0.0028 -0.0286 113 ASP 36 CA 0.0278 -0.0109 -0.0158 114 ASP 36 C 0.0247 0.0094 -0.0050 115 ASP 36 O 0.0292 0.0057 -0.0020 116 ASP 36 CB 0.0465 -0.0203 0.0014 117 ASP 36 CG 0.0620 -0.0281 0.0158 118 ASP 36 OD1 0.0668 -0.0472 0.0082 119 ASP 36 OD2 0.0699 -0.0150 0.0353 120 ASP 36 H 0.0135 0.0072 -0.0210 121 ASP 36 HA 0.0273 -0.0253 -0.0268 122 ASP 36 HB2 0.0485 -0.0356 -0.0070 123 ASP 36 HB3 0.0466 -0.0064 0.0116 124 LEU 37 N 0.0062 0.0197 0.0085 125 LEU 37 CA 0.0055 0.0212 0.0108 126 LEU 37 C 0.0038 0.0219 0.0103 127 LEU 37 O 0.0021 0.0221 0.0084 128 LEU 37 CB 0.0043 0.0225 0.0122 129 LEU 37 CG 0.0060 0.0221 0.0137 130 LEU 37 CD1 0.0080 0.0218 0.0157 131 LEU 37 CD2 0.0071 0.0206 0.0118 132 LEU 37 H 0.0051 0.0199 0.0074 133 LEU 37 HA 0.0072 0.0207 0.0121 134 LEU 37 HB2 0.0029 0.0226 0.0108 135 LEU 37 HB3 0.0034 0.0236 0.0136 136 LEU 37 HG 0.0049 0.0231 0.0147 137 LEU 37 HD11 0.0091 0.0215 0.0167 138 LEU 37 HD12 0.0091 0.0207 0.0148 139 LEU 37 HD13 0.0072 0.0229 0.0171 140 LEU 37 HD21 0.0083 0.0204 0.0129 141 LEU 37 HD22 0.0056 0.0209 0.0104 142 LEU 37 HD23 0.0082 0.0196 0.0108 143 PRO 38 N 0.0010 0.0136 0.0077 144 PRO 38 CA 0.0027 0.0122 0.0098 145 PRO 38 C 0.0014 0.0101 0.0102 146 PRO 38 O -0.0007 0.0086 0.0096 147 PRO 38 CB 0.0033 0.0110 0.0111 148 PRO 38 CG 0.0028 0.0126 0.0097 149 PRO 38 CD 0.0007 0.0134 0.0076 150 PRO 38 HA 0.0043 0.0135 0.0102 151 PRO 38 HB2 0.0022 0.0090 0.0115 152 PRO 38 HB3 0.0052 0.0112 0.0125 153 PRO 38 HG2 0.0023 0.0114 0.0101 154 PRO 38 HG3 0.0044 0.0142 0.0099 155 PRO 38 HD2 -0.0010 0.0120 0.0072 156 PRO 38 HD3 0.0009 0.0153 0.0065 157 GLY 39 N -0.0029 0.0100 0.0157 158 GLY 39 CA -0.0022 0.0072 0.0160 159 GLY 39 C -0.0057 0.0104 0.0147 160 GLY 39 O -0.0072 0.0077 0.0142 161 GLY 39 H 0.0001 0.0127 0.0166 162 GLY 39 HA2 0.0023 0.0073 0.0175 163 GLY 39 HA3 -0.0036 0.0025 0.0157 164 GLY 40 N -0.0055 0.0233 0.0128 165 GLY 40 CA -0.0066 0.0224 0.0099 166 GLY 40 C -0.0066 0.0223 0.0097 167 GLY 40 O -0.0078 0.0215 0.0075 168 GLY 40 H -0.0035 0.0240 0.0129 169 GLY 40 HA2 -0.0051 0.0226 0.0079 170 GLY 40 HA3 -0.0089 0.0216 0.0096 171 GLY 41 N -0.0042 0.0137 0.0142 172 GLY 41 CA -0.0055 0.0124 0.0111 173 GLY 41 C -0.0058 0.0084 0.0111 174 GLY 41 O -0.0070 0.0069 0.0085 175 GLY 41 H -0.0034 0.0147 0.0158 176 GLY 41 HA2 -0.0055 0.0133 0.0109 177 GLY 41 HA3 -0.0062 0.0135 0.0091 178 LEU 42 N -0.0147 0.0046 0.0114 179 LEU 42 CA -0.0169 -0.0023 0.0124 180 LEU 42 C -0.0167 -0.0066 0.0163 181 LEU 42 O -0.0187 -0.0126 0.0169 182 LEU 42 CB -0.0155 -0.0031 0.0160 183 LEU 42 CG -0.0156 0.0008 0.0127 184 LEU 42 CD1 -0.0140 -0.0004 0.0168 185 LEU 42 CD2 -0.0194 -0.0010 0.0062 186 LEU 42 H -0.0121 0.0071 0.0148 187 LEU 42 HA -0.0197 -0.0039 0.0079 188 LEU 42 HB2 -0.0127 -0.0016 0.0206 189 LEU 42 HB3 -0.0171 -0.0083 0.0167 190 LEU 42 HG -0.0138 0.0060 0.0122 191 LEU 42 HD11 -0.0141 0.0023 0.0145 192 LEU 42 HD12 -0.0156 -0.0056 0.0177 193 LEU 42 HD13 -0.0112 0.0012 0.0214 194 LEU 42 HD21 -0.0213 -0.0062 0.0066 195 LEU 42 HD22 -0.0194 0.0018 0.0041 196 LEU 42 HD23 -0.0204 0.0003 0.0032 197 HIS 43 N -0.0050 -0.0146 0.0081 198 HIS 43 CA -0.0050 -0.0154 0.0095 199 HIS 43 C -0.0052 -0.0114 0.0054 200 HIS 43 O -0.0053 -0.0060 0.0064 201 HIS 43 CB -0.0047 -0.0138 0.0161 202 HIS 43 CG -0.0044 -0.0170 0.0206 203 HIS 43 ND1 -0.0042 -0.0227 0.0227 204 HIS 43 CD2 -0.0043 -0.0153 0.0236 205 HIS 43 CE1 -0.0040 -0.0243 0.0267 206 HIS 43 NE2 -0.0041 -0.0199 0.0274 207 HIS 43 H -0.0051 -0.0105 0.0080 208 HIS 43 HA -0.0049 -0.0200 0.0086 209 HIS 43 HB2 -0.0048 -0.0090 0.0167 210 HIS 43 HB3 -0.0046 -0.0151 0.0168 211 HIS 43 HD1 -0.0042 -0.0253 0.0212 212 HIS 43 HD2 -0.0044 -0.0110 0.0231 213 HIS 43 HE1 -0.0038 -0.0285 0.0292 214 HIS 43 HE2 -0.0040 -0.0203 0.0295 215 ARG 44 N 0.0023 -0.0007 -0.0114 216 ARG 44 CA -0.0013 0.0001 -0.0155 217 ARG 44 C 0.0008 -0.0014 -0.0213 218 ARG 44 O 0.0055 -0.0032 -0.0221 219 ARG 44 CB -0.0016 0.0003 -0.0148 220 ARG 44 CG -0.0021 0.0012 -0.0089 221 ARG 44 CD -0.0018 0.0011 -0.0087 222 ARG 44 NE -0.0020 0.0019 -0.0031 223 ARG 44 CZ -0.0024 0.0022 -0.0020 224 ARG 44 NH1 -0.0025 0.0017 -0.0062 225 ARG 44 NH2 -0.0027 0.0029 0.0032 226 ARG 44 H 0.0061 -0.0021 -0.0114 227 ARG 44 HA -0.0052 0.0015 -0.0152 228 ARG 44 HB2 0.0019 -0.0012 -0.0164 229 ARG 44 HB3 -0.0049 0.0012 -0.0173 230 ARG 44 HG2 -0.0059 0.0028 -0.0075 231 ARG 44 HG3 0.0010 0.0004 -0.0064 232 ARG 44 HD2 0.0018 -0.0004 -0.0105 233 ARG 44 HD3 -0.0051 0.0020 -0.0112 234 ARG 44 HE -0.0019 0.0022 -0.0001 235 ARG 44 HH11 -0.0023 0.0011 -0.0102 236 ARG 44 HH12 -0.0027 0.0019 -0.0055 237 ARG 44 HH21 -0.0026 0.0033 0.0064 238 ARG 44 HH22 -0.0030 0.0032 0.0041 239 CYS 45 N 0.0029 -0.0030 -0.0279 240 CYS 45 CA 0.0024 -0.0052 -0.0297 241 CYS 45 C 0.0013 -0.0042 -0.0345 242 CYS 45 O 0.0012 -0.0003 -0.0359 243 CYS 45 CB 0.0029 -0.0035 -0.0278 244 CYS 45 SG 0.0021 -0.0056 -0.0307 245 CYS 45 H 0.0031 0.0003 -0.0273 246 CYS 45 HA 0.0024 -0.0088 -0.0291 247 CYS 45 HB2 0.0036 -0.0047 -0.0244 248 CYS 45 HB3 0.0030 0.0002 -0.0277 249 LEU 46 N 0.0071 -0.0001 -0.0608 250 LEU 46 CA -0.0046 0.0004 -0.0294 251 LEU 46 C -0.0213 -0.0230 -0.0296 252 LEU 46 O -0.0388 -0.0359 -0.0080 253 LEU 46 CB 0.0103 0.0280 -0.0163 254 LEU 46 CG 0.0267 0.0527 -0.0129 255 LEU 46 CD1 0.0417 0.0792 -0.0023 256 LEU 46 CD2 0.0167 0.0507 0.0096 257 LEU 46 H 0.0218 0.0150 -0.0711 258 LEU 46 HA -0.0122 -0.0024 -0.0145 259 LEU 46 HB2 0.0181 0.0308 -0.0315 260 LEU 46 HB3 0.0013 0.0277 0.0067 261 LEU 46 HG 0.0350 0.0521 -0.0359 262 LEU 46 HD11 0.0497 0.0811 -0.0197 263 LEU 46 HD12 0.0529 0.0963 0.0008 264 LEU 46 HD13 0.0330 0.0788 0.0198 265 LEU 46 HD21 0.0073 0.0329 0.0006 266 LEU 46 HD22 0.0072 0.0496 0.0324 267 LEU 46 HD23 0.0289 0.0689 0.0120 268 ALA 47 N -0.0047 -0.0171 -0.0385 269 ALA 47 CA -0.0044 -0.0184 -0.0371 270 ALA 47 C -0.0018 -0.0177 -0.0371 271 ALA 47 O -0.0015 -0.0183 -0.0364 272 ALA 47 CB -0.0045 -0.0203 -0.0350 273 ALA 47 H -0.0047 -0.0176 -0.0380 274 ALA 47 HA -0.0060 -0.0184 -0.0374 275 ALA 47 HB1 -0.0043 -0.0212 -0.0340 276 ALA 47 HB2 -0.0028 -0.0203 -0.0346 277 ALA 47 HB3 -0.0063 -0.0207 -0.0350 278 CYS 48 N -0.0141 -0.0151 -0.0318 279 CYS 48 CA -0.0120 -0.0100 -0.0309 280 CYS 48 C -0.0125 -0.0039 -0.0329 281 CYS 48 O -0.0115 0.0007 -0.0331 282 CYS 48 CB -0.0073 -0.0103 -0.0258 283 CYS 48 SG -0.0068 -0.0165 -0.0238 284 CYS 48 H -0.0132 -0.0158 -0.0306 285 CYS 48 HA -0.0137 -0.0103 -0.0326 286 CYS 48 HB2 -0.0052 -0.0110 -0.0234 287 CYS 48 HB3 -0.0059 -0.0065 -0.0253 288 ALA 49 N -0.0192 -0.0063 -0.0369 289 ALA 49 CA -0.0218 0.0053 -0.0354 290 ALA 49 C -0.0145 0.0122 -0.0307 291 ALA 49 O -0.0168 0.0219 -0.0295 292 ALA 49 CB -0.0329 0.0086 -0.0395 293 ALA 49 H -0.0177 -0.0111 -0.0373 294 ALA 49 HA -0.0209 0.0062 -0.0348 295 ALA 49 HB1 -0.0338 0.0076 -0.0401 296 ALA 49 HB2 -0.0378 0.0036 -0.0427 297 ALA 49 HB3 -0.0347 0.0170 -0.0384 298 ARG 50 N -0.0181 0.0077 -0.0358 299 ARG 50 CA -0.0000 0.0157 -0.0327 300 ARG 50 C 0.0078 0.0217 -0.0321 301 ARG 50 O 0.0044 0.0129 -0.0304 302 ARG 50 CB 0.0119 0.0030 -0.0248 303 ARG 50 CG 0.0059 -0.0028 -0.0248 304 ARG 50 CD 0.0183 -0.0153 -0.0169 305 ARG 50 NE 0.0126 -0.0214 -0.0167 306 ARG 50 CZ 0.0204 -0.0336 -0.0103 307 ARG 50 NH1 0.0347 -0.0405 -0.0035 308 ARG 50 NH2 0.0140 -0.0386 -0.0107 309 ARG 50 H -0.0202 -0.0040 -0.0327 310 ARG 50 HA -0.0007 0.0274 -0.0366 311 ARG 50 HB2 0.0122 -0.0088 -0.0209 312 ARG 50 HB3 0.0253 0.0095 -0.0227 313 ARG 50 HG2 0.0059 0.0089 -0.0286 314 ARG 50 HG3 -0.0075 -0.0094 -0.0269 315 ARG 50 HD2 0.0187 -0.0268 -0.0130 316 ARG 50 HD3 0.0316 -0.0084 -0.0149 317 ARG 50 HE 0.0022 -0.0158 -0.0218 318 ARG 50 HH11 0.0401 -0.0370 -0.0029 319 ARG 50 HH12 0.0411 -0.0496 0.0014 320 ARG 50 HH21 0.0033 -0.0335 -0.0158 321 ARG 50 HH22 0.0195 -0.0479 -0.0060 322 TYR 51 N -0.0026 0.0024 -0.0039 323 TYR 51 CA 0.0013 0.0040 -0.0009 324 TYR 51 C 0.0050 0.0035 0.0008 325 TYR 51 O 0.0039 0.0050 0.0011 326 TYR 51 CB -0.0006 0.0091 0.0012 327 TYR 51 CG -0.0047 0.0100 -0.0005 328 TYR 51 CD1 -0.0094 0.0109 -0.0025 329 TYR 51 CD2 -0.0038 0.0100 -0.0001 330 TYR 51 CE1 -0.0131 0.0117 -0.0040 331 TYR 51 CE2 -0.0076 0.0108 -0.0016 332 TYR 51 CZ -0.0122 0.0116 -0.0035 333 TYR 51 OH -0.0160 0.0125 -0.0050 334 TYR 51 H -0.0045 0.0045 -0.0037 335 TYR 51 HA 0.0027 0.0021 -0.0013 336 TYR 51 HB2 -0.0018 0.0110 0.0016 337 TYR 51 HB3 0.0023 0.0103 0.0034 338 TYR 51 HD1 -0.0101 0.0109 -0.0028 339 TYR 51 HD2 -0.0002 0.0093 0.0015 340 TYR 51 HE1 -0.0168 0.0124 -0.0055 341 TYR 51 HE2 -0.0069 0.0107 -0.0012 342 TYR 51 HH -0.0184 0.0150 -0.0048 343 PHE 52 N 0.0033 -0.0102 0.0089 344 PHE 52 CA 0.0024 -0.0095 0.0120 345 PHE 52 C 0.0025 -0.0111 0.0157 346 PHE 52 O 0.0039 -0.0139 0.0158 347 PHE 52 CB 0.0033 -0.0110 0.0113 348 PHE 52 CG 0.0032 -0.0095 0.0076 349 PHE 52 CD1 0.0045 -0.0108 0.0040 350 PHE 52 CD2 0.0019 -0.0068 0.0076 351 PHE 52 CE1 0.0045 -0.0094 0.0006 352 PHE 52 CE2 0.0018 -0.0054 0.0042 353 PHE 52 CZ 0.0031 -0.0067 0.0007 354 PHE 52 H 0.0047 -0.0126 0.0082 355 PHE 52 HA 0.0010 -0.0067 0.0121 356 PHE 52 HB2 0.0047 -0.0138 0.0112 357 PHE 52 HB3 0.0026 -0.0105 0.0137 358 PHE 52 HD1 0.0056 -0.0129 0.0040 359 PHE 52 HD2 0.0009 -0.0057 0.0103 360 PHE 52 HE1 0.0055 -0.0105 -0.0021 361 PHE 52 HE2 0.0008 -0.0033 0.0043 362 PHE 52 HZ 0.0031 -0.0057 -0.0020 363 ILE 53 N 0.0041 -0.0244 0.0110 364 ILE 53 CA 0.0109 -0.0109 -0.0109 365 ILE 53 C 0.0026 0.0056 -0.0178 366 ILE 53 O 0.0000 0.0226 -0.0321 367 ILE 53 CB 0.0325 -0.0234 -0.0242 368 ILE 53 CG1 0.0397 -0.0365 -0.0195 369 ILE 53 CG2 0.0411 -0.0366 -0.0211 370 ILE 53 CD1 0.0608 -0.0487 -0.0324 371 ILE 53 H 0.0135 -0.0391 0.0147 372 ILE 53 HA 0.0068 -0.0034 -0.0137 373 ILE 53 HB 0.0364 -0.0123 -0.0401 374 ILE 53 HG12 0.0354 -0.0473 -0.0033 375 ILE 53 HG13 0.0334 -0.0263 -0.0222 376 ILE 53 HG21 0.0366 -0.0472 -0.0049 377 ILE 53 HG22 0.0367 -0.0269 -0.0257 378 ILE 53 HG23 0.0563 -0.0454 -0.0304 379 ILE 53 HD11 0.0654 -0.0382 -0.0486 380 ILE 53 HD12 0.0646 -0.0576 -0.0279 381 ILE 53 HD13 0.0674 -0.0589 -0.0299 382 ASP 54 N -0.0112 -0.0307 0.0071 383 ASP 54 CA -0.0227 -0.0295 0.0076 384 ASP 54 C -0.0216 -0.0199 0.0134 385 ASP 54 O -0.0142 -0.0125 0.0180 386 ASP 54 CB -0.0339 -0.0279 0.0083 387 ASP 54 CG -0.0464 -0.0273 0.0085 388 ASP 54 OD1 -0.0518 -0.0359 0.0032 389 ASP 54 OD2 -0.0511 -0.0182 0.0139 390 ASP 54 H -0.0063 -0.0242 0.0111 391 ASP 54 HA -0.0241 -0.0368 0.0031 392 ASP 54 HB2 -0.0342 -0.0346 0.0043 393 ASP 54 HB3 -0.0326 -0.0205 0.0128 394 SER 55 N -0.0167 -0.0247 0.0195 395 SER 55 CA -0.0102 -0.0150 0.0177 396 SER 55 C -0.0158 -0.0066 0.0114 397 SER 55 O -0.0112 0.0009 0.0099 398 SER 55 CB -0.0067 -0.0135 0.0186 399 SER 55 OG -0.0006 -0.0040 0.0167 400 SER 55 H -0.0185 -0.0286 0.0205 401 SER 55 HA -0.0036 -0.0148 0.0205 402 SER 55 HB2 -0.0020 -0.0191 0.0232 403 SER 55 HB3 -0.0131 -0.0147 0.0164 404 SER 55 HG -0.0050 0.0007 0.0126 405 THR 56 N -0.0229 -0.0088 0.0124 406 THR 56 CA -0.0331 0.0015 -0.0024 407 THR 56 C -0.0309 -0.0061 0.0027 408 THR 56 O -0.0292 0.0082 -0.0006 409 THR 56 CB -0.0519 -0.0060 -0.0203 410 THR 56 OG1 -0.0534 -0.0014 -0.0236 411 THR 56 CG2 -0.0624 0.0073 -0.0366 412 THR 56 H -0.0290 -0.0202 0.0099 413 THR 56 HA -0.0287 0.0206 -0.0045 414 THR 56 HB -0.0560 -0.0247 -0.0181 415 THR 56 HG1 -0.0508 -0.0148 -0.0160 416 THR 56 HG21 -0.0756 0.0015 -0.0489 417 THR 56 HG22 -0.0579 0.0262 -0.0384 418 THR 56 HG23 -0.0613 0.0039 -0.0341 419 ASN 57 N -0.0202 -0.0112 0.0110 420 ASN 57 CA -0.0142 -0.0110 0.0135 421 ASN 57 C -0.0096 -0.0082 0.0172 422 ASN 57 O -0.0063 -0.0050 0.0208 423 ASN 57 CB -0.0108 -0.0171 0.0105 424 ASN 57 CG -0.0136 -0.0191 0.0080 425 ASN 57 OD1 -0.0114 -0.0180 0.0096 426 ASN 57 ND2 -0.0185 -0.0219 0.0041 427 ASN 57 H -0.0207 -0.0151 0.0080 428 ASN 57 HA -0.0157 -0.0083 0.0148 429 ASN 57 HB2 -0.0115 -0.0201 0.0080 430 ASN 57 HB3 -0.0055 -0.0173 0.0123 431 ASN 57 HD21 -0.0203 -0.0227 0.0028 432 ASN 57 HD22 -0.0204 -0.0231 0.0025 433 LEU 58 N -0.0097 -0.0036 0.0166 434 LEU 58 CA -0.0061 -0.0030 0.0149 435 LEU 58 C -0.0057 -0.0006 0.0139 436 LEU 58 O -0.0041 0.0020 0.0124 437 LEU 58 CB -0.0039 -0.0068 0.0150 438 LEU 58 CG -0.0000 -0.0070 0.0133 439 LEU 58 CD1 0.0004 -0.0068 0.0131 440 LEU 58 CD2 0.0016 -0.0040 0.0117 441 LEU 58 H -0.0103 -0.0060 0.0177 442 LEU 58 HA -0.0054 -0.0016 0.0141 443 LEU 58 HB2 -0.0040 -0.0080 0.0154 444 LEU 58 HB3 -0.0051 -0.0085 0.0161 445 LEU 58 HG 0.0014 -0.0095 0.0135 446 LEU 58 HD11 0.0032 -0.0070 0.0119 447 LEU 58 HD12 -0.0009 -0.0043 0.0129 448 LEU 58 HD13 -0.0006 -0.0091 0.0142 449 LEU 58 HD21 0.0004 -0.0014 0.0114 450 LEU 58 HD22 0.0044 -0.0043 0.0105 451 LEU 58 HD23 0.0014 -0.0043 0.0119 452 LYS 59 N -0.0093 0.0066 0.0167 453 LYS 59 CA -0.0060 0.0189 0.0091 454 LYS 59 C -0.0105 0.0096 -0.0028 455 LYS 59 O -0.0089 0.0144 -0.0028 456 LYS 59 CB -0.0019 0.0350 -0.0013 457 LYS 59 CG -0.0052 0.0308 -0.0183 458 LYS 59 CD -0.0007 0.0472 -0.0267 459 LYS 59 CE 0.0030 0.0610 -0.0343 460 LYS 59 NZ -0.0009 0.0545 -0.0499 461 LYS 59 H -0.0092 0.0076 0.0140 462 LYS 59 HA -0.0031 0.0235 0.0210 463 LYS 59 HB2 0.0007 0.0441 -0.0055 464 LYS 59 HB3 0.0013 0.0413 0.0081 465 LYS 59 HG2 -0.0079 0.0211 -0.0143 466 LYS 59 HG3 -0.0082 0.0252 -0.0284 467 LYS 59 HD2 0.0025 0.0532 -0.0160 468 LYS 59 HD3 -0.0032 0.0434 -0.0377 469 LYS 59 HE2 0.0055 0.0646 -0.0234 470 LYS 59 HE3 0.0064 0.0726 -0.0389 471 LYS 59 HZ1 -0.0030 0.0519 -0.0610 472 LYS 59 HZ2 0.0018 0.0643 -0.0545 473 LYS 59 HZ3 -0.0042 0.0433 -0.0465 474 THR 60 N -0.0114 0.0110 -0.0025 475 THR 60 CA -0.0105 0.0087 -0.0026 476 THR 60 C -0.0066 0.0060 0.0040 477 THR 60 O -0.0058 0.0065 0.0065 478 THR 60 CB -0.0107 0.0033 -0.0088 479 THR 60 OG1 -0.0143 0.0061 -0.0149 480 THR 60 CG2 -0.0097 0.0008 -0.0091 481 THR 60 H -0.0118 0.0087 -0.0058 482 THR 60 HA -0.0125 0.0130 -0.0029 483 THR 60 HB -0.0087 -0.0007 -0.0083 484 THR 60 HG1 -0.0147 0.0066 -0.0153 485 THR 60 HG21 -0.0098 -0.0029 -0.0135 486 THR 60 HG22 -0.0116 0.0050 -0.0094 487 THR 60 HG23 -0.0069 -0.0012 -0.0046 488 HIS 61 N -0.0079 0.0001 0.0111 489 HIS 61 CA -0.0069 0.0015 0.0091 490 HIS 61 C -0.0070 0.0006 0.0083 491 HIS 61 O -0.0062 0.0021 0.0075 492 HIS 61 CB -0.0063 0.0014 0.0069 493 HIS 61 CG -0.0054 0.0021 0.0044 494 HIS 61 ND1 -0.0045 0.0044 0.0039 495 HIS 61 CD2 -0.0053 0.0005 0.0024 496 HIS 61 CE1 -0.0039 0.0043 0.0017 497 HIS 61 NE2 -0.0044 0.0020 0.0007 498 HIS 61 H -0.0082 -0.0010 0.0107 499 HIS 61 HA -0.0065 0.0034 0.0100 500 HIS 61 HB2 -0.0060 0.0028 0.0073 501 HIS 61 HB3 -0.0068 -0.0004 0.0066 502 HIS 61 HD1 -0.0043 0.0059 0.0050 503 HIS 61 HD2 -0.0059 -0.0014 0.0020 504 HIS 61 HE1 -0.0032 0.0056 0.0006 505 PHE 62 N -0.0061 0.0044 0.0099 506 PHE 62 CA -0.0063 0.0044 0.0101 507 PHE 62 C -0.0064 0.0044 0.0107 508 PHE 62 O -0.0066 0.0044 0.0109 509 PHE 62 CB -0.0068 0.0042 0.0099 510 PHE 62 CG -0.0068 0.0041 0.0094 511 PHE 62 CD1 -0.0065 0.0042 0.0091 512 PHE 62 CD2 -0.0071 0.0039 0.0091 513 PHE 62 CE1 -0.0065 0.0041 0.0086 514 PHE 62 CE2 -0.0071 0.0038 0.0086 515 PHE 62 CZ -0.0068 0.0039 0.0084 516 PHE 62 H -0.0063 0.0043 0.0098 517 PHE 62 HA -0.0061 0.0045 0.0100 518 PHE 62 HB2 -0.0071 0.0041 0.0101 519 PHE 62 HB3 -0.0069 0.0041 0.0100 520 PHE 62 HD1 -0.0063 0.0043 0.0093 521 PHE 62 HD2 -0.0073 0.0038 0.0094 522 PHE 62 HE1 -0.0063 0.0042 0.0084 523 PHE 62 HE2 -0.0074 0.0037 0.0085 524 PHE 62 HZ -0.0068 0.0039 0.0080 525 ARG 63 N -0.0099 0.0003 0.0011 526 ARG 63 CA -0.0064 -0.0055 0.0113 527 ARG 63 C -0.0026 -0.0100 0.0193 528 ARG 63 O 0.0012 -0.0150 0.0282 529 ARG 63 CB 0.0033 -0.0045 0.0102 530 ARG 63 CG -0.0011 -0.0011 0.0042 531 ARG 63 CD 0.0088 -0.0001 0.0032 532 ARG 63 NE 0.0137 -0.0059 0.0135 533 ARG 63 CZ 0.0211 -0.0065 0.0151 534 ARG 63 NH1 0.0241 -0.0016 0.0070 535 ARG 63 NH2 0.0254 -0.0119 0.0247 536 ARG 63 H -0.0044 0.0041 -0.0049 537 ARG 63 HA -0.0146 -0.0076 0.0142 538 ARG 63 HB2 0.0110 -0.0017 0.0062 539 ARG 63 HB3 0.0063 -0.0089 0.0180 540 ARG 63 HG2 -0.0086 -0.0039 0.0084 541 ARG 63 HG3 -0.0043 0.0033 -0.0036 542 ARG 63 HD2 0.0051 0.0021 -0.0009 543 ARG 63 HD3 0.0161 0.0029 -0.0013 544 ARG 63 HE 0.0114 -0.0095 0.0196 545 ARG 63 HH11 0.0208 0.0025 -0.0003 546 ARG 63 HH12 0.0297 -0.0019 0.0080 547 ARG 63 HH21 0.0232 -0.0156 0.0309 548 ARG 63 HH22 0.0311 -0.0126 0.0263 549 SER 64 N -0.0054 -0.0006 0.0146 550 SER 64 CA -0.0076 -0.0020 0.0134 551 SER 64 C -0.0099 -0.0054 0.0122 552 SER 64 O -0.0124 -0.0047 0.0108 553 SER 64 CB -0.0101 0.0015 0.0121 554 SER 64 OG -0.0081 0.0051 0.0132 555 SER 64 H -0.0062 0.0017 0.0142 556 SER 64 HA -0.0060 -0.0031 0.0143 557 SER 64 HB2 -0.0120 0.0020 0.0111 558 SER 64 HB3 -0.0114 0.0006 0.0114 559 SER 64 HG -0.0068 0.0048 0.0139 560 LYS 65 N -0.0040 -0.0074 0.0068 561 LYS 65 CA -0.0099 -0.0117 0.0083 562 LYS 65 C -0.0179 -0.0126 0.0086 563 LYS 65 O -0.0241 -0.0126 0.0087 564 LYS 65 CB -0.0066 -0.0194 0.0107 565 LYS 65 CG -0.0025 -0.0248 0.0124 566 LYS 65 CD -0.0080 -0.0278 0.0134 567 LYS 65 CE -0.0036 -0.0330 0.0151 568 LYS 65 NZ -0.0087 -0.0358 0.0160 569 LYS 65 H 0.0011 -0.0098 0.0075 570 LYS 65 HA -0.0112 -0.0081 0.0071 571 LYS 65 HB2 -0.0115 -0.0224 0.0117 572 LYS 65 HB3 -0.0024 -0.0181 0.0102 573 LYS 65 HG2 -0.0000 -0.0295 0.0139 574 LYS 65 HG3 0.0024 -0.0217 0.0114 575 LYS 65 HD2 -0.0105 -0.0232 0.0120 576 LYS 65 HD3 -0.0127 -0.0309 0.0145 577 LYS 65 HE2 -0.0015 -0.0379 0.0166 578 LYS 65 HE3 0.0014 -0.0300 0.0141 579 LYS 65 HZ1 -0.0136 -0.0387 0.0170 580 LYS 65 HZ2 -0.0107 -0.0313 0.0146 581 LYS 65 HZ3 -0.0056 -0.0394 0.0172 582 ASP 66 N -0.0188 -0.0092 -0.0003 583 ASP 66 CA -0.0215 -0.0097 -0.0000 584 ASP 66 C -0.0229 -0.0074 0.0009 585 ASP 66 O -0.0250 -0.0074 0.0013 586 ASP 66 CB -0.0225 -0.0108 -0.0002 587 ASP 66 CG -0.0252 -0.0118 -0.0000 588 ASP 66 OD1 -0.0257 -0.0141 -0.0006 589 ASP 66 OD2 -0.0270 -0.0105 0.0007 590 ASP 66 H -0.0179 -0.0092 -0.0005 591 ASP 66 HA -0.0219 -0.0111 -0.0003 592 ASP 66 HB2 -0.0213 -0.0123 -0.0008 593 ASP 66 HB3 -0.0223 -0.0094 0.0002 594 HIS 67 N -0.0168 0.0007 0.0062 595 HIS 67 CA -0.0169 0.0001 0.0041 596 HIS 67 C -0.0175 -0.0030 0.0031 597 HIS 67 O -0.0176 -0.0036 0.0005 598 HIS 67 CB -0.0168 0.0005 0.0057 599 HIS 67 CG -0.0168 0.0002 0.0039 600 HIS 67 ND1 -0.0166 0.0009 0.0010 601 HIS 67 CD2 -0.0169 0.0001 0.0049 602 HIS 67 CE1 -0.0164 0.0014 0.0002 603 HIS 67 NE2 -0.0166 0.0009 0.0025 604 HIS 67 H -0.0167 0.0013 0.0083 605 HIS 67 HA -0.0165 0.0014 0.0022 606 HIS 67 HB2 -0.0163 0.0028 0.0065 607 HIS 67 HB3 -0.0172 -0.0009 0.0076 608 HIS 67 HD1 -0.0165 0.0012 -0.0004 609 HIS 67 HD2 -0.0172 -0.0010 0.0070 610 HIS 67 HE1 -0.0162 0.0020 -0.0020 611 LYS 68 N -0.0177 -0.0004 0.0049 612 LYS 68 CA -0.0143 -0.0013 0.0051 613 LYS 68 C -0.0155 -0.0044 0.0011 614 LYS 68 O -0.0148 -0.0048 0.0009 615 LYS 68 CB -0.0090 -0.0021 0.0061 616 LYS 68 CG -0.0079 0.0010 0.0100 617 LYS 68 CD -0.0025 0.0001 0.0108 618 LYS 68 CE -0.0015 -0.0032 0.0075 619 LYS 68 NZ 0.0036 -0.0040 0.0083 620 LYS 68 H -0.0163 -0.0009 0.0049 621 LYS 68 HA -0.0150 0.0010 0.0074 622 LYS 68 HB2 -0.0083 -0.0044 0.0036 623 LYS 68 HB3 -0.0064 -0.0025 0.0065 624 LYS 68 HG2 -0.0090 0.0036 0.0125 625 LYS 68 HG3 -0.0104 0.0015 0.0096 626 LYS 68 HD2 0.0001 -0.0005 0.0110 627 LYS 68 HD3 -0.0018 0.0023 0.0136 628 LYS 68 HE2 -0.0042 -0.0026 0.0071 629 LYS 68 HE3 -0.0020 -0.0055 0.0047 630 LYS 68 HZ1 0.0064 -0.0046 0.0086 631 LYS 68 HZ2 0.0042 -0.0062 0.0061 632 LYS 68 HZ3 0.0041 -0.0018 0.0109 633 LYS 69 N -0.0214 -0.0033 -0.0004 634 LYS 69 CA -0.0203 -0.0014 0.0060 635 LYS 69 C -0.0166 -0.0027 0.0058 636 LYS 69 O -0.0183 -0.0011 0.0088 637 LYS 69 CB -0.0163 -0.0014 0.0100 638 LYS 69 CG -0.0129 -0.0004 0.0163 639 LYS 69 CD -0.0086 -0.0009 0.0189 640 LYS 69 CE -0.0044 -0.0002 0.0251 641 LYS 69 NZ -0.0003 -0.0010 0.0269 642 LYS 69 H -0.0198 -0.0041 -0.0012 643 LYS 69 HA -0.0248 0.0009 0.0080 644 LYS 69 HB2 -0.0195 0.0001 0.0110 645 LYS 69 HB3 -0.0128 -0.0037 0.0070 646 LYS 69 HG2 -0.0100 -0.0018 0.0151 647 LYS 69 HG3 -0.0163 0.0020 0.0196 648 LYS 69 HD2 -0.0118 0.0005 0.0198 649 LYS 69 HD3 -0.0056 -0.0033 0.0152 650 LYS 69 HE2 -0.0014 -0.0015 0.0244 651 LYS 69 HE3 -0.0074 0.0022 0.0289 652 LYS 69 HZ1 0.0029 -0.0006 0.0310 653 LYS 69 HZ2 0.0025 -0.0033 0.0231 654 LYS 69 HZ3 -0.0032 0.0002 0.0274 655 ARG 70 N -0.0184 0.0047 0.0016 656 ARG 70 CA -0.0112 0.0030 -0.0031 657 ARG 70 C -0.0082 -0.0067 -0.0046 658 ARG 70 O -0.0014 -0.0085 -0.0090 659 ARG 70 CB -0.0120 0.0044 -0.0027 660 ARG 70 CG -0.0044 0.0037 -0.0076 661 ARG 70 CD 0.0012 0.0108 -0.0117 662 ARG 70 NE 0.0086 0.0101 -0.0166 663 ARG 70 CZ 0.0152 0.0122 -0.0211 664 ARG 70 NH1 0.0154 0.0153 -0.0213 665 ARG 70 NH2 0.0217 0.0114 -0.0253 666 ARG 70 H -0.0231 0.0053 0.0046 667 ARG 70 HA -0.0072 0.0078 -0.0060 668 ARG 70 HB2 -0.0149 0.0109 -0.0011 669 ARG 70 HB3 -0.0156 -0.0009 -0.0000 670 ARG 70 HG2 -0.0054 0.0050 -0.0070 671 ARG 70 HG3 -0.0019 -0.0030 -0.0090 672 ARG 70 HD2 0.0020 0.0097 -0.0122 673 ARG 70 HD3 -0.0013 0.0176 -0.0104 674 ARG 70 HE 0.0085 0.0079 -0.0164 675 ARG 70 HH11 0.0106 0.0161 -0.0183 676 ARG 70 HH12 0.0203 0.0169 -0.0247 677 ARG 70 HH21 0.0217 0.0091 -0.0252 678 ARG 70 HH22 0.0268 0.0129 -0.0288 679 LEU 71 N -0.0110 0.0005 -0.0048 680 LEU 71 CA -0.0099 -0.0010 -0.0041 681 LEU 71 C -0.0083 -0.0007 -0.0048 682 LEU 71 O -0.0068 -0.0015 -0.0047 683 LEU 71 CB -0.0111 -0.0019 -0.0031 684 LEU 71 CG -0.0128 -0.0024 -0.0023 685 LEU 71 CD1 -0.0138 -0.0034 -0.0013 686 LEU 71 CD2 -0.0123 -0.0032 -0.0019 687 LEU 71 H -0.0122 0.0007 -0.0047 688 LEU 71 HA -0.0094 -0.0017 -0.0038 689 LEU 71 HB2 -0.0115 -0.0012 -0.0035 690 LEU 71 HB3 -0.0102 -0.0030 -0.0026 691 LEU 71 HG -0.0138 -0.0013 -0.0028 692 LEU 71 HD11 -0.0128 -0.0044 -0.0008 693 LEU 71 HD12 -0.0141 -0.0027 -0.0017 694 LEU 71 HD13 -0.0150 -0.0036 -0.0008 695 LEU 71 HD21 -0.0118 -0.0024 -0.0026 696 LEU 71 HD22 -0.0114 -0.0042 -0.0014 697 LEU 71 HD23 -0.0136 -0.0035 -0.0013 698 LYS 72 N 0.0019 0.0023 0.0019 699 LYS 72 CA 0.0031 0.0011 0.0006 700 LYS 72 C 0.0034 0.0015 -0.0018 701 LYS 72 O 0.0045 0.0002 -0.0029 702 LYS 72 CB 0.0029 0.0012 0.0008 703 LYS 72 CG 0.0041 -0.0001 -0.0005 704 LYS 72 CD 0.0039 0.0001 -0.0001 705 LYS 72 CE 0.0051 -0.0012 -0.0014 706 LYS 72 NZ 0.0049 -0.0012 -0.0010 707 LYS 72 H 0.0012 0.0032 0.0027 708 LYS 72 HA 0.0039 -0.0004 0.0012 709 LYS 72 HB2 0.0027 0.0009 0.0025 710 LYS 72 HB3 0.0022 0.0027 0.0002 711 LYS 72 HG2 0.0043 0.0003 -0.0023 712 LYS 72 HG3 0.0049 -0.0016 -0.0000 713 LYS 72 HD2 0.0037 -0.0003 0.0016 714 LYS 72 HD3 0.0031 0.0015 -0.0007 715 LYS 72 HE2 0.0052 -0.0008 -0.0031 716 LYS 72 HE3 0.0059 -0.0027 -0.0009 717 LYS 72 HZ1 0.0041 0.0002 -0.0014 718 LYS 72 HZ2 0.0047 -0.0016 0.0007 719 LYS 72 HZ3 0.0057 -0.0021 -0.0018 720 GLN 73 N 0.0003 0.0008 -0.0055 721 GLN 73 CA 0.0026 0.0018 -0.0068 722 GLN 73 C 0.0042 -0.0002 -0.0076 723 GLN 73 O 0.0062 -0.0004 -0.0086 724 GLN 73 CB 0.0025 0.0042 -0.0068 725 GLN 73 CG 0.0009 0.0064 -0.0061 726 GLN 73 CD 0.0008 0.0086 -0.0062 727 GLN 73 OE1 0.0009 0.0083 -0.0062 728 GLN 73 NE2 0.0005 0.0109 -0.0061 729 GLN 73 H -0.0010 0.0014 -0.0049 730 GLN 73 HA 0.0032 0.0024 -0.0071 731 GLN 73 HB2 0.0018 0.0036 -0.0065 732 GLN 73 HB3 0.0041 0.0049 -0.0078 733 GLN 73 HG2 0.0016 0.0071 -0.0065 734 GLN 73 HG3 -0.0007 0.0057 -0.0052 735 GLN 73 HE21 0.0004 0.0111 -0.0061 736 GLN 73 HE22 0.0004 0.0125 -0.0061 737 LEU 74 N 0.0106 0.0085 -0.0020 738 LEU 74 CA 0.0152 0.0018 -0.0029 739 LEU 74 C 0.0138 -0.0005 -0.0038 740 LEU 74 O 0.0182 -0.0051 -0.0042 741 LEU 74 CB 0.0139 -0.0045 -0.0049 742 LEU 74 CG 0.0189 -0.0117 -0.0059 743 LEU 74 CD1 0.0273 -0.0102 -0.0036 744 LEU 74 CD2 0.0167 -0.0174 -0.0079 745 LEU 74 H 0.0061 0.0079 -0.0031 746 LEU 74 HA 0.0211 0.0032 -0.0012 747 LEU 74 HB2 0.0143 -0.0024 -0.0042 748 LEU 74 HB3 0.0081 -0.0057 -0.0065 749 LEU 74 HG 0.0181 -0.0141 -0.0067 750 LEU 74 HD11 0.0306 -0.0154 -0.0044 751 LEU 74 HD12 0.0282 -0.0077 -0.0027 752 LEU 74 HD13 0.0289 -0.0064 -0.0022 753 LEU 74 HD21 0.0174 -0.0152 -0.0072 754 LEU 74 HD22 0.0203 -0.0225 -0.0086 755 LEU 74 HD23 0.0108 -0.0187 -0.0096 756 SER 75 N 0.0039 0.0048 -0.0017 757 SER 75 CA 0.0033 0.0114 -0.0022 758 SER 75 C 0.0022 0.0088 -0.0061 759 SER 75 O 0.0022 0.0125 -0.0054 760 SER 75 CB 0.0058 0.0152 0.0057 761 SER 75 OG 0.0052 0.0218 0.0054 762 SER 75 H 0.0027 0.0047 -0.0052 763 SER 75 HA 0.0019 0.0157 -0.0057 764 SER 75 HB2 0.0065 0.0169 0.0081 765 SER 75 HB3 0.0072 0.0109 0.0092 766 SER 75 HG 0.0060 0.0259 0.0085 767 VAL 76 N -0.0003 0.0044 -0.0059 768 VAL 76 CA 0.0001 0.0047 -0.0083 769 VAL 76 C 0.0009 0.0094 -0.0121 770 VAL 76 O 0.0010 0.0131 -0.0115 771 VAL 76 CB 0.0003 -0.0005 -0.0114 772 VAL 76 CG1 0.0007 -0.0001 -0.0141 773 VAL 76 CG2 -0.0005 -0.0052 -0.0078 774 VAL 76 H -0.0004 0.0013 -0.0065 775 VAL 76 HA -0.0003 0.0053 -0.0053 776 VAL 76 HB 0.0007 -0.0010 -0.0144 777 VAL 76 HG11 0.0009 -0.0037 -0.0162 778 VAL 76 HG12 0.0003 0.0006 -0.0111 779 VAL 76 HG13 0.0013 0.0032 -0.0168 780 VAL 76 HG21 -0.0004 -0.0088 -0.0099 781 VAL 76 HG22 -0.0008 -0.0055 -0.0060 782 VAL 76 HG23 -0.0009 -0.0046 -0.0047 783 GLU 77 N 0.0068 0.0113 0.0011 784 GLU 77 CA 0.0103 0.0115 0.0009 785 GLU 77 C 0.0118 0.0093 -0.0018 786 GLU 77 O 0.0118 0.0080 -0.0033 787 GLU 77 CB 0.0117 0.0127 0.0021 788 GLU 77 CG 0.0103 0.0117 0.0012 789 GLU 77 CD 0.0118 0.0128 0.0023 790 GLU 77 OE1 0.0110 0.0147 0.0045 791 GLU 77 OE2 0.0138 0.0119 0.0010 792 GLU 77 H 0.0057 0.0100 -0.0003 793 GLU 77 HA 0.0111 0.0125 0.0020 794 GLU 77 HB2 0.0143 0.0125 0.0016 795 GLU 77 HB3 0.0112 0.0144 0.0041 796 GLU 77 HG2 0.0076 0.0119 0.0017 797 GLU 77 HG3 0.0107 0.0100 -0.0009 798 PRO 78 N 0.0105 0.0196 -0.0045 799 PRO 78 CA 0.0116 0.0096 -0.0019 800 PRO 78 C 0.0213 0.0103 -0.0021 801 PRO 78 O 0.0220 0.0175 -0.0040 802 PRO 78 CB 0.0011 0.0087 -0.0016 803 PRO 78 CG -0.0065 0.0163 -0.0036 804 PRO 78 CD 0.0005 0.0250 -0.0059 805 PRO 78 HA 0.0126 0.0032 -0.0002 806 PRO 78 HB2 0.0026 0.0106 -0.0021 807 PRO 78 HB3 -0.0019 0.0008 0.0005 808 PRO 78 HG2 -0.0120 0.0192 -0.0044 809 PRO 78 HG3 -0.0108 0.0126 -0.0026 810 PRO 78 HD2 0.0019 0.0308 -0.0075 811 PRO 78 HD3 -0.0031 0.0285 -0.0069 812 TYR 79 N 0.0327 0.0040 0.0046 813 TYR 79 CA 0.0435 0.0024 0.0100 814 TYR 79 C 0.0561 0.0156 0.0045 815 TYR 79 O 0.0534 0.0250 -0.0039 816 TYR 79 CB 0.0342 -0.0029 0.0106 817 TYR 79 CG 0.0234 -0.0171 0.0176 818 TYR 79 CD1 0.0074 -0.0188 0.0129 819 TYR 79 CD2 0.0293 -0.0286 0.0290 820 TYR 79 CE1 -0.0023 -0.0316 0.0192 821 TYR 79 CE2 0.0196 -0.0416 0.0354 822 TYR 79 CZ 0.0038 -0.0430 0.0305 823 TYR 79 OH -0.0060 -0.0560 0.0369 824 TYR 79 H 0.0336 -0.0010 0.0089 825 TYR 79 HA 0.0501 -0.0051 0.0184 826 TYR 79 HB2 0.0266 0.0040 0.0023 827 TYR 79 HB3 0.0429 -0.0033 0.0143 828 TYR 79 HD1 0.0026 -0.0098 0.0040 829 TYR 79 HD2 0.0418 -0.0274 0.0328 830 TYR 79 HE1 -0.0148 -0.0327 0.0153 831 TYR 79 HE2 0.0245 -0.0505 0.0443 832 TYR 79 HH 0.0006 -0.0611 0.0435 833 SER 80 N 0.0386 0.0041 0.0060 834 SER 80 CA 0.0352 0.0044 0.0098 835 SER 80 C 0.0365 0.0043 0.0086 836 SER 80 O 0.0409 0.0041 0.0056 837 SER 80 CB 0.0286 0.0039 0.0087 838 SER 80 OG 0.0247 0.0043 0.0127 839 SER 80 H 0.0373 0.0035 0.0019 840 SER 80 HA 0.0362 0.0050 0.0143 841 SER 80 HB2 0.0279 0.0040 0.0092 842 SER 80 HB3 0.0274 0.0033 0.0043 843 SER 80 HG 0.0249 0.0047 0.0163 844 GLN 81 N 0.0140 0.0121 0.0020 845 GLN 81 CA 0.0127 0.0121 -0.0017 846 GLN 81 C 0.0123 0.0125 -0.0031 847 GLN 81 O 0.0127 0.0114 -0.0015 848 GLN 81 CB 0.0120 0.0086 -0.0029 849 GLN 81 CG 0.0107 0.0087 -0.0066 850 GLN 81 CD 0.0099 0.0053 -0.0080 851 GLN 81 OE1 0.0100 0.0024 -0.0067 852 GLN 81 NE2 0.0091 0.0055 -0.0105 853 GLN 81 H 0.0142 0.0100 0.0034 854 GLN 81 HA 0.0127 0.0143 -0.0026 855 GLN 81 HB2 0.0124 0.0082 -0.0015 856 GLN 81 HB3 0.0119 0.0065 -0.0023 857 GLN 81 HG2 0.0103 0.0094 -0.0080 858 GLN 81 HG3 0.0107 0.0108 -0.0072 859 GLN 81 HE21 0.0090 0.0079 -0.0114 860 GLN 81 HE22 0.0085 0.0033 -0.0115 861 GLU 82 N 0.0188 0.0030 0.0007 862 GLU 82 CA 0.0210 -0.0015 0.0033 863 GLU 82 C 0.0147 0.0018 0.0110 864 GLU 82 O 0.0152 -0.0008 0.0141 865 GLU 82 CB 0.0271 -0.0112 0.0060 866 GLU 82 CG 0.0299 -0.0165 0.0086 867 GLU 82 CD 0.0360 -0.0257 0.0106 868 GLU 82 OE1 0.0351 -0.0295 0.0184 869 GLU 82 OE2 0.0419 -0.0295 0.0044 870 GLU 82 H 0.0182 0.0076 -0.0053 871 GLU 82 HA 0.0226 0.0004 -0.0030 872 GLU 82 HB2 0.0313 -0.0129 0.0001 873 GLU 82 HB3 0.0255 -0.0130 0.0121 874 GLU 82 HG2 0.0259 -0.0152 0.0148 875 GLU 82 HG3 0.0314 -0.0147 0.0027 876 GLU 83 N 0.0244 0.0016 0.0157 877 GLU 83 CA 0.0143 0.0082 0.0269 878 GLU 83 C -0.0031 0.0081 0.0168 879 GLU 83 O -0.0184 0.0132 0.0213 880 GLU 83 CB 0.0266 0.0085 0.0348 881 GLU 83 CG 0.0173 0.0153 0.0468 882 GLU 83 CD 0.0306 0.0157 0.0556 883 GLU 83 OE1 0.0360 0.0113 0.0473 884 GLU 83 OE2 0.0361 0.0206 0.0714 885 GLU 83 H 0.0276 -0.0035 0.0043 886 GLU 83 HA 0.0100 0.0132 0.0375 887 GLU 83 HB2 0.0383 0.0089 0.0422 888 GLU 83 HB3 0.0316 0.0033 0.0242 889 GLU 83 HG2 0.0067 0.0146 0.0392 890 GLU 83 HG3 0.0112 0.0205 0.0568 891 ALA 84 N 0.0173 0.0107 0.0099 892 ALA 84 CA 0.0076 0.0090 0.0031 893 ALA 84 C -0.0016 -0.0007 -0.0101 894 ALA 84 O -0.0071 -0.0067 -0.0183 895 ALA 84 CB 0.0177 0.0040 0.0044 896 ALA 84 H 0.0276 0.0036 0.0095 897 ALA 84 HA -0.0009 0.0188 0.0070 898 ALA 84 HB1 0.0103 0.0026 -0.0008 899 ALA 84 HB2 0.0266 -0.0056 0.0010 900 ALA 84 HB3 0.0231 0.0116 0.0138 901 GLU 85 N -0.0171 0.0086 -0.0139 902 GLU 85 CA -0.0152 0.0076 -0.0219 903 GLU 85 C -0.0081 0.0073 -0.0143 904 GLU 85 O 0.0029 0.0059 -0.0128 905 GLU 85 CB -0.0080 0.0055 -0.0330 906 GLU 85 CG -0.0075 0.0045 -0.0433 907 GLU 85 CD 0.0007 0.0035 -0.0412 908 GLU 85 OE1 0.0118 0.0017 -0.0437 909 GLU 85 OE2 -0.0037 0.0045 -0.0371 910 GLU 85 H -0.0130 0.0088 -0.0061 911 GLU 85 HA -0.0238 0.0086 -0.0247 912 GLU 85 HB2 -0.0121 0.0058 -0.0364 913 GLU 85 HB3 0.0012 0.0045 -0.0300 914 GLU 85 HG2 -0.0167 0.0058 -0.0431 915 GLU 85 HG3 -0.0056 0.0034 -0.0517 916 ARG 86 N -0.0223 0.0098 -0.0034 917 ARG 86 CA -0.0301 0.0191 -0.0052 918 ARG 86 C -0.0342 0.0179 0.0091 919 ARG 86 O -0.0281 0.0078 0.0177 920 ARG 86 CB -0.0253 0.0198 -0.0208 921 ARG 86 CG -0.0126 0.0073 -0.0243 922 ARG 86 CD -0.0102 -0.0001 -0.0124 923 ARG 86 NE 0.0021 -0.0122 -0.0156 924 ARG 86 CZ 0.0072 -0.0218 -0.0058 925 ARG 86 NH1 0.0012 -0.0205 0.0079 926 ARG 86 NH2 0.0185 -0.0325 -0.0099 927 ARG 86 H -0.0153 0.0010 -0.0006 928 ARG 86 HA -0.0376 0.0278 -0.0064 929 ARG 86 HB2 -0.0303 0.0251 -0.0204 930 ARG 86 HB3 -0.0262 0.0247 -0.0306 931 ARG 86 HG2 -0.0102 0.0091 -0.0358 932 ARG 86 HG3 -0.0075 0.0018 -0.0247 933 ARG 86 HD2 -0.0133 -0.0012 -0.0007 934 ARG 86 HD3 -0.0145 0.0050 -0.0131 935 ARG 86 HE 0.0067 -0.0133 -0.0260 936 ARG 86 HH11 -0.0073 -0.0126 0.0117 937 ARG 86 HH12 0.0050 -0.0275 0.0154 938 ARG 86 HH21 0.0233 -0.0338 -0.0203 939 ARG 86 HH22 0.0227 -0.0399 -0.0029 940 ALA 87 N -0.0124 0.0094 -0.0109 941 ALA 87 CA -0.0124 0.0104 0.0012 942 ALA 87 C -0.0097 0.0072 -0.0078 943 ALA 87 O -0.0147 0.0120 -0.0045 944 ALA 87 CB -0.0252 0.0224 0.0084 945 ALA 87 H -0.0197 0.0154 -0.0186 946 ALA 87 HA -0.0054 0.0049 0.0110 947 ALA 87 HB1 -0.0322 0.0279 -0.0015 948 ALA 87 HB2 -0.0270 0.0246 0.0147 949 ALA 87 HB3 -0.0253 0.0233 0.0171 950 ALA 88 N 0.0193 -0.0063 -0.0267 951 ALA 88 CA 0.0168 -0.0233 -0.0046 952 ALA 88 C -0.0058 -0.0152 -0.0046 953 ALA 88 O -0.0327 -0.0137 0.0058 954 ALA 88 CB 0.0082 -0.0389 0.0185 955 ALA 88 H 0.0007 0.0042 -0.0313 956 ALA 88 HA 0.0386 -0.0309 -0.0050 957 ALA 88 HB1 -0.0137 -0.0315 0.0192 958 ALA 88 HB2 0.0247 -0.0444 0.0179 959 ALA 88 HB3 0.0072 -0.0517 0.0348 960 GLY 89 N -0.0076 -0.0152 -0.0048 961 GLY 89 CA -0.0010 -0.0158 -0.0050 962 GLY 89 C -0.0032 -0.0160 -0.0039 963 GLY 89 O -0.0076 -0.0142 -0.0081 964 GLY 89 H -0.0125 -0.0154 -0.0027 965 GLY 89 HA2 0.0019 -0.0145 -0.0102 966 GLY 89 HA3 0.0028 -0.0175 -0.0007 967 MET 90 N -0.0014 -0.0099 -0.0173 968 MET 90 CA 0.0026 -0.0097 -0.0133 969 MET 90 C 0.0086 -0.0132 -0.0202 970 MET 90 O 0.0052 -0.0142 -0.0262 971 MET 90 CB -0.0050 -0.0068 -0.0099 972 MET 90 CG -0.0016 -0.0059 -0.0039 973 MET 90 SD 0.0056 -0.0093 -0.0095 974 MET 90 CE 0.0072 -0.0072 -0.0007 975 MET 90 H 0.0003 -0.0094 -0.0142 976 MET 90 HA 0.0071 -0.0092 -0.0075 977 MET 90 HB2 -0.0096 -0.0045 -0.0060 978 MET 90 HB3 -0.0090 -0.0076 -0.0159 979 MET 90 HG2 0.0024 -0.0051 0.0020 980 MET 90 HG3 -0.0076 -0.0037 -0.0017 981 MET 90 HE1 0.0106 -0.0062 0.0054 982 MET 90 HE2 0.0115 -0.0089 -0.0031 983 MET 90 HE3 0.0006 -0.0050 0.0008 984 GLY 91 N -0.0272 -0.0022 -0.0100 985 GLY 91 CA -0.0204 -0.0017 -0.0191 986 GLY 91 C -0.0146 -0.0041 -0.0114 987 GLY 91 O -0.0023 -0.0064 -0.0104 988 GLY 91 H -0.0221 -0.0044 -0.0028 989 GLY 91 HA2 -0.0274 0.0009 -0.0263 990 GLY 91 HA3 -0.0123 -0.0021 -0.0244 991 SER 92 N 0.0055 -0.0082 0.0056 992 SER 92 CA 0.0046 -0.0109 0.0095 993 SER 92 C 0.0069 -0.0110 0.0196 994 SER 92 O 0.0116 -0.0052 0.0229 995 SER 92 CB 0.0070 -0.0059 0.0055 996 SER 92 OG 0.0049 -0.0059 -0.0040 997 SER 92 H 0.0091 -0.0030 0.0061 998 SER 92 HA 0.0004 -0.0166 0.0080 999 SER 92 HB2 0.0112 -0.0002 0.0070 1000 SER 92 HB3 0.0062 -0.0081 0.0081 1001 SER 92 HG 0.0030 -0.0082 -0.0054 1002 TYR 93 N -0.0363 0.0284 0.0206 1003 TYR 93 CA -0.0250 0.0210 0.0221 1004 TYR 93 C -0.0079 0.0225 0.0390 1005 TYR 93 O -0.0040 0.0253 0.0457 1006 TYR 93 CB -0.0200 0.0030 0.0061 1007 TYR 93 CG -0.0104 -0.0059 0.0046 1008 TYR 93 CD1 -0.0204 -0.0057 -0.0041 1009 TYR 93 CD2 0.0085 -0.0144 0.0117 1010 TYR 93 CE1 -0.0120 -0.0136 -0.0056 1011 TYR 93 CE2 0.0171 -0.0223 0.0102 1012 TYR 93 CZ 0.0068 -0.0219 0.0015 1013 TYR 93 OH 0.0153 -0.0298 0.0002 1014 TYR 93 H -0.0316 0.0231 0.0187 1015 TYR 93 HA -0.0324 0.0273 0.0227 1016 TYR 93 HB2 -0.0323 0.0023 -0.0056 1017 TYR 93 HB3 -0.0112 -0.0033 0.0068 1018 TYR 93 HD1 -0.0352 0.0009 -0.0097 1019 TYR 93 HD2 0.0166 -0.0147 0.0185 1020 TYR 93 HE1 -0.0200 -0.0133 -0.0124 1021 TYR 93 HE2 0.0318 -0.0289 0.0158 1022 TYR 93 HH 0.0243 -0.0266 0.0118 1023 VAL 94 N 0.0987 0.0317 -0.0252 1024 VAL 94 CA 0.0544 -0.0009 -0.0197 1025 VAL 94 C 0.0507 -0.0091 -0.0200 1026 VAL 94 O 0.0403 0.0281 -0.0120 1027 VAL 94 CB 0.0034 0.0182 -0.0048 1028 VAL 94 CG1 -0.0076 0.0734 0.0060 1029 VAL 94 CG2 -0.0412 -0.0184 0.0002 1030 VAL 94 H 0.0933 0.0644 -0.0190 1031 VAL 94 HA 0.0620 -0.0384 -0.0271 1032 VAL 94 HB 0.0077 0.0178 -0.0059 1033 VAL 94 HG11 -0.0429 0.0846 0.0160 1034 VAL 94 HG12 -0.0106 0.0756 0.0070 1035 VAL 94 HG13 0.0230 0.0990 0.0026 1036 VAL 94 HG21 -0.0451 -0.0203 0.0008 1037 VAL 94 HG22 -0.0758 -0.0044 0.0104 1038 VAL 94 HG23 -0.0344 -0.0565 -0.0072