1 ASP 28 N -0.0148 -0.0205 0.1038 2 ASP 28 CA -0.0014 -0.0368 0.0613 3 ASP 28 C -0.0116 -0.0040 0.0291 4 ASP 28 O -0.0231 0.0183 0.0391 5 ASP 28 CB 0.0138 -0.0713 0.0643 6 ASP 28 CG 0.0283 -0.0900 0.0217 7 ASP 28 OD1 0.0390 -0.1085 0.0050 8 ASP 28 OD2 0.0299 -0.0884 0.0054 9 ASP 28 H -0.0082 -0.0425 0.1268 10 ASP 28 HA 0.0050 -0.0477 0.0511 11 ASP 28 HB2 0.0209 -0.0944 0.0872 12 ASP 28 HB3 0.0071 -0.0602 0.0755 13 PRO 29 N -0.0074 0.0203 -0.0317 14 PRO 29 CA -0.0174 0.0517 -0.0661 15 PRO 29 C 0.0005 0.0328 -0.0673 16 PRO 29 O 0.0362 -0.0031 -0.0725 17 PRO 29 CB 0.0019 0.0623 -0.1191 18 PRO 29 CG 0.0101 0.0472 -0.1091 19 PRO 29 CD 0.0167 0.0105 -0.0595 20 PRO 29 HA -0.0496 0.0805 -0.0554 21 PRO 29 HB2 0.0290 0.0455 -0.1408 22 PRO 29 HB3 -0.0188 0.0967 -0.1389 23 PRO 29 HG2 0.0369 0.0364 -0.1400 24 PRO 29 HG3 -0.0155 0.0733 -0.1058 25 PRO 29 HD2 0.0483 -0.0200 -0.0666 26 PRO 29 HD3 0.0054 0.0107 -0.0391 27 ASN 30 N -0.0069 0.0286 -0.0434 28 ASN 30 CA -0.0030 0.0244 -0.0441 29 ASN 30 C 0.0040 0.0068 -0.0276 30 ASN 30 O 0.0184 -0.0075 -0.0325 31 ASN 30 CB 0.0075 0.0248 -0.0667 32 ASN 30 CG 0.0126 0.0202 -0.0692 33 ASN 30 OD1 0.0045 0.0319 -0.0730 34 ASN 30 ND2 0.0260 0.0034 -0.0678 35 ASN 30 H -0.0174 0.0406 -0.0425 36 ASN 30 HA -0.0140 0.0351 -0.0398 37 ASN 30 HB2 0.0010 0.0382 -0.0768 38 ASN 30 HB3 0.0174 0.0154 -0.0708 39 ASN 30 HD21 0.0322 -0.0054 -0.0651 40 ASN 30 HD22 0.0295 0.0002 -0.0692 41 ALA 31 N -0.0030 0.0041 0.0001 42 ALA 31 CA -0.0005 -0.0069 0.0109 43 ALA 31 C -0.0066 0.0024 0.0263 44 ALA 31 O -0.0092 0.0031 0.0405 45 ALA 31 CB 0.0045 -0.0228 0.0182 46 ALA 31 H -0.0080 0.0148 0.0048 47 ALA 31 HA 0.0023 -0.0106 0.0024 48 ALA 31 HB1 0.0064 -0.0310 0.0257 49 ALA 31 HB2 0.0017 -0.0193 0.0268 50 ALA 31 HB3 0.0088 -0.0294 0.0072 51 GLU 32 N -0.0011 -0.0013 0.0128 52 GLU 32 CA -0.0037 0.0013 0.0183 53 GLU 32 C -0.0031 -0.0058 0.0221 54 GLU 32 O -0.0052 -0.0055 0.0281 55 GLU 32 CB -0.0039 0.0072 0.0144 56 GLU 32 CG -0.0009 0.0041 0.0080 57 GLU 32 CD -0.0014 0.0101 0.0046 58 GLU 32 OE1 -0.0025 0.0106 0.0076 59 GLU 32 OE2 -0.0006 0.0146 -0.0011 60 GLU 32 H 0.0006 -0.0008 0.0073 61 GLU 32 HA -0.0058 0.0042 0.0225 62 GLU 32 HB2 -0.0059 0.0091 0.0187 63 GLU 32 HB3 -0.0043 0.0121 0.0119 64 GLU 32 HG2 0.0010 0.0023 0.0035 65 GLU 32 HG3 -0.0004 -0.0010 0.0105 66 PHE 33 N 0.0001 -0.0137 0.0213 67 PHE 33 CA 0.0013 -0.0211 0.0237 68 PHE 33 C 0.0015 -0.0259 0.0264 69 PHE 33 O 0.0012 -0.0235 0.0254 70 PHE 33 CB 0.0053 -0.0244 0.0174 71 PHE 33 CG 0.0082 -0.0239 0.0109 72 PHE 33 CD1 0.0103 -0.0293 0.0101 73 PHE 33 CD2 0.0089 -0.0180 0.0055 74 PHE 33 CE1 0.0129 -0.0287 0.0042 75 PHE 33 CE2 0.0115 -0.0175 -0.0004 76 PHE 33 CZ 0.0135 -0.0228 -0.0010 77 PHE 33 H 0.0018 -0.0125 0.0168 78 PHE 33 HA -0.0007 -0.0210 0.0278 79 PHE 33 HB2 0.0064 -0.0302 0.0190 80 PHE 33 HB3 0.0050 -0.0215 0.0160 81 PHE 33 HD1 0.0098 -0.0339 0.0142 82 PHE 33 HD2 0.0073 -0.0138 0.0060 83 PHE 33 HE1 0.0145 -0.0329 0.0037 84 PHE 33 HE2 0.0120 -0.0128 -0.0045 85 PHE 33 HZ 0.0156 -0.0224 -0.0057 86 ASP 34 N 0.0044 -0.0301 0.0252 87 ASP 34 CA 0.0048 -0.0330 0.0265 88 ASP 34 C 0.0002 -0.0339 0.0250 89 ASP 34 O -0.0021 -0.0308 0.0228 90 ASP 34 CB 0.0083 -0.0307 0.0270 91 ASP 34 CG 0.0092 -0.0338 0.0286 92 ASP 34 OD1 0.0065 -0.0345 0.0277 93 ASP 34 OD2 0.0128 -0.0356 0.0307 94 ASP 34 H 0.0043 -0.0269 0.0239 95 ASP 34 HA 0.0058 -0.0362 0.0281 96 ASP 34 HB2 0.0114 -0.0297 0.0278 97 ASP 34 HB3 0.0071 -0.0278 0.0253 98 PRO 35 N -0.0015 -0.0404 0.0248 99 PRO 35 CA -0.0090 -0.0429 0.0222 100 PRO 35 C -0.0089 -0.0421 0.0220 101 PRO 35 O -0.0149 -0.0443 0.0200 102 PRO 35 CB -0.0109 -0.0517 0.0245 103 PRO 35 CG -0.0031 -0.0545 0.0292 104 PRO 35 CD 0.0025 -0.0474 0.0293 105 PRO 35 HA -0.0134 -0.0397 0.0190 106 PRO 35 HB2 -0.0147 -0.0549 0.0239 107 PRO 35 HB3 -0.0136 -0.0522 0.0234 108 PRO 35 HG2 -0.0015 -0.0563 0.0305 109 PRO 35 HG3 -0.0033 -0.0595 0.0309 110 PRO 35 HD2 0.0079 -0.0470 0.0316 111 PRO 35 HD3 0.0035 -0.0480 0.0299 112 ASP 36 N -0.0052 -0.0357 0.0249 113 ASP 36 CA -0.0054 -0.0313 0.0230 114 ASP 36 C -0.0051 -0.0233 0.0194 115 ASP 36 O -0.0087 -0.0185 0.0175 116 ASP 36 CB 0.0015 -0.0333 0.0235 117 ASP 36 CG 0.0018 -0.0287 0.0214 118 ASP 36 OD1 -0.0031 -0.0297 0.0222 119 ASP 36 OD2 0.0071 -0.0238 0.0190 120 ASP 36 H -0.0001 -0.0366 0.0250 121 ASP 36 HA -0.0110 -0.0323 0.0237 122 ASP 36 HB2 0.0009 -0.0390 0.0261 123 ASP 36 HB3 0.0071 -0.0328 0.0230 124 LEU 37 N -0.0032 -0.0159 0.0192 125 LEU 37 CA -0.0021 -0.0115 0.0159 126 LEU 37 C -0.0062 -0.0103 0.0168 127 LEU 37 O -0.0072 -0.0139 0.0196 128 LEU 37 CB 0.0044 -0.0124 0.0137 129 LEU 37 CG 0.0091 -0.0120 0.0114 130 LEU 37 CD1 0.0078 -0.0065 0.0084 131 LEU 37 CD2 0.0097 -0.0164 0.0140 132 LEU 37 H -0.0013 -0.0197 0.0207 133 LEU 37 HA -0.0029 -0.0081 0.0140 134 LEU 37 HB2 0.0054 -0.0164 0.0158 135 LEU 37 HB3 0.0046 -0.0096 0.0118 136 LEU 37 HG 0.0132 -0.0124 0.0099 137 LEU 37 HD11 0.0112 -0.0063 0.0069 138 LEU 37 HD12 0.0036 -0.0059 0.0098 139 LEU 37 HD13 0.0078 -0.0035 0.0065 140 LEU 37 HD21 0.0130 -0.0159 0.0122 141 LEU 37 HD22 0.0109 -0.0203 0.0159 142 LEU 37 HD23 0.0056 -0.0161 0.0155 143 PRO 38 N -0.0088 -0.0016 0.0177 144 PRO 38 CA -0.0122 -0.0005 0.0196 145 PRO 38 C -0.0090 -0.0037 0.0194 146 PRO 38 O -0.0044 -0.0037 0.0157 147 PRO 38 CB -0.0138 0.0058 0.0163 148 PRO 38 CG -0.0131 0.0081 0.0141 149 PRO 38 CD -0.0085 0.0035 0.0137 150 PRO 38 HA -0.0157 -0.0015 0.0232 151 PRO 38 HB2 -0.0112 0.0066 0.0136 152 PRO 38 HB3 -0.0180 0.0077 0.0183 153 PRO 38 HG2 -0.0122 0.0118 0.0106 154 PRO 38 HG3 -0.0168 0.0091 0.0163 155 PRO 38 HD2 -0.0047 0.0039 0.0104 156 PRO 38 HD3 -0.0091 0.0036 0.0141 157 GLY 39 N -0.0076 -0.0066 0.0223 158 GLY 39 CA -0.0052 -0.0091 0.0224 159 GLY 39 C -0.0015 -0.0132 0.0229 160 GLY 39 O 0.0018 -0.0150 0.0218 161 GLY 39 H -0.0105 -0.0066 0.0246 162 GLY 39 HA2 -0.0074 -0.0098 0.0247 163 GLY 39 HA3 -0.0037 -0.0071 0.0196 164 GLY 40 N -0.0020 -0.0180 0.0199 165 GLY 40 CA 0.0004 -0.0207 0.0208 166 GLY 40 C 0.0040 -0.0198 0.0199 167 GLY 40 O 0.0063 -0.0216 0.0205 168 GLY 40 H -0.0035 -0.0179 0.0200 169 GLY 40 HA2 -0.0002 -0.0225 0.0216 170 GLY 40 HA3 0.0002 -0.0215 0.0212 171 GLY 41 N 0.0031 -0.0131 0.0169 172 GLY 41 CA 0.0067 -0.0122 0.0141 173 GLY 41 C 0.0091 -0.0131 0.0132 174 GLY 41 O 0.0125 -0.0129 0.0110 175 GLY 41 H 0.0006 -0.0111 0.0171 176 GLY 41 HA2 0.0060 -0.0092 0.0125 177 GLY 41 HA3 0.0083 -0.0138 0.0142 178 LEU 42 N 0.0050 -0.0153 0.0162 179 LEU 42 CA 0.0066 -0.0162 0.0159 180 LEU 42 C 0.0066 -0.0148 0.0143 181 LEU 42 O 0.0081 -0.0153 0.0137 182 LEU 42 CB 0.0062 -0.0176 0.0179 183 LEU 42 CG 0.0062 -0.0191 0.0197 184 LEU 42 CD1 0.0057 -0.0203 0.0216 185 LEU 42 CD2 0.0083 -0.0201 0.0192 186 LEU 42 H 0.0035 -0.0152 0.0172 187 LEU 42 HA 0.0082 -0.0169 0.0155 188 LEU 42 HB2 0.0046 -0.0169 0.0183 189 LEU 42 HB3 0.0074 -0.0182 0.0177 190 LEU 42 HG 0.0049 -0.0185 0.0200 191 LEU 42 HD11 0.0057 -0.0214 0.0228 192 LEU 42 HD12 0.0069 -0.0209 0.0213 193 LEU 42 HD13 0.0041 -0.0196 0.0220 194 LEU 42 HD21 0.0096 -0.0207 0.0189 195 LEU 42 HD22 0.0083 -0.0212 0.0205 196 LEU 42 HD23 0.0086 -0.0192 0.0180 197 HIS 43 N 0.0087 -0.0109 0.0118 198 HIS 43 CA 0.0085 -0.0090 0.0089 199 HIS 43 C 0.0075 -0.0054 0.0047 200 HIS 43 O 0.0039 -0.0023 0.0051 201 HIS 43 CB 0.0052 -0.0076 0.0119 202 HIS 43 CG 0.0055 -0.0108 0.0166 203 HIS 43 ND1 0.0081 -0.0134 0.0169 204 HIS 43 CD2 0.0036 -0.0118 0.0212 205 HIS 43 CE1 0.0077 -0.0158 0.0215 206 HIS 43 NE2 0.0050 -0.0149 0.0242 207 HIS 43 H 0.0064 -0.0094 0.0129 208 HIS 43 HA 0.0115 -0.0110 0.0075 209 HIS 43 HB2 0.0021 -0.0051 0.0126 210 HIS 43 HB3 0.0055 -0.0065 0.0096 211 HIS 43 HD1 0.0100 -0.0136 0.0141 212 HIS 43 HD2 0.0013 -0.0104 0.0224 213 HIS 43 HE1 0.0093 -0.0181 0.0227 214 HIS 43 HE2 0.0046 -0.0166 0.0276 215 ARG 44 N 0.0084 -0.0050 0.0001 216 ARG 44 CA 0.0079 -0.0012 -0.0049 217 ARG 44 C 0.0100 -0.0003 -0.0097 218 ARG 44 O 0.0133 -0.0036 -0.0101 219 ARG 44 CB 0.0108 -0.0028 -0.0071 220 ARG 44 CG 0.0103 -0.0051 -0.0028 221 ARG 44 CD 0.0137 -0.0070 -0.0056 222 ARG 44 NE 0.0137 -0.0096 -0.0016 223 ARG 44 CZ 0.0160 -0.0111 -0.0031 224 ARG 44 NH1 0.0185 -0.0103 -0.0086 225 ARG 44 NH2 0.0157 -0.0134 0.0007 226 ARG 44 H 0.0114 -0.0082 -0.0001 227 ARG 44 HA 0.0044 0.0021 -0.0041 228 ARG 44 HB2 0.0143 -0.0052 -0.0093 229 ARG 44 HB3 0.0097 0.0004 -0.0103 230 ARG 44 HG2 0.0068 -0.0025 -0.0011 231 ARG 44 HG3 0.0111 -0.0081 0.0005 232 ARG 44 HD2 0.0171 -0.0094 -0.0076 233 ARG 44 HD3 0.0127 -0.0039 -0.0088 234 ARG 44 HE 0.0118 -0.0103 0.0025 235 ARG 44 HH11 0.0188 -0.0086 -0.0117 236 ARG 44 HH12 0.0203 -0.0114 -0.0099 237 ARG 44 HH21 0.0138 -0.0141 0.0049 238 ARG 44 HH22 0.0174 -0.0145 -0.0004 239 CYS 45 N 0.0072 0.0036 -0.0127 240 CYS 45 CA 0.0082 0.0035 -0.0159 241 CYS 45 C 0.0091 0.0040 -0.0198 242 CYS 45 O 0.0081 0.0071 -0.0207 243 CYS 45 CB 0.0068 0.0068 -0.0159 244 CYS 45 SG 0.0079 0.0073 -0.0204 245 CYS 45 H 0.0059 0.0059 -0.0119 246 CYS 45 HA 0.0093 0.0007 -0.0156 247 CYS 45 HB2 0.0063 0.0060 -0.0132 248 CYS 45 HB3 0.0055 0.0096 -0.0155 249 LEU 46 N 0.0056 0.0001 -0.0219 250 LEU 46 CA 0.0075 -0.0000 -0.0265 251 LEU 46 C 0.0082 0.0041 -0.0292 252 LEU 46 O 0.0091 0.0063 -0.0320 253 LEU 46 CB 0.0087 -0.0048 -0.0284 254 LEU 46 CG 0.0081 -0.0091 -0.0260 255 LEU 46 CD1 0.0093 -0.0136 -0.0280 256 LEU 46 CD2 0.0082 -0.0089 -0.0262 257 LEU 46 H 0.0054 -0.0025 -0.0208 258 LEU 46 HA 0.0074 0.0004 -0.0265 259 LEU 46 HB2 0.0087 -0.0052 -0.0283 260 LEU 46 HB3 0.0100 -0.0047 -0.0317 261 LEU 46 HG 0.0067 -0.0089 -0.0226 262 LEU 46 HD11 0.0092 -0.0139 -0.0275 263 LEU 46 HD12 0.0090 -0.0166 -0.0263 264 LEU 46 HD13 0.0107 -0.0136 -0.0314 265 LEU 46 HD21 0.0072 -0.0058 -0.0246 266 LEU 46 HD22 0.0096 -0.0087 -0.0296 267 LEU 46 HD23 0.0078 -0.0120 -0.0247 268 ALA 47 N 0.0033 0.0063 -0.0296 269 ALA 47 CA 0.0047 0.0081 -0.0289 270 ALA 47 C 0.0074 0.0117 -0.0284 271 ALA 47 O 0.0089 0.0137 -0.0287 272 ALA 47 CB 0.0036 0.0069 -0.0253 273 ALA 47 H 0.0020 0.0047 -0.0276 274 ALA 47 HA 0.0045 0.0078 -0.0315 275 ALA 47 HB1 0.0046 0.0082 -0.0249 276 ALA 47 HB2 0.0039 0.0073 -0.0226 277 ALA 47 HB3 0.0017 0.0044 -0.0257 278 CYS 48 N 0.0076 0.0124 -0.0286 279 CYS 48 CA 0.0069 0.0167 -0.0275 280 CYS 48 C 0.0070 0.0175 -0.0280 281 CYS 48 O 0.0066 0.0211 -0.0279 282 CYS 48 CB 0.0060 0.0179 -0.0232 283 CYS 48 SG 0.0060 0.0181 -0.0230 284 CYS 48 H 0.0075 0.0100 -0.0270 285 CYS 48 HA 0.0072 0.0187 -0.0298 286 CYS 48 HB2 0.0057 0.0159 -0.0205 287 CYS 48 HB3 0.0056 0.0211 -0.0226 288 ALA 49 N 0.0097 0.0130 -0.0267 289 ALA 49 CA 0.0098 0.0120 -0.0264 290 ALA 49 C 0.0070 0.0141 -0.0213 291 ALA 49 O 0.0066 0.0152 -0.0209 292 ALA 49 CB 0.0113 0.0147 -0.0314 293 ALA 49 H 0.0106 0.0097 -0.0270 294 ALA 49 HA 0.0109 0.0074 -0.0262 295 ALA 49 HB1 0.0102 0.0192 -0.0316 296 ALA 49 HB2 0.0132 0.0131 -0.0349 297 ALA 49 HB3 0.0114 0.0137 -0.0311 298 ARG 50 N 0.0060 0.0141 -0.0179 299 ARG 50 CA 0.0026 0.0160 -0.0130 300 ARG 50 C 0.0028 0.0115 -0.0083 301 ARG 50 O 0.0049 0.0078 -0.0085 302 ARG 50 CB 0.0002 0.0201 -0.0127 303 ARG 50 CG -0.0004 0.0251 -0.0170 304 ARG 50 CD -0.0028 0.0290 -0.0164 305 ARG 50 NE -0.0034 0.0338 -0.0206 306 ARG 50 CZ -0.0052 0.0377 -0.0212 307 ARG 50 NH1 -0.0067 0.0375 -0.0179 308 ARG 50 NH2 -0.0055 0.0418 -0.0252 309 ARG 50 H 0.0072 0.0130 -0.0191 310 ARG 50 HA 0.0016 0.0176 -0.0128 311 ARG 50 HB2 0.0013 0.0185 -0.0130 312 ARG 50 HB3 -0.0022 0.0212 -0.0088 313 ARG 50 HG2 -0.0015 0.0268 -0.0166 314 ARG 50 HG3 0.0020 0.0241 -0.0209 315 ARG 50 HD2 -0.0017 0.0272 -0.0166 316 ARG 50 HD3 -0.0052 0.0301 -0.0125 317 ARG 50 HE -0.0023 0.0339 -0.0230 318 ARG 50 HH11 -0.0066 0.0345 -0.0147 319 ARG 50 HH12 -0.0081 0.0404 -0.0182 320 ARG 50 HH21 -0.0044 0.0421 -0.0279 321 ARG 50 HH22 -0.0068 0.0447 -0.0258 322 TYR 51 N 0.0009 0.0104 -0.0022 323 TYR 51 CA 0.0002 0.0064 0.0019 324 TYR 51 C -0.0043 0.0082 0.0048 325 TYR 51 O -0.0078 0.0116 0.0054 326 TYR 51 CB -0.0000 0.0040 0.0042 327 TYR 51 CG 0.0042 0.0025 0.0013 328 TYR 51 CD1 0.0044 0.0056 -0.0016 329 TYR 51 CD2 0.0079 -0.0021 0.0016 330 TYR 51 CE1 0.0082 0.0043 -0.0042 331 TYR 51 CE2 0.0117 -0.0035 -0.0010 332 TYR 51 CZ 0.0118 -0.0003 -0.0039 333 TYR 51 OH 0.0156 -0.0016 -0.0065 334 TYR 51 H -0.0010 0.0124 -0.0020 335 TYR 51 HA 0.0030 0.0038 0.0013 336 TYR 51 HB2 -0.0029 0.0066 0.0049 337 TYR 51 HB3 -0.0004 0.0009 0.0073 338 TYR 51 HD1 0.0016 0.0092 -0.0019 339 TYR 51 HD2 0.0077 -0.0046 0.0038 340 TYR 51 HE1 0.0083 0.0068 -0.0065 341 TYR 51 HE2 0.0145 -0.0071 -0.0008 342 TYR 51 HH 0.0145 -0.0005 -0.0064 343 PHE 52 N -0.0022 0.0052 0.0067 344 PHE 52 CA -0.0050 0.0063 0.0094 345 PHE 52 C -0.0056 0.0033 0.0142 346 PHE 52 O -0.0029 -0.0004 0.0150 347 PHE 52 CB -0.0038 0.0064 0.0074 348 PHE 52 CG -0.0031 0.0094 0.0026 349 PHE 52 CD1 0.0003 0.0084 -0.0011 350 PHE 52 CD2 -0.0059 0.0133 0.0016 351 PHE 52 CE1 0.0009 0.0111 -0.0055 352 PHE 52 CE2 -0.0054 0.0160 -0.0028 353 PHE 52 CZ -0.0019 0.0149 -0.0064 354 PHE 52 H 0.0005 0.0026 0.0061 355 PHE 52 HA -0.0077 0.0093 0.0093 356 PHE 52 HB2 -0.0012 0.0033 0.0075 357 PHE 52 HB3 -0.0059 0.0072 0.0095 358 PHE 52 HD1 0.0025 0.0053 -0.0004 359 PHE 52 HD2 -0.0086 0.0142 0.0044 360 PHE 52 HE1 0.0036 0.0102 -0.0083 361 PHE 52 HE2 -0.0076 0.0191 -0.0035 362 PHE 52 HZ -0.0014 0.0171 -0.0098 363 ILE 53 N -0.0109 0.0040 0.0188 364 ILE 53 CA -0.0122 0.0009 0.0251 365 ILE 53 C -0.0091 -0.0035 0.0269 366 ILE 53 O -0.0081 -0.0076 0.0311 367 ILE 53 CB -0.0178 0.0042 0.0286 368 ILE 53 CG1 -0.0194 0.0071 0.0268 369 ILE 53 CG2 -0.0209 0.0079 0.0279 370 ILE 53 CD1 -0.0249 0.0103 0.0302 371 ILE 53 H -0.0136 0.0076 0.0176 372 ILE 53 HA -0.0114 -0.0007 0.0262 373 ILE 53 HB -0.0184 0.0016 0.0332 374 ILE 53 HG12 -0.0187 0.0096 0.0222 375 ILE 53 HG13 -0.0171 0.0043 0.0275 376 ILE 53 HG21 -0.0202 0.0103 0.0233 377 ILE 53 HG22 -0.0199 0.0057 0.0295 378 ILE 53 HG23 -0.0249 0.0102 0.0304 379 ILE 53 HD11 -0.0257 0.0078 0.0348 380 ILE 53 HD12 -0.0256 0.0122 0.0286 381 ILE 53 HD13 -0.0272 0.0131 0.0296 382 ASP 54 N -0.0066 -0.0016 0.0233 383 ASP 54 CA -0.0033 -0.0048 0.0246 384 ASP 54 C 0.0003 -0.0050 0.0190 385 ASP 54 O -0.0009 -0.0019 0.0144 386 ASP 54 CB -0.0063 -0.0040 0.0279 387 ASP 54 CG -0.0032 -0.0073 0.0297 388 ASP 54 OD1 -0.0019 -0.0104 0.0342 389 ASP 54 OD2 -0.0020 -0.0068 0.0267 390 ASP 54 H -0.0076 0.0008 0.0197 391 ASP 54 HA -0.0011 -0.0077 0.0273 392 ASP 54 HB2 -0.0090 -0.0037 0.0316 393 ASP 54 HB3 -0.0084 -0.0011 0.0251 394 SER 55 N 0.0039 -0.0073 0.0189 395 SER 55 CA 0.0076 -0.0072 0.0145 396 SER 55 C 0.0054 -0.0041 0.0117 397 SER 55 O 0.0069 -0.0023 0.0070 398 SER 55 CB 0.0120 -0.0112 0.0162 399 SER 55 OG 0.0157 -0.0113 0.0121 400 SER 55 H 0.0043 -0.0096 0.0223 401 SER 55 HA 0.0089 -0.0066 0.0119 402 SER 55 HB2 0.0136 -0.0131 0.0177 403 SER 55 HB3 0.0107 -0.0121 0.0192 404 SER 55 HG 0.0150 -0.0106 0.0118 405 THR 56 N 0.0050 -0.0033 0.0137 406 THR 56 CA 0.0029 -0.0011 0.0109 407 THR 56 C -0.0001 0.0017 0.0078 408 THR 56 O 0.0000 0.0034 0.0036 409 THR 56 CB -0.0000 -0.0012 0.0141 410 THR 56 OG1 0.0027 -0.0039 0.0175 411 THR 56 CG2 -0.0016 0.0008 0.0114 412 THR 56 H 0.0040 -0.0044 0.0171 413 THR 56 HA 0.0057 -0.0015 0.0087 414 THR 56 HB -0.0030 -0.0006 0.0159 415 THR 56 HG1 0.0025 -0.0049 0.0199 416 THR 56 HG21 -0.0037 0.0007 0.0137 417 THR 56 HG22 0.0014 0.0002 0.0095 418 THR 56 HG23 -0.0037 0.0029 0.0089 419 ASN 57 N -0.0026 0.0029 0.0111 420 ASN 57 CA -0.0052 0.0065 0.0080 421 ASN 57 C -0.0019 0.0068 0.0032 422 ASN 57 O -0.0030 0.0097 -0.0009 423 ASN 57 CB -0.0084 0.0071 0.0112 424 ASN 57 CG -0.0131 0.0087 0.0146 425 ASN 57 OD1 -0.0165 0.0121 0.0130 426 ASN 57 ND2 -0.0132 0.0062 0.0193 427 ASN 57 H -0.0026 0.0012 0.0143 428 ASN 57 HA -0.0074 0.0087 0.0069 429 ASN 57 HB2 -0.0065 0.0044 0.0137 430 ASN 57 HB3 -0.0090 0.0089 0.0087 431 ASN 57 HD21 -0.0105 0.0035 0.0206 432 ASN 57 HD22 -0.0163 0.0072 0.0215 433 LEU 58 N 0.0011 0.0047 0.0037 434 LEU 58 CA 0.0033 0.0042 0.0001 435 LEU 58 C 0.0049 0.0039 -0.0027 436 LEU 58 O 0.0050 0.0053 -0.0062 437 LEU 58 CB 0.0056 0.0015 0.0014 438 LEU 58 CG 0.0085 0.0002 -0.0019 439 LEU 58 CD1 0.0112 -0.0018 -0.0029 440 LEU 58 CD2 0.0075 0.0028 -0.0056 441 LEU 58 H 0.0016 0.0031 0.0063 442 LEU 58 HA 0.0018 0.0062 -0.0014 443 LEU 58 HB2 0.0043 0.0022 0.0028 444 LEU 58 HB3 0.0065 -0.0003 0.0036 445 LEU 58 HG 0.0095 -0.0012 -0.0009 446 LEU 58 HD11 0.0132 -0.0027 -0.0052 447 LEU 58 HD12 0.0104 -0.0006 -0.0040 448 LEU 58 HD13 0.0120 -0.0037 -0.0003 449 LEU 58 HD21 0.0066 0.0041 -0.0069 450 LEU 58 HD22 0.0095 0.0018 -0.0078 451 LEU 58 HD23 0.0056 0.0042 -0.0048 452 LYS 59 N 0.0077 0.0025 -0.0006 453 LYS 59 CA 0.0096 0.0033 -0.0038 454 LYS 59 C 0.0070 0.0045 -0.0067 455 LYS 59 O 0.0080 0.0053 -0.0098 456 LYS 59 CB 0.0122 0.0029 -0.0030 457 LYS 59 CG 0.0103 0.0026 -0.0017 458 LYS 59 CD 0.0130 0.0021 -0.0007 459 LYS 59 CE 0.0153 0.0029 -0.0038 460 LYS 59 NZ 0.0130 0.0039 -0.0064 461 LYS 59 H 0.0078 0.0018 0.0016 462 LYS 59 HA 0.0113 0.0035 -0.0047 463 LYS 59 HB2 0.0137 0.0035 -0.0053 464 LYS 59 HB3 0.0140 0.0021 -0.0010 465 LYS 59 HG2 0.0087 0.0020 0.0006 466 LYS 59 HG3 0.0086 0.0034 -0.0037 467 LYS 59 HD2 0.0149 0.0014 0.0011 468 LYS 59 HD3 0.0116 0.0018 0.0005 469 LYS 59 HE2 0.0166 0.0032 -0.0051 470 LYS 59 HE3 0.0173 0.0025 -0.0029 471 LYS 59 HZ1 0.0118 0.0036 -0.0053 472 LYS 59 HZ2 0.0146 0.0044 -0.0084 473 LYS 59 HZ3 0.0110 0.0044 -0.0074 474 THR 60 N 0.0053 0.0047 -0.0040 475 THR 60 CA 0.0034 0.0060 -0.0053 476 THR 60 C 0.0027 0.0070 -0.0072 477 THR 60 O 0.0021 0.0079 -0.0092 478 THR 60 CB 0.0012 0.0064 -0.0036 479 THR 60 OG1 0.0020 0.0056 -0.0019 480 THR 60 CG2 -0.0007 0.0078 -0.0049 481 THR 60 H 0.0049 0.0043 -0.0022 482 THR 60 HA 0.0042 0.0060 -0.0064 483 THR 60 HB 0.0006 0.0064 -0.0026 484 THR 60 HG1 0.0029 0.0048 -0.0007 485 THR 60 HG21 -0.0022 0.0080 -0.0036 486 THR 60 HG22 0.0000 0.0078 -0.0060 487 THR 60 HG23 -0.0013 0.0084 -0.0062 488 HIS 61 N 0.0043 0.0087 -0.0054 489 HIS 61 CA 0.0042 0.0099 -0.0076 490 HIS 61 C 0.0049 0.0089 -0.0096 491 HIS 61 O 0.0047 0.0101 -0.0112 492 HIS 61 CB 0.0043 0.0101 -0.0083 493 HIS 61 CG 0.0045 0.0106 -0.0109 494 HIS 61 ND1 0.0040 0.0127 -0.0120 495 HIS 61 CD2 0.0052 0.0093 -0.0125 496 HIS 61 CE1 0.0044 0.0125 -0.0142 497 HIS 61 NE2 0.0051 0.0105 -0.0146 498 HIS 61 H 0.0045 0.0079 -0.0047 499 HIS 61 HA 0.0037 0.0115 -0.0074 500 HIS 61 HB2 0.0037 0.0114 -0.0074 501 HIS 61 HB3 0.0047 0.0086 -0.0078 502 HIS 61 HD1 0.0034 0.0140 -0.0112 503 HIS 61 HD2 0.0057 0.0075 -0.0123 504 HIS 61 HE1 0.0042 0.0136 -0.0157 505 PHE 62 N 0.0078 0.0067 -0.0104 506 PHE 62 CA 0.0078 0.0055 -0.0116 507 PHE 62 C 0.0081 0.0049 -0.0113 508 PHE 62 O 0.0082 0.0039 -0.0122 509 PHE 62 CB 0.0082 0.0040 -0.0119 510 PHE 62 CG 0.0080 0.0044 -0.0120 511 PHE 62 CD1 0.0073 0.0054 -0.0132 512 PHE 62 CD2 0.0086 0.0038 -0.0110 513 PHE 62 CE1 0.0072 0.0058 -0.0133 514 PHE 62 CE2 0.0084 0.0042 -0.0111 515 PHE 62 CZ 0.0077 0.0051 -0.0122 516 PHE 62 H 0.0082 0.0063 -0.0094 517 PHE 62 HA 0.0072 0.0061 -0.0127 518 PHE 62 HB2 0.0088 0.0032 -0.0110 519 PHE 62 HB3 0.0080 0.0035 -0.0131 520 PHE 62 HD1 0.0069 0.0059 -0.0140 521 PHE 62 HD2 0.0091 0.0031 -0.0101 522 PHE 62 HE1 0.0066 0.0065 -0.0142 523 PHE 62 HE2 0.0088 0.0037 -0.0103 524 PHE 62 HZ 0.0076 0.0054 -0.0122 525 ARG 63 N 0.0091 0.0012 -0.0097 526 ARG 63 CA 0.0092 0.0010 -0.0108 527 ARG 63 C 0.0088 0.0001 -0.0106 528 ARG 63 O 0.0088 -0.0001 -0.0114 529 ARG 63 CB 0.0092 0.0007 -0.0120 530 ARG 63 CG 0.0097 0.0017 -0.0124 531 ARG 63 CD 0.0097 0.0013 -0.0136 532 ARG 63 NE 0.0097 0.0010 -0.0147 533 ARG 63 CZ 0.0097 0.0008 -0.0159 534 ARG 63 NH1 0.0098 0.0010 -0.0162 535 ARG 63 NH2 0.0097 0.0005 -0.0167 536 ARG 63 H 0.0090 0.0008 -0.0098 537 ARG 63 HA 0.0096 0.0019 -0.0109 538 ARG 63 HB2 0.0089 -0.0001 -0.0119 539 ARG 63 HB3 0.0092 0.0005 -0.0128 540 ARG 63 HG2 0.0100 0.0025 -0.0126 541 ARG 63 HG3 0.0097 0.0019 -0.0117 542 ARG 63 HD2 0.0100 0.0021 -0.0139 543 ARG 63 HD3 0.0093 0.0006 -0.0135 544 ARG 63 HE 0.0096 0.0009 -0.0144 545 ARG 63 HH11 0.0099 0.0013 -0.0156 546 ARG 63 HH12 0.0099 0.0009 -0.0171 547 ARG 63 HH21 0.0096 0.0004 -0.0165 548 ARG 63 HH22 0.0097 0.0004 -0.0177 549 SER 64 N 0.0114 -0.0013 -0.0083 550 SER 64 CA 0.0106 -0.0028 -0.0076 551 SER 64 C 0.0085 -0.0038 -0.0070 552 SER 64 O 0.0067 -0.0028 -0.0073 553 SER 64 CB 0.0098 -0.0017 -0.0080 554 SER 64 OG 0.0115 -0.0003 -0.0087 555 SER 64 H 0.0109 0.0002 -0.0089 556 SER 64 HA 0.0119 -0.0040 -0.0072 557 SER 64 HB2 0.0082 -0.0008 -0.0083 558 SER 64 HB3 0.0094 -0.0029 -0.0075 559 SER 64 HG 0.0127 -0.0012 -0.0085 560 LYS 65 N 0.0106 -0.0094 -0.0075 561 LYS 65 CA 0.0075 -0.0094 -0.0052 562 LYS 65 C 0.0046 -0.0102 -0.0026 563 LYS 65 O 0.0014 -0.0088 -0.0013 564 LYS 65 CB 0.0085 -0.0119 -0.0043 565 LYS 65 CG 0.0110 -0.0158 -0.0034 566 LYS 65 CD 0.0095 -0.0182 -0.0007 567 LYS 65 CE 0.0121 -0.0220 0.0001 568 LYS 65 NZ 0.0107 -0.0243 0.0026 569 LYS 65 H 0.0129 -0.0111 -0.0080 570 LYS 65 HA 0.0063 -0.0067 -0.0062 571 LYS 65 HB2 0.0061 -0.0120 -0.0024 572 LYS 65 HB3 0.0097 -0.0105 -0.0060 573 LYS 65 HG2 0.0117 -0.0170 -0.0030 574 LYS 65 HG3 0.0134 -0.0157 -0.0052 575 LYS 65 HD2 0.0088 -0.0170 -0.0010 576 LYS 65 HD3 0.0071 -0.0183 0.0011 577 LYS 65 HE2 0.0126 -0.0232 0.0005 578 LYS 65 HE3 0.0145 -0.0218 -0.0018 579 LYS 65 HZ1 0.0083 -0.0245 0.0045 580 LYS 65 HZ2 0.0103 -0.0232 0.0022 581 LYS 65 HZ3 0.0125 -0.0269 0.0031 582 ASP 66 N 0.0068 -0.0120 -0.0018 583 ASP 66 CA 0.0049 -0.0129 0.0003 584 ASP 66 C 0.0027 -0.0101 -0.0009 585 ASP 66 O -0.0001 -0.0100 0.0006 586 ASP 66 CB 0.0074 -0.0153 0.0010 587 ASP 66 CG 0.0056 -0.0167 0.0035 588 ASP 66 OD1 0.0050 -0.0190 0.0060 589 ASP 66 OD2 0.0048 -0.0157 0.0030 590 ASP 66 H 0.0094 -0.0126 -0.0028 591 ASP 66 HA 0.0031 -0.0138 0.0022 592 ASP 66 HB2 0.0092 -0.0170 0.0015 593 ASP 66 HB3 0.0089 -0.0143 -0.0009 594 HIS 67 N 0.0055 -0.0051 -0.0033 595 HIS 67 CA 0.0036 -0.0024 -0.0062 596 HIS 67 C -0.0006 -0.0022 -0.0064 597 HIS 67 O -0.0035 -0.0016 -0.0071 598 HIS 67 CB 0.0061 -0.0001 -0.0088 599 HIS 67 CG 0.0048 0.0027 -0.0118 600 HIS 67 ND1 0.0030 0.0033 -0.0125 601 HIS 67 CD2 0.0062 0.0049 -0.0143 602 HIS 67 CE1 0.0034 0.0059 -0.0154 603 HIS 67 NE2 0.0053 0.0069 -0.0166 604 HIS 67 H 0.0080 -0.0052 -0.0032 605 HIS 67 HA 0.0032 -0.0022 -0.0065 606 HIS 67 HB2 0.0092 -0.0000 -0.0089 607 HIS 67 HB3 0.0064 -0.0002 -0.0087 608 HIS 67 HD1 0.0016 0.0021 -0.0112 609 HIS 67 HD2 0.0071 0.0049 -0.0143 610 HIS 67 HE1 0.0023 0.0070 -0.0167 611 LYS 68 N 0.0002 -0.0026 -0.0056 612 LYS 68 CA -0.0020 -0.0012 -0.0055 613 LYS 68 C -0.0047 -0.0034 -0.0035 614 LYS 68 O -0.0076 -0.0023 -0.0031 615 LYS 68 CB 0.0001 -0.0008 -0.0065 616 LYS 68 CG 0.0030 0.0012 -0.0084 617 LYS 68 CD 0.0051 0.0015 -0.0093 618 LYS 68 CE 0.0068 -0.0018 -0.0082 619 LYS 68 NZ 0.0090 -0.0015 -0.0090 620 LYS 68 H 0.0025 -0.0035 -0.0059 621 LYS 68 HA -0.0033 0.0011 -0.0063 622 LYS 68 HB2 0.0012 -0.0031 -0.0056 623 LYS 68 HB3 -0.0015 0.0005 -0.0066 624 LYS 68 HG2 0.0021 0.0035 -0.0093 625 LYS 68 HG3 0.0046 -0.0000 -0.0084 626 LYS 68 HD2 0.0035 0.0026 -0.0093 627 LYS 68 HD3 0.0071 0.0030 -0.0107 628 LYS 68 HE2 0.0083 -0.0029 -0.0081 629 LYS 68 HE3 0.0049 -0.0032 -0.0068 630 LYS 68 HZ1 0.0077 -0.0004 -0.0092 631 LYS 68 HZ2 0.0103 -0.0038 -0.0083 632 LYS 68 HZ3 0.0109 -0.0002 -0.0104 633 LYS 69 N -0.0050 -0.0076 -0.0000 634 LYS 69 CA -0.0074 -0.0101 0.0028 635 LYS 69 C -0.0101 -0.0091 0.0027 636 LYS 69 O -0.0138 -0.0093 0.0040 637 LYS 69 CB -0.0044 -0.0132 0.0045 638 LYS 69 CG -0.0060 -0.0160 0.0072 639 LYS 69 CD -0.0023 -0.0186 0.0083 640 LYS 69 CE -0.0032 -0.0215 0.0110 641 LYS 69 NZ 0.0008 -0.0238 0.0117 642 LYS 69 H -0.0020 -0.0083 -0.0003 643 LYS 69 HA -0.0093 -0.0105 0.0036 644 LYS 69 HB2 -0.0031 -0.0142 0.0049 645 LYS 69 HB3 -0.0019 -0.0126 0.0032 646 LYS 69 HG2 -0.0074 -0.0149 0.0067 647 LYS 69 HG3 -0.0082 -0.0170 0.0086 648 LYS 69 HD2 -0.0009 -0.0195 0.0087 649 LYS 69 HD3 -0.0000 -0.0175 0.0067 650 LYS 69 HE2 -0.0047 -0.0207 0.0107 651 LYS 69 HE3 -0.0052 -0.0228 0.0126 652 LYS 69 HZ1 0.0003 -0.0259 0.0135 653 LYS 69 HZ2 0.0027 -0.0226 0.0101 654 LYS 69 HZ3 0.0023 -0.0247 0.0119 655 ARG 70 N -0.0070 -0.0087 0.0003 656 ARG 70 CA -0.0096 -0.0075 -0.0001 657 ARG 70 C -0.0132 -0.0042 -0.0021 658 ARG 70 O -0.0170 -0.0036 -0.0017 659 ARG 70 CB -0.0063 -0.0065 -0.0017 660 ARG 70 CG -0.0088 -0.0056 -0.0019 661 ARG 70 CD -0.0112 -0.0088 0.0013 662 ARG 70 NE -0.0138 -0.0079 0.0012 663 ARG 70 CZ -0.0177 -0.0094 0.0032 664 ARG 70 NH1 -0.0194 -0.0118 0.0056 665 ARG 70 NH2 -0.0198 -0.0084 0.0029 666 ARG 70 H -0.0036 -0.0084 -0.0007 667 ARG 70 HA -0.0114 -0.0098 0.0022 668 ARG 70 HB2 -0.0034 -0.0088 -0.0004 669 ARG 70 HB3 -0.0048 -0.0041 -0.0040 670 ARG 70 HG2 -0.0062 -0.0050 -0.0029 671 ARG 70 HG3 -0.0114 -0.0032 -0.0033 672 ARG 70 HD2 -0.0137 -0.0094 0.0024 673 ARG 70 HD3 -0.0086 -0.0112 0.0027 674 ARG 70 HE -0.0125 -0.0062 -0.0006 675 ARG 70 HH11 -0.0180 -0.0126 0.0060 676 ARG 70 HH12 -0.0224 -0.0129 0.0072 677 ARG 70 HH21 -0.0185 -0.0066 0.0011 678 ARG 70 HH22 -0.0227 -0.0094 0.0044 679 LEU 71 N -0.0101 -0.0024 -0.0033 680 LEU 71 CA -0.0131 0.0005 -0.0056 681 LEU 71 C -0.0176 -0.0006 -0.0037 682 LEU 71 O -0.0214 0.0010 -0.0047 683 LEU 71 CB -0.0108 0.0025 -0.0079 684 LEU 71 CG -0.0062 0.0038 -0.0100 685 LEU 71 CD1 -0.0044 0.0059 -0.0123 686 LEU 71 CD2 -0.0067 0.0058 -0.0119 687 LEU 71 H -0.0072 -0.0030 -0.0032 688 LEU 71 HA -0.0140 0.0021 -0.0070 689 LEU 71 HB2 -0.0101 0.0008 -0.0064 690 LEU 71 HB3 -0.0132 0.0045 -0.0096 691 LEU 71 HG -0.0036 0.0016 -0.0083 692 LEU 71 HD11 -0.0069 0.0080 -0.0140 693 LEU 71 HD12 -0.0039 0.0043 -0.0109 694 LEU 71 HD13 -0.0011 0.0067 -0.0138 695 LEU 71 HD21 -0.0076 0.0043 -0.0102 696 LEU 71 HD22 -0.0094 0.0080 -0.0136 697 LEU 71 HD23 -0.0034 0.0067 -0.0134 698 LYS 72 N -0.0188 -0.0031 -0.0021 699 LYS 72 CA -0.0233 -0.0053 0.0001 700 LYS 72 C -0.0276 -0.0069 0.0018 701 LYS 72 O -0.0328 -0.0065 0.0020 702 LYS 72 CB -0.0208 -0.0093 0.0031 703 LYS 72 CG -0.0252 -0.0119 0.0057 704 LYS 72 CD -0.0222 -0.0156 0.0084 705 LYS 72 CE -0.0266 -0.0182 0.0109 706 LYS 72 NZ -0.0238 -0.0217 0.0134 707 LYS 72 H -0.0148 -0.0043 -0.0015 708 LYS 72 HA -0.0256 -0.0030 -0.0015 709 LYS 72 HB2 -0.0177 -0.0082 0.0019 710 LYS 72 HB3 -0.0185 -0.0116 0.0048 711 LYS 72 HG2 -0.0279 -0.0134 0.0071 712 LYS 72 HG3 -0.0276 -0.0096 0.0041 713 LYS 72 HD2 -0.0194 -0.0142 0.0069 714 LYS 72 HD3 -0.0198 -0.0179 0.0100 715 LYS 72 HE2 -0.0293 -0.0197 0.0124 716 LYS 72 HE3 -0.0291 -0.0158 0.0092 717 LYS 72 HZ1 -0.0213 -0.0240 0.0151 718 LYS 72 HZ2 -0.0211 -0.0203 0.0120 719 LYS 72 HZ3 -0.0269 -0.0234 0.0151 720 GLN 73 N -0.0244 -0.0084 0.0034 721 GLN 73 CA -0.0270 -0.0096 0.0049 722 GLN 73 C -0.0296 -0.0066 0.0027 723 GLN 73 O -0.0335 -0.0068 0.0033 724 GLN 73 CB -0.0240 -0.0117 0.0063 725 GLN 73 CG -0.0215 -0.0149 0.0087 726 GLN 73 CD -0.0183 -0.0169 0.0099 727 GLN 73 OE1 -0.0165 -0.0154 0.0084 728 GLN 73 NE2 -0.0176 -0.0202 0.0127 729 GLN 73 H -0.0211 -0.0086 0.0032 730 GLN 73 HA -0.0294 -0.0112 0.0066 731 GLN 73 HB2 -0.0215 -0.0102 0.0045 732 GLN 73 HB3 -0.0260 -0.0126 0.0073 733 GLN 73 HG2 -0.0239 -0.0166 0.0105 734 GLN 73 HG3 -0.0195 -0.0142 0.0077 735 GLN 73 HE21 -0.0192 -0.0212 0.0138 736 GLN 73 HE22 -0.0156 -0.0216 0.0136 737 LEU 74 N -0.0268 -0.0045 0.0003 738 LEU 74 CA -0.0288 -0.0013 -0.0021 739 LEU 74 C -0.0325 0.0017 -0.0038 740 LEU 74 O -0.0353 0.0042 -0.0053 741 LEU 74 CB -0.0245 0.0003 -0.0048 742 LEU 74 CG -0.0259 0.0034 -0.0073 743 LEU 74 CD1 -0.0285 0.0020 -0.0053 744 LEU 74 CD2 -0.0213 0.0048 -0.0099 745 LEU 74 H -0.0234 -0.0047 -0.0005 746 LEU 74 HA -0.0307 -0.0024 -0.0005 747 LEU 74 HB2 -0.0218 -0.0019 -0.0035 748 LEU 74 HB3 -0.0230 0.0015 -0.0063 749 LEU 74 HG -0.0284 0.0058 -0.0088 750 LEU 74 HD11 -0.0293 0.0043 -0.0071 751 LEU 74 HD12 -0.0261 -0.0004 -0.0037 752 LEU 74 HD13 -0.0319 0.0012 -0.0036 753 LEU 74 HD21 -0.0187 0.0025 -0.0085 754 LEU 74 HD22 -0.0223 0.0070 -0.0117 755 LEU 74 HD23 -0.0195 0.0059 -0.0114 756 SER 75 N -0.0330 0.0011 -0.0026 757 SER 75 CA -0.0369 0.0038 -0.0042 758 SER 75 C -0.0349 0.0084 -0.0088 759 SER 75 O -0.0383 0.0116 -0.0110 760 SER 75 CB -0.0434 0.0042 -0.0031 761 SER 75 OG -0.0473 0.0066 -0.0044 762 SER 75 H -0.0301 -0.0012 -0.0011 763 SER 75 HA -0.0364 0.0022 -0.0028 764 SER 75 HB2 -0.0445 0.0009 0.0001 765 SER 75 HB3 -0.0439 0.0058 -0.0045 766 SER 75 HG -0.0505 0.0050 -0.0023 767 VAL 76 N -0.0259 0.0068 -0.0082 768 VAL 76 CA -0.0235 0.0105 -0.0123 769 VAL 76 C -0.0238 0.0120 -0.0135 770 VAL 76 O -0.0262 0.0155 -0.0160 771 VAL 76 CB -0.0176 0.0098 -0.0132 772 VAL 76 CG1 -0.0151 0.0136 -0.0173 773 VAL 76 CG2 -0.0171 0.0084 -0.0120 774 VAL 76 H -0.0236 0.0042 -0.0064 775 VAL 76 HA -0.0258 0.0129 -0.0138 776 VAL 76 HB -0.0154 0.0074 -0.0115 777 VAL 76 HG11 -0.0109 0.0130 -0.0179 778 VAL 76 HG12 -0.0173 0.0161 -0.0190 779 VAL 76 HG13 -0.0152 0.0145 -0.0181 780 VAL 76 HG21 -0.0130 0.0078 -0.0126 781 VAL 76 HG22 -0.0188 0.0056 -0.0090 782 VAL 76 HG23 -0.0194 0.0107 -0.0135 783 GLU 77 N -0.0240 0.0109 -0.0121 784 GLU 77 CA -0.0239 0.0114 -0.0126 785 GLU 77 C -0.0242 0.0074 -0.0091 786 GLU 77 O -0.0203 0.0049 -0.0076 787 GLU 77 CB -0.0191 0.0135 -0.0150 788 GLU 77 CG -0.0138 0.0117 -0.0142 789 GLU 77 CD -0.0093 0.0138 -0.0167 790 GLU 77 OE1 -0.0085 0.0171 -0.0196 791 GLU 77 OE2 -0.0065 0.0121 -0.0156 792 GLU 77 H -0.0222 0.0085 -0.0103 793 GLU 77 HA -0.0274 0.0133 -0.0137 794 GLU 77 HB2 -0.0189 0.0133 -0.0149 795 GLU 77 HB3 -0.0196 0.0167 -0.0176 796 GLU 77 HG2 -0.0139 0.0119 -0.0144 797 GLU 77 HG3 -0.0133 0.0086 -0.0116 798 PRO 78 N -0.0311 0.0086 -0.0083 799 PRO 78 CA -0.0319 0.0048 -0.0049 800 PRO 78 C -0.0288 0.0056 -0.0064 801 PRO 78 O -0.0300 0.0095 -0.0093 802 PRO 78 CB -0.0387 0.0054 -0.0036 803 PRO 78 CG -0.0413 0.0084 -0.0054 804 PRO 78 CD -0.0368 0.0115 -0.0092 805 PRO 78 HA -0.0301 0.0014 -0.0025 806 PRO 78 HB2 -0.0399 0.0071 -0.0047 807 PRO 78 HB3 -0.0400 0.0020 -0.0003 808 PRO 78 HG2 -0.0454 0.0105 -0.0060 809 PRO 78 HG3 -0.0419 0.0062 -0.0034 810 PRO 78 HD2 -0.0375 0.0147 -0.0117 811 PRO 78 HD3 -0.0370 0.0124 -0.0099 812 TYR 79 N -0.0252 0.0028 -0.0047 813 TYR 79 CA -0.0203 0.0030 -0.0059 814 TYR 79 C -0.0151 0.0070 -0.0096 815 TYR 79 O -0.0160 0.0123 -0.0129 816 TYR 79 CB -0.0236 0.0045 -0.0062 817 TYR 79 CG -0.0279 0.0001 -0.0023 818 TYR 79 CD1 -0.0347 0.0005 -0.0011 819 TYR 79 CD2 -0.0252 -0.0046 0.0001 820 TYR 79 CE1 -0.0387 -0.0036 0.0024 821 TYR 79 CE2 -0.0291 -0.0087 0.0037 822 TYR 79 CZ -0.0359 -0.0082 0.0048 823 TYR 79 OH -0.0399 -0.0124 0.0084 824 TYR 79 H -0.0251 -0.0008 -0.0023 825 TYR 79 HA -0.0176 -0.0013 -0.0037 826 TYR 79 HB2 -0.0267 0.0086 -0.0082 827 TYR 79 HB3 -0.0196 0.0048 -0.0072 828 TYR 79 HD1 -0.0369 0.0041 -0.0030 829 TYR 79 HD2 -0.0199 -0.0050 -0.0008 830 TYR 79 HE1 -0.0440 -0.0032 0.0032 831 TYR 79 HE2 -0.0269 -0.0123 0.0055 832 TYR 79 HH -0.0373 -0.0160 0.0102 833 SER 80 N -0.0086 0.0044 -0.0076 834 SER 80 CA -0.0050 0.0067 -0.0096 835 SER 80 C -0.0001 0.0061 -0.0106 836 SER 80 O 0.0001 0.0047 -0.0100 837 SER 80 CB -0.0044 0.0045 -0.0087 838 SER 80 OG -0.0012 0.0068 -0.0107 839 SER 80 H -0.0083 0.0011 -0.0060 840 SER 80 HA -0.0063 0.0103 -0.0110 841 SER 80 HB2 -0.0079 0.0047 -0.0079 842 SER 80 HB3 -0.0029 0.0009 -0.0074 843 SER 80 HG -0.0032 0.0095 -0.0115 844 GLN 81 N 0.0076 0.0069 -0.0095 845 GLN 81 CA 0.0108 0.0068 -0.0102 846 GLN 81 C 0.0116 0.0035 -0.0105 847 GLN 81 O 0.0100 0.0016 -0.0102 848 GLN 81 CB 0.0119 0.0083 -0.0104 849 GLN 81 CG 0.0152 0.0086 -0.0111 850 GLN 81 CD 0.0164 0.0099 -0.0114 851 GLN 81 OE1 0.0152 0.0095 -0.0111 852 GLN 81 NE2 0.0188 0.0114 -0.0119 853 GLN 81 H 0.0064 0.0076 -0.0092 854 GLN 81 HA 0.0117 0.0078 -0.0104 855 GLN 81 HB2 0.0110 0.0105 -0.0101 856 GLN 81 HB3 0.0112 0.0070 -0.0103 857 GLN 81 HG2 0.0161 0.0064 -0.0114 858 GLN 81 HG3 0.0158 0.0100 -0.0112 859 GLN 81 HE21 0.0196 0.0117 -0.0120 860 GLN 81 HE22 0.0197 0.0123 -0.0120 861 GLU 82 N 0.0140 0.0038 -0.0077 862 GLU 82 CA 0.0153 0.0007 -0.0079 863 GLU 82 C 0.0140 -0.0014 -0.0081 864 GLU 82 O 0.0149 -0.0041 -0.0083 865 GLU 82 CB 0.0149 -0.0005 -0.0080 866 GLU 82 CG 0.0162 -0.0036 -0.0083 867 GLU 82 CD 0.0158 -0.0045 -0.0084 868 GLU 82 OE1 0.0132 -0.0054 -0.0084 869 GLU 82 OE2 0.0180 -0.0044 -0.0084 870 GLU 82 H 0.0154 0.0053 -0.0076 871 GLU 82 HA 0.0177 0.0010 -0.0079 872 GLU 82 HB2 0.0159 0.0011 -0.0079 873 GLU 82 HB3 0.0124 -0.0006 -0.0080 874 GLU 82 HG2 0.0150 -0.0053 -0.0084 875 GLU 82 HG3 0.0186 -0.0036 -0.0083 876 GLU 83 N 0.0110 -0.0026 -0.0079 877 GLU 83 CA 0.0064 -0.0050 -0.0062 878 GLU 83 C 0.0048 -0.0005 -0.0075 879 GLU 83 O 0.0059 -0.0019 -0.0072 880 GLU 83 CB 0.0005 -0.0067 -0.0046 881 GLU 83 CG -0.0047 -0.0092 -0.0028 882 GLU 83 CD -0.0100 -0.0114 -0.0011 883 GLU 83 OE1 -0.0139 -0.0076 -0.0017 884 GLU 83 OE2 -0.0103 -0.0170 0.0009 885 GLU 83 H 0.0103 0.0015 -0.0092 886 GLU 83 HA 0.0086 -0.0091 -0.0052 887 GLU 83 HB2 0.0019 -0.0100 -0.0037 888 GLU 83 HB3 -0.0014 -0.0026 -0.0057 889 GLU 83 HG2 -0.0066 -0.0057 -0.0037 890 GLU 83 HG3 -0.0027 -0.0131 -0.0018 891 ALA 84 N 0.0027 0.0025 -0.0082 892 ALA 84 CA 0.0011 0.0064 -0.0095 893 ALA 84 C 0.0061 0.0107 -0.0112 894 ALA 84 O 0.0052 0.0153 -0.0128 895 ALA 84 CB -0.0049 0.0093 -0.0102 896 ALA 84 H 0.0019 0.0038 -0.0086 897 ALA 84 HA 0.0009 0.0038 -0.0085 898 ALA 84 HB1 -0.0059 0.0122 -0.0111 899 ALA 84 HB2 -0.0047 0.0117 -0.0110 900 ALA 84 HB3 -0.0084 0.0061 -0.0089 901 GLU 85 N 0.0128 0.0084 -0.0104 902 GLU 85 CA 0.0171 0.0109 -0.0112 903 GLU 85 C 0.0205 0.0073 -0.0107 904 GLU 85 O 0.0206 0.0065 -0.0105 905 GLU 85 CB 0.0163 0.0151 -0.0121 906 GLU 85 CG 0.0204 0.0185 -0.0131 907 GLU 85 CD 0.0248 0.0169 -0.0131 908 GLU 85 OE1 0.0251 0.0176 -0.0133 909 GLU 85 OE2 0.0281 0.0149 -0.0129 910 GLU 85 H 0.0128 0.0053 -0.0097 911 GLU 85 HA 0.0183 0.0119 -0.0115 912 GLU 85 HB2 0.0131 0.0170 -0.0122 913 GLU 85 HB3 0.0159 0.0139 -0.0118 914 GLU 85 HG2 0.0212 0.0185 -0.0132 915 GLU 85 HG3 0.0191 0.0219 -0.0138 916 ARG 86 N 0.0237 0.0031 -0.0085 917 ARG 86 CA 0.0264 0.0024 -0.0053 918 ARG 86 C 0.0289 0.0025 -0.0032 919 ARG 86 O 0.0279 0.0019 -0.0033 920 ARG 86 CB 0.0247 -0.0008 -0.0032 921 ARG 86 CG 0.0213 -0.0036 -0.0030 922 ARG 86 CD 0.0219 -0.0047 -0.0011 923 ARG 86 NE 0.0185 -0.0072 -0.0013 924 ARG 86 CZ 0.0181 -0.0082 -0.0006 925 ARG 86 NH1 0.0208 -0.0071 0.0006 926 ARG 86 NH2 0.0148 -0.0103 -0.0010 927 ARG 86 H 0.0221 0.0019 -0.0085 928 ARG 86 HA 0.0280 0.0043 -0.0059 929 ARG 86 HB2 0.0266 -0.0015 -0.0006 930 ARG 86 HB3 0.0240 -0.0003 -0.0043 931 ARG 86 HG2 0.0202 -0.0056 -0.0016 932 ARG 86 HG3 0.0193 -0.0029 -0.0056 933 ARG 86 HD2 0.0232 -0.0027 -0.0023 934 ARG 86 HD3 0.0237 -0.0057 0.0015 935 ARG 86 HE 0.0164 -0.0080 -0.0022 936 ARG 86 HH11 0.0233 -0.0055 0.0011 937 ARG 86 HH12 0.0205 -0.0079 0.0012 938 ARG 86 HH21 0.0127 -0.0112 -0.0019 939 ARG 86 HH22 0.0143 -0.0111 -0.0005 940 ALA 87 N 0.0339 0.0019 -0.0018 941 ALA 87 CA 0.0353 0.0021 -0.0003 942 ALA 87 C 0.0343 0.0010 0.0072 943 ALA 87 O 0.0379 0.0014 0.0106 944 ALA 87 CB 0.0425 0.0038 -0.0021 945 ALA 87 H 0.0374 0.0025 -0.0005 946 ALA 87 HA 0.0319 0.0017 -0.0033 947 ALA 87 HB1 0.0458 0.0042 0.0008 948 ALA 87 HB2 0.0432 0.0045 -0.0075 949 ALA 87 HB3 0.0436 0.0039 -0.0009 950 ALA 88 N 0.0267 0.0039 0.0108 951 ALA 88 CA 0.0253 0.0039 0.0160 952 ALA 88 C 0.0197 0.0036 0.0164 953 ALA 88 O 0.0166 0.0035 0.0172 954 ALA 88 CB 0.0270 0.0040 0.0193 955 ALA 88 H 0.0246 0.0038 0.0088 956 ALA 88 HA 0.0272 0.0040 0.0174 957 ALA 88 HB1 0.0251 0.0039 0.0180 958 ALA 88 HB2 0.0311 0.0042 0.0189 959 ALA 88 HB3 0.0260 0.0040 0.0232 960 GLY 89 N 0.0108 0.0080 0.0220 961 GLY 89 CA 0.0020 0.0068 0.0228 962 GLY 89 C -0.0035 0.0065 0.0242 963 GLY 89 O -0.0026 0.0100 0.0294 964 GLY 89 H 0.0126 0.0076 0.0208 965 GLY 89 HA2 0.0008 0.0095 0.0275 966 GLY 89 HA3 0.0003 0.0034 0.0180 967 MET 90 N 0.0007 0.0078 0.0269 968 MET 90 CA -0.0052 0.0071 0.0252 969 MET 90 C -0.0076 0.0130 0.0238 970 MET 90 O -0.0095 0.0164 0.0229 971 MET 90 CB -0.0088 0.0039 0.0244 972 MET 90 CG -0.0148 0.0018 0.0228 973 MET 90 SD -0.0196 0.0075 0.0207 974 MET 90 CE -0.0260 0.0033 0.0192 975 MET 90 H 0.0035 0.0058 0.0280 976 MET 90 HA -0.0053 0.0044 0.0254 977 MET 90 HB2 -0.0066 0.0002 0.0255 978 MET 90 HB3 -0.0091 0.0069 0.0240 979 MET 90 HG2 -0.0145 -0.0012 0.0232 980 MET 90 HG3 -0.0166 -0.0006 0.0225 981 MET 90 HE1 -0.0254 0.0001 0.0197 982 MET 90 HE2 -0.0293 0.0062 0.0178 983 MET 90 HE3 -0.0272 0.0011 0.0190 984 GLY 91 N -0.0118 0.0197 0.0258 985 GLY 91 CA -0.0135 0.0260 0.0233 986 GLY 91 C -0.0163 0.0289 0.0171 987 GLY 91 O -0.0169 0.0350 0.0174 988 GLY 91 H -0.0112 0.0203 0.0273 989 GLY 91 HA2 -0.0139 0.0243 0.0218 990 GLY 91 HA3 -0.0123 0.0304 0.0273 991 SER 92 N -0.0081 0.0320 0.0129 992 SER 92 CA -0.0076 0.0338 0.0101 993 SER 92 C -0.0081 0.0335 0.0052 994 SER 92 O -0.0094 0.0300 0.0035 995 SER 92 CB -0.0083 0.0317 0.0109 996 SER 92 OG -0.0079 0.0321 0.0155 997 SER 92 H -0.0091 0.0289 0.0128 998 SER 92 HA -0.0064 0.0371 0.0108 999 SER 92 HB2 -0.0095 0.0284 0.0102 1000 SER 92 HB3 -0.0079 0.0332 0.0089 1001 SER 92 HG -0.0074 0.0331 0.0170 1002 TYR 93 N -0.0118 0.0444 -0.0025 1003 TYR 93 CA -0.0054 0.0401 0.0014 1004 TYR 93 C -0.0007 0.0426 0.0031 1005 TYR 93 O -0.0035 0.0459 0.0011 1006 TYR 93 CB -0.0078 0.0312 0.0021 1007 TYR 93 CG -0.0018 0.0258 0.0060 1008 TYR 93 CD1 -0.0002 0.0236 0.0072 1009 TYR 93 CD2 0.0022 0.0230 0.0085 1010 TYR 93 CE1 0.0052 0.0188 0.0108 1011 TYR 93 CE2 0.0077 0.0182 0.0121 1012 TYR 93 CZ 0.0091 0.0161 0.0132 1013 TYR 93 OH 0.0146 0.0113 0.0168 1014 TYR 93 H -0.0152 0.0432 -0.0039 1015 TYR 93 HA -0.0026 0.0416 0.0024 1016 TYR 93 HB2 -0.0120 0.0298 0.0004 1017 TYR 93 HB3 -0.0100 0.0297 0.0013 1018 TYR 93 HD1 -0.0034 0.0258 0.0053 1019 TYR 93 HD2 0.0011 0.0246 0.0077 1020 TYR 93 HE1 0.0063 0.0172 0.0117 1021 TYR 93 HE2 0.0108 0.0160 0.0140 1022 TYR 93 HH 0.0188 0.0135 0.0184 1023 VAL 94 N 0.0046 0.0430 0.0082 1024 VAL 94 CA 0.0118 0.0436 0.0145 1025 VAL 94 C 0.0102 0.0329 0.0138 1026 VAL 94 O 0.0113 0.0216 0.0156 1027 VAL 94 CB 0.0222 0.0441 0.0237 1028 VAL 94 CG1 0.0241 0.0328 0.0262 1029 VAL 94 CG2 0.0295 0.0452 0.0301 1030 VAL 94 H 0.0066 0.0418 0.0100 1031 VAL 94 HA 0.0107 0.0523 0.0130 1032 VAL 94 HB 0.0231 0.0525 0.0239 1033 VAL 94 HG11 0.0314 0.0336 0.0325 1034 VAL 94 HG12 0.0231 0.0242 0.0258 1035 VAL 94 HG13 0.0193 0.0327 0.0219 1036 VAL 94 HG21 0.0286 0.0372 0.0298 1037 VAL 94 HG22 0.0366 0.0455 0.0363 1038 VAL 94 HG23 0.0285 0.0538 0.0286