1 ASP 28 N 0.0493 0.0064 -0.0019 2 ASP 28 CA 0.0291 0.0020 -0.0012 3 ASP 28 C 0.0139 -0.0000 -0.0006 4 ASP 28 O 0.0136 0.0130 -0.0011 5 ASP 28 CB 0.0226 0.0190 -0.0017 6 ASP 28 CG 0.0019 0.0155 -0.0009 7 ASP 28 OD1 -0.0004 0.0008 -0.0002 8 ASP 28 OD2 -0.0120 0.0278 -0.0010 9 ASP 28 H 0.0601 0.0081 -0.0023 10 ASP 28 HA 0.0301 -0.0123 -0.0006 11 ASP 28 HB2 0.0335 0.0201 -0.0020 12 ASP 28 HB3 0.0221 0.0333 -0.0023 13 PRO 29 N 0.0186 -0.0034 -0.0024 14 PRO 29 CA -0.0009 0.0003 -0.0099 15 PRO 29 C -0.0155 0.0155 -0.0113 16 PRO 29 O -0.0173 0.0134 -0.0128 17 PRO 29 CB -0.0083 -0.0210 -0.0203 18 PRO 29 CG 0.0098 -0.0363 -0.0174 19 PRO 29 CD 0.0238 -0.0254 -0.0075 20 PRO 29 HA 0.0003 0.0059 -0.0074 21 PRO 29 HB2 -0.0194 -0.0212 -0.0254 22 PRO 29 HB3 -0.0151 -0.0233 -0.0242 23 PRO 29 HG2 0.0056 -0.0495 -0.0237 24 PRO 29 HG3 0.0165 -0.0412 -0.0160 25 PRO 29 HD2 0.0214 -0.0276 -0.0093 26 PRO 29 HD3 0.0391 -0.0310 -0.0026 27 ASN 30 N -0.0155 0.0100 -0.0052 28 ASN 30 CA -0.0184 0.0111 0.0067 29 ASN 30 C -0.0140 0.0204 0.0095 30 ASN 30 O -0.0106 0.0290 0.0145 31 ASN 30 CB -0.0206 0.0116 0.0153 32 ASN 30 CG -0.0236 0.0130 0.0281 33 ASN 30 OD1 -0.0293 0.0053 0.0331 34 ASN 30 ND2 -0.0198 0.0226 0.0336 35 ASN 30 H -0.0181 0.0030 -0.0098 36 ASN 30 HA -0.0226 0.0040 0.0074 37 ASN 30 HB2 -0.0241 0.0043 0.0133 38 ASN 30 HB3 -0.0164 0.0180 0.0132 39 ASN 30 HD21 -0.0152 0.0285 0.0293 40 ASN 30 HD22 -0.0216 0.0237 0.0419 41 ALA 31 N -0.0077 0.0392 0.0042 42 ALA 31 CA -0.0074 0.0390 0.0048 43 ALA 31 C -0.0092 0.0369 0.0043 44 ALA 31 O -0.0104 0.0370 0.0024 45 ALA 31 CB -0.0068 0.0412 0.0035 46 ALA 31 H -0.0090 0.0383 0.0032 47 ALA 31 HA -0.0063 0.0387 0.0067 48 ALA 31 HB1 -0.0065 0.0410 0.0041 49 ALA 31 HB2 -0.0079 0.0415 0.0016 50 ALA 31 HB3 -0.0055 0.0427 0.0039 51 GLU 32 N -0.0086 0.0247 0.0051 52 GLU 32 CA -0.0122 0.0186 0.0037 53 GLU 32 C -0.0167 0.0092 0.0013 54 GLU 32 O -0.0222 0.0036 0.0003 55 GLU 32 CB -0.0037 0.0165 0.0020 56 GLU 32 CG 0.0050 0.0112 -0.0007 57 GLU 32 CD 0.0130 0.0091 -0.0024 58 GLU 32 OE1 0.0123 0.0013 -0.0047 59 GLU 32 OE2 0.0201 0.0151 -0.0014 60 GLU 32 H -0.0014 0.0246 0.0042 61 GLU 32 HA -0.0178 0.0226 0.0056 62 GLU 32 HB2 -0.0067 0.0121 0.0010 63 GLU 32 HB3 -0.0008 0.0234 0.0037 64 GLU 32 HG2 0.0084 0.0157 0.0002 65 GLU 32 HG3 0.0022 0.0045 -0.0025 66 PHE 33 N -0.0124 0.0019 -0.0010 67 PHE 33 CA -0.0143 -0.0011 -0.0026 68 PHE 33 C -0.0191 0.0035 -0.0030 69 PHE 33 O -0.0202 0.0093 -0.0018 70 PHE 33 CB -0.0084 -0.0028 -0.0009 71 PHE 33 CG -0.0045 0.0029 0.0021 72 PHE 33 CD1 -0.0062 0.0073 0.0027 73 PHE 33 CD2 0.0007 0.0040 0.0042 74 PHE 33 CE1 -0.0027 0.0126 0.0054 75 PHE 33 CE2 0.0042 0.0093 0.0069 76 PHE 33 CZ 0.0025 0.0136 0.0075 77 PHE 33 H -0.0094 0.0054 0.0010 78 PHE 33 HA -0.0164 -0.0056 -0.0045 79 PHE 33 HB2 -0.0099 -0.0045 -0.0019 80 PHE 33 HB3 -0.0053 -0.0066 -0.0008 81 PHE 33 HD1 -0.0102 0.0066 0.0010 82 PHE 33 HD2 0.0021 0.0006 0.0038 83 PHE 33 HE1 -0.0040 0.0160 0.0058 84 PHE 33 HE2 0.0083 0.0100 0.0086 85 PHE 33 HZ 0.0052 0.0177 0.0096 86 ASP 34 N -0.0175 -0.0085 -0.0016 87 ASP 34 CA -0.0207 -0.0062 -0.0016 88 ASP 34 C -0.0195 -0.0055 -0.0008 89 ASP 34 O -0.0177 -0.0081 -0.0014 90 ASP 34 CB -0.0242 -0.0081 -0.0039 91 ASP 34 CG -0.0277 -0.0057 -0.0040 92 ASP 34 OD1 -0.0280 -0.0051 -0.0039 93 ASP 34 OD2 -0.0301 -0.0042 -0.0043 94 ASP 34 H -0.0171 -0.0112 -0.0027 95 ASP 34 HA -0.0213 -0.0037 -0.0006 96 ASP 34 HB2 -0.0248 -0.0089 -0.0046 97 ASP 34 HB3 -0.0236 -0.0105 -0.0049 98 PRO 35 N -0.0154 0.0092 -0.0033 99 PRO 35 CA -0.0110 0.0092 -0.0031 100 PRO 35 C -0.0160 0.0049 -0.0045 101 PRO 35 O -0.0129 0.0048 -0.0043 102 PRO 35 CB -0.0100 0.0186 -0.0007 103 PRO 35 CG -0.0181 0.0225 -0.0001 104 PRO 35 CD -0.0202 0.0173 -0.0015 105 PRO 35 HA -0.0046 0.0063 -0.0035 106 PRO 35 HB2 -0.0095 0.0196 -0.0004 107 PRO 35 HB3 -0.0042 0.0210 0.0002 108 PRO 35 HG2 -0.0233 0.0222 -0.0005 109 PRO 35 HG3 -0.0169 0.0290 0.0015 110 PRO 35 HD2 -0.0271 0.0163 -0.0021 111 PRO 35 HD3 -0.0177 0.0204 -0.0007 112 ASP 36 N -0.0276 -0.0080 0.0002 113 ASP 36 CA -0.0331 -0.0145 -0.0006 114 ASP 36 C -0.0319 -0.0182 -0.0059 115 ASP 36 O -0.0342 -0.0240 -0.0096 116 ASP 36 CB -0.0388 -0.0146 0.0058 117 ASP 36 CG -0.0446 -0.0212 0.0051 118 ASP 36 OD1 -0.0473 -0.0244 0.0045 119 ASP 36 OD2 -0.0466 -0.0232 0.0051 120 ASP 36 H -0.0268 -0.0049 0.0027 121 ASP 36 HA -0.0339 -0.0168 -0.0022 122 ASP 36 HB2 -0.0397 -0.0121 0.0093 123 ASP 36 HB3 -0.0379 -0.0120 0.0075 124 LEU 37 N -0.0224 -0.0099 -0.0067 125 LEU 37 CA -0.0212 -0.0084 -0.0105 126 LEU 37 C -0.0223 -0.0082 -0.0096 127 LEU 37 O -0.0215 -0.0105 -0.0065 128 LEU 37 CB -0.0165 -0.0099 -0.0128 129 LEU 37 CG -0.0150 -0.0093 -0.0152 130 LEU 37 CD1 -0.0174 -0.0060 -0.0186 131 LEU 37 CD2 -0.0155 -0.0108 -0.0122 132 LEU 37 H -0.0204 -0.0121 -0.0048 133 LEU 37 HA -0.0231 -0.0061 -0.0126 134 LEU 37 HB2 -0.0147 -0.0123 -0.0104 135 LEU 37 HB3 -0.0156 -0.0091 -0.0151 136 LEU 37 HG -0.0117 -0.0104 -0.0169 137 LEU 37 HD11 -0.0163 -0.0057 -0.0202 138 LEU 37 HD12 -0.0208 -0.0048 -0.0171 139 LEU 37 HD13 -0.0168 -0.0050 -0.0209 140 LEU 37 HD21 -0.0145 -0.0104 -0.0139 141 LEU 37 HD22 -0.0136 -0.0133 -0.0099 142 LEU 37 HD23 -0.0188 -0.0098 -0.0104 143 PRO 38 N -0.0229 -0.0040 -0.0069 144 PRO 38 CA -0.0266 -0.0030 -0.0040 145 PRO 38 C -0.0234 -0.0073 -0.0041 146 PRO 38 O -0.0186 -0.0077 -0.0085 147 PRO 38 CB -0.0282 0.0043 -0.0074 148 PRO 38 CG -0.0272 0.0073 -0.0104 149 PRO 38 CD -0.0223 0.0021 -0.0115 150 PRO 38 HA -0.0303 -0.0039 0.0003 151 PRO 38 HB2 -0.0255 0.0047 -0.0102 152 PRO 38 HB3 -0.0326 0.0065 -0.0046 153 PRO 38 HG2 -0.0261 0.0115 -0.0142 154 PRO 38 HG3 -0.0310 0.0089 -0.0078 155 PRO 38 HD2 -0.0183 0.0022 -0.0155 156 PRO 38 HD3 -0.0228 0.0026 -0.0115 157 GLY 39 N -0.0230 -0.0112 0.0027 158 GLY 39 CA -0.0210 -0.0161 0.0032 159 GLY 39 C -0.0168 -0.0225 0.0022 160 GLY 39 O -0.0134 -0.0262 0.0006 161 GLY 39 H -0.0264 -0.0106 0.0062 162 GLY 39 HA2 -0.0241 -0.0174 0.0075 163 GLY 39 HA3 -0.0193 -0.0139 0.0001 164 GLY 40 N -0.0161 -0.0226 -0.0007 165 GLY 40 CA -0.0156 -0.0237 -0.0012 166 GLY 40 C -0.0161 -0.0249 -0.0062 167 GLY 40 O -0.0155 -0.0264 -0.0072 168 GLY 40 H -0.0176 -0.0197 0.0002 169 GLY 40 HA2 -0.0168 -0.0211 0.0003 170 GLY 40 HA3 -0.0136 -0.0264 0.0008 171 GLY 41 N -0.0140 -0.0181 -0.0130 172 GLY 41 CA -0.0107 -0.0178 -0.0180 173 GLY 41 C -0.0078 -0.0211 -0.0191 174 GLY 41 O -0.0046 -0.0218 -0.0231 175 GLY 41 H -0.0164 -0.0154 -0.0120 176 GLY 41 HA2 -0.0116 -0.0140 -0.0201 177 GLY 41 HA3 -0.0094 -0.0189 -0.0189 178 LEU 42 N -0.0120 -0.0224 -0.0153 179 LEU 42 CA -0.0106 -0.0285 -0.0152 180 LEU 42 C -0.0107 -0.0277 -0.0154 181 LEU 42 O -0.0094 -0.0324 -0.0162 182 LEU 42 CB -0.0114 -0.0324 -0.0090 183 LEU 42 CG -0.0113 -0.0338 -0.0080 184 LEU 42 CD1 -0.0123 -0.0376 -0.0017 185 LEU 42 CD2 -0.0089 -0.0374 -0.0135 186 LEU 42 H -0.0136 -0.0205 -0.0112 187 LEU 42 HA -0.0088 -0.0312 -0.0192 188 LEU 42 HB2 -0.0131 -0.0298 -0.0051 189 LEU 42 HB3 -0.0103 -0.0369 -0.0090 190 LEU 42 HG -0.0125 -0.0292 -0.0079 191 LEU 42 HD11 -0.0122 -0.0386 -0.0011 192 LEU 42 HD12 -0.0112 -0.0421 -0.0016 193 LEU 42 HD13 -0.0140 -0.0348 0.0022 194 LEU 42 HD21 -0.0078 -0.0420 -0.0138 195 LEU 42 HD22 -0.0090 -0.0384 -0.0126 196 LEU 42 HD23 -0.0084 -0.0345 -0.0179 197 HIS 43 N -0.0022 -0.0160 -0.0163 198 HIS 43 CA -0.0030 -0.0115 -0.0194 199 HIS 43 C -0.0030 -0.0033 -0.0274 200 HIS 43 O -0.0083 0.0039 -0.0262 201 HIS 43 CB -0.0097 -0.0083 -0.0119 202 HIS 43 CG -0.0107 -0.0158 -0.0030 203 HIS 43 ND1 -0.0079 -0.0218 -0.0015 204 HIS 43 CD2 -0.0143 -0.0180 0.0049 205 HIS 43 CE1 -0.0097 -0.0274 0.0069 206 HIS 43 NE2 -0.0136 -0.0253 0.0109 207 HIS 43 H -0.0053 -0.0123 -0.0149 208 HIS 43 HA 0.0014 -0.0162 -0.0218 209 HIS 43 HB2 -0.0141 -0.0026 -0.0105 210 HIS 43 HB3 -0.0096 -0.0058 -0.0145 211 HIS 43 HD1 -0.0048 -0.0222 -0.0061 212 HIS 43 HD2 -0.0172 -0.0147 0.0063 213 HIS 43 HE1 -0.0083 -0.0327 0.0099 214 HIS 43 HE2 -0.0148 -0.0292 0.0168 215 ARG 44 N -0.0114 0.0139 -0.0292 216 ARG 44 CA -0.0039 0.0156 -0.0246 217 ARG 44 C -0.0039 0.0249 -0.0203 218 ARG 44 O -0.0076 0.0296 -0.0199 219 ARG 44 CB 0.0034 0.0120 -0.0226 220 ARG 44 CG 0.0037 0.0031 -0.0266 221 ARG 44 CD 0.0108 0.0008 -0.0241 222 ARG 44 NE 0.0113 -0.0075 -0.0277 223 ARG 44 CZ 0.0176 -0.0113 -0.0263 224 ARG 44 NH1 0.0238 -0.0074 -0.0213 225 ARG 44 NH2 0.0177 -0.0190 -0.0298 226 ARG 44 H -0.0133 0.0163 -0.0290 227 ARG 44 HA -0.0028 0.0128 -0.0254 228 ARG 44 HB2 0.0034 0.0162 -0.0207 229 ARG 44 HB3 0.0089 0.0122 -0.0197 230 ARG 44 HG2 0.0046 -0.0011 -0.0281 231 ARG 44 HG3 -0.0021 0.0030 -0.0295 232 ARG 44 HD2 0.0102 0.0054 -0.0222 233 ARG 44 HD3 0.0165 0.0009 -0.0212 234 ARG 44 HE 0.0067 -0.0104 -0.0314 235 ARG 44 HH11 0.0240 -0.0016 -0.0185 236 ARG 44 HH12 0.0286 -0.0101 -0.0202 237 ARG 44 HH21 0.0132 -0.0222 -0.0336 238 ARG 44 HH22 0.0224 -0.0219 -0.0288 239 CYS 45 N 0.0072 0.0264 -0.0148 240 CYS 45 CA 0.0068 0.0294 -0.0091 241 CYS 45 C 0.0072 0.0276 0.0015 242 CYS 45 O 0.0084 0.0191 0.0043 243 CYS 45 CB 0.0076 0.0237 -0.0118 244 CYS 45 SG 0.0074 0.0260 -0.0034 245 CYS 45 H 0.0080 0.0195 -0.0163 246 CYS 45 HA 0.0058 0.0373 -0.0103 247 CYS 45 HB2 0.0071 0.0262 -0.0192 248 CYS 45 HB3 0.0086 0.0160 -0.0124 249 LEU 46 N 0.0092 0.0465 0.0148 250 LEU 46 CA 0.0067 0.0452 0.0427 251 LEU 46 C 0.0025 0.0280 0.0526 252 LEU 46 O -0.0019 0.0134 0.0707 253 LEU 46 CB 0.0110 0.0717 0.0543 254 LEU 46 CG 0.0152 0.0899 0.0469 255 LEU 46 CD1 0.0195 0.1162 0.0578 256 LEU 46 CD2 0.0125 0.0802 0.0556 257 LEU 46 H 0.0131 0.0627 0.0069 258 LEU 46 HA 0.0047 0.0371 0.0480 259 LEU 46 HB2 0.0130 0.0798 0.0487 260 LEU 46 HB3 0.0090 0.0702 0.0749 261 LEU 46 HG 0.0170 0.0904 0.0263 262 LEU 46 HD11 0.0216 0.1234 0.0499 263 LEU 46 HD12 0.0223 0.1286 0.0529 264 LEU 46 HD13 0.0176 0.1152 0.0785 265 LEU 46 HD21 0.0098 0.0623 0.0462 266 LEU 46 HD22 0.0104 0.0779 0.0762 267 LEU 46 HD23 0.0157 0.0938 0.0506 268 ALA 47 N 0.0041 0.0312 0.0338 269 ALA 47 CA -0.0002 0.0217 0.0344 270 ALA 47 C -0.0036 0.0114 0.0326 271 ALA 47 O -0.0084 0.0030 0.0352 272 ALA 47 CB 0.0035 0.0207 0.0267 273 ALA 47 H 0.0088 0.0354 0.0282 274 ALA 47 HA -0.0038 0.0228 0.0421 275 ALA 47 HB1 0.0001 0.0139 0.0276 276 ALA 47 HB2 0.0070 0.0194 0.0189 277 ALA 47 HB3 0.0058 0.0280 0.0280 278 CYS 48 N 0.0057 0.0142 0.0296 279 CYS 48 CA 0.0073 0.0033 0.0269 280 CYS 48 C 0.0078 -0.0004 0.0276 281 CYS 48 O 0.0091 -0.0098 0.0273 282 CYS 48 CB 0.0080 0.0006 0.0161 283 CYS 48 SG 0.0078 0.0023 0.0162 284 CYS 48 H 0.0050 0.0198 0.0253 285 CYS 48 HA 0.0077 -0.0010 0.0329 286 CYS 48 HB2 0.0076 0.0053 0.0092 287 CYS 48 HB3 0.0092 -0.0076 0.0145 288 ALA 49 N 0.0116 0.0075 0.0283 289 ALA 49 CA 0.0132 0.0035 0.0252 290 ALA 49 C 0.0161 -0.0047 0.0114 291 ALA 49 O 0.0191 -0.0122 0.0088 292 ALA 49 CB 0.0168 -0.0041 0.0376 293 ALA 49 H 0.0077 0.0168 0.0293 294 ALA 49 HA 0.0094 0.0124 0.0238 295 ALA 49 HB1 0.0206 -0.0130 0.0391 296 ALA 49 HB2 0.0147 0.0019 0.0471 297 ALA 49 HB3 0.0177 -0.0065 0.0354 298 ARG 50 N 0.0028 0.0061 0.0023 299 ARG 50 CA 0.0089 0.0006 -0.0102 300 ARG 50 C 0.0049 0.0095 -0.0225 301 ARG 50 O -0.0020 0.0193 -0.0217 302 ARG 50 CB 0.0136 -0.0065 -0.0094 303 ARG 50 CG 0.0185 -0.0166 0.0020 304 ARG 50 CD 0.0231 -0.0232 0.0021 305 ARG 50 NE 0.0277 -0.0329 0.0133 306 ARG 50 CZ 0.0317 -0.0395 0.0164 307 ARG 50 NH1 0.0320 -0.0379 0.0086 308 ARG 50 NH2 0.0355 -0.0478 0.0269 309 ARG 50 H -0.0011 0.0108 0.0061 310 ARG 50 HA 0.0131 -0.0052 -0.0115 311 ARG 50 HB2 0.0094 -0.0007 -0.0079 312 ARG 50 HB3 0.0178 -0.0101 -0.0193 313 ARG 50 HG2 0.0229 -0.0226 0.0004 314 ARG 50 HG3 0.0144 -0.0132 0.0120 315 ARG 50 HD2 0.0187 -0.0172 0.0034 316 ARG 50 HD3 0.0273 -0.0268 -0.0079 317 ARG 50 HE 0.0276 -0.0342 0.0188 318 ARG 50 HH11 0.0292 -0.0318 0.0005 319 ARG 50 HH12 0.0349 -0.0427 0.0105 320 ARG 50 HH21 0.0355 -0.0494 0.0329 321 ARG 50 HH22 0.0384 -0.0527 0.0295 322 TYR 51 N -0.0025 0.0101 -0.0257 323 TYR 51 CA -0.0056 0.0063 -0.0250 324 TYR 51 C -0.0102 0.0079 -0.0231 325 TYR 51 O -0.0110 0.0098 -0.0226 326 TYR 51 CB -0.0044 0.0023 -0.0259 327 TYR 51 CG 0.0004 0.0007 -0.0278 328 TYR 51 CD1 0.0039 0.0027 -0.0289 329 TYR 51 CD2 0.0014 -0.0028 -0.0285 330 TYR 51 CE1 0.0082 0.0013 -0.0306 331 TYR 51 CE2 0.0057 -0.0042 -0.0303 332 TYR 51 CZ 0.0091 -0.0021 -0.0313 333 TYR 51 OH 0.0134 -0.0035 -0.0330 334 TYR 51 H -0.0020 0.0107 -0.0259 335 TYR 51 HA -0.0054 0.0052 -0.0252 336 TYR 51 HB2 -0.0048 0.0034 -0.0256 337 TYR 51 HB3 -0.0066 -0.0007 -0.0253 338 TYR 51 HD1 0.0031 0.0054 -0.0283 339 TYR 51 HD2 -0.0013 -0.0043 -0.0277 340 TYR 51 HE1 0.0108 0.0029 -0.0314 341 TYR 51 HE2 0.0064 -0.0069 -0.0308 342 TYR 51 HH 0.0146 -0.0038 -0.0335 343 PHE 52 N -0.0085 0.0064 -0.0195 344 PHE 52 CA -0.0128 0.0077 -0.0187 345 PHE 52 C -0.0148 0.0039 -0.0164 346 PHE 52 O -0.0127 0.0009 -0.0158 347 PHE 52 CB -0.0127 0.0106 -0.0200 348 PHE 52 CG -0.0108 0.0144 -0.0223 349 PHE 52 CD1 -0.0064 0.0144 -0.0237 350 PHE 52 CD2 -0.0133 0.0181 -0.0231 351 PHE 52 CE1 -0.0045 0.0180 -0.0258 352 PHE 52 CE2 -0.0115 0.0216 -0.0252 353 PHE 52 CZ -0.0071 0.0215 -0.0266 354 PHE 52 H -0.0063 0.0052 -0.0197 355 PHE 52 HA -0.0146 0.0093 -0.0188 356 PHE 52 HB2 -0.0110 0.0089 -0.0198 357 PHE 52 HB3 -0.0160 0.0114 -0.0193 358 PHE 52 HD1 -0.0043 0.0116 -0.0231 359 PHE 52 HD2 -0.0167 0.0181 -0.0220 360 PHE 52 HE1 -0.0011 0.0179 -0.0269 361 PHE 52 HE2 -0.0135 0.0244 -0.0258 362 PHE 52 HZ -0.0056 0.0243 -0.0282 363 ILE 53 N -0.0337 0.0116 0.0024 364 ILE 53 CA -0.0396 0.0003 0.0195 365 ILE 53 C -0.0342 -0.0134 0.0253 366 ILE 53 O -0.0326 -0.0276 0.0361 367 ILE 53 CB -0.0567 0.0107 0.0306 368 ILE 53 CG1 -0.0628 0.0217 0.0280 369 ILE 53 CG2 -0.0625 0.0217 0.0277 370 ILE 53 CD1 -0.0795 0.0319 0.0388 371 ILE 53 H -0.0408 0.0239 -0.0001 372 ILE 53 HA -0.0360 -0.0061 0.0210 373 ILE 53 HB -0.0603 0.0014 0.0431 374 ILE 53 HG12 -0.0589 0.0308 0.0153 375 ILE 53 HG13 -0.0585 0.0133 0.0304 376 ILE 53 HG21 -0.0584 0.0305 0.0149 377 ILE 53 HG22 -0.0588 0.0135 0.0305 378 ILE 53 HG23 -0.0745 0.0289 0.0355 379 ILE 53 HD11 -0.0837 0.0231 0.0516 380 ILE 53 HD12 -0.0828 0.0394 0.0360 381 ILE 53 HD13 -0.0840 0.0403 0.0366 382 ASP 54 N -0.0280 -0.0019 0.0143 383 ASP 54 CA -0.0226 -0.0107 0.0182 384 ASP 54 C -0.0144 -0.0103 0.0059 385 ASP 54 O -0.0157 -0.0010 -0.0043 386 ASP 54 CB -0.0318 -0.0082 0.0280 387 ASP 54 CG -0.0272 -0.0175 0.0333 388 ASP 54 OD1 -0.0253 -0.0270 0.0429 389 ASP 54 OD2 -0.0254 -0.0152 0.0279 390 ASP 54 H -0.0291 0.0055 0.0063 391 ASP 54 HA -0.0181 -0.0196 0.0232 392 ASP 54 HB2 -0.0378 -0.0081 0.0363 393 ASP 54 HB3 -0.0362 0.0005 0.0230 394 SER 55 N -0.0103 -0.0130 0.0062 395 SER 55 CA -0.0034 -0.0124 -0.0016 396 SER 55 C -0.0082 -0.0042 -0.0046 397 SER 55 O -0.0046 0.0005 -0.0131 398 SER 55 CB 0.0029 -0.0222 0.0014 399 SER 55 OG 0.0096 -0.0221 -0.0058 400 SER 55 H -0.0106 -0.0189 0.0123 401 SER 55 HA 0.0008 -0.0108 -0.0077 402 SER 55 HB2 0.0067 -0.0274 0.0025 403 SER 55 HB3 -0.0012 -0.0246 0.0080 404 SER 55 HG 0.0070 -0.0202 -0.0049 405 THR 56 N -0.0071 -0.0062 -0.0005 406 THR 56 CA -0.0114 -0.0005 -0.0036 407 THR 56 C -0.0150 0.0066 -0.0093 408 THR 56 O -0.0146 0.0113 -0.0157 409 THR 56 CB -0.0183 -0.0008 0.0034 410 THR 56 OG1 -0.0150 -0.0078 0.0092 411 THR 56 CG2 -0.0221 0.0045 0.0003 412 THR 56 H -0.0093 -0.0091 0.0054 413 THR 56 HA -0.0071 -0.0012 -0.0070 414 THR 56 HB -0.0228 0.0006 0.0061 415 THR 56 HG1 -0.0148 -0.0105 0.0125 416 THR 56 HG21 -0.0269 0.0042 0.0054 417 THR 56 HG22 -0.0174 0.0032 -0.0026 418 THR 56 HG23 -0.0245 0.0097 -0.0040 419 ASN 57 N -0.0191 0.0083 -0.0048 420 ASN 57 CA -0.0225 0.0165 -0.0107 421 ASN 57 C -0.0135 0.0181 -0.0202 422 ASN 57 O -0.0145 0.0261 -0.0279 423 ASN 57 CB -0.0282 0.0158 -0.0049 424 ASN 57 CG -0.0396 0.0187 0.0020 425 ASN 57 OD1 -0.0463 0.0268 -0.0009 426 ASN 57 ND2 -0.0418 0.0121 0.0110 427 ASN 57 H -0.0194 0.0029 0.0012 428 ASN 57 HA -0.0278 0.0225 -0.0124 429 ASN 57 HB2 -0.0243 0.0084 -0.0003 430 ASN 57 HB3 -0.0274 0.0198 -0.0098 431 ASN 57 HD21 -0.0365 0.0055 0.0134 432 ASN 57 HD22 -0.0492 0.0140 0.0154 433 LEU 58 N -0.0065 0.0162 -0.0233 434 LEU 58 CA -0.0028 0.0167 -0.0252 435 LEU 58 C -0.0018 0.0191 -0.0272 436 LEU 58 O -0.0005 0.0215 -0.0294 437 LEU 58 CB -0.0001 0.0133 -0.0240 438 LEU 58 CG 0.0041 0.0132 -0.0256 439 LEU 58 CD1 0.0057 0.0135 -0.0265 440 LEU 58 CD2 0.0050 0.0159 -0.0278 441 LEU 58 H -0.0068 0.0139 -0.0216 442 LEU 58 HA -0.0029 0.0180 -0.0260 443 LEU 58 HB2 -0.0008 0.0121 -0.0229 444 LEU 58 HB3 -0.0006 0.0118 -0.0227 445 LEU 58 HG 0.0057 0.0108 -0.0247 446 LEU 58 HD11 0.0087 0.0134 -0.0277 447 LEU 58 HD12 0.0043 0.0158 -0.0275 448 LEU 58 HD13 0.0053 0.0114 -0.0249 449 LEU 58 HD21 0.0036 0.0183 -0.0289 450 LEU 58 HD22 0.0080 0.0156 -0.0289 451 LEU 58 HD23 0.0039 0.0155 -0.0271 452 LYS 59 N 0.0049 0.0124 -0.0231 453 LYS 59 CA 0.0055 0.0110 -0.0237 454 LYS 59 C 0.0046 0.0135 -0.0234 455 LYS 59 O 0.0049 0.0134 -0.0252 456 LYS 59 CB 0.0061 0.0081 -0.0215 457 LYS 59 CG 0.0053 0.0086 -0.0179 458 LYS 59 CD 0.0060 0.0055 -0.0160 459 LYS 59 CE 0.0067 0.0039 -0.0166 460 LYS 59 NZ 0.0058 0.0057 -0.0155 461 LYS 59 H 0.0049 0.0116 -0.0213 462 LYS 59 HA 0.0061 0.0104 -0.0262 463 LYS 59 HB2 0.0066 0.0071 -0.0222 464 LYS 59 HB3 0.0067 0.0065 -0.0219 465 LYS 59 HG2 0.0048 0.0097 -0.0173 466 LYS 59 HG3 0.0047 0.0101 -0.0174 467 LYS 59 HD2 0.0067 0.0040 -0.0167 468 LYS 59 HD3 0.0054 0.0059 -0.0135 469 LYS 59 HE2 0.0072 0.0036 -0.0191 470 LYS 59 HE3 0.0072 0.0017 -0.0153 471 LYS 59 HZ1 0.0053 0.0060 -0.0130 472 LYS 59 HZ2 0.0063 0.0046 -0.0159 473 LYS 59 HZ3 0.0053 0.0079 -0.0166 474 THR 60 N -0.0009 0.0122 -0.0189 475 THR 60 CA -0.0011 0.0149 -0.0177 476 THR 60 C 0.0013 0.0166 -0.0187 477 THR 60 O 0.0015 0.0189 -0.0180 478 THR 60 CB -0.0022 0.0150 -0.0169 479 THR 60 OG1 -0.0044 0.0134 -0.0160 480 THR 60 CG2 -0.0024 0.0177 -0.0156 481 THR 60 H -0.0013 0.0109 -0.0191 482 THR 60 HA -0.0021 0.0154 -0.0168 483 THR 60 HB -0.0012 0.0143 -0.0179 484 THR 60 HG1 -0.0043 0.0116 -0.0168 485 THR 60 HG21 -0.0032 0.0177 -0.0151 486 THR 60 HG22 -0.0035 0.0184 -0.0147 487 THR 60 HG23 -0.0008 0.0189 -0.0163 488 HIS 61 N 0.0053 0.0183 -0.0237 489 HIS 61 CA 0.0070 0.0166 -0.0199 490 HIS 61 C 0.0059 0.0190 -0.0159 491 HIS 61 O 0.0073 0.0178 -0.0127 492 HIS 61 CB 0.0079 0.0153 -0.0199 493 HIS 61 CG 0.0089 0.0147 -0.0157 494 HIS 61 ND1 0.0111 0.0120 -0.0134 495 HIS 61 CD2 0.0079 0.0167 -0.0132 496 HIS 61 CE1 0.0114 0.0124 -0.0098 497 HIS 61 NE2 0.0095 0.0151 -0.0096 498 HIS 61 H 0.0047 0.0187 -0.0256 499 HIS 61 HA 0.0085 0.0144 -0.0199 500 HIS 61 HB2 0.0092 0.0128 -0.0218 501 HIS 61 HB3 0.0064 0.0172 -0.0213 502 HIS 61 HD1 0.0123 0.0101 -0.0143 503 HIS 61 HD2 0.0062 0.0190 -0.0140 504 HIS 61 HE1 0.0127 0.0110 -0.0070 505 PHE 62 N 0.0180 0.0132 -0.0133 506 PHE 62 CA 0.0158 0.0120 -0.0116 507 PHE 62 C 0.0168 0.0099 -0.0101 508 PHE 62 O 0.0152 0.0087 -0.0087 509 PHE 62 CB 0.0132 0.0134 -0.0120 510 PHE 62 CG 0.0122 0.0156 -0.0136 511 PHE 62 CD1 0.0114 0.0158 -0.0135 512 PHE 62 CD2 0.0120 0.0175 -0.0151 513 PHE 62 CE1 0.0104 0.0179 -0.0150 514 PHE 62 CE2 0.0110 0.0195 -0.0166 515 PHE 62 CZ 0.0103 0.0198 -0.0165 516 PHE 62 H 0.0183 0.0144 -0.0144 517 PHE 62 HA 0.0151 0.0115 -0.0109 518 PHE 62 HB2 0.0137 0.0136 -0.0123 519 PHE 62 HB3 0.0116 0.0124 -0.0107 520 PHE 62 HD1 0.0115 0.0143 -0.0123 521 PHE 62 HD2 0.0126 0.0173 -0.0151 522 PHE 62 HE1 0.0098 0.0180 -0.0149 523 PHE 62 HE2 0.0109 0.0210 -0.0178 524 PHE 62 HZ 0.0096 0.0215 -0.0177 525 ARG 63 N 0.0146 0.0053 -0.0056 526 ARG 63 CA 0.0142 0.0060 -0.0020 527 ARG 63 C 0.0174 0.0059 0.0018 528 ARG 63 O 0.0178 0.0064 0.0051 529 ARG 63 CB 0.0148 0.0056 -0.0036 530 ARG 63 CG 0.0111 0.0059 -0.0067 531 ARG 63 CD 0.0117 0.0055 -0.0082 532 ARG 63 NE 0.0121 0.0060 -0.0045 533 ARG 63 CZ 0.0120 0.0060 -0.0049 534 ARG 63 NH1 0.0112 0.0055 -0.0089 535 ARG 63 NH2 0.0125 0.0064 -0.0014 536 ARG 63 H 0.0160 0.0046 -0.0083 537 ARG 63 HA 0.0110 0.0068 -0.0007 538 ARG 63 HB2 0.0178 0.0047 -0.0053 539 ARG 63 HB3 0.0148 0.0060 -0.0007 540 ARG 63 HG2 0.0080 0.0067 -0.0049 541 ARG 63 HG3 0.0109 0.0055 -0.0095 542 ARG 63 HD2 0.0089 0.0057 -0.0103 543 ARG 63 HD3 0.0146 0.0046 -0.0101 544 ARG 63 HE 0.0125 0.0064 -0.0016 545 ARG 63 HH11 0.0107 0.0052 -0.0116 546 ARG 63 HH12 0.0111 0.0054 -0.0093 547 ARG 63 HH21 0.0130 0.0068 0.0016 548 ARG 63 HH22 0.0125 0.0064 -0.0015 549 SER 64 N 0.0195 0.0048 -0.0008 550 SER 64 CA 0.0181 0.0034 -0.0008 551 SER 64 C 0.0163 0.0018 -0.0009 552 SER 64 O 0.0145 0.0027 -0.0013 553 SER 64 CB 0.0167 0.0051 -0.0012 554 SER 64 OG 0.0182 0.0071 -0.0013 555 SER 64 H 0.0189 0.0065 -0.0011 556 SER 64 HA 0.0193 0.0023 -0.0004 557 SER 64 HB2 0.0152 0.0059 -0.0016 558 SER 64 HB3 0.0160 0.0041 -0.0012 559 SER 64 HG 0.0193 0.0064 -0.0010 560 LYS 65 N 0.0205 -0.0034 -0.0037 561 LYS 65 CA 0.0207 -0.0064 -0.0060 562 LYS 65 C 0.0144 -0.0069 -0.0067 563 LYS 65 O 0.0141 -0.0072 -0.0069 564 LYS 65 CB 0.0244 -0.0115 -0.0097 565 LYS 65 CG 0.0223 -0.0148 -0.0123 566 LYS 65 CD 0.0157 -0.0167 -0.0141 567 LYS 65 CE 0.0140 -0.0198 -0.0166 568 LYS 65 NZ 0.0075 -0.0215 -0.0181 569 LYS 65 H 0.0218 -0.0049 -0.0048 570 LYS 65 HA 0.0234 -0.0042 -0.0042 571 LYS 65 HB2 0.0238 -0.0137 -0.0114 572 LYS 65 HB3 0.0293 -0.0108 -0.0090 573 LYS 65 HG2 0.0255 -0.0180 -0.0146 574 LYS 65 HG3 0.0227 -0.0127 -0.0107 575 LYS 65 HD2 0.0125 -0.0135 -0.0118 576 LYS 65 HD3 0.0155 -0.0189 -0.0158 577 LYS 65 HE2 0.0170 -0.0231 -0.0189 578 LYS 65 HE3 0.0147 -0.0177 -0.0149 579 LYS 65 HZ1 0.0066 -0.0235 -0.0197 580 LYS 65 HZ2 0.0043 -0.0185 -0.0160 581 LYS 65 HZ3 0.0065 -0.0237 -0.0199 582 ASP 66 N 0.0144 -0.0089 -0.0090 583 ASP 66 CA 0.0088 -0.0095 -0.0099 584 ASP 66 C 0.0077 -0.0060 -0.0049 585 ASP 66 O 0.0054 -0.0063 -0.0053 586 ASP 66 CB 0.0025 -0.0104 -0.0113 587 ASP 66 CG -0.0031 -0.0117 -0.0134 588 ASP 66 OD1 -0.0036 -0.0152 -0.0184 589 ASP 66 OD2 -0.0072 -0.0094 -0.0101 590 ASP 66 H 0.0135 -0.0085 -0.0085 591 ASP 66 HA 0.0101 -0.0119 -0.0134 592 ASP 66 HB2 0.0038 -0.0125 -0.0144 593 ASP 66 HB3 0.0010 -0.0078 -0.0077 594 HIS 67 N 0.0108 -0.0013 -0.0025 595 HIS 67 CA 0.0099 0.0015 0.0001 596 HIS 67 C 0.0109 0.0036 0.0008 597 HIS 67 O 0.0091 0.0045 0.0027 598 HIS 67 CB 0.0115 0.0033 0.0002 599 HIS 67 CG 0.0107 0.0060 0.0027 600 HIS 67 ND1 0.0078 0.0061 0.0049 601 HIS 67 CD2 0.0120 0.0081 0.0032 602 HIS 67 CE1 0.0073 0.0082 0.0066 603 HIS 67 NE2 0.0098 0.0094 0.0057 604 HIS 67 H 0.0122 -0.0017 -0.0038 605 HIS 67 HA 0.0075 0.0009 0.0014 606 HIS 67 HB2 0.0108 0.0020 -0.0002 607 HIS 67 HB3 0.0139 0.0041 -0.0010 608 HIS 67 HD1 0.0062 0.0049 0.0051 609 HIS 67 HD2 0.0145 0.0088 0.0019 610 HIS 67 HE1 0.0053 0.0089 0.0085 611 LYS 68 N 0.0175 0.0012 -0.0016 612 LYS 68 CA 0.0165 0.0009 -0.0017 613 LYS 68 C 0.0159 0.0004 -0.0012 614 LYS 68 O 0.0150 0.0003 -0.0015 615 LYS 68 CB 0.0165 0.0007 -0.0014 616 LYS 68 CG 0.0172 0.0012 -0.0019 617 LYS 68 CD 0.0171 0.0010 -0.0015 618 LYS 68 CE 0.0175 0.0006 -0.0004 619 LYS 68 NZ 0.0176 0.0004 -0.0001 620 LYS 68 H 0.0180 0.0011 -0.0012 621 LYS 68 HA 0.0162 0.0012 -0.0025 622 LYS 68 HB2 0.0167 0.0004 -0.0007 623 LYS 68 HB3 0.0157 0.0005 -0.0016 624 LYS 68 HG2 0.0171 0.0016 -0.0026 625 LYS 68 HG3 0.0179 0.0014 -0.0017 626 LYS 68 HD2 0.0164 0.0008 -0.0016 627 LYS 68 HD3 0.0176 0.0013 -0.0018 628 LYS 68 HE2 0.0183 0.0007 -0.0003 629 LYS 68 HE3 0.0170 0.0002 -0.0001 630 LYS 68 HZ1 0.0168 0.0002 -0.0002 631 LYS 68 HZ2 0.0178 0.0001 0.0006 632 LYS 68 HZ3 0.0180 0.0007 -0.0004 633 LYS 69 N 0.0214 -0.0024 -0.0007 634 LYS 69 CA 0.0190 -0.0055 -0.0048 635 LYS 69 C 0.0131 -0.0045 0.0004 636 LYS 69 O 0.0140 -0.0042 0.0005 637 LYS 69 CB 0.0149 -0.0103 -0.0110 638 LYS 69 CG 0.0097 -0.0141 -0.0148 639 LYS 69 CD 0.0055 -0.0184 -0.0200 640 LYS 69 CE -0.0004 -0.0225 -0.0240 641 LYS 69 NZ -0.0044 -0.0264 -0.0286 642 LYS 69 H 0.0204 -0.0038 -0.0026 643 LYS 69 HA 0.0243 -0.0051 -0.0072 644 LYS 69 HB2 0.0195 -0.0112 -0.0153 645 LYS 69 HB3 0.0111 -0.0102 -0.0086 646 LYS 69 HG2 0.0054 -0.0130 -0.0103 647 LYS 69 HG3 0.0135 -0.0145 -0.0178 648 LYS 69 HD2 0.0102 -0.0192 -0.0242 649 LYS 69 HD3 0.0023 -0.0176 -0.0168 650 LYS 69 HE2 -0.0049 -0.0217 -0.0199 651 LYS 69 HE3 0.0028 -0.0235 -0.0277 652 LYS 69 HZ1 -0.0087 -0.0294 -0.0314 653 LYS 69 HZ2 -0.0073 -0.0254 -0.0251 654 LYS 69 HZ3 -0.0001 -0.0271 -0.0325 655 ARG 70 N 0.0103 -0.0043 -0.0017 656 ARG 70 CA 0.0070 -0.0038 0.0010 657 ARG 70 C 0.0088 -0.0008 0.0040 658 ARG 70 O 0.0073 -0.0003 0.0056 659 ARG 70 CB 0.0037 -0.0041 0.0026 660 ARG 70 CG -0.0000 -0.0038 0.0052 661 ARG 70 CD -0.0021 -0.0060 0.0034 662 ARG 70 NE -0.0056 -0.0057 0.0058 663 ARG 70 CZ -0.0068 -0.0065 0.0056 664 ARG 70 NH1 -0.0048 -0.0075 0.0029 665 ARG 70 NH2 -0.0100 -0.0061 0.0080 666 ARG 70 H 0.0104 -0.0045 -0.0020 667 ARG 70 HA 0.0057 -0.0053 -0.0003 668 ARG 70 HB2 0.0028 -0.0060 0.0004 669 ARG 70 HB3 0.0051 -0.0024 0.0040 670 ARG 70 HG2 -0.0022 -0.0041 0.0061 671 ARG 70 HG3 0.0009 -0.0017 0.0075 672 ARG 70 HD2 0.0002 -0.0058 0.0024 673 ARG 70 HD3 -0.0031 -0.0081 0.0011 674 ARG 70 HE -0.0071 -0.0050 0.0078 675 ARG 70 HH11 -0.0023 -0.0078 0.0010 676 ARG 70 HH12 -0.0056 -0.0081 0.0027 677 ARG 70 HH21 -0.0116 -0.0054 0.0100 678 ARG 70 HH22 -0.0111 -0.0066 0.0079 679 LEU 71 N 0.0116 0.0012 0.0024 680 LEU 71 CA 0.0126 0.0035 0.0039 681 LEU 71 C 0.0134 0.0031 0.0034 682 LEU 71 O 0.0128 0.0044 0.0047 683 LEU 71 CB 0.0152 0.0049 0.0042 684 LEU 71 CG 0.0148 0.0054 0.0048 685 LEU 71 CD1 0.0176 0.0070 0.0051 686 LEU 71 CD2 0.0123 0.0066 0.0066 687 LEU 71 H 0.0129 0.0008 0.0016 688 LEU 71 HA 0.0109 0.0045 0.0054 689 LEU 71 HB2 0.0169 0.0040 0.0028 690 LEU 71 HB3 0.0159 0.0066 0.0053 691 LEU 71 HG 0.0144 0.0038 0.0035 692 LEU 71 HD11 0.0181 0.0087 0.0063 693 LEU 71 HD12 0.0194 0.0061 0.0037 694 LEU 71 HD13 0.0173 0.0073 0.0054 695 LEU 71 HD21 0.0103 0.0054 0.0064 696 LEU 71 HD22 0.0126 0.0082 0.0079 697 LEU 71 HD23 0.0121 0.0069 0.0070 698 LYS 72 N 0.0172 -0.0007 -0.0004 699 LYS 72 CA 0.0156 -0.0008 0.0007 700 LYS 72 C 0.0176 -0.0001 0.0004 701 LYS 72 O 0.0167 -0.0009 -0.0003 702 LYS 72 CB 0.0142 0.0004 0.0038 703 LYS 72 CG 0.0123 0.0005 0.0053 704 LYS 72 CD 0.0109 0.0016 0.0083 705 LYS 72 CE 0.0090 0.0016 0.0097 706 LYS 72 NZ 0.0075 0.0026 0.0126 707 LYS 72 H 0.0174 0.0001 0.0008 708 LYS 72 HA 0.0138 -0.0022 -0.0004 709 LYS 72 HB2 0.0128 -0.0000 0.0040 710 LYS 72 HB3 0.0160 0.0018 0.0050 711 LYS 72 HG2 0.0137 0.0011 0.0053 712 LYS 72 HG3 0.0106 -0.0009 0.0041 713 LYS 72 HD2 0.0095 0.0010 0.0083 714 LYS 72 HD3 0.0126 0.0030 0.0094 715 LYS 72 HE2 0.0104 0.0022 0.0098 716 LYS 72 HE3 0.0073 0.0002 0.0085 717 LYS 72 HZ1 0.0090 0.0040 0.0138 718 LYS 72 HZ2 0.0061 0.0020 0.0126 719 LYS 72 HZ3 0.0062 0.0026 0.0135 720 GLN 73 N 0.0131 -0.0006 0.0025 721 GLN 73 CA 0.0103 -0.0017 0.0034 722 GLN 73 C 0.0088 0.0002 0.0069 723 GLN 73 O 0.0079 0.0006 0.0081 724 GLN 73 CB 0.0076 -0.0045 0.0022 725 GLN 73 CG 0.0088 -0.0066 -0.0013 726 GLN 73 CD 0.0062 -0.0093 -0.0024 727 GLN 73 OE1 0.0041 -0.0095 -0.0008 728 GLN 73 NE2 0.0062 -0.0115 -0.0050 729 GLN 73 H 0.0129 -0.0014 0.0016 730 GLN 73 HA 0.0111 -0.0019 0.0024 731 GLN 73 HB2 0.0068 -0.0043 0.0031 732 GLN 73 HB3 0.0056 -0.0053 0.0030 733 GLN 73 HG2 0.0095 -0.0070 -0.0022 734 GLN 73 HG3 0.0109 -0.0058 -0.0021 735 GLN 73 HE21 0.0079 -0.0113 -0.0061 736 GLN 73 HE22 0.0046 -0.0133 -0.0059 737 LEU 74 N 0.0080 -0.0005 0.0030 738 LEU 74 CA 0.0062 0.0016 0.0062 739 LEU 74 C 0.0097 0.0028 0.0081 740 LEU 74 O 0.0087 0.0044 0.0104 741 LEU 74 CB 0.0043 0.0034 0.0087 742 LEU 74 CG 0.0019 0.0057 0.0121 743 LEU 74 CD1 -0.0019 0.0050 0.0109 744 LEU 74 CD2 0.0002 0.0072 0.0143 745 LEU 74 H 0.0087 -0.0005 0.0032 746 LEU 74 HA 0.0037 0.0011 0.0052 747 LEU 74 HB2 0.0022 0.0024 0.0072 748 LEU 74 HB3 0.0071 0.0039 0.0096 749 LEU 74 HG 0.0041 0.0067 0.0137 750 LEU 74 HD11 -0.0036 0.0066 0.0133 751 LEU 74 HD12 -0.0042 0.0039 0.0092 752 LEU 74 HD13 -0.0007 0.0040 0.0094 753 LEU 74 HD21 -0.0020 0.0062 0.0127 754 LEU 74 HD22 -0.0015 0.0088 0.0166 755 LEU 74 HD23 0.0029 0.0077 0.0152 756 SER 75 N 0.0143 0.0002 0.0035 757 SER 75 CA 0.0163 -0.0022 0.0043 758 SER 75 C 0.0160 -0.0030 0.0074 759 SER 75 O 0.0174 -0.0049 0.0083 760 SER 75 CB 0.0180 -0.0033 0.0021 761 SER 75 OG 0.0200 -0.0056 0.0028 762 SER 75 H 0.0136 0.0009 0.0035 763 SER 75 HA 0.0167 -0.0028 0.0045 764 SER 75 HB2 0.0182 -0.0027 0.0000 765 SER 75 HB3 0.0175 -0.0027 0.0019 766 SER 75 HG 0.0210 -0.0061 0.0010 767 VAL 76 N 0.0114 0.0023 0.0067 768 VAL 76 CA 0.0127 0.0051 0.0097 769 VAL 76 C 0.0165 0.0037 0.0114 770 VAL 76 O 0.0174 0.0045 0.0127 771 VAL 76 CB 0.0123 0.0073 0.0110 772 VAL 76 CG1 0.0137 0.0102 0.0142 773 VAL 76 CG2 0.0085 0.0088 0.0094 774 VAL 76 H 0.0106 0.0019 0.0058 775 VAL 76 HA 0.0112 0.0067 0.0098 776 VAL 76 HB 0.0137 0.0057 0.0109 777 VAL 76 HG11 0.0133 0.0117 0.0151 778 VAL 76 HG12 0.0123 0.0118 0.0144 779 VAL 76 HG13 0.0163 0.0091 0.0154 780 VAL 76 HG21 0.0083 0.0103 0.0103 781 VAL 76 HG22 0.0076 0.0067 0.0072 782 VAL 76 HG23 0.0070 0.0104 0.0095 783 GLU 77 N 0.0126 0.0014 0.0030 784 GLU 77 CA 0.0143 0.0007 0.0037 785 GLU 77 C 0.0148 -0.0022 0.0040 786 GLU 77 O 0.0163 -0.0031 0.0046 787 GLU 77 CB 0.0167 0.0024 0.0045 788 GLU 77 CG 0.0180 0.0025 0.0050 789 GLU 77 CD 0.0203 0.0041 0.0058 790 GLU 77 OE1 0.0203 0.0065 0.0057 791 GLU 77 OE2 0.0223 0.0029 0.0066 792 GLU 77 H 0.0128 0.0005 0.0031 793 GLU 77 HA 0.0134 0.0011 0.0033 794 GLU 77 HB2 0.0179 0.0015 0.0050 795 GLU 77 HB3 0.0163 0.0044 0.0043 796 GLU 77 HG2 0.0168 0.0034 0.0045 797 GLU 77 HG3 0.0183 0.0005 0.0052 798 PRO 78 N 0.0101 -0.0145 0.0051 799 PRO 78 CA 0.0092 -0.0144 0.0068 800 PRO 78 C 0.0071 -0.0157 0.0096 801 PRO 78 O 0.0061 -0.0183 0.0094 802 PRO 78 CB 0.0094 -0.0165 0.0048 803 PRO 78 CG 0.0109 -0.0169 0.0018 804 PRO 78 CD 0.0108 -0.0166 0.0022 805 PRO 78 HA 0.0099 -0.0121 0.0075 806 PRO 78 HB2 0.0080 -0.0187 0.0055 807 PRO 78 HB3 0.0098 -0.0155 0.0049 808 PRO 78 HG2 0.0106 -0.0191 0.0005 809 PRO 78 HG3 0.0123 -0.0150 0.0007 810 PRO 78 HD2 0.0097 -0.0189 0.0023 811 PRO 78 HD3 0.0121 -0.0156 0.0005 812 TYR 79 N 0.0004 -0.0149 0.0107 813 TYR 79 CA -0.0016 -0.0161 0.0154 814 TYR 79 C 0.0037 -0.0133 0.0102 815 TYR 79 O 0.0006 -0.0143 0.0024 816 TYR 79 CB -0.0121 -0.0210 0.0159 817 TYR 79 CG -0.0172 -0.0238 0.0224 818 TYR 79 CD1 -0.0210 -0.0253 0.0183 819 TYR 79 CD2 -0.0182 -0.0249 0.0328 820 TYR 79 CE1 -0.0256 -0.0278 0.0242 821 TYR 79 CE2 -0.0228 -0.0274 0.0388 822 TYR 79 CZ -0.0264 -0.0288 0.0345 823 TYR 79 OH -0.0310 -0.0313 0.0405 824 TYR 79 H 0.0041 -0.0134 0.0147 825 TYR 79 HA 0.0013 -0.0152 0.0231 826 TYR 79 HB2 -0.0151 -0.0220 0.0083 827 TYR 79 HB3 -0.0129 -0.0216 0.0192 828 TYR 79 HD1 -0.0203 -0.0245 0.0102 829 TYR 79 HD2 -0.0153 -0.0237 0.0361 830 TYR 79 HE1 -0.0285 -0.0289 0.0208 831 TYR 79 HE2 -0.0235 -0.0282 0.0469 832 TYR 79 HH -0.0270 -0.0298 0.0465 833 SER 80 N 0.0074 -0.0110 0.0032 834 SER 80 CA 0.0101 -0.0088 0.0019 835 SER 80 C 0.0100 -0.0090 0.0061 836 SER 80 O 0.0072 -0.0113 0.0093 837 SER 80 CB 0.0145 -0.0055 0.0016 838 SER 80 OG 0.0174 -0.0031 -0.0001 839 SER 80 H 0.0082 -0.0104 0.0059 840 SER 80 HA 0.0093 -0.0093 -0.0018 841 SER 80 HB2 0.0144 -0.0054 -0.0012 842 SER 80 HB3 0.0154 -0.0049 0.0053 843 SER 80 HG 0.0170 -0.0033 -0.0038 844 GLN 81 N 0.0038 -0.0066 -0.0031 845 GLN 81 CA 0.0043 -0.0065 -0.0019 846 GLN 81 C 0.0055 -0.0067 0.0033 847 GLN 81 O 0.0077 -0.0064 0.0053 848 GLN 81 CB 0.0080 -0.0056 -0.0048 849 GLN 81 CG 0.0081 -0.0056 -0.0042 850 GLN 81 CD 0.0120 -0.0047 -0.0067 851 GLN 81 OE1 0.0158 -0.0040 -0.0073 852 GLN 81 NE2 0.0112 -0.0048 -0.0081 853 GLN 81 H 0.0061 -0.0060 -0.0050 854 GLN 81 HA 0.0010 -0.0071 -0.0026 855 GLN 81 HB2 0.0074 -0.0055 -0.0085 856 GLN 81 HB3 0.0113 -0.0051 -0.0037 857 GLN 81 HG2 0.0085 -0.0058 -0.0005 858 GLN 81 HG3 0.0049 -0.0062 -0.0055 859 GLN 81 HE21 0.0081 -0.0054 -0.0076 860 GLN 81 HE22 0.0137 -0.0042 -0.0097 861 GLU 82 N 0.0071 -0.0189 0.0094 862 GLU 82 CA 0.0088 -0.0218 0.0134 863 GLU 82 C 0.0047 -0.0248 0.0152 864 GLU 82 O 0.0051 -0.0275 0.0185 865 GLU 82 CB 0.0123 -0.0218 0.0146 866 GLU 82 CG 0.0143 -0.0247 0.0186 867 GLU 82 CD 0.0179 -0.0243 0.0195 868 GLU 82 OE1 0.0167 -0.0248 0.0196 869 GLU 82 OE2 0.0220 -0.0236 0.0202 870 GLU 82 H 0.0071 -0.0178 0.0082 871 GLU 82 HA 0.0103 -0.0218 0.0139 872 GLU 82 HB2 0.0151 -0.0197 0.0132 873 GLU 82 HB3 0.0107 -0.0216 0.0138 874 GLU 82 HG2 0.0116 -0.0268 0.0201 875 GLU 82 HG3 0.0159 -0.0249 0.0195 876 GLU 83 N -0.0009 -0.0207 0.0223 877 GLU 83 CA -0.0078 -0.0203 0.0273 878 GLU 83 C -0.0166 -0.0201 0.0221 879 GLU 83 O -0.0232 -0.0198 0.0252 880 GLU 83 CB -0.0048 -0.0203 0.0296 881 GLU 83 CG -0.0116 -0.0199 0.0349 882 GLU 83 CD -0.0079 -0.0200 0.0379 883 GLU 83 OE1 -0.0073 -0.0202 0.0324 884 GLU 83 OE2 -0.0055 -0.0198 0.0458 885 GLU 83 H 0.0002 -0.0209 0.0161 886 GLU 83 HA -0.0087 -0.0201 0.0335 887 GLU 83 HB2 0.0013 -0.0204 0.0335 888 GLU 83 HB3 -0.0034 -0.0206 0.0235 889 GLU 83 HG2 -0.0175 -0.0198 0.0308 890 GLU 83 HG3 -0.0135 -0.0197 0.0408 891 ALA 84 N -0.0125 -0.0201 0.0178 892 ALA 84 CA -0.0189 -0.0201 0.0133 893 ALA 84 C -0.0168 -0.0187 0.0089 894 ALA 84 O -0.0204 -0.0179 0.0034 895 ALA 84 CB -0.0218 -0.0194 0.0086 896 ALA 84 H -0.0089 -0.0190 0.0155 897 ALA 84 HA -0.0230 -0.0216 0.0170 898 ALA 84 HB1 -0.0264 -0.0193 0.0053 899 ALA 84 HB2 -0.0175 -0.0179 0.0052 900 ALA 84 HB3 -0.0236 -0.0205 0.0120 901 GLU 85 N -0.0109 -0.0190 0.0110 902 GLU 85 CA -0.0100 -0.0193 0.0077 903 GLU 85 C -0.0066 -0.0192 0.0116 904 GLU 85 O -0.0015 -0.0194 0.0122 905 GLU 85 CB -0.0066 -0.0200 0.0023 906 GLU 85 CG -0.0063 -0.0204 -0.0021 907 GLU 85 CD -0.0024 -0.0204 -0.0007 908 GLU 85 OE1 0.0028 -0.0208 -0.0019 909 GLU 85 OE2 -0.0044 -0.0201 0.0016 910 GLU 85 H -0.0090 -0.0188 0.0147 911 GLU 85 HA -0.0140 -0.0192 0.0066 912 GLU 85 HB2 -0.0086 -0.0200 0.0004 913 GLU 85 HB3 -0.0023 -0.0201 0.0036 914 GLU 85 HG2 -0.0107 -0.0201 -0.0018 915 GLU 85 HG3 -0.0054 -0.0207 -0.0062 916 ARG 86 N -0.0036 -0.0198 0.0261 917 ARG 86 CA -0.0055 -0.0242 0.0186 918 ARG 86 C -0.0027 -0.0237 0.0135 919 ARG 86 O 0.0026 -0.0191 0.0136 920 ARG 86 CB -0.0044 -0.0249 0.0142 921 ARG 86 CG 0.0020 -0.0195 0.0139 922 ARG 86 CD 0.0078 -0.0162 0.0093 923 ARG 86 NE 0.0137 -0.0109 0.0099 924 ARG 86 CZ 0.0196 -0.0066 0.0079 925 ARG 86 NH1 0.0204 -0.0070 0.0047 926 ARG 86 NH2 0.0245 -0.0019 0.0090 927 ARG 86 H 0.0010 -0.0159 0.0261 928 ARG 86 HA -0.0106 -0.0280 0.0202 929 ARG 86 HB2 -0.0048 -0.0275 0.0082 930 ARG 86 HB3 -0.0082 -0.0271 0.0170 931 ARG 86 HG2 0.0020 -0.0205 0.0111 932 ARG 86 HG3 0.0025 -0.0168 0.0199 933 ARG 86 HD2 0.0076 -0.0154 0.0117 934 ARG 86 HD3 0.0075 -0.0186 0.0032 935 ARG 86 HE 0.0133 -0.0105 0.0121 936 ARG 86 HH11 0.0168 -0.0105 0.0036 937 ARG 86 HH12 0.0247 -0.0039 0.0031 938 ARG 86 HH21 0.0241 -0.0014 0.0114 939 ARG 86 HH22 0.0290 0.0014 0.0076 940 ALA 87 N -0.0070 -0.0241 0.0127 941 ALA 87 CA -0.0107 -0.0244 0.0092 942 ALA 87 C -0.0105 -0.0207 0.0012 943 ALA 87 O -0.0155 -0.0212 -0.0034 944 ALA 87 CB -0.0182 -0.0288 0.0104 945 ALA 87 H -0.0095 -0.0251 0.0122 946 ALA 87 HA -0.0081 -0.0241 0.0114 947 ALA 87 HB1 -0.0207 -0.0291 0.0083 948 ALA 87 HB2 -0.0183 -0.0314 0.0160 949 ALA 87 HB3 -0.0210 -0.0290 0.0076 950 ALA 88 N -0.0076 -0.0220 -0.0019 951 ALA 88 CA -0.0062 -0.0175 -0.0104 952 ALA 88 C 0.0010 -0.0086 -0.0123 953 ALA 88 O 0.0068 -0.0035 -0.0082 954 ALA 88 CB -0.0064 -0.0184 -0.0084 955 ALA 88 H -0.0036 -0.0197 0.0044 956 ALA 88 HA -0.0105 -0.0200 -0.0173 957 ALA 88 HB1 -0.0021 -0.0159 -0.0016 958 ALA 88 HB2 -0.0116 -0.0248 -0.0070 959 ALA 88 HB3 -0.0055 -0.0151 -0.0151 960 GLY 89 N -0.0051 0.0039 -0.0262 961 GLY 89 CA 0.0118 0.0075 -0.0283 962 GLY 89 C -0.0002 0.0071 -0.0307 963 GLY 89 O -0.0153 0.0131 -0.0450 964 GLY 89 H -0.0211 -0.0005 -0.0223 965 GLY 89 HA2 0.0214 0.0164 -0.0419 966 GLY 89 HA3 0.0239 0.0015 -0.0148 967 MET 90 N 0.0415 0.0161 -0.0394 968 MET 90 CA 0.0276 0.0121 -0.0259 969 MET 90 C 0.0243 0.0181 -0.0257 970 MET 90 O 0.0175 0.0337 -0.0270 971 MET 90 CB 0.0142 0.0203 -0.0183 972 MET 90 CG -0.0002 0.0140 -0.0033 973 MET 90 SD -0.0093 0.0193 0.0020 974 MET 90 CE -0.0257 0.0116 0.0194 975 MET 90 H 0.0498 0.0059 -0.0419 976 MET 90 HA 0.0298 -0.0023 -0.0213 977 MET 90 HB2 0.0179 0.0172 -0.0200 978 MET 90 HB3 0.0114 0.0347 -0.0222 979 MET 90 HG2 0.0026 -0.0003 0.0007 980 MET 90 HG3 -0.0081 0.0200 0.0007 981 MET 90 HE1 -0.0225 -0.0026 0.0229 982 MET 90 HE2 -0.0324 0.0140 0.0239 983 MET 90 HE3 -0.0321 0.0186 0.0216 984 GLY 91 N -0.0263 0.0049 -0.0022 985 GLY 91 CA -0.0342 -0.0076 0.0173 986 GLY 91 C -0.0362 -0.0021 0.0081 987 GLY 91 O -0.0595 -0.0024 0.0059 988 GLY 91 H -0.0386 0.0132 -0.0173 989 GLY 91 HA2 -0.0182 -0.0155 0.0322 990 GLY 91 HA3 -0.0550 -0.0131 0.0238 991 SER 92 N 0.0038 0.0032 0.0031 992 SER 92 CA 0.0066 0.0029 0.0063 993 SER 92 C 0.0105 0.0009 0.0113 994 SER 92 O 0.0128 0.0039 0.0130 995 SER 92 CB 0.0078 0.0090 0.0058 996 SER 92 OG 0.0040 0.0108 0.0011 997 SER 92 H 0.0047 0.0061 0.0033 998 SER 92 HA 0.0051 -0.0003 0.0055 999 SER 92 HB2 0.0093 0.0123 0.0066 1000 SER 92 HB3 0.0097 0.0088 0.0081 1001 SER 92 HG 0.0018 0.0080 -0.0006 1002 TYR 93 N 0.0118 -0.0022 0.0217 1003 TYR 93 CA 0.0077 0.0006 0.0170 1004 TYR 93 C 0.0079 -0.0019 0.0207 1005 TYR 93 O 0.0129 -0.0049 0.0257 1006 TYR 93 CB 0.0126 0.0057 0.0103 1007 TYR 93 CG 0.0084 0.0093 0.0044 1008 TYR 93 CD1 0.0028 0.0119 -0.0002 1009 TYR 93 CD2 0.0101 0.0101 0.0036 1010 TYR 93 CE1 -0.0011 0.0152 -0.0056 1011 TYR 93 CE2 0.0062 0.0133 -0.0017 1012 TYR 93 CZ 0.0006 0.0159 -0.0063 1013 TYR 93 OH -0.0033 0.0191 -0.0116 1014 TYR 93 H 0.0178 -0.0024 0.0228 1015 TYR 93 HA 0.0014 0.0008 0.0158 1016 TYR 93 HB2 0.0135 0.0071 0.0084 1017 TYR 93 HB3 0.0186 0.0055 0.0116 1018 TYR 93 HD1 0.0014 0.0114 0.0003 1019 TYR 93 HD2 0.0144 0.0080 0.0072 1020 TYR 93 HE1 -0.0055 0.0172 -0.0092 1021 TYR 93 HE2 0.0076 0.0139 -0.0023 1022 TYR 93 HH -0.0055 0.0175 -0.0096 1023 VAL 94 N 0.0101 0.0070 0.0050 1024 VAL 94 CA 0.0016 0.0073 -0.0040 1025 VAL 94 C -0.0167 0.0082 -0.0022 1026 VAL 94 O -0.0232 0.0086 0.0110 1027 VAL 94 CB 0.0076 0.0071 -0.0002 1028 VAL 94 CG1 0.0063 0.0073 0.0174 1029 VAL 94 CG2 -0.0011 0.0074 -0.0104 1030 VAL 94 H 0.0174 0.0067 0.0135 1031 VAL 94 HA 0.0041 0.0071 -0.0164 1032 VAL 94 HB 0.0201 0.0064 -0.0033 1033 VAL 94 HG11 0.0106 0.0071 0.0193 1034 VAL 94 HG12 -0.0060 0.0079 0.0210 1035 VAL 94 HG13 0.0133 0.0070 0.0243 1036 VAL 94 HG21 -0.0137 0.0080 -0.0080 1037 VAL 94 HG22 0.0032 0.0072 -0.0075 1038 VAL 94 HG23 0.0010 0.0072 -0.0229