1 ASP 28 N 0.0271 -0.0030 -0.0024 2 ASP 28 CA 0.0246 -0.0034 -0.0019 3 ASP 28 C 0.0274 -0.0030 -0.0020 4 ASP 28 O 0.0300 -0.0022 -0.0047 5 ASP 28 CB 0.0214 -0.0032 -0.0054 6 ASP 28 CG 0.0186 -0.0036 -0.0051 7 ASP 28 OD1 0.0162 -0.0044 -0.0022 8 ASP 28 OD2 0.0186 -0.0030 -0.0079 9 ASP 28 H 0.0253 -0.0032 -0.0024 10 ASP 28 HA 0.0231 -0.0041 0.0010 11 ASP 28 HB2 0.0194 -0.0034 -0.0052 12 ASP 28 HB3 0.0229 -0.0024 -0.0083 13 PRO 29 N 0.0362 0.0055 -0.0017 14 PRO 29 CA 0.0396 0.0043 0.0001 15 PRO 29 C 0.0389 0.0049 -0.0031 16 PRO 29 O 0.0344 0.0062 -0.0040 17 PRO 29 CB 0.0379 0.0041 0.0061 18 PRO 29 CG 0.0348 0.0047 0.0078 19 PRO 29 CD 0.0324 0.0059 0.0027 20 PRO 29 HA 0.0438 0.0033 -0.0001 21 PRO 29 HB2 0.0356 0.0047 0.0063 22 PRO 29 HB3 0.0414 0.0029 0.0085 23 PRO 29 HG2 0.0317 0.0051 0.0108 24 PRO 29 HG3 0.0375 0.0038 0.0095 25 PRO 29 HD2 0.0285 0.0070 0.0022 26 PRO 29 HD3 0.0322 0.0060 0.0029 27 ASN 30 N 0.0283 0.0079 -0.0041 28 ASN 30 CA 0.0319 0.0037 -0.0031 29 ASN 30 C 0.0287 0.0030 -0.0074 30 ASN 30 O 0.0278 0.0066 -0.0057 31 ASN 30 CB 0.0360 0.0062 0.0037 32 ASN 30 CG 0.0399 0.0023 0.0053 33 ASN 30 OD1 0.0443 -0.0026 0.0067 34 ASN 30 ND2 0.0385 0.0045 0.0053 35 ASN 30 H 0.0290 0.0060 -0.0047 36 ASN 30 HA 0.0342 -0.0013 -0.0042 37 ASN 30 HB2 0.0384 0.0060 0.0063 38 ASN 30 HB3 0.0335 0.0115 0.0047 39 ASN 30 HD21 0.0350 0.0086 0.0043 40 ASN 30 HD22 0.0409 0.0020 0.0063 41 ALA 31 N 0.0237 -0.0049 -0.0084 42 ALA 31 CA 0.0221 -0.0062 -0.0103 43 ALA 31 C 0.0206 -0.0105 -0.0133 44 ALA 31 O 0.0175 -0.0101 -0.0161 45 ALA 31 CB 0.0193 -0.0022 -0.0118 46 ALA 31 H 0.0231 -0.0062 -0.0093 47 ALA 31 HA 0.0242 -0.0072 -0.0086 48 ALA 31 HB1 0.0183 -0.0033 -0.0132 49 ALA 31 HB2 0.0172 -0.0013 -0.0136 50 ALA 31 HB3 0.0204 0.0008 -0.0097 51 GLU 32 N 0.0124 -0.0235 -0.0121 52 GLU 32 CA 0.0106 -0.0293 -0.0154 53 GLU 32 C 0.0136 -0.0210 -0.0146 54 GLU 32 O 0.0133 -0.0230 -0.0193 55 GLU 32 CB 0.0062 -0.0389 -0.0072 56 GLU 32 CG 0.0061 -0.0355 0.0059 57 GLU 32 CD 0.0016 -0.0454 0.0134 58 GLU 32 OE1 0.0004 -0.0483 0.0149 59 GLU 32 OE2 -0.0007 -0.0505 0.0178 60 GLU 32 H 0.0112 -0.0243 -0.0039 61 GLU 32 HA 0.0103 -0.0325 -0.0243 62 GLU 32 HB2 0.0049 -0.0430 -0.0101 63 GLU 32 HB3 0.0042 -0.0444 -0.0081 64 GLU 32 HG2 0.0072 -0.0315 0.0090 65 GLU 32 HG3 0.0082 -0.0296 0.0068 66 PHE 33 N 0.0085 -0.0029 -0.0102 67 PHE 33 CA 0.0091 -0.0035 -0.0094 68 PHE 33 C 0.0099 -0.0041 -0.0094 69 PHE 33 O 0.0100 -0.0040 -0.0102 70 PHE 33 CB 0.0096 -0.0038 -0.0098 71 PHE 33 CG 0.0100 -0.0039 -0.0111 72 PHE 33 CD1 0.0109 -0.0045 -0.0114 73 PHE 33 CD2 0.0094 -0.0034 -0.0119 74 PHE 33 CE1 0.0113 -0.0046 -0.0126 75 PHE 33 CE2 0.0098 -0.0035 -0.0131 76 PHE 33 CZ 0.0107 -0.0041 -0.0134 77 PHE 33 H 0.0086 -0.0029 -0.0111 78 PHE 33 HA 0.0088 -0.0034 -0.0086 79 PHE 33 HB2 0.0102 -0.0043 -0.0093 80 PHE 33 HB3 0.0091 -0.0034 -0.0097 81 PHE 33 HD1 0.0113 -0.0050 -0.0108 82 PHE 33 HD2 0.0087 -0.0029 -0.0117 83 PHE 33 HE1 0.0120 -0.0051 -0.0129 84 PHE 33 HE2 0.0094 -0.0030 -0.0138 85 PHE 33 HZ 0.0110 -0.0042 -0.0144 86 ASP 34 N 0.0072 0.0012 -0.0091 87 ASP 34 CA 0.0086 -0.0050 -0.0065 88 ASP 34 C 0.0057 -0.0093 -0.0108 89 ASP 34 O 0.0038 -0.0068 -0.0139 90 ASP 34 CB 0.0119 -0.0040 -0.0016 91 ASP 34 CG 0.0137 -0.0103 0.0017 92 ASP 34 OD1 0.0123 -0.0144 -0.0002 93 ASP 34 OD2 0.0166 -0.0113 0.0062 94 ASP 34 H 0.0070 0.0045 -0.0097 95 ASP 34 HA 0.0094 -0.0075 -0.0052 96 ASP 34 HB2 0.0138 -0.0005 0.0012 97 ASP 34 HB3 0.0110 -0.0021 -0.0030 98 PRO 35 N 0.0071 -0.0183 -0.0118 99 PRO 35 CA 0.0026 -0.0244 -0.0175 100 PRO 35 C 0.0036 -0.0288 -0.0153 101 PRO 35 O 0.0001 -0.0342 -0.0196 102 PRO 35 CB 0.0015 -0.0318 -0.0179 103 PRO 35 CG 0.0068 -0.0328 -0.0098 104 PRO 35 CD 0.0100 -0.0233 -0.0067 105 PRO 35 HA -0.0007 -0.0208 -0.0231 106 PRO 35 HB2 -0.0004 -0.0381 -0.0197 107 PRO 35 HB3 -0.0009 -0.0295 -0.0219 108 PRO 35 HG2 0.0086 -0.0376 -0.0063 109 PRO 35 HG3 0.0065 -0.0354 -0.0098 110 PRO 35 HD2 0.0139 -0.0236 -0.0007 111 PRO 35 HD3 0.0100 -0.0200 -0.0072 112 ASP 36 N 0.0048 -0.0307 -0.0126 113 ASP 36 CA 0.0078 -0.0360 -0.0084 114 ASP 36 C 0.0074 -0.0244 -0.0089 115 ASP 36 O 0.0059 -0.0270 -0.0110 116 ASP 36 CB 0.0168 -0.0415 0.0038 117 ASP 36 CG 0.0204 -0.0466 0.0088 118 ASP 36 OD1 0.0181 -0.0580 0.0053 119 ASP 36 OD2 0.0258 -0.0391 0.0163 120 ASP 36 H 0.0084 -0.0247 -0.0075 121 ASP 36 HA 0.0039 -0.0446 -0.0140 122 ASP 36 HB2 0.0168 -0.0502 0.0037 123 ASP 36 HB3 0.0206 -0.0332 0.0093 124 LEU 37 N 0.0046 -0.0025 -0.0046 125 LEU 37 CA 0.0043 0.0019 -0.0034 126 LEU 37 C 0.0010 0.0043 -0.0078 127 LEU 37 O -0.0011 0.0054 -0.0109 128 LEU 37 CB 0.0056 0.0064 0.0004 129 LEU 37 CG 0.0091 0.0050 0.0056 130 LEU 37 CD1 0.0107 0.0036 0.0076 131 LEU 37 CD2 0.0105 0.0005 0.0061 132 LEU 37 H 0.0043 -0.0018 -0.0048 133 LEU 37 HA 0.0057 0.0000 -0.0018 134 LEU 37 HB2 0.0046 0.0073 -0.0009 135 LEU 37 HB3 0.0048 0.0100 0.0003 136 LEU 37 HG 0.0096 0.0087 0.0078 137 LEU 37 HD11 0.0131 0.0028 0.0113 138 LEU 37 HD12 0.0102 -0.0000 0.0055 139 LEU 37 HD13 0.0098 0.0070 0.0074 140 LEU 37 HD21 0.0129 -0.0003 0.0098 141 LEU 37 HD22 0.0095 0.0017 0.0050 142 LEU 37 HD23 0.0099 -0.0032 0.0040 143 PRO 38 N -0.0027 0.0162 -0.0017 144 PRO 38 CA -0.0046 0.0170 -0.0015 145 PRO 38 C -0.0047 0.0171 -0.0015 146 PRO 38 O -0.0034 0.0178 -0.0016 147 PRO 38 CB -0.0045 0.0191 -0.0015 148 PRO 38 CG -0.0031 0.0189 -0.0017 149 PRO 38 CD -0.0016 0.0175 -0.0018 150 PRO 38 HA -0.0058 0.0162 -0.0014 151 PRO 38 HB2 -0.0041 0.0201 -0.0016 152 PRO 38 HB3 -0.0059 0.0195 -0.0014 153 PRO 38 HG2 -0.0024 0.0203 -0.0017 154 PRO 38 HG3 -0.0038 0.0185 -0.0016 155 PRO 38 HD2 -0.0004 0.0182 -0.0019 156 PRO 38 HD3 -0.0010 0.0167 -0.0018 157 GLY 39 N -0.0014 0.0166 -0.0027 158 GLY 39 CA -0.0011 0.0172 -0.0028 159 GLY 39 C -0.0007 0.0173 -0.0022 160 GLY 39 O -0.0003 0.0178 -0.0021 161 GLY 39 H -0.0017 0.0162 -0.0028 162 GLY 39 HA2 -0.0013 0.0173 -0.0032 163 GLY 39 HA3 -0.0009 0.0176 -0.0029 164 GLY 40 N -0.0007 0.0139 -0.0097 165 GLY 40 CA 0.0008 0.0127 -0.0086 166 GLY 40 C 0.0040 0.0142 -0.0056 167 GLY 40 O 0.0054 0.0138 -0.0044 168 GLY 40 H -0.0009 0.0119 -0.0102 169 GLY 40 HA2 0.0011 0.0094 -0.0089 170 GLY 40 HA3 -0.0007 0.0139 -0.0097 171 GLY 41 N 0.0006 0.0163 -0.0011 172 GLY 41 CA 0.0012 0.0173 0.0022 173 GLY 41 C -0.0001 0.0207 0.0028 174 GLY 41 O 0.0001 0.0220 0.0055 175 GLY 41 H 0.0007 0.0153 -0.0021 176 GLY 41 HA2 0.0019 0.0163 0.0033 177 GLY 41 HA3 0.0018 0.0165 0.0032 178 LEU 42 N 0.0048 0.0185 0.0014 179 LEU 42 CA 0.0044 0.0209 0.0013 180 LEU 42 C 0.0041 0.0226 0.0011 181 LEU 42 O 0.0039 0.0247 0.0013 182 LEU 42 CB 0.0033 0.0210 -0.0005 183 LEU 42 CG 0.0034 0.0194 -0.0006 184 LEU 42 CD1 0.0022 0.0197 -0.0026 185 LEU 42 CD2 0.0045 0.0199 0.0012 186 LEU 42 H 0.0041 0.0176 0.0001 187 LEU 42 HA 0.0052 0.0214 0.0026 188 LEU 42 HB2 0.0025 0.0206 -0.0019 189 LEU 42 HB3 0.0030 0.0228 -0.0006 190 LEU 42 HG 0.0037 0.0176 -0.0006 191 LEU 42 HD11 0.0024 0.0185 -0.0026 192 LEU 42 HD12 0.0019 0.0215 -0.0026 193 LEU 42 HD13 0.0015 0.0192 -0.0038 194 LEU 42 HD21 0.0043 0.0217 0.0013 195 LEU 42 HD22 0.0046 0.0188 0.0011 196 LEU 42 HD23 0.0054 0.0196 0.0026 197 HIS 43 N -0.0013 0.0120 -0.0029 198 HIS 43 CA -0.0008 0.0101 -0.0033 199 HIS 43 C -0.0025 0.0107 -0.0051 200 HIS 43 O -0.0029 0.0125 -0.0048 201 HIS 43 CB 0.0007 0.0104 -0.0012 202 HIS 43 CG 0.0023 0.0102 0.0009 203 HIS 43 ND1 0.0036 0.0078 0.0014 204 HIS 43 CD2 0.0029 0.0121 0.0026 205 HIS 43 CE1 0.0049 0.0083 0.0033 206 HIS 43 NE2 0.0045 0.0108 0.0041 207 HIS 43 H -0.0019 0.0139 -0.0027 208 HIS 43 HA -0.0005 0.0082 -0.0038 209 HIS 43 HB2 0.0002 0.0122 -0.0009 210 HIS 43 HB3 0.0010 0.0088 -0.0015 211 HIS 43 HD1 0.0036 0.0061 0.0005 212 HIS 43 HD2 0.0022 0.0142 0.0028 213 HIS 43 HE1 0.0061 0.0068 0.0041 214 HIS 43 HE2 0.0051 0.0117 0.0053 215 ARG 44 N 0.0002 0.0123 -0.0034 216 ARG 44 CA -0.0043 0.0078 -0.0020 217 ARG 44 C -0.0033 0.0065 -0.0049 218 ARG 44 O 0.0002 0.0103 -0.0058 219 ARG 44 CB -0.0072 0.0098 0.0047 220 ARG 44 CG -0.0076 0.0128 0.0088 221 ARG 44 CD -0.0101 0.0150 0.0152 222 ARG 44 NE -0.0104 0.0182 0.0195 223 ARG 44 CZ -0.0129 0.0201 0.0255 224 ARG 44 NH1 -0.0153 0.0190 0.0279 225 ARG 44 NH2 -0.0131 0.0229 0.0291 226 ARG 44 H 0.0026 0.0159 -0.0028 227 ARG 44 HA -0.0065 0.0041 -0.0031 228 ARG 44 HB2 -0.0055 0.0125 0.0055 229 ARG 44 HB3 -0.0108 0.0061 0.0057 230 ARG 44 HG2 -0.0096 0.0098 0.0084 231 ARG 44 HG3 -0.0039 0.0162 0.0074 232 ARG 44 HD2 -0.0082 0.0176 0.0155 233 ARG 44 HD3 -0.0137 0.0113 0.0165 234 ARG 44 HE -0.0085 0.0191 0.0178 235 ARG 44 HH11 -0.0153 0.0169 0.0253 236 ARG 44 HH12 -0.0172 0.0203 0.0323 237 ARG 44 HH21 -0.0113 0.0238 0.0276 238 ARG 44 HH22 -0.0150 0.0243 0.0336 239 CYS 45 N -0.0054 0.0001 -0.0125 240 CYS 45 CA -0.0050 -0.0018 -0.0165 241 CYS 45 C -0.0092 -0.0018 -0.0126 242 CYS 45 O -0.0150 -0.0038 -0.0110 243 CYS 45 CB -0.0073 -0.0060 -0.0228 244 CYS 45 SG -0.0081 -0.0088 -0.0276 245 CYS 45 H -0.0090 -0.0012 -0.0117 246 CYS 45 HA -0.0002 0.0001 -0.0174 247 CYS 45 HB2 -0.0037 -0.0057 -0.0256 248 CYS 45 HB3 -0.0117 -0.0077 -0.0220 249 LEU 46 N -0.0074 0.0011 -0.0084 250 LEU 46 CA -0.0126 0.0017 0.0003 251 LEU 46 C -0.0189 -0.0061 -0.0007 252 LEU 46 O -0.0256 -0.0090 0.0053 253 LEU 46 CB -0.0082 0.0092 0.0039 254 LEU 46 CG -0.0022 0.0174 0.0058 255 LEU 46 CD1 0.0023 0.0244 0.0086 256 LEU 46 CD2 -0.0057 0.0189 0.0131 257 LEU 46 H -0.0021 0.0048 -0.0114 258 LEU 46 HA -0.0153 0.0023 0.0051 259 LEU 46 HB2 -0.0055 0.0086 -0.0010 260 LEU 46 HB3 -0.0122 0.0094 0.0102 261 LEU 46 HG 0.0016 0.0169 -0.0005 262 LEU 46 HD11 0.0052 0.0235 0.0031 263 LEU 46 HD12 0.0064 0.0301 0.0101 264 LEU 46 HD13 -0.0017 0.0245 0.0146 265 LEU 46 HD21 -0.0083 0.0142 0.0107 266 LEU 46 HD22 -0.0099 0.0188 0.0193 267 LEU 46 HD23 -0.0012 0.0248 0.0144 268 ALA 47 N -0.0086 -0.0087 -0.0120 269 ALA 47 CA -0.0120 -0.0124 -0.0143 270 ALA 47 C -0.0161 -0.0156 -0.0146 271 ALA 47 O -0.0199 -0.0187 -0.0152 272 ALA 47 CB -0.0092 -0.0136 -0.0196 273 ALA 47 H -0.0052 -0.0075 -0.0141 274 ALA 47 HA -0.0135 -0.0121 -0.0118 275 ALA 47 HB1 -0.0117 -0.0163 -0.0211 276 ALA 47 HB2 -0.0077 -0.0141 -0.0221 277 ALA 47 HB3 -0.0063 -0.0114 -0.0193 278 CYS 48 N -0.0212 -0.0096 -0.0118 279 CYS 48 CA -0.0278 -0.0133 -0.0119 280 CYS 48 C -0.0310 -0.0123 -0.0038 281 CYS 48 O -0.0372 -0.0154 -0.0027 282 CYS 48 CB -0.0268 -0.0151 -0.0184 283 CYS 48 SG -0.0250 -0.0174 -0.0278 284 CYS 48 H -0.0167 -0.0067 -0.0106 285 CYS 48 HA -0.0318 -0.0161 -0.0133 286 CYS 48 HB2 -0.0223 -0.0127 -0.0188 287 CYS 48 HB3 -0.0319 -0.0179 -0.0183 288 ALA 49 N -0.0284 -0.0129 0.0011 289 ALA 49 CA -0.0316 -0.0082 0.0100 290 ALA 49 C -0.0303 -0.0098 0.0067 291 ALA 49 O -0.0349 -0.0091 0.0127 292 ALA 49 CB -0.0418 -0.0118 0.0178 293 ALA 49 H -0.0235 -0.0088 -0.0001 294 ALA 49 HA -0.0271 -0.0006 0.0133 295 ALA 49 HB1 -0.0464 -0.0194 0.0145 296 ALA 49 HB2 -0.0425 -0.0105 0.0199 297 ALA 49 HB3 -0.0439 -0.0080 0.0244 298 ARG 50 N -0.0310 -0.0045 0.0054 299 ARG 50 CA -0.0303 -0.0047 0.0048 300 ARG 50 C -0.0187 0.0020 0.0077 301 ARG 50 O -0.0090 0.0042 0.0050 302 ARG 50 CB -0.0312 -0.0128 -0.0066 303 ARG 50 CG -0.0432 -0.0201 -0.0100 304 ARG 50 CD -0.0433 -0.0279 -0.0214 305 ARG 50 NE -0.0547 -0.0350 -0.0250 306 ARG 50 CZ -0.0568 -0.0427 -0.0350 307 ARG 50 NH1 -0.0485 -0.0442 -0.0423 308 ARG 50 NH2 -0.0673 -0.0488 -0.0376 309 ARG 50 H -0.0256 -0.0061 -0.0001 310 ARG 50 HA -0.0379 -0.0038 0.0108 311 ARG 50 HB2 -0.0236 -0.0138 -0.0126 312 ARG 50 HB3 -0.0301 -0.0124 -0.0067 313 ARG 50 HG2 -0.0507 -0.0192 -0.0042 314 ARG 50 HG3 -0.0443 -0.0206 -0.0101 315 ARG 50 HD2 -0.0356 -0.0287 -0.0272 316 ARG 50 HD3 -0.0424 -0.0274 -0.0212 317 ARG 50 HE -0.0610 -0.0338 -0.0194 318 ARG 50 HH11 -0.0405 -0.0398 -0.0406 319 ARG 50 HH12 -0.0497 -0.0499 -0.0498 320 ARG 50 HH21 -0.0739 -0.0479 -0.0322 321 ARG 50 HH22 -0.0689 -0.0545 -0.0451 322 TYR 51 N -0.0118 0.0064 0.0006 323 TYR 51 CA -0.0092 0.0093 0.0004 324 TYR 51 C -0.0084 0.0079 -0.0043 325 TYR 51 O -0.0108 0.0046 -0.0056 326 TYR 51 CB -0.0107 0.0097 0.0046 327 TYR 51 CG -0.0120 0.0107 0.0095 328 TYR 51 CD1 -0.0155 0.0077 0.0115 329 TYR 51 CD2 -0.0097 0.0146 0.0121 330 TYR 51 CE1 -0.0166 0.0086 0.0160 331 TYR 51 CE2 -0.0109 0.0155 0.0166 332 TYR 51 CZ -0.0143 0.0125 0.0185 333 TYR 51 OH -0.0155 0.0133 0.0229 334 TYR 51 H -0.0142 0.0040 0.0013 335 TYR 51 HA -0.0069 0.0121 0.0007 336 TYR 51 HB2 -0.0130 0.0069 0.0042 337 TYR 51 HB3 -0.0087 0.0120 0.0045 338 TYR 51 HD1 -0.0173 0.0046 0.0096 339 TYR 51 HD2 -0.0070 0.0170 0.0107 340 TYR 51 HE1 -0.0193 0.0062 0.0175 341 TYR 51 HE2 -0.0090 0.0186 0.0186 342 TYR 51 HH -0.0178 0.0115 0.0246 343 PHE 52 N -0.0083 0.0137 -0.0063 344 PHE 52 CA -0.0048 0.0129 -0.0051 345 PHE 52 C -0.0011 0.0156 -0.0006 346 PHE 52 O 0.0005 0.0162 0.0008 347 PHE 52 CB -0.0016 0.0079 -0.0079 348 PHE 52 CG -0.0050 0.0049 -0.0125 349 PHE 52 CD1 -0.0073 0.0036 -0.0149 350 PHE 52 CD2 -0.0059 0.0035 -0.0143 351 PHE 52 CE1 -0.0104 0.0009 -0.0191 352 PHE 52 CE2 -0.0090 0.0007 -0.0185 353 PHE 52 CZ -0.0113 -0.0005 -0.0209 354 PHE 52 H -0.0069 0.0126 -0.0064 355 PHE 52 HA -0.0072 0.0139 -0.0054 356 PHE 52 HB2 0.0008 0.0069 -0.0075 357 PHE 52 HB3 0.0010 0.0075 -0.0069 358 PHE 52 HD1 -0.0066 0.0047 -0.0135 359 PHE 52 HD2 -0.0041 0.0045 -0.0124 360 PHE 52 HE1 -0.0122 -0.0001 -0.0210 361 PHE 52 HE2 -0.0097 -0.0004 -0.0198 362 PHE 52 HZ -0.0138 -0.0027 -0.0241 363 ILE 53 N -0.0013 0.0192 0.0036 364 ILE 53 CA -0.0006 0.0189 0.0083 365 ILE 53 C 0.0008 0.0129 0.0109 366 ILE 53 O 0.0015 0.0111 0.0130 367 ILE 53 CB -0.0008 0.0232 0.0131 368 ILE 53 CG1 -0.0004 0.0224 0.0152 369 ILE 53 CG2 -0.0022 0.0293 0.0111 370 ILE 53 CD1 -0.0005 0.0264 0.0200 371 ILE 53 H -0.0018 0.0219 0.0040 372 ILE 53 HA -0.0010 0.0199 0.0068 373 ILE 53 HB -0.0002 0.0225 0.0166 374 ILE 53 HG12 -0.0010 0.0230 0.0117 375 ILE 53 HG13 0.0006 0.0181 0.0166 376 ILE 53 HG21 -0.0029 0.0300 0.0074 377 ILE 53 HG22 -0.0025 0.0298 0.0100 378 ILE 53 HG23 -0.0024 0.0323 0.0145 379 ILE 53 HD11 0.0001 0.0257 0.0237 380 ILE 53 HD12 -0.0002 0.0256 0.0211 381 ILE 53 HD13 -0.0015 0.0307 0.0187 382 ASP 54 N 0.0027 0.0159 0.0083 383 ASP 54 CA 0.0053 0.0097 0.0111 384 ASP 54 C 0.0050 0.0039 0.0071 385 ASP 54 O 0.0033 0.0049 0.0036 386 ASP 54 CB 0.0080 0.0102 0.0178 387 ASP 54 CG 0.0109 0.0042 0.0213 388 ASP 54 OD1 0.0121 0.0038 0.0240 389 ASP 54 OD2 0.0119 -0.0002 0.0214 390 ASP 54 H 0.0016 0.0163 0.0058 391 ASP 54 HA 0.0056 0.0089 0.0113 392 ASP 54 HB2 0.0082 0.0145 0.0205 393 ASP 54 HB3 0.0078 0.0109 0.0176 394 SER 55 N 0.0052 0.0006 0.0103 395 SER 55 CA 0.0044 -0.0073 0.0064 396 SER 55 C 0.0062 -0.0098 0.0091 397 SER 55 O 0.0043 -0.0134 0.0047 398 SER 55 CB 0.0062 -0.0143 0.0078 399 SER 55 OG 0.0056 -0.0223 0.0045 400 SER 55 H 0.0070 0.0005 0.0135 401 SER 55 HA 0.0010 -0.0065 0.0005 402 SER 55 HB2 0.0045 -0.0125 0.0052 403 SER 55 HB3 0.0094 -0.0147 0.0137 404 SER 55 HG 0.0080 -0.0252 0.0080 405 THR 56 N 0.0051 -0.0095 0.0135 406 THR 56 CA 0.0065 -0.0098 0.0180 407 THR 56 C 0.0042 -0.0023 0.0129 408 THR 56 O 0.0038 -0.0047 0.0108 409 THR 56 CB 0.0095 -0.0071 0.0292 410 THR 56 OG1 0.0114 -0.0134 0.0337 411 THR 56 CG2 0.0112 -0.0088 0.0344 412 THR 56 H 0.0061 -0.0070 0.0177 413 THR 56 HA 0.0070 -0.0176 0.0171 414 THR 56 HB 0.0088 0.0010 0.0297 415 THR 56 HG1 0.0107 -0.0100 0.0323 416 THR 56 HG21 0.0132 -0.0067 0.0422 417 THR 56 HG22 0.0118 -0.0169 0.0335 418 THR 56 HG23 0.0097 -0.0041 0.0310 419 ASN 57 N 0.0054 -0.0011 0.0109 420 ASN 57 CA 0.0026 0.0046 0.0066 421 ASN 57 C 0.0006 0.0019 -0.0017 422 ASN 57 O -0.0009 0.0032 -0.0054 423 ASN 57 CB 0.0010 0.0126 0.0077 424 ASN 57 CG 0.0021 0.0174 0.0150 425 ASN 57 OD1 0.0010 0.0219 0.0151 426 ASN 57 ND2 0.0043 0.0165 0.0212 427 ASN 57 H 0.0056 0.0005 0.0128 428 ASN 57 HA 0.0032 0.0053 0.0089 429 ASN 57 HB2 0.0014 0.0114 0.0080 430 ASN 57 HB3 -0.0014 0.0158 0.0028 431 ASN 57 HD21 0.0052 0.0129 0.0212 432 ASN 57 HD22 0.0051 0.0196 0.0260 433 LEU 58 N 0.0013 -0.0001 -0.0072 434 LEU 58 CA 0.0002 -0.0020 -0.0118 435 LEU 58 C 0.0016 -0.0062 -0.0138 436 LEU 58 O 0.0001 -0.0066 -0.0175 437 LEU 58 CB 0.0006 -0.0028 -0.0119 438 LEU 58 CG -0.0000 -0.0053 -0.0163 439 LEU 58 CD1 0.0024 -0.0103 -0.0168 440 LEU 58 CD2 -0.0028 -0.0038 -0.0205 441 LEU 58 H 0.0024 -0.0002 -0.0047 442 LEU 58 HA -0.0021 0.0005 -0.0139 443 LEU 58 HB2 -0.0008 0.0004 -0.0111 444 LEU 58 HB3 0.0027 -0.0045 -0.0092 445 LEU 58 HG -0.0003 -0.0049 -0.0163 446 LEU 58 HD11 0.0019 -0.0120 -0.0199 447 LEU 58 HD12 0.0029 -0.0111 -0.0168 448 LEU 58 HD13 0.0043 -0.0113 -0.0139 449 LEU 58 HD21 -0.0025 -0.0045 -0.0208 450 LEU 58 HD22 -0.0032 -0.0056 -0.0236 451 LEU 58 HD23 -0.0045 -0.0003 -0.0202 452 LYS 59 N 0.0004 -0.0123 -0.0078 453 LYS 59 CA -0.0003 -0.0168 -0.0058 454 LYS 59 C -0.0000 -0.0106 -0.0016 455 LYS 59 O 0.0001 -0.0114 -0.0033 456 LYS 59 CB -0.0017 -0.0250 -0.0003 457 LYS 59 CG -0.0024 -0.0235 0.0087 458 LYS 59 CD -0.0037 -0.0320 0.0133 459 LYS 59 CE -0.0045 -0.0372 0.0152 460 LYS 59 NZ -0.0045 -0.0326 0.0214 461 LYS 59 H -0.0000 -0.0140 -0.0052 462 LYS 59 HA 0.0001 -0.0187 -0.0120 463 LYS 59 HB2 -0.0021 -0.0283 0.0004 464 LYS 59 HB3 -0.0018 -0.0292 -0.0038 465 LYS 59 HG2 -0.0019 -0.0199 0.0079 466 LYS 59 HG3 -0.0023 -0.0197 0.0124 467 LYS 59 HD2 -0.0038 -0.0359 0.0091 468 LYS 59 HD3 -0.0041 -0.0307 0.0192 469 LYS 59 HE2 -0.0040 -0.0384 0.0092 470 LYS 59 HE3 -0.0054 -0.0433 0.0180 471 LYS 59 HZ1 -0.0050 -0.0317 0.0274 472 LYS 59 HZ2 -0.0051 -0.0363 0.0225 473 LYS 59 HZ3 -0.0037 -0.0265 0.0192 474 THR 60 N -0.0017 -0.0127 -0.0020 475 THR 60 CA -0.0008 -0.0081 0.0015 476 THR 60 C -0.0022 -0.0035 -0.0061 477 THR 60 O -0.0021 -0.0026 -0.0060 478 THR 60 CB 0.0009 -0.0012 0.0086 479 THR 60 OG1 0.0022 -0.0058 0.0157 480 THR 60 CG2 0.0019 0.0038 0.0123 481 THR 60 H -0.0013 -0.0107 -0.0002 482 THR 60 HA -0.0004 -0.0131 0.0044 483 THR 60 HB 0.0005 0.0035 0.0053 484 THR 60 HG1 0.0017 -0.0076 0.0137 485 THR 60 HG21 0.0031 0.0086 0.0172 486 THR 60 HG22 0.0024 -0.0010 0.0154 487 THR 60 HG23 0.0010 0.0072 0.0070 488 HIS 61 N -0.0019 -0.0095 -0.0195 489 HIS 61 CA -0.0045 -0.0085 -0.0227 490 HIS 61 C -0.0045 -0.0116 -0.0259 491 HIS 61 O -0.0063 -0.0114 -0.0285 492 HIS 61 CB -0.0061 -0.0061 -0.0228 493 HIS 61 CG -0.0084 -0.0059 -0.0263 494 HIS 61 ND1 -0.0106 -0.0042 -0.0281 495 HIS 61 CD2 -0.0087 -0.0074 -0.0284 496 HIS 61 CE1 -0.0121 -0.0047 -0.0312 497 HIS 61 NE2 -0.0111 -0.0066 -0.0314 498 HIS 61 H -0.0014 -0.0090 -0.0181 499 HIS 61 HA -0.0053 -0.0071 -0.0226 500 HIS 61 HB2 -0.0067 -0.0036 -0.0212 501 HIS 61 HB3 -0.0048 -0.0070 -0.0217 502 HIS 61 HD1 -0.0109 -0.0029 -0.0274 503 HIS 61 HD2 -0.0074 -0.0089 -0.0278 504 HIS 61 HE1 -0.0140 -0.0040 -0.0335 505 PHE 62 N -0.0035 -0.0058 -0.0173 506 PHE 62 CA -0.0035 -0.0076 -0.0192 507 PHE 62 C -0.0036 -0.0077 -0.0171 508 PHE 62 O -0.0036 -0.0093 -0.0182 509 PHE 62 CB -0.0037 -0.0112 -0.0202 510 PHE 62 CG -0.0037 -0.0115 -0.0219 511 PHE 62 CD1 -0.0035 -0.0097 -0.0248 512 PHE 62 CD2 -0.0038 -0.0137 -0.0205 513 PHE 62 CE1 -0.0035 -0.0100 -0.0263 514 PHE 62 CE2 -0.0038 -0.0140 -0.0220 515 PHE 62 CZ -0.0037 -0.0122 -0.0249 516 PHE 62 H -0.0035 -0.0071 -0.0158 517 PHE 62 HA -0.0034 -0.0061 -0.0215 518 PHE 62 HB2 -0.0038 -0.0130 -0.0181 519 PHE 62 HB3 -0.0037 -0.0120 -0.0221 520 PHE 62 HD1 -0.0034 -0.0080 -0.0259 521 PHE 62 HD2 -0.0040 -0.0152 -0.0183 522 PHE 62 HE1 -0.0034 -0.0085 -0.0286 523 PHE 62 HE2 -0.0040 -0.0158 -0.0209 524 PHE 62 HZ -0.0037 -0.0125 -0.0260 525 ARG 63 N -0.0077 -0.0068 -0.0246 526 ARG 63 CA -0.0072 -0.0072 -0.0107 527 ARG 63 C -0.0032 0.0013 -0.0126 528 ARG 63 O -0.0020 0.0027 -0.0019 529 ARG 63 CB -0.0046 -0.0032 0.0033 530 ARG 63 CG -0.0092 -0.0133 0.0074 531 ARG 63 CD -0.0064 -0.0088 0.0213 532 ARG 63 NE -0.0049 -0.0072 0.0348 533 ARG 63 CZ -0.0034 -0.0055 0.0491 534 ARG 63 NH1 -0.0035 -0.0060 0.0522 535 ARG 63 NH2 -0.0019 -0.0035 0.0602 536 ARG 63 H -0.0050 -0.0011 -0.0250 537 ARG 63 HA -0.0123 -0.0179 -0.0093 538 ARG 63 HB2 0.0002 0.0069 0.0012 539 ARG 63 HB3 -0.0038 -0.0026 0.0130 540 ARG 63 HG2 -0.0139 -0.0233 0.0099 541 ARG 63 HG3 -0.0101 -0.0141 -0.0023 542 ARG 63 HD2 -0.0100 -0.0166 0.0240 543 ARG 63 HD3 -0.0018 0.0010 0.0187 544 ARG 63 HE -0.0050 -0.0072 0.0327 545 ARG 63 HH11 -0.0047 -0.0076 0.0440 546 ARG 63 HH12 -0.0023 -0.0047 0.0629 547 ARG 63 HH21 -0.0019 -0.0033 0.0582 548 ARG 63 HH22 -0.0007 -0.0022 0.0712 549 SER 64 N -0.0033 -0.0056 -0.0124 550 SER 64 CA -0.0005 -0.0041 -0.0106 551 SER 64 C -0.0033 -0.0050 -0.0094 552 SER 64 O -0.0045 -0.0061 -0.0125 553 SER 64 CB 0.0030 -0.0034 -0.0142 554 SER 64 OG 0.0050 -0.0030 -0.0163 555 SER 64 H -0.0034 -0.0063 -0.0157 556 SER 64 HA 0.0008 -0.0030 -0.0077 557 SER 64 HB2 0.0016 -0.0045 -0.0168 558 SER 64 HB3 0.0054 -0.0022 -0.0127 559 SER 64 HG 0.0067 -0.0019 -0.0141 560 LYS 65 N -0.0002 -0.0025 -0.0045 561 LYS 65 CA -0.0104 -0.0040 0.0020 562 LYS 65 C -0.0065 -0.0033 0.0007 563 LYS 65 O -0.0155 -0.0052 -0.0007 564 LYS 65 CB -0.0146 -0.0037 0.0176 565 LYS 65 CG -0.0025 -0.0007 0.0281 566 LYS 65 CD 0.0061 0.0012 0.0313 567 LYS 65 CE 0.0177 0.0041 0.0416 568 LYS 65 NZ 0.0268 0.0060 0.0443 569 LYS 65 H 0.0044 -0.0012 0.0013 570 LYS 65 HA -0.0196 -0.0062 -0.0045 571 LYS 65 HB2 -0.0210 -0.0046 0.0221 572 LYS 65 HB3 -0.0209 -0.0049 0.0171 573 LYS 65 HG2 -0.0070 -0.0008 0.0380 574 LYS 65 HG3 0.0042 0.0003 0.0237 575 LYS 65 HD2 0.0106 0.0014 0.0216 576 LYS 65 HD3 -0.0008 0.0002 0.0359 577 LYS 65 HE2 0.0130 0.0039 0.0516 578 LYS 65 HE3 0.0240 0.0050 0.0373 579 LYS 65 HZ1 0.0211 0.0052 0.0484 580 LYS 65 HZ2 0.0318 0.0063 0.0351 581 LYS 65 HZ3 0.0344 0.0080 0.0516 582 ASP 66 N -0.0020 -0.0025 -0.0013 583 ASP 66 CA 0.0016 -0.0019 -0.0014 584 ASP 66 C 0.0006 -0.0033 -0.0095 585 ASP 66 O 0.0001 -0.0035 -0.0101 586 ASP 66 CB 0.0104 -0.0002 0.0005 587 ASP 66 CG 0.0142 0.0006 0.0021 588 ASP 66 OD1 0.0140 0.0017 0.0090 589 ASP 66 OD2 0.0174 0.0003 -0.0035 590 ASP 66 H 0.0014 -0.0019 -0.0013 591 ASP 66 HA -0.0014 -0.0017 0.0031 592 ASP 66 HB2 0.0109 0.0007 0.0057 593 ASP 66 HB3 0.0134 -0.0005 -0.0044 594 HIS 67 N -0.0042 -0.0093 -0.0170 595 HIS 67 CA -0.0044 -0.0098 -0.0192 596 HIS 67 C -0.0071 -0.0088 -0.0190 597 HIS 67 O -0.0070 -0.0088 -0.0188 598 HIS 67 CB -0.0045 -0.0107 -0.0223 599 HIS 67 CG -0.0044 -0.0113 -0.0247 600 HIS 67 ND1 -0.0030 -0.0118 -0.0244 601 HIS 67 CD2 -0.0049 -0.0119 -0.0276 602 HIS 67 CE1 -0.0024 -0.0127 -0.0270 603 HIS 67 NE2 -0.0035 -0.0128 -0.0290 604 HIS 67 H -0.0043 -0.0095 -0.0176 605 HIS 67 HA -0.0026 -0.0104 -0.0188 606 HIS 67 HB2 -0.0025 -0.0115 -0.0227 607 HIS 67 HB3 -0.0063 -0.0101 -0.0228 608 HIS 67 HD1 -0.0023 -0.0115 -0.0226 609 HIS 67 HD2 -0.0064 -0.0116 -0.0283 610 HIS 67 HE1 -0.0013 -0.0132 -0.0276 611 LYS 68 N -0.0086 -0.0010 -0.0154 612 LYS 68 CA -0.0112 -0.0029 -0.0160 613 LYS 68 C -0.0119 -0.0033 -0.0152 614 LYS 68 O -0.0135 -0.0046 -0.0165 615 LYS 68 CB -0.0128 -0.0039 -0.0141 616 LYS 68 CG -0.0119 -0.0033 -0.0148 617 LYS 68 CD -0.0136 -0.0043 -0.0128 618 LYS 68 CE -0.0132 -0.0038 -0.0093 619 LYS 68 NZ -0.0146 -0.0046 -0.0074 620 LYS 68 H -0.0082 -0.0006 -0.0136 621 LYS 68 HA -0.0114 -0.0033 -0.0184 622 LYS 68 HB2 -0.0126 -0.0035 -0.0117 623 LYS 68 HB3 -0.0147 -0.0053 -0.0147 624 LYS 68 HG2 -0.0118 -0.0035 -0.0172 625 LYS 68 HG3 -0.0100 -0.0019 -0.0142 626 LYS 68 HD2 -0.0155 -0.0057 -0.0133 627 LYS 68 HD3 -0.0130 -0.0039 -0.0133 628 LYS 68 HE2 -0.0112 -0.0023 -0.0089 629 LYS 68 HE3 -0.0139 -0.0042 -0.0088 630 LYS 68 HZ1 -0.0166 -0.0060 -0.0078 631 LYS 68 HZ2 -0.0143 -0.0042 -0.0051 632 LYS 68 HZ3 -0.0140 -0.0042 -0.0079 633 LYS 69 N -0.0128 -0.0036 -0.0164 634 LYS 69 CA -0.0114 -0.0015 -0.0105 635 LYS 69 C -0.0076 -0.0030 -0.0098 636 LYS 69 O -0.0086 -0.0012 -0.0068 637 LYS 69 CB -0.0083 -0.0015 -0.0074 638 LYS 69 CG -0.0049 -0.0004 -0.0015 639 LYS 69 CD -0.0016 -0.0011 0.0003 640 LYS 69 CE 0.0023 -0.0004 0.0060 641 LYS 69 NZ 0.0055 -0.0014 0.0071 642 LYS 69 H -0.0118 -0.0046 -0.0174 643 LYS 69 HA -0.0152 0.0012 -0.0088 644 LYS 69 HB2 -0.0113 0.0001 -0.0070 645 LYS 69 HB3 -0.0054 -0.0042 -0.0100 646 LYS 69 HG2 -0.0021 -0.0020 -0.0020 647 LYS 69 HG3 -0.0077 0.0023 0.0014 648 LYS 69 HD2 -0.0047 0.0005 0.0006 649 LYS 69 HD3 0.0007 -0.0039 -0.0030 650 LYS 69 HE2 0.0053 -0.0019 0.0059 651 LYS 69 HE3 -0.0001 0.0024 0.0094 652 LYS 69 HZ1 0.0084 -0.0010 0.0110 653 LYS 69 HZ2 0.0077 -0.0040 0.0038 654 LYS 69 HZ3 0.0026 0.0000 0.0071 655 ARG 70 N -0.0052 -0.0024 -0.0094 656 ARG 70 CA 0.0010 -0.0069 -0.0028 657 ARG 70 C -0.0011 -0.0038 -0.0035 658 ARG 70 O 0.0023 -0.0025 0.0039 659 ARG 70 CB 0.0057 -0.0185 -0.0057 660 ARG 70 CG 0.0127 -0.0238 0.0015 661 ARG 70 CD 0.0167 -0.0201 0.0122 662 ARG 70 NE 0.0233 -0.0246 0.0195 663 ARG 70 CZ 0.0263 -0.0201 0.0293 664 ARG 70 NH1 0.0233 -0.0108 0.0331 665 ARG 70 NH2 0.0324 -0.0249 0.0352 666 ARG 70 H -0.0062 -0.0069 -0.0155 667 ARG 70 HA 0.0037 -0.0041 0.0048 668 ARG 70 HB2 0.0065 -0.0207 -0.0064 669 ARG 70 HB3 0.0030 -0.0211 -0.0131 670 ARG 70 HG2 0.0158 -0.0319 -0.0009 671 ARG 70 HG3 0.0118 -0.0221 0.0015 672 ARG 70 HD2 0.0136 -0.0119 0.0146 673 ARG 70 HD3 0.0178 -0.0220 0.0123 674 ARG 70 HE 0.0255 -0.0315 0.0168 675 ARG 70 HH11 0.0188 -0.0068 0.0289 676 ARG 70 HH12 0.0255 -0.0072 0.0404 677 ARG 70 HH21 0.0347 -0.0319 0.0325 678 ARG 70 HH22 0.0349 -0.0219 0.0426 679 LEU 71 N -0.0046 -0.0051 -0.0103 680 LEU 71 CA -0.0057 -0.0033 -0.0109 681 LEU 71 C -0.0067 0.0013 -0.0083 682 LEU 71 O -0.0065 0.0026 -0.0063 683 LEU 71 CB -0.0078 -0.0031 -0.0159 684 LEU 71 CG -0.0071 -0.0075 -0.0191 685 LEU 71 CD1 -0.0093 -0.0068 -0.0239 686 LEU 71 CD2 -0.0049 -0.0109 -0.0176 687 LEU 71 H -0.0054 -0.0055 -0.0129 688 LEU 71 HA -0.0042 -0.0053 -0.0098 689 LEU 71 HB2 -0.0092 -0.0009 -0.0169 690 LEU 71 HB3 -0.0086 -0.0017 -0.0162 691 LEU 71 HG -0.0065 -0.0087 -0.0191 692 LEU 71 HD11 -0.0099 -0.0056 -0.0240 693 LEU 71 HD12 -0.0108 -0.0045 -0.0250 694 LEU 71 HD13 -0.0088 -0.0100 -0.0261 695 LEU 71 HD21 -0.0032 -0.0116 -0.0144 696 LEU 71 HD22 -0.0054 -0.0097 -0.0175 697 LEU 71 HD23 -0.0045 -0.0139 -0.0200 698 LYS 72 N -0.0079 0.0057 -0.0008 699 LYS 72 CA -0.0040 0.0117 -0.0010 700 LYS 72 C -0.0036 0.0110 0.0046 701 LYS 72 O -0.0001 0.0155 0.0087 702 LYS 72 CB -0.0041 0.0135 -0.0093 703 LYS 72 CG -0.0002 0.0199 -0.0103 704 LYS 72 CD -0.0004 0.0215 -0.0187 705 LYS 72 CE 0.0035 0.0279 -0.0198 706 LYS 72 NZ 0.0034 0.0297 -0.0281 707 LYS 72 H -0.0101 0.0033 -0.0055 708 LYS 72 HA -0.0013 0.0156 0.0007 709 LYS 72 HB2 -0.0045 0.0139 -0.0132 710 LYS 72 HB3 -0.0069 0.0096 -0.0110 711 LYS 72 HG2 0.0000 0.0194 -0.0069 712 LYS 72 HG3 0.0027 0.0239 -0.0084 713 LYS 72 HD2 -0.0007 0.0219 -0.0222 714 LYS 72 HD3 -0.0033 0.0176 -0.0206 715 LYS 72 HE2 0.0037 0.0274 -0.0166 716 LYS 72 HE3 0.0063 0.0318 -0.0177 717 LYS 72 HZ1 0.0007 0.0261 -0.0303 718 LYS 72 HZ2 0.0033 0.0303 -0.0314 719 LYS 72 HZ3 0.0061 0.0341 -0.0286 720 GLN 73 N -0.0017 0.0099 0.0091 721 GLN 73 CA 0.0034 0.0092 0.0179 722 GLN 73 C 0.0062 0.0059 0.0199 723 GLN 73 O 0.0082 0.0088 0.0264 724 GLN 73 CB 0.0075 0.0034 0.0198 725 GLN 73 CG 0.0053 0.0064 0.0186 726 GLN 73 CD 0.0094 0.0003 0.0202 727 GLN 73 OE1 0.0128 -0.0074 0.0188 728 GLN 73 NE2 0.0092 0.0035 0.0231 729 GLN 73 H -0.0018 0.0061 0.0052 730 GLN 73 HA 0.0022 0.0154 0.0218 731 GLN 73 HB2 0.0086 -0.0027 0.0157 732 GLN 73 HB3 0.0113 0.0028 0.0262 733 GLN 73 HG2 0.0044 0.0123 0.0229 734 GLN 73 HG3 0.0014 0.0072 0.0122 735 GLN 73 HE21 0.0065 0.0097 0.0240 736 GLN 73 HE22 0.0117 -0.0001 0.0241 737 LEU 74 N 0.0043 0.0029 0.0166 738 LEU 74 CA 0.0061 0.0002 0.0176 739 LEU 74 C 0.0025 0.0061 0.0163 740 LEU 74 O 0.0037 0.0054 0.0184 741 LEU 74 CB 0.0081 -0.0073 0.0122 742 LEU 74 CG 0.0106 -0.0115 0.0131 743 LEU 74 CD1 0.0145 -0.0133 0.0216 744 LEU 74 CD2 0.0122 -0.0188 0.0071 745 LEU 74 H 0.0035 0.0011 0.0116 746 LEU 74 HA 0.0088 -0.0008 0.0237 747 LEU 74 HB2 0.0102 -0.0110 0.0128 748 LEU 74 HB3 0.0052 -0.0058 0.0063 749 LEU 74 HG 0.0083 -0.0080 0.0119 750 LEU 74 HD11 0.0162 -0.0163 0.0220 751 LEU 74 HD12 0.0167 -0.0167 0.0229 752 LEU 74 HD13 0.0133 -0.0081 0.0257 753 LEU 74 HD21 0.0145 -0.0224 0.0081 754 LEU 74 HD22 0.0140 -0.0217 0.0078 755 LEU 74 HD23 0.0094 -0.0174 0.0010 756 SER 75 N -0.0006 0.0075 0.0109 757 SER 75 CA -0.0040 0.0135 0.0094 758 SER 75 C -0.0050 0.0112 0.0027 759 SER 75 O -0.0070 0.0147 0.0018 760 SER 75 CB -0.0033 0.0170 0.0167 761 SER 75 OG -0.0066 0.0232 0.0154 762 SER 75 H -0.0011 0.0073 0.0092 763 SER 75 HA -0.0065 0.0174 0.0075 764 SER 75 HB2 -0.0026 0.0186 0.0210 765 SER 75 HB3 -0.0008 0.0131 0.0185 766 SER 75 HG -0.0070 0.0269 0.0196 767 VAL 76 N -0.0048 0.0058 -0.0037 768 VAL 76 CA -0.0054 0.0041 -0.0081 769 VAL 76 C -0.0079 0.0085 -0.0121 770 VAL 76 O -0.0089 0.0105 -0.0131 771 VAL 76 CB -0.0042 -0.0011 -0.0113 772 VAL 76 CG1 -0.0048 -0.0028 -0.0160 773 VAL 76 CG2 -0.0017 -0.0055 -0.0075 774 VAL 76 H -0.0040 0.0039 -0.0032 775 VAL 76 HA -0.0047 0.0035 -0.0064 776 VAL 76 HB -0.0049 -0.0004 -0.0129 777 VAL 76 HG11 -0.0040 -0.0064 -0.0182 778 VAL 76 HG12 -0.0042 -0.0033 -0.0145 779 VAL 76 HG13 -0.0066 0.0003 -0.0189 780 VAL 76 HG21 -0.0009 -0.0091 -0.0097 781 VAL 76 HG22 -0.0013 -0.0043 -0.0043 782 VAL 76 HG23 -0.0010 -0.0062 -0.0057 783 GLU 77 N -0.0080 0.0063 -0.0102 784 GLU 77 CA -0.0091 0.0087 -0.0124 785 GLU 77 C -0.0095 0.0104 -0.0122 786 GLU 77 O -0.0094 0.0092 -0.0135 787 GLU 77 CB -0.0093 0.0075 -0.0159 788 GLU 77 CG -0.0086 0.0047 -0.0171 789 GLU 77 CD -0.0089 0.0037 -0.0206 790 GLU 77 OE1 -0.0086 0.0024 -0.0213 791 GLU 77 OE2 -0.0094 0.0043 -0.0228 792 GLU 77 H -0.0076 0.0050 -0.0099 793 GLU 77 HA -0.0094 0.0104 -0.0117 794 GLU 77 HB2 -0.0101 0.0094 -0.0175 795 GLU 77 HB3 -0.0092 0.0070 -0.0161 796 GLU 77 HG2 -0.0078 0.0027 -0.0157 797 GLU 77 HG3 -0.0087 0.0052 -0.0169 798 PRO 78 N -0.0069 0.0175 -0.0093 799 PRO 78 CA -0.0060 0.0169 -0.0107 800 PRO 78 C -0.0034 0.0184 -0.0141 801 PRO 78 O -0.0025 0.0219 -0.0143 802 PRO 78 CB -0.0072 0.0193 -0.0082 803 PRO 78 CG -0.0092 0.0201 -0.0052 804 PRO 78 CD -0.0084 0.0202 -0.0063 805 PRO 78 HA -0.0065 0.0138 -0.0110 806 PRO 78 HB2 -0.0060 0.0220 -0.0092 807 PRO 78 HB3 -0.0079 0.0177 -0.0078 808 PRO 78 HG2 -0.0096 0.0229 -0.0038 809 PRO 78 HG3 -0.0108 0.0177 -0.0037 810 PRO 78 HD2 -0.0074 0.0232 -0.0068 811 PRO 78 HD3 -0.0099 0.0192 -0.0045 812 TYR 79 N 0.0047 0.0074 -0.0166 813 TYR 79 CA 0.0039 0.0070 -0.0153 814 TYR 79 C -0.0013 0.0056 -0.0088 815 TYR 79 O 0.0009 0.0029 -0.0027 816 TYR 79 CB 0.0114 0.0055 -0.0149 817 TYR 79 CG 0.0162 0.0071 -0.0218 818 TYR 79 CD1 0.0212 0.0067 -0.0231 819 TYR 79 CD2 0.0157 0.0092 -0.0269 820 TYR 79 CE1 0.0255 0.0082 -0.0294 821 TYR 79 CE2 0.0200 0.0107 -0.0332 822 TYR 79 CZ 0.0249 0.0102 -0.0344 823 TYR 79 OH 0.0292 0.0118 -0.0408 824 TYR 79 H 0.0025 0.0094 -0.0208 825 TYR 79 HA 0.0011 0.0093 -0.0198 826 TYR 79 HB2 0.0145 0.0033 -0.0107 827 TYR 79 HB3 0.0103 0.0052 -0.0137 828 TYR 79 HD1 0.0217 0.0051 -0.0191 829 TYR 79 HD2 0.0119 0.0095 -0.0260 830 TYR 79 HE1 0.0294 0.0078 -0.0303 831 TYR 79 HE2 0.0195 0.0123 -0.0372 832 TYR 79 HH 0.0258 0.0138 -0.0445 833 SER 80 N -0.0069 0.0033 -0.0134 834 SER 80 CA -0.0080 0.0029 -0.0126 835 SER 80 C -0.0094 0.0030 -0.0119 836 SER 80 O -0.0093 0.0032 -0.0120 837 SER 80 CB -0.0084 0.0039 -0.0130 838 SER 80 OG -0.0094 0.0035 -0.0122 839 SER 80 H -0.0070 0.0043 -0.0140 840 SER 80 HA -0.0076 0.0018 -0.0121 841 SER 80 HB2 -0.0074 0.0039 -0.0135 842 SER 80 HB3 -0.0088 0.0050 -0.0134 843 SER 80 HG -0.0088 0.0027 -0.0120 844 GLN 81 N -0.0027 -0.0060 -0.0035 845 GLN 81 CA -0.0055 -0.0058 -0.0014 846 GLN 81 C -0.0064 -0.0026 -0.0012 847 GLN 81 O -0.0052 -0.0001 -0.0026 848 GLN 81 CB -0.0069 -0.0060 -0.0001 849 GLN 81 CG -0.0098 -0.0063 0.0022 850 GLN 81 CD -0.0113 -0.0063 0.0035 851 GLN 81 OE1 -0.0108 -0.0047 0.0027 852 GLN 81 NE2 -0.0133 -0.0080 0.0054 853 GLN 81 H -0.0020 -0.0058 -0.0042 854 GLN 81 HA -0.0058 -0.0078 -0.0007 855 GLN 81 HB2 -0.0061 -0.0081 -0.0005 856 GLN 81 HB3 -0.0068 -0.0038 -0.0007 857 GLN 81 HG2 -0.0106 -0.0043 0.0025 858 GLN 81 HG3 -0.0099 -0.0086 0.0028 859 GLN 81 HE21 -0.0136 -0.0092 0.0058 860 GLN 81 HE22 -0.0144 -0.0079 0.0062 861 GLU 82 N -0.0173 0.0074 0.0053 862 GLU 82 CA -0.0183 0.0095 0.0043 863 GLU 82 C -0.0161 0.0097 0.0025 864 GLU 82 O -0.0165 0.0112 0.0015 865 GLU 82 CB -0.0199 0.0118 0.0036 866 GLU 82 CG -0.0210 0.0140 0.0026 867 GLU 82 CD -0.0227 0.0161 0.0021 868 GLU 82 OE1 -0.0217 0.0172 0.0004 869 GLU 82 OE2 -0.0250 0.0168 0.0033 870 GLU 82 H -0.0175 0.0059 0.0067 871 GLU 82 HA -0.0194 0.0090 0.0055 872 GLU 82 HB2 -0.0214 0.0115 0.0050 873 GLU 82 HB3 -0.0187 0.0121 0.0024 874 GLU 82 HG2 -0.0196 0.0145 0.0011 875 GLU 82 HG3 -0.0222 0.0137 0.0037 876 GLU 83 N -0.0113 0.0101 -0.0029 877 GLU 83 CA -0.0055 0.0082 -0.0081 878 GLU 83 C -0.0007 0.0015 -0.0048 879 GLU 83 O 0.0015 -0.0007 -0.0046 880 GLU 83 CB -0.0032 0.0104 -0.0145 881 GLU 83 CG 0.0029 0.0087 -0.0203 882 GLU 83 CD 0.0045 0.0116 -0.0266 883 GLU 83 OE1 0.0066 0.0096 -0.0265 884 GLU 83 OE2 0.0036 0.0160 -0.0319 885 GLU 83 H -0.0113 0.0081 -0.0001 886 GLU 83 HA -0.0064 0.0102 -0.0099 887 GLU 83 HB2 -0.0067 0.0152 -0.0167 888 GLU 83 HB3 -0.0026 0.0086 -0.0126 889 GLU 83 HG2 0.0066 0.0039 -0.0183 890 GLU 83 HG3 0.0025 0.0101 -0.0218 891 ALA 84 N -0.0010 0.0003 -0.0028 892 ALA 84 CA 0.0028 -0.0050 0.0001 893 ALA 84 C 0.0011 -0.0057 0.0074 894 ALA 84 O 0.0032 -0.0093 0.0109 895 ALA 84 CB 0.0050 -0.0066 -0.0026 896 ALA 84 H -0.0031 0.0028 -0.0034 897 ALA 84 HA 0.0051 -0.0073 -0.0012 898 ALA 84 HB1 0.0077 -0.0104 -0.0003 899 ALA 84 HB2 0.0025 -0.0041 -0.0016 900 ALA 84 HB3 0.0063 -0.0063 -0.0077 901 GLU 85 N 0.0004 -0.0051 0.0120 902 GLU 85 CA -0.0018 -0.0055 0.0157 903 GLU 85 C -0.0039 -0.0015 0.0171 904 GLU 85 O -0.0045 0.0019 0.0163 905 GLU 85 CB -0.0018 -0.0056 0.0158 906 GLU 85 CG -0.0038 -0.0069 0.0196 907 GLU 85 CD -0.0065 -0.0035 0.0222 908 GLU 85 OE1 -0.0072 -0.0007 0.0219 909 GLU 85 OE2 -0.0079 -0.0035 0.0244 910 GLU 85 H 0.0002 -0.0025 0.0110 911 GLU 85 HA -0.0020 -0.0084 0.0174 912 GLU 85 HB2 0.0000 -0.0079 0.0140 913 GLU 85 HB3 -0.0020 -0.0025 0.0146 914 GLU 85 HG2 -0.0038 -0.0094 0.0207 915 GLU 85 HG3 -0.0033 -0.0081 0.0193 916 ARG 86 N -0.0044 0.0031 0.0418 917 ARG 86 CA -0.0046 -0.0014 0.0367 918 ARG 86 C 0.0017 -0.0008 0.0363 919 ARG 86 O 0.0082 0.0018 0.0381 920 ARG 86 CB -0.0047 -0.0067 0.0308 921 ARG 86 CG 0.0013 -0.0066 0.0299 922 ARG 86 CD 0.0100 -0.0057 0.0294 923 ARG 86 NE 0.0153 -0.0051 0.0291 924 ARG 86 CZ 0.0230 -0.0033 0.0298 925 ARG 86 NH1 0.0267 -0.0021 0.0305 926 ARG 86 NH2 0.0271 -0.0027 0.0297 927 ARG 86 H 0.0006 0.0044 0.0424 928 ARG 86 HA -0.0102 -0.0017 0.0375 929 ARG 86 HB2 -0.0034 -0.0098 0.0271 930 ARG 86 HB3 -0.0106 -0.0078 0.0306 931 ARG 86 HG2 0.0003 -0.0104 0.0258 932 ARG 86 HG3 0.0002 -0.0035 0.0336 933 ARG 86 HD2 0.0110 -0.0021 0.0332 934 ARG 86 HD3 0.0112 -0.0091 0.0253 935 ARG 86 HE 0.0127 -0.0061 0.0284 936 ARG 86 HH11 0.0240 -0.0024 0.0306 937 ARG 86 HH12 0.0326 -0.0007 0.0310 938 ARG 86 HH21 0.0245 -0.0037 0.0291 939 ARG 86 HH22 0.0329 -0.0014 0.0302 940 ALA 87 N 0.0037 -0.0039 0.0463 941 ALA 87 CA 0.0091 -0.0035 0.0515 942 ALA 87 C 0.0142 -0.0110 0.0382 943 ALA 87 O 0.0119 -0.0110 0.0364 944 ALA 87 CB -0.0041 0.0037 0.0577 945 ALA 87 H -0.0067 -0.0030 0.0404 946 ALA 87 HA 0.0188 -0.0029 0.0604 947 ALA 87 HB1 -0.0139 0.0031 0.0489 948 ALA 87 HB2 -0.0077 0.0089 0.0671 949 ALA 87 HB3 -0.0003 0.0039 0.0613 950 ALA 88 N 0.0267 -0.0138 0.0376 951 ALA 88 CA 0.0275 -0.0197 0.0387 952 ALA 88 C 0.0257 -0.0086 0.0370 953 ALA 88 O 0.0180 -0.0039 0.0448 954 ALA 88 CB 0.0213 -0.0288 0.0497 955 ALA 88 H 0.0214 -0.0064 0.0415 956 ALA 88 HA 0.0344 -0.0257 0.0323 957 ALA 88 HB1 0.0143 -0.0229 0.0562 958 ALA 88 HB2 0.0227 -0.0366 0.0507 959 ALA 88 HB3 0.0223 -0.0333 0.0501 960 GLY 89 N 0.0320 0.0067 0.0217 961 GLY 89 CA 0.0240 0.0214 0.0173 962 GLY 89 C 0.0188 0.0220 0.0009 963 GLY 89 O 0.0195 0.0183 -0.0022 964 GLY 89 H 0.0335 -0.0019 0.0138 965 GLY 89 HA2 0.0231 0.0291 0.0254 966 GLY 89 HA3 0.0226 0.0247 0.0176 967 MET 90 N 0.0752 0.0563 -0.0608 968 MET 90 CA 0.0495 0.0499 -0.0435 969 MET 90 C 0.0443 0.0652 -0.0485 970 MET 90 O 0.0308 0.0909 -0.0544 971 MET 90 CB 0.0227 0.0576 -0.0328 972 MET 90 CG -0.0042 0.0464 -0.0124 973 MET 90 SD -0.0202 0.0604 -0.0109 974 MET 90 CE -0.0512 0.0448 0.0141 975 MET 90 H 0.0914 0.0399 -0.0611 976 MET 90 HA 0.0544 0.0268 -0.0342 977 MET 90 HB2 0.0288 0.0488 -0.0316 978 MET 90 HB3 0.0166 0.0810 -0.0416 979 MET 90 HG2 0.0018 0.0229 -0.0036 980 MET 90 HG3 -0.0203 0.0518 -0.0064 981 MET 90 HE1 -0.0444 0.0213 0.0224 982 MET 90 HE2 -0.0632 0.0515 0.0171 983 MET 90 HE3 -0.0646 0.0519 0.0177 984 GLY 91 N -0.0191 0.0441 -0.0309 985 GLY 91 CA -0.0289 0.0320 -0.0094 986 GLY 91 C -0.0370 0.0250 -0.0054 987 GLY 91 O -0.0550 0.0118 -0.0080 988 GLY 91 H -0.0267 0.0416 -0.0467 989 GLY 91 HA2 -0.0184 0.0367 0.0062 990 GLY 91 HA3 -0.0411 0.0232 -0.0116 991 SER 92 N -0.0220 0.0265 -0.0113 992 SER 92 CA -0.0190 0.0204 0.0025 993 SER 92 C -0.0175 0.0211 0.0147 994 SER 92 O -0.0192 0.0333 0.0192 995 SER 92 CB -0.0199 0.0290 0.0076 996 SER 92 OG -0.0213 0.0282 -0.0041 997 SER 92 H -0.0240 0.0373 -0.0114 998 SER 92 HA -0.0172 0.0087 0.0003 999 SER 92 HB2 -0.0218 0.0407 0.0099 1000 SER 92 HB3 -0.0177 0.0240 0.0178 1001 SER 92 HG -0.0218 0.0242 -0.0131 1002 TYR 93 N 0.0285 -0.0293 0.0526 1003 TYR 93 CA 0.0182 -0.0223 0.0435 1004 TYR 93 C 0.0231 -0.0336 0.0644 1005 TYR 93 O 0.0400 -0.0457 0.0807 1006 TYR 93 CB 0.0351 -0.0138 0.0166 1007 TYR 93 CG 0.0240 -0.0042 0.0026 1008 TYR 93 CD1 0.0033 0.0092 -0.0143 1009 TYR 93 CD2 0.0341 -0.0085 0.0061 1010 TYR 93 CE1 -0.0071 0.0181 -0.0272 1011 TYR 93 CE2 0.0237 0.0003 -0.0067 1012 TYR 93 CZ 0.0032 0.0136 -0.0233 1013 TYR 93 OH -0.0072 0.0224 -0.0361 1014 TYR 93 H 0.0490 -0.0351 0.0537 1015 TYR 93 HA -0.0040 -0.0155 0.0412 1016 TYR 93 HB2 0.0348 -0.0074 0.0036 1017 TYR 93 HB3 0.0568 -0.0209 0.0199 1018 TYR 93 HD1 -0.0047 0.0127 -0.0173 1019 TYR 93 HD2 0.0502 -0.0189 0.0192 1020 TYR 93 HE1 -0.0232 0.0285 -0.0403 1021 TYR 93 HE2 0.0318 -0.0031 -0.0037 1022 TYR 93 HH -0.0121 0.0173 -0.0228 1023 VAL 94 N 0.0339 -0.0230 0.0085 1024 VAL 94 CA -0.0007 -0.0231 -0.0258 1025 VAL 94 C -0.0640 -0.0151 -0.0192 1026 VAL 94 O -0.0877 -0.0070 0.0264 1027 VAL 94 CB 0.0138 -0.0237 -0.0165 1028 VAL 94 CG1 0.0079 -0.0158 0.0444 1029 VAL 94 CG2 -0.0216 -0.0242 -0.0551 1030 VAL 94 H 0.0585 -0.0224 0.0376 1031 VAL 94 HA 0.0089 -0.0292 -0.0686 1032 VAL 94 HB 0.0573 -0.0299 -0.0274 1033 VAL 94 HG11 0.0184 -0.0165 0.0484 1034 VAL 94 HG12 -0.0348 -0.0094 0.0573 1035 VAL 94 HG13 0.0359 -0.0160 0.0704 1036 VAL 94 HG21 -0.0655 -0.0182 -0.0465 1037 VAL 94 HG22 -0.0110 -0.0245 -0.0478 1038 VAL 94 HG23 -0.0135 -0.0302 -0.0983