1 ASP 28 N 0.0084 -0.0156 -0.0178 2 ASP 28 CA 0.0119 -0.0182 -0.0254 3 ASP 28 C -0.0012 -0.0146 -0.0301 4 ASP 28 O -0.0102 -0.0099 -0.0213 5 ASP 28 CB 0.0215 -0.0197 -0.0157 6 ASP 28 CG 0.0258 -0.0225 -0.0229 7 ASP 28 OD1 0.0334 -0.0270 -0.0333 8 ASP 28 OD2 0.0223 -0.0204 -0.0178 9 ASP 28 H 0.0172 -0.0180 -0.0143 10 ASP 28 HA 0.0173 -0.0218 -0.0348 11 ASP 28 HB2 0.0308 -0.0223 -0.0126 12 ASP 28 HB3 0.0162 -0.0161 -0.0062 13 PRO 29 N -0.0008 -0.0050 -0.0653 14 PRO 29 CA -0.0154 -0.0031 -0.0700 15 PRO 29 C -0.0101 -0.0075 -0.0506 16 PRO 29 O 0.0120 -0.0100 -0.0449 17 PRO 29 CB -0.0062 0.0018 -0.0957 18 PRO 29 CG 0.0067 0.0034 -0.1072 19 PRO 29 CD 0.0169 -0.0016 -0.0862 20 PRO 29 HA -0.0356 -0.0018 -0.0704 21 PRO 29 HB2 0.0065 0.0004 -0.0931 22 PRO 29 HB3 -0.0223 0.0050 -0.1065 23 PRO 29 HG2 0.0221 0.0050 -0.1192 24 PRO 29 HG3 -0.0068 0.0065 -0.1178 25 PRO 29 HD2 0.0361 -0.0037 -0.0819 26 PRO 29 HD3 0.0161 -0.0006 -0.0911 27 ASN 30 N -0.0174 -0.0194 -0.0328 28 ASN 30 CA -0.0207 -0.0182 -0.0186 29 ASN 30 C -0.0119 -0.0124 -0.0084 30 ASN 30 O -0.0026 -0.0075 -0.0043 31 ASN 30 CB -0.0211 -0.0182 -0.0175 32 ASN 30 CG -0.0242 -0.0169 -0.0029 33 ASN 30 OD1 -0.0354 -0.0210 0.0015 34 ASN 30 ND2 -0.0146 -0.0112 0.0044 35 ASN 30 H -0.0243 -0.0235 -0.0381 36 ASN 30 HA -0.0302 -0.0220 -0.0159 37 ASN 30 HB2 -0.0284 -0.0227 -0.0241 38 ASN 30 HB3 -0.0118 -0.0149 -0.0218 39 ASN 30 HD21 -0.0058 -0.0081 0.0002 40 ASN 30 HD22 -0.0164 -0.0103 0.0139 41 ALA 31 N -0.0135 -0.0089 0.0036 42 ALA 31 CA -0.0084 -0.0050 0.0104 43 ALA 31 C -0.0107 -0.0029 0.0148 44 ALA 31 O -0.0072 -0.0035 0.0131 45 ALA 31 CB 0.0012 -0.0054 0.0084 46 ALA 31 H -0.0168 -0.0100 0.0020 47 ALA 31 HA -0.0099 -0.0032 0.0139 48 ALA 31 HB1 0.0048 -0.0024 0.0135 49 ALA 31 HB2 0.0028 -0.0071 0.0048 50 ALA 31 HB3 0.0028 -0.0069 0.0053 51 GLU 32 N -0.0080 0.0002 0.0145 52 GLU 32 CA -0.0075 0.0025 0.0161 53 GLU 32 C -0.0050 0.0058 0.0183 54 GLU 32 O -0.0034 0.0078 0.0197 55 GLU 32 CB -0.0119 0.0035 0.0171 56 GLU 32 CG -0.0147 0.0053 0.0186 57 GLU 32 CD -0.0189 0.0063 0.0196 58 GLU 32 OE1 -0.0192 0.0091 0.0217 59 GLU 32 OE2 -0.0221 0.0042 0.0183 60 GLU 32 H -0.0107 0.0002 0.0147 61 GLU 32 HA -0.0059 0.0011 0.0150 62 GLU 32 HB2 -0.0115 0.0051 0.0183 63 GLU 32 HB3 -0.0136 0.0011 0.0154 64 GLU 32 HG2 -0.0153 0.0036 0.0174 65 GLU 32 HG3 -0.0130 0.0076 0.0202 66 PHE 33 N -0.0018 0.0071 0.0213 67 PHE 33 CA 0.0003 0.0097 0.0232 68 PHE 33 C 0.0040 0.0094 0.0216 69 PHE 33 O 0.0045 0.0072 0.0192 70 PHE 33 CB -0.0015 0.0109 0.0250 71 PHE 33 CG -0.0025 0.0091 0.0236 72 PHE 33 CD1 -0.0001 0.0090 0.0226 73 PHE 33 CD2 -0.0059 0.0075 0.0231 74 PHE 33 CE1 -0.0010 0.0074 0.0213 75 PHE 33 CE2 -0.0068 0.0058 0.0218 76 PHE 33 CZ -0.0043 0.0058 0.0209 77 PHE 33 H -0.0029 0.0058 0.0204 78 PHE 33 HA 0.0006 0.0110 0.0243 79 PHE 33 HB2 0.0003 0.0127 0.0262 80 PHE 33 HB3 -0.0039 0.0114 0.0263 81 PHE 33 HD1 0.0026 0.0103 0.0230 82 PHE 33 HD2 -0.0078 0.0075 0.0238 83 PHE 33 HE1 0.0010 0.0073 0.0206 84 PHE 33 HE2 -0.0095 0.0046 0.0214 85 PHE 33 HZ -0.0051 0.0045 0.0198 86 ASP 34 N 0.0026 0.0114 0.0241 87 ASP 34 CA 0.0026 0.0104 0.0246 88 ASP 34 C 0.0030 0.0093 0.0237 89 ASP 34 O 0.0032 0.0090 0.0232 90 ASP 34 CB 0.0024 0.0099 0.0259 91 ASP 34 CG 0.0023 0.0089 0.0265 92 ASP 34 OD1 0.0026 0.0078 0.0261 93 ASP 34 OD2 0.0020 0.0093 0.0274 94 ASP 34 H 0.0026 0.0113 0.0241 95 ASP 34 HA 0.0025 0.0107 0.0247 96 ASP 34 HB2 0.0021 0.0107 0.0265 97 ASP 34 HB3 0.0025 0.0095 0.0257 98 PRO 35 N 0.0068 0.0128 0.0191 99 PRO 35 CA 0.0085 0.0133 0.0197 100 PRO 35 C 0.0102 0.0138 0.0205 101 PRO 35 O 0.0117 0.0143 0.0209 102 PRO 35 CB 0.0090 0.0137 0.0178 103 PRO 35 CG 0.0084 0.0137 0.0163 104 PRO 35 CD 0.0067 0.0130 0.0170 105 PRO 35 HA 0.0082 0.0131 0.0208 106 PRO 35 HB2 0.0104 0.0142 0.0178 107 PRO 35 HB3 0.0082 0.0134 0.0176 108 PRO 35 HG2 0.0095 0.0141 0.0161 109 PRO 35 HG3 0.0081 0.0138 0.0149 110 PRO 35 HD2 0.0067 0.0131 0.0167 111 PRO 35 HD3 0.0054 0.0126 0.0163 112 ASP 36 N 0.0016 0.0055 0.0233 113 ASP 36 CA 0.0010 0.0026 0.0241 114 ASP 36 C 0.0011 0.0019 0.0237 115 ASP 36 O 0.0012 -0.0006 0.0231 116 ASP 36 CB -0.0003 0.0022 0.0269 117 ASP 36 CG -0.0010 -0.0007 0.0279 118 ASP 36 OD1 -0.0008 -0.0027 0.0272 119 ASP 36 OD2 -0.0017 -0.0010 0.0294 120 ASP 36 H 0.0012 0.0071 0.0244 121 ASP 36 HA 0.0014 0.0012 0.0228 122 ASP 36 HB2 -0.0003 0.0026 0.0271 123 ASP 36 HB3 -0.0007 0.0038 0.0281 124 LEU 37 N -0.0008 0.0043 0.0263 125 LEU 37 CA -0.0006 0.0040 0.0256 126 LEU 37 C 0.0005 0.0043 0.0232 127 LEU 37 O 0.0014 0.0058 0.0224 128 LEU 37 CB -0.0007 0.0056 0.0270 129 LEU 37 CG -0.0019 0.0051 0.0294 130 LEU 37 CD1 -0.0026 0.0027 0.0294 131 LEU 37 CD2 -0.0024 0.0053 0.0308 132 LEU 37 H -0.0005 0.0058 0.0268 133 LEU 37 HA -0.0013 0.0023 0.0258 134 LEU 37 HB2 -0.0002 0.0072 0.0271 135 LEU 37 HB3 -0.0003 0.0056 0.0262 136 LEU 37 HG -0.0018 0.0063 0.0301 137 LEU 37 HD11 -0.0035 0.0024 0.0310 138 LEU 37 HD12 -0.0027 0.0015 0.0286 139 LEU 37 HD13 -0.0023 0.0027 0.0285 140 LEU 37 HD21 -0.0033 0.0049 0.0324 141 LEU 37 HD22 -0.0019 0.0070 0.0309 142 LEU 37 HD23 -0.0025 0.0041 0.0301 143 PRO 38 N -0.0021 0.0040 0.0215 144 PRO 38 CA -0.0015 0.0043 0.0191 145 PRO 38 C 0.0003 0.0062 0.0187 146 PRO 38 O 0.0009 0.0070 0.0192 147 PRO 38 CB -0.0024 0.0032 0.0175 148 PRO 38 CG -0.0038 0.0018 0.0191 149 PRO 38 CD -0.0033 0.0027 0.0215 150 PRO 38 HA -0.0018 0.0039 0.0187 151 PRO 38 HB2 -0.0016 0.0040 0.0170 152 PRO 38 HB3 -0.0028 0.0026 0.0160 153 PRO 38 HG2 -0.0041 0.0014 0.0185 154 PRO 38 HG3 -0.0048 0.0008 0.0189 155 PRO 38 HD2 -0.0028 0.0032 0.0219 156 PRO 38 HD3 -0.0043 0.0017 0.0227 157 GLY 39 N 0.0008 0.0074 0.0185 158 GLY 39 CA 0.0024 0.0092 0.0181 159 GLY 39 C 0.0026 0.0109 0.0201 160 GLY 39 O 0.0036 0.0123 0.0203 161 GLY 39 H 0.0007 0.0070 0.0180 162 GLY 39 HA2 0.0033 0.0096 0.0168 163 GLY 39 HA3 0.0025 0.0089 0.0175 164 GLY 40 N 0.0018 0.0108 0.0227 165 GLY 40 CA 0.0020 0.0115 0.0238 166 GLY 40 C 0.0021 0.0118 0.0253 167 GLY 40 O 0.0022 0.0126 0.0263 168 GLY 40 H 0.0015 0.0098 0.0224 169 GLY 40 HA2 0.0018 0.0108 0.0241 170 GLY 40 HA3 0.0022 0.0126 0.0233 171 GLY 41 N 0.0020 0.0106 0.0248 172 GLY 41 CA 0.0019 0.0109 0.0261 173 GLY 41 C 0.0035 0.0129 0.0257 174 GLY 41 O 0.0037 0.0136 0.0269 175 GLY 41 H 0.0015 0.0096 0.0233 176 GLY 41 HA2 0.0011 0.0097 0.0255 177 GLY 41 HA3 0.0015 0.0109 0.0281 178 LEU 42 N 0.0024 0.0148 0.0236 179 LEU 42 CA 0.0034 0.0170 0.0232 180 LEU 42 C 0.0035 0.0176 0.0217 181 LEU 42 O 0.0043 0.0195 0.0214 182 LEU 42 CB 0.0036 0.0177 0.0221 183 LEU 42 CG 0.0035 0.0172 0.0234 184 LEU 42 CD1 0.0037 0.0180 0.0221 185 LEU 42 CD2 0.0042 0.0181 0.0257 186 LEU 42 H 0.0019 0.0140 0.0225 187 LEU 42 HA 0.0039 0.0177 0.0248 188 LEU 42 HB2 0.0030 0.0170 0.0205 189 LEU 42 HB3 0.0043 0.0193 0.0218 190 LEU 42 HG 0.0027 0.0156 0.0236 191 LEU 42 HD11 0.0037 0.0176 0.0231 192 LEU 42 HD12 0.0045 0.0196 0.0218 193 LEU 42 HD13 0.0032 0.0173 0.0205 194 LEU 42 HD21 0.0050 0.0197 0.0256 195 LEU 42 HD22 0.0042 0.0177 0.0266 196 LEU 42 HD23 0.0040 0.0174 0.0267 197 HIS 43 N 0.0063 0.0119 0.0184 198 HIS 43 CA 0.0067 0.0114 0.0155 199 HIS 43 C 0.0046 0.0095 0.0155 200 HIS 43 O 0.0026 0.0076 0.0151 201 HIS 43 CB 0.0068 0.0106 0.0127 202 HIS 43 CG 0.0087 0.0123 0.0126 203 HIS 43 ND1 0.0111 0.0140 0.0113 204 HIS 43 CD2 0.0084 0.0124 0.0136 205 HIS 43 CE1 0.0123 0.0151 0.0115 206 HIS 43 NE2 0.0107 0.0141 0.0129 207 HIS 43 H 0.0047 0.0108 0.0192 208 HIS 43 HA 0.0083 0.0127 0.0152 209 HIS 43 HB2 0.0051 0.0091 0.0127 210 HIS 43 HB3 0.0073 0.0104 0.0106 211 HIS 43 HD1 0.0119 0.0144 0.0104 212 HIS 43 HD2 0.0068 0.0112 0.0147 213 HIS 43 HE1 0.0142 0.0165 0.0105 214 HIS 43 HE2 0.0112 0.0148 0.0137 215 ARG 44 N 0.0080 0.0094 0.0151 216 ARG 44 CA 0.0051 0.0079 0.0145 217 ARG 44 C 0.0063 0.0072 0.0114 218 ARG 44 O 0.0093 0.0084 0.0107 219 ARG 44 CB 0.0042 0.0086 0.0176 220 ARG 44 CG 0.0038 0.0098 0.0213 221 ARG 44 CD 0.0032 0.0106 0.0241 222 ARG 44 NE 0.0030 0.0119 0.0278 223 ARG 44 CZ 0.0021 0.0125 0.0307 224 ARG 44 NH1 0.0013 0.0121 0.0305 225 ARG 44 NH2 0.0019 0.0137 0.0339 226 ARG 44 H 0.0102 0.0105 0.0154 227 ARG 44 HA 0.0029 0.0067 0.0141 228 ARG 44 HB2 0.0061 0.0094 0.0174 229 ARG 44 HB3 0.0017 0.0074 0.0173 230 ARG 44 HG2 0.0016 0.0089 0.0215 231 ARG 44 HG3 0.0062 0.0109 0.0214 232 ARG 44 HD2 0.0052 0.0114 0.0237 233 ARG 44 HD3 0.0007 0.0094 0.0239 234 ARG 44 HE 0.0036 0.0122 0.0280 235 ARG 44 HH11 0.0014 0.0113 0.0281 236 ARG 44 HH12 0.0007 0.0126 0.0327 237 ARG 44 HH21 0.0025 0.0140 0.0343 238 ARG 44 HH22 0.0012 0.0142 0.0362 239 CYS 45 N 0.0052 0.0039 0.0076 240 CYS 45 CA 0.0058 0.0033 0.0047 241 CYS 45 C 0.0045 0.0033 0.0055 242 CYS 45 O 0.0015 0.0032 0.0060 243 CYS 45 CB 0.0042 0.0025 0.0017 244 CYS 45 SG 0.0044 0.0017 -0.0019 245 CYS 45 H 0.0031 0.0038 0.0082 246 CYS 45 HA 0.0085 0.0034 0.0044 247 CYS 45 HB2 0.0056 0.0025 0.0011 248 CYS 45 HB3 0.0017 0.0024 0.0022 249 LEU 46 N 0.0070 0.0030 0.0045 250 LEU 46 CA 0.0052 0.0034 0.0045 251 LEU 46 C 0.0026 0.0026 0.0018 252 LEU 46 O -0.0002 0.0034 0.0022 253 LEU 46 CB 0.0078 0.0029 0.0045 254 LEU 46 CG 0.0104 0.0036 0.0073 255 LEU 46 CD1 0.0130 0.0029 0.0070 256 LEU 46 CD2 0.0088 0.0054 0.0104 257 LEU 46 H 0.0094 0.0023 0.0041 258 LEU 46 HA 0.0040 0.0046 0.0067 259 LEU 46 HB2 0.0091 0.0016 0.0024 260 LEU 46 HB3 0.0064 0.0031 0.0045 261 LEU 46 HG 0.0117 0.0034 0.0073 262 LEU 46 HD11 0.0143 0.0017 0.0049 263 LEU 46 HD12 0.0148 0.0035 0.0090 264 LEU 46 HD13 0.0117 0.0031 0.0067 265 LEU 46 HD21 0.0072 0.0059 0.0107 266 LEU 46 HD22 0.0074 0.0057 0.0103 267 LEU 46 HD23 0.0108 0.0059 0.0123 268 ALA 47 N 0.0078 -0.0003 -0.0044 269 ALA 47 CA 0.0061 -0.0002 -0.0070 270 ALA 47 C 0.0034 0.0011 -0.0066 271 ALA 47 O 0.0015 0.0014 -0.0083 272 ALA 47 CB 0.0074 -0.0012 -0.0091 273 ALA 47 H 0.0093 -0.0009 -0.0041 274 ALA 47 HA 0.0060 -0.0003 -0.0078 275 ALA 47 HB1 0.0062 -0.0011 -0.0110 276 ALA 47 HB2 0.0075 -0.0011 -0.0083 277 ALA 47 HB3 0.0093 -0.0020 -0.0094 278 CYS 48 N 0.0002 0.0023 0.0011 279 CYS 48 CA -0.0027 0.0024 0.0015 280 CYS 48 C -0.0040 0.0034 0.0046 281 CYS 48 O -0.0067 0.0036 0.0051 282 CYS 48 CB -0.0024 0.0021 0.0005 283 CYS 48 SG -0.0016 0.0009 -0.0033 284 CYS 48 H 0.0021 0.0027 0.0022 285 CYS 48 HA -0.0043 0.0020 0.0001 286 CYS 48 HB2 -0.0005 0.0024 0.0014 287 CYS 48 HB3 -0.0046 0.0022 0.0008 288 ALA 49 N -0.0038 0.0030 0.0075 289 ALA 49 CA -0.0050 0.0038 0.0117 290 ALA 49 C -0.0066 0.0039 0.0129 291 ALA 49 O -0.0087 0.0043 0.0158 292 ALA 49 CB -0.0081 0.0036 0.0125 293 ALA 49 H -0.0011 0.0031 0.0069 294 ALA 49 HA -0.0024 0.0045 0.0132 295 ALA 49 HB1 -0.0108 0.0029 0.0109 296 ALA 49 HB2 -0.0070 0.0035 0.0116 297 ALA 49 HB3 -0.0089 0.0042 0.0156 298 ARG 50 N -0.0045 0.0030 0.0110 299 ARG 50 CA -0.0057 0.0030 0.0117 300 ARG 50 C -0.0031 0.0035 0.0133 301 ARG 50 O -0.0002 0.0037 0.0125 302 ARG 50 CB -0.0069 0.0023 0.0086 303 ARG 50 CG -0.0097 0.0017 0.0069 304 ARG 50 CD -0.0108 0.0010 0.0039 305 ARG 50 NE -0.0135 0.0004 0.0022 306 ARG 50 CZ -0.0147 -0.0002 -0.0007 307 ARG 50 NH1 -0.0135 -0.0004 -0.0022 308 ARG 50 NH2 -0.0171 -0.0007 -0.0021 309 ARG 50 H -0.0029 0.0028 0.0093 310 ARG 50 HA -0.0078 0.0030 0.0134 311 ARG 50 HB2 -0.0048 0.0022 0.0069 312 ARG 50 HB3 -0.0077 0.0023 0.0092 313 ARG 50 HG2 -0.0118 0.0017 0.0086 314 ARG 50 HG3 -0.0090 0.0016 0.0062 315 ARG 50 HD2 -0.0087 0.0010 0.0022 316 ARG 50 HD3 -0.0115 0.0011 0.0046 317 ARG 50 HE -0.0144 0.0005 0.0033 318 ARG 50 HH11 -0.0117 0.0000 -0.0012 319 ARG 50 HH12 -0.0143 -0.0008 -0.0043 320 ARG 50 HH21 -0.0181 -0.0007 -0.0011 321 ARG 50 HH22 -0.0179 -0.0012 -0.0043 322 TYR 51 N -0.0039 0.0030 0.0169 323 TYR 51 CA -0.0022 0.0044 0.0173 324 TYR 51 C -0.0022 0.0037 0.0145 325 TYR 51 O -0.0043 0.0019 0.0137 326 TYR 51 CB -0.0032 0.0044 0.0205 327 TYR 51 CG -0.0035 0.0049 0.0235 328 TYR 51 CD1 -0.0059 0.0033 0.0244 329 TYR 51 CD2 -0.0015 0.0069 0.0253 330 TYR 51 CE1 -0.0062 0.0037 0.0271 331 TYR 51 CE2 -0.0018 0.0073 0.0280 332 TYR 51 CZ -0.0042 0.0057 0.0288 333 TYR 51 OH -0.0045 0.0061 0.0315 334 TYR 51 H -0.0058 0.0016 0.0174 335 TYR 51 HA -0.0002 0.0060 0.0175 336 TYR 51 HB2 -0.0052 0.0028 0.0203 337 TYR 51 HB3 -0.0019 0.0055 0.0209 338 TYR 51 HD1 -0.0075 0.0016 0.0230 339 TYR 51 HD2 0.0004 0.0082 0.0246 340 TYR 51 HE1 -0.0081 0.0024 0.0278 341 TYR 51 HE2 -0.0002 0.0089 0.0293 342 TYR 51 HH -0.0062 0.0051 0.0327 343 PHE 52 N -0.0001 0.0046 0.0119 344 PHE 52 CA 0.0003 0.0043 0.0097 345 PHE 52 C 0.0016 0.0053 0.0112 346 PHE 52 O 0.0033 0.0067 0.0130 347 PHE 52 CB 0.0021 0.0044 0.0068 348 PHE 52 CG 0.0009 0.0034 0.0052 349 PHE 52 CD1 0.0013 0.0038 0.0061 350 PHE 52 CD2 -0.0006 0.0020 0.0028 351 PHE 52 CE1 0.0002 0.0029 0.0047 352 PHE 52 CE2 -0.0017 0.0010 0.0013 353 PHE 52 CZ -0.0013 0.0015 0.0023 354 PHE 52 H 0.0016 0.0056 0.0125 355 PHE 52 HA -0.0018 0.0031 0.0091 356 PHE 52 HB2 0.0042 0.0056 0.0074 357 PHE 52 HB3 0.0024 0.0041 0.0053 358 PHE 52 HD1 0.0025 0.0049 0.0081 359 PHE 52 HD2 -0.0009 0.0016 0.0020 360 PHE 52 HE1 0.0005 0.0032 0.0054 361 PHE 52 HE2 -0.0028 -0.0001 -0.0006 362 PHE 52 HZ -0.0021 0.0007 0.0011 363 ILE 53 N 0.0006 0.0051 0.0093 364 ILE 53 CA 0.0016 0.0061 0.0100 365 ILE 53 C 0.0046 0.0080 0.0092 366 ILE 53 O 0.0058 0.0094 0.0107 367 ILE 53 CB 0.0003 0.0046 0.0084 368 ILE 53 CG1 0.0008 0.0038 0.0049 369 ILE 53 CG2 -0.0026 0.0029 0.0098 370 ILE 53 CD1 -0.0003 0.0024 0.0031 371 ILE 53 H -0.0006 0.0037 0.0078 372 ILE 53 HA 0.0010 0.0065 0.0125 373 ILE 53 HB 0.0013 0.0055 0.0090 374 ILE 53 HG12 -0.0001 0.0030 0.0043 375 ILE 53 HG13 0.0029 0.0051 0.0040 376 ILE 53 HG21 -0.0036 0.0021 0.0095 377 ILE 53 HG22 -0.0029 0.0035 0.0123 378 ILE 53 HG23 -0.0035 0.0019 0.0086 379 ILE 53 HD11 0.0007 0.0033 0.0035 380 ILE 53 HD12 0.0001 0.0019 0.0006 381 ILE 53 HD13 -0.0024 0.0011 0.0039 382 ASP 54 N 0.0051 0.0076 0.0060 383 ASP 54 CA 0.0080 0.0095 0.0048 384 ASP 54 C 0.0089 0.0097 0.0036 385 ASP 54 O 0.0074 0.0080 0.0027 386 ASP 54 CB 0.0089 0.0090 0.0021 387 ASP 54 CG 0.0119 0.0109 0.0008 388 ASP 54 OD1 0.0131 0.0127 0.0023 389 ASP 54 OD2 0.0130 0.0108 -0.0016 390 ASP 54 H 0.0040 0.0062 0.0051 391 ASP 54 HA 0.0089 0.0111 0.0067 392 ASP 54 HB2 0.0081 0.0087 0.0030 393 ASP 54 HB3 0.0080 0.0074 0.0002 394 SER 55 N 0.0100 0.0114 0.0025 395 SER 55 CA 0.0109 0.0116 0.0015 396 SER 55 C 0.0111 0.0098 -0.0016 397 SER 55 O 0.0106 0.0089 -0.0024 398 SER 55 CB 0.0135 0.0141 0.0020 399 SER 55 OG 0.0145 0.0144 0.0010 400 SER 55 H 0.0112 0.0128 0.0031 401 SER 55 HA 0.0095 0.0112 0.0029 402 SER 55 HB2 0.0132 0.0152 0.0043 403 SER 55 HB3 0.0149 0.0147 0.0009 404 SER 55 HG 0.0156 0.0141 -0.0010 405 THR 56 N 0.0117 0.0105 -0.0044 406 THR 56 CA 0.0121 0.0088 -0.0072 407 THR 56 C 0.0098 0.0061 -0.0072 408 THR 56 O 0.0096 0.0048 -0.0086 409 THR 56 CB 0.0132 0.0087 -0.0091 410 THR 56 OG1 0.0152 0.0112 -0.0089 411 THR 56 CG2 0.0139 0.0071 -0.0122 412 THR 56 H 0.0121 0.0112 -0.0040 413 THR 56 HA 0.0132 0.0095 -0.0080 414 THR 56 HB 0.0120 0.0077 -0.0084 415 THR 56 HG1 0.0146 0.0118 -0.0072 416 THR 56 HG21 0.0146 0.0071 -0.0135 417 THR 56 HG22 0.0151 0.0081 -0.0129 418 THR 56 HG23 0.0124 0.0052 -0.0124 419 ASN 57 N 0.0088 0.0053 -0.0050 420 ASN 57 CA 0.0066 0.0033 -0.0049 421 ASN 57 C 0.0061 0.0033 -0.0039 422 ASN 57 O 0.0049 0.0018 -0.0049 423 ASN 57 CB 0.0049 0.0025 -0.0031 424 ASN 57 CG 0.0045 0.0015 -0.0047 425 ASN 57 OD1 0.0031 -0.0004 -0.0059 426 ASN 57 ND2 0.0058 0.0027 -0.0046 427 ASN 57 H 0.0090 0.0060 -0.0037 428 ASN 57 HA 0.0064 0.0022 -0.0070 429 ASN 57 HB2 0.0055 0.0039 -0.0015 430 ASN 57 HB3 0.0033 0.0015 -0.0023 431 ASN 57 HD21 0.0070 0.0042 -0.0036 432 ASN 57 HD22 0.0056 0.0021 -0.0056 433 LEU 58 N 0.0065 0.0044 -0.0018 434 LEU 58 CA 0.0062 0.0045 -0.0011 435 LEU 58 C 0.0074 0.0044 -0.0031 436 LEU 58 O 0.0064 0.0035 -0.0037 437 LEU 58 CB 0.0069 0.0061 0.0012 438 LEU 58 CG 0.0070 0.0067 0.0021 439 LEU 58 CD1 0.0091 0.0075 0.0010 440 LEU 58 CD2 0.0051 0.0053 0.0019 441 LEU 58 H 0.0073 0.0053 -0.0011 442 LEU 58 HA 0.0045 0.0035 -0.0008 443 LEU 58 HB2 0.0057 0.0060 0.0025 444 LEU 58 HB3 0.0084 0.0071 0.0010 445 LEU 58 HG 0.0070 0.0075 0.0039 446 LEU 58 HD11 0.0091 0.0079 0.0017 447 LEU 58 HD12 0.0092 0.0067 -0.0009 448 LEU 58 HD13 0.0104 0.0086 0.0013 449 LEU 58 HD21 0.0051 0.0044 0.0001 450 LEU 58 HD22 0.0052 0.0057 0.0027 451 LEU 58 HD23 0.0037 0.0047 0.0029 452 LYS 59 N 0.0070 0.0056 -0.0062 453 LYS 59 CA 0.0071 0.0053 -0.0063 454 LYS 59 C 0.0077 0.0033 -0.0068 455 LYS 59 O 0.0073 0.0024 -0.0064 456 LYS 59 CB 0.0079 0.0068 -0.0073 457 LYS 59 CG 0.0093 0.0069 -0.0088 458 LYS 59 CD 0.0099 0.0085 -0.0095 459 LYS 59 CE 0.0101 0.0083 -0.0097 460 LYS 59 NZ 0.0109 0.0067 -0.0105 461 LYS 59 H 0.0075 0.0066 -0.0068 462 LYS 59 HA 0.0062 0.0054 -0.0053 463 LYS 59 HB2 0.0079 0.0066 -0.0072 464 LYS 59 HB3 0.0074 0.0082 -0.0068 465 LYS 59 HG2 0.0093 0.0071 -0.0088 466 LYS 59 HG3 0.0098 0.0056 -0.0092 467 LYS 59 HD2 0.0094 0.0098 -0.0090 468 LYS 59 HD3 0.0109 0.0087 -0.0106 469 LYS 59 HE2 0.0091 0.0081 -0.0086 470 LYS 59 HE3 0.0105 0.0096 -0.0101 471 LYS 59 HZ1 0.0118 0.0068 -0.0115 472 LYS 59 HZ2 0.0109 0.0066 -0.0105 473 LYS 59 HZ3 0.0106 0.0054 -0.0101 474 THR 60 N 0.0080 0.0024 -0.0079 475 THR 60 CA 0.0084 0.0008 -0.0083 476 THR 60 C 0.0076 -0.0005 -0.0071 477 THR 60 O 0.0076 -0.0017 -0.0070 478 THR 60 CB 0.0093 0.0003 -0.0094 479 THR 60 OG1 0.0101 0.0014 -0.0105 480 THR 60 CG2 0.0097 -0.0015 -0.0099 481 THR 60 H 0.0082 0.0030 -0.0082 482 THR 60 HA 0.0087 0.0008 -0.0087 483 THR 60 HB 0.0089 0.0004 -0.0090 484 THR 60 HG1 0.0098 0.0025 -0.0103 485 THR 60 HG21 0.0103 -0.0018 -0.0106 486 THR 60 HG22 0.0100 -0.0015 -0.0102 487 THR 60 HG23 0.0091 -0.0023 -0.0090 488 HIS 61 N 0.0065 0.0002 -0.0059 489 HIS 61 CA 0.0055 -0.0003 -0.0055 490 HIS 61 C 0.0056 -0.0004 -0.0057 491 HIS 61 O 0.0050 -0.0011 -0.0058 492 HIS 61 CB 0.0050 0.0001 -0.0043 493 HIS 61 CG 0.0042 -0.0002 -0.0038 494 HIS 61 ND1 0.0033 -0.0010 -0.0039 495 HIS 61 CD2 0.0042 0.0003 -0.0031 496 HIS 61 CE1 0.0028 -0.0010 -0.0033 497 HIS 61 NE2 0.0033 -0.0003 -0.0029 498 HIS 61 H 0.0067 0.0007 -0.0054 499 HIS 61 HA 0.0051 -0.0010 -0.0059 500 HIS 61 HB2 0.0047 -0.0002 -0.0043 501 HIS 61 HB3 0.0055 0.0008 -0.0040 502 HIS 61 HD1 0.0031 -0.0015 -0.0043 503 HIS 61 HD2 0.0047 0.0010 -0.0029 504 HIS 61 HE1 0.0021 -0.0016 -0.0032 505 PHE 62 N 0.0055 -0.0011 -0.0060 506 PHE 62 CA 0.0052 -0.0009 -0.0054 507 PHE 62 C 0.0054 -0.0012 -0.0056 508 PHE 62 O 0.0052 -0.0011 -0.0052 509 PHE 62 CB 0.0049 -0.0001 -0.0053 510 PHE 62 CG 0.0047 0.0003 -0.0052 511 PHE 62 CD1 0.0046 0.0000 -0.0046 512 PHE 62 CD2 0.0048 0.0010 -0.0056 513 PHE 62 CE1 0.0044 0.0004 -0.0045 514 PHE 62 CE2 0.0046 0.0014 -0.0055 515 PHE 62 CZ 0.0045 0.0011 -0.0050 516 PHE 62 H 0.0056 -0.0007 -0.0064 517 PHE 62 HA 0.0051 -0.0013 -0.0049 518 PHE 62 HB2 0.0050 0.0003 -0.0057 519 PHE 62 HB3 0.0047 -0.0001 -0.0047 520 PHE 62 HD1 0.0046 -0.0005 -0.0042 521 PHE 62 HD2 0.0049 0.0012 -0.0060 522 PHE 62 HE1 0.0043 0.0001 -0.0041 523 PHE 62 HE2 0.0046 0.0019 -0.0059 524 PHE 62 HZ 0.0044 0.0014 -0.0049 525 ARG 63 N 0.0053 -0.0004 -0.0024 526 ARG 63 CA 0.0059 -0.0014 -0.0009 527 ARG 63 C 0.0066 -0.0026 0.0009 528 ARG 63 O 0.0073 -0.0036 0.0023 529 ARG 63 CB 0.0076 -0.0014 -0.0020 530 ARG 63 CG 0.0067 -0.0003 -0.0035 531 ARG 63 CD 0.0084 -0.0003 -0.0046 532 ARG 63 NE 0.0093 -0.0014 -0.0031 533 ARG 63 CZ 0.0105 -0.0016 -0.0035 534 ARG 63 NH1 0.0110 -0.0008 -0.0055 535 ARG 63 NH2 0.0113 -0.0027 -0.0021 536 ARG 63 H 0.0063 -0.0000 -0.0037 537 ARG 63 HA 0.0044 -0.0011 -0.0004 538 ARG 63 HB2 0.0090 -0.0015 -0.0027 539 ARG 63 HB3 0.0081 -0.0022 -0.0008 540 ARG 63 HG2 0.0053 -0.0002 -0.0027 541 ARG 63 HG3 0.0061 0.0006 -0.0047 542 ARG 63 HD2 0.0077 0.0005 -0.0056 543 ARG 63 HD3 0.0098 -0.0004 -0.0054 544 ARG 63 HE 0.0089 -0.0021 -0.0016 545 ARG 63 HH11 0.0105 0.0001 -0.0066 546 ARG 63 HH12 0.0120 -0.0009 -0.0059 547 ARG 63 HH21 0.0109 -0.0034 -0.0006 548 ARG 63 HH22 0.0123 -0.0029 -0.0024 549 SER 64 N 0.0065 -0.0003 -0.0002 550 SER 64 CA 0.0082 0.0003 0.0012 551 SER 64 C 0.0073 0.0010 0.0024 552 SER 64 O 0.0071 0.0006 0.0016 553 SER 64 CB 0.0104 -0.0003 0.0001 554 SER 64 OG 0.0110 -0.0011 -0.0014 555 SER 64 H 0.0066 -0.0010 -0.0016 556 SER 64 HA 0.0086 0.0008 0.0023 557 SER 64 HB2 0.0100 -0.0007 -0.0006 558 SER 64 HB3 0.0118 0.0001 0.0012 559 SER 64 HG 0.0116 -0.0008 -0.0007 560 LYS 65 N 0.0071 0.0037 0.0062 561 LYS 65 CA 0.0053 0.0047 0.0082 562 LYS 65 C 0.0090 0.0051 0.0081 563 LYS 65 O 0.0077 0.0048 0.0078 564 LYS 65 CB 0.0029 0.0072 0.0127 565 LYS 65 CG 0.0058 0.0095 0.0157 566 LYS 65 CD 0.0104 0.0108 0.0169 567 LYS 65 CE 0.0132 0.0130 0.0198 568 LYS 65 NZ 0.0178 0.0142 0.0208 569 LYS 65 H 0.0072 0.0047 0.0077 570 LYS 65 HA 0.0025 0.0032 0.0063 571 LYS 65 HB2 0.0021 0.0080 0.0141 572 LYS 65 HB3 -0.0005 0.0066 0.0124 573 LYS 65 HG2 0.0036 0.0110 0.0185 574 LYS 65 HG3 0.0067 0.0087 0.0143 575 LYS 65 HD2 0.0127 0.0094 0.0141 576 LYS 65 HD3 0.0095 0.0116 0.0184 577 LYS 65 HE2 0.0109 0.0145 0.0227 578 LYS 65 HE3 0.0139 0.0122 0.0184 579 LYS 65 HZ1 0.0173 0.0150 0.0222 580 LYS 65 HZ2 0.0202 0.0129 0.0182 581 LYS 65 HZ3 0.0195 0.0158 0.0229 582 ASP 66 N 0.0116 0.0075 0.0096 583 ASP 66 CA 0.0158 0.0080 0.0102 584 ASP 66 C 0.0163 0.0055 0.0058 585 ASP 66 O 0.0178 0.0056 0.0060 586 ASP 66 CB 0.0211 0.0088 0.0114 587 ASP 66 CG 0.0254 0.0098 0.0130 588 ASP 66 OD1 0.0257 0.0122 0.0173 589 ASP 66 OD2 0.0285 0.0082 0.0100 590 ASP 66 H 0.0126 0.0073 0.0093 591 ASP 66 HA 0.0145 0.0095 0.0131 592 ASP 66 HB2 0.0204 0.0103 0.0142 593 ASP 66 HB3 0.0226 0.0071 0.0083 594 HIS 67 N 0.0104 0.0026 0.0002 595 HIS 67 CA 0.0105 0.0016 -0.0019 596 HIS 67 C 0.0090 0.0006 -0.0023 597 HIS 67 O 0.0094 0.0002 -0.0034 598 HIS 67 CB 0.0102 0.0010 -0.0027 599 HIS 67 CG 0.0104 0.0001 -0.0048 600 HIS 67 ND1 0.0117 0.0001 -0.0060 601 HIS 67 CD2 0.0099 -0.0007 -0.0057 602 HIS 67 CE1 0.0120 -0.0006 -0.0077 603 HIS 67 NE2 0.0110 -0.0011 -0.0076 604 HIS 67 H 0.0101 0.0028 0.0009 605 HIS 67 HA 0.0119 0.0019 -0.0026 606 HIS 67 HB2 0.0113 0.0017 -0.0025 607 HIS 67 HB3 0.0088 0.0006 -0.0021 608 HIS 67 HD1 0.0123 0.0005 -0.0058 609 HIS 67 HD2 0.0086 -0.0010 -0.0051 610 HIS 67 HE1 0.0130 -0.0008 -0.0090 611 LYS 68 N 0.0074 -0.0007 0.0001 612 LYS 68 CA 0.0044 -0.0018 -0.0004 613 LYS 68 C 0.0043 -0.0010 0.0015 614 LYS 68 O 0.0029 -0.0017 0.0007 615 LYS 68 CB 0.0014 -0.0022 0.0005 616 LYS 68 CG 0.0017 -0.0028 -0.0012 617 LYS 68 CD -0.0013 -0.0032 -0.0001 618 LYS 68 CE -0.0014 -0.0017 0.0035 619 LYS 68 NZ -0.0042 -0.0021 0.0046 620 LYS 68 H 0.0072 -0.0003 0.0013 621 LYS 68 HA 0.0044 -0.0028 -0.0029 622 LYS 68 HB2 0.0013 -0.0011 0.0031 623 LYS 68 HB3 -0.0009 -0.0030 -0.0000 624 LYS 68 HG2 0.0021 -0.0038 -0.0039 625 LYS 68 HG3 0.0040 -0.0020 -0.0007 626 LYS 68 HD2 -0.0036 -0.0040 -0.0006 627 LYS 68 HD3 -0.0012 -0.0037 -0.0015 628 LYS 68 HE2 0.0009 -0.0009 0.0039 629 LYS 68 HE3 -0.0017 -0.0013 0.0048 630 LYS 68 HZ1 -0.0065 -0.0028 0.0042 631 LYS 68 HZ2 -0.0041 -0.0010 0.0070 632 LYS 68 HZ3 -0.0038 -0.0025 0.0033 633 LYS 69 N 0.0062 0.0039 0.0056 634 LYS 69 CA 0.0081 0.0064 0.0094 635 LYS 69 C 0.0126 0.0053 0.0067 636 LYS 69 O 0.0121 0.0057 0.0075 637 LYS 69 CB 0.0110 0.0092 0.0135 638 LYS 69 CG 0.0149 0.0117 0.0171 639 LYS 69 CD 0.0179 0.0140 0.0203 640 LYS 69 CE 0.0223 0.0167 0.0240 641 LYS 69 NZ 0.0251 0.0187 0.0268 642 LYS 69 H 0.0069 0.0044 0.0063 643 LYS 69 HA 0.0042 0.0070 0.0111 644 LYS 69 HB2 0.0076 0.0102 0.0159 645 LYS 69 HB3 0.0138 0.0083 0.0115 646 LYS 69 HG2 0.0182 0.0106 0.0145 647 LYS 69 HG3 0.0122 0.0129 0.0195 648 LYS 69 HD2 0.0144 0.0150 0.0227 649 LYS 69 HD3 0.0202 0.0127 0.0178 650 LYS 69 HE2 0.0258 0.0158 0.0218 651 LYS 69 HE3 0.0200 0.0181 0.0268 652 LYS 69 HZ1 0.0284 0.0205 0.0293 653 LYS 69 HZ2 0.0272 0.0173 0.0240 654 LYS 69 HZ3 0.0218 0.0195 0.0288 655 ARG 70 N 0.0144 0.0064 0.0037 656 ARG 70 CA 0.0191 0.0055 0.0003 657 ARG 70 C 0.0168 0.0015 -0.0036 658 ARG 70 O 0.0190 0.0008 -0.0056 659 ARG 70 CB 0.0235 0.0054 -0.0018 660 ARG 70 CG 0.0288 0.0049 -0.0051 661 ARG 70 CD 0.0317 0.0081 -0.0024 662 ARG 70 NE 0.0367 0.0075 -0.0055 663 ARG 70 CZ 0.0386 0.0087 -0.0049 664 ARG 70 NH1 0.0358 0.0105 -0.0013 665 ARG 70 NH2 0.0432 0.0081 -0.0079 666 ARG 70 H 0.0141 0.0064 0.0039 667 ARG 70 HA 0.0210 0.0077 0.0022 668 ARG 70 HB2 0.0246 0.0081 0.0010 669 ARG 70 HB3 0.0215 0.0030 -0.0039 670 ARG 70 HG2 0.0317 0.0049 -0.0063 671 ARG 70 HG3 0.0276 0.0021 -0.0080 672 ARG 70 HD2 0.0287 0.0080 -0.0011 673 ARG 70 HD3 0.0330 0.0109 0.0005 674 ARG 70 HE 0.0387 0.0062 -0.0081 675 ARG 70 HH11 0.0324 0.0111 0.0010 676 ARG 70 HH12 0.0372 0.0114 -0.0009 677 ARG 70 HH21 0.0453 0.0067 -0.0106 678 ARG 70 HH22 0.0448 0.0089 -0.0076 679 LEU 71 N 0.0117 -0.0003 -0.0056 680 LEU 71 CA 0.0099 -0.0030 -0.0081 681 LEU 71 C 0.0079 -0.0036 -0.0074 682 LEU 71 O 0.0077 -0.0052 -0.0097 683 LEU 71 CB 0.0072 -0.0045 -0.0081 684 LEU 71 CG 0.0088 -0.0040 -0.0088 685 LEU 71 CD1 0.0059 -0.0057 -0.0089 686 LEU 71 CD2 0.0117 -0.0044 -0.0121 687 LEU 71 H 0.0109 0.0003 -0.0039 688 LEU 71 HA 0.0117 -0.0035 -0.0106 689 LEU 71 HB2 0.0053 -0.0040 -0.0056 690 LEU 71 HB3 0.0059 -0.0064 -0.0100 691 LEU 71 HG 0.0099 -0.0021 -0.0067 692 LEU 71 HD11 0.0047 -0.0077 -0.0109 693 LEU 71 HD12 0.0038 -0.0054 -0.0065 694 LEU 71 HD13 0.0070 -0.0054 -0.0093 695 LEU 71 HD21 0.0139 -0.0031 -0.0119 696 LEU 71 HD22 0.0107 -0.0064 -0.0142 697 LEU 71 HD23 0.0127 -0.0042 -0.0125 698 LYS 72 N 0.0065 -0.0015 -0.0023 699 LYS 72 CA 0.0029 -0.0015 0.0002 700 LYS 72 C 0.0068 -0.0003 -0.0001 701 LYS 72 O 0.0048 -0.0017 -0.0014 702 LYS 72 CB 0.0003 0.0008 0.0064 703 LYS 72 CG -0.0037 0.0009 0.0095 704 LYS 72 CD -0.0064 0.0031 0.0155 705 LYS 72 CE -0.0104 0.0032 0.0185 706 LYS 72 NZ -0.0133 0.0051 0.0243 707 LYS 72 H 0.0071 -0.0001 0.0000 708 LYS 72 HA -0.0007 -0.0040 -0.0022 709 LYS 72 HB2 -0.0024 -0.0001 0.0065 710 LYS 72 HB3 0.0040 0.0033 0.0087 711 LYS 72 HG2 -0.0010 0.0021 0.0098 712 LYS 72 HG3 -0.0073 -0.0016 0.0071 713 LYS 72 HD2 -0.0091 0.0020 0.0152 714 LYS 72 HD3 -0.0028 0.0056 0.0179 715 LYS 72 HE2 -0.0077 0.0044 0.0189 716 LYS 72 HE3 -0.0139 0.0006 0.0160 717 LYS 72 HZ1 -0.0101 0.0076 0.0268 718 LYS 72 HZ2 -0.0160 0.0040 0.0240 719 LYS 72 HZ3 -0.0161 0.0052 0.0263 720 GLN 73 N 0.0109 0.0021 0.0008 721 GLN 73 CA 0.0151 0.0035 0.0007 722 GLN 73 C 0.0171 0.0010 -0.0052 723 GLN 73 O 0.0176 0.0006 -0.0062 724 GLN 73 CB 0.0205 0.0067 0.0031 725 GLN 73 CG 0.0192 0.0094 0.0091 726 GLN 73 CD 0.0246 0.0125 0.0113 727 GLN 73 OE1 0.0287 0.0123 0.0083 728 GLN 73 NE2 0.0246 0.0153 0.0166 729 GLN 73 H 0.0121 0.0030 0.0018 730 GLN 73 HA 0.0130 0.0041 0.0031 731 GLN 73 HB2 0.0226 0.0061 0.0008 732 GLN 73 HB3 0.0236 0.0076 0.0029 733 GLN 73 HG2 0.0174 0.0101 0.0115 734 GLN 73 HG3 0.0160 0.0085 0.0094 735 GLN 73 HE21 0.0212 0.0153 0.0187 736 GLN 73 HE22 0.0280 0.0173 0.0182 737 LEU 74 N 0.0174 -0.0005 -0.0097 738 LEU 74 CA 0.0192 -0.0026 -0.0153 739 LEU 74 C 0.0151 -0.0068 -0.0178 740 LEU 74 O 0.0161 -0.0087 -0.0225 741 LEU 74 CB 0.0217 -0.0019 -0.0170 742 LEU 74 CG 0.0243 -0.0035 -0.0228 743 LEU 74 CD1 0.0283 -0.0018 -0.0245 744 LEU 74 CD2 0.0265 -0.0026 -0.0239 745 LEU 74 H 0.0168 0.0001 -0.0078 746 LEU 74 HA 0.0220 -0.0013 -0.0164 747 LEU 74 HB2 0.0242 0.0010 -0.0148 748 LEU 74 HB3 0.0187 -0.0033 -0.0160 749 LEU 74 HG 0.0217 -0.0065 -0.0250 750 LEU 74 HD11 0.0302 -0.0028 -0.0286 751 LEU 74 HD12 0.0310 0.0013 -0.0223 752 LEU 74 HD13 0.0268 -0.0025 -0.0240 753 LEU 74 HD21 0.0291 0.0003 -0.0217 754 LEU 74 HD22 0.0283 -0.0037 -0.0279 755 LEU 74 HD23 0.0235 -0.0040 -0.0228 756 SER 75 N 0.0112 -0.0069 -0.0143 757 SER 75 CA 0.0068 -0.0104 -0.0159 758 SER 75 C 0.0055 -0.0133 -0.0193 759 SER 75 O 0.0029 -0.0166 -0.0221 760 SER 75 CB 0.0076 -0.0114 -0.0183 761 SER 75 OG 0.0033 -0.0147 -0.0196 762 SER 75 H 0.0106 -0.0050 -0.0110 763 SER 75 HA 0.0037 -0.0100 -0.0128 764 SER 75 HB2 0.0085 -0.0093 -0.0157 765 SER 75 HB3 0.0108 -0.0118 -0.0214 766 SER 75 HG 0.0028 -0.0143 -0.0186 767 VAL 76 N 0.0086 -0.0131 -0.0186 768 VAL 76 CA 0.0077 -0.0149 -0.0199 769 VAL 76 C 0.0037 -0.0176 -0.0183 770 VAL 76 O 0.0022 -0.0208 -0.0206 771 VAL 76 CB 0.0094 -0.0123 -0.0185 772 VAL 76 CG1 0.0084 -0.0142 -0.0198 773 VAL 76 CG2 0.0134 -0.0096 -0.0201 774 VAL 76 H 0.0099 -0.0105 -0.0168 775 VAL 76 HA 0.0089 -0.0163 -0.0231 776 VAL 76 HB 0.0082 -0.0110 -0.0153 777 VAL 76 HG11 0.0095 -0.0124 -0.0188 778 VAL 76 HG12 0.0094 -0.0157 -0.0230 779 VAL 76 HG13 0.0055 -0.0161 -0.0185 780 VAL 76 HG21 0.0145 -0.0078 -0.0191 781 VAL 76 HG22 0.0140 -0.0082 -0.0191 782 VAL 76 HG23 0.0145 -0.0109 -0.0233 783 GLU 77 N -0.0019 -0.0126 -0.0164 784 GLU 77 CA -0.0059 -0.0146 -0.0147 785 GLU 77 C -0.0077 -0.0141 -0.0099 786 GLU 77 O -0.0066 -0.0123 -0.0063 787 GLU 77 CB -0.0060 -0.0146 -0.0146 788 GLU 77 CG -0.0027 -0.0118 -0.0121 789 GLU 77 CD -0.0031 -0.0119 -0.0120 790 GLU 77 OE1 -0.0019 -0.0124 -0.0155 791 GLU 77 OE2 -0.0046 -0.0117 -0.0082 792 GLU 77 H -0.0000 -0.0107 -0.0141 793 GLU 77 HA -0.0079 -0.0166 -0.0171 794 GLU 77 HB2 -0.0090 -0.0159 -0.0128 795 GLU 77 HB3 -0.0057 -0.0155 -0.0182 796 GLU 77 HG2 0.0003 -0.0105 -0.0140 797 GLU 77 HG3 -0.0031 -0.0109 -0.0086 798 PRO 78 N -0.0128 -0.0136 -0.0097 799 PRO 78 CA -0.0160 -0.0115 -0.0044 800 PRO 78 C -0.0214 -0.0125 -0.0029 801 PRO 78 O -0.0250 -0.0156 -0.0060 802 PRO 78 CB -0.0177 -0.0127 -0.0054 803 PRO 78 CG -0.0139 -0.0144 -0.0104 804 PRO 78 CD -0.0128 -0.0160 -0.0137 805 PRO 78 HA -0.0132 -0.0087 -0.0014 806 PRO 78 HB2 -0.0223 -0.0145 -0.0057 807 PRO 78 HB3 -0.0169 -0.0104 -0.0021 808 PRO 78 HG2 -0.0162 -0.0164 -0.0125 809 PRO 78 HG3 -0.0098 -0.0125 -0.0096 810 PRO 78 HD2 -0.0162 -0.0186 -0.0160 811 PRO 78 HD3 -0.0085 -0.0161 -0.0163 812 TYR 79 N -0.0237 -0.0078 0.0022 813 TYR 79 CA -0.0266 -0.0081 0.0034 814 TYR 79 C -0.0240 -0.0084 -0.0010 815 TYR 79 O -0.0262 -0.0098 -0.0061 816 TYR 79 CB -0.0337 -0.0093 0.0035 817 TYR 79 CG -0.0364 -0.0088 0.0084 818 TYR 79 CD1 -0.0373 -0.0092 0.0074 819 TYR 79 CD2 -0.0379 -0.0079 0.0142 820 TYR 79 CE1 -0.0397 -0.0087 0.0120 821 TYR 79 CE2 -0.0403 -0.0075 0.0187 822 TYR 79 CZ -0.0412 -0.0079 0.0176 823 TYR 79 OH -0.0435 -0.0074 0.0222 824 TYR 79 H -0.0209 -0.0067 0.0052 825 TYR 79 HA -0.0252 -0.0069 0.0079 826 TYR 79 HB2 -0.0352 -0.0104 -0.0009 827 TYR 79 HB3 -0.0355 -0.0095 0.0042 828 TYR 79 HD1 -0.0362 -0.0098 0.0030 829 TYR 79 HD2 -0.0372 -0.0077 0.0150 830 TYR 79 HE1 -0.0404 -0.0090 0.0110 831 TYR 79 HE2 -0.0414 -0.0068 0.0232 832 TYR 79 HH -0.0412 -0.0063 0.0258 833 SER 80 N -0.0184 -0.0083 0.0010 834 SER 80 CA -0.0159 -0.0087 -0.0018 835 SER 80 C -0.0177 -0.0086 -0.0002 836 SER 80 O -0.0214 -0.0085 0.0024 837 SER 80 CB -0.0104 -0.0076 -0.0011 838 SER 80 OG -0.0076 -0.0080 -0.0041 839 SER 80 H -0.0173 -0.0073 0.0043 840 SER 80 HA -0.0166 -0.0098 -0.0055 841 SER 80 HB2 -0.0094 -0.0077 -0.0019 842 SER 80 HB3 -0.0096 -0.0065 0.0026 843 SER 80 HG -0.0075 -0.0088 -0.0072 844 GLN 81 N -0.0153 -0.0089 -0.0025 845 GLN 81 CA -0.0142 -0.0089 -0.0012 846 GLN 81 C -0.0128 -0.0096 0.0038 847 GLN 81 O -0.0111 -0.0096 0.0056 848 GLN 81 CB -0.0104 -0.0075 -0.0038 849 GLN 81 CG -0.0096 -0.0074 -0.0030 850 GLN 81 CD -0.0056 -0.0060 -0.0053 851 GLN 81 OE1 -0.0023 -0.0051 -0.0059 852 GLN 81 NE2 -0.0060 -0.0058 -0.0065 853 GLN 81 H -0.0133 -0.0081 -0.0044 854 GLN 81 HA -0.0171 -0.0095 -0.0017 855 GLN 81 HB2 -0.0111 -0.0069 -0.0073 856 GLN 81 HB3 -0.0074 -0.0069 -0.0029 857 GLN 81 HG2 -0.0091 -0.0080 0.0005 858 GLN 81 HG3 -0.0125 -0.0079 -0.0042 859 GLN 81 HE21 -0.0087 -0.0066 -0.0059 860 GLN 81 HE22 -0.0034 -0.0049 -0.0079 861 GLU 82 N -0.0153 -0.0111 0.0003 862 GLU 82 CA -0.0150 -0.0109 0.0042 863 GLU 82 C -0.0180 -0.0108 0.0070 864 GLU 82 O -0.0184 -0.0107 0.0104 865 GLU 82 CB -0.0107 -0.0110 0.0057 866 GLU 82 CG -0.0100 -0.0108 0.0097 867 GLU 82 CD -0.0058 -0.0109 0.0108 868 GLU 82 OE1 -0.0043 -0.0109 0.0120 869 GLU 82 OE2 -0.0039 -0.0109 0.0105 870 GLU 82 H -0.0168 -0.0111 -0.0016 871 GLU 82 HA -0.0160 -0.0109 0.0039 872 GLU 82 HB2 -0.0089 -0.0111 0.0037 873 GLU 82 HB3 -0.0098 -0.0110 0.0059 874 GLU 82 HG2 -0.0117 -0.0107 0.0119 875 GLU 82 HG3 -0.0110 -0.0108 0.0096 876 GLU 83 N -0.0213 -0.0072 0.0085 877 GLU 83 CA -0.0248 -0.0060 0.0118 878 GLU 83 C -0.0293 -0.0043 0.0091 879 GLU 83 O -0.0326 -0.0031 0.0100 880 GLU 83 CB -0.0235 -0.0065 0.0146 881 GLU 83 CG -0.0271 -0.0052 0.0182 882 GLU 83 CD -0.0253 -0.0058 0.0212 883 GLU 83 OE1 -0.0251 -0.0059 0.0194 884 GLU 83 OE2 -0.0241 -0.0063 0.0254 885 GLU 83 H -0.0207 -0.0074 0.0056 886 GLU 83 HA -0.0253 -0.0058 0.0144 887 GLU 83 HB2 -0.0204 -0.0076 0.0166 888 GLU 83 HB3 -0.0229 -0.0067 0.0120 889 GLU 83 HG2 -0.0300 -0.0041 0.0162 890 GLU 83 HG3 -0.0280 -0.0049 0.0206 891 ALA 84 N -0.0266 -0.0058 0.0052 892 ALA 84 CA -0.0296 -0.0048 0.0031 893 ALA 84 C -0.0285 -0.0041 0.0002 894 ALA 84 O -0.0302 -0.0032 -0.0024 895 ALA 84 CB -0.0311 -0.0043 0.0018 896 ALA 84 H -0.0250 -0.0058 0.0045 897 ALA 84 HA -0.0315 -0.0050 0.0046 898 ALA 84 HB1 -0.0332 -0.0035 0.0002 899 ALA 84 HB2 -0.0291 -0.0041 0.0004 900 ALA 84 HB3 -0.0320 -0.0047 0.0040 901 GLU 85 N -0.0253 -0.0052 0.0013 902 GLU 85 CA -0.0261 -0.0063 -0.0011 903 GLU 85 C -0.0259 -0.0064 -0.0009 904 GLU 85 O -0.0242 -0.0078 -0.0004 905 GLU 85 CB -0.0248 -0.0086 -0.0021 906 GLU 85 CG -0.0258 -0.0098 -0.0047 907 GLU 85 CD -0.0256 -0.0107 -0.0056 908 GLU 85 OE1 -0.0240 -0.0125 -0.0057 909 GLU 85 OE2 -0.0272 -0.0096 -0.0062 910 GLU 85 H -0.0247 -0.0049 0.0024 911 GLU 85 HA -0.0278 -0.0054 -0.0020 912 GLU 85 HB2 -0.0246 -0.0085 -0.0017 913 GLU 85 HB3 -0.0232 -0.0096 -0.0014 914 GLU 85 HG2 -0.0274 -0.0085 -0.0052 915 GLU 85 HG3 -0.0251 -0.0111 -0.0054 916 ARG 86 N -0.0292 -0.0015 -0.0070 917 ARG 86 CA -0.0299 -0.0050 -0.0118 918 ARG 86 C -0.0303 -0.0046 -0.0198 919 ARG 86 O -0.0296 0.0005 -0.0223 920 ARG 86 CB -0.0295 -0.0024 -0.0103 921 ARG 86 CG -0.0281 0.0058 -0.0095 922 ARG 86 CD -0.0278 0.0102 -0.0163 923 ARG 86 NE -0.0265 0.0179 -0.0149 924 ARG 86 CZ -0.0259 0.0232 -0.0193 925 ARG 86 NH1 -0.0265 0.0216 -0.0258 926 ARG 86 NH2 -0.0248 0.0300 -0.0173 927 ARG 86 H -0.0284 0.0035 -0.0078 928 ARG 86 HA -0.0307 -0.0107 -0.0103 929 ARG 86 HB2 -0.0299 -0.0041 -0.0147 930 ARG 86 HB3 -0.0296 -0.0050 -0.0053 931 ARG 86 HG2 -0.0279 0.0069 -0.0081 932 ARG 86 HG3 -0.0276 0.0076 -0.0051 933 ARG 86 HD2 -0.0281 0.0088 -0.0181 934 ARG 86 HD3 -0.0282 0.0088 -0.0205 935 ARG 86 HE -0.0261 0.0192 -0.0103 936 ARG 86 HH11 -0.0274 0.0166 -0.0276 937 ARG 86 HH12 -0.0261 0.0255 -0.0291 938 ARG 86 HH21 -0.0243 0.0314 -0.0125 939 ARG 86 HH22 -0.0243 0.0341 -0.0204 940 ALA 87 N -0.0351 -0.0042 -0.0238 941 ALA 87 CA -0.0370 -0.0048 -0.0306 942 ALA 87 C -0.0371 -0.0019 -0.0355 943 ALA 87 O -0.0394 -0.0042 -0.0408 944 ALA 87 CB -0.0400 -0.0120 -0.0316 945 ALA 87 H -0.0358 -0.0073 -0.0221 946 ALA 87 HA -0.0362 -0.0022 -0.0313 947 ALA 87 HB1 -0.0408 -0.0146 -0.0307 948 ALA 87 HB2 -0.0399 -0.0140 -0.0281 949 ALA 87 HB3 -0.0415 -0.0124 -0.0367 950 ALA 88 N -0.0333 -0.0035 -0.0387 951 ALA 88 CA -0.0325 -0.0008 -0.0439 952 ALA 88 C -0.0281 0.0047 -0.0451 953 ALA 88 O -0.0247 0.0078 -0.0425 954 ALA 88 CB -0.0327 -0.0015 -0.0425 955 ALA 88 H -0.0310 -0.0020 -0.0349 956 ALA 88 HA -0.0350 -0.0024 -0.0481 957 ALA 88 HB1 -0.0302 0.0001 -0.0384 958 ALA 88 HB2 -0.0359 -0.0055 -0.0417 959 ALA 88 HB3 -0.0322 0.0004 -0.0466 960 GLY 89 N -0.0294 0.0072 -0.0669 961 GLY 89 CA -0.0120 0.0125 -0.0696 962 GLY 89 C -0.0169 0.0125 -0.0744 963 GLY 89 O -0.0281 0.0136 -0.0888 964 GLY 89 H -0.0417 0.0032 -0.0643 965 GLY 89 HA2 -0.0045 0.0178 -0.0815 966 GLY 89 HA3 -0.0024 0.0113 -0.0564 967 MET 90 N -0.0023 0.0039 -0.0706 968 MET 90 CA -0.0097 0.0005 -0.0534 969 MET 90 C 0.0047 0.0056 -0.0821 970 MET 90 O -0.0161 0.0189 -0.1077 971 MET 90 CB -0.0539 0.0075 -0.0388 972 MET 90 CG -0.0641 0.0021 -0.0129 973 MET 90 SD -0.0540 0.0067 -0.0360 974 MET 90 CE -0.0732 0.0000 0.0014 975 MET 90 H 0.0157 -0.0048 -0.0578 976 MET 90 HA 0.0082 -0.0118 -0.0289 977 MET 90 HB2 -0.0634 0.0048 -0.0222 978 MET 90 HB3 -0.0708 0.0197 -0.0641 979 MET 90 HG2 -0.0472 -0.0101 0.0123 980 MET 90 HG3 -0.0950 0.0072 -0.0032 981 MET 90 HE1 -0.0575 -0.0120 0.0272 982 MET 90 HE2 -0.0693 0.0021 -0.0085 983 MET 90 HE3 -0.1041 0.0060 0.0081 984 GLY 91 N 0.0524 -0.0034 -0.0870 985 GLY 91 CA 0.0679 -0.0004 -0.1090 986 GLY 91 C 0.0752 -0.0221 -0.0730 987 GLY 91 O 0.1142 -0.0434 -0.0707 988 GLY 91 H 0.0720 -0.0228 -0.0684 989 GLY 91 HA2 0.0422 0.0220 -0.1274 990 GLY 91 HA3 0.1004 -0.0050 -0.1334 991 SER 92 N 0.0327 -0.0254 -0.0515 992 SER 92 CA 0.0331 -0.0407 -0.0234 993 SER 92 C 0.0142 -0.0282 -0.0268 994 SER 92 O -0.0163 -0.0108 -0.0269 995 SER 92 CB 0.0177 -0.0501 0.0103 996 SER 92 OG 0.0360 -0.0617 0.0126 997 SER 92 H 0.0107 -0.0116 -0.0540 998 SER 92 HA 0.0594 -0.0553 -0.0240 999 SER 92 HB2 -0.0085 -0.0357 0.0112 1000 SER 92 HB3 0.0193 -0.0625 0.0317 1001 SER 92 HG 0.0504 -0.0577 -0.0101 1002 TYR 93 N 0.0152 -0.0339 -0.0291 1003 TYR 93 CA 0.0124 -0.0325 -0.0155 1004 TYR 93 C 0.0017 -0.0370 -0.0211 1005 TYR 93 O -0.0057 -0.0416 -0.0334 1006 TYR 93 CB 0.0044 -0.0327 -0.0014 1007 TYR 93 CG 0.0028 -0.0305 0.0146 1008 TYR 93 CD1 0.0146 -0.0248 0.0253 1009 TYR 93 CD2 -0.0105 -0.0342 0.0190 1010 TYR 93 CE1 0.0133 -0.0227 0.0398 1011 TYR 93 CE2 -0.0119 -0.0321 0.0335 1012 TYR 93 CZ 0.0001 -0.0264 0.0438 1013 TYR 93 OH -0.0012 -0.0244 0.0583 1014 TYR 93 H 0.0063 -0.0375 -0.0328 1015 TYR 93 HA 0.0233 -0.0283 -0.0120 1016 TYR 93 HB2 0.0111 -0.0302 0.0006 1017 TYR 93 HB3 -0.0071 -0.0371 -0.0047 1018 TYR 93 HD1 0.0250 -0.0219 0.0220 1019 TYR 93 HD2 -0.0199 -0.0387 0.0108 1020 TYR 93 HE1 0.0227 -0.0182 0.0479 1021 TYR 93 HE2 -0.0223 -0.0350 0.0367 1022 TYR 93 HH -0.0045 -0.0258 0.0559 1023 VAL 94 N 0.0019 -0.0374 -0.0214 1024 VAL 94 CA -0.0116 -0.0377 -0.0343 1025 VAL 94 C -0.0359 -0.0351 -0.0318 1026 VAL 94 O -0.0450 -0.0320 -0.0142 1027 VAL 94 CB -0.0062 -0.0378 -0.0303 1028 VAL 94 CG1 -0.0085 -0.0346 -0.0069 1029 VAL 94 CG2 -0.0200 -0.0383 -0.0449 1030 VAL 94 H 0.0113 -0.0369 -0.0102 1031 VAL 94 HA -0.0078 -0.0402 -0.0508 1032 VAL 94 HB 0.0105 -0.0399 -0.0345 1033 VAL 94 HG11 -0.0046 -0.0347 -0.0051 1034 VAL 94 HG12 -0.0249 -0.0324 -0.0020 1035 VAL 94 HG13 0.0024 -0.0344 0.0029 1036 VAL 94 HG21 -0.0368 -0.0362 -0.0416 1037 VAL 94 HG22 -0.0160 -0.0383 -0.0418 1038 VAL 94 HG23 -0.0168 -0.0407 -0.0615