1 ASP 28 N -0.0221 0.0192 0.0054 2 ASP 28 CA -0.0093 0.0203 0.0013 3 ASP 28 C -0.0147 0.0217 -0.0005 4 ASP 28 O -0.0231 0.0177 0.0082 5 ASP 28 CB 0.0028 0.0138 0.0118 6 ASP 28 CG 0.0165 0.0146 0.0083 7 ASP 28 OD1 0.0247 0.0192 -0.0016 8 ASP 28 OD2 0.0197 0.0104 0.0156 9 ASP 28 H -0.0187 0.0181 0.0069 10 ASP 28 HA -0.0047 0.0250 -0.0081 11 ASP 28 HB2 0.0065 0.0129 0.0129 12 ASP 28 HB3 -0.0020 0.0091 0.0212 13 PRO 29 N 0.0005 0.0233 -0.0235 14 PRO 29 CA -0.0088 0.0198 -0.0216 15 PRO 29 C -0.0313 0.0426 -0.0356 16 PRO 29 O -0.0549 0.0491 -0.0399 17 PRO 29 CB -0.0265 -0.0083 -0.0054 18 PRO 29 CG -0.0174 -0.0227 0.0033 19 PRO 29 CD -0.0103 -0.0005 -0.0097 20 PRO 29 HA 0.0121 0.0192 -0.0209 21 PRO 29 HB2 -0.0521 -0.0044 -0.0082 22 PRO 29 HB3 -0.0191 -0.0197 0.0015 23 PRO 29 HG2 -0.0372 -0.0357 0.0106 24 PRO 29 HG3 0.0038 -0.0352 0.0111 25 PRO 29 HD2 -0.0318 0.0045 -0.0131 26 PRO 29 HD3 0.0087 -0.0073 -0.0053 27 ASN 30 N -0.0128 -0.0009 0.0147 28 ASN 30 CA -0.0152 0.0025 0.0107 29 ASN 30 C -0.0082 -0.0071 0.0241 30 ASN 30 O -0.0006 -0.0207 0.0184 31 ASN 30 CB -0.0152 -0.0009 -0.0114 32 ASN 30 CG -0.0175 0.0019 -0.0174 33 ASN 30 OD1 -0.0263 0.0160 -0.0221 34 ASN 30 ND2 -0.0096 -0.0112 -0.0177 35 ASN 30 H -0.0184 0.0088 0.0168 36 ASN 30 HA -0.0229 0.0159 0.0142 37 ASN 30 HB2 -0.0210 0.0075 -0.0196 38 ASN 30 HB3 -0.0077 -0.0139 -0.0144 39 ASN 30 HD21 -0.0027 -0.0223 -0.0142 40 ASN 30 HD22 -0.0109 -0.0097 -0.0214 41 ALA 31 N -0.0036 -0.0103 0.0251 42 ALA 31 CA -0.0014 -0.0092 0.0285 43 ALA 31 C -0.0005 -0.0042 0.0328 44 ALA 31 O 0.0027 -0.0047 0.0363 45 ALA 31 CB 0.0028 -0.0142 0.0301 46 ALA 31 H -0.0038 -0.0084 0.0261 47 ALA 31 HA -0.0034 -0.0084 0.0266 48 ALA 31 HB1 0.0043 -0.0133 0.0325 49 ALA 31 HB2 0.0049 -0.0150 0.0320 50 ALA 31 HB3 0.0022 -0.0177 0.0270 51 GLU 32 N 0.0062 -0.0027 0.0155 52 GLU 32 CA 0.0118 -0.0038 0.0077 53 GLU 32 C 0.0116 0.0087 0.0024 54 GLU 32 O 0.0167 0.0105 -0.0059 55 GLU 32 CB 0.0104 -0.0105 0.0129 56 GLU 32 CG 0.0029 -0.0045 0.0211 57 GLU 32 CD 0.0020 -0.0115 0.0255 58 GLU 32 OE1 0.0043 -0.0092 0.0211 59 GLU 32 OE2 -0.0009 -0.0194 0.0334 60 GLU 32 H 0.0015 -0.0033 0.0227 61 GLU 32 HA 0.0170 -0.0089 0.0024 62 GLU 32 HB2 0.0147 -0.0113 0.0068 63 GLU 32 HB3 0.0106 -0.0193 0.0165 64 GLU 32 HG2 -0.0015 -0.0040 0.0274 65 GLU 32 HG3 0.0026 0.0044 0.0176 66 PHE 33 N 0.0149 0.0070 0.0081 67 PHE 33 CA 0.0135 0.0137 0.0057 68 PHE 33 C 0.0148 0.0118 0.0062 69 PHE 33 O 0.0156 0.0052 0.0087 70 PHE 33 CB 0.0049 0.0169 0.0059 71 PHE 33 CG -0.0013 0.0113 0.0093 72 PHE 33 CD1 -0.0041 0.0099 0.0104 73 PHE 33 CD2 -0.0042 0.0073 0.0114 74 PHE 33 CE1 -0.0096 0.0047 0.0135 75 PHE 33 CE2 -0.0097 0.0021 0.0145 76 PHE 33 CZ -0.0124 0.0008 0.0156 77 PHE 33 H 0.0110 0.0032 0.0103 78 PHE 33 HA 0.0175 0.0178 0.0033 79 PHE 33 HB2 0.0036 0.0214 0.0044 80 PHE 33 HB3 0.0043 0.0190 0.0052 81 PHE 33 HD1 -0.0019 0.0129 0.0088 82 PHE 33 HD2 -0.0020 0.0084 0.0106 83 PHE 33 HE1 -0.0118 0.0037 0.0143 84 PHE 33 HE2 -0.0119 -0.0009 0.0162 85 PHE 33 HZ -0.0167 -0.0033 0.0180 86 ASP 34 N 0.0135 0.0223 -0.0047 87 ASP 34 CA 0.0138 0.0190 -0.0032 88 ASP 34 C 0.0116 0.0169 -0.0054 89 ASP 34 O 0.0104 0.0184 -0.0075 90 ASP 34 CB 0.0156 0.0197 -0.0011 91 ASP 34 CG 0.0161 0.0165 0.0008 92 ASP 34 OD1 0.0148 0.0144 -0.0002 93 ASP 34 OD2 0.0179 0.0158 0.0034 94 ASP 34 H 0.0135 0.0241 -0.0054 95 ASP 34 HA 0.0143 0.0176 -0.0020 96 ASP 34 HB2 0.0171 0.0215 0.0003 97 ASP 34 HB3 0.0150 0.0209 -0.0023 98 PRO 35 N 0.0147 0.0016 0.0097 99 PRO 35 CA 0.0067 -0.0032 0.0050 100 PRO 35 C 0.0052 -0.0055 0.0049 101 PRO 35 O -0.0013 -0.0097 0.0013 102 PRO 35 CB 0.0047 -0.0117 0.0083 103 PRO 35 CG 0.0119 -0.0137 0.0164 104 PRO 35 CD 0.0183 -0.0047 0.0170 105 PRO 35 HA 0.0032 0.0004 -0.0006 106 PRO 35 HB2 0.0000 -0.0170 0.0071 107 PRO 35 HB3 0.0031 -0.0106 0.0061 108 PRO 35 HG2 0.0122 -0.0173 0.0189 109 PRO 35 HG3 0.0120 -0.0176 0.0189 110 PRO 35 HD2 0.0229 -0.0047 0.0213 111 PRO 35 HD3 0.0204 -0.0030 0.0179 112 ASP 36 N 0.0197 0.0082 -0.0126 113 ASP 36 CA 0.0188 0.0004 -0.0099 114 ASP 36 C 0.0190 0.0004 -0.0107 115 ASP 36 O 0.0190 -0.0059 -0.0124 116 ASP 36 CB 0.0170 -0.0012 -0.0014 117 ASP 36 CG 0.0161 -0.0090 0.0018 118 ASP 36 OD1 0.0163 -0.0155 -0.0005 119 ASP 36 OD2 0.0151 -0.0087 0.0067 120 ASP 36 H 0.0192 0.0129 -0.0090 121 ASP 36 HA 0.0194 -0.0042 -0.0137 122 ASP 36 HB2 0.0170 -0.0015 -0.0011 123 ASP 36 HB3 0.0165 0.0037 0.0023 124 LEU 37 N 0.0149 -0.0011 -0.0126 125 LEU 37 CA 0.0147 -0.0014 -0.0119 126 LEU 37 C 0.0158 -0.0009 -0.0150 127 LEU 37 O 0.0162 0.0016 -0.0172 128 LEU 37 CB 0.0131 0.0012 -0.0092 129 LEU 37 CG 0.0119 0.0004 -0.0055 130 LEU 37 CD1 0.0120 -0.0032 -0.0042 131 LEU 37 CD2 0.0116 0.0006 -0.0050 132 LEU 37 H 0.0145 0.0013 -0.0127 133 LEU 37 HA 0.0148 -0.0040 -0.0108 134 LEU 37 HB2 0.0130 0.0038 -0.0101 135 LEU 37 HB3 0.0132 0.0014 -0.0093 136 LEU 37 HG 0.0109 0.0023 -0.0040 137 LEU 37 HD11 0.0111 -0.0037 -0.0016 138 LEU 37 HD12 0.0130 -0.0053 -0.0056 139 LEU 37 HD13 0.0121 -0.0033 -0.0043 140 LEU 37 HD21 0.0107 -0.0000 -0.0024 141 LEU 37 HD22 0.0114 0.0033 -0.0058 142 LEU 37 HD23 0.0126 -0.0013 -0.0066 143 PRO 38 N 0.0202 -0.0081 -0.0202 144 PRO 38 CA 0.0200 -0.0077 -0.0214 145 PRO 38 C 0.0150 -0.0039 -0.0209 146 PRO 38 O 0.0121 -0.0026 -0.0167 147 PRO 38 CB 0.0225 -0.0107 -0.0166 148 PRO 38 CG 0.0255 -0.0134 -0.0146 149 PRO 38 CD 0.0229 -0.0112 -0.0153 150 PRO 38 HA 0.0218 -0.0082 -0.0256 151 PRO 38 HB2 0.0199 -0.0094 -0.0132 152 PRO 38 HB3 0.0247 -0.0119 -0.0184 153 PRO 38 HG2 0.0259 -0.0147 -0.0101 154 PRO 38 HG3 0.0289 -0.0154 -0.0173 155 PRO 38 HD2 0.0205 -0.0102 -0.0114 156 PRO 38 HD3 0.0253 -0.0128 -0.0163 157 GLY 39 N 0.0096 -0.0055 -0.0170 158 GLY 39 CA 0.0074 -0.0025 -0.0173 159 GLY 39 C 0.0056 -0.0001 -0.0172 160 GLY 39 O 0.0035 0.0024 -0.0161 161 GLY 39 H 0.0110 -0.0064 -0.0193 162 GLY 39 HA2 0.0078 -0.0019 -0.0197 163 GLY 39 HA3 0.0067 -0.0025 -0.0149 164 GLY 40 N 0.0075 0.0121 -0.0164 165 GLY 40 CA 0.0077 0.0140 -0.0136 166 GLY 40 C 0.0075 0.0147 -0.0102 167 GLY 40 O 0.0077 0.0166 -0.0077 168 GLY 40 H 0.0068 0.0096 -0.0170 169 GLY 40 HA2 0.0072 0.0126 -0.0128 170 GLY 40 HA3 0.0087 0.0166 -0.0146 171 GLY 41 N 0.0079 0.0057 -0.0119 172 GLY 41 CA 0.0054 0.0053 -0.0087 173 GLY 41 C 0.0030 0.0070 -0.0078 174 GLY 41 O 0.0005 0.0073 -0.0054 175 GLY 41 H 0.0098 0.0039 -0.0122 176 GLY 41 HA2 0.0062 0.0028 -0.0071 177 GLY 41 HA3 0.0045 0.0062 -0.0086 178 LEU 42 N 0.0016 0.0072 -0.0076 179 LEU 42 CA 0.0026 0.0090 -0.0079 180 LEU 42 C 0.0038 0.0042 -0.0093 181 LEU 42 O 0.0042 0.0049 -0.0094 182 LEU 42 CB 0.0070 0.0133 -0.0099 183 LEU 42 CG 0.0064 0.0186 -0.0089 184 LEU 42 CD1 0.0110 0.0224 -0.0111 185 LEU 42 CD2 0.0020 0.0217 -0.0060 186 LEU 42 H 0.0044 0.0070 -0.0092 187 LEU 42 HA -0.0005 0.0111 -0.0059 188 LEU 42 HB2 0.0101 0.0112 -0.0120 189 LEU 42 HB3 0.0077 0.0146 -0.0102 190 LEU 42 HG 0.0058 0.0173 -0.0088 191 LEU 42 HD11 0.0106 0.0261 -0.0104 192 LEU 42 HD12 0.0118 0.0237 -0.0114 193 LEU 42 HD13 0.0141 0.0202 -0.0132 194 LEU 42 HD21 0.0025 0.0230 -0.0061 195 LEU 42 HD22 0.0018 0.0255 -0.0053 196 LEU 42 HD23 -0.0013 0.0191 -0.0044 197 HIS 43 N 0.0014 -0.0043 -0.0077 198 HIS 43 CA 0.0017 -0.0059 -0.0065 199 HIS 43 C 0.0013 -0.0053 -0.0074 200 HIS 43 O 0.0021 -0.0035 -0.0070 201 HIS 43 CB 0.0033 -0.0056 -0.0041 202 HIS 43 CG 0.0038 -0.0059 -0.0031 203 HIS 43 ND1 0.0036 -0.0081 -0.0022 204 HIS 43 CD2 0.0046 -0.0043 -0.0027 205 HIS 43 CE1 0.0043 -0.0078 -0.0014 206 HIS 43 NE2 0.0049 -0.0056 -0.0017 207 HIS 43 H 0.0018 -0.0026 -0.0080 208 HIS 43 HA 0.0009 -0.0077 -0.0066 209 HIS 43 HB2 0.0040 -0.0039 -0.0040 210 HIS 43 HB3 0.0033 -0.0070 -0.0033 211 HIS 43 HD1 0.0030 -0.0097 -0.0023 212 HIS 43 HD2 0.0050 -0.0024 -0.0032 213 HIS 43 HE1 0.0043 -0.0093 -0.0005 214 HIS 43 HE2 0.0052 -0.0049 -0.0014 215 ARG 44 N 0.0005 -0.0046 0.0015 216 ARG 44 CA -0.0005 -0.0071 0.0036 217 ARG 44 C -0.0020 -0.0097 0.0059 218 ARG 44 O -0.0035 -0.0089 0.0061 219 ARG 44 CB -0.0038 -0.0054 0.0040 220 ARG 44 CG -0.0036 -0.0021 0.0018 221 ARG 44 CD -0.0072 -0.0005 0.0026 222 ARG 44 NE -0.0073 0.0029 0.0005 223 ARG 44 CZ -0.0100 0.0045 0.0007 224 ARG 44 NH1 -0.0129 0.0032 0.0030 225 ARG 44 NH2 -0.0098 0.0075 -0.0012 226 ARG 44 H -0.0012 -0.0033 0.0015 227 ARG 44 HA 0.0017 -0.0083 0.0033 228 ARG 44 HB2 -0.0062 -0.0050 0.0049 229 ARG 44 HB3 -0.0041 -0.0072 0.0054 230 ARG 44 HG2 -0.0013 -0.0026 0.0011 231 ARG 44 HG3 -0.0030 -0.0004 0.0005 232 ARG 44 HD2 -0.0094 -0.0002 0.0034 233 ARG 44 HD3 -0.0076 -0.0023 0.0039 234 ARG 44 HE -0.0051 0.0039 -0.0012 235 ARG 44 HH11 -0.0131 0.0009 0.0045 236 ARG 44 HH12 -0.0150 0.0044 0.0032 237 ARG 44 HH21 -0.0077 0.0087 -0.0030 238 ARG 44 HH22 -0.0119 0.0088 -0.0011 239 CYS 45 N -0.0053 -0.0041 0.0100 240 CYS 45 CA -0.0053 -0.0029 0.0120 241 CYS 45 C -0.0043 -0.0033 0.0139 242 CYS 45 O -0.0031 -0.0051 0.0143 243 CYS 45 CB -0.0049 -0.0033 0.0124 244 CYS 45 SG -0.0047 -0.0021 0.0151 245 CYS 45 H -0.0045 -0.0055 0.0095 246 CYS 45 HA -0.0064 -0.0013 0.0119 247 CYS 45 HB2 -0.0057 -0.0028 0.0111 248 CYS 45 HB3 -0.0040 -0.0049 0.0121 249 LEU 46 N -0.0114 -0.0065 0.0231 250 LEU 46 CA -0.0076 -0.0066 0.0132 251 LEU 46 C -0.0011 0.0004 0.0151 252 LEU 46 O 0.0056 0.0042 0.0082 253 LEU 46 CB -0.0143 -0.0148 0.0092 254 LEU 46 CG -0.0208 -0.0223 0.0062 255 LEU 46 CD1 -0.0276 -0.0301 0.0032 256 LEU 46 CD2 -0.0167 -0.0219 -0.0028 257 LEU 46 H -0.0173 -0.0109 0.0266 258 LEU 46 HA -0.0044 -0.0060 0.0072 259 LEU 46 HB2 -0.0175 -0.0155 0.0153 260 LEU 46 HB3 -0.0114 -0.0148 0.0020 261 LEU 46 HG -0.0235 -0.0221 0.0134 262 LEU 46 HD11 -0.0308 -0.0305 0.0100 263 LEU 46 HD12 -0.0320 -0.0353 0.0009 264 LEU 46 HD13 -0.0248 -0.0300 -0.0036 265 LEU 46 HD21 -0.0123 -0.0166 -0.0002 266 LEU 46 HD22 -0.0135 -0.0216 -0.0099 267 LEU 46 HD23 -0.0215 -0.0273 -0.0048 268 ALA 47 N -0.0089 0.0025 0.0243 269 ALA 47 CA -0.0083 0.0032 0.0247 270 ALA 47 C -0.0087 0.0020 0.0245 271 ALA 47 O -0.0081 0.0021 0.0249 272 ALA 47 CB -0.0089 0.0051 0.0242 273 ALA 47 H -0.0096 0.0032 0.0238 274 ALA 47 HA -0.0072 0.0033 0.0255 275 ALA 47 HB1 -0.0084 0.0056 0.0245 276 ALA 47 HB2 -0.0101 0.0050 0.0234 277 ALA 47 HB3 -0.0086 0.0059 0.0244 278 CYS 48 N 0.0017 0.0007 0.0090 279 CYS 48 CA 0.0038 -0.0002 0.0085 280 CYS 48 C 0.0052 -0.0027 0.0061 281 CYS 48 O 0.0073 -0.0036 0.0057 282 CYS 48 CB 0.0021 0.0004 0.0087 283 CYS 48 SG 0.0012 0.0032 0.0117 284 CYS 48 H -0.0003 0.0002 0.0079 285 CYS 48 HA 0.0058 0.0006 0.0100 286 CYS 48 HB2 -0.0003 0.0000 0.0076 287 CYS 48 HB3 0.0037 -0.0003 0.0084 288 ALA 49 N 0.0081 -0.0021 0.0124 289 ALA 49 CA 0.0099 -0.0066 0.0088 290 ALA 49 C 0.0081 -0.0082 0.0077 291 ALA 49 O 0.0104 -0.0113 0.0052 292 ALA 49 CB 0.0161 -0.0067 0.0081 293 ALA 49 H 0.0058 -0.0016 0.0130 294 ALA 49 HA 0.0078 -0.0086 0.0074 295 ALA 49 HB1 0.0182 -0.0047 0.0095 296 ALA 49 HB2 0.0172 -0.0055 0.0089 297 ALA 49 HB3 0.0173 -0.0100 0.0054 298 ARG 50 N 0.0202 -0.0113 0.0063 299 ARG 50 CA 0.0064 -0.0147 0.0082 300 ARG 50 C -0.0018 -0.0238 0.0104 301 ARG 50 O -0.0011 -0.0218 0.0101 302 ARG 50 CB -0.0024 -0.0013 0.0071 303 ARG 50 CG 0.0045 0.0081 0.0050 304 ARG 50 CD -0.0049 0.0211 0.0040 305 ARG 50 NE 0.0017 0.0306 0.0019 306 ARG 50 CZ -0.0038 0.0434 0.0005 307 ARG 50 NH1 -0.0163 0.0480 0.0011 308 ARG 50 NH2 0.0031 0.0513 -0.0014 309 ARG 50 H 0.0207 -0.0044 0.0052 310 ARG 50 HA 0.0084 -0.0209 0.0089 311 ARG 50 HB2 -0.0042 0.0050 0.0063 312 ARG 50 HB3 -0.0128 -0.0047 0.0087 313 ARG 50 HG2 0.0060 0.0020 0.0057 314 ARG 50 HG3 0.0148 0.0116 0.0034 315 ARG 50 HD2 -0.0067 0.0271 0.0032 316 ARG 50 HD3 -0.0152 0.0175 0.0056 317 ARG 50 HE 0.0108 0.0269 0.0015 318 ARG 50 HH11 -0.0220 0.0422 0.0025 319 ARG 50 HH12 -0.0209 0.0574 0.0001 320 ARG 50 HH21 0.0125 0.0482 -0.0019 321 ARG 50 HH22 -0.0008 0.0610 -0.0025 322 TYR 51 N 0.0080 -0.0088 0.0033 323 TYR 51 CA 0.0062 -0.0075 -0.0007 324 TYR 51 C 0.0068 -0.0082 -0.0029 325 TYR 51 O 0.0096 -0.0107 -0.0033 326 TYR 51 CB 0.0074 -0.0088 -0.0034 327 TYR 51 CG 0.0072 -0.0084 -0.0012 328 TYR 51 CD1 0.0097 -0.0105 0.0014 329 TYR 51 CD2 0.0044 -0.0060 -0.0017 330 TYR 51 CE1 0.0095 -0.0102 0.0034 331 TYR 51 CE2 0.0042 -0.0056 0.0003 332 TYR 51 CZ 0.0068 -0.0078 0.0028 333 TYR 51 OH 0.0066 -0.0075 0.0049 334 TYR 51 H 0.0103 -0.0109 0.0030 335 TYR 51 HA 0.0037 -0.0052 -0.0001 336 TYR 51 HB2 0.0099 -0.0111 -0.0040 337 TYR 51 HB3 0.0060 -0.0077 -0.0064 338 TYR 51 HD1 0.0119 -0.0124 0.0019 339 TYR 51 HD2 0.0024 -0.0043 -0.0037 340 TYR 51 HE1 0.0116 -0.0119 0.0055 341 TYR 51 HE2 0.0020 -0.0037 -0.0002 342 TYR 51 HH 0.0087 -0.0094 0.0045 343 PHE 52 N -0.0016 -0.0016 -0.0038 344 PHE 52 CA -0.0019 -0.0015 -0.0043 345 PHE 52 C -0.0024 -0.0017 -0.0054 346 PHE 52 O -0.0028 -0.0014 -0.0056 347 PHE 52 CB -0.0025 -0.0007 -0.0038 348 PHE 52 CG -0.0020 -0.0005 -0.0027 349 PHE 52 CD1 -0.0019 -0.0001 -0.0019 350 PHE 52 CD2 -0.0017 -0.0006 -0.0024 351 PHE 52 CE1 -0.0014 0.0001 -0.0009 352 PHE 52 CE2 -0.0013 -0.0005 -0.0014 353 PHE 52 CZ -0.0011 -0.0001 -0.0006 354 PHE 52 H -0.0019 -0.0011 -0.0036 355 PHE 52 HA -0.0014 -0.0020 -0.0043 356 PHE 52 HB2 -0.0030 -0.0002 -0.0039 357 PHE 52 HB3 -0.0027 -0.0007 -0.0043 358 PHE 52 HD1 -0.0021 0.0000 -0.0021 359 PHE 52 HD2 -0.0018 -0.0009 -0.0031 360 PHE 52 HE1 -0.0013 0.0003 -0.0003 361 PHE 52 HE2 -0.0010 -0.0006 -0.0012 362 PHE 52 HZ -0.0008 0.0000 0.0002 363 ILE 53 N 0.0033 0.0050 -0.0077 364 ILE 53 CA -0.0024 -0.0026 -0.0039 365 ILE 53 C -0.0066 -0.0088 -0.0012 366 ILE 53 O -0.0087 -0.0178 -0.0002 367 ILE 53 CB -0.0090 0.0021 0.0012 368 ILE 53 CG1 -0.0136 0.0102 0.0049 369 ILE 53 CG2 -0.0052 0.0063 -0.0014 370 ILE 53 CD1 -0.0204 0.0150 0.0102 371 ILE 53 H 0.0021 0.0121 -0.0065 372 ILE 53 HA 0.0009 -0.0077 -0.0067 373 ILE 53 HB -0.0133 -0.0040 0.0039 374 ILE 53 HG12 -0.0093 0.0162 0.0022 375 ILE 53 HG13 -0.0162 0.0068 0.0067 376 ILE 53 HG21 -0.0006 0.0120 -0.0045 377 ILE 53 HG22 -0.0025 0.0003 -0.0037 378 ILE 53 HG23 -0.0099 0.0096 0.0022 379 ILE 53 HD11 -0.0249 0.0093 0.0132 380 ILE 53 HD12 -0.0231 0.0208 0.0125 381 ILE 53 HD13 -0.0179 0.0185 0.0085 382 ASP 54 N -0.0078 -0.0015 0.0021 383 ASP 54 CA -0.0088 -0.0082 0.0055 384 ASP 54 C -0.0055 -0.0080 0.0007 385 ASP 54 O -0.0041 -0.0009 -0.0034 386 ASP 54 CB -0.0149 -0.0063 0.0137 387 ASP 54 CG -0.0163 -0.0133 0.0179 388 ASP 54 OD1 -0.0170 -0.0205 0.0211 389 ASP 54 OD2 -0.0168 -0.0117 0.0182 390 ASP 54 H -0.0070 0.0041 -0.0008 391 ASP 54 HA -0.0075 -0.0149 0.0057 392 ASP 54 HB2 -0.0171 -0.0062 0.0169 393 ASP 54 HB3 -0.0162 0.0003 0.0135 394 SER 55 N -0.0029 -0.0093 0.0068 395 SER 55 CA 0.0011 -0.0102 0.0014 396 SER 55 C -0.0015 -0.0057 -0.0001 397 SER 55 O 0.0004 -0.0035 -0.0059 398 SER 55 CB 0.0053 -0.0171 0.0035 399 SER 55 OG 0.0093 -0.0183 -0.0014 400 SER 55 H -0.0028 -0.0128 0.0110 401 SER 55 HA 0.0031 -0.0091 -0.0031 402 SER 55 HB2 0.0073 -0.0199 0.0038 403 SER 55 HB3 0.0034 -0.0186 0.0084 404 SER 55 HG 0.0081 -0.0176 -0.0004 405 THR 56 N -0.0038 -0.0097 0.0026 406 THR 56 CA -0.0075 -0.0047 0.0001 407 THR 56 C -0.0108 0.0018 -0.0051 408 THR 56 O -0.0104 0.0058 -0.0108 409 THR 56 CB -0.0134 -0.0048 0.0066 410 THR 56 OG1 -0.0105 -0.0112 0.0118 411 THR 56 CG2 -0.0167 -0.0003 0.0041 412 THR 56 H -0.0057 -0.0121 0.0080 413 THR 56 HA -0.0037 -0.0056 -0.0029 414 THR 56 HB -0.0174 -0.0034 0.0090 415 THR 56 HG1 -0.0104 -0.0134 0.0147 416 THR 56 HG21 -0.0208 -0.0005 0.0088 417 THR 56 HG22 -0.0126 -0.0017 0.0015 418 THR 56 HG23 -0.0189 0.0045 0.0002 419 ASN 57 N -0.0095 -0.0004 -0.0001 420 ASN 57 CA -0.0117 0.0056 -0.0042 421 ASN 57 C -0.0078 0.0056 -0.0114 422 ASN 57 O -0.0086 0.0100 -0.0161 423 ASN 57 CB -0.0147 0.0076 -0.0012 424 ASN 57 CG -0.0199 0.0105 0.0044 425 ASN 57 OD1 -0.0234 0.0160 0.0031 426 ASN 57 ND2 -0.0206 0.0069 0.0106 427 ASN 57 H -0.0096 -0.0026 0.0033 428 ASN 57 HA -0.0141 0.0088 -0.0041 429 ASN 57 HB2 -0.0128 0.0035 0.0008 430 ASN 57 HB3 -0.0148 0.0106 -0.0052 431 ASN 57 HD21 -0.0178 0.0024 0.0116 432 ASN 57 HD22 -0.0240 0.0088 0.0142 433 LEU 58 N -0.0046 -0.0014 -0.0093 434 LEU 58 CA -0.0031 -0.0008 -0.0091 435 LEU 58 C -0.0019 0.0004 -0.0112 436 LEU 58 O -0.0020 0.0008 -0.0122 437 LEU 58 CB -0.0015 -0.0010 -0.0068 438 LEU 58 CG 0.0004 -0.0004 -0.0063 439 LEU 58 CD1 0.0024 0.0009 -0.0075 440 LEU 58 CD2 -0.0004 -0.0005 -0.0070 441 LEU 58 H -0.0042 -0.0016 -0.0083 442 LEU 58 HA -0.0042 -0.0013 -0.0090 443 LEU 58 HB2 -0.0025 -0.0019 -0.0054 444 LEU 58 HB3 -0.0008 -0.0007 -0.0067 445 LEU 58 HG 0.0011 -0.0007 -0.0046 446 LEU 58 HD11 0.0037 0.0013 -0.0072 447 LEU 58 HD12 0.0019 0.0013 -0.0094 448 LEU 58 HD13 0.0030 0.0010 -0.0069 449 LEU 58 HD21 -0.0010 -0.0001 -0.0088 450 LEU 58 HD22 0.0010 -0.0001 -0.0066 451 LEU 58 HD23 -0.0018 -0.0014 -0.0060 452 LYS 59 N -0.0003 0.0036 -0.0156 453 LYS 59 CA 0.0008 0.0025 -0.0170 454 LYS 59 C -0.0002 0.0030 -0.0181 455 LYS 59 O 0.0000 0.0025 -0.0199 456 LYS 59 CB 0.0026 0.0015 -0.0160 457 LYS 59 CG 0.0026 0.0018 -0.0142 458 LYS 59 CD 0.0045 0.0008 -0.0131 459 LYS 59 CE 0.0057 -0.0003 -0.0146 460 LYS 59 NZ 0.0051 -0.0000 -0.0152 461 LYS 59 H 0.0001 0.0036 -0.0141 462 LYS 59 HA 0.0009 0.0022 -0.0183 463 LYS 59 HB2 0.0034 0.0007 -0.0171 464 LYS 59 HB3 0.0032 0.0012 -0.0153 465 LYS 59 HG2 0.0018 0.0026 -0.0131 466 LYS 59 HG3 0.0021 0.0021 -0.0148 467 LYS 59 HD2 0.0050 0.0005 -0.0127 468 LYS 59 HD3 0.0044 0.0011 -0.0118 469 LYS 59 HE2 0.0058 -0.0006 -0.0160 470 LYS 59 HE3 0.0070 -0.0010 -0.0137 471 LYS 59 HZ1 0.0052 0.0002 -0.0139 472 LYS 59 HZ2 0.0060 -0.0008 -0.0162 473 LYS 59 HZ3 0.0039 0.0006 -0.0160 474 THR 60 N -0.0047 0.0022 -0.0202 475 THR 60 CA -0.0053 0.0039 -0.0199 476 THR 60 C -0.0060 0.0053 -0.0226 477 THR 60 O -0.0063 0.0059 -0.0235 478 THR 60 CB -0.0058 0.0057 -0.0175 479 THR 60 OG1 -0.0051 0.0043 -0.0150 480 THR 60 CG2 -0.0064 0.0074 -0.0172 481 THR 60 H -0.0048 0.0026 -0.0189 482 THR 60 HA -0.0048 0.0026 -0.0197 483 THR 60 HB -0.0062 0.0069 -0.0178 484 THR 60 HG1 -0.0048 0.0035 -0.0150 485 THR 60 HG21 -0.0067 0.0087 -0.0155 486 THR 60 HG22 -0.0059 0.0062 -0.0170 487 THR 60 HG23 -0.0069 0.0085 -0.0190 488 HIS 61 N -0.0049 0.0033 -0.0178 489 HIS 61 CA -0.0056 0.0013 -0.0146 490 HIS 61 C -0.0044 0.0038 -0.0135 491 HIS 61 O -0.0050 0.0021 -0.0124 492 HIS 61 CB -0.0058 -0.0000 -0.0104 493 HIS 61 CG -0.0059 -0.0008 -0.0063 494 HIS 61 ND1 -0.0073 -0.0041 -0.0056 495 HIS 61 CD2 -0.0046 0.0016 -0.0028 496 HIS 61 CE1 -0.0068 -0.0037 -0.0019 497 HIS 61 NE2 -0.0053 -0.0003 -0.0002 498 HIS 61 H -0.0045 0.0041 -0.0169 499 HIS 61 HA -0.0069 -0.0015 -0.0161 500 HIS 61 HB2 -0.0071 -0.0028 -0.0110 501 HIS 61 HB3 -0.0048 0.0024 -0.0097 502 HIS 61 HD1 -0.0084 -0.0065 -0.0076 503 HIS 61 HD2 -0.0033 0.0045 -0.0021 504 HIS 61 HE1 -0.0075 -0.0055 -0.0002 505 PHE 62 N -0.0038 -0.0018 -0.0132 506 PHE 62 CA -0.0028 -0.0002 -0.0128 507 PHE 62 C -0.0027 0.0001 -0.0161 508 PHE 62 O -0.0018 0.0015 -0.0164 509 PHE 62 CB -0.0008 0.0029 -0.0114 510 PHE 62 CG -0.0007 0.0030 -0.0082 511 PHE 62 CD1 -0.0016 0.0014 -0.0053 512 PHE 62 CD2 0.0004 0.0047 -0.0082 513 PHE 62 CE1 -0.0015 0.0016 -0.0025 514 PHE 62 CE2 0.0006 0.0049 -0.0054 515 PHE 62 CZ -0.0004 0.0033 -0.0025 516 PHE 62 H -0.0032 -0.0007 -0.0136 517 PHE 62 HA -0.0035 -0.0014 -0.0110 518 PHE 62 HB2 0.0001 0.0043 -0.0133 519 PHE 62 HB3 -0.0004 0.0035 -0.0106 520 PHE 62 HD1 -0.0025 0.0000 -0.0053 521 PHE 62 HD2 0.0012 0.0060 -0.0105 522 PHE 62 HE1 -0.0022 0.0003 -0.0003 523 PHE 62 HE2 0.0015 0.0063 -0.0054 524 PHE 62 HZ -0.0002 0.0035 -0.0004 525 ARG 63 N -0.0095 -0.0057 -0.0432 526 ARG 63 CA -0.0076 -0.0087 -0.0287 527 ARG 63 C -0.0040 -0.0028 -0.0290 528 ARG 63 O -0.0016 -0.0038 -0.0175 529 ARG 63 CB -0.0017 -0.0045 -0.0159 530 ARG 63 CG -0.0059 -0.0123 -0.0133 531 ARG 63 CD 0.0002 -0.0078 -0.0007 532 ARG 63 NE 0.0032 -0.0088 0.0135 533 ARG 63 CZ 0.0075 -0.0075 0.0270 534 ARG 63 NH1 0.0089 -0.0058 0.0284 535 ARG 63 NH2 0.0102 -0.0081 0.0389 536 ARG 63 H -0.0056 0.0010 -0.0447 537 ARG 63 HA -0.0137 -0.0193 -0.0268 538 ARG 63 HB2 0.0041 0.0059 -0.0186 539 ARG 63 HB3 0.0001 -0.0059 -0.0057 540 ARG 63 HG2 -0.0116 -0.0227 -0.0103 541 ARG 63 HG3 -0.0078 -0.0111 -0.0236 542 ARG 63 HD2 -0.0032 -0.0139 0.0010 543 ARG 63 HD3 0.0057 0.0024 -0.0039 544 ARG 63 HE 0.0020 -0.0103 0.0128 545 ARG 63 HH11 0.0068 -0.0056 0.0196 546 ARG 63 HH12 0.0121 -0.0048 0.0384 547 ARG 63 HH21 0.0091 -0.0095 0.0382 548 ARG 63 HH22 0.0134 -0.0071 0.0493 549 SER 64 N -0.0030 -0.0080 -0.0303 550 SER 64 CA -0.0046 -0.0123 -0.0273 551 SER 64 C -0.0037 -0.0074 -0.0239 552 SER 64 O -0.0036 -0.0041 -0.0182 553 SER 64 CB -0.0066 -0.0166 -0.0214 554 SER 64 OG -0.0072 -0.0200 -0.0239 555 SER 64 H -0.0031 -0.0069 -0.0274 556 SER 64 HA -0.0050 -0.0157 -0.0314 557 SER 64 HB2 -0.0063 -0.0132 -0.0169 558 SER 64 HB3 -0.0079 -0.0205 -0.0199 559 SER 64 HG -0.0078 -0.0237 -0.0272 560 LYS 65 N 0.0028 -0.0146 -0.0425 561 LYS 65 CA -0.0092 -0.0042 -0.0264 562 LYS 65 C -0.0069 -0.0072 -0.0090 563 LYS 65 O -0.0178 0.0025 -0.0004 564 LYS 65 CB -0.0128 -0.0013 -0.0185 565 LYS 65 CG 0.0006 -0.0141 -0.0115 566 LYS 65 CD 0.0084 -0.0221 0.0072 567 LYS 65 CE 0.0214 -0.0345 0.0133 568 LYS 65 NZ 0.0297 -0.0430 0.0307 569 LYS 65 H 0.0087 -0.0200 -0.0455 570 LYS 65 HA -0.0191 0.0052 -0.0341 571 LYS 65 HB2 -0.0206 0.0053 -0.0054 572 LYS 65 HB3 -0.0184 0.0044 -0.0304 573 LYS 65 HG2 -0.0034 -0.0105 -0.0078 574 LYS 65 HG3 0.0088 -0.0210 -0.0241 575 LYS 65 HD2 0.0125 -0.0258 0.0039 576 LYS 65 HD3 0.0002 -0.0151 0.0198 577 LYS 65 HE2 0.0170 -0.0306 0.0176 578 LYS 65 HE3 0.0291 -0.0410 0.0001 579 LYS 65 HZ1 0.0227 -0.0371 0.0437 580 LYS 65 HZ2 0.0345 -0.0472 0.0270 581 LYS 65 HZ3 0.0383 -0.0512 0.0347 582 ASP 66 N -0.0052 -0.0088 -0.0193 583 ASP 66 CA -0.0069 -0.0106 -0.0138 584 ASP 66 C -0.0084 -0.0077 -0.0115 585 ASP 66 O -0.0103 -0.0068 -0.0069 586 ASP 66 CB -0.0060 -0.0167 -0.0133 587 ASP 66 CG -0.0077 -0.0190 -0.0078 588 ASP 66 OD1 -0.0081 -0.0206 -0.0060 589 ASP 66 OD2 -0.0086 -0.0195 -0.0053 590 ASP 66 H -0.0037 -0.0113 -0.0219 591 ASP 66 HA -0.0078 -0.0097 -0.0119 592 ASP 66 HB2 -0.0048 -0.0186 -0.0156 593 ASP 66 HB3 -0.0053 -0.0176 -0.0149 594 HIS 67 N -0.0083 -0.0063 -0.0088 595 HIS 67 CA -0.0082 -0.0043 -0.0034 596 HIS 67 C -0.0053 0.0012 -0.0015 597 HIS 67 O -0.0056 0.0024 0.0036 598 HIS 67 CB -0.0080 -0.0044 -0.0046 599 HIS 67 CG -0.0081 -0.0029 0.0004 600 HIS 67 ND1 -0.0099 -0.0040 0.0060 601 HIS 67 CD2 -0.0075 -0.0019 0.0003 602 HIS 67 CE1 -0.0104 -0.0039 0.0091 603 HIS 67 NE2 -0.0091 -0.0028 0.0059 604 HIS 67 H -0.0081 -0.0073 -0.0125 605 HIS 67 HA -0.0102 -0.0066 0.0002 606 HIS 67 HB2 -0.0100 -0.0082 -0.0058 607 HIS 67 HB3 -0.0058 -0.0019 -0.0080 608 HIS 67 HD1 -0.0106 -0.0048 0.0076 609 HIS 67 HD2 -0.0057 -0.0001 -0.0034 610 HIS 67 HE1 -0.0118 -0.0046 0.0137 611 LYS 68 N -0.0036 0.0030 -0.0028 612 LYS 68 CA -0.0022 0.0054 -0.0022 613 LYS 68 C -0.0014 0.0066 -0.0015 614 LYS 68 O -0.0003 0.0082 0.0000 615 LYS 68 CB -0.0021 0.0067 -0.0046 616 LYS 68 CG -0.0030 0.0054 -0.0054 617 LYS 68 CD -0.0028 0.0067 -0.0079 618 LYS 68 CE -0.0033 0.0069 -0.0102 619 LYS 68 NZ -0.0033 0.0081 -0.0126 620 LYS 68 H -0.0042 0.0026 -0.0046 621 LYS 68 HA -0.0019 0.0053 -0.0005 622 LYS 68 HB2 -0.0024 0.0069 -0.0062 623 LYS 68 HB3 -0.0011 0.0085 -0.0041 624 LYS 68 HG2 -0.0028 0.0049 -0.0038 625 LYS 68 HG3 -0.0040 0.0036 -0.0059 626 LYS 68 HD2 -0.0018 0.0085 -0.0074 627 LYS 68 HD3 -0.0034 0.0058 -0.0084 628 LYS 68 HE2 -0.0043 0.0051 -0.0106 629 LYS 68 HE3 -0.0027 0.0079 -0.0097 630 LYS 68 HZ1 -0.0023 0.0098 -0.0124 631 LYS 68 HZ2 -0.0036 0.0081 -0.0142 632 LYS 68 HZ3 -0.0039 0.0071 -0.0131 633 LYS 69 N -0.0014 0.0080 -0.0020 634 LYS 69 CA -0.0027 0.0069 0.0017 635 LYS 69 C -0.0049 0.0061 0.0087 636 LYS 69 O -0.0057 0.0090 0.0131 637 LYS 69 CB -0.0029 0.0006 -0.0012 638 LYS 69 CG -0.0046 -0.0028 0.0027 639 LYS 69 CD -0.0047 -0.0093 -0.0009 640 LYS 69 CE -0.0064 -0.0137 0.0025 641 LYS 69 NZ -0.0064 -0.0200 -0.0014 642 LYS 69 H -0.0008 0.0049 -0.0056 643 LYS 69 HA -0.0018 0.0109 0.0012 644 LYS 69 HB2 -0.0014 0.0017 -0.0057 645 LYS 69 HB3 -0.0032 -0.0028 -0.0022 646 LYS 69 HG2 -0.0061 -0.0035 0.0073 647 LYS 69 HG3 -0.0043 0.0003 0.0033 648 LYS 69 HD2 -0.0031 -0.0081 -0.0054 649 LYS 69 HD3 -0.0049 -0.0119 -0.0017 650 LYS 69 HE2 -0.0080 -0.0146 0.0072 651 LYS 69 HE3 -0.0061 -0.0112 0.0030 652 LYS 69 HZ1 -0.0076 -0.0233 0.0008 653 LYS 69 HZ2 -0.0066 -0.0222 -0.0020 654 LYS 69 HZ3 -0.0048 -0.0191 -0.0059 655 ARG 70 N -0.0072 0.0080 0.0046 656 ARG 70 CA -0.0036 0.0071 0.0026 657 ARG 70 C -0.0017 0.0022 0.0022 658 ARG 70 O 0.0019 0.0013 0.0002 659 ARG 70 CB -0.0045 0.0075 0.0030 660 ARG 70 CG -0.0007 0.0071 0.0008 661 ARG 70 CD 0.0022 0.0107 -0.0015 662 ARG 70 NE 0.0059 0.0102 -0.0036 663 ARG 70 CZ 0.0095 0.0115 -0.0059 664 ARG 70 NH1 0.0098 0.0132 -0.0064 665 ARG 70 NH2 0.0127 0.0109 -0.0078 666 ARG 70 H -0.0099 0.0082 0.0061 667 ARG 70 HA -0.0015 0.0096 0.0010 668 ARG 70 HB2 -0.0062 0.0107 0.0035 669 ARG 70 HB3 -0.0063 0.0047 0.0045 670 ARG 70 HG2 -0.0015 0.0075 0.0013 671 ARG 70 HG3 0.0009 0.0037 0.0005 672 ARG 70 HD2 0.0030 0.0103 -0.0019 673 ARG 70 HD3 0.0007 0.0141 -0.0011 674 ARG 70 HE 0.0057 0.0090 -0.0033 675 ARG 70 HH11 0.0075 0.0137 -0.0051 676 ARG 70 HH12 0.0125 0.0141 -0.0081 677 ARG 70 HH21 0.0125 0.0096 -0.0074 678 ARG 70 HH22 0.0155 0.0117 -0.0095 679 LEU 71 N -0.0028 0.0069 0.0031 680 LEU 71 CA -0.0008 0.0065 0.0050 681 LEU 71 C 0.0018 0.0065 0.0037 682 LEU 71 O 0.0033 0.0063 0.0046 683 LEU 71 CB -0.0004 0.0062 0.0066 684 LEU 71 CG -0.0029 0.0062 0.0081 685 LEU 71 CD1 -0.0022 0.0059 0.0097 686 LEU 71 CD2 -0.0041 0.0060 0.0098 687 LEU 71 H -0.0035 0.0069 0.0028 688 LEU 71 HA -0.0014 0.0063 0.0063 689 LEU 71 HB2 0.0002 0.0064 0.0053 690 LEU 71 HB3 0.0011 0.0059 0.0080 691 LEU 71 HG -0.0044 0.0065 0.0067 692 LEU 71 HD11 -0.0007 0.0056 0.0111 693 LEU 71 HD12 -0.0014 0.0060 0.0085 694 LEU 71 HD13 -0.0039 0.0059 0.0107 695 LEU 71 HD21 -0.0047 0.0062 0.0087 696 LEU 71 HD22 -0.0026 0.0057 0.0112 697 LEU 71 HD23 -0.0057 0.0060 0.0109 698 LYS 72 N 0.0029 0.0077 0.0016 699 LYS 72 CA 0.0026 0.0056 0.0010 700 LYS 72 C 0.0031 0.0062 -0.0019 701 LYS 72 O 0.0029 0.0042 -0.0036 702 LYS 72 CB 0.0023 0.0056 0.0034 703 LYS 72 CG 0.0019 0.0033 0.0030 704 LYS 72 CD 0.0016 0.0033 0.0056 705 LYS 72 CE 0.0012 0.0011 0.0052 706 LYS 72 NZ 0.0008 0.0009 0.0077 707 LYS 72 H 0.0030 0.0090 0.0033 708 LYS 72 HA 0.0022 0.0036 0.0008 709 LYS 72 HB2 0.0020 0.0052 0.0054 710 LYS 72 HB3 0.0027 0.0076 0.0036 711 LYS 72 HG2 0.0022 0.0038 0.0011 712 LYS 72 HG3 0.0015 0.0013 0.0027 713 LYS 72 HD2 0.0013 0.0029 0.0075 714 LYS 72 HD3 0.0019 0.0054 0.0058 715 LYS 72 HE2 0.0015 0.0016 0.0034 716 LYS 72 HE3 0.0008 -0.0009 0.0049 717 LYS 72 HZ1 0.0012 0.0029 0.0081 718 LYS 72 HZ2 0.0005 0.0005 0.0095 719 LYS 72 HZ3 0.0006 -0.0006 0.0074 720 GLN 73 N 0.0009 0.0061 -0.0008 721 GLN 73 CA 0.0017 0.0064 -0.0008 722 GLN 73 C 0.0018 0.0062 -0.0037 723 GLN 73 O 0.0011 0.0060 -0.0042 724 GLN 73 CB 0.0043 0.0074 0.0004 725 GLN 73 CG 0.0044 0.0077 0.0032 726 GLN 73 CD 0.0071 0.0087 0.0043 727 GLN 73 OE1 0.0089 0.0092 0.0029 728 GLN 73 NE2 0.0072 0.0089 0.0069 729 GLN 73 H 0.0021 0.0066 -0.0003 730 GLN 73 HA 0.0004 0.0060 0.0003 731 GLN 73 HB2 0.0056 0.0078 -0.0008 732 GLN 73 HB3 0.0049 0.0076 0.0002 733 GLN 73 HG2 0.0032 0.0073 0.0044 734 GLN 73 HG3 0.0038 0.0074 0.0034 735 GLN 73 HE21 0.0057 0.0084 0.0079 736 GLN 73 HE22 0.0089 0.0095 0.0077 737 LEU 74 N 0.0039 0.0078 -0.0081 738 LEU 74 CA 0.0049 0.0067 -0.0109 739 LEU 74 C 0.0059 -0.0002 -0.0110 740 LEU 74 O 0.0070 -0.0020 -0.0141 741 LEU 74 CB 0.0035 0.0103 -0.0079 742 LEU 74 CG 0.0043 0.0103 -0.0107 743 LEU 74 CD1 0.0057 0.0128 -0.0171 744 LEU 74 CD2 0.0028 0.0140 -0.0071 745 LEU 74 H 0.0026 0.0091 -0.0040 746 LEU 74 HA 0.0059 0.0084 -0.0154 747 LEU 74 HB2 0.0027 0.0149 -0.0075 748 LEU 74 HB3 0.0026 0.0082 -0.0036 749 LEU 74 HG 0.0050 0.0057 -0.0108 750 LEU 74 HD11 0.0062 0.0129 -0.0189 751 LEU 74 HD12 0.0051 0.0174 -0.0171 752 LEU 74 HD13 0.0068 0.0100 -0.0197 753 LEU 74 HD21 0.0021 0.0187 -0.0070 754 LEU 74 HD22 0.0033 0.0140 -0.0091 755 LEU 74 HD23 0.0018 0.0121 -0.0027 756 SER 75 N 0.0096 0.0041 -0.0095 757 SER 75 CA 0.0147 -0.0032 -0.0073 758 SER 75 C 0.0112 -0.0112 0.0002 759 SER 75 O 0.0160 -0.0185 0.0027 760 SER 75 CB 0.0253 -0.0050 -0.0117 761 SER 75 OG 0.0305 -0.0117 -0.0099 762 SER 75 H 0.0049 0.0086 -0.0102 763 SER 75 HA 0.0131 -0.0013 -0.0077 764 SER 75 HB2 0.0274 0.0007 -0.0168 765 SER 75 HB3 0.0269 -0.0069 -0.0113 766 SER 75 HG 0.0355 -0.0098 -0.0139 767 VAL 76 N 0.0062 -0.0007 0.0031 768 VAL 76 CA 0.0048 -0.0027 0.0071 769 VAL 76 C 0.0053 -0.0056 0.0096 770 VAL 76 O 0.0070 -0.0090 0.0112 771 VAL 76 CB 0.0008 0.0001 0.0091 772 VAL 76 CG1 -0.0006 -0.0019 0.0133 773 VAL 76 CG2 0.0002 0.0030 0.0067 774 VAL 76 H 0.0047 0.0020 0.0021 775 VAL 76 HA 0.0061 -0.0041 0.0070 776 VAL 76 HB -0.0004 0.0016 0.0091 777 VAL 76 HG11 -0.0034 0.0001 0.0146 778 VAL 76 HG12 0.0007 -0.0035 0.0133 779 VAL 76 HG13 -0.0003 -0.0039 0.0150 780 VAL 76 HG21 -0.0025 0.0050 0.0081 781 VAL 76 HG22 0.0012 0.0045 0.0038 782 VAL 76 HG23 0.0015 0.0016 0.0066 783 GLU 77 N 0.0012 0.0048 0.0033 784 GLU 77 CA 0.0029 0.0038 0.0042 785 GLU 77 C 0.0036 0.0025 0.0030 786 GLU 77 O 0.0034 0.0026 0.0029 787 GLU 77 CB 0.0033 0.0047 0.0063 788 GLU 77 CG 0.0023 0.0057 0.0064 789 GLU 77 CD 0.0028 0.0064 0.0084 790 GLU 77 OE1 0.0023 0.0075 0.0097 791 GLU 77 OE2 0.0036 0.0059 0.0088 792 GLU 77 H 0.0005 0.0050 0.0026 793 GLU 77 HA 0.0035 0.0034 0.0043 794 GLU 77 HB2 0.0046 0.0038 0.0067 795 GLU 77 HB3 0.0031 0.0054 0.0072 796 GLU 77 HG2 0.0010 0.0066 0.0060 797 GLU 77 HG3 0.0025 0.0050 0.0055 798 PRO 78 N -0.0051 -0.0033 -0.0021 799 PRO 78 CA -0.0057 -0.0072 0.0011 800 PRO 78 C -0.0037 -0.0078 0.0027 801 PRO 78 O -0.0046 -0.0066 0.0011 802 PRO 78 CB -0.0106 -0.0089 -0.0000 803 PRO 78 CG -0.0123 -0.0061 -0.0035 804 PRO 78 CD -0.0091 -0.0026 -0.0050 805 PRO 78 HA -0.0044 -0.0082 0.0027 806 PRO 78 HB2 -0.0115 -0.0096 0.0000 807 PRO 78 HB3 -0.0115 -0.0113 0.0016 808 PRO 78 HG2 -0.0153 -0.0064 -0.0049 809 PRO 78 HG3 -0.0126 -0.0064 -0.0034 810 PRO 78 HD2 -0.0097 -0.0017 -0.0061 811 PRO 78 HD3 -0.0091 -0.0006 -0.0068 812 TYR 79 N -0.0045 -0.0041 -0.0033 813 TYR 79 CA 0.0142 -0.0054 0.0006 814 TYR 79 C 0.0298 0.0128 -0.0041 815 TYR 79 O 0.0282 0.0288 -0.0108 816 TYR 79 CB 0.0084 -0.0090 0.0010 817 TYR 79 CG -0.0044 -0.0288 0.0068 818 TYR 79 CD1 -0.0265 -0.0301 0.0034 819 TYR 79 CD2 0.0059 -0.0462 0.0157 820 TYR 79 CE1 -0.0381 -0.0481 0.0086 821 TYR 79 CE2 -0.0056 -0.0644 0.0210 822 TYR 79 CZ -0.0276 -0.0652 0.0174 823 TYR 79 OH -0.0392 -0.0835 0.0228 824 TYR 79 H -0.0062 -0.0136 0.0003 825 TYR 79 HA 0.0223 -0.0182 0.0072 826 TYR 79 HB2 -0.0010 0.0030 -0.0055 827 TYR 79 HB3 0.0230 -0.0091 0.0037 828 TYR 79 HD1 -0.0347 -0.0167 -0.0036 829 TYR 79 HD2 0.0232 -0.0455 0.0185 830 TYR 79 HE1 -0.0554 -0.0487 0.0058 831 TYR 79 HE2 0.0027 -0.0778 0.0279 832 TYR 79 HH -0.0322 -0.0931 0.0279 833 SER 80 N 0.0199 0.0026 0.0001 834 SER 80 CA 0.0174 0.0035 0.0034 835 SER 80 C 0.0176 0.0034 0.0044 836 SER 80 O 0.0202 0.0024 0.0030 837 SER 80 CB 0.0133 0.0050 0.0020 838 SER 80 OG 0.0106 0.0059 0.0052 839 SER 80 H 0.0190 0.0029 -0.0026 840 SER 80 HA 0.0181 0.0031 0.0060 841 SER 80 HB2 0.0133 0.0050 0.0011 842 SER 80 HB3 0.0124 0.0053 -0.0005 843 SER 80 HG 0.0109 0.0058 0.0069 844 GLN 81 N 0.0036 0.0015 0.0010 845 GLN 81 CA -0.0009 0.0016 0.0002 846 GLN 81 C -0.0021 0.0061 0.0007 847 GLN 81 O 0.0006 0.0080 0.0016 848 GLN 81 CB -0.0022 -0.0020 -0.0007 849 GLN 81 CG -0.0071 -0.0023 -0.0016 850 GLN 81 CD -0.0084 -0.0056 -0.0024 851 GLN 81 OE1 -0.0062 -0.0065 -0.0021 852 GLN 81 NE2 -0.0121 -0.0075 -0.0033 853 GLN 81 H 0.0057 -0.0004 0.0010 854 GLN 81 HA -0.0027 0.0013 -0.0002 855 GLN 81 HB2 -0.0009 -0.0051 -0.0009 856 GLN 81 HB3 -0.0008 -0.0014 -0.0003 857 GLN 81 HG2 -0.0084 0.0008 -0.0013 858 GLN 81 HG3 -0.0085 -0.0032 -0.0020 859 GLN 81 HE21 -0.0137 -0.0067 -0.0035 860 GLN 81 HE22 -0.0131 -0.0096 -0.0039 861 GLU 82 N -0.0161 0.0072 0.0040 862 GLU 82 CA -0.0186 0.0122 0.0001 863 GLU 82 C -0.0147 0.0197 0.0012 864 GLU 82 O -0.0159 0.0249 -0.0017 865 GLU 82 CB -0.0202 0.0089 -0.0003 866 GLU 82 CG -0.0230 0.0134 -0.0043 867 GLU 82 CD -0.0247 0.0096 -0.0046 868 GLU 82 OE1 -0.0210 0.0094 -0.0011 869 GLU 82 OE2 -0.0297 0.0068 -0.0083 870 GLU 82 H -0.0176 0.0065 0.0029 871 GLU 82 HA -0.0223 0.0128 -0.0035 872 GLU 82 HB2 -0.0231 0.0037 -0.0012 873 GLU 82 HB3 -0.0165 0.0079 0.0035 874 GLU 82 HG2 -0.0200 0.0185 -0.0033 875 GLU 82 HG3 -0.0267 0.0145 -0.0081 876 GLU 83 N 0.0084 0.0072 0.0021 877 GLU 83 CA 0.0100 0.0100 0.0027 878 GLU 83 C 0.0113 0.0121 0.0033 879 GLU 83 O 0.0118 0.0145 0.0016 880 GLU 83 CB 0.0107 0.0094 0.0054 881 GLU 83 CG 0.0124 0.0122 0.0063 882 GLU 83 CD 0.0129 0.0114 0.0087 883 GLU 83 OE1 0.0136 0.0106 0.0115 884 GLU 83 OE2 0.0127 0.0116 0.0079 885 GLU 83 H 0.0084 0.0062 0.0035 886 GLU 83 HA 0.0097 0.0110 0.0006 887 GLU 83 HB2 0.0098 0.0080 0.0048 888 GLU 83 HB3 0.0109 0.0083 0.0074 889 GLU 83 HG2 0.0134 0.0135 0.0072 890 GLU 83 HG3 0.0123 0.0134 0.0042 891 ALA 84 N 0.0328 0.0049 -0.0036 892 ALA 84 CA 0.0484 -0.0018 0.0076 893 ALA 84 C 0.0378 -0.0098 0.0212 894 ALA 84 O 0.0466 -0.0180 0.0350 895 ALA 84 CB 0.0619 -0.0071 0.0166 896 ALA 84 H 0.0259 0.0022 0.0011 897 ALA 84 HA 0.0576 0.0033 -0.0010 898 ALA 84 HB1 0.0730 -0.0121 0.0250 899 ALA 84 HB2 0.0525 -0.0119 0.0247 900 ALA 84 HB3 0.0701 -0.0011 0.0065 901 GLU 85 N -0.0039 -0.0041 0.0076 902 GLU 85 CA -0.0155 -0.0103 0.0110 903 GLU 85 C -0.0239 0.0014 0.0126 904 GLU 85 O -0.0221 0.0057 0.0119 905 GLU 85 CB -0.0122 -0.0210 0.0107 906 GLU 85 CG -0.0233 -0.0304 0.0142 907 GLU 85 CD -0.0344 -0.0239 0.0167 908 GLU 85 OE1 -0.0333 -0.0237 0.0164 909 GLU 85 OE2 -0.0442 -0.0190 0.0191 910 GLU 85 H -0.0033 0.0056 0.0069 911 GLU 85 HA -0.0204 -0.0150 0.0126 912 GLU 85 HB2 -0.0039 -0.0273 0.0089 913 GLU 85 HB3 -0.0092 -0.0157 0.0097 914 GLU 85 HG2 -0.0272 -0.0321 0.0153 915 GLU 85 HG3 -0.0194 -0.0396 0.0137 916 ARG 86 N -0.0575 0.0196 0.0460 917 ARG 86 CA -0.0778 0.0339 0.0309 918 ARG 86 C -0.0870 0.0321 0.0486 919 ARG 86 O -0.0698 0.0190 0.0645 920 ARG 86 CB -0.0652 0.0400 -0.0044 921 ARG 86 CG -0.0313 0.0269 -0.0112 922 ARG 86 CD -0.0232 0.0184 0.0032 923 ARG 86 NE 0.0096 0.0052 -0.0018 924 ARG 86 CZ 0.0245 -0.0065 0.0128 925 ARG 86 NH1 0.0097 -0.0065 0.0327 926 ARG 86 NH2 0.0544 -0.0182 0.0072 927 ARG 86 H -0.0383 0.0092 0.0511 928 ARG 86 HA -0.0982 0.0431 0.0311 929 ARG 86 HB2 -0.0779 0.0487 -0.0130 930 ARG 86 HB3 -0.0689 0.0462 -0.0176 931 ARG 86 HG2 -0.0251 0.0326 -0.0365 932 ARG 86 HG3 -0.0183 0.0180 -0.0024 933 ARG 86 HD2 -0.0310 0.0136 0.0282 934 ARG 86 HD3 -0.0342 0.0271 -0.0077 935 ARG 86 HE 0.0210 0.0051 -0.0171 936 ARG 86 HH11 -0.0129 0.0020 0.0379 937 ARG 86 HH12 0.0206 -0.0152 0.0438 938 ARG 86 HH21 0.0663 -0.0186 -0.0079 939 ARG 86 HH22 0.0666 -0.0273 0.0177 940 ALA 87 N -0.0395 0.0265 0.0104 941 ALA 87 CA 0.0054 0.0220 -0.0468 942 ALA 87 C -0.0033 -0.0024 0.0462 943 ALA 87 O 0.0693 -0.0387 0.0478 944 ALA 87 CB 0.1262 -0.0221 -0.0969 945 ALA 87 H 0.0075 -0.0120 0.0601 946 ALA 87 HA -0.0418 0.0671 -0.1175 947 ALA 87 HB1 0.1727 -0.0668 -0.0263 948 ALA 87 HB2 0.1312 -0.0043 -0.1625 949 ALA 87 HB3 0.1608 -0.0268 -0.1371 950 ALA 88 N -0.0630 0.0338 0.0434 951 ALA 88 CA -0.0587 0.0286 0.0309 952 ALA 88 C -0.0405 0.0042 0.0337 953 ALA 88 O -0.0302 -0.0089 0.0154 954 ALA 88 CB -0.0636 0.0361 0.0008 955 ALA 88 H -0.0560 0.0246 0.0390 956 ALA 88 HA -0.0655 0.0373 0.0419 957 ALA 88 HB1 -0.0568 0.0274 -0.0105 958 ALA 88 HB2 -0.0767 0.0537 -0.0006 959 ALA 88 HB3 -0.0605 0.0324 -0.0077 960 GLY 89 N 0.1100 -0.0206 0.0496 961 GLY 89 CA 0.1020 -0.0249 0.0515 962 GLY 89 C 0.1067 -0.0249 0.0556 963 GLY 89 O 0.1133 -0.0260 0.0636 964 GLY 89 H 0.1171 -0.0173 0.0490 965 GLY 89 HA2 0.0977 -0.0294 0.0570 966 GLY 89 HA3 0.0966 -0.0238 0.0444 967 MET 90 N -0.0336 0.0099 -0.0234 968 MET 90 CA -0.0148 0.0125 -0.0201 969 MET 90 C 0.0098 0.0021 -0.0516 970 MET 90 O -0.0023 -0.0090 -0.0780 971 MET 90 CB -0.0422 0.0133 -0.0129 972 MET 90 CG -0.0256 0.0188 -0.0018 973 MET 90 SD 0.0051 0.0090 -0.0331 974 MET 90 CE 0.0147 0.0178 -0.0120 975 MET 90 H -0.0283 0.0168 -0.0065 976 MET 90 HA 0.0030 0.0222 0.0015 977 MET 90 HB2 -0.0613 0.0197 0.0072 978 MET 90 HB3 -0.0574 0.0033 -0.0359 979 MET 90 HG2 -0.0104 0.0289 0.0212 980 MET 90 HG3 -0.0479 0.0195 0.0042 981 MET 90 HE1 0.0275 0.0281 0.0120 982 MET 90 HE2 0.0330 0.0129 -0.0281 983 MET 90 HE3 -0.0105 0.0178 -0.0073 984 GLY 91 N 0.0419 0.0343 -0.0699 985 GLY 91 CA 0.0071 0.0080 -0.0058 986 GLY 91 C -0.0210 0.0014 -0.0171 987 GLY 91 O -0.0862 -0.0184 -0.0245 988 GLY 91 H 0.0141 0.0362 -0.1182 989 GLY 91 HA2 0.0455 0.0097 0.0420 990 GLY 91 HA3 -0.0376 -0.0087 0.0029 991 SER 92 N -0.0101 -0.0286 0.0270 992 SER 92 CA -0.0058 -0.0277 0.0297 993 SER 92 C 0.0057 -0.0336 0.0446 994 SER 92 O 0.0180 -0.0282 0.0495 995 SER 92 CB 0.0003 -0.0126 0.0203 996 SER 92 OG -0.0107 -0.0074 0.0064 997 SER 92 H -0.0025 -0.0231 0.0280 998 SER 92 HA -0.0157 -0.0339 0.0275 999 SER 92 HB2 0.0103 -0.0063 0.0224 1000 SER 92 HB3 0.0031 -0.0119 0.0219 1001 SER 92 HG -0.0184 -0.0143 0.0067 1002 TYR 93 N 0.0058 0.0023 -0.0129 1003 TYR 93 CA 0.0045 0.0031 -0.0114 1004 TYR 93 C 0.0010 0.0030 -0.0152 1005 TYR 93 O -0.0010 0.0028 -0.0180 1006 TYR 93 CB 0.0023 0.0051 -0.0067 1007 TYR 93 CG 0.0014 0.0060 -0.0044 1008 TYR 93 CD1 0.0048 0.0058 -0.0014 1009 TYR 93 CD2 -0.0028 0.0070 -0.0051 1010 TYR 93 CE1 0.0041 0.0067 0.0007 1011 TYR 93 CE2 -0.0036 0.0079 -0.0030 1012 TYR 93 CZ -0.0002 0.0077 -0.0001 1013 TYR 93 OH -0.0009 0.0085 0.0020 1014 TYR 93 H 0.0034 0.0030 -0.0130 1015 TYR 93 HA 0.0076 0.0023 -0.0111 1016 TYR 93 HB2 0.0046 0.0051 -0.0043 1017 TYR 93 HB3 -0.0010 0.0059 -0.0073 1018 TYR 93 HD1 0.0081 0.0050 -0.0008 1019 TYR 93 HD2 -0.0055 0.0072 -0.0074 1020 TYR 93 HE1 0.0068 0.0065 0.0030 1021 TYR 93 HE2 -0.0069 0.0087 -0.0036 1022 TYR 93 HH -0.0022 0.0082 -0.0004 1023 VAL 94 N -0.0042 0.0010 0.0108 1024 VAL 94 CA -0.0015 0.0050 0.0073 1025 VAL 94 C -0.0031 0.0088 0.0078 1026 VAL 94 O -0.0029 0.0070 0.0081 1027 VAL 94 CB 0.0031 0.0024 0.0037 1028 VAL 94 CG1 0.0039 -0.0017 0.0040 1029 VAL 94 CG2 0.0058 0.0068 0.0001 1030 VAL 94 H -0.0030 -0.0029 0.0107 1031 VAL 94 HA -0.0019 0.0075 0.0070 1032 VAL 94 HB 0.0040 0.0003 0.0034 1033 VAL 94 HG11 0.0071 -0.0034 0.0014 1034 VAL 94 HG12 0.0029 0.0002 0.0045 1035 VAL 94 HG13 0.0022 -0.0050 0.0064 1036 VAL 94 HG21 0.0048 0.0091 0.0004 1037 VAL 94 HG22 0.0090 0.0049 -0.0024 1038 VAL 94 HG23 0.0055 0.0095 -0.0003