1 ASP 28 N 0.0010 0.0022 0.0096 2 ASP 28 CA -0.0087 -0.0004 0.0088 3 ASP 28 C -0.0107 0.0006 0.0077 4 ASP 28 O -0.0078 0.0070 0.0044 5 ASP 28 CB -0.0146 0.0044 0.0043 6 ASP 28 CG -0.0247 0.0020 0.0033 7 ASP 28 OD1 -0.0281 -0.0047 0.0067 8 ASP 28 OD2 -0.0293 0.0069 -0.0010 9 ASP 28 H 0.0025 0.0017 0.0103 10 ASP 28 HA -0.0100 -0.0066 0.0124 11 ASP 28 HB2 -0.0131 0.0036 0.0052 12 ASP 28 HB3 -0.0130 0.0106 0.0008 13 PRO 29 N 0.0079 0.0123 0.0144 14 PRO 29 CA -0.0265 0.0052 0.0153 15 PRO 29 C -0.0453 0.0262 0.0351 16 PRO 29 O -0.0387 0.0364 0.0417 17 PRO 29 CB -0.0333 -0.0188 -0.0021 18 PRO 29 CG -0.0018 -0.0284 -0.0154 19 PRO 29 CD 0.0227 -0.0055 -0.0022 20 PRO 29 HA -0.0330 0.0009 0.0131 21 PRO 29 HB2 -0.0441 -0.0134 0.0041 22 PRO 29 HB3 -0.0498 -0.0327 -0.0098 23 PRO 29 HG2 -0.0013 -0.0374 -0.0225 24 PRO 29 HG3 0.0024 -0.0420 -0.0267 25 PRO 29 HD2 0.0273 0.0027 0.0032 26 PRO 29 HD3 0.0444 -0.0110 -0.0106 27 ASN 30 N -0.0199 0.0285 -0.0382 28 ASN 30 CA -0.0028 0.0065 -0.0218 29 ASN 30 C -0.0016 -0.0107 -0.0137 30 ASN 30 O 0.0186 -0.0062 -0.0080 31 ASN 30 CB 0.0266 0.0182 -0.0157 32 ASN 30 CG 0.0467 -0.0031 0.0015 33 ASN 30 OD1 0.0474 -0.0158 0.0074 34 ASN 30 ND2 0.0636 -0.0066 0.0096 35 ASN 30 H -0.0344 0.0300 -0.0445 36 ASN 30 HA -0.0132 -0.0073 -0.0197 37 ASN 30 HB2 0.0237 0.0277 -0.0211 38 ASN 30 HB3 0.0345 0.0339 -0.0197 39 ASN 30 HD21 0.0626 0.0045 0.0042 40 ASN 30 HD22 0.0766 -0.0204 0.0207 41 ALA 31 N -0.0022 -0.0432 0.0190 42 ALA 31 CA -0.0041 -0.0336 0.0101 43 ALA 31 C 0.0020 -0.0398 -0.0020 44 ALA 31 O 0.0052 -0.0406 -0.0127 45 ALA 31 CB -0.0079 -0.0218 0.0048 46 ALA 31 H 0.0025 -0.0516 0.0155 47 ALA 31 HA -0.0072 -0.0302 0.0162 48 ALA 31 HB1 -0.0094 -0.0147 -0.0014 49 ALA 31 HB2 -0.0048 -0.0251 -0.0015 50 ALA 31 HB3 -0.0122 -0.0174 0.0134 51 GLU 32 N 0.0026 -0.0206 -0.0016 52 GLU 32 CA 0.0129 -0.0172 -0.0106 53 GLU 32 C 0.0015 -0.0213 -0.0248 54 GLU 32 O 0.0055 -0.0200 -0.0315 55 GLU 32 CB 0.0287 -0.0119 -0.0200 56 GLU 32 CG 0.0245 -0.0135 -0.0350 57 GLU 32 CD 0.0408 -0.0081 -0.0442 58 GLU 32 OE1 0.0469 -0.0062 -0.0580 59 GLU 32 OE2 0.0480 -0.0055 -0.0378 60 GLU 32 H 0.0042 -0.0201 -0.0063 61 GLU 32 HA 0.0170 -0.0156 0.0001 62 GLU 32 HB2 0.0360 -0.0095 -0.0263 63 GLU 32 HB3 0.0363 -0.0091 -0.0095 64 GLU 32 HG2 0.0176 -0.0158 -0.0289 65 GLU 32 HG3 0.0164 -0.0165 -0.0454 66 PHE 33 N 0.0056 0.0137 -0.0151 67 PHE 33 CA 0.0030 0.0149 -0.0179 68 PHE 33 C 0.0011 0.0125 -0.0156 69 PHE 33 O 0.0012 0.0098 -0.0119 70 PHE 33 CB -0.0010 0.0155 -0.0207 71 PHE 33 CG -0.0042 0.0128 -0.0186 72 PHE 33 CD1 -0.0078 0.0105 -0.0172 73 PHE 33 CD2 -0.0034 0.0126 -0.0179 74 PHE 33 CE1 -0.0107 0.0080 -0.0152 75 PHE 33 CE2 -0.0063 0.0101 -0.0159 76 PHE 33 CZ -0.0099 0.0078 -0.0145 77 PHE 33 H 0.0039 0.0122 -0.0138 78 PHE 33 HA 0.0054 0.0170 -0.0197 79 PHE 33 HB2 -0.0032 0.0161 -0.0225 80 PHE 33 HB3 0.0004 0.0174 -0.0227 81 PHE 33 HD1 -0.0085 0.0106 -0.0177 82 PHE 33 HD2 -0.0006 0.0144 -0.0190 83 PHE 33 HE1 -0.0135 0.0063 -0.0141 84 PHE 33 HE2 -0.0057 0.0100 -0.0154 85 PHE 33 HZ -0.0121 0.0059 -0.0129 86 ASP 34 N -0.0081 0.0171 -0.0018 87 ASP 34 CA -0.0101 0.0104 0.0022 88 ASP 34 C -0.0130 0.0046 -0.0035 89 ASP 34 O -0.0136 0.0050 -0.0091 90 ASP 34 CB -0.0098 0.0094 0.0070 91 ASP 34 CG -0.0116 0.0029 0.0119 92 ASP 34 OD1 -0.0141 -0.0028 0.0092 93 ASP 34 OD2 -0.0105 0.0034 0.0186 94 ASP 34 H -0.0079 0.0186 -0.0042 95 ASP 34 HA -0.0097 0.0101 0.0056 96 ASP 34 HB2 -0.0076 0.0139 0.0104 97 ASP 34 HB3 -0.0104 0.0092 0.0034 98 PRO 35 N -0.0195 0.0205 -0.0134 99 PRO 35 CA -0.0046 0.0188 -0.0142 100 PRO 35 C -0.0071 0.0084 -0.0118 101 PRO 35 O 0.0046 0.0066 -0.0123 102 PRO 35 CB -0.0009 0.0367 -0.0182 103 PRO 35 CG -0.0180 0.0446 -0.0186 104 PRO 35 CD -0.0287 0.0363 -0.0160 105 PRO 35 HA 0.0060 0.0136 -0.0139 106 PRO 35 HB2 0.0058 0.0370 -0.0188 107 PRO 35 HB3 0.0066 0.0423 -0.0200 108 PRO 35 HG2 -0.0232 0.0426 -0.0178 109 PRO 35 HG3 -0.0172 0.0577 -0.0214 110 PRO 35 HD2 -0.0413 0.0341 -0.0146 111 PRO 35 HD3 -0.0293 0.0438 -0.0176 112 ASP 36 N -0.0800 -0.1341 0.0782 113 ASP 36 CA -0.0612 -0.0473 0.0546 114 ASP 36 C -0.0625 0.0479 0.0378 115 ASP 36 O -0.0915 0.1320 0.0345 116 ASP 36 CB 0.0348 -0.0645 0.0182 117 ASP 36 CG 0.0599 0.0248 -0.0085 118 ASP 36 OD1 0.0174 0.0406 0.0062 119 ASP 36 OD2 0.1240 0.0812 -0.0452 120 ASP 36 H -0.0280 -0.1645 0.0623 121 ASP 36 HA -0.1175 -0.0391 0.0764 122 ASP 36 HB2 0.0314 -0.1308 0.0316 123 ASP 36 HB3 0.0905 -0.0792 -0.0021 124 LEU 37 N -0.0124 0.0134 0.0169 125 LEU 37 CA -0.0111 0.0200 0.0130 126 LEU 37 C -0.0163 0.0227 0.0103 127 LEU 37 O -0.0176 0.0202 0.0116 128 LEU 37 CB -0.0032 0.0221 0.0132 129 LEU 37 CG 0.0027 0.0216 0.0146 130 LEU 37 CD1 0.0012 0.0255 0.0119 131 LEU 37 CD2 0.0035 0.0150 0.0190 132 LEU 37 H -0.0101 0.0107 0.0191 133 LEU 37 HA -0.0120 0.0218 0.0117 134 LEU 37 HB2 -0.0019 0.0193 0.0152 135 LEU 37 HB3 -0.0029 0.0269 0.0102 136 LEU 37 HG 0.0078 0.0237 0.0143 137 LEU 37 HD11 0.0055 0.0251 0.0129 138 LEU 37 HD12 -0.0039 0.0238 0.0120 139 LEU 37 HD13 0.0011 0.0303 0.0089 140 LEU 37 HD21 0.0076 0.0149 0.0198 141 LEU 37 HD22 0.0050 0.0124 0.0209 142 LEU 37 HD23 -0.0016 0.0129 0.0193 143 PRO 38 N -0.0182 0.0214 0.0138 144 PRO 38 CA -0.0180 0.0210 0.0151 145 PRO 38 C -0.0100 0.0158 0.0143 146 PRO 38 O -0.0053 0.0141 0.0081 147 PRO 38 CB -0.0220 0.0254 0.0076 148 PRO 38 CG -0.0265 0.0291 0.0049 149 PRO 38 CD -0.0223 0.0259 0.0064 150 PRO 38 HA -0.0210 0.0214 0.0213 151 PRO 38 HB2 -0.0178 0.0239 0.0023 152 PRO 38 HB3 -0.0255 0.0272 0.0099 153 PRO 38 HG2 -0.0272 0.0312 -0.0020 154 PRO 38 HG3 -0.0320 0.0318 0.0088 155 PRO 38 HD2 -0.0184 0.0247 0.0007 156 PRO 38 HD3 -0.0260 0.0280 0.0082 157 GLY 39 N -0.0081 0.0165 0.0087 158 GLY 39 CA -0.0001 0.0111 0.0087 159 GLY 39 C 0.0020 0.0108 0.0111 160 GLY 39 O 0.0074 0.0061 0.0089 161 GLY 39 H -0.0093 0.0195 0.0135 162 GLY 39 HA2 0.0036 0.0105 0.0130 163 GLY 39 HA3 0.0006 0.0077 0.0024 164 GLY 40 N -0.0034 0.0186 0.0029 165 GLY 40 CA -0.0021 0.0170 0.0032 166 GLY 40 C -0.0006 0.0169 0.0010 167 GLY 40 O 0.0008 0.0156 0.0009 168 GLY 40 H -0.0047 0.0197 0.0033 169 GLY 40 HA2 -0.0028 0.0170 0.0041 170 GLY 40 HA3 -0.0015 0.0156 0.0041 171 GLY 41 N 0.0021 0.0076 0.0071 172 GLY 41 CA 0.0032 0.0074 0.0040 173 GLY 41 C 0.0056 0.0052 0.0031 174 GLY 41 O 0.0069 0.0046 0.0007 175 GLY 41 H 0.0008 0.0089 0.0074 176 GLY 41 HA2 0.0022 0.0091 0.0024 177 GLY 41 HA3 0.0034 0.0073 0.0039 178 LEU 42 N 0.0108 0.0002 -0.0053 179 LEU 42 CA 0.0079 -0.0048 -0.0043 180 LEU 42 C 0.0078 -0.0073 -0.0001 181 LEU 42 O 0.0053 -0.0116 0.0007 182 LEU 42 CB 0.0080 -0.0057 -0.0024 183 LEU 42 CG 0.0081 -0.0035 -0.0061 184 LEU 42 CD1 0.0082 -0.0046 -0.0037 185 LEU 42 CD2 0.0052 -0.0050 -0.0114 186 LEU 42 H 0.0128 0.0020 -0.0030 187 LEU 42 HA 0.0058 -0.0061 -0.0079 188 LEU 42 HB2 0.0101 -0.0045 0.0013 189 LEU 42 HB3 0.0058 -0.0095 -0.0017 190 LEU 42 HG 0.0103 0.0003 -0.0068 191 LEU 42 HD11 0.0083 -0.0031 -0.0064 192 LEU 42 HD12 0.0061 -0.0084 -0.0029 193 LEU 42 HD13 0.0104 -0.0033 -0.0001 194 LEU 42 HD21 0.0030 -0.0087 -0.0109 195 LEU 42 HD22 0.0053 -0.0034 -0.0139 196 LEU 42 HD23 0.0053 -0.0039 -0.0133 197 HIS 43 N 0.0094 -0.0101 -0.0055 198 HIS 43 CA 0.0097 -0.0109 -0.0070 199 HIS 43 C 0.0078 -0.0083 -0.0112 200 HIS 43 O 0.0056 -0.0046 -0.0105 201 HIS 43 CB 0.0095 -0.0098 -0.0031 202 HIS 43 CG 0.0111 -0.0119 0.0015 203 HIS 43 ND1 0.0136 -0.0158 0.0023 204 HIS 43 CD2 0.0107 -0.0105 0.0056 205 HIS 43 CE1 0.0145 -0.0168 0.0067 206 HIS 43 NE2 0.0128 -0.0136 0.0088 207 HIS 43 H 0.0078 -0.0073 -0.0047 208 HIS 43 HA 0.0115 -0.0141 -0.0083 209 HIS 43 HB2 0.0075 -0.0066 -0.0024 210 HIS 43 HB3 0.0099 -0.0108 -0.0044 211 HIS 43 HD1 0.0145 -0.0177 -0.0000 212 HIS 43 HD2 0.0089 -0.0076 0.0063 213 HIS 43 HE1 0.0164 -0.0196 0.0083 214 HIS 43 HE2 0.0132 -0.0138 0.0118 215 ARG 44 N 0.0115 -0.0037 0.0060 216 ARG 44 CA 0.0115 -0.0041 0.0065 217 ARG 44 C 0.0111 -0.0047 0.0073 218 ARG 44 O 0.0105 -0.0046 0.0074 219 ARG 44 CB 0.0108 -0.0038 0.0063 220 ARG 44 CG 0.0109 -0.0032 0.0055 221 ARG 44 CD 0.0102 -0.0029 0.0054 222 ARG 44 NE 0.0102 -0.0023 0.0046 223 ARG 44 CZ 0.0097 -0.0020 0.0044 224 ARG 44 NH1 0.0091 -0.0022 0.0048 225 ARG 44 NH2 0.0097 -0.0014 0.0036 226 ARG 44 H 0.0109 -0.0036 0.0060 227 ARG 44 HA 0.0122 -0.0043 0.0065 228 ARG 44 HB2 0.0101 -0.0038 0.0065 229 ARG 44 HB3 0.0110 -0.0041 0.0066 230 ARG 44 HG2 0.0116 -0.0032 0.0053 231 ARG 44 HG3 0.0108 -0.0029 0.0052 232 ARG 44 HD2 0.0095 -0.0029 0.0056 233 ARG 44 HD3 0.0103 -0.0032 0.0057 234 ARG 44 HE 0.0106 -0.0021 0.0042 235 ARG 44 HH11 0.0090 -0.0027 0.0054 236 ARG 44 HH12 0.0087 -0.0020 0.0047 237 ARG 44 HH21 0.0101 -0.0012 0.0032 238 ARG 44 HH22 0.0093 -0.0012 0.0035 239 CYS 45 N 0.0078 -0.0022 0.0117 240 CYS 45 CA 0.0086 -0.0008 0.0116 241 CYS 45 C 0.0094 -0.0013 0.0138 242 CYS 45 O 0.0088 -0.0030 0.0146 243 CYS 45 CB 0.0075 -0.0010 0.0098 244 CYS 45 SG 0.0084 0.0005 0.0099 245 CYS 45 H 0.0069 -0.0037 0.0117 246 CYS 45 HA 0.0093 0.0008 0.0112 247 CYS 45 HB2 0.0071 -0.0005 0.0082 248 CYS 45 HB3 0.0067 -0.0027 0.0099 249 LEU 46 N 0.0113 -0.0012 0.0264 250 LEU 46 CA 0.0153 -0.0013 0.0151 251 LEU 46 C 0.0188 0.0078 0.0113 252 LEU 46 O 0.0226 0.0129 0.0040 253 LEU 46 CB 0.0146 -0.0123 0.0104 254 LEU 46 CG 0.0114 -0.0219 0.0131 255 LEU 46 CD1 0.0106 -0.0324 0.0088 256 LEU 46 CD2 0.0130 -0.0209 0.0093 257 LEU 46 H 0.0087 -0.0072 0.0296 258 LEU 46 HA 0.0165 -0.0001 0.0128 259 LEU 46 HB2 0.0134 -0.0135 0.0129 260 LEU 46 HB3 0.0176 -0.0121 0.0021 261 LEU 46 HG 0.0084 -0.0217 0.0214 262 LEU 46 HD11 0.0092 -0.0333 0.0121 263 LEU 46 HD12 0.0084 -0.0391 0.0105 264 LEU 46 HD13 0.0136 -0.0322 0.0004 265 LEU 46 HD21 0.0132 -0.0139 0.0131 266 LEU 46 HD22 0.0161 -0.0205 0.0010 267 LEU 46 HD23 0.0107 -0.0280 0.0112 268 ALA 47 N 0.0091 0.0024 0.0131 269 ALA 47 CA 0.0080 0.0027 0.0112 270 ALA 47 C 0.0058 0.0034 0.0115 271 ALA 47 O 0.0046 0.0037 0.0102 272 ALA 47 CB 0.0088 0.0024 0.0095 273 ALA 47 H 0.0101 0.0021 0.0132 274 ALA 47 HA 0.0082 0.0026 0.0107 275 ALA 47 HB1 0.0081 0.0027 0.0081 276 ALA 47 HB2 0.0086 0.0025 0.0099 277 ALA 47 HB3 0.0104 0.0020 0.0093 278 CYS 48 N 0.0102 0.0021 0.0105 279 CYS 48 CA 0.0072 0.0009 0.0105 280 CYS 48 C 0.0064 -0.0006 0.0134 281 CYS 48 O 0.0041 -0.0017 0.0138 282 CYS 48 CB 0.0056 0.0009 0.0085 283 CYS 48 SG 0.0059 0.0024 0.0051 284 CYS 48 H 0.0111 0.0023 0.0110 285 CYS 48 HA 0.0067 0.0009 0.0098 286 CYS 48 HB2 0.0061 0.0011 0.0086 287 CYS 48 HB3 0.0034 -0.0000 0.0086 288 ALA 49 N 0.0081 0.0014 0.0158 289 ALA 49 CA 0.0076 -0.0004 0.0192 290 ALA 49 C 0.0057 -0.0034 0.0162 291 ALA 49 O 0.0044 -0.0063 0.0185 292 ALA 49 CB 0.0067 -0.0031 0.0239 293 ALA 49 H 0.0097 0.0047 0.0154 294 ALA 49 HA 0.0092 0.0026 0.0204 295 ALA 49 HB1 0.0050 -0.0060 0.0227 296 ALA 49 HB2 0.0081 -0.0009 0.0259 297 ALA 49 HB3 0.0064 -0.0041 0.0265 298 ARG 50 N 0.0082 -0.0048 0.0130 299 ARG 50 CA 0.0007 -0.0084 0.0112 300 ARG 50 C -0.0042 -0.0114 0.0101 301 ARG 50 O -0.0043 -0.0075 0.0097 302 ARG 50 CB -0.0040 -0.0023 0.0093 303 ARG 50 CG 0.0002 0.0006 0.0103 304 ARG 50 CD -0.0048 0.0065 0.0083 305 ARG 50 NE -0.0008 0.0096 0.0092 306 ARG 50 CZ -0.0036 0.0154 0.0078 307 ARG 50 NH1 -0.0107 0.0186 0.0055 308 ARG 50 NH2 0.0005 0.0179 0.0088 309 ARG 50 H 0.0082 0.0006 0.0125 310 ARG 50 HA 0.0021 -0.0137 0.0121 311 ARG 50 HB2 -0.0053 0.0030 0.0085 312 ARG 50 HB3 -0.0096 -0.0053 0.0080 313 ARG 50 HG2 0.0014 -0.0047 0.0111 314 ARG 50 HG3 0.0059 0.0036 0.0116 315 ARG 50 HD2 -0.0061 0.0118 0.0075 316 ARG 50 HD3 -0.0104 0.0034 0.0070 317 ARG 50 HE 0.0044 0.0070 0.0109 318 ARG 50 HH11 -0.0141 0.0168 0.0047 319 ARG 50 HH12 -0.0131 0.0229 0.0045 320 ARG 50 HH21 0.0059 0.0156 0.0105 321 ARG 50 HH22 -0.0015 0.0224 0.0078 322 TYR 51 N -0.0007 0.0091 -0.0045 323 TYR 51 CA 0.0010 0.0095 -0.0028 324 TYR 51 C 0.0011 0.0094 -0.0033 325 TYR 51 O -0.0010 0.0094 -0.0035 326 TYR 51 CB -0.0000 0.0102 -0.0001 327 TYR 51 CG -0.0004 0.0104 0.0005 328 TYR 51 CD1 -0.0027 0.0104 -0.0000 329 TYR 51 CD2 0.0016 0.0106 0.0016 330 TYR 51 CE1 -0.0031 0.0106 0.0005 331 TYR 51 CE2 0.0013 0.0108 0.0022 332 TYR 51 CZ -0.0011 0.0108 0.0017 333 TYR 51 OH -0.0014 0.0109 0.0022 334 TYR 51 H -0.0025 0.0093 -0.0042 335 TYR 51 HA 0.0030 0.0094 -0.0029 336 TYR 51 HB2 -0.0019 0.0104 -0.0000 337 TYR 51 HB3 0.0013 0.0105 0.0012 338 TYR 51 HD1 -0.0043 0.0102 -0.0009 339 TYR 51 HD2 0.0035 0.0107 0.0020 340 TYR 51 HE1 -0.0049 0.0105 0.0001 341 TYR 51 HE2 0.0029 0.0110 0.0031 342 TYR 51 HH -0.0031 0.0112 0.0029 343 PHE 52 N 0.0038 -0.0034 -0.0064 344 PHE 52 CA 0.0036 -0.0036 -0.0081 345 PHE 52 C 0.0032 -0.0032 -0.0101 346 PHE 52 O 0.0026 -0.0020 -0.0101 347 PHE 52 CB 0.0030 -0.0021 -0.0078 348 PHE 52 CG 0.0034 -0.0024 -0.0058 349 PHE 52 CD1 0.0034 -0.0016 -0.0039 350 PHE 52 CD2 0.0039 -0.0034 -0.0059 351 PHE 52 CE1 0.0038 -0.0018 -0.0021 352 PHE 52 CE2 0.0043 -0.0036 -0.0041 353 PHE 52 CZ 0.0042 -0.0028 -0.0021 354 PHE 52 H 0.0033 -0.0021 -0.0060 355 PHE 52 HA 0.0043 -0.0050 -0.0082 356 PHE 52 HB2 0.0024 -0.0007 -0.0077 357 PHE 52 HB3 0.0029 -0.0023 -0.0091 358 PHE 52 HD1 0.0030 -0.0008 -0.0038 359 PHE 52 HD2 0.0040 -0.0040 -0.0074 360 PHE 52 HE1 0.0037 -0.0012 -0.0006 361 PHE 52 HE2 0.0047 -0.0044 -0.0041 362 PHE 52 HZ 0.0045 -0.0030 -0.0007 363 ILE 53 N -0.0031 0.0022 -0.0113 364 ILE 53 CA 0.0013 0.0060 -0.0060 365 ILE 53 C 0.0088 0.0041 -0.0053 366 ILE 53 O 0.0121 0.0074 -0.0010 367 ILE 53 CB 0.0017 0.0073 -0.0046 368 ILE 53 CG1 0.0046 0.0022 -0.0087 369 ILE 53 CG2 -0.0055 0.0104 -0.0041 370 ILE 53 CD1 0.0055 0.0031 -0.0075 371 ILE 53 H -0.0049 0.0007 -0.0133 372 ILE 53 HA -0.0013 0.0097 -0.0033 373 ILE 53 HB 0.0054 0.0099 -0.0008 374 ILE 53 HG12 0.0011 -0.0005 -0.0125 375 ILE 53 HG13 0.0098 0.0002 -0.0088 376 ILE 53 HG21 -0.0094 0.0079 -0.0078 377 ILE 53 HG22 -0.0072 0.0141 -0.0010 378 ILE 53 HG23 -0.0051 0.0112 -0.0031 379 ILE 53 HD11 0.0092 0.0056 -0.0038 380 ILE 53 HD12 0.0074 -0.0007 -0.0106 381 ILE 53 HD13 0.0004 0.0050 -0.0073 382 ASP 54 N 0.0036 -0.0110 -0.0122 383 ASP 54 CA 0.0003 -0.0142 -0.0103 384 ASP 54 C 0.0021 -0.0119 -0.0112 385 ASP 54 O 0.0045 -0.0067 -0.0121 386 ASP 54 CB -0.0052 -0.0128 -0.0059 387 ASP 54 CG -0.0089 -0.0163 -0.0037 388 ASP 54 OD1 -0.0105 -0.0218 -0.0035 389 ASP 54 OD2 -0.0103 -0.0135 -0.0022 390 ASP 54 H 0.0052 -0.0067 -0.0126 391 ASP 54 HA 0.0006 -0.0191 -0.0114 392 ASP 54 HB2 -0.0062 -0.0142 -0.0053 393 ASP 54 HB3 -0.0054 -0.0079 -0.0048 394 SER 55 N -0.0012 -0.0160 -0.0071 395 SER 55 CA 0.0009 -0.0161 -0.0096 396 SER 55 C -0.0016 -0.0101 -0.0069 397 SER 55 O 0.0007 -0.0068 -0.0099 398 SER 55 CB 0.0006 -0.0241 -0.0087 399 SER 55 OG 0.0024 -0.0246 -0.0109 400 SER 55 H -0.0027 -0.0205 -0.0048 401 SER 55 HA 0.0046 -0.0148 -0.0143 402 SER 55 HB2 0.0027 -0.0280 -0.0112 403 SER 55 HB3 -0.0030 -0.0260 -0.0042 404 SER 55 HG -0.0002 -0.0234 -0.0078 405 THR 56 N -0.0100 -0.0168 -0.0090 406 THR 56 CA -0.0150 -0.0080 -0.0070 407 THR 56 C -0.0091 -0.0020 -0.0066 408 THR 56 O -0.0079 0.0068 -0.0053 409 THR 56 CB -0.0252 -0.0101 -0.0063 410 THR 56 OG1 -0.0302 -0.0167 -0.0069 411 THR 56 CG2 -0.0310 -0.0010 -0.0041 412 THR 56 H -0.0134 -0.0229 -0.0097 413 THR 56 HA -0.0156 -0.0039 -0.0063 414 THR 56 HB -0.0242 -0.0134 -0.0069 415 THR 56 HG1 -0.0279 -0.0231 -0.0082 416 THR 56 HG21 -0.0381 -0.0027 -0.0037 417 THR 56 HG22 -0.0318 0.0024 -0.0035 418 THR 56 HG23 -0.0273 0.0040 -0.0037 419 ASN 57 N -0.0009 -0.0033 -0.0134 420 ASN 57 CA 0.0023 -0.0031 -0.0121 421 ASN 57 C 0.0041 -0.0019 -0.0103 422 ASN 57 O 0.0058 -0.0005 -0.0082 423 ASN 57 CB 0.0044 -0.0057 -0.0140 424 ASN 57 CG 0.0036 -0.0064 -0.0151 425 ASN 57 OD1 0.0051 -0.0059 -0.0140 426 ASN 57 ND2 0.0012 -0.0077 -0.0172 427 ASN 57 H -0.0012 -0.0050 -0.0152 428 ASN 57 HA 0.0019 -0.0019 -0.0111 429 ASN 57 HB2 0.0038 -0.0070 -0.0156 430 ASN 57 HB3 0.0070 -0.0057 -0.0132 431 ASN 57 HD21 0.0000 -0.0081 -0.0180 432 ASN 57 HD22 0.0007 -0.0082 -0.0179 433 LEU 58 N 0.0039 -0.0038 -0.0113 434 LEU 58 CA 0.0061 -0.0027 -0.0101 435 LEU 58 C 0.0059 0.0003 -0.0100 436 LEU 58 O 0.0072 0.0016 -0.0093 437 LEU 58 CB 0.0072 -0.0039 -0.0096 438 LEU 58 CG 0.0093 -0.0029 -0.0084 439 LEU 58 CD1 0.0088 -0.0005 -0.0085 440 LEU 58 CD2 0.0110 -0.0023 -0.0074 441 LEU 58 H 0.0032 -0.0048 -0.0117 442 LEU 58 HA 0.0072 -0.0032 -0.0095 443 LEU 58 HB2 0.0075 -0.0059 -0.0095 444 LEU 58 HB3 0.0059 -0.0039 -0.0103 445 LEU 58 HG 0.0101 -0.0042 -0.0080 446 LEU 58 HD11 0.0104 0.0002 -0.0076 447 LEU 58 HD12 0.0080 0.0009 -0.0089 448 LEU 58 HD13 0.0077 -0.0010 -0.0091 449 LEU 58 HD21 0.0103 -0.0008 -0.0077 450 LEU 58 HD22 0.0126 -0.0016 -0.0066 451 LEU 58 HD23 0.0114 -0.0040 -0.0073 452 LYS 59 N 0.0046 0.0003 -0.0091 453 LYS 59 CA 0.0020 0.0041 -0.0059 454 LYS 59 C 0.0019 0.0102 -0.0024 455 LYS 59 O 0.0029 0.0145 -0.0002 456 LYS 59 CB -0.0046 0.0014 -0.0053 457 LYS 59 CG -0.0098 0.0001 -0.0041 458 LYS 59 CD -0.0159 -0.0030 -0.0038 459 LYS 59 CE -0.0188 0.0006 -0.0007 460 LYS 59 NZ -0.0208 0.0058 0.0031 461 LYS 59 H 0.0022 -0.0034 -0.0104 462 LYS 59 HA 0.0053 0.0048 -0.0067 463 LYS 59 HB2 -0.0061 0.0042 -0.0031 464 LYS 59 HB3 -0.0041 -0.0027 -0.0078 465 LYS 59 HG2 -0.0082 -0.0025 -0.0062 466 LYS 59 HG3 -0.0106 0.0042 -0.0015 467 LYS 59 HD2 -0.0149 -0.0068 -0.0064 468 LYS 59 HD3 -0.0193 -0.0043 -0.0034 469 LYS 59 HE2 -0.0154 0.0020 -0.0011 470 LYS 59 HE3 -0.0229 -0.0020 -0.0008 471 LYS 59 HZ1 -0.0243 0.0046 0.0036 472 LYS 59 HZ2 -0.0227 0.0082 0.0051 473 LYS 59 HZ3 -0.0171 0.0086 0.0034 474 THR 60 N -0.0035 0.0048 -0.0007 475 THR 60 CA -0.0030 0.0101 0.0028 476 THR 60 C -0.0002 0.0144 -0.0015 477 THR 60 O 0.0003 0.0177 -0.0000 478 THR 60 CB -0.0032 0.0133 0.0067 479 THR 60 OG1 -0.0058 0.0093 0.0107 480 THR 60 CG2 -0.0026 0.0190 0.0103 481 THR 60 H -0.0038 0.0040 -0.0006 482 THR 60 HA -0.0043 0.0087 0.0056 483 THR 60 HB -0.0018 0.0145 0.0036 484 THR 60 HG1 -0.0061 0.0062 0.0084 485 THR 60 HG21 -0.0028 0.0211 0.0130 486 THR 60 HG22 -0.0040 0.0177 0.0133 487 THR 60 HG23 -0.0007 0.0220 0.0073 488 HIS 61 N 0.0036 0.0047 -0.0050 489 HIS 61 CA 0.0034 0.0040 -0.0039 490 HIS 61 C 0.0040 0.0051 -0.0036 491 HIS 61 O 0.0038 0.0046 -0.0033 492 HIS 61 CB 0.0034 0.0034 -0.0022 493 HIS 61 CG 0.0035 0.0032 -0.0007 494 HIS 61 ND1 0.0030 0.0020 -0.0006 495 HIS 61 CD2 0.0042 0.0040 0.0006 496 HIS 61 CE1 0.0033 0.0022 0.0008 497 HIS 61 NE2 0.0040 0.0034 0.0015 498 HIS 61 H 0.0037 0.0049 -0.0046 499 HIS 61 HA 0.0028 0.0031 -0.0045 500 HIS 61 HB2 0.0028 0.0024 -0.0024 501 HIS 61 HB3 0.0039 0.0042 -0.0019 502 HIS 61 HD1 0.0024 0.0012 -0.0013 503 HIS 61 HD2 0.0048 0.0050 0.0009 504 HIS 61 HE1 0.0031 0.0016 0.0013 505 PHE 62 N 0.0037 0.0027 -0.0012 506 PHE 62 CA 0.0044 0.0038 -0.0009 507 PHE 62 C 0.0040 0.0046 -0.0021 508 PHE 62 O 0.0046 0.0056 -0.0021 509 PHE 62 CB 0.0052 0.0047 -0.0004 510 PHE 62 CG 0.0056 0.0040 0.0006 511 PHE 62 CD1 0.0059 0.0033 0.0017 512 PHE 62 CD2 0.0056 0.0042 0.0005 513 PHE 62 CE1 0.0062 0.0026 0.0027 514 PHE 62 CE2 0.0059 0.0036 0.0015 515 PHE 62 CZ 0.0062 0.0028 0.0026 516 PHE 62 H 0.0035 0.0028 -0.0014 517 PHE 62 HA 0.0047 0.0034 -0.0002 518 PHE 62 HB2 0.0050 0.0053 -0.0011 519 PHE 62 HB3 0.0058 0.0053 -0.0001 520 PHE 62 HD1 0.0059 0.0031 0.0018 521 PHE 62 HD2 0.0054 0.0048 -0.0003 522 PHE 62 HE1 0.0064 0.0020 0.0035 523 PHE 62 HE2 0.0060 0.0038 0.0014 524 PHE 62 HZ 0.0065 0.0023 0.0033 525 ARG 63 N -0.0049 0.0034 0.0034 526 ARG 63 CA -0.0041 0.0018 -0.0043 527 ARG 63 C -0.0102 0.0004 -0.0104 528 ARG 63 O -0.0107 -0.0010 -0.0171 529 ARG 63 CB -0.0046 0.0020 -0.0033 530 ARG 63 CG 0.0025 0.0032 0.0014 531 ARG 63 CD 0.0018 0.0033 0.0023 532 ARG 63 NE 0.0013 0.0017 -0.0054 533 ARG 63 CZ 0.0019 0.0015 -0.0065 534 ARG 63 NH1 0.0035 0.0029 -0.0003 535 ARG 63 NH2 0.0010 0.0000 -0.0137 536 ARG 63 H -0.0075 0.0043 0.0080 537 ARG 63 HA 0.0019 0.0015 -0.0065 538 ARG 63 HB2 -0.0102 0.0025 -0.0002 539 ARG 63 HB3 -0.0046 0.0008 -0.0092 540 ARG 63 HG2 0.0081 0.0027 -0.0018 541 ARG 63 HG3 0.0027 0.0044 0.0072 542 ARG 63 HD2 0.0070 0.0041 0.0055 543 ARG 63 HD3 -0.0037 0.0039 0.0057 544 ARG 63 HE 0.0003 0.0007 -0.0101 545 ARG 63 HH11 0.0043 0.0040 0.0053 546 ARG 63 HH12 0.0039 0.0027 -0.0009 547 ARG 63 HH21 -0.0001 -0.0010 -0.0185 548 ARG 63 HH22 0.0014 -0.0002 -0.0148 549 SER 64 N -0.0094 -0.0064 -0.0156 550 SER 64 CA -0.0111 -0.0081 -0.0157 551 SER 64 C -0.0087 -0.0056 -0.0153 552 SER 64 O -0.0074 -0.0043 -0.0116 553 SER 64 CB -0.0134 -0.0104 -0.0116 554 SER 64 OG -0.0152 -0.0122 -0.0112 555 SER 64 H -0.0092 -0.0061 -0.0127 556 SER 64 HA -0.0124 -0.0095 -0.0188 557 SER 64 HB2 -0.0120 -0.0089 -0.0086 558 SER 64 HB3 -0.0150 -0.0120 -0.0120 559 SER 64 HG -0.0167 -0.0138 -0.0135 560 LYS 65 N -0.0183 -0.0134 -0.0292 561 LYS 65 CA -0.0209 -0.0030 -0.0201 562 LYS 65 C -0.0069 -0.0030 -0.0126 563 LYS 65 O -0.0080 0.0011 -0.0091 564 LYS 65 CB -0.0293 0.0092 -0.0121 565 LYS 65 CG -0.0227 0.0117 -0.0060 566 LYS 65 CD -0.0071 0.0129 0.0033 567 LYS 65 CE -0.0011 0.0154 0.0090 568 LYS 65 NZ 0.0144 0.0158 0.0176 569 LYS 65 H -0.0202 -0.0121 -0.0290 570 LYS 65 HA -0.0284 -0.0044 -0.0254 571 LYS 65 HB2 -0.0295 0.0163 -0.0050 572 LYS 65 HB3 -0.0409 0.0097 -0.0177 573 LYS 65 HG2 -0.0301 0.0200 -0.0016 574 LYS 65 HG3 -0.0221 0.0046 -0.0130 575 LYS 65 HD2 0.0006 0.0047 -0.0009 576 LYS 65 HD3 -0.0079 0.0202 0.0103 577 LYS 65 HE2 -0.0085 0.0239 0.0138 578 LYS 65 HE3 -0.0013 0.0084 0.0018 579 LYS 65 HZ1 0.0151 0.0224 0.0247 580 LYS 65 HZ2 0.0219 0.0077 0.0134 581 LYS 65 HZ3 0.0180 0.0178 0.0215 582 ASP 66 N -0.0110 -0.0026 -0.0144 583 ASP 66 CA -0.0034 -0.0023 -0.0113 584 ASP 66 C -0.0008 -0.0072 -0.0143 585 ASP 66 O 0.0035 -0.0064 -0.0120 586 ASP 66 CB 0.0022 -0.0032 -0.0100 587 ASP 66 CG 0.0098 -0.0018 -0.0060 588 ASP 66 OD1 0.0107 0.0036 -0.0012 589 ASP 66 OD2 0.0149 -0.0061 -0.0075 590 ASP 66 H -0.0115 -0.0042 -0.0159 591 ASP 66 HA -0.0038 0.0023 -0.0077 592 ASP 66 HB2 -0.0003 -0.0003 -0.0085 593 ASP 66 HB3 0.0031 -0.0081 -0.0135 594 HIS 67 N 0.0003 -0.0079 -0.0086 595 HIS 67 CA 0.0006 -0.0073 -0.0058 596 HIS 67 C 0.0032 -0.0067 -0.0054 597 HIS 67 O 0.0033 -0.0064 -0.0043 598 HIS 67 CB 0.0004 -0.0070 -0.0040 599 HIS 67 CG 0.0005 -0.0065 -0.0011 600 HIS 67 ND1 -0.0006 -0.0065 0.0000 601 HIS 67 CD2 0.0008 -0.0061 0.0008 602 HIS 67 CE1 -0.0011 -0.0062 0.0025 603 HIS 67 NE2 -0.0003 -0.0059 0.0031 604 HIS 67 H 0.0001 -0.0080 -0.0091 605 HIS 67 HA -0.0010 -0.0075 -0.0051 606 HIS 67 HB2 -0.0014 -0.0074 -0.0040 607 HIS 67 HB3 0.0020 -0.0067 -0.0045 608 HIS 67 HD1 -0.0011 -0.0068 -0.0008 609 HIS 67 HD2 0.0020 -0.0059 0.0003 610 HIS 67 HE1 -0.0020 -0.0061 0.0040 611 LYS 68 N -0.0003 -0.0029 -0.0017 612 LYS 68 CA 0.0009 -0.0034 -0.0016 613 LYS 68 C 0.0018 -0.0028 -0.0027 614 LYS 68 O 0.0030 -0.0031 -0.0028 615 LYS 68 CB 0.0006 -0.0035 -0.0013 616 LYS 68 CG -0.0004 -0.0040 -0.0003 617 LYS 68 CD -0.0008 -0.0042 -0.0000 618 LYS 68 CE -0.0013 -0.0032 -0.0008 619 LYS 68 NZ -0.0017 -0.0033 -0.0006 620 LYS 68 H -0.0010 -0.0026 -0.0016 621 LYS 68 HA 0.0013 -0.0040 -0.0011 622 LYS 68 HB2 0.0002 -0.0028 -0.0019 623 LYS 68 HB3 0.0014 -0.0039 -0.0012 624 LYS 68 HG2 -0.0002 -0.0047 0.0003 625 LYS 68 HG3 -0.0013 -0.0036 -0.0004 626 LYS 68 HD2 0.0001 -0.0045 0.0000 627 LYS 68 HD3 -0.0014 -0.0046 0.0007 628 LYS 68 HE2 -0.0022 -0.0028 -0.0009 629 LYS 68 HE3 -0.0006 -0.0028 -0.0016 630 LYS 68 HZ1 -0.0009 -0.0037 -0.0005 631 LYS 68 HZ2 -0.0021 -0.0027 -0.0011 632 LYS 68 HZ3 -0.0024 -0.0037 0.0001 633 LYS 69 N -0.0045 -0.0091 -0.0089 634 LYS 69 CA -0.0027 -0.0071 -0.0090 635 LYS 69 C 0.0004 -0.0077 -0.0114 636 LYS 69 O 0.0016 -0.0081 -0.0124 637 LYS 69 CB -0.0025 -0.0038 -0.0073 638 LYS 69 CG -0.0001 -0.0012 -0.0076 639 LYS 69 CD -0.0001 0.0019 -0.0059 640 LYS 69 CE 0.0023 0.0047 -0.0060 641 LYS 69 NZ 0.0021 0.0075 -0.0044 642 LYS 69 H -0.0053 -0.0081 -0.0077 643 LYS 69 HA -0.0038 -0.0076 -0.0085 644 LYS 69 HB2 -0.0046 -0.0033 -0.0056 645 LYS 69 HB3 -0.0021 -0.0037 -0.0075 646 LYS 69 HG2 0.0020 -0.0019 -0.0093 647 LYS 69 HG3 -0.0005 -0.0010 -0.0072 648 LYS 69 HD2 -0.0022 0.0023 -0.0042 649 LYS 69 HD3 0.0001 0.0015 -0.0063 650 LYS 69 HE2 0.0045 0.0043 -0.0077 651 LYS 69 HE3 0.0020 0.0052 -0.0055 652 LYS 69 HZ1 0.0038 0.0096 -0.0044 653 LYS 69 HZ2 0.0024 0.0070 -0.0048 654 LYS 69 HZ3 0.0000 0.0079 -0.0028 655 ARG 70 N 0.0020 -0.0100 -0.0081 656 ARG 70 CA 0.0027 -0.0104 -0.0078 657 ARG 70 C 0.0012 -0.0096 -0.0088 658 ARG 70 O 0.0010 -0.0094 -0.0080 659 ARG 70 CB 0.0048 -0.0117 -0.0088 660 ARG 70 CG 0.0057 -0.0122 -0.0083 661 ARG 70 CD 0.0059 -0.0122 -0.0057 662 ARG 70 NE 0.0067 -0.0126 -0.0052 663 ARG 70 CZ 0.0064 -0.0123 -0.0033 664 ARG 70 NH1 0.0052 -0.0114 -0.0017 665 ARG 70 NH2 0.0072 -0.0127 -0.0030 666 ARG 70 H 0.0027 -0.0105 -0.0091 667 ARG 70 HA 0.0029 -0.0104 -0.0059 668 ARG 70 HB2 0.0057 -0.0123 -0.0082 669 ARG 70 HB3 0.0045 -0.0117 -0.0106 670 ARG 70 HG2 0.0071 -0.0131 -0.0091 671 ARG 70 HG3 0.0047 -0.0117 -0.0090 672 ARG 70 HD2 0.0045 -0.0113 -0.0050 673 ARG 70 HD3 0.0069 -0.0127 -0.0050 674 ARG 70 HE 0.0076 -0.0132 -0.0063 675 ARG 70 HH11 0.0045 -0.0111 -0.0019 676 ARG 70 HH12 0.0049 -0.0111 -0.0003 677 ARG 70 HH21 0.0081 -0.0133 -0.0041 678 ARG 70 HH22 0.0069 -0.0125 -0.0016 679 LEU 71 N 0.0038 -0.0068 -0.0011 680 LEU 71 CA 0.0042 -0.0057 -0.0003 681 LEU 71 C 0.0044 -0.0071 -0.0011 682 LEU 71 O 0.0037 -0.0065 -0.0009 683 LEU 71 CB 0.0064 -0.0048 0.0007 684 LEU 71 CG 0.0064 -0.0034 0.0016 685 LEU 71 CD1 0.0086 -0.0025 0.0026 686 LEU 71 CD2 0.0045 -0.0018 0.0020 687 LEU 71 H 0.0049 -0.0070 -0.0009 688 LEU 71 HA 0.0029 -0.0046 0.0000 689 LEU 71 HB2 0.0077 -0.0060 0.0003 690 LEU 71 HB3 0.0067 -0.0041 0.0012 691 LEU 71 HG 0.0064 -0.0042 0.0011 692 LEU 71 HD11 0.0088 -0.0017 0.0031 693 LEU 71 HD12 0.0100 -0.0037 0.0022 694 LEU 71 HD13 0.0087 -0.0015 0.0032 695 LEU 71 HD21 0.0030 -0.0025 0.0013 696 LEU 71 HD22 0.0045 -0.0010 0.0025 697 LEU 71 HD23 0.0047 -0.0008 0.0026 698 LYS 72 N -0.0069 -0.0093 -0.0043 699 LYS 72 CA -0.0074 -0.0067 -0.0028 700 LYS 72 C -0.0057 -0.0065 -0.0001 701 LYS 72 O -0.0056 -0.0051 0.0012 702 LYS 72 CB -0.0086 -0.0050 -0.0032 703 LYS 72 CG -0.0093 -0.0022 -0.0018 704 LYS 72 CD -0.0105 -0.0007 -0.0024 705 LYS 72 CE -0.0112 0.0022 -0.0010 706 LYS 72 NZ -0.0125 0.0037 -0.0016 707 LYS 72 H -0.0072 -0.0098 -0.0052 708 LYS 72 HA -0.0083 -0.0059 -0.0035 709 LYS 72 HB2 -0.0098 -0.0052 -0.0051 710 LYS 72 HB3 -0.0077 -0.0058 -0.0026 711 LYS 72 HG2 -0.0081 -0.0020 0.0002 712 LYS 72 HG3 -0.0101 -0.0014 -0.0023 713 LYS 72 HD2 -0.0117 -0.0009 -0.0043 714 LYS 72 HD3 -0.0097 -0.0015 -0.0018 715 LYS 72 HE2 -0.0100 0.0024 0.0010 716 LYS 72 HE3 -0.0120 0.0029 -0.0015 717 LYS 72 HZ1 -0.0118 0.0030 -0.0012 718 LYS 72 HZ2 -0.0137 0.0035 -0.0035 719 LYS 72 HZ3 -0.0130 0.0056 -0.0006 720 GLN 73 N -0.0046 -0.0118 -0.0059 721 GLN 73 CA -0.0041 -0.0113 -0.0071 722 GLN 73 C -0.0043 -0.0112 -0.0106 723 GLN 73 O -0.0053 -0.0120 -0.0121 724 GLN 73 CB -0.0017 -0.0094 -0.0060 725 GLN 73 CG -0.0014 -0.0093 -0.0026 726 GLN 73 CD 0.0011 -0.0073 -0.0016 727 GLN 73 OE1 0.0028 -0.0058 -0.0030 728 GLN 73 NE2 0.0013 -0.0073 0.0009 729 GLN 73 H -0.0033 -0.0108 -0.0048 730 GLN 73 HA -0.0054 -0.0125 -0.0063 731 GLN 73 HB2 -0.0004 -0.0082 -0.0068 732 GLN 73 HB3 -0.0014 -0.0090 -0.0070 733 GLN 73 HG2 -0.0026 -0.0104 -0.0018 734 GLN 73 HG3 -0.0017 -0.0097 -0.0015 735 GLN 73 HE21 -0.0001 -0.0086 0.0020 736 GLN 73 HE22 0.0028 -0.0061 0.0017 737 LEU 74 N -0.0063 -0.0149 -0.0080 738 LEU 74 CA -0.0091 -0.0106 -0.0108 739 LEU 74 C -0.0109 -0.0107 -0.0117 740 LEU 74 O -0.0140 -0.0080 -0.0142 741 LEU 74 CB -0.0061 -0.0052 -0.0106 742 LEU 74 CG -0.0086 -0.0002 -0.0134 743 LEU 74 CD1 -0.0131 -0.0006 -0.0158 744 LEU 74 CD2 -0.0051 0.0047 -0.0128 745 LEU 74 H -0.0028 -0.0142 -0.0062 746 LEU 74 HA -0.0123 -0.0111 -0.0124 747 LEU 74 HB2 -0.0046 -0.0055 -0.0097 748 LEU 74 HB3 -0.0032 -0.0049 -0.0090 749 LEU 74 HG -0.0099 0.0003 -0.0142 750 LEU 74 HD11 -0.0147 0.0030 -0.0177 751 LEU 74 HD12 -0.0120 -0.0012 -0.0150 752 LEU 74 HD13 -0.0156 -0.0040 -0.0163 753 LEU 74 HD21 -0.0038 0.0044 -0.0120 754 LEU 74 HD22 -0.0069 0.0083 -0.0148 755 LEU 74 HD23 -0.0021 0.0051 -0.0112 756 SER 75 N -0.0020 -0.0060 -0.0022 757 SER 75 CA 0.0011 -0.0032 -0.0011 758 SER 75 C 0.0004 -0.0046 0.0006 759 SER 75 O 0.0028 -0.0031 0.0029 760 SER 75 CB 0.0041 -0.0014 0.0024 761 SER 75 OG 0.0072 0.0015 0.0034 762 SER 75 H -0.0033 -0.0059 -0.0054 763 SER 75 HA 0.0016 -0.0011 -0.0042 764 SER 75 HB2 0.0045 -0.0004 0.0010 765 SER 75 HB3 0.0035 -0.0035 0.0055 766 SER 75 HG 0.0089 0.0035 0.0033 767 VAL 76 N 0.0059 -0.0065 0.0030 768 VAL 76 CA 0.0067 -0.0048 0.0043 769 VAL 76 C 0.0088 -0.0051 0.0049 770 VAL 76 O 0.0093 -0.0043 0.0056 771 VAL 76 CB 0.0067 -0.0041 0.0048 772 VAL 76 CG1 0.0075 -0.0024 0.0061 773 VAL 76 CG2 0.0046 -0.0038 0.0042 774 VAL 76 H 0.0055 -0.0071 0.0025 775 VAL 76 HA 0.0058 -0.0039 0.0046 776 VAL 76 HB 0.0076 -0.0051 0.0045 777 VAL 76 HG11 0.0075 -0.0019 0.0064 778 VAL 76 HG12 0.0067 -0.0014 0.0064 779 VAL 76 HG13 0.0091 -0.0026 0.0065 780 VAL 76 HG21 0.0046 -0.0033 0.0045 781 VAL 76 HG22 0.0040 -0.0050 0.0032 782 VAL 76 HG23 0.0036 -0.0028 0.0045 783 GLU 77 N 0.0034 0.0029 0.0019 784 GLU 77 CA 0.0031 0.0030 0.0018 785 GLU 77 C 0.0029 0.0021 0.0031 786 GLU 77 O 0.0040 0.0015 0.0036 787 GLU 77 CB 0.0043 0.0035 0.0009 788 GLU 77 CG 0.0060 0.0030 0.0012 789 GLU 77 CD 0.0071 0.0035 0.0003 790 GLU 77 OE1 0.0075 0.0042 -0.0007 791 GLU 77 OE2 0.0077 0.0031 0.0007 792 GLU 77 H 0.0041 0.0023 0.0026 793 GLU 77 HA 0.0020 0.0035 0.0014 794 GLU 77 HB2 0.0041 0.0035 0.0010 795 GLU 77 HB3 0.0042 0.0042 -0.0001 796 GLU 77 HG2 0.0063 0.0030 0.0011 797 GLU 77 HG3 0.0061 0.0023 0.0022 798 PRO 78 N -0.0113 0.0121 0.0052 799 PRO 78 CA -0.0125 0.0089 0.0093 800 PRO 78 C -0.0099 0.0102 0.0066 801 PRO 78 O -0.0117 0.0147 0.0028 802 PRO 78 CB -0.0201 0.0104 0.0115 803 PRO 78 CG -0.0225 0.0131 0.0098 804 PRO 78 CD -0.0175 0.0156 0.0046 805 PRO 78 HA -0.0102 0.0049 0.0123 806 PRO 78 HB2 -0.0221 0.0128 0.0099 807 PRO 78 HB3 -0.0215 0.0069 0.0158 808 PRO 78 HG2 -0.0273 0.0159 0.0093 809 PRO 78 HG3 -0.0226 0.0104 0.0128 810 PRO 78 HD2 -0.0187 0.0194 0.0013 811 PRO 78 HD3 -0.0171 0.0159 0.0041 812 TYR 79 N -0.0131 0.0089 0.0152 813 TYR 79 CA -0.0078 0.0085 0.0167 814 TYR 79 C -0.0116 0.0113 0.0254 815 TYR 79 O -0.0082 0.0129 0.0337 816 TYR 79 CB 0.0034 0.0068 0.0171 817 TYR 79 CG 0.0074 0.0038 0.0079 818 TYR 79 CD1 0.0084 0.0033 0.0064 819 TYR 79 CD2 0.0102 0.0015 0.0006 820 TYR 79 CE1 0.0119 0.0005 -0.0021 821 TYR 79 CE2 0.0137 -0.0012 -0.0078 822 TYR 79 CZ 0.0145 -0.0017 -0.0092 823 TYR 79 OH 0.0180 -0.0045 -0.0177 824 TYR 79 H -0.0177 0.0082 0.0096 825 TYR 79 HA -0.0100 0.0072 0.0105 826 TYR 79 HB2 0.0055 0.0079 0.0229 827 TYR 79 HB3 0.0067 0.0066 0.0185 828 TYR 79 HD1 0.0062 0.0050 0.0120 829 TYR 79 HD2 0.0095 0.0019 0.0017 830 TYR 79 HE1 0.0125 0.0002 -0.0030 831 TYR 79 HE2 0.0158 -0.0030 -0.0134 832 TYR 79 HH 0.0145 -0.0052 -0.0228 833 SER 80 N -0.0042 0.0055 0.0103 834 SER 80 CA -0.0020 0.0049 0.0076 835 SER 80 C -0.0024 0.0050 0.0072 836 SER 80 O -0.0048 0.0056 0.0086 837 SER 80 CB 0.0017 0.0041 0.0086 838 SER 80 OG 0.0041 0.0035 0.0059 839 SER 80 H -0.0035 0.0054 0.0127 840 SER 80 HA -0.0027 0.0050 0.0051 841 SER 80 HB2 0.0018 0.0041 0.0090 842 SER 80 HB3 0.0025 0.0040 0.0110 843 SER 80 HG 0.0039 0.0035 0.0041 844 GLN 81 N -0.0032 0.0059 0.0088 845 GLN 81 CA -0.0016 0.0057 0.0064 846 GLN 81 C -0.0011 0.0035 0.0058 847 GLN 81 O -0.0019 0.0016 0.0071 848 GLN 81 CB -0.0009 0.0050 0.0054 849 GLN 81 CG 0.0009 0.0053 0.0028 850 GLN 81 CD 0.0016 0.0044 0.0018 851 GLN 81 OE1 0.0011 0.0026 0.0026 852 GLN 81 NE2 0.0029 0.0057 -0.0001 853 GLN 81 H -0.0038 0.0052 0.0097 854 GLN 81 HA -0.0012 0.0076 0.0057 855 GLN 81 HB2 -0.0014 0.0064 0.0060 856 GLN 81 HB3 -0.0011 0.0030 0.0059 857 GLN 81 HG2 0.0013 0.0040 0.0022 858 GLN 81 HG3 0.0011 0.0074 0.0024 859 GLN 81 HE21 0.0032 0.0071 -0.0007 860 GLN 81 HE22 0.0034 0.0051 -0.0009 861 GLU 82 N 0.0021 -0.0006 0.0062 862 GLU 82 CA 0.0036 -0.0046 0.0044 863 GLU 82 C 0.0020 -0.0044 0.0060 864 GLU 82 O 0.0030 -0.0072 0.0049 865 GLU 82 CB 0.0031 -0.0100 0.0046 866 GLU 82 CG 0.0047 -0.0143 0.0027 867 GLU 82 CD 0.0043 -0.0192 0.0029 868 GLU 82 OE1 0.0013 -0.0215 0.0057 869 GLU 82 OE2 0.0070 -0.0209 0.0001 870 GLU 82 H 0.0036 0.0025 0.0048 871 GLU 82 HA 0.0064 -0.0036 0.0017 872 GLU 82 HB2 0.0044 -0.0098 0.0033 873 GLU 82 HB3 0.0003 -0.0108 0.0074 874 GLU 82 HG2 0.0033 -0.0148 0.0041 875 GLU 82 HG3 0.0076 -0.0135 -0.0000 876 GLU 83 N -0.0030 0.0026 0.0110 877 GLU 83 CA -0.0026 0.0032 0.0111 878 GLU 83 C -0.0009 0.0061 0.0119 879 GLU 83 O 0.0010 0.0069 0.0105 880 GLU 83 CB -0.0049 0.0023 0.0129 881 GLU 83 CG -0.0047 0.0028 0.0132 882 GLU 83 CD -0.0071 0.0015 0.0147 883 GLU 83 OE1 -0.0083 0.0025 0.0170 884 GLU 83 OE2 -0.0077 -0.0005 0.0136 885 GLU 83 H -0.0035 0.0036 0.0125 886 GLU 83 HA -0.0018 0.0022 0.0093 887 GLU 83 HB2 -0.0060 0.0002 0.0122 888 GLU 83 HB3 -0.0058 0.0032 0.0147 889 GLU 83 HG2 -0.0039 0.0049 0.0141 890 GLU 83 HG3 -0.0037 0.0020 0.0113 891 ALA 84 N 0.0017 0.0086 0.0096 892 ALA 84 CA 0.0116 0.0151 0.0162 893 ALA 84 C 0.0133 0.0171 0.0203 894 ALA 84 O 0.0189 0.0221 0.0286 895 ALA 84 CB 0.0102 0.0175 0.0266 896 ALA 84 H -0.0059 0.0066 0.0142 897 ALA 84 HA 0.0188 0.0165 0.0102 898 ALA 84 HB1 0.0174 0.0222 0.0314 899 ALA 84 HB2 0.0026 0.0158 0.0324 900 ALA 84 HB3 0.0097 0.0163 0.0232 901 GLU 85 N -0.0005 0.0128 0.0085 902 GLU 85 CA 0.0028 0.0135 0.0039 903 GLU 85 C 0.0047 0.0069 -0.0001 904 GLU 85 O 0.0034 0.0014 0.0009 905 GLU 85 CB 0.0013 0.0140 0.0062 906 GLU 85 CG 0.0045 0.0162 0.0018 907 GLU 85 CD 0.0071 0.0107 -0.0031 908 GLU 85 OE1 0.0060 0.0062 -0.0021 909 GLU 85 OE2 0.0103 0.0106 -0.0078 910 GLU 85 H -0.0010 0.0083 0.0085 911 GLU 85 HA 0.0048 0.0182 0.0016 912 GLU 85 HB2 -0.0009 0.0177 0.0099 913 GLU 85 HB3 -0.0003 0.0089 0.0076 914 GLU 85 HG2 0.0063 0.0202 -0.0002 915 GLU 85 HG3 0.0032 0.0183 0.0040 916 ARG 86 N 0.0112 -0.0040 0.0008 917 ARG 86 CA 0.0096 0.0003 0.0030 918 ARG 86 C 0.0046 -0.0003 0.0050 919 ARG 86 O 0.0018 -0.0033 0.0053 920 ARG 86 CB 0.0107 0.0043 0.0037 921 ARG 86 CG 0.0098 0.0028 0.0037 922 ARG 86 CD 0.0048 0.0014 0.0054 923 ARG 86 NE 0.0042 -0.0004 0.0052 924 ARG 86 CZ 0.0004 -0.0027 0.0061 925 ARG 86 NH1 -0.0033 -0.0035 0.0076 926 ARG 86 NH2 0.0004 -0.0043 0.0056 927 ARG 86 H 0.0097 -0.0059 0.0009 928 ARG 86 HA 0.0115 0.0014 0.0025 929 ARG 86 HB2 0.0088 0.0071 0.0055 930 ARG 86 HB3 0.0143 0.0056 0.0025 931 ARG 86 HG2 0.0110 0.0058 0.0041 932 ARG 86 HG3 0.0117 -0.0001 0.0019 933 ARG 86 HD2 0.0035 -0.0014 0.0052 934 ARG 86 HD3 0.0030 0.0044 0.0072 935 ARG 86 HE 0.0069 0.0003 0.0041 936 ARG 86 HH11 -0.0035 -0.0024 0.0080 937 ARG 86 HH12 -0.0062 -0.0053 0.0083 938 ARG 86 HH21 0.0032 -0.0038 0.0046 939 ARG 86 HH22 -0.0024 -0.0061 0.0063 940 ALA 87 N 0.0035 -0.0036 -0.0057 941 ALA 87 CA -0.0230 -0.0033 -0.0018 942 ALA 87 C -0.0352 0.0231 0.0143 943 ALA 87 O -0.0468 0.0341 0.0220 944 ALA 87 CB -0.0157 -0.0080 -0.0053 945 ALA 87 H 0.0212 0.0057 -0.0033 946 ALA 87 HA -0.0386 -0.0185 -0.0077 947 ALA 87 HB1 0.0003 0.0069 0.0004 948 ALA 87 HB2 -0.0070 -0.0267 -0.0168 949 ALA 87 HB3 -0.0352 -0.0072 -0.0021 950 ALA 88 N 0.0039 -0.0022 -0.0239 951 ALA 88 CA -0.0010 -0.0042 -0.0032 952 ALA 88 C -0.0247 0.0047 -0.0032 953 ALA 88 O -0.0406 0.0088 0.0067 954 ALA 88 CB 0.0026 -0.0096 0.0187 955 ALA 88 H -0.0070 0.0027 -0.0281 956 ALA 88 HA 0.0102 -0.0083 -0.0037 957 ALA 88 HB1 -0.0087 -0.0055 0.0196 958 ALA 88 HB2 0.0196 -0.0159 0.0182 959 ALA 88 HB3 -0.0009 -0.0112 0.0339 960 GLY 89 N -0.0245 -0.0004 0.0043 961 GLY 89 CA -0.0103 -0.0018 0.0040 962 GLY 89 C 0.0083 -0.0011 0.0049 963 GLY 89 O 0.0125 -0.0111 -0.0003 964 GLY 89 H -0.0220 0.0039 0.0067 965 GLY 89 HA2 -0.0116 -0.0131 -0.0022 966 GLY 89 HA3 -0.0116 0.0080 0.0092 967 MET 90 N -0.0118 -0.0071 -0.0246 968 MET 90 CA -0.0069 -0.0066 -0.0214 969 MET 90 C -0.0024 -0.0112 -0.0249 970 MET 90 O -0.0036 -0.0132 -0.0280 971 MET 90 CB -0.0099 -0.0036 -0.0191 972 MET 90 CG -0.0053 -0.0021 -0.0148 973 MET 90 SD 0.0010 -0.0066 -0.0172 974 MET 90 CE 0.0046 -0.0035 -0.0113 975 MET 90 H -0.0119 -0.0060 -0.0232 976 MET 90 HA -0.0042 -0.0052 -0.0181 977 MET 90 HB2 -0.0135 -0.0006 -0.0172 978 MET 90 HB3 -0.0121 -0.0053 -0.0224 979 MET 90 HG2 -0.0031 -0.0004 -0.0115 980 MET 90 HG3 -0.0081 0.0002 -0.0133 981 MET 90 HE1 0.0063 -0.0016 -0.0079 982 MET 90 HE2 0.0085 -0.0058 -0.0121 983 MET 90 HE3 0.0012 -0.0013 -0.0103 984 GLY 91 N 0.0601 -0.1066 0.0321 985 GLY 91 CA -0.0436 0.0867 0.0191 986 GLY 91 C -0.2559 -0.0547 0.0626 987 GLY 91 O -0.2064 -0.1088 0.0639 988 GLY 91 H 0.1506 -0.2831 0.0446 989 GLY 91 HA2 -0.1398 0.2664 0.0069 990 GLY 91 HA3 0.1282 0.1548 -0.0101 991 SER 92 N 0.0266 -0.0193 -0.0177 992 SER 92 CA 0.0204 -0.0291 -0.0061 993 SER 92 C 0.0161 -0.0238 0.0115 994 SER 92 O 0.0178 -0.0093 0.0176 995 SER 92 CB 0.0213 -0.0275 -0.0078 996 SER 92 OG 0.0254 -0.0326 -0.0245 997 SER 92 H 0.0294 -0.0071 -0.0172 998 SER 92 HA 0.0180 -0.0422 -0.0089 999 SER 92 HB2 0.0237 -0.0145 -0.0050 1000 SER 92 HB3 0.0167 -0.0355 0.0005 1001 SER 92 HG 0.0272 -0.0334 -0.0309 1002 TYR 93 N 0.0068 0.0020 0.0023 1003 TYR 93 CA 0.0045 0.0036 0.0013 1004 TYR 93 C 0.0021 0.0028 -0.0003 1005 TYR 93 O 0.0025 0.0018 -0.0003 1006 TYR 93 CB 0.0047 0.0070 0.0023 1007 TYR 93 CG 0.0025 0.0090 0.0015 1008 TYR 93 CD1 0.0029 0.0096 0.0019 1009 TYR 93 CD2 0.0002 0.0102 0.0004 1010 TYR 93 CE1 0.0009 0.0113 0.0012 1011 TYR 93 CE2 -0.0018 0.0120 -0.0002 1012 TYR 93 CZ -0.0014 0.0125 0.0001 1013 TYR 93 OH -0.0033 0.0142 -0.0006 1014 TYR 93 H 0.0073 0.0026 0.0027 1015 TYR 93 HA 0.0043 0.0029 0.0010 1016 TYR 93 HB2 0.0066 0.0074 0.0035 1017 TYR 93 HB3 0.0046 0.0078 0.0024 1018 TYR 93 HD1 0.0047 0.0086 0.0027 1019 TYR 93 HD2 -0.0002 0.0098 0.0002 1020 TYR 93 HE1 0.0013 0.0117 0.0015 1021 TYR 93 HE2 -0.0036 0.0129 -0.0011 1022 TYR 93 HH -0.0050 0.0135 -0.0017 1023 VAL 94 N 0.0141 0.0028 0.0002 1024 VAL 94 CA 0.0116 0.0011 0.0002 1025 VAL 94 C 0.0109 0.0007 0.0002 1026 VAL 94 O 0.0102 0.0027 0.0010 1027 VAL 94 CB 0.0090 0.0021 0.0011 1028 VAL 94 CG1 0.0084 0.0050 0.0021 1029 VAL 94 CG2 0.0065 0.0002 0.0011 1030 VAL 94 H 0.0140 0.0045 0.0007 1031 VAL 94 HA 0.0120 -0.0009 -0.0005 1032 VAL 94 HB 0.0096 0.0021 0.0010 1033 VAL 94 HG11 0.0067 0.0056 0.0027 1034 VAL 94 HG12 0.0079 0.0052 0.0023 1035 VAL 94 HG13 0.0102 0.0064 0.0021 1036 VAL 94 HG21 0.0059 0.0001 0.0012 1037 VAL 94 HG22 0.0047 0.0009 0.0017 1038 VAL 94 HG23 0.0069 -0.0018 0.0004