1 LYS 1 N 0.0230 -0.0172 -0.0218 2 LYS 1 CA 0.0250 -0.0119 -0.0161 3 LYS 1 C 0.0291 -0.0065 -0.0136 4 LYS 1 O 0.0280 -0.0072 -0.0130 5 LYS 1 CB 0.0188 -0.0135 -0.0096 6 LYS 1 CG 0.0191 -0.0089 -0.0024 7 LYS 1 CD 0.0125 -0.0114 0.0034 8 LYS 1 CE 0.0128 -0.0065 0.0108 9 LYS 1 NZ 0.0066 -0.0090 0.0161 10 LYS 1 H1 0.0202 -0.0208 -0.0235 11 LYS 1 H2 0.0269 -0.0163 -0.0261 12 LYS 1 H3 0.0205 -0.0181 -0.0196 13 LYS 1 HA 0.0275 -0.0109 -0.0183 14 LYS 1 HB3 0.0156 -0.0160 -0.0088 15 LYS 1 HB2 0.0160 -0.0172 -0.0112 16 LYS 1 HG3 0.0219 -0.0067 -0.0031 17 LYS 1 HG2 0.0216 -0.0054 -0.0005 18 LYS 1 HD3 0.0097 -0.0136 0.0040 19 LYS 1 HD2 0.0101 -0.0148 0.0015 20 LYS 1 HE3 0.0163 -0.0038 0.0101 21 LYS 1 HE2 0.0145 -0.0035 0.0131 22 LYS 1 HZ1 0.0070 -0.0056 0.0208 23 LYS 1 HZ2 0.0049 -0.0119 0.0139 24 LYS 1 HZ3 0.0035 -0.0112 0.0171 25 VAL 2 N 0.0259 -0.0111 -0.0125 26 VAL 2 CA 0.0292 -0.0061 -0.0096 27 VAL 2 C 0.0268 -0.0034 -0.0029 28 VAL 2 O 0.0271 -0.0021 -0.0015 29 VAL 2 CB 0.0353 -0.0026 -0.0124 30 VAL 2 CG1 0.0384 0.0025 -0.0092 31 VAL 2 CG2 0.0376 -0.0054 -0.0192 32 VAL 2 H 0.0266 -0.0113 -0.0136 33 VAL 2 HA 0.0286 -0.0067 -0.0097 34 VAL 2 HB 0.0360 -0.0018 -0.0122 35 VAL 2 HG11 0.0428 0.0049 -0.0113 36 VAL 2 HG12 0.0369 0.0045 -0.0045 37 VAL 2 HG13 0.0378 0.0018 -0.0094 38 VAL 2 HG21 0.0420 -0.0030 -0.0213 39 VAL 2 HG22 0.0369 -0.0063 -0.0195 40 VAL 2 HG23 0.0355 -0.0090 -0.0215 41 PHE 3 N 0.0189 -0.0013 0.0057 42 PHE 3 CA 0.0171 0.0004 0.0098 43 PHE 3 C 0.0187 0.0051 0.0105 44 PHE 3 O 0.0210 0.0070 0.0084 45 PHE 3 CB 0.0157 -0.0005 0.0111 46 PHE 3 CG 0.0133 -0.0047 0.0119 47 PHE 3 CD1 0.0137 -0.0081 0.0089 48 PHE 3 CD2 0.0107 -0.0053 0.0155 49 PHE 3 CE1 0.0115 -0.0120 0.0096 50 PHE 3 CE2 0.0085 -0.0091 0.0162 51 PHE 3 CZ 0.0088 -0.0125 0.0133 52 PHE 3 H 0.0194 -0.0025 0.0041 53 PHE 3 HA 0.0155 -0.0008 0.0114 54 PHE 3 HB3 0.0151 0.0018 0.0137 55 PHE 3 HB2 0.0173 -0.0001 0.0091 56 PHE 3 HD1 0.0157 -0.0078 0.0060 57 PHE 3 HD2 0.0103 -0.0028 0.0179 58 PHE 3 HE1 0.0117 -0.0146 0.0073 59 PHE 3 HE2 0.0064 -0.0095 0.0191 60 PHE 3 HZ 0.0071 -0.0155 0.0138 61 GLU 4 N 0.0057 0.0119 0.0170 62 GLU 4 CA 0.0024 0.0220 0.0157 63 GLU 4 C 0.0045 0.0152 0.0113 64 GLU 4 O 0.0083 0.0036 0.0146 65 GLU 4 CB 0.0003 0.0294 0.0293 66 GLU 4 CG -0.0019 0.0366 0.0337 67 GLU 4 CD -0.0035 0.0425 0.0479 68 GLU 4 OE1 -0.0064 0.0517 0.0502 69 GLU 4 OE2 -0.0020 0.0385 0.0569 70 GLU 4 H 0.0070 0.0084 0.0266 71 GLU 4 HA 0.0000 0.0288 0.0077 72 GLU 4 HB3 -0.0020 0.0364 0.0282 73 GLU 4 HB2 0.0027 0.0226 0.0373 74 GLU 4 HG3 0.0002 0.0299 0.0330 75 GLU 4 HG2 -0.0045 0.0443 0.0263 76 ARG 5 N -0.0031 0.0028 0.0188 77 ARG 5 CA -0.0018 0.0010 0.0149 78 ARG 5 C 0.0038 0.0021 0.0094 79 ARG 5 O 0.0076 0.0048 0.0084 80 ARG 5 CB -0.0067 -0.0048 0.0129 81 ARG 5 CG -0.0058 -0.0072 0.0086 82 ARG 5 CD -0.0111 -0.0130 0.0073 83 ARG 5 NE -0.0118 -0.0165 0.0035 84 ARG 5 CZ -0.0097 -0.0191 -0.0026 85 ARG 5 NH1 -0.0063 -0.0184 -0.0058 86 ARG 5 NH2 -0.0109 -0.0225 -0.0056 87 ARG 5 H -0.0070 0.0000 0.0198 88 ARG 5 HA -0.0015 0.0033 0.0176 89 ARG 5 HB3 -0.0075 -0.0071 0.0108 90 ARG 5 HB2 -0.0105 -0.0053 0.0170 91 ARG 5 HG3 -0.0050 -0.0050 0.0107 92 ARG 5 HG2 -0.0022 -0.0071 0.0044 93 ARG 5 HD3 -0.0148 -0.0132 0.0116 94 ARG 5 HD2 -0.0109 -0.0144 0.0052 95 ARG 5 HE -0.0142 -0.0170 0.0059 96 ARG 5 HH12 -0.0047 -0.0204 -0.0104 97 ARG 5 HH11 -0.0052 -0.0158 -0.0036 98 ARG 5 HH22 -0.0093 -0.0244 -0.0102 99 ARG 5 HH21 -0.0135 -0.0230 -0.0032 100 CYS 6 N -0.0068 -0.0013 0.0189 101 CYS 6 CA -0.0047 -0.0008 0.0163 102 CYS 6 C -0.0013 -0.0005 0.0190 103 CYS 6 O 0.0018 0.0001 0.0170 104 CYS 6 CB -0.0084 -0.0013 0.0144 105 CYS 6 SG -0.0118 -0.0014 0.0100 106 CYS 6 H -0.0099 -0.0019 0.0200 107 CYS 6 HA -0.0029 -0.0004 0.0134 108 CYS 6 HB3 -0.0069 -0.0009 0.0130 109 CYS 6 HB2 -0.0106 -0.0018 0.0171 110 GLU 7 N 0.0016 0.0079 0.0266 111 GLU 7 CA 0.0034 0.0051 0.0293 112 GLU 7 C 0.0060 0.0020 0.0267 113 GLU 7 O 0.0079 -0.0006 0.0280 114 GLU 7 CB 0.0027 0.0059 0.0310 115 GLU 7 CG 0.0044 0.0033 0.0339 116 GLU 7 CD 0.0039 0.0039 0.0350 117 GLU 7 OE1 0.0026 0.0058 0.0329 118 GLU 7 OE2 0.0049 0.0022 0.0380 119 GLU 7 H 0.0000 0.0099 0.0264 120 GLU 7 HA 0.0036 0.0046 0.0318 121 GLU 7 HB3 0.0025 0.0064 0.0285 122 GLU 7 HB2 0.0008 0.0082 0.0326 123 GLU 7 HG3 0.0044 0.0030 0.0366 124 GLU 7 HG2 0.0063 0.0009 0.0325 125 LEU 8 N 0.0068 0.0011 0.0186 126 LEU 8 CA 0.0080 -0.0007 0.0170 127 LEU 8 C 0.0076 -0.0001 0.0175 128 LEU 8 O 0.0077 -0.0022 0.0177 129 LEU 8 CB 0.0097 -0.0001 0.0142 130 LEU 8 CG 0.0111 -0.0019 0.0124 131 LEU 8 CD1 0.0111 -0.0053 0.0129 132 LEU 8 CD2 0.0128 -0.0009 0.0096 133 LEU 8 H 0.0071 0.0027 0.0178 134 LEU 8 HA 0.0079 -0.0031 0.0175 135 LEU 8 HB3 0.0098 0.0023 0.0137 136 LEU 8 HB2 0.0100 -0.0004 0.0138 137 LEU 8 HG 0.0108 -0.0014 0.0127 138 LEU 8 HD11 0.0121 -0.0065 0.0116 139 LEU 8 HD12 0.0099 -0.0059 0.0149 140 LEU 8 HD13 0.0113 -0.0058 0.0127 141 LEU 8 HD21 0.0137 -0.0023 0.0083 142 LEU 8 HD22 0.0130 -0.0013 0.0093 143 LEU 8 HD23 0.0127 0.0014 0.0093 144 ALA 9 N 0.0036 -0.0005 0.0132 145 ALA 9 CA 0.0041 0.0007 0.0108 146 ALA 9 C 0.0046 0.0012 0.0101 147 ALA 9 O 0.0062 0.0022 0.0091 148 ALA 9 CB 0.0021 0.0006 0.0092 149 ALA 9 H 0.0021 -0.0013 0.0136 150 ALA 9 HA 0.0056 0.0013 0.0107 151 ALA 9 HB1 0.0025 0.0015 0.0074 152 ALA 9 HB2 0.0019 0.0003 0.0096 153 ALA 9 HB3 0.0005 -0.0001 0.0093 154 ARG 10 N -0.0010 0.0027 0.0192 155 ARG 10 CA 0.0022 0.0020 0.0207 156 ARG 10 C 0.0055 0.0014 0.0226 157 ARG 10 O 0.0089 0.0001 0.0223 158 ARG 10 CB 0.0009 0.0034 0.0236 159 ARG 10 CG -0.0017 0.0038 0.0218 160 ARG 10 CD -0.0023 0.0051 0.0249 161 ARG 10 NE -0.0047 0.0068 0.0277 162 ARG 10 CZ -0.0084 0.0081 0.0273 163 ARG 10 NH1 -0.0104 0.0078 0.0242 164 ARG 10 NH2 -0.0103 0.0096 0.0300 165 ARG 10 H -0.0035 0.0040 0.0203 166 ARG 10 HA 0.0032 0.0009 0.0183 167 ARG 10 HB3 0.0034 0.0030 0.0252 168 ARG 10 HB2 -0.0005 0.0046 0.0257 169 ARG 10 HG3 -0.0044 0.0044 0.0206 170 ARG 10 HG2 -0.0003 0.0026 0.0195 171 ARG 10 HD3 -0.0037 0.0051 0.0235 172 ARG 10 HD2 0.0004 0.0045 0.0264 173 ARG 10 HE -0.0032 0.0071 0.0302 174 ARG 10 HH12 -0.0133 0.0088 0.0239 175 ARG 10 HH11 -0.0091 0.0067 0.0221 176 ARG 10 HH22 -0.0131 0.0105 0.0296 177 ARG 10 HH21 -0.0088 0.0098 0.0324 178 THR 11 N 0.0010 0.0007 0.0229 179 THR 11 CA 0.0011 -0.0017 0.0223 180 THR 11 C 0.0016 -0.0018 0.0218 181 THR 11 O 0.0008 -0.0032 0.0222 182 THR 11 CB 0.0024 -0.0029 0.0209 183 THR 11 OG1 0.0017 -0.0029 0.0215 184 THR 11 CG2 0.0025 -0.0054 0.0202 185 THR 11 H 0.0019 0.0014 0.0223 186 THR 11 HA -0.0003 -0.0027 0.0233 187 THR 11 HB 0.0037 -0.0018 0.0199 188 THR 11 HG1 0.0020 -0.0013 0.0215 189 THR 11 HG21 0.0035 -0.0061 0.0192 190 THR 11 HG22 0.0030 -0.0054 0.0197 191 THR 11 HG23 0.0012 -0.0065 0.0211 192 LEU 12 N 0.0022 0.0010 0.0140 193 LEU 12 CA 0.0031 0.0012 0.0133 194 LEU 12 C 0.0019 0.0020 0.0141 195 LEU 12 O 0.0021 0.0013 0.0140 196 LEU 12 CB 0.0045 0.0026 0.0122 197 LEU 12 CG 0.0059 0.0018 0.0112 198 LEU 12 CD1 0.0072 0.0034 0.0102 199 LEU 12 CD2 0.0066 -0.0001 0.0108 200 LEU 12 H 0.0025 0.0018 0.0137 201 LEU 12 HA 0.0035 -0.0002 0.0130 202 LEU 12 HB3 0.0050 0.0030 0.0119 203 LEU 12 HB2 0.0041 0.0041 0.0125 204 LEU 12 HG 0.0054 0.0016 0.0116 205 LEU 12 HD11 0.0081 0.0029 0.0095 206 LEU 12 HD12 0.0066 0.0048 0.0105 207 LEU 12 HD13 0.0076 0.0038 0.0098 208 LEU 12 HD21 0.0075 -0.0007 0.0101 209 LEU 12 HD22 0.0070 0.0001 0.0104 210 LEU 12 HD23 0.0056 -0.0012 0.0115 211 LYS 13 N 0.0036 0.0039 0.0147 212 LYS 13 CA 0.0036 0.0063 0.0100 213 LYS 13 C 0.0057 0.0065 0.0111 214 LYS 13 O 0.0091 0.0089 0.0086 215 LYS 13 CB -0.0019 0.0060 0.0070 216 LYS 13 CG -0.0022 0.0086 0.0019 217 LYS 13 CD -0.0064 0.0091 -0.0020 218 LYS 13 CE -0.0057 0.0121 -0.0073 219 LYS 13 NZ -0.0091 0.0129 -0.0112 220 LYS 13 H 0.0001 0.0022 0.0158 221 LYS 13 HA 0.0063 0.0084 0.0078 222 LYS 13 HB3 -0.0047 0.0039 0.0092 223 LYS 13 HB2 -0.0034 0.0058 0.0064 224 LYS 13 HG3 0.0018 0.0105 0.0006 225 LYS 13 HG2 -0.0030 0.0080 0.0024 226 LYS 13 HD3 -0.0104 0.0073 -0.0012 227 LYS 13 HD2 -0.0060 0.0093 -0.0021 228 LYS 13 HE3 -0.0015 0.0138 -0.0079 229 LYS 13 HE2 -0.0070 0.0118 -0.0076 230 LYS 13 HZ1 -0.0125 0.0111 -0.0098 231 LYS 13 HZ2 -0.0103 0.0141 -0.0144 232 LYS 13 HZ3 -0.0070 0.0141 -0.0122 233 ARG 14 N 0.0010 0.0021 0.0234 234 ARG 14 CA 0.0004 -0.0011 0.0258 235 ARG 14 C 0.0037 -0.0041 0.0249 236 ARG 14 O 0.0036 -0.0060 0.0261 237 ARG 14 CB -0.0013 -0.0031 0.0283 238 ARG 14 CG -0.0052 -0.0011 0.0303 239 ARG 14 CD -0.0069 -0.0039 0.0333 240 ARG 14 NE -0.0055 -0.0054 0.0330 241 ARG 14 CZ -0.0066 -0.0037 0.0329 242 ARG 14 NH1 -0.0092 -0.0005 0.0331 243 ARG 14 NH2 -0.0049 -0.0053 0.0324 244 ARG 14 H 0.0004 0.0025 0.0236 245 ARG 14 HA -0.0014 -0.0001 0.0266 246 ARG 14 HB3 -0.0008 -0.0061 0.0297 247 ARG 14 HB2 -0.0001 -0.0031 0.0274 248 ARG 14 HG3 -0.0057 0.0013 0.0292 249 ARG 14 HG2 -0.0062 -0.0002 0.0305 250 ARG 14 HD3 -0.0097 -0.0025 0.0347 251 ARG 14 HD2 -0.0066 -0.0063 0.0344 252 ARG 14 HE -0.0036 -0.0080 0.0330 253 ARG 14 HH12 -0.0100 0.0008 0.0330 254 ARG 14 HH11 -0.0104 0.0006 0.0334 255 ARG 14 HH22 -0.0056 -0.0040 0.0323 256 ARG 14 HH21 -0.0028 -0.0077 0.0322 257 LEU 15 N -0.0109 -0.0005 0.0196 258 LEU 15 CA -0.0104 -0.0020 0.0186 259 LEU 15 C -0.0101 -0.0008 0.0190 260 LEU 15 O -0.0096 -0.0018 0.0183 261 LEU 15 CB -0.0083 -0.0032 0.0170 262 LEU 15 CG -0.0088 -0.0051 0.0164 263 LEU 15 CD1 -0.0066 -0.0058 0.0148 264 LEU 15 CD2 -0.0104 -0.0074 0.0164 265 LEU 15 H -0.0096 0.0003 0.0192 266 LEU 15 HA -0.0118 -0.0035 0.0189 267 LEU 15 HB3 -0.0077 -0.0039 0.0163 268 LEU 15 HB2 -0.0070 -0.0017 0.0168 269 LEU 15 HG -0.0096 -0.0044 0.0172 270 LEU 15 HD11 -0.0070 -0.0072 0.0145 271 LEU 15 HD12 -0.0055 -0.0042 0.0148 272 LEU 15 HD13 -0.0057 -0.0065 0.0141 273 LEU 15 HD21 -0.0106 -0.0087 0.0160 274 LEU 15 HD22 -0.0097 -0.0081 0.0157 275 LEU 15 HD23 -0.0120 -0.0069 0.0176 276 GLY 16 N -0.0037 0.0055 0.0125 277 GLY 16 CA -0.0030 0.0065 0.0117 278 GLY 16 C -0.0016 0.0076 0.0104 279 GLY 16 O -0.0006 0.0080 0.0096 280 GLY 16 H -0.0049 0.0062 0.0129 281 GLY 16 HA3 -0.0026 0.0055 0.0118 282 GLY 16 HA2 -0.0041 0.0075 0.0119 283 MET 17 N -0.0009 0.0076 0.0077 284 MET 17 CA -0.0004 0.0082 0.0065 285 MET 17 C -0.0007 0.0093 0.0059 286 MET 17 O -0.0001 0.0097 0.0049 287 MET 17 CB -0.0004 0.0083 0.0065 288 MET 17 CG 0.0001 0.0071 0.0070 289 MET 17 SD 0.0014 0.0065 0.0060 290 MET 17 CE 0.0017 0.0067 0.0055 291 MET 17 H -0.0015 0.0077 0.0083 292 MET 17 HA 0.0004 0.0076 0.0061 293 MET 17 HB3 -0.0001 0.0088 0.0057 294 MET 17 HB2 -0.0012 0.0087 0.0070 295 MET 17 HG3 -0.0001 0.0072 0.0071 296 MET 17 HG2 -0.0001 0.0066 0.0077 297 MET 17 HE1 0.0025 0.0064 0.0048 298 MET 17 HE2 0.0015 0.0063 0.0061 299 MET 17 HE3 0.0013 0.0076 0.0051 300 ASP 18 N 0.0014 0.0127 0.0017 301 ASP 18 CA 0.0007 0.0138 0.0004 302 ASP 18 C 0.0018 0.0158 -0.0005 303 ASP 18 O 0.0015 0.0166 -0.0014 304 ASP 18 CB -0.0015 0.0133 -0.0006 305 ASP 18 CG -0.0023 0.0140 -0.0017 306 ASP 18 OD1 -0.0013 0.0144 -0.0014 307 ASP 18 OD2 -0.0039 0.0142 -0.0029 308 ASP 18 H 0.0005 0.0121 0.0017 309 ASP 18 HA 0.0011 0.0134 0.0010 310 ASP 18 HB3 -0.0020 0.0138 -0.0013 311 ASP 18 HB2 -0.0022 0.0118 0.0001 312 GLY 19 N -0.0025 0.0163 -0.0003 313 GLY 19 CA -0.0038 0.0195 0.0019 314 GLY 19 C -0.0051 0.0192 0.0014 315 GLY 19 O -0.0066 0.0218 0.0031 316 GLY 19 H 0.0006 0.0155 -0.0002 317 GLY 19 HA3 -0.0064 0.0210 0.0024 318 GLY 19 HA2 -0.0013 0.0211 0.0038 319 TYR 20 N -0.0037 0.0162 0.0044 320 TYR 20 CA -0.0039 0.0151 0.0039 321 TYR 20 C -0.0033 0.0153 0.0032 322 TYR 20 O -0.0026 0.0158 0.0025 323 TYR 20 CB -0.0037 0.0145 0.0032 324 TYR 20 CG -0.0040 0.0133 0.0029 325 TYR 20 CD1 -0.0047 0.0125 0.0034 326 TYR 20 CD2 -0.0035 0.0129 0.0019 327 TYR 20 CE1 -0.0050 0.0114 0.0031 328 TYR 20 CE2 -0.0037 0.0118 0.0016 329 TYR 20 CZ -0.0045 0.0111 0.0022 330 TYR 20 OH -0.0047 0.0100 0.0018 331 TYR 20 H -0.0035 0.0165 0.0042 332 TYR 20 HA -0.0045 0.0147 0.0044 333 TYR 20 HB3 -0.0031 0.0148 0.0026 334 TYR 20 HB2 -0.0041 0.0145 0.0037 335 TYR 20 HD1 -0.0052 0.0127 0.0042 336 TYR 20 HD2 -0.0029 0.0135 0.0014 337 TYR 20 HE1 -0.0056 0.0108 0.0036 338 TYR 20 HE2 -0.0033 0.0116 0.0009 339 TYR 20 HH -0.0052 0.0096 0.0023 340 ARG 21 N -0.0015 0.0139 0.0060 341 ARG 21 CA -0.0027 0.0122 0.0029 342 ARG 21 C -0.0030 0.0143 0.0019 343 ARG 21 O -0.0041 0.0146 -0.0013 344 ARG 21 CB -0.0039 0.0118 -0.0004 345 ARG 21 CG -0.0038 0.0088 0.0002 346 ARG 21 CD -0.0046 0.0049 -0.0017 347 ARG 21 NE -0.0060 0.0057 -0.0057 348 ARG 21 CZ -0.0069 0.0037 -0.0080 349 ARG 21 NH1 -0.0067 0.0003 -0.0069 350 ARG 21 NH2 -0.0080 0.0053 -0.0112 351 ARG 21 H -0.0008 0.0121 0.0081 352 ARG 21 HA -0.0025 0.0092 0.0037 353 ARG 21 HB3 -0.0048 0.0111 -0.0029 354 ARG 21 HB2 -0.0040 0.0147 -0.0010 355 ARG 21 HG3 -0.0041 0.0098 -0.0009 356 ARG 21 HG2 -0.0027 0.0082 0.0032 357 ARG 21 HD3 -0.0044 0.0027 -0.0010 358 ARG 21 HD2 -0.0043 0.0040 -0.0007 359 ARG 21 HE -0.0063 0.0077 -0.0068 360 ARG 21 HH12 -0.0073 -0.0012 -0.0086 361 ARG 21 HH11 -0.0058 -0.0009 -0.0044 362 ARG 21 HH22 -0.0087 0.0038 -0.0130 363 ARG 21 HH21 -0.0082 0.0079 -0.0120 364 GLY 22 N -0.0046 0.0283 0.0060 365 GLY 22 CA -0.0033 0.0318 0.0066 366 GLY 22 C -0.0010 0.0284 0.0067 367 GLY 22 O 0.0006 0.0314 0.0073 368 GLY 22 H -0.0090 0.0272 0.0051 369 GLY 22 HA3 -0.0001 0.0354 0.0075 370 GLY 22 HA2 -0.0073 0.0346 0.0061 371 ILE 23 N 0.0022 0.0163 0.0008 372 ILE 23 CA 0.0044 0.0158 -0.0002 373 ILE 23 C 0.0047 0.0155 -0.0007 374 ILE 23 O 0.0035 0.0148 -0.0019 375 ILE 23 CB 0.0045 0.0147 -0.0021 376 ILE 23 CG1 0.0041 0.0149 -0.0016 377 ILE 23 CG2 0.0068 0.0142 -0.0031 378 ILE 23 CD1 0.0036 0.0138 -0.0035 379 ILE 23 H 0.0008 0.0157 -0.0002 380 ILE 23 HA 0.0057 0.0164 0.0008 381 ILE 23 HB 0.0033 0.0141 -0.0031 382 ILE 23 HG13 0.0026 0.0155 -0.0006 383 ILE 23 HG12 0.0055 0.0154 -0.0009 384 ILE 23 HG21 0.0069 0.0134 -0.0044 385 ILE 23 HG22 0.0071 0.0140 -0.0034 386 ILE 23 HG23 0.0082 0.0148 -0.0020 387 ILE 23 HD11 0.0033 0.0141 -0.0032 388 ILE 23 HD12 0.0021 0.0134 -0.0043 389 ILE 23 HD13 0.0051 0.0133 -0.0045 390 SER 24 N 0.0063 0.0143 -0.0019 391 SER 24 CA 0.0054 0.0126 -0.0036 392 SER 24 C 0.0054 0.0105 -0.0034 393 SER 24 O 0.0063 0.0099 -0.0016 394 SER 24 CB 0.0054 0.0115 -0.0034 395 SER 24 OG 0.0063 0.0101 -0.0016 396 SER 24 H 0.0068 0.0144 -0.0007 397 SER 24 HA 0.0046 0.0135 -0.0051 398 SER 24 HB3 0.0054 0.0129 -0.0034 399 SER 24 HB2 0.0047 0.0104 -0.0048 400 SER 24 HG 0.0062 0.0091 -0.0017 401 LEU 25 N 0.0084 0.0096 -0.0032 402 LEU 25 CA 0.0075 0.0081 -0.0014 403 LEU 25 C 0.0068 0.0077 -0.0009 404 LEU 25 O 0.0073 0.0066 0.0008 405 LEU 25 CB 0.0055 0.0078 -0.0015 406 LEU 25 CG 0.0045 0.0063 0.0003 407 LEU 25 CD1 0.0062 0.0055 0.0020 408 LEU 25 CD2 0.0024 0.0061 -0.0000 409 LEU 25 H 0.0077 0.0102 -0.0043 410 LEU 25 HA 0.0088 0.0076 -0.0003 411 LEU 25 HB3 0.0041 0.0082 -0.0026 412 LEU 25 HB2 0.0060 0.0083 -0.0021 413 LEU 25 HG 0.0038 0.0058 0.0008 414 LEU 25 HD11 0.0054 0.0044 0.0033 415 LEU 25 HD12 0.0076 0.0056 0.0023 416 LEU 25 HD13 0.0070 0.0060 0.0015 417 LEU 25 HD21 0.0017 0.0050 0.0013 418 LEU 25 HD22 0.0030 0.0066 -0.0006 419 LEU 25 HD23 0.0011 0.0065 -0.0011 420 ALA 26 N 0.0063 0.0011 -0.0049 421 ALA 26 CA 0.0064 -0.0003 -0.0039 422 ALA 26 C 0.0074 0.0001 -0.0022 423 ALA 26 O 0.0076 -0.0011 -0.0012 424 ALA 26 CB 0.0062 -0.0005 -0.0044 425 ALA 26 H 0.0061 0.0018 -0.0057 426 ALA 26 HA 0.0061 -0.0015 -0.0040 427 ALA 26 HB1 0.0063 -0.0015 -0.0036 428 ALA 26 HB2 0.0055 -0.0008 -0.0056 429 ALA 26 HB3 0.0065 0.0007 -0.0043 430 ASN 27 N 0.0113 0.0041 -0.0059 431 ASN 27 CA 0.0113 0.0042 -0.0057 432 ASN 27 C 0.0114 0.0044 -0.0052 433 ASN 27 O 0.0112 0.0044 -0.0049 434 ASN 27 CB 0.0116 0.0042 -0.0059 435 ASN 27 CG 0.0113 0.0039 -0.0062 436 ASN 27 OD1 0.0110 0.0039 -0.0061 437 ASN 27 ND2 0.0115 0.0038 -0.0066 438 ASN 27 H 0.0115 0.0041 -0.0061 439 ASN 27 HA 0.0110 0.0041 -0.0056 440 ASN 27 HB3 0.0117 0.0043 -0.0057 441 ASN 27 HB2 0.0119 0.0042 -0.0061 442 ASN 27 HD22 0.0114 0.0037 -0.0069 443 ASN 27 HD21 0.0118 0.0039 -0.0067 444 TRP 28 N 0.0100 0.0070 0.0007 445 TRP 28 CA 0.0095 0.0071 -0.0010 446 TRP 28 C 0.0111 0.0058 -0.0021 447 TRP 28 O 0.0112 0.0057 -0.0027 448 TRP 28 CB 0.0082 0.0078 -0.0026 449 TRP 28 CG 0.0065 0.0092 -0.0020 450 TRP 28 CD1 0.0057 0.0098 -0.0017 451 TRP 28 CD2 0.0052 0.0101 -0.0017 452 TRP 28 NE1 0.0040 0.0110 -0.0013 453 TRP 28 CE2 0.0036 0.0113 -0.0012 454 TRP 28 CE3 0.0052 0.0101 -0.0017 455 TRP 28 CZ2 0.0022 0.0124 -0.0008 456 TRP 28 CZ3 0.0037 0.0112 -0.0014 457 TRP 28 CH2 0.0022 0.0123 -0.0009 458 TRP 28 H 0.0095 0.0073 0.0006 459 TRP 28 HA 0.0089 0.0076 -0.0004 460 TRP 28 HB3 0.0082 0.0077 -0.0041 461 TRP 28 HB2 0.0088 0.0074 -0.0031 462 TRP 28 HD1 0.0064 0.0092 -0.0019 463 TRP 28 HE1 0.0032 0.0116 -0.0010 464 TRP 28 HE3 0.0064 0.0092 -0.0021 465 TRP 28 HZ2 0.0010 0.0132 -0.0004 466 TRP 28 HZ3 0.0037 0.0112 -0.0014 467 TRP 28 HH2 0.0011 0.0132 -0.0007 468 MET 29 N 0.0131 -0.0006 -0.0005 469 MET 29 CA 0.0116 -0.0004 0.0004 470 MET 29 C 0.0121 0.0001 -0.0006 471 MET 29 O 0.0120 -0.0005 0.0002 472 MET 29 CB 0.0096 0.0006 0.0005 473 MET 29 CG 0.0088 0.0001 0.0019 474 MET 29 SD 0.0084 -0.0014 0.0042 475 MET 29 CE 0.0064 -0.0005 0.0044 476 MET 29 H 0.0126 0.0001 -0.0010 477 MET 29 HA 0.0117 -0.0015 0.0018 478 MET 29 HB3 0.0086 0.0010 0.0009 479 MET 29 HB2 0.0095 0.0017 -0.0008 480 MET 29 HG3 0.0074 0.0010 0.0017 481 MET 29 HG2 0.0098 -0.0003 0.0016 482 MET 29 HE1 0.0060 -0.0013 0.0057 483 MET 29 HE2 0.0052 0.0004 0.0041 484 MET 29 HE3 0.0070 -0.0001 0.0034 485 CYS 30 N 0.0124 -0.0036 -0.0063 486 CYS 30 CA 0.0112 -0.0036 -0.0066 487 CYS 30 C 0.0107 -0.0031 -0.0065 488 CYS 30 O 0.0099 -0.0025 -0.0063 489 CYS 30 CB 0.0109 -0.0047 -0.0072 490 CYS 30 SG 0.0095 -0.0048 -0.0075 491 CYS 30 H 0.0129 -0.0042 -0.0065 492 CYS 30 HA 0.0109 -0.0032 -0.0065 493 CYS 30 HB3 0.0113 -0.0051 -0.0073 494 CYS 30 HB2 0.0114 -0.0051 -0.0072 495 LEU 31 N 0.0108 0.0032 -0.0070 496 LEU 31 CA 0.0096 0.0047 -0.0067 497 LEU 31 C 0.0100 0.0050 -0.0081 498 LEU 31 O 0.0097 0.0051 -0.0076 499 LEU 31 CB 0.0085 0.0064 -0.0069 500 LEU 31 CG 0.0072 0.0081 -0.0067 501 LEU 31 CD1 0.0064 0.0079 -0.0046 502 LEU 31 CD2 0.0063 0.0098 -0.0075 503 LEU 31 H 0.0108 0.0034 -0.0074 504 LEU 31 HA 0.0092 0.0043 -0.0051 505 LEU 31 HB3 0.0090 0.0067 -0.0084 506 LEU 31 HB2 0.0082 0.0061 -0.0058 507 LEU 31 HG 0.0075 0.0082 -0.0077 508 LEU 31 HD11 0.0055 0.0091 -0.0045 509 LEU 31 HD12 0.0070 0.0067 -0.0042 510 LEU 31 HD13 0.0061 0.0077 -0.0035 511 LEU 31 HD21 0.0054 0.0110 -0.0073 512 LEU 31 HD22 0.0060 0.0097 -0.0066 513 LEU 31 HD23 0.0070 0.0099 -0.0091 514 ALA 32 N 0.0136 0.0003 -0.0032 515 ALA 32 CA 0.0135 -0.0003 -0.0032 516 ALA 32 C 0.0140 0.0006 -0.0036 517 ALA 32 O 0.0143 0.0001 -0.0042 518 ALA 32 CB 0.0127 -0.0006 -0.0021 519 ALA 32 H 0.0132 0.0005 -0.0025 520 ALA 32 HA 0.0138 -0.0012 -0.0037 521 ALA 32 HB1 0.0126 -0.0011 -0.0021 522 ALA 32 HB2 0.0124 -0.0013 -0.0018 523 ALA 32 HB3 0.0124 0.0002 -0.0016 524 LYS 33 N 0.0144 -0.0031 -0.0071 525 LYS 33 CA 0.0145 -0.0038 -0.0069 526 LYS 33 C 0.0135 -0.0036 -0.0060 527 LYS 33 O 0.0133 -0.0034 -0.0059 528 LYS 33 CB 0.0150 -0.0052 -0.0068 529 LYS 33 CG 0.0153 -0.0059 -0.0068 530 LYS 33 CD 0.0147 -0.0066 -0.0059 531 LYS 33 CE 0.0149 -0.0070 -0.0060 532 LYS 33 NZ 0.0159 -0.0072 -0.0069 533 LYS 33 H 0.0147 -0.0035 -0.0071 534 LYS 33 HA 0.0150 -0.0034 -0.0074 535 LYS 33 HB3 0.0145 -0.0057 -0.0061 536 LYS 33 HB2 0.0157 -0.0053 -0.0074 537 LYS 33 HG3 0.0161 -0.0065 -0.0073 538 LYS 33 HG2 0.0154 -0.0052 -0.0072 539 LYS 33 HD3 0.0139 -0.0060 -0.0055 540 LYS 33 HD2 0.0147 -0.0074 -0.0056 541 LYS 33 HE3 0.0144 -0.0063 -0.0058 542 LYS 33 HE2 0.0146 -0.0079 -0.0054 543 LYS 33 HZ1 0.0161 -0.0064 -0.0073 544 LYS 33 HZ2 0.0163 -0.0077 -0.0071 545 LYS 33 HZ3 0.0161 -0.0078 -0.0068 546 TRP 34 N 0.0112 -0.0029 -0.0107 547 TRP 34 CA 0.0089 -0.0029 -0.0079 548 TRP 34 C 0.0082 0.0004 -0.0063 549 TRP 34 O 0.0063 0.0006 -0.0040 550 TRP 34 CB 0.0079 -0.0051 -0.0072 551 TRP 34 CG 0.0081 -0.0087 -0.0083 552 TRP 34 CD1 0.0095 -0.0104 -0.0104 553 TRP 34 CD2 0.0070 -0.0109 -0.0075 554 TRP 34 NE1 0.0094 -0.0135 -0.0110 555 TRP 34 CE2 0.0078 -0.0139 -0.0092 556 TRP 34 CE3 0.0054 -0.0106 -0.0055 557 TRP 34 CZ2 0.0071 -0.0166 -0.0089 558 TRP 34 CZ3 0.0047 -0.0134 -0.0053 559 TRP 34 CH2 0.0055 -0.0163 -0.0069 560 TRP 34 H 0.0121 -0.0031 -0.0118 561 TRP 34 HA 0.0082 -0.0043 -0.0074 562 TRP 34 HB3 0.0061 -0.0050 -0.0051 563 TRP 34 HB2 0.0087 -0.0042 -0.0080 564 TRP 34 HD1 0.0106 -0.0092 -0.0114 565 TRP 34 HE1 0.0103 -0.0151 -0.0125 566 TRP 34 HE3 0.0048 -0.0083 -0.0042 567 TRP 34 HZ2 0.0078 -0.0189 -0.0103 568 TRP 34 HZ3 0.0035 -0.0133 -0.0037 569 TRP 34 HH2 0.0049 -0.0183 -0.0067 570 GLU 35 N 0.0097 -0.0010 -0.0050 571 GLU 35 CA 0.0090 0.0002 -0.0050 572 GLU 35 C 0.0094 -0.0012 -0.0068 573 GLU 35 O 0.0097 -0.0013 -0.0060 574 GLU 35 CB 0.0073 0.0026 -0.0060 575 GLU 35 CG 0.0067 0.0043 -0.0040 576 GLU 35 CD 0.0068 0.0050 -0.0015 577 GLU 35 OE1 0.0072 0.0043 -0.0014 578 GLU 35 OE2 0.0064 0.0062 0.0004 579 GLU 35 H 0.0091 -0.0005 -0.0060 580 GLU 35 HA 0.0092 0.0004 -0.0030 581 GLU 35 HB3 0.0068 0.0032 -0.0065 582 GLU 35 HB2 0.0070 0.0024 -0.0078 583 GLU 35 HG3 0.0056 0.0058 -0.0049 584 GLU 35 HG2 0.0072 0.0036 -0.0034 585 SER 36 N 0.0171 -0.0050 -0.0043 586 SER 36 CA 0.0173 -0.0057 -0.0058 587 SER 36 C 0.0184 -0.0056 -0.0059 588 SER 36 O 0.0187 -0.0061 -0.0072 589 SER 36 CB 0.0155 -0.0062 -0.0063 590 SER 36 OG 0.0149 -0.0058 -0.0053 591 SER 36 H 0.0170 -0.0046 -0.0033 592 SER 36 HA 0.0178 -0.0060 -0.0067 593 SER 36 HB3 0.0147 -0.0063 -0.0061 594 SER 36 HB2 0.0156 -0.0067 -0.0075 595 SER 36 HG 0.0141 -0.0056 -0.0045 596 GLY 37 N 0.0187 -0.0022 -0.0071 597 GLY 37 CA 0.0215 -0.0007 -0.0065 598 GLY 37 C 0.0225 -0.0005 -0.0059 599 GLY 37 O 0.0244 0.0011 -0.0064 600 GLY 37 H 0.0180 -0.0035 -0.0060 601 GLY 37 HA3 0.0221 0.0008 -0.0080 602 GLY 37 HA2 0.0225 -0.0013 -0.0049 603 TYR 38 N 0.0171 -0.0021 -0.0011 604 TYR 38 CA 0.0175 -0.0028 0.0008 605 TYR 38 C 0.0176 -0.0030 0.0016 606 TYR 38 O 0.0177 -0.0029 0.0033 607 TYR 38 CB 0.0172 -0.0016 0.0022 608 TYR 38 CG 0.0170 -0.0011 0.0016 609 TYR 38 CD1 0.0173 -0.0023 0.0008 610 TYR 38 CD2 0.0165 0.0007 0.0019 611 TYR 38 CE1 0.0171 -0.0018 0.0003 612 TYR 38 CE2 0.0163 0.0011 0.0015 613 TYR 38 CZ 0.0166 -0.0001 0.0007 614 TYR 38 OH 0.0165 0.0003 0.0002 615 TYR 38 H 0.0173 -0.0030 -0.0020 616 TYR 38 HA 0.0179 -0.0041 0.0008 617 TYR 38 HB3 0.0175 -0.0022 0.0035 618 TYR 38 HB2 0.0169 -0.0004 0.0025 619 TYR 38 HD1 0.0177 -0.0037 0.0006 620 TYR 38 HD2 0.0162 0.0016 0.0026 621 TYR 38 HE1 0.0174 -0.0028 -0.0003 622 TYR 38 HE2 0.0159 0.0024 0.0018 623 TYR 38 HH 0.0167 -0.0007 -0.0005 624 ASN 39 N 0.0221 -0.0096 -0.0087 625 ASN 39 CA 0.0217 -0.0093 -0.0111 626 ASN 39 C 0.0191 -0.0094 -0.0117 627 ASN 39 O 0.0179 -0.0096 -0.0113 628 ASN 39 CB 0.0227 -0.0090 -0.0122 629 ASN 39 CG 0.0225 -0.0086 -0.0148 630 ASN 39 OD1 0.0217 -0.0085 -0.0159 631 ASN 39 ND2 0.0231 -0.0084 -0.0157 632 ASN 39 H 0.0216 -0.0097 -0.0080 633 ASN 39 HA 0.0225 -0.0091 -0.0118 634 ASN 39 HB3 0.0220 -0.0092 -0.0115 635 ASN 39 HB2 0.0246 -0.0088 -0.0118 636 ASN 39 HD22 0.0229 -0.0082 -0.0174 637 ASN 39 HD21 0.0237 -0.0085 -0.0147 638 THR 40 N 0.0214 -0.0111 -0.0078 639 THR 40 CA 0.0182 -0.0124 -0.0087 640 THR 40 C 0.0180 -0.0134 -0.0120 641 THR 40 O 0.0155 -0.0144 -0.0125 642 THR 40 CB 0.0160 -0.0132 -0.0086 643 THR 40 OG1 0.0171 -0.0135 -0.0112 644 THR 40 CG2 0.0157 -0.0124 -0.0054 645 THR 40 H 0.0220 -0.0108 -0.0078 646 THR 40 HA 0.0171 -0.0123 -0.0068 647 THR 40 HB 0.0135 -0.0142 -0.0091 648 THR 40 HG1 0.0153 -0.0144 -0.0121 649 THR 40 HG21 0.0141 -0.0130 -0.0055 650 THR 40 HG22 0.0148 -0.0121 -0.0034 651 THR 40 HG23 0.0181 -0.0114 -0.0048 652 ARG 41 N 0.0363 -0.0235 -0.0291 653 ARG 41 CA 0.0203 -0.0025 -0.0162 654 ARG 41 C -0.0063 -0.0121 -0.0083 655 ARG 41 O -0.0214 0.0036 0.0025 656 ARG 41 CB 0.0183 0.0081 -0.0122 657 ARG 41 CG 0.0158 0.0365 -0.0026 658 ARG 41 CD 0.0105 0.0445 0.0019 659 ARG 41 NE -0.0128 0.0568 0.0151 660 ARG 41 CZ -0.0162 0.0800 0.0235 661 ARG 41 NH1 0.0026 0.0993 0.0217 662 ARG 41 NH2 -0.0387 0.0848 0.0341 663 ARG 41 H 0.0367 -0.0329 -0.0320 664 ARG 41 HA 0.0285 0.0128 -0.0149 665 ARG 41 HB3 0.0024 -0.0028 -0.0091 666 ARG 41 HB2 0.0347 0.0037 -0.0202 667 ARG 41 HG3 0.0330 0.0475 -0.0063 668 ARG 41 HG2 0.0005 0.0412 0.0050 669 ARG 41 HD3 0.0091 0.0274 -0.0026 670 ARG 41 HD2 0.0261 0.0581 -0.0003 671 ARG 41 HE -0.0271 0.0459 0.0176 672 ARG 41 HH12 -0.0004 0.1170 0.0282 673 ARG 41 HH11 0.0197 0.0963 0.0138 674 ARG 41 HH22 -0.0411 0.1027 0.0405 675 ARG 41 HH21 -0.0533 0.0707 0.0357 676 ALA 42 N 0.0109 -0.0044 -0.0129 677 ALA 42 CA 0.0095 -0.0052 -0.0115 678 ALA 42 C 0.0067 -0.0044 -0.0112 679 ALA 42 O 0.0057 -0.0043 -0.0110 680 ALA 42 CB 0.0102 -0.0073 -0.0095 681 ALA 42 H 0.0120 -0.0053 -0.0124 682 ALA 42 HA 0.0100 -0.0049 -0.0121 683 ALA 42 HB1 0.0091 -0.0079 -0.0085 684 ALA 42 HB2 0.0122 -0.0079 -0.0097 685 ALA 42 HB3 0.0098 -0.0077 -0.0089 686 THR 43 N 0.0020 0.0018 -0.0087 687 THR 43 CA -0.0006 0.0018 -0.0088 688 THR 43 C -0.0018 0.0012 -0.0083 689 THR 43 O -0.0010 0.0017 -0.0087 690 THR 43 CB -0.0015 0.0037 -0.0104 691 THR 43 OG1 -0.0009 0.0049 -0.0114 692 THR 43 CG2 -0.0004 0.0044 -0.0109 693 THR 43 H 0.0027 0.0023 -0.0092 694 THR 43 HA -0.0010 0.0008 -0.0080 695 THR 43 HB -0.0035 0.0036 -0.0103 696 THR 43 HG1 -0.0017 0.0045 -0.0110 697 THR 43 HG21 -0.0012 0.0058 -0.0120 698 THR 43 HG22 -0.0009 0.0034 -0.0101 699 THR 43 HG23 0.0015 0.0045 -0.0110 700 ASN 44 N 0.0006 0.0033 -0.0032 701 ASN 44 CA 0.0009 0.0029 -0.0014 702 ASN 44 C -0.0002 0.0041 -0.0006 703 ASN 44 O -0.0012 0.0051 -0.0003 704 ASN 44 CB 0.0013 0.0024 -0.0001 705 ASN 44 CG 0.0016 0.0020 0.0017 706 ASN 44 OD1 0.0023 0.0012 0.0019 707 ASN 44 ND2 0.0010 0.0026 0.0031 708 ASN 44 H -0.0003 0.0043 -0.0033 709 ASN 44 HA 0.0017 0.0020 -0.0017 710 ASN 44 HB3 0.0006 0.0032 -0.0001 711 ASN 44 HB2 0.0021 0.0016 -0.0007 712 ASN 44 HD22 0.0012 0.0024 0.0044 713 ASN 44 HD21 0.0004 0.0033 0.0029 714 TYR 45 N -0.0068 0.0117 0.0027 715 TYR 45 CA -0.0059 0.0115 0.0027 716 TYR 45 C -0.0039 0.0132 0.0036 717 TYR 45 O -0.0022 0.0133 0.0038 718 TYR 45 CB -0.0049 0.0091 0.0017 719 TYR 45 CG -0.0039 0.0087 0.0016 720 TYR 45 CD1 -0.0054 0.0090 0.0016 721 TYR 45 CD2 -0.0014 0.0081 0.0015 722 TYR 45 CE1 -0.0044 0.0087 0.0015 723 TYR 45 CE2 -0.0005 0.0078 0.0015 724 TYR 45 CZ -0.0019 0.0080 0.0015 725 TYR 45 OH -0.0010 0.0077 0.0014 726 TYR 45 H -0.0060 0.0107 0.0023 727 TYR 45 HA -0.0074 0.0119 0.0027 728 TYR 45 HB3 -0.0035 0.0087 0.0016 729 TYR 45 HB2 -0.0064 0.0079 0.0010 730 TYR 45 HD1 -0.0073 0.0094 0.0016 731 TYR 45 HD2 -0.0002 0.0079 0.0015 732 TYR 45 HE1 -0.0056 0.0089 0.0016 733 TYR 45 HE2 0.0015 0.0073 0.0014 734 TYR 45 HH -0.0021 0.0084 0.0016 735 ASN 46 N -0.0013 0.0138 0.0036 736 ASN 46 CA -0.0010 0.0141 0.0046 737 ASN 46 C -0.0013 0.0139 0.0039 738 ASN 46 O -0.0025 0.0139 0.0038 739 ASN 46 CB -0.0020 0.0144 0.0058 740 ASN 46 CG -0.0017 0.0146 0.0065 741 ASN 46 OD1 -0.0006 0.0147 0.0071 742 ASN 46 ND2 -0.0028 0.0146 0.0064 743 ASN 46 H -0.0023 0.0138 0.0034 744 ASN 46 HA 0.0001 0.0141 0.0050 745 ASN 46 HB3 -0.0018 0.0146 0.0066 746 ASN 46 HB2 -0.0031 0.0143 0.0055 747 ASN 46 HD22 -0.0027 0.0147 0.0069 748 ASN 46 HD21 -0.0037 0.0145 0.0059 749 ALA 47 N 0.0104 0.0211 0.0025 750 ALA 47 CA 0.0153 0.0162 -0.0027 751 ALA 47 C 0.0166 0.0189 -0.0012 752 ALA 47 O 0.0169 0.0142 -0.0047 753 ALA 47 CB 0.0244 0.0163 -0.0058 754 ALA 47 H 0.0136 0.0238 0.0033 755 ALA 47 HA 0.0114 0.0103 -0.0056 756 ALA 47 HB1 0.0282 0.0126 -0.0097 757 ALA 47 HB2 0.0234 0.0141 -0.0069 758 ALA 47 HB3 0.0283 0.0222 -0.0028 759 GLY 48 N 0.0236 0.0254 -0.0019 760 GLY 48 CA 0.0282 0.0311 -0.0004 761 GLY 48 C 0.0181 0.0271 0.0005 762 GLY 48 O 0.0229 0.0243 -0.0023 763 GLY 48 H 0.0215 0.0315 0.0018 764 GLY 48 HA3 0.0298 0.0420 0.0046 765 GLY 48 HA2 0.0388 0.0285 -0.0047 766 ASP 49 N 0.0006 0.0164 0.0042 767 ASP 49 CA -0.0017 0.0155 0.0045 768 ASP 49 C -0.0033 0.0139 0.0036 769 ASP 49 O -0.0054 0.0130 0.0038 770 ASP 49 CB -0.0028 0.0167 0.0069 771 ASP 49 CG -0.0037 0.0172 0.0081 772 ASP 49 OD1 -0.0034 0.0167 0.0073 773 ASP 49 OD2 -0.0050 0.0180 0.0100 774 ASP 49 H 0.0008 0.0169 0.0047 775 ASP 49 HA -0.0015 0.0150 0.0038 776 ASP 49 HB3 -0.0015 0.0179 0.0075 777 ASP 49 HB2 -0.0042 0.0162 0.0071 778 ARG 50 N -0.0026 0.0194 0.0004 779 ARG 50 CA -0.0061 0.0129 0.0009 780 ARG 50 C -0.0135 0.0134 0.0025 781 ARG 50 O -0.0170 0.0082 0.0031 782 ARG 50 CB -0.0027 0.0080 -0.0001 783 ARG 50 CG 0.0040 0.0052 -0.0016 784 ARG 50 CD 0.0076 0.0007 -0.0026 785 ARG 50 NE 0.0139 0.0040 -0.0039 786 ARG 50 CZ 0.0189 0.0011 -0.0051 787 ARG 50 NH1 0.0203 -0.0055 -0.0057 788 ARG 50 NH2 0.0225 0.0049 -0.0057 789 ARG 50 H -0.0008 0.0209 0.0001 790 ARG 50 HA -0.0055 0.0107 0.0007 791 ARG 50 HB3 -0.0060 0.0036 0.0005 792 ARG 50 HB2 -0.0017 0.0106 -0.0002 793 ARG 50 HG3 0.0073 0.0095 -0.0022 794 ARG 50 HG2 0.0030 0.0022 -0.0015 795 ARG 50 HD3 0.0085 -0.0043 -0.0031 796 ARG 50 HD2 0.0044 0.0001 -0.0020 797 ARG 50 HE 0.0144 0.0089 -0.0037 798 ARG 50 HH12 0.0241 -0.0078 -0.0066 799 ARG 50 HH11 0.0176 -0.0082 -0.0052 800 ARG 50 HH22 0.0263 0.0027 -0.0066 801 ARG 50 HH21 0.0215 0.0099 -0.0052 802 SER 51 N -0.0089 0.0108 0.0049 803 SER 51 CA -0.0095 0.0107 0.0057 804 SER 51 C -0.0087 0.0113 0.0058 805 SER 51 O -0.0077 0.0117 0.0055 806 SER 51 CB -0.0098 0.0110 0.0069 807 SER 51 OG -0.0090 0.0117 0.0075 808 SER 51 H -0.0084 0.0112 0.0052 809 SER 51 HA -0.0102 0.0102 0.0054 810 SER 51 HB3 -0.0103 0.0107 0.0068 811 SER 51 HB2 -0.0104 0.0109 0.0075 812 SER 51 HG -0.0086 0.0118 0.0072 813 THR 52 N -0.0070 0.0075 0.0041 814 THR 52 CA -0.0056 0.0066 0.0032 815 THR 52 C -0.0048 0.0058 0.0027 816 THR 52 O -0.0051 0.0066 0.0025 817 THR 52 CB -0.0053 0.0076 0.0017 818 THR 52 OG1 -0.0061 0.0083 0.0021 819 THR 52 CG2 -0.0039 0.0068 0.0006 820 THR 52 H -0.0073 0.0083 0.0037 821 THR 52 HA -0.0055 0.0057 0.0038 822 THR 52 HB -0.0055 0.0086 0.0011 823 THR 52 HG1 -0.0069 0.0084 0.0031 824 THR 52 HG21 -0.0037 0.0077 -0.0004 825 THR 52 HG22 -0.0032 0.0063 0.0003 826 THR 52 HG23 -0.0037 0.0059 0.0012 827 ASP 53 N -0.0003 0.0043 0.0001 828 ASP 53 CA 0.0002 0.0039 -0.0001 829 ASP 53 C 0.0009 0.0037 -0.0018 830 ASP 53 O 0.0016 0.0031 -0.0023 831 ASP 53 CB 0.0010 0.0028 0.0010 832 ASP 53 CG 0.0004 0.0029 0.0027 833 ASP 53 OD1 -0.0006 0.0037 0.0031 834 ASP 53 OD2 0.0009 0.0022 0.0036 835 ASP 53 H 0.0003 0.0036 0.0003 836 ASP 53 HA -0.0005 0.0046 0.0000 837 ASP 53 HB3 0.0013 0.0025 0.0008 838 ASP 53 HB2 0.0017 0.0021 0.0008 839 TYR 54 N 0.0020 -0.0036 0.0005 840 TYR 54 CA 0.0024 -0.0040 -0.0019 841 TYR 54 C 0.0029 -0.0049 -0.0034 842 TYR 54 O 0.0026 -0.0041 -0.0035 843 TYR 54 CB 0.0016 -0.0017 -0.0031 844 TYR 54 CG 0.0011 -0.0008 -0.0021 845 TYR 54 CD1 0.0004 0.0006 -0.0002 846 TYR 54 CD2 0.0013 -0.0011 -0.0032 847 TYR 54 CE1 -0.0001 0.0015 0.0006 848 TYR 54 CE2 0.0009 -0.0003 -0.0023 849 TYR 54 CZ 0.0002 0.0011 -0.0005 850 TYR 54 OH -0.0002 0.0020 0.0003 851 TYR 54 H 0.0016 -0.0026 0.0009 852 TYR 54 HA 0.0028 -0.0051 -0.0019 853 TYR 54 HB3 0.0018 -0.0019 -0.0049 854 TYR 54 HB2 0.0011 -0.0006 -0.0029 855 TYR 54 HD1 0.0002 0.0009 0.0007 856 TYR 54 HD2 0.0019 -0.0020 -0.0048 857 TYR 54 HE1 -0.0006 0.0025 0.0021 858 TYR 54 HE2 0.0011 -0.0007 -0.0031 859 TYR 54 HH -0.0008 0.0031 0.0015 860 GLY 55 N 0.0073 -0.0063 -0.0061 861 GLY 55 CA 0.0082 -0.0064 -0.0056 862 GLY 55 C 0.0092 -0.0067 -0.0042 863 GLY 55 O 0.0095 -0.0068 -0.0037 864 GLY 55 H 0.0077 -0.0060 -0.0070 865 GLY 55 HA3 0.0075 -0.0065 -0.0054 866 GLY 55 HA2 0.0090 -0.0060 -0.0065 867 ILE 56 N 0.0109 -0.0077 -0.0046 868 ILE 56 CA 0.0123 -0.0068 -0.0026 869 ILE 56 C 0.0120 -0.0069 -0.0011 870 ILE 56 O 0.0135 -0.0060 -0.0001 871 ILE 56 CB 0.0123 -0.0067 -0.0010 872 ILE 56 CG1 0.0142 -0.0055 0.0006 873 ILE 56 CG2 0.0102 -0.0078 0.0004 874 ILE 56 CD1 0.0146 -0.0052 0.0016 875 ILE 56 H 0.0099 -0.0083 -0.0046 876 ILE 56 HA 0.0139 -0.0060 -0.0034 877 ILE 56 HB 0.0124 -0.0067 -0.0023 878 ILE 56 HG13 0.0156 -0.0048 -0.0005 879 ILE 56 HG12 0.0140 -0.0055 0.0021 880 ILE 56 HG21 0.0103 -0.0076 0.0015 881 ILE 56 HG22 0.0089 -0.0086 -0.0008 882 ILE 56 HG23 0.0100 -0.0078 0.0016 883 ILE 56 HD11 0.0160 -0.0043 0.0027 884 ILE 56 HD12 0.0148 -0.0052 0.0001 885 ILE 56 HD13 0.0132 -0.0059 0.0027 886 PHE 57 N 0.0066 0.0011 -0.0016 887 PHE 57 CA 0.0066 0.0012 -0.0013 888 PHE 57 C 0.0067 0.0009 -0.0025 889 PHE 57 O 0.0067 0.0009 -0.0024 890 PHE 57 CB 0.0055 0.0005 -0.0003 891 PHE 57 CG 0.0052 0.0008 0.0010 892 PHE 57 CD1 0.0058 0.0018 0.0019 893 PHE 57 CD2 0.0043 0.0001 0.0015 894 PHE 57 CE1 0.0056 0.0021 0.0031 895 PHE 57 CE2 0.0041 0.0003 0.0027 896 PHE 57 CZ 0.0047 0.0014 0.0036 897 PHE 57 H 0.0060 0.0004 -0.0018 898 PHE 57 HA 0.0071 0.0021 -0.0008 899 PHE 57 HB3 0.0055 0.0006 -0.0002 900 PHE 57 HB2 0.0049 -0.0003 -0.0008 901 PHE 57 HD1 0.0065 0.0024 0.0016 902 PHE 57 HD2 0.0039 -0.0007 0.0008 903 PHE 57 HE1 0.0060 0.0029 0.0038 904 PHE 57 HE2 0.0034 -0.0002 0.0030 905 PHE 57 HZ 0.0045 0.0016 0.0045 906 GLN 58 N 0.0056 -0.0015 -0.0027 907 GLN 58 CA 0.0057 -0.0014 -0.0021 908 GLN 58 C 0.0046 -0.0005 -0.0014 909 GLN 58 O 0.0046 -0.0002 -0.0002 910 GLN 58 CB 0.0068 -0.0020 -0.0011 911 GLN 58 CG 0.0079 -0.0030 -0.0019 912 GLN 58 CD 0.0080 -0.0033 -0.0027 913 GLN 58 OE1 0.0084 -0.0034 -0.0021 914 GLN 58 NE2 0.0076 -0.0033 -0.0041 915 GLN 58 H 0.0057 -0.0018 -0.0038 916 GLN 58 HA 0.0057 -0.0016 -0.0030 917 GLN 58 HB3 0.0068 -0.0019 -0.0005 918 GLN 58 HB2 0.0069 -0.0019 -0.0003 919 GLN 58 HG3 0.0087 -0.0034 -0.0011 920 GLN 58 HG2 0.0079 -0.0032 -0.0026 921 GLN 58 HE22 0.0076 -0.0034 -0.0047 922 GLN 58 HE21 0.0072 -0.0031 -0.0045 923 ILE 59 N 0.0021 0.0009 0.0004 924 ILE 59 CA 0.0016 0.0012 0.0005 925 ILE 59 C 0.0021 0.0006 0.0002 926 ILE 59 O 0.0022 -0.0002 -0.0004 927 ILE 59 CB 0.0003 0.0011 0.0004 928 ILE 59 CG1 -0.0001 0.0019 0.0009 929 ILE 59 CG2 -0.0002 0.0013 0.0004 930 ILE 59 CD1 -0.0013 0.0018 0.0007 931 ILE 59 H 0.0017 0.0004 -0.0000 932 ILE 59 HA 0.0018 0.0019 0.0011 933 ILE 59 HB 0.0001 0.0005 -0.0001 934 ILE 59 HG13 0.0004 0.0019 0.0009 935 ILE 59 HG12 -0.0001 0.0026 0.0014 936 ILE 59 HG21 -0.0011 0.0013 0.0003 937 ILE 59 HG22 0.0001 0.0008 0.0001 938 ILE 59 HG23 -0.0000 0.0020 0.0009 939 ILE 59 HD11 -0.0016 0.0023 0.0010 940 ILE 59 HD12 -0.0014 0.0011 0.0002 941 ILE 59 HD13 -0.0019 0.0018 0.0006 942 ASN 60 N -0.0016 0.0045 0.0025 943 ASN 60 CA -0.0025 0.0051 0.0029 944 ASN 60 C -0.0020 0.0060 0.0032 945 ASN 60 O -0.0012 0.0057 0.0029 946 ASN 60 CB -0.0034 0.0042 0.0027 947 ASN 60 CG -0.0046 0.0047 0.0032 948 ASN 60 OD1 -0.0047 0.0048 0.0032 949 ASN 60 ND2 -0.0054 0.0050 0.0034 950 ASN 60 H -0.0014 0.0037 0.0021 951 ASN 60 HA -0.0030 0.0056 0.0032 952 ASN 60 HB3 -0.0030 0.0037 0.0025 953 ASN 60 HB2 -0.0037 0.0035 0.0025 954 ASN 60 HD22 -0.0062 0.0053 0.0037 955 ASN 60 HD21 -0.0053 0.0049 0.0034 956 SER 61 N -0.0038 0.0030 0.0047 957 SER 61 CA -0.0031 0.0034 0.0052 958 SER 61 C -0.0034 0.0026 0.0046 959 SER 61 O -0.0027 0.0027 0.0050 960 SER 61 CB -0.0037 0.0049 0.0060 961 SER 61 OG -0.0053 0.0051 0.0054 962 SER 61 H -0.0048 0.0036 0.0047 963 SER 61 HA -0.0019 0.0032 0.0057 964 SER 61 HB3 -0.0036 0.0056 0.0064 965 SER 61 HB2 -0.0031 0.0052 0.0064 966 SER 61 HG -0.0055 0.0057 0.0057 967 ARG 62 N -0.0033 0.0055 0.0054 968 ARG 62 CA -0.0039 0.0050 0.0053 969 ARG 62 C -0.0018 0.0038 0.0046 970 ARG 62 O -0.0013 0.0042 0.0047 971 ARG 62 CB -0.0063 0.0036 0.0050 972 ARG 62 CG -0.0069 0.0029 0.0048 973 ARG 62 CD -0.0097 0.0025 0.0050 974 ARG 62 NE -0.0109 0.0048 0.0060 975 ARG 62 CZ -0.0125 0.0056 0.0066 976 ARG 62 NH1 -0.0129 0.0043 0.0061 977 ARG 62 NH2 -0.0139 0.0073 0.0074 978 ARG 62 H -0.0040 0.0045 0.0051 979 ARG 62 HA -0.0042 0.0067 0.0060 980 ARG 62 HB3 -0.0062 0.0020 0.0044 981 ARG 62 HB2 -0.0078 0.0045 0.0056 982 ARG 62 HG3 -0.0063 0.0043 0.0053 983 ARG 62 HG2 -0.0060 0.0013 0.0041 984 ARG 62 HD3 -0.0101 0.0013 0.0045 985 ARG 62 HD2 -0.0105 0.0018 0.0048 986 ARG 62 HE -0.0105 0.0056 0.0063 987 ARG 62 HH12 -0.0141 0.0049 0.0065 988 ARG 62 HH11 -0.0121 0.0028 0.0054 989 ARG 62 HH22 -0.0151 0.0079 0.0078 990 ARG 62 HH21 -0.0137 0.0080 0.0077 991 TYR 63 N 0.0019 0.0016 -0.0009 992 TYR 63 CA 0.0047 -0.0003 -0.0022 993 TYR 63 C 0.0063 -0.0004 0.0006 994 TYR 63 O 0.0093 -0.0021 0.0003 995 TYR 63 CB 0.0029 -0.0005 -0.0059 996 TYR 63 CG 0.0013 -0.0004 -0.0089 997 TYR 63 CD1 0.0035 -0.0022 -0.0108 998 TYR 63 CD2 -0.0023 0.0013 -0.0097 999 TYR 63 CE1 0.0022 -0.0022 -0.0135 1000 TYR 63 CE2 -0.0037 0.0013 -0.0124 1001 TYR 63 CZ -0.0015 -0.0005 -0.0142 1002 TYR 63 OH -0.0028 -0.0006 -0.0170 1003 TYR 63 H -0.0005 0.0029 -0.0007 1004 TYR 63 HA 0.0068 -0.0017 -0.0029 1005 TYR 63 HB3 0.0049 -0.0019 -0.0071 1006 TYR 63 HB2 0.0009 0.0009 -0.0052 1007 TYR 63 HD1 0.0064 -0.0035 -0.0101 1008 TYR 63 HD2 -0.0041 0.0027 -0.0082 1009 TYR 63 HE1 0.0039 -0.0036 -0.0150 1010 TYR 63 HE2 -0.0065 0.0026 -0.0130 1011 TYR 63 HH -0.0051 0.0003 -0.0182 1012 TRP 64 N 0.0025 0.0004 0.0020 1013 TRP 64 CA 0.0004 0.0004 0.0027 1014 TRP 64 C -0.0002 -0.0016 0.0052 1015 TRP 64 O -0.0003 -0.0021 0.0058 1016 TRP 64 CB -0.0024 0.0020 0.0018 1017 TRP 64 CG -0.0018 0.0041 -0.0007 1018 TRP 64 CD1 -0.0019 0.0050 -0.0017 1019 TRP 64 CD2 -0.0009 0.0053 -0.0024 1020 TRP 64 NE1 -0.0012 0.0068 -0.0041 1021 TRP 64 CE2 -0.0006 0.0071 -0.0045 1022 TRP 64 CE3 -0.0004 0.0051 -0.0024 1023 TRP 64 CZ2 0.0003 0.0086 -0.0066 1024 TRP 64 CZ3 0.0004 0.0067 -0.0045 1025 TRP 64 CH2 0.0008 0.0084 -0.0065 1026 TRP 64 H 0.0021 0.0000 0.0025 1027 TRP 64 HA 0.0013 0.0009 0.0018 1028 TRP 64 HB3 -0.0039 0.0021 0.0022 1029 TRP 64 HB2 -0.0034 0.0016 0.0027 1030 TRP 64 HD1 -0.0026 0.0043 -0.0007 1031 TRP 64 HE1 -0.0012 0.0078 -0.0051 1032 TRP 64 HE3 -0.0007 0.0038 -0.0008 1033 TRP 64 HZ2 0.0005 0.0099 -0.0082 1034 TRP 64 HZ3 0.0008 0.0066 -0.0045 1035 TRP 64 HH2 0.0014 0.0096 -0.0081 1036 CYS 65 N 0.0010 -0.0022 0.0061 1037 CYS 65 CA 0.0008 -0.0030 0.0070 1038 CYS 65 C 0.0017 -0.0036 0.0076 1039 CYS 65 O 0.0022 -0.0034 0.0074 1040 CYS 65 CB -0.0005 -0.0032 0.0074 1041 CYS 65 SG -0.0009 -0.0032 0.0075 1042 CYS 65 H 0.0009 -0.0021 0.0059 1043 CYS 65 HA 0.0009 -0.0030 0.0070 1044 CYS 65 HB3 -0.0011 -0.0027 0.0070 1045 CYS 65 HB2 -0.0007 -0.0037 0.0081 1046 ASN 66 N 0.0016 -0.0048 0.0108 1047 ASN 66 CA 0.0022 -0.0047 0.0124 1048 ASN 66 C 0.0003 -0.0037 0.0150 1049 ASN 66 O 0.0002 -0.0034 0.0169 1050 ASN 66 CB 0.0054 -0.0054 0.0136 1051 ASN 66 CG 0.0061 -0.0053 0.0151 1052 ASN 66 OD1 0.0054 -0.0053 0.0141 1053 ASN 66 ND2 0.0077 -0.0054 0.0176 1054 ASN 66 H 0.0023 -0.0048 0.0117 1055 ASN 66 HA 0.0019 -0.0048 0.0109 1056 ASN 66 HB3 0.0058 -0.0053 0.0151 1057 ASN 66 HB2 0.0068 -0.0061 0.0117 1058 ASN 66 HD22 0.0083 -0.0054 0.0188 1059 ASN 66 HD21 0.0083 -0.0054 0.0183 1060 ASP 67 N -0.0012 0.0004 0.0096 1061 ASP 67 CA -0.0019 0.0025 0.0102 1062 ASP 67 C -0.0024 0.0028 0.0099 1063 ASP 67 O -0.0030 0.0045 0.0103 1064 ASP 67 CB -0.0032 0.0038 0.0096 1065 ASP 67 CG -0.0049 0.0033 0.0078 1066 ASP 67 OD1 -0.0051 0.0021 0.0069 1067 ASP 67 OD2 -0.0059 0.0042 0.0073 1068 ASP 67 H -0.0020 -0.0004 0.0084 1069 ASP 67 HA -0.0009 0.0030 0.0115 1070 ASP 67 HB3 -0.0028 0.0037 0.0101 1071 ASP 67 HB2 -0.0035 0.0053 0.0103 1072 GLY 68 N -0.0033 0.0058 0.0134 1073 GLY 68 CA -0.0061 0.0077 0.0121 1074 GLY 68 C -0.0121 0.0088 0.0090 1075 GLY 68 O -0.0148 0.0086 0.0075 1076 GLY 68 H -0.0022 0.0014 0.0132 1077 GLY 68 HA3 -0.0045 0.0117 0.0137 1078 GLY 68 HA2 -0.0051 0.0044 0.0121 1079 LYS 69 N -0.0105 0.0107 0.0045 1080 LYS 69 CA -0.0125 0.0112 0.0039 1081 LYS 69 C -0.0136 0.0093 0.0040 1082 LYS 69 O -0.0151 0.0095 0.0036 1083 LYS 69 CB -0.0119 0.0131 0.0036 1084 LYS 69 CG -0.0102 0.0127 0.0041 1085 LYS 69 CD -0.0101 0.0145 0.0037 1086 LYS 69 CE -0.0091 0.0137 0.0042 1087 LYS 69 NZ -0.0070 0.0150 0.0044 1088 LYS 69 H -0.0092 0.0103 0.0050 1089 LYS 69 HA -0.0136 0.0118 0.0034 1090 LYS 69 HB3 -0.0114 0.0146 0.0034 1091 LYS 69 HB2 -0.0135 0.0136 0.0030 1092 LYS 69 HG3 -0.0107 0.0111 0.0044 1093 LYS 69 HG2 -0.0087 0.0126 0.0046 1094 LYS 69 HD3 -0.0091 0.0159 0.0037 1095 LYS 69 HD2 -0.0117 0.0150 0.0032 1096 LYS 69 HE3 -0.0102 0.0139 0.0038 1097 LYS 69 HE2 -0.0088 0.0120 0.0047 1098 LYS 69 HZ1 -0.0063 0.0145 0.0047 1099 LYS 69 HZ2 -0.0073 0.0166 0.0040 1100 LYS 69 HZ3 -0.0059 0.0148 0.0048 1101 THR 70 N -0.0099 0.0085 0.0048 1102 THR 70 CA -0.0102 0.0079 0.0051 1103 THR 70 C -0.0111 0.0072 0.0051 1104 THR 70 O -0.0111 0.0067 0.0054 1105 THR 70 CB -0.0095 0.0075 0.0060 1106 THR 70 OG1 -0.0086 0.0082 0.0060 1107 THR 70 CG2 -0.0097 0.0069 0.0062 1108 THR 70 H -0.0096 0.0084 0.0052 1109 THR 70 HA -0.0103 0.0082 0.0048 1110 THR 70 HB -0.0094 0.0071 0.0063 1111 THR 70 HG1 -0.0085 0.0086 0.0058 1112 THR 70 HG21 -0.0092 0.0066 0.0068 1113 THR 70 HG22 -0.0103 0.0064 0.0062 1114 THR 70 HG23 -0.0097 0.0073 0.0059 1115 PRO 71 N -0.0169 0.0105 0.0017 1116 PRO 71 CA -0.0201 0.0105 0.0029 1117 PRO 71 C -0.0203 0.0091 0.0058 1118 PRO 71 O -0.0181 0.0080 0.0073 1119 PRO 71 CB -0.0210 0.0103 0.0035 1120 PRO 71 CG -0.0186 0.0107 0.0018 1121 PRO 71 CD -0.0156 0.0104 0.0014 1122 PRO 71 HA -0.0217 0.0114 0.0014 1123 PRO 71 HB3 -0.0233 0.0111 0.0028 1124 PRO 71 HB2 -0.0208 0.0092 0.0058 1125 PRO 71 HG3 -0.0195 0.0119 -0.0003 1126 PRO 71 HG2 -0.0181 0.0101 0.0030 1127 PRO 71 HD2 -0.0142 0.0093 0.0032 1128 PRO 71 HD3 -0.0145 0.0112 -0.0007 1129 GLY 72 N -0.0207 0.0160 0.0077 1130 GLY 72 CA -0.0178 0.0080 0.0065 1131 GLY 72 C -0.0079 0.0045 0.0040 1132 GLY 72 O -0.0059 -0.0041 0.0030 1133 GLY 72 H -0.0222 0.0222 0.0085 1134 GLY 72 HA3 -0.0229 0.0019 0.0073 1135 GLY 72 HA2 -0.0181 0.0102 0.0068 1136 ALA 73 N 0.0006 -0.0000 0.0059 1137 ALA 73 CA 0.0025 -0.0006 0.0058 1138 ALA 73 C 0.0069 -0.0024 0.0046 1139 ALA 73 O 0.0093 -0.0021 0.0056 1140 ALA 73 CB 0.0029 0.0022 0.0094 1141 ALA 73 H 0.0003 0.0018 0.0082 1142 ALA 73 HA 0.0004 -0.0015 0.0040 1143 ALA 73 HB1 0.0043 0.0018 0.0093 1144 ALA 73 HB2 -0.0003 0.0035 0.0102 1145 ALA 73 HB3 0.0048 0.0032 0.0112 1146 VAL 74 N 0.0164 -0.0069 0.0057 1147 VAL 74 CA 0.0209 -0.0084 0.0035 1148 VAL 74 C 0.0218 -0.0082 0.0069 1149 VAL 74 O 0.0267 -0.0095 0.0071 1150 VAL 74 CB 0.0195 -0.0090 -0.0032 1151 VAL 74 CG1 0.0235 -0.0105 -0.0057 1152 VAL 74 CG2 0.0198 -0.0096 -0.0065 1153 VAL 74 H 0.0123 -0.0059 0.0047 1154 VAL 74 HA 0.0250 -0.0095 0.0038 1155 VAL 74 HB 0.0151 -0.0079 -0.0037 1156 VAL 74 HG11 0.0224 -0.0108 -0.0104 1157 VAL 74 HG12 0.0231 -0.0100 -0.0032 1158 VAL 74 HG13 0.0280 -0.0116 -0.0052 1159 VAL 74 HG21 0.0189 -0.0100 -0.0113 1160 VAL 74 HG22 0.0241 -0.0106 -0.0058 1161 VAL 74 HG23 0.0165 -0.0084 -0.0047 1162 ASN 75 N 0.0124 -0.0087 0.0051 1163 ASN 75 CA 0.0104 -0.0091 0.0070 1164 ASN 75 C 0.0099 -0.0082 0.0064 1165 ASN 75 O 0.0099 -0.0093 0.0076 1166 ASN 75 CB 0.0110 -0.0114 0.0092 1167 ASN 75 CG 0.0086 -0.0117 0.0114 1168 ASN 75 OD1 0.0065 -0.0102 0.0113 1169 ASN 75 ND2 0.0089 -0.0137 0.0135 1170 ASN 75 H 0.0119 -0.0080 0.0047 1171 ASN 75 HA 0.0087 -0.0082 0.0074 1172 ASN 75 HB3 0.0125 -0.0123 0.0091 1173 ASN 75 HB2 0.0119 -0.0122 0.0094 1174 ASN 75 HD22 0.0073 -0.0139 0.0149 1175 ASN 75 HD21 0.0107 -0.0150 0.0136 1176 ALA 76 N 0.0097 -0.0070 0.0035 1177 ALA 76 CA 0.0091 -0.0055 0.0021 1178 ALA 76 C 0.0053 -0.0053 0.0047 1179 ALA 76 O 0.0050 -0.0051 0.0047 1180 ALA 76 CB 0.0090 -0.0022 -0.0019 1181 ALA 76 H 0.0094 -0.0057 0.0020 1182 ALA 76 HA 0.0117 -0.0071 0.0020 1183 ALA 76 HB1 0.0085 -0.0011 -0.0029 1184 ALA 76 HB2 0.0119 -0.0026 -0.0037 1185 ALA 76 HB3 0.0065 -0.0006 -0.0020 1186 CYS 77 N 0.0024 -0.0035 0.0055 1187 CYS 77 CA -0.0008 -0.0036 0.0075 1188 CYS 77 C -0.0011 -0.0069 0.0096 1189 CYS 77 O -0.0037 -0.0074 0.0114 1190 CYS 77 CB -0.0029 -0.0025 0.0080 1191 CYS 77 SG -0.0036 0.0018 0.0059 1192 CYS 77 H 0.0032 -0.0037 0.0051 1193 CYS 77 HA -0.0017 -0.0021 0.0071 1194 CYS 77 HB3 -0.0052 -0.0031 0.0097 1195 CYS 77 HB2 -0.0018 -0.0037 0.0081 1196 HIS 78 N 0.0037 -0.0118 0.0131 1197 HIS 78 CA 0.0035 -0.0173 0.0163 1198 HIS 78 C 0.0002 -0.0171 0.0202 1199 HIS 78 O -0.0023 -0.0192 0.0244 1200 HIS 78 CB 0.0033 -0.0202 0.0181 1201 HIS 78 CG 0.0070 -0.0212 0.0141 1202 HIS 78 ND1 0.0072 -0.0177 0.0120 1203 HIS 78 CD2 0.0106 -0.0254 0.0120 1204 HIS 78 CE1 0.0108 -0.0196 0.0086 1205 HIS 78 NE2 0.0130 -0.0244 0.0086 1206 HIS 78 H 0.0063 -0.0114 0.0096 1207 HIS 78 HA 0.0063 -0.0198 0.0142 1208 HIS 78 HB3 0.0030 -0.0242 0.0206 1209 HIS 78 HB2 0.0006 -0.0177 0.0200 1210 HIS 78 HD1 0.0048 -0.0143 0.0131 1211 HIS 78 HD2 0.0112 -0.0287 0.0131 1212 HIS 78 HE1 0.0115 -0.0174 0.0065 1213 LEU 79 N -0.0014 -0.0094 0.0098 1214 LEU 79 CA -0.0030 -0.0114 0.0101 1215 LEU 79 C -0.0013 -0.0133 0.0110 1216 LEU 79 O 0.0007 -0.0126 0.0112 1217 LEU 79 CB -0.0044 -0.0100 0.0094 1218 LEU 79 CG -0.0071 -0.0094 0.0087 1219 LEU 79 CD1 -0.0081 -0.0087 0.0083 1220 LEU 79 CD2 -0.0092 -0.0112 0.0088 1221 LEU 79 H 0.0004 -0.0088 0.0100 1222 LEU 79 HA -0.0045 -0.0123 0.0101 1223 LEU 79 HB3 -0.0038 -0.0109 0.0098 1224 LEU 79 HB2 -0.0032 -0.0082 0.0091 1225 LEU 79 HG -0.0072 -0.0076 0.0081 1226 LEU 79 HD11 -0.0102 -0.0083 0.0077 1227 LEU 79 HD12 -0.0069 -0.0069 0.0080 1228 LEU 79 HD13 -0.0078 -0.0103 0.0088 1229 LEU 79 HD21 -0.0112 -0.0104 0.0082 1230 LEU 79 HD22 -0.0092 -0.0131 0.0094 1231 LEU 79 HD23 -0.0088 -0.0112 0.0089 1232 SER 80 N -0.0020 -0.0097 0.0070 1233 SER 80 CA -0.0021 -0.0101 0.0076 1234 SER 80 C -0.0026 -0.0103 0.0074 1235 SER 80 O -0.0032 -0.0103 0.0069 1236 SER 80 CB -0.0023 -0.0106 0.0080 1237 SER 80 OG -0.0025 -0.0111 0.0085 1238 SER 80 H -0.0022 -0.0097 0.0069 1239 SER 80 HA -0.0016 -0.0101 0.0079 1240 SER 80 HB3 -0.0028 -0.0107 0.0077 1241 SER 80 HB2 -0.0019 -0.0105 0.0082 1242 SER 80 HG -0.0021 -0.0111 0.0088 1243 CYS 81 N -0.0012 -0.0056 0.0038 1244 CYS 81 CA -0.0008 -0.0062 0.0040 1245 CYS 81 C -0.0012 -0.0075 0.0032 1246 CYS 81 O -0.0013 -0.0078 0.0030 1247 CYS 81 CB 0.0005 -0.0065 0.0049 1248 CYS 81 SG 0.0011 -0.0050 0.0059 1249 CYS 81 H -0.0007 -0.0055 0.0042 1250 CYS 81 HA -0.0010 -0.0054 0.0039 1251 CYS 81 HB3 0.0008 -0.0070 0.0050 1252 CYS 81 HB2 0.0008 -0.0073 0.0050 1253 SER 82 N -0.0010 -0.0144 0.0011 1254 SER 82 CA -0.0022 -0.0180 -0.0016 1255 SER 82 C -0.0054 -0.0168 -0.0034 1256 SER 82 O -0.0056 -0.0194 -0.0048 1257 SER 82 CB -0.0032 -0.0207 -0.0037 1258 SER 82 OG -0.0067 -0.0186 -0.0052 1259 SER 82 H -0.0012 -0.0138 0.0013 1260 SER 82 HA 0.0003 -0.0200 -0.0008 1261 SER 82 HB3 -0.0009 -0.0213 -0.0023 1262 SER 82 HB2 -0.0034 -0.0237 -0.0054 1263 SER 82 HG -0.0063 -0.0163 -0.0037 1264 ALA 83 N -0.0059 -0.0197 -0.0008 1265 ALA 83 CA -0.0077 -0.0187 -0.0010 1266 ALA 83 C -0.0062 -0.0181 0.0003 1267 ALA 83 O -0.0073 -0.0179 -0.0001 1268 ALA 83 CB -0.0100 -0.0164 -0.0003 1269 ALA 83 H -0.0061 -0.0188 -0.0002 1270 ALA 83 HA -0.0088 -0.0201 -0.0026 1271 ALA 83 HB1 -0.0114 -0.0156 -0.0004 1272 ALA 83 HB2 -0.0112 -0.0168 -0.0013 1273 ALA 83 HB3 -0.0090 -0.0150 0.0013 1274 LEU 84 N -0.0028 -0.0127 -0.0026 1275 LEU 84 CA -0.0009 -0.0115 -0.0011 1276 LEU 84 C 0.0015 -0.0130 -0.0021 1277 LEU 84 O 0.0034 -0.0123 -0.0010 1278 LEU 84 CB 0.0006 -0.0101 0.0007 1279 LEU 84 CG -0.0015 -0.0086 0.0018 1280 LEU 84 CD1 0.0001 -0.0074 0.0034 1281 LEU 84 CD2 -0.0035 -0.0071 0.0029 1282 LEU 84 H -0.0022 -0.0131 -0.0029 1283 LEU 84 HA -0.0021 -0.0106 -0.0003 1284 LEU 84 HB3 0.0021 -0.0093 0.0018 1285 LEU 84 HB2 0.0020 -0.0111 -0.0000 1286 LEU 84 HG -0.0028 -0.0094 0.0007 1287 LEU 84 HD11 -0.0015 -0.0063 0.0042 1288 LEU 84 HD12 0.0013 -0.0084 0.0025 1289 LEU 84 HD13 0.0016 -0.0065 0.0045 1290 LEU 84 HD21 -0.0049 -0.0061 0.0037 1291 LEU 84 HD22 -0.0022 -0.0063 0.0040 1292 LEU 84 HD23 -0.0048 -0.0081 0.0017 1293 HIS 85 N 0.0065 -0.0118 -0.0055 1294 HIS 85 CA 0.0083 -0.0112 -0.0066 1295 HIS 85 C 0.0099 -0.0108 -0.0074 1296 HIS 85 O 0.0113 -0.0101 -0.0085 1297 HIS 85 CB 0.0074 -0.0104 -0.0082 1298 HIS 85 CG 0.0060 -0.0107 -0.0076 1299 HIS 85 ND1 0.0050 -0.0100 -0.0089 1300 HIS 85 CD2 0.0056 -0.0117 -0.0058 1301 HIS 85 CE1 0.0039 -0.0106 -0.0079 1302 HIS 85 NE2 0.0042 -0.0116 -0.0060 1303 HIS 85 H 0.0054 -0.0114 -0.0062 1304 HIS 85 HA 0.0092 -0.0117 -0.0056 1305 HIS 85 HB2 0.0064 -0.0099 -0.0091 1306 HIS 85 HB3 0.0088 -0.0099 -0.0090 1307 HIS 85 HD2 0.0062 -0.0123 -0.0045 1308 HIS 85 HE1 0.0030 -0.0101 -0.0087 1309 HIS 85 HE2 0.0037 -0.0122 -0.0048 1310 GLN 86 N 0.0039 -0.0256 -0.0138 1311 GLN 86 CA 0.0002 -0.0270 -0.0149 1312 GLN 86 C 0.0026 -0.0239 -0.0118 1313 GLN 86 O 0.0052 -0.0200 -0.0079 1314 GLN 86 CB -0.0074 -0.0264 -0.0134 1315 GLN 86 CG -0.0109 -0.0297 -0.0166 1316 GLN 86 CD -0.0183 -0.0286 -0.0145 1317 GLN 86 OE1 -0.0227 -0.0306 -0.0162 1318 GLN 86 NE2 -0.0198 -0.0257 -0.0111 1319 GLN 86 H 0.0016 -0.0237 -0.0115 1320 GLN 86 HA 0.0009 -0.0305 -0.0189 1321 GLN 86 HB3 -0.0100 -0.0267 -0.0135 1322 GLN 86 HB2 -0.0080 -0.0228 -0.0094 1323 GLN 86 HG3 -0.0083 -0.0293 -0.0165 1324 GLN 86 HG2 -0.0108 -0.0332 -0.0205 1325 GLN 86 HE22 -0.0246 -0.0249 -0.0097 1326 GLN 86 HE21 -0.0161 -0.0240 -0.0098 1327 ASP 87 N -0.0002 -0.0297 -0.0187 1328 ASP 87 CA 0.0032 -0.0256 -0.0137 1329 ASP 87 C -0.0015 -0.0241 -0.0062 1330 ASP 87 O 0.0013 -0.0201 -0.0009 1331 ASP 87 CB 0.0046 -0.0262 -0.0163 1332 ASP 87 CG 0.0110 -0.0261 -0.0221 1333 ASP 87 OD1 0.0153 -0.0252 -0.0243 1334 ASP 87 OD2 0.0119 -0.0269 -0.0245 1335 ASP 87 H -0.0024 -0.0326 -0.0225 1336 ASP 87 HA 0.0084 -0.0230 -0.0134 1337 ASP 87 HB3 0.0051 -0.0237 -0.0117 1338 ASP 87 HB2 -0.0002 -0.0293 -0.0179 1339 ASN 88 N -0.0048 -0.0297 -0.0075 1340 ASN 88 CA -0.0101 -0.0268 -0.0029 1341 ASN 88 C -0.0079 -0.0240 -0.0018 1342 ASN 88 O -0.0065 -0.0271 -0.0047 1343 ASN 88 CB -0.0169 -0.0317 -0.0037 1344 ASN 88 CG -0.0228 -0.0289 0.0010 1345 ASN 88 OD1 -0.0232 -0.0264 0.0030 1346 ASN 88 ND2 -0.0274 -0.0293 0.0027 1347 ASN 88 H -0.0057 -0.0342 -0.0105 1348 ASN 88 HA -0.0108 -0.0233 -0.0000 1349 ASN 88 HB3 -0.0163 -0.0347 -0.0063 1350 ASN 88 HB2 -0.0179 -0.0343 -0.0052 1351 ASN 88 HD22 -0.0316 -0.0276 0.0058 1352 ASN 88 HD21 -0.0268 -0.0314 0.0009 1353 ILE 89 N -0.0048 -0.0162 0.0021 1354 ILE 89 CA -0.0036 -0.0143 0.0040 1355 ILE 89 C -0.0074 -0.0134 0.0060 1356 ILE 89 O -0.0068 -0.0115 0.0080 1357 ILE 89 CB 0.0001 -0.0115 0.0062 1358 ILE 89 CG1 -0.0015 -0.0093 0.0092 1359 ILE 89 CG2 0.0043 -0.0126 0.0039 1360 ILE 89 CD1 0.0019 -0.0063 0.0117 1361 ILE 89 H -0.0053 -0.0152 0.0034 1362 ILE 89 HA -0.0021 -0.0157 0.0020 1363 ILE 89 HB 0.0010 -0.0103 0.0073 1364 ILE 89 HG13 -0.0046 -0.0088 0.0106 1365 ILE 89 HG12 -0.0024 -0.0104 0.0082 1366 ILE 89 HG21 0.0069 -0.0106 0.0055 1367 ILE 89 HG22 0.0055 -0.0140 0.0020 1368 ILE 89 HG23 0.0034 -0.0139 0.0026 1369 ILE 89 HD11 0.0004 -0.0048 0.0138 1370 ILE 89 HD12 0.0027 -0.0052 0.0128 1371 ILE 89 HD13 0.0049 -0.0068 0.0104 1372 ALA 90 N -0.0131 -0.0149 0.0036 1373 ALA 90 CA -0.0174 -0.0125 0.0055 1374 ALA 90 C -0.0156 -0.0124 0.0055 1375 ALA 90 O -0.0161 -0.0085 0.0081 1376 ALA 90 CB -0.0236 -0.0150 0.0041 1377 ALA 90 H -0.0145 -0.0179 0.0017 1378 ALA 90 HA -0.0178 -0.0087 0.0081 1379 ALA 90 HB1 -0.0267 -0.0130 0.0056 1380 ALA 90 HB2 -0.0252 -0.0148 0.0043 1381 ALA 90 HB3 -0.0234 -0.0188 0.0015 1382 ASP 91 N -0.0176 -0.0121 0.0037 1383 ASP 91 CA -0.0163 -0.0118 0.0041 1384 ASP 91 C -0.0117 -0.0093 0.0063 1385 ASP 91 O -0.0116 -0.0069 0.0082 1386 ASP 91 CB -0.0156 -0.0158 0.0010 1387 ASP 91 CG -0.0205 -0.0179 -0.0010 1388 ASP 91 OD1 -0.0246 -0.0160 0.0001 1389 ASP 91 OD2 -0.0202 -0.0216 -0.0037 1390 ASP 91 H -0.0172 -0.0149 0.0016 1391 ASP 91 HA -0.0194 -0.0102 0.0050 1392 ASP 91 HB3 -0.0138 -0.0155 0.0014 1393 ASP 91 HB2 -0.0131 -0.0178 -0.0002 1394 ALA 92 N -0.0079 -0.0100 0.0035 1395 ALA 92 CA -0.0046 -0.0075 0.0042 1396 ALA 92 C -0.0057 -0.0037 0.0062 1397 ALA 92 O -0.0038 -0.0017 0.0069 1398 ALA 92 CB -0.0023 -0.0077 0.0037 1399 ALA 92 H -0.0085 -0.0114 0.0029 1400 ALA 92 HA -0.0027 -0.0082 0.0035 1401 ALA 92 HB1 0.0002 -0.0058 0.0042 1402 ALA 92 HB2 -0.0013 -0.0103 0.0022 1403 ALA 92 HB3 -0.0041 -0.0071 0.0043 1404 VAL 93 N -0.0045 -0.0029 0.0070 1405 VAL 93 CA -0.0054 -0.0009 0.0088 1406 VAL 93 C -0.0070 -0.0005 0.0093 1407 VAL 93 O -0.0067 0.0012 0.0107 1408 VAL 93 CB -0.0069 -0.0007 0.0091 1409 VAL 93 CG1 -0.0085 0.0011 0.0108 1410 VAL 93 CG2 -0.0049 -0.0005 0.0091 1411 VAL 93 H -0.0051 -0.0039 0.0062 1412 VAL 93 HA -0.0038 0.0001 0.0096 1413 VAL 93 HB -0.0082 -0.0020 0.0081 1414 VAL 93 HG11 -0.0095 0.0012 0.0109 1415 VAL 93 HG12 -0.0099 0.0010 0.0107 1416 VAL 93 HG13 -0.0072 0.0024 0.0118 1417 VAL 93 HG21 -0.0060 -0.0004 0.0093 1418 VAL 93 HG22 -0.0036 0.0007 0.0101 1419 VAL 93 HG23 -0.0039 -0.0018 0.0079 1420 ALA 94 N -0.0123 0.0005 0.0074 1421 ALA 94 CA -0.0127 0.0010 0.0076 1422 ALA 94 C -0.0089 0.0018 0.0073 1423 ALA 94 O -0.0085 0.0039 0.0077 1424 ALA 94 CB -0.0147 -0.0023 0.0071 1425 ALA 94 H -0.0131 -0.0019 0.0070 1426 ALA 94 HA -0.0144 0.0034 0.0083 1427 ALA 94 HB1 -0.0150 -0.0019 0.0072 1428 ALA 94 HB2 -0.0174 -0.0027 0.0073 1429 ALA 94 HB3 -0.0130 -0.0047 0.0064 1430 CYS 95 N -0.0097 0.0014 0.0059 1431 CYS 95 CA -0.0071 0.0016 0.0051 1432 CYS 95 C -0.0067 0.0040 0.0042 1433 CYS 95 O -0.0050 0.0051 0.0034 1434 CYS 95 CB -0.0060 -0.0004 0.0054 1435 CYS 95 SG -0.0028 -0.0004 0.0046 1436 CYS 95 H -0.0105 0.0004 0.0065 1437 CYS 95 HA -0.0063 0.0015 0.0050 1438 CYS 95 HB3 -0.0069 -0.0003 0.0057 1439 CYS 95 HB2 -0.0065 -0.0020 0.0061 1440 ALA 96 N -0.0031 0.0052 0.0009 1441 ALA 96 CA -0.0025 0.0075 0.0007 1442 ALA 96 C -0.0032 0.0089 0.0010 1443 ALA 96 O -0.0021 0.0105 0.0006 1444 ALA 96 CB -0.0033 0.0083 0.0010 1445 ALA 96 H -0.0041 0.0045 0.0012 1446 ALA 96 HA -0.0009 0.0076 0.0001 1447 ALA 96 HB1 -0.0029 0.0100 0.0008 1448 ALA 96 HB2 -0.0027 0.0073 0.0008 1449 ALA 96 HB3 -0.0050 0.0082 0.0016 1450 LYS 97 N -0.0045 0.0085 0.0016 1451 LYS 97 CA -0.0049 0.0083 0.0022 1452 LYS 97 C -0.0040 0.0069 0.0009 1453 LYS 97 O -0.0037 0.0074 0.0004 1454 LYS 97 CB -0.0061 0.0073 0.0042 1455 LYS 97 CG -0.0071 0.0090 0.0057 1456 LYS 97 CD -0.0083 0.0080 0.0076 1457 LYS 97 CE -0.0093 0.0096 0.0091 1458 LYS 97 NZ -0.0104 0.0085 0.0110 1459 LYS 97 H -0.0050 0.0080 0.0025 1460 LYS 97 HA -0.0049 0.0099 0.0022 1461 LYS 97 HB3 -0.0063 0.0068 0.0046 1462 LYS 97 HB2 -0.0061 0.0059 0.0044 1463 LYS 97 HG3 -0.0069 0.0096 0.0054 1464 LYS 97 HG2 -0.0071 0.0104 0.0057 1465 LYS 97 HD3 -0.0084 0.0072 0.0079 1466 LYS 97 HD2 -0.0082 0.0067 0.0077 1467 LYS 97 HE3 -0.0091 0.0105 0.0088 1468 LYS 97 HE2 -0.0093 0.0109 0.0092 1469 LYS 97 HZ1 -0.0109 0.0094 0.0118 1470 LYS 97 HZ2 -0.0102 0.0070 0.0108 1471 LYS 97 HZ3 -0.0107 0.0084 0.0116 1472 ARG 98 N -0.0079 0.0101 0.0001 1473 ARG 98 CA -0.0062 0.0098 -0.0003 1474 ARG 98 C -0.0056 0.0104 -0.0014 1475 ARG 98 O -0.0045 0.0109 -0.0024 1476 ARG 98 CB -0.0054 0.0085 0.0009 1477 ARG 98 CG -0.0036 0.0081 0.0005 1478 ARG 98 CD -0.0026 0.0083 -0.0002 1479 ARG 98 NE -0.0009 0.0080 -0.0007 1480 ARG 98 CZ -0.0002 0.0087 -0.0019 1481 ARG 98 NH1 -0.0010 0.0098 -0.0028 1482 ARG 98 NH2 0.0014 0.0083 -0.0021 1483 ARG 98 H -0.0084 0.0095 0.0011 1484 ARG 98 HA -0.0058 0.0100 -0.0007 1485 ARG 98 HB3 -0.0060 0.0082 0.0015 1486 ARG 98 HB2 -0.0056 0.0080 0.0015 1487 ARG 98 HG3 -0.0034 0.0086 -0.0002 1488 ARG 98 HG2 -0.0032 0.0072 0.0014 1489 ARG 98 HD3 -0.0027 0.0077 0.0005 1490 ARG 98 HD2 -0.0031 0.0092 -0.0010 1491 ARG 98 HE -0.0002 0.0072 -0.0000 1492 ARG 98 HH12 -0.0004 0.0103 -0.0037 1493 ARG 98 HH11 -0.0022 0.0101 -0.0025 1494 ARG 98 HH22 0.0020 0.0088 -0.0030 1495 ARG 98 HH21 0.0020 0.0075 -0.0015 1496 VAL 99 N -0.0055 0.0108 -0.0032 1497 VAL 99 CA -0.0045 0.0121 -0.0052 1498 VAL 99 C -0.0047 0.0140 -0.0066 1499 VAL 99 O -0.0032 0.0145 -0.0084 1500 VAL 99 CB -0.0055 0.0129 -0.0050 1501 VAL 99 CG1 -0.0047 0.0145 -0.0071 1502 VAL 99 CG2 -0.0051 0.0110 -0.0036 1503 VAL 99 H -0.0067 0.0105 -0.0019 1504 VAL 99 HA -0.0027 0.0110 -0.0058 1505 VAL 99 HB -0.0073 0.0138 -0.0042 1506 VAL 99 HG11 -0.0055 0.0151 -0.0068 1507 VAL 99 HG12 -0.0052 0.0160 -0.0079 1508 VAL 99 HG13 -0.0029 0.0137 -0.0079 1509 VAL 99 HG21 -0.0059 0.0117 -0.0035 1510 VAL 99 HG22 -0.0034 0.0100 -0.0043 1511 VAL 99 HG23 -0.0059 0.0100 -0.0021 1512 VAL 100 N -0.0044 0.0132 -0.0076 1513 VAL 100 CA -0.0042 0.0129 -0.0070 1514 VAL 100 C -0.0045 0.0113 -0.0063 1515 VAL 100 O -0.0045 0.0110 -0.0058 1516 VAL 100 CB -0.0035 0.0141 -0.0059 1517 VAL 100 CG1 -0.0033 0.0157 -0.0068 1518 VAL 100 CG2 -0.0031 0.0140 -0.0045 1519 VAL 100 H -0.0040 0.0137 -0.0070 1520 VAL 100 HA -0.0045 0.0131 -0.0079 1521 VAL 100 HB -0.0035 0.0140 -0.0057 1522 VAL 100 HG11 -0.0028 0.0165 -0.0060 1523 VAL 100 HG12 -0.0036 0.0158 -0.0077 1524 VAL 100 HG13 -0.0034 0.0159 -0.0071 1525 VAL 100 HG21 -0.0027 0.0149 -0.0038 1526 VAL 100 HG22 -0.0032 0.0141 -0.0047 1527 VAL 100 HG23 -0.0033 0.0129 -0.0039 1528 ARG 101 N -0.0060 0.0119 -0.0054 1529 ARG 101 CA -0.0052 0.0103 -0.0056 1530 ARG 101 C -0.0049 0.0096 -0.0074 1531 ARG 101 O -0.0043 0.0085 -0.0081 1532 ARG 101 CB -0.0044 0.0092 -0.0041 1533 ARG 101 CG -0.0045 0.0096 -0.0023 1534 ARG 101 CD -0.0037 0.0083 -0.0009 1535 ARG 101 NE -0.0034 0.0079 -0.0004 1536 ARG 101 CZ -0.0037 0.0085 0.0010 1537 ARG 101 NH1 -0.0043 0.0098 0.0019 1538 ARG 101 NH2 -0.0033 0.0079 0.0014 1539 ARG 101 H -0.0060 0.0119 -0.0047 1540 ARG 101 HA -0.0053 0.0105 -0.0054 1541 ARG 101 HB3 -0.0038 0.0080 -0.0045 1542 ARG 101 HB2 -0.0044 0.0092 -0.0039 1543 ARG 101 HG3 -0.0051 0.0106 -0.0017 1544 ARG 101 HG2 -0.0047 0.0099 -0.0025 1545 ARG 101 HD3 -0.0038 0.0086 0.0003 1546 ARG 101 HD2 -0.0031 0.0072 -0.0015 1547 ARG 101 HE -0.0030 0.0071 -0.0013 1548 ARG 101 HH12 -0.0045 0.0102 0.0030 1549 ARG 101 HH11 -0.0046 0.0103 0.0016 1550 ARG 101 HH22 -0.0035 0.0084 0.0025 1551 ARG 101 HH21 -0.0029 0.0070 0.0007 1552 ASP 102 N -0.0079 0.0093 -0.0102 1553 ASP 102 CA -0.0106 0.0075 -0.0128 1554 ASP 102 C -0.0117 0.0056 -0.0143 1555 ASP 102 O -0.0111 0.0067 -0.0135 1556 ASP 102 CB -0.0135 0.0104 -0.0135 1557 ASP 102 CG -0.0130 0.0112 -0.0129 1558 ASP 102 OD1 -0.0102 0.0099 -0.0116 1559 ASP 102 OD2 -0.0154 0.0131 -0.0137 1560 ASP 102 H -0.0085 0.0121 -0.0095 1561 ASP 102 HA -0.0097 0.0055 -0.0130 1562 ASP 102 HB3 -0.0158 0.0095 -0.0154 1563 ASP 102 HB2 -0.0137 0.0130 -0.0126 1564 PRO 103 N -0.0324 -0.0088 -0.0142 1565 PRO 103 CA -0.0314 -0.0164 -0.0098 1566 PRO 103 C -0.0276 -0.0047 -0.0120 1567 PRO 103 O -0.0194 -0.0077 -0.0034 1568 PRO 103 CB -0.0461 -0.0290 -0.0167 1569 PRO 103 CG -0.0510 -0.0336 -0.0188 1570 PRO 103 CD -0.0449 -0.0176 -0.0210 1571 PRO 103 HA -0.0237 -0.0237 0.0004 1572 PRO 103 HB3 -0.0453 -0.0403 -0.0107 1573 PRO 103 HB2 -0.0532 -0.0227 -0.0259 1574 PRO 103 HG3 -0.0467 -0.0436 -0.0103 1575 PRO 103 HG2 -0.0625 -0.0368 -0.0274 1576 PRO 103 HD2 -0.0523 -0.0100 -0.0310 1577 PRO 103 HD3 -0.0418 -0.0210 -0.0167 1578 GLN 104 N -0.0210 0.0013 -0.0153 1579 GLN 104 CA -0.0206 0.0022 -0.0155 1580 GLN 104 C -0.0158 0.0034 -0.0149 1581 GLN 104 O -0.0145 0.0033 -0.0146 1582 GLN 104 CB -0.0232 0.0062 -0.0175 1583 GLN 104 CG -0.0276 0.0057 -0.0183 1584 GLN 104 CD -0.0294 0.0098 -0.0201 1585 GLN 104 OE1 -0.0313 0.0099 -0.0206 1586 GLN 104 NE2 -0.0284 0.0134 -0.0211 1587 GLN 104 H -0.0227 0.0033 -0.0164 1588 GLN 104 HA -0.0219 -0.0006 -0.0148 1589 GLN 104 HB3 -0.0210 0.0085 -0.0178 1590 GLN 104 HB2 -0.0234 0.0082 -0.0182 1591 GLN 104 HG3 -0.0300 0.0042 -0.0183 1592 GLN 104 HG2 -0.0275 0.0033 -0.0174 1593 GLN 104 HE22 -0.0295 0.0163 -0.0224 1594 GLN 104 HE21 -0.0266 0.0133 -0.0207 1595 GLY 105 N -0.0084 0.0097 -0.0121 1596 GLY 105 CA -0.0055 0.0112 -0.0109 1597 GLY 105 C -0.0050 0.0143 -0.0122 1598 GLY 105 O -0.0064 0.0159 -0.0140 1599 GLY 105 H -0.0094 0.0089 -0.0124 1600 GLY 105 HA3 -0.0045 0.0100 -0.0095 1601 GLY 105 HA2 -0.0047 0.0113 -0.0103 1602 ILE 106 N 0.0009 0.0116 -0.0090 1603 ILE 106 CA 0.0014 0.0126 -0.0095 1604 ILE 106 C 0.0002 0.0125 -0.0094 1605 ILE 106 O 0.0002 0.0134 -0.0099 1606 ILE 106 CB 0.0033 0.0123 -0.0093 1607 ILE 106 CG1 0.0041 0.0134 -0.0100 1608 ILE 106 CG2 0.0035 0.0107 -0.0085 1609 ILE 106 CD1 0.0060 0.0135 -0.0101 1610 ILE 106 H 0.0016 0.0107 -0.0085 1611 ILE 106 HA 0.0014 0.0138 -0.0102 1612 ILE 106 HB 0.0040 0.0123 -0.0094 1613 ILE 106 HG13 0.0035 0.0145 -0.0106 1614 ILE 106 HG12 0.0037 0.0132 -0.0099 1615 ILE 106 HG21 0.0048 0.0105 -0.0084 1616 ILE 106 HG22 0.0031 0.0099 -0.0080 1617 ILE 106 HG23 0.0026 0.0106 -0.0084 1618 ILE 106 HD11 0.0064 0.0144 -0.0106 1619 ILE 106 HD12 0.0064 0.0138 -0.0103 1620 ILE 106 HD13 0.0066 0.0124 -0.0095 1621 ARG 107 N -0.0074 0.0100 -0.0132 1622 ARG 107 CA -0.0094 0.0099 -0.0131 1623 ARG 107 C -0.0112 0.0119 -0.0141 1624 ARG 107 O -0.0128 0.0122 -0.0143 1625 ARG 107 CB -0.0109 0.0076 -0.0120 1626 ARG 107 CG -0.0092 0.0056 -0.0110 1627 ARG 107 CD -0.0106 0.0033 -0.0099 1628 ARG 107 NE -0.0087 0.0014 -0.0089 1629 ARG 107 CZ -0.0065 0.0016 -0.0090 1630 ARG 107 NH1 -0.0066 0.0025 -0.0095 1631 ARG 107 NH2 -0.0043 0.0008 -0.0087 1632 ARG 107 H -0.0073 0.0088 -0.0126 1633 ARG 107 HA -0.0085 0.0099 -0.0132 1634 ARG 107 HB3 -0.0126 0.0077 -0.0120 1635 ARG 107 HB2 -0.0115 0.0074 -0.0119 1636 ARG 107 HG3 -0.0075 0.0056 -0.0110 1637 ARG 107 HG2 -0.0087 0.0057 -0.0111 1638 ARG 107 HD3 -0.0120 0.0030 -0.0097 1639 ARG 107 HD2 -0.0116 0.0033 -0.0099 1640 ARG 107 HE -0.0090 -0.0000 -0.0082 1641 ARG 107 HH12 -0.0050 0.0026 -0.0096 1642 ARG 107 HH11 -0.0083 0.0031 -0.0098 1643 ARG 107 HH22 -0.0027 0.0010 -0.0088 1644 ARG 107 HH21 -0.0042 0.0001 -0.0083 1645 ALA 108 N -0.0116 0.0145 -0.0138 1646 ALA 108 CA -0.0131 0.0169 -0.0142 1647 ALA 108 C -0.0133 0.0184 -0.0145 1648 ALA 108 O -0.0152 0.0198 -0.0147 1649 ALA 108 CB -0.0119 0.0185 -0.0147 1650 ALA 108 H -0.0100 0.0141 -0.0138 1651 ALA 108 HA -0.0151 0.0164 -0.0139 1652 ALA 108 HB1 -0.0131 0.0203 -0.0150 1653 ALA 108 HB2 -0.0119 0.0175 -0.0145 1654 ALA 108 HB3 -0.0099 0.0190 -0.0150 1655 TRP 109 N 0.0004 0.0149 -0.0113 1656 TRP 109 CA -0.0011 0.0153 -0.0105 1657 TRP 109 C -0.0021 0.0161 -0.0119 1658 TRP 109 O -0.0030 0.0167 -0.0129 1659 TRP 109 CB -0.0022 0.0154 -0.0091 1660 TRP 109 CG -0.0016 0.0147 -0.0074 1661 TRP 109 CD1 -0.0017 0.0143 -0.0058 1662 TRP 109 CD2 -0.0009 0.0143 -0.0070 1663 TRP 109 NE1 -0.0011 0.0137 -0.0044 1664 TRP 109 CE2 -0.0006 0.0137 -0.0051 1665 TRP 109 CE3 -0.0005 0.0144 -0.0080 1666 TRP 109 CZ2 0.0001 0.0131 -0.0043 1667 TRP 109 CZ3 0.0002 0.0139 -0.0072 1668 TRP 109 CH2 0.0005 0.0133 -0.0054 1669 TRP 109 H 0.0001 0.0151 -0.0116 1670 TRP 109 HA -0.0005 0.0148 -0.0097 1671 TRP 109 HB3 -0.0035 0.0159 -0.0088 1672 TRP 109 HB2 -0.0028 0.0158 -0.0099 1673 TRP 109 HD1 -0.0022 0.0145 -0.0057 1674 TRP 109 HE1 -0.0011 0.0133 -0.0031 1675 TRP 109 HE3 -0.0008 0.0149 -0.0095 1676 TRP 109 HZ2 0.0004 0.0126 -0.0029 1677 TRP 109 HZ3 0.0005 0.0140 -0.0081 1678 TRP 109 HH2 0.0010 0.0129 -0.0048 1679 VAL 110 N -0.0137 0.0168 -0.0098 1680 VAL 110 CA -0.0170 0.0103 -0.0069 1681 VAL 110 C -0.0109 0.0071 -0.0081 1682 VAL 110 O -0.0106 -0.0006 -0.0060 1683 VAL 110 CB -0.0258 0.0126 -0.0047 1684 VAL 110 CG1 -0.0320 0.0163 -0.0037 1685 VAL 110 CG2 -0.0256 0.0171 -0.0060 1686 VAL 110 H -0.0167 0.0227 -0.0105 1687 VAL 110 HA -0.0177 0.0048 -0.0052 1688 VAL 110 HB -0.0281 0.0064 -0.0022 1689 VAL 110 HG11 -0.0380 0.0178 -0.0021 1690 VAL 110 HG12 -0.0327 0.0118 -0.0022 1691 VAL 110 HG13 -0.0298 0.0222 -0.0061 1692 VAL 110 HG21 -0.0320 0.0186 -0.0044 1693 VAL 110 HG22 -0.0225 0.0230 -0.0087 1694 VAL 110 HG23 -0.0220 0.0131 -0.0061 1695 ALA 111 N -0.0040 0.0063 -0.0048 1696 ALA 111 CA -0.0022 0.0038 -0.0059 1697 ALA 111 C 0.0001 0.0009 -0.0076 1698 ALA 111 O 0.0007 -0.0024 -0.0077 1699 ALA 111 CB -0.0006 0.0063 -0.0076 1700 ALA 111 H -0.0039 0.0092 -0.0052 1701 ALA 111 HA -0.0038 0.0021 -0.0044 1702 ALA 111 HB1 0.0007 0.0043 -0.0084 1703 ALA 111 HB2 -0.0022 0.0082 -0.0064 1704 ALA 111 HB3 0.0010 0.0080 -0.0091 1705 TRP 112 N 0.0011 0.0052 -0.0107 1706 TRP 112 CA 0.0020 0.0041 -0.0110 1707 TRP 112 C 0.0013 0.0027 -0.0101 1708 TRP 112 O 0.0020 0.0014 -0.0102 1709 TRP 112 CB 0.0024 0.0049 -0.0116 1710 TRP 112 CG 0.0033 0.0038 -0.0120 1711 TRP 112 CD1 0.0047 0.0035 -0.0128 1712 TRP 112 CD2 0.0031 0.0028 -0.0114 1713 TRP 112 NE1 0.0052 0.0024 -0.0129 1714 TRP 112 CE2 0.0042 0.0020 -0.0120 1715 TRP 112 CE3 0.0019 0.0026 -0.0105 1716 TRP 112 CZ2 0.0043 0.0009 -0.0117 1717 TRP 112 CZ3 0.0020 0.0016 -0.0102 1718 TRP 112 CH2 0.0032 0.0007 -0.0108 1719 TRP 112 H 0.0007 0.0062 -0.0108 1720 TRP 112 HA 0.0028 0.0037 -0.0115 1721 TRP 112 HB3 0.0015 0.0053 -0.0111 1722 TRP 112 HB2 0.0028 0.0059 -0.0122 1723 TRP 112 HD1 0.0051 0.0041 -0.0134 1724 TRP 112 HE1 0.0062 0.0021 -0.0135 1725 TRP 112 HE3 0.0010 0.0032 -0.0100 1726 TRP 112 HZ2 0.0052 0.0003 -0.0122 1727 TRP 112 HZ3 0.0011 0.0014 -0.0095 1728 TRP 112 HH2 0.0032 -0.0001 -0.0106 1729 ARG 113 N 0.0005 0.0027 -0.0113 1730 ARG 113 CA -0.0015 -0.0018 -0.0073 1731 ARG 113 C 0.0006 -0.0034 -0.0067 1732 ARG 113 O 0.0023 -0.0077 -0.0040 1733 ARG 113 CB -0.0081 -0.0009 -0.0059 1734 ARG 113 CG -0.0109 0.0010 -0.0065 1735 ARG 113 CD -0.0174 0.0018 -0.0051 1736 ARG 113 NE -0.0202 0.0055 -0.0070 1737 ARG 113 CZ -0.0255 0.0076 -0.0070 1738 ARG 113 NH1 -0.0289 0.0064 -0.0050 1739 ARG 113 NH2 -0.0276 0.0110 -0.0089 1740 ARG 113 H -0.0023 0.0057 -0.0127 1741 ARG 113 HA 0.0001 -0.0045 -0.0057 1742 ARG 113 HB3 -0.0095 -0.0043 -0.0030 1743 ARG 113 HB2 -0.0097 0.0015 -0.0073 1744 ARG 113 HG3 -0.0095 0.0044 -0.0095 1745 ARG 113 HG2 -0.0095 -0.0015 -0.0050 1746 ARG 113 HD3 -0.0188 -0.0015 -0.0021 1747 ARG 113 HD2 -0.0186 0.0027 -0.0054 1748 ARG 113 HE -0.0177 0.0064 -0.0085 1749 ARG 113 HH12 -0.0330 0.0080 -0.0049 1750 ARG 113 HH11 -0.0273 0.0038 -0.0035 1751 ARG 113 HH22 -0.0318 0.0127 -0.0089 1752 ARG 113 HH21 -0.0251 0.0119 -0.0104 1753 ASN 114 N -0.0077 -0.0109 -0.0017 1754 ASN 114 CA -0.0080 -0.0160 0.0003 1755 ASN 114 C -0.0044 -0.0205 -0.0036 1756 ASN 114 O -0.0043 -0.0261 -0.0022 1757 ASN 114 CB -0.0099 -0.0135 0.0022 1758 ASN 114 CG -0.0136 -0.0090 0.0063 1759 ASN 114 OD1 -0.0154 -0.0077 0.0085 1760 ASN 114 ND2 -0.0147 -0.0061 0.0070 1761 ASN 114 H -0.0081 -0.0065 -0.0024 1762 ASN 114 HA -0.0099 -0.0186 0.0036 1763 ASN 114 HB3 -0.0102 -0.0175 0.0037 1764 ASN 114 HB2 -0.0080 -0.0114 -0.0011 1765 ASN 114 HD22 -0.0172 -0.0030 0.0096 1766 ASN 114 HD21 -0.0130 -0.0071 0.0049 1767 ARG 115 N -0.0024 -0.0150 -0.0067 1768 ARG 115 CA -0.0017 -0.0193 -0.0107 1769 ARG 115 C 0.0014 -0.0206 -0.0173 1770 ARG 115 O 0.0017 -0.0250 -0.0208 1771 ARG 115 CB -0.0009 -0.0161 -0.0104 1772 ARG 115 CG -0.0038 -0.0151 -0.0042 1773 ARG 115 CD -0.0066 -0.0213 -0.0029 1774 ARG 115 NE -0.0093 -0.0197 0.0031 1775 ARG 115 CZ -0.0120 -0.0242 0.0053 1776 ARG 115 NH1 -0.0119 -0.0298 0.0016 1777 ARG 115 NH2 -0.0146 -0.0231 0.0108 1778 ARG 115 H -0.0007 -0.0101 -0.0070 1779 ARG 115 HA -0.0042 -0.0239 -0.0090 1780 ARG 115 HB3 -0.0002 -0.0191 -0.0135 1781 ARG 115 HB2 0.0016 -0.0115 -0.0121 1782 ARG 115 HG3 -0.0026 -0.0111 -0.0039 1783 ARG 115 HG2 -0.0052 -0.0138 -0.0008 1784 ARG 115 HD3 -0.0079 -0.0251 -0.0028 1785 ARG 115 HD2 -0.0052 -0.0226 -0.0064 1786 ARG 115 HE -0.0090 -0.0152 0.0055 1787 ARG 115 HH12 -0.0139 -0.0335 0.0030 1788 ARG 115 HH11 -0.0098 -0.0304 -0.0026 1789 ARG 115 HH22 -0.0166 -0.0266 0.0125 1790 ARG 115 HH21 -0.0145 -0.0188 0.0134 1791 CYS 116 N -0.0002 -0.0114 -0.0121 1792 CYS 116 CA 0.0022 -0.0117 -0.0155 1793 CYS 116 C 0.0031 -0.0129 -0.0181 1794 CYS 116 O 0.0037 -0.0147 -0.0212 1795 CYS 116 CB 0.0053 -0.0087 -0.0152 1796 CYS 116 SG 0.0047 -0.0069 -0.0120 1797 CYS 116 H 0.0002 -0.0101 -0.0109 1798 CYS 116 HA 0.0013 -0.0133 -0.0165 1799 CYS 116 HB3 0.0070 -0.0091 -0.0177 1800 CYS 116 HB2 0.0065 -0.0072 -0.0146 1801 GLN 117 N 0.0005 -0.0108 -0.0184 1802 GLN 117 CA 0.0000 -0.0089 -0.0172 1803 GLN 117 C 0.0008 -0.0115 -0.0159 1804 GLN 117 O 0.0016 -0.0140 -0.0138 1805 GLN 117 CB -0.0004 -0.0063 -0.0139 1806 GLN 117 CG -0.0009 -0.0041 -0.0125 1807 GLN 117 CD -0.0015 -0.0010 -0.0098 1808 GLN 117 OE1 -0.0022 0.0019 -0.0096 1809 GLN 117 NE2 -0.0013 -0.0012 -0.0080 1810 GLN 117 H 0.0004 -0.0103 -0.0170 1811 GLN 117 HA -0.0005 -0.0073 -0.0196 1812 GLN 117 HB3 0.0001 -0.0078 -0.0117 1813 GLN 117 HB2 -0.0009 -0.0044 -0.0148 1814 GLN 117 HG3 -0.0013 -0.0029 -0.0148 1815 GLN 117 HG2 -0.0003 -0.0058 -0.0111 1816 GLN 117 HE22 -0.0017 0.0009 -0.0062 1817 GLN 117 HE21 -0.0008 -0.0034 -0.0082 1818 ASN 118 N -0.0062 0.0141 -0.0202 1819 ASN 118 CA -0.0051 0.0144 -0.0189 1820 ASN 118 C -0.0129 -0.0190 -0.0241 1821 ASN 118 O -0.0068 -0.0266 -0.0154 1822 ASN 118 CB 0.0171 0.0266 0.0073 1823 ASN 118 CG 0.0250 0.0617 0.0126 1824 ASN 118 OD1 0.0134 0.0842 -0.0050 1825 ASN 118 ND2 0.0449 0.0663 0.0368 1826 ASN 118 H -0.0150 0.0300 -0.0333 1827 ASN 118 HA -0.0157 0.0324 -0.0345 1828 ASN 118 HB3 0.0169 0.0261 0.0072 1829 ASN 118 HB2 0.0282 0.0091 0.0236 1830 ASN 118 HD22 0.0509 0.0892 0.0413 1831 ASN 118 HD21 0.0539 0.0469 0.0507 1832 ARG 119 N -0.0030 -0.0208 -0.0332 1833 ARG 119 CA -0.0051 -0.0289 -0.0352 1834 ARG 119 C -0.0066 -0.0291 -0.0442 1835 ARG 119 O -0.0057 -0.0233 -0.0478 1836 ARG 119 CB -0.0053 -0.0322 -0.0309 1837 ARG 119 CG -0.0044 -0.0340 -0.0222 1838 ARG 119 CD -0.0049 -0.0386 -0.0189 1839 ARG 119 NE -0.0034 -0.0377 -0.0102 1840 ARG 119 CZ -0.0041 -0.0438 -0.0051 1841 ARG 119 NH1 -0.0061 -0.0509 -0.0074 1842 ARG 119 NH2 -0.0026 -0.0423 0.0024 1843 ARG 119 H -0.0023 -0.0168 -0.0347 1844 ARG 119 HA -0.0058 -0.0325 -0.0338 1845 ARG 119 HB3 -0.0069 -0.0375 -0.0338 1846 ARG 119 HB2 -0.0045 -0.0282 -0.0318 1847 ARG 119 HG3 -0.0026 -0.0285 -0.0191 1848 ARG 119 HG2 -0.0050 -0.0373 -0.0212 1849 ARG 119 HD3 -0.0066 -0.0448 -0.0201 1850 ARG 119 HD2 -0.0048 -0.0364 -0.0215 1851 ARG 119 HE -0.0018 -0.0322 -0.0081 1852 ARG 119 HH12 -0.0065 -0.0555 -0.0034 1853 ARG 119 HH11 -0.0072 -0.0519 -0.0131 1854 ARG 119 HH22 -0.0030 -0.0468 0.0064 1855 ARG 119 HH21 -0.0010 -0.0367 0.0040 1856 ASP 120 N -0.0009 -0.0215 -0.0328 1857 ASP 120 CA 0.0028 -0.0195 -0.0188 1858 ASP 120 C 0.0032 -0.0176 -0.0192 1859 ASP 120 O 0.0043 -0.0081 -0.0260 1860 ASP 120 CB 0.0072 -0.0057 -0.0158 1861 ASP 120 CG 0.0111 -0.0033 -0.0009 1862 ASP 120 OD1 0.0105 -0.0106 0.0057 1863 ASP 120 OD2 0.0146 0.0061 0.0036 1864 ASP 120 H -0.0001 -0.0141 -0.0386 1865 ASP 120 HA 0.0021 -0.0275 -0.0117 1866 ASP 120 HB3 0.0081 0.0022 -0.0216 1867 ASP 120 HB2 0.0066 -0.0058 -0.0186 1868 VAL 121 N 0.0062 -0.0129 -0.0092 1869 VAL 121 CA 0.0063 -0.0126 -0.0088 1870 VAL 121 C 0.0068 -0.0123 -0.0078 1871 VAL 121 O 0.0070 -0.0121 -0.0073 1872 VAL 121 CB 0.0063 -0.0133 -0.0090 1873 VAL 121 CG1 0.0058 -0.0134 -0.0101 1874 VAL 121 CG2 0.0067 -0.0144 -0.0087 1875 VAL 121 H 0.0064 -0.0136 -0.0091 1876 VAL 121 HA 0.0060 -0.0119 -0.0091 1877 VAL 121 HB 0.0065 -0.0130 -0.0087 1878 VAL 121 HG11 0.0059 -0.0140 -0.0102 1879 VAL 121 HG12 0.0056 -0.0127 -0.0103 1880 VAL 121 HG13 0.0057 -0.0137 -0.0105 1881 VAL 121 HG21 0.0067 -0.0149 -0.0089 1882 VAL 121 HG22 0.0066 -0.0147 -0.0090 1883 VAL 121 HG23 0.0071 -0.0143 -0.0079 1884 ARG 122 N -0.0007 -0.0130 -0.0029 1885 ARG 122 CA -0.0041 -0.0129 0.0004 1886 ARG 122 C 0.0054 -0.0140 -0.0111 1887 ARG 122 O 0.0003 -0.0168 -0.0137 1888 ARG 122 CB -0.0020 -0.0056 0.0174 1889 ARG 122 CG 0.0133 0.0007 0.0194 1890 ARG 122 CD 0.0113 0.0055 0.0337 1891 ARG 122 NE 0.0134 0.0118 0.0480 1892 ARG 122 CZ 0.0086 0.0109 0.0499 1893 ARG 122 NH1 -0.0064 0.0050 0.0488 1894 ARG 122 NH2 0.0188 0.0157 0.0529 1895 ARG 122 H 0.0033 -0.0083 0.0055 1896 ARG 122 HA -0.0166 -0.0179 -0.0008 1897 ARG 122 HB3 -0.0026 -0.0032 0.0241 1898 ARG 122 HB2 -0.0120 -0.0071 0.0226 1899 ARG 122 HG3 0.0170 -0.0021 0.0089 1900 ARG 122 HG2 0.0226 0.0045 0.0206 1901 ARG 122 HD3 -0.0005 0.0018 0.0349 1902 ARG 122 HD2 0.0201 0.0081 0.0320 1903 ARG 122 HE 0.0186 0.0170 0.0564 1904 ARG 122 HH12 -0.0102 0.0042 0.0502 1905 ARG 122 HH11 -0.0141 0.0014 0.0465 1906 ARG 122 HH22 0.0152 0.0150 0.0543 1907 ARG 122 HH21 0.0302 0.0201 0.0537 1908 GLN 123 N 0.0060 -0.0130 -0.0033 1909 GLN 123 CA 0.0067 -0.0146 -0.0043 1910 GLN 123 C 0.0054 -0.0169 -0.0056 1911 GLN 123 O 0.0046 -0.0182 -0.0062 1912 GLN 123 CB 0.0097 -0.0147 -0.0048 1913 GLN 123 CG 0.0110 -0.0161 -0.0057 1914 GLN 123 CD 0.0139 -0.0159 -0.0059 1915 GLN 123 OE1 0.0152 -0.0151 -0.0056 1916 GLN 123 NE2 0.0151 -0.0168 -0.0066 1917 GLN 123 H 0.0076 -0.0122 -0.0030 1918 GLN 123 HA 0.0059 -0.0139 -0.0039 1919 GLN 123 HB3 0.0106 -0.0130 -0.0039 1920 GLN 123 HB2 0.0101 -0.0155 -0.0053 1921 GLN 123 HG3 0.0103 -0.0179 -0.0067 1922 GLN 123 HG2 0.0103 -0.0155 -0.0053 1923 GLN 123 HE22 0.0171 -0.0167 -0.0068 1924 GLN 123 HE21 0.0140 -0.0175 -0.0069 1925 TYR 124 N 0.0053 -0.0086 -0.0041 1926 TYR 124 CA 0.0055 -0.0098 -0.0034 1927 TYR 124 C 0.0048 -0.0103 -0.0024 1928 TYR 124 O 0.0046 -0.0111 -0.0016 1929 TYR 124 CB 0.0066 -0.0107 -0.0039 1930 TYR 124 CG 0.0073 -0.0104 -0.0049 1931 TYR 124 CD1 0.0073 -0.0105 -0.0048 1932 TYR 124 CD2 0.0079 -0.0099 -0.0059 1933 TYR 124 CE1 0.0079 -0.0102 -0.0057 1934 TYR 124 CE2 0.0085 -0.0095 -0.0068 1935 TYR 124 CZ 0.0085 -0.0097 -0.0066 1936 TYR 124 OH 0.0091 -0.0094 -0.0075 1937 TYR 124 H 0.0059 -0.0085 -0.0048 1938 TYR 124 HA 0.0053 -0.0098 -0.0032 1939 TYR 124 HB3 0.0067 -0.0116 -0.0034 1940 TYR 124 HB2 0.0069 -0.0108 -0.0042 1941 TYR 124 HD1 0.0068 -0.0109 -0.0040 1942 TYR 124 HD2 0.0079 -0.0097 -0.0060 1943 TYR 124 HE1 0.0080 -0.0104 -0.0056 1944 TYR 124 HE2 0.0090 -0.0092 -0.0075 1945 TYR 124 HH 0.0094 -0.0090 -0.0081 1946 VAL 125 N -0.0021 -0.0093 -0.0042 1947 VAL 125 CA -0.0036 -0.0085 -0.0076 1948 VAL 125 C -0.0068 -0.0106 -0.0110 1949 VAL 125 O -0.0084 -0.0102 -0.0140 1950 VAL 125 CB -0.0020 -0.0039 -0.0095 1951 VAL 125 CG1 0.0011 -0.0019 -0.0063 1952 VAL 125 CG2 -0.0017 -0.0018 -0.0112 1953 VAL 125 H -0.0018 -0.0082 -0.0048 1954 VAL 125 HA -0.0036 -0.0098 -0.0062 1955 VAL 125 HB -0.0033 -0.0035 -0.0121 1956 VAL 125 HG11 0.0022 0.0014 -0.0077 1957 VAL 125 HG12 0.0009 -0.0033 -0.0052 1958 VAL 125 HG13 0.0024 -0.0022 -0.0036 1959 VAL 125 HG21 -0.0006 0.0015 -0.0126 1960 VAL 125 HG22 -0.0005 -0.0022 -0.0087 1961 VAL 125 HG23 -0.0040 -0.0032 -0.0136 1962 GLN 126 N -0.0067 -0.0136 -0.0148 1963 GLN 126 CA -0.0136 -0.0192 -0.0242 1964 GLN 126 C -0.0189 -0.0284 -0.0285 1965 GLN 126 O -0.0180 -0.0362 -0.0218 1966 GLN 126 CB -0.0135 -0.0250 -0.0203 1967 GLN 126 CG -0.0127 -0.0365 -0.0114 1968 GLN 126 CD -0.0169 -0.0460 -0.0133 1969 GLN 126 OE1 -0.0140 -0.0484 -0.0063 1970 GLN 126 NE2 -0.0236 -0.0511 -0.0227 1971 GLN 126 H -0.0029 -0.0145 -0.0069 1972 GLN 126 HA -0.0149 -0.0119 -0.0314 1973 GLN 126 HB3 -0.0094 -0.0182 -0.0169 1974 GLN 126 HB2 -0.0182 -0.0272 -0.0278 1975 GLN 126 HG3 -0.0143 -0.0406 -0.0120 1976 GLN 126 HG2 -0.0073 -0.0341 -0.0029 1977 GLN 126 HE22 -0.0266 -0.0574 -0.0244 1978 GLN 126 HE21 -0.0257 -0.0487 -0.0283 1979 GLY 127 N -0.0482 -0.0297 -0.0407 1980 GLY 127 CA -0.0584 -0.0383 -0.0389 1981 GLY 127 C -0.0482 -0.0328 -0.0290 1982 GLY 127 O -0.0557 -0.0398 -0.0252 1983 GLY 127 H -0.0450 -0.0232 -0.0557 1984 GLY 127 HA3 -0.0691 -0.0492 -0.0296 1985 GLY 127 HA2 -0.0657 -0.0397 -0.0551 1986 CYS 128 N -0.0218 -0.0147 -0.0143 1987 CYS 128 CA -0.0166 -0.0131 -0.0088 1988 CYS 128 C -0.0126 -0.0104 -0.0133 1989 CYS 128 O -0.0090 -0.0094 -0.0084 1990 CYS 128 CB -0.0100 -0.0107 -0.0035 1991 CYS 128 SG -0.0137 -0.0136 0.0036 1992 CYS 128 H -0.0192 -0.0130 -0.0171 1993 CYS 128 HA -0.0204 -0.0157 -0.0039 1994 CYS 128 HB3 -0.0061 -0.0094 0.0005 1995 CYS 128 HB2 -0.0060 -0.0080 -0.0081 1996 GLY 129 N -0.0198 -0.0186 -0.0260 1997 GLY 129 CA -0.0126 -0.0167 -0.0305 1998 GLY 129 C -0.0033 -0.0133 -0.0317 1999 GLY 129 O 0.0037 -0.0105 -0.0319 2000 GLY 129 H -0.0240 -0.0212 -0.0302 2001 GLY 129 HA3 -0.0122 -0.0156 -0.0264 2002 GLY 129 HA2 -0.0145 -0.0191 -0.0375 2003 VAL 130 N -0.0102 -0.0038 -0.0160 2004 VAL 130 CA -0.0042 -0.0003 -0.0161 2005 VAL 130 C -0.0027 0.0013 -0.0219 2006 VAL 130 O 0.0023 0.0043 -0.0224 2007 VAL 130 CB -0.0017 0.0002 -0.0097 2008 VAL 130 CG1 -0.0019 -0.0007 -0.0038 2009 VAL 130 CG2 -0.0050 -0.0018 -0.0088 2010 VAL 130 OXT -0.0068 -0.0006 -0.0251 2011 VAL 130 H -0.0130 -0.0055 -0.0152 2012 VAL 130 HA -0.0019 0.0011 -0.0166 2013 VAL 130 HB 0.0028 0.0029 -0.0104 2014 VAL 130 HG11 -0.0002 -0.0003 0.0006 2015 VAL 130 HG12 0.0007 0.0009 -0.0046 2016 VAL 130 HG13 -0.0064 -0.0034 -0.0031 2017 VAL 130 HG21 -0.0033 -0.0014 -0.0043 2018 VAL 130 HG22 -0.0096 -0.0045 -0.0085 2019 VAL 130 HG23 -0.0044 -0.0009 -0.0131