1 LYS 1 N 0.0155 0.0244 0.0117 2 LYS 1 CA 0.0184 0.0200 0.0094 3 LYS 1 C 0.0160 0.0142 0.0109 4 LYS 1 O 0.0138 0.0133 0.0123 5 LYS 1 CB 0.0229 0.0202 0.0063 6 LYS 1 CG 0.0262 0.0156 0.0038 7 LYS 1 CD 0.0305 0.0166 0.0010 8 LYS 1 CE 0.0338 0.0117 -0.0015 9 LYS 1 NZ 0.0382 0.0131 -0.0045 10 LYS 1 H1 0.0170 0.0282 0.0108 11 LYS 1 H2 0.0123 0.0243 0.0138 12 LYS 1 H3 0.0150 0.0237 0.0120 13 LYS 1 HA 0.0191 0.0207 0.0090 14 LYS 1 HB3 0.0221 0.0209 0.0069 15 LYS 1 HB2 0.0248 0.0241 0.0052 16 LYS 1 HG3 0.0273 0.0151 0.0031 17 LYS 1 HG2 0.0245 0.0116 0.0049 18 LYS 1 HD3 0.0293 0.0172 0.0017 19 LYS 1 HD2 0.0322 0.0204 -0.0001 20 LYS 1 HE3 0.0344 0.0107 -0.0021 21 LYS 1 HE2 0.0322 0.0080 -0.0006 22 LYS 1 HZ1 0.0404 0.0099 -0.0062 23 LYS 1 HZ2 0.0396 0.0166 -0.0054 24 LYS 1 HZ3 0.0376 0.0136 -0.0041 25 VAL 2 N 0.0086 0.0117 0.0235 26 VAL 2 CA 0.0011 -0.0006 0.0172 27 VAL 2 C 0.0097 -0.0080 0.0065 28 VAL 2 O 0.0119 -0.0080 0.0053 29 VAL 2 CB -0.0130 -0.0043 0.0215 30 VAL 2 CG1 -0.0202 -0.0173 0.0145 31 VAL 2 CG2 -0.0213 0.0034 0.0324 32 VAL 2 H 0.0086 0.0153 0.0265 33 VAL 2 HA 0.0001 -0.0023 0.0163 34 VAL 2 HB -0.0122 -0.0030 0.0222 35 VAL 2 HG11 -0.0303 -0.0197 0.0178 36 VAL 2 HG12 -0.0144 -0.0227 0.0069 37 VAL 2 HG13 -0.0211 -0.0186 0.0139 38 VAL 2 HG21 -0.0315 0.0008 0.0355 39 VAL 2 HG22 -0.0220 0.0023 0.0318 40 VAL 2 HG23 -0.0163 0.0127 0.0374 41 PHE 3 N 0.0113 -0.0072 0.0015 42 PHE 3 CA 0.0113 -0.0076 -0.0018 43 PHE 3 C 0.0084 -0.0096 -0.0033 44 PHE 3 O 0.0072 -0.0103 -0.0028 45 PHE 3 CB 0.0136 -0.0065 -0.0041 46 PHE 3 CG 0.0165 -0.0046 -0.0038 47 PHE 3 CD1 0.0181 -0.0033 -0.0012 48 PHE 3 CD2 0.0177 -0.0041 -0.0061 49 PHE 3 CE1 0.0208 -0.0016 -0.0010 50 PHE 3 CE2 0.0204 -0.0025 -0.0058 51 PHE 3 CZ 0.0220 -0.0011 -0.0033 52 PHE 3 H 0.0123 -0.0065 0.0020 53 PHE 3 HA 0.0117 -0.0074 -0.0017 54 PHE 3 HB3 0.0130 -0.0072 -0.0066 55 PHE 3 HB2 0.0135 -0.0065 -0.0037 56 PHE 3 HD1 0.0172 -0.0036 0.0006 57 PHE 3 HD2 0.0166 -0.0051 -0.0081 58 PHE 3 HE1 0.0220 -0.0006 0.0011 59 PHE 3 HE2 0.0213 -0.0021 -0.0076 60 PHE 3 HZ 0.0242 0.0002 -0.0032 61 GLU 4 N 0.0092 -0.0116 0.0027 62 GLU 4 CA 0.0034 -0.0033 -0.0012 63 GLU 4 C 0.0062 0.0063 -0.0073 64 GLU 4 O 0.0087 0.0057 -0.0074 65 GLU 4 CB -0.0096 -0.0042 0.0012 66 GLU 4 CG -0.0129 -0.0133 0.0071 67 GLU 4 CD -0.0253 -0.0154 0.0102 68 GLU 4 OE1 -0.0326 -0.0095 0.0079 69 GLU 4 OE2 -0.0276 -0.0237 0.0155 70 GLU 4 H 0.0047 -0.0153 0.0056 71 GLU 4 HA 0.0065 -0.0031 -0.0019 72 GLU 4 HB3 -0.0139 0.0025 -0.0021 73 GLU 4 HB2 -0.0128 -0.0046 0.0019 74 GLU 4 HG3 -0.0075 -0.0198 0.0101 75 GLU 4 HG2 -0.0106 -0.0125 0.0063 76 ARG 5 N -0.0009 0.0062 -0.0033 77 ARG 5 CA -0.0017 0.0035 -0.0021 78 ARG 5 C 0.0006 0.0030 -0.0029 79 ARG 5 O -0.0005 0.0033 -0.0025 80 ARG 5 CB -0.0018 0.0002 -0.0010 81 ARG 5 CG -0.0026 -0.0028 0.0002 82 ARG 5 CD -0.0028 -0.0059 0.0013 83 ARG 5 NE 0.0004 -0.0072 0.0004 84 ARG 5 CZ 0.0025 -0.0096 0.0004 85 ARG 5 NH1 0.0019 -0.0108 0.0010 86 ARG 5 NH2 0.0053 -0.0108 -0.0004 87 ARG 5 H -0.0007 0.0055 -0.0032 88 ARG 5 HA -0.0042 0.0043 -0.0014 89 ARG 5 HB3 0.0005 -0.0004 -0.0018 90 ARG 5 HB2 -0.0036 0.0007 -0.0005 91 ARG 5 HG3 -0.0049 -0.0022 0.0010 92 ARG 5 HG2 -0.0006 -0.0034 -0.0004 93 ARG 5 HD3 -0.0044 -0.0051 0.0017 94 ARG 5 HD2 -0.0039 -0.0078 0.0023 95 ARG 5 HE 0.0010 -0.0063 -0.0001 96 ARG 5 HH12 0.0036 -0.0126 0.0009 97 ARG 5 HH11 -0.0002 -0.0100 0.0015 98 ARG 5 HH22 0.0069 -0.0126 -0.0005 99 ARG 5 HH21 0.0058 -0.0099 -0.0009 100 CYS 6 N -0.0066 0.0123 0.0033 101 CYS 6 CA -0.0065 0.0120 0.0036 102 CYS 6 C -0.0064 0.0115 0.0041 103 CYS 6 O -0.0062 0.0111 0.0043 104 CYS 6 CB -0.0068 0.0125 0.0040 105 CYS 6 SG -0.0070 0.0131 0.0035 106 CYS 6 H -0.0068 0.0127 0.0034 107 CYS 6 HA -0.0064 0.0119 0.0033 108 CYS 6 HB3 -0.0068 0.0123 0.0044 109 CYS 6 HB2 -0.0070 0.0127 0.0043 110 GLU 7 N 0.0083 0.0133 -0.0006 111 GLU 7 CA 0.0069 0.0122 -0.0014 112 GLU 7 C 0.0072 0.0131 -0.0009 113 GLU 7 O 0.0055 0.0135 -0.0010 114 GLU 7 CB 0.0078 0.0099 -0.0024 115 GLU 7 CG 0.0065 0.0085 -0.0033 116 GLU 7 CD 0.0077 0.0063 -0.0042 117 GLU 7 OE1 0.0098 0.0059 -0.0040 118 GLU 7 OE2 0.0065 0.0049 -0.0051 119 GLU 7 H 0.0096 0.0125 -0.0007 120 GLU 7 HA 0.0051 0.0124 -0.0017 121 GLU 7 HB3 0.0096 0.0097 -0.0021 122 GLU 7 HB2 0.0078 0.0093 -0.0027 123 GLU 7 HG3 0.0048 0.0084 -0.0037 124 GLU 7 HG2 0.0063 0.0092 -0.0030 125 LEU 8 N 0.0058 0.0033 -0.0018 126 LEU 8 CA 0.0060 0.0025 -0.0024 127 LEU 8 C 0.0059 0.0024 -0.0022 128 LEU 8 O 0.0060 0.0015 -0.0021 129 LEU 8 CB 0.0063 0.0028 -0.0036 130 LEU 8 CG 0.0066 0.0019 -0.0043 131 LEU 8 CD1 0.0066 0.0008 -0.0041 132 LEU 8 CD2 0.0069 0.0023 -0.0055 133 LEU 8 H 0.0058 0.0040 -0.0021 134 LEU 8 HA 0.0060 0.0017 -0.0023 135 LEU 8 HB3 0.0063 0.0035 -0.0038 136 LEU 8 HB2 0.0064 0.0029 -0.0038 137 LEU 8 HG 0.0065 0.0018 -0.0042 138 LEU 8 HD11 0.0068 0.0002 -0.0047 139 LEU 8 HD12 0.0064 0.0006 -0.0033 140 LEU 8 HD13 0.0066 0.0009 -0.0043 141 LEU 8 HD21 0.0071 0.0017 -0.0060 142 LEU 8 HD22 0.0069 0.0024 -0.0056 143 LEU 8 HD23 0.0069 0.0031 -0.0056 144 ALA 9 N -0.0059 0.0091 0.0009 145 ALA 9 CA -0.0058 0.0084 0.0012 146 ALA 9 C -0.0051 0.0094 -0.0003 147 ALA 9 O -0.0057 0.0100 -0.0000 148 ALA 9 CB -0.0050 0.0062 0.0016 149 ALA 9 H -0.0054 0.0081 0.0009 150 ALA 9 HA -0.0069 0.0087 0.0023 151 ALA 9 HB1 -0.0049 0.0057 0.0018 152 ALA 9 HB2 -0.0055 0.0055 0.0027 153 ALA 9 HB3 -0.0039 0.0058 0.0005 154 ARG 10 N -0.0054 0.0207 0.0105 155 ARG 10 CA -0.0041 0.0190 0.0133 156 ARG 10 C -0.0022 0.0164 0.0140 157 ARG 10 O -0.0006 0.0142 0.0148 158 ARG 10 CB -0.0052 0.0208 0.0166 159 ARG 10 CG -0.0068 0.0231 0.0164 160 ARG 10 CD -0.0077 0.0245 0.0200 161 ARG 10 NE -0.0088 0.0262 0.0210 162 ARG 10 CZ -0.0107 0.0288 0.0200 163 ARG 10 NH1 -0.0118 0.0302 0.0182 164 ARG 10 NH2 -0.0116 0.0301 0.0209 165 ARG 10 H -0.0067 0.0226 0.0110 166 ARG 10 HA -0.0037 0.0184 0.0125 167 ARG 10 HB3 -0.0041 0.0195 0.0187 168 ARG 10 HB2 -0.0059 0.0218 0.0172 169 ARG 10 HG3 -0.0081 0.0247 0.0146 170 ARG 10 HG2 -0.0062 0.0222 0.0157 171 ARG 10 HD3 -0.0086 0.0258 0.0201 172 ARG 10 HD2 -0.0064 0.0229 0.0219 173 ARG 10 HE -0.0081 0.0253 0.0226 174 ARG 10 HH12 -0.0132 0.0322 0.0174 175 ARG 10 HH11 -0.0112 0.0293 0.0175 176 ARG 10 HH22 -0.0131 0.0321 0.0202 177 ARG 10 HH21 -0.0108 0.0292 0.0224 178 THR 11 N -0.0008 0.0202 0.0030 179 THR 11 CA -0.0010 0.0178 0.0023 180 THR 11 C -0.0000 0.0198 0.0028 181 THR 11 O -0.0021 0.0195 0.0029 182 THR 11 CB 0.0018 0.0147 0.0011 183 THR 11 OG1 0.0006 0.0127 0.0006 184 THR 11 CG2 0.0018 0.0121 0.0003 185 THR 11 H 0.0012 0.0198 0.0027 186 THR 11 HA -0.0038 0.0167 0.0022 187 THR 11 HB 0.0046 0.0158 0.0012 188 THR 11 HG1 0.0015 0.0139 0.0009 189 THR 11 HG21 0.0038 0.0100 -0.0005 190 THR 11 HG22 0.0026 0.0136 0.0007 191 THR 11 HG23 -0.0010 0.0110 0.0002 192 LEU 12 N -0.0010 0.0123 -0.0023 193 LEU 12 CA -0.0005 0.0128 -0.0023 194 LEU 12 C -0.0007 0.0133 -0.0028 195 LEU 12 O -0.0004 0.0137 -0.0028 196 LEU 12 CB -0.0002 0.0129 -0.0022 197 LEU 12 CG 0.0001 0.0125 -0.0017 198 LEU 12 CD1 0.0003 0.0126 -0.0016 199 LEU 12 CD2 0.0005 0.0126 -0.0014 200 LEU 12 H -0.0011 0.0121 -0.0022 201 LEU 12 HA -0.0002 0.0128 -0.0021 202 LEU 12 HB3 0.0000 0.0133 -0.0023 203 LEU 12 HB2 -0.0006 0.0129 -0.0024 204 LEU 12 HG -0.0002 0.0121 -0.0016 205 LEU 12 HD11 0.0005 0.0123 -0.0013 206 LEU 12 HD12 -0.0001 0.0126 -0.0018 207 LEU 12 HD13 0.0005 0.0130 -0.0017 208 LEU 12 HD21 0.0007 0.0123 -0.0010 209 LEU 12 HD22 0.0008 0.0130 -0.0015 210 LEU 12 HD23 0.0003 0.0124 -0.0014 211 LYS 13 N -0.0100 0.0283 0.0042 212 LYS 13 CA -0.0031 0.0228 0.0008 213 LYS 13 C 0.0038 0.0303 -0.0017 214 LYS 13 O 0.0059 0.0293 -0.0027 215 LYS 13 CB 0.0022 0.0153 -0.0019 216 LYS 13 CG 0.0093 0.0090 -0.0054 217 LYS 13 CD 0.0104 -0.0016 -0.0065 218 LYS 13 CE 0.0161 -0.0083 -0.0094 219 LYS 13 NZ 0.0152 -0.0192 -0.0097 220 LYS 13 H -0.0102 0.0275 0.0042 221 LYS 13 HA -0.0068 0.0185 0.0022 222 LYS 13 HB3 0.0058 0.0195 -0.0032 223 LYS 13 HB2 -0.0029 0.0102 -0.0000 224 LYS 13 HG3 0.0071 0.0083 -0.0045 225 LYS 13 HG2 0.0162 0.0130 -0.0081 226 LYS 13 HD3 0.0141 -0.0010 -0.0081 227 LYS 13 HD2 0.0034 -0.0051 -0.0037 228 LYS 13 HE3 0.0131 -0.0077 -0.0081 229 LYS 13 HE2 0.0235 -0.0058 -0.0124 230 LYS 13 HZ1 0.0146 -0.0194 -0.0094 231 LYS 13 HZ2 0.0210 -0.0231 -0.0124 232 LYS 13 HZ3 0.0094 -0.0226 -0.0073 233 ARG 14 N -0.0036 0.0380 -0.0022 234 ARG 14 CA -0.0048 0.0325 0.0018 235 ARG 14 C 0.0056 0.0289 0.0022 236 ARG 14 O 0.0062 0.0274 0.0031 237 ARG 14 CB -0.0101 0.0244 0.0085 238 ARG 14 CG -0.0219 0.0265 0.0094 239 ARG 14 CD -0.0270 0.0179 0.0163 240 ARG 14 NE -0.0233 0.0119 0.0197 241 ARG 14 CZ -0.0273 0.0119 0.0205 242 ARG 14 NH1 -0.0355 0.0174 0.0183 243 ARG 14 NH2 -0.0225 0.0064 0.0233 244 ARG 14 H -0.0059 0.0359 -0.0003 245 ARG 14 HA -0.0097 0.0362 0.0003 246 ARG 14 HB3 -0.0081 0.0189 0.0118 247 ARG 14 HB2 -0.0071 0.0223 0.0093 248 ARG 14 HG3 -0.0241 0.0298 0.0075 249 ARG 14 HG2 -0.0246 0.0307 0.0070 250 ARG 14 HD3 -0.0355 0.0194 0.0170 251 ARG 14 HD2 -0.0254 0.0149 0.0181 252 ARG 14 HE -0.0172 0.0074 0.0216 253 ARG 14 HH12 -0.0385 0.0174 0.0189 254 ARG 14 HH11 -0.0388 0.0217 0.0161 255 ARG 14 HH22 -0.0252 0.0062 0.0240 256 ARG 14 HH21 -0.0160 0.0024 0.0248 257 LEU 15 N -0.0068 0.0233 0.0016 258 LEU 15 CA -0.0052 0.0212 0.0005 259 LEU 15 C -0.0043 0.0235 0.0005 260 LEU 15 O -0.0029 0.0220 -0.0004 261 LEU 15 CB -0.0022 0.0192 -0.0013 262 LEU 15 CG -0.0031 0.0160 -0.0015 263 LEU 15 CD1 0.0001 0.0147 -0.0032 264 LEU 15 CD2 -0.0049 0.0127 -0.0012 265 LEU 15 H -0.0052 0.0245 0.0011 266 LEU 15 HA -0.0071 0.0190 0.0010 267 LEU 15 HB3 -0.0006 0.0183 -0.0022 268 LEU 15 HB2 -0.0004 0.0213 -0.0017 269 LEU 15 HG -0.0048 0.0170 -0.0005 270 LEU 15 HD11 -0.0006 0.0124 -0.0033 271 LEU 15 HD12 0.0014 0.0170 -0.0034 272 LEU 15 HD13 0.0019 0.0138 -0.0042 273 LEU 15 HD21 -0.0055 0.0104 -0.0013 274 LEU 15 HD22 -0.0033 0.0117 -0.0021 275 LEU 15 HD23 -0.0073 0.0136 0.0001 276 GLY 16 N 0.0029 0.0246 -0.0035 277 GLY 16 CA 0.0038 0.0234 -0.0055 278 GLY 16 C 0.0009 0.0218 -0.0049 279 GLY 16 O 0.0015 0.0213 -0.0059 280 GLY 16 H 0.0024 0.0233 -0.0045 281 GLY 16 HA3 0.0060 0.0253 -0.0053 282 GLY 16 HA2 0.0050 0.0219 -0.0080 283 MET 17 N -0.0011 0.0144 -0.0019 284 MET 17 CA -0.0006 0.0146 -0.0020 285 MET 17 C -0.0006 0.0151 -0.0017 286 MET 17 O -0.0002 0.0153 -0.0017 287 MET 17 CB -0.0002 0.0144 -0.0022 288 MET 17 CG -0.0002 0.0139 -0.0025 289 MET 17 SD 0.0000 0.0138 -0.0026 290 MET 17 CE 0.0006 0.0137 -0.0028 291 MET 17 H -0.0012 0.0142 -0.0020 292 MET 17 HA -0.0006 0.0145 -0.0020 293 MET 17 HB3 0.0001 0.0146 -0.0022 294 MET 17 HB2 -0.0003 0.0144 -0.0022 295 MET 17 HG3 0.0000 0.0137 -0.0026 296 MET 17 HG2 -0.0006 0.0137 -0.0025 297 MET 17 HE1 0.0008 0.0137 -0.0029 298 MET 17 HE2 0.0006 0.0134 -0.0030 299 MET 17 HE3 0.0009 0.0140 -0.0027 300 ASP 18 N -0.0040 0.0084 -0.0032 301 ASP 18 CA -0.0048 0.0009 -0.0056 302 ASP 18 C -0.0036 -0.0005 -0.0071 303 ASP 18 O 0.0016 0.0008 -0.0102 304 ASP 18 CB -0.0012 -0.0025 -0.0095 305 ASP 18 CG -0.0030 -0.0103 -0.0114 306 ASP 18 OD1 -0.0082 -0.0135 -0.0089 307 ASP 18 OD2 0.0007 -0.0135 -0.0153 308 ASP 18 H -0.0005 0.0109 -0.0047 309 ASP 18 HA -0.0096 -0.0014 -0.0031 310 ASP 18 HB3 0.0036 -0.0009 -0.0123 311 ASP 18 HB2 -0.0017 -0.0005 -0.0084 312 GLY 19 N -0.0066 -0.0019 -0.0057 313 GLY 19 CA -0.0055 -0.0019 -0.0070 314 GLY 19 C -0.0044 0.0025 -0.0048 315 GLY 19 O -0.0031 0.0030 -0.0059 316 GLY 19 H -0.0094 -0.0033 -0.0036 317 GLY 19 HA3 -0.0032 -0.0027 -0.0103 318 GLY 19 HA2 -0.0078 -0.0047 -0.0065 319 TYR 20 N -0.0006 0.0060 -0.0009 320 TYR 20 CA 0.0012 0.0057 -0.0004 321 TYR 20 C 0.0014 0.0055 -0.0018 322 TYR 20 O 0.0000 0.0058 -0.0020 323 TYR 20 CB 0.0011 0.0060 0.0018 324 TYR 20 CG 0.0030 0.0057 0.0025 325 TYR 20 CD1 0.0045 0.0054 0.0033 326 TYR 20 CD2 0.0034 0.0055 0.0023 327 TYR 20 CE1 0.0064 0.0051 0.0039 328 TYR 20 CE2 0.0052 0.0052 0.0028 329 TYR 20 CZ 0.0067 0.0050 0.0036 330 TYR 20 OH 0.0085 0.0046 0.0042 331 TYR 20 H -0.0017 0.0064 0.0001 332 TYR 20 HA 0.0025 0.0054 -0.0005 333 TYR 20 HB3 -0.0001 0.0063 0.0018 334 TYR 20 HB2 0.0007 0.0062 0.0028 335 TYR 20 HD1 0.0043 0.0055 0.0034 336 TYR 20 HD2 0.0023 0.0057 0.0017 337 TYR 20 HE1 0.0075 0.0049 0.0046 338 TYR 20 HE2 0.0055 0.0051 0.0026 339 TYR 20 HH 0.0093 0.0045 0.0048 340 ARG 21 N 0.0050 -0.0038 0.0044 341 ARG 21 CA 0.0051 -0.0034 0.0055 342 ARG 21 C 0.0051 -0.0043 0.0058 343 ARG 21 O 0.0052 -0.0045 0.0069 344 ARG 21 CB 0.0052 -0.0031 0.0065 345 ARG 21 CG 0.0052 -0.0019 0.0063 346 ARG 21 CD 0.0052 -0.0008 0.0069 347 ARG 21 NE 0.0053 -0.0010 0.0083 348 ARG 21 CZ 0.0054 -0.0006 0.0090 349 ARG 21 NH1 0.0054 0.0003 0.0087 350 ARG 21 NH2 0.0055 -0.0012 0.0101 351 ARG 21 H 0.0050 -0.0032 0.0037 352 ARG 21 HA 0.0051 -0.0026 0.0052 353 ARG 21 HB3 0.0052 -0.0030 0.0074 354 ARG 21 HB2 0.0052 -0.0038 0.0067 355 ARG 21 HG3 0.0052 -0.0020 0.0066 356 ARG 21 HG2 0.0051 -0.0017 0.0053 357 ARG 21 HD3 0.0052 0.0000 0.0067 358 ARG 21 HD2 0.0052 -0.0008 0.0067 359 ARG 21 HE 0.0054 -0.0015 0.0086 360 ARG 21 HH12 0.0055 0.0006 0.0093 361 ARG 21 HH11 0.0053 0.0007 0.0079 362 ARG 21 HH22 0.0055 -0.0009 0.0107 363 ARG 21 HH21 0.0055 -0.0019 0.0104 364 GLY 22 N -0.0045 0.0047 0.0000 365 GLY 22 CA -0.0070 0.0023 -0.0018 366 GLY 22 C -0.0101 -0.0031 0.0009 367 GLY 22 O -0.0120 -0.0051 -0.0003 368 GLY 22 H -0.0052 0.0050 -0.0025 369 GLY 22 HA3 -0.0051 0.0045 -0.0012 370 GLY 22 HA2 -0.0085 0.0028 -0.0066 371 ILE 23 N -0.0087 0.0019 -0.0003 372 ILE 23 CA -0.0097 0.0004 0.0008 373 ILE 23 C -0.0116 -0.0006 0.0003 374 ILE 23 O -0.0119 -0.0010 0.0006 375 ILE 23 CB -0.0087 -0.0003 0.0029 376 ILE 23 CG1 -0.0067 0.0008 0.0035 377 ILE 23 CG2 -0.0098 -0.0018 0.0041 378 ILE 23 CD1 -0.0055 0.0003 0.0054 379 ILE 23 H -0.0082 0.0020 0.0001 380 ILE 23 HA -0.0098 0.0005 0.0005 381 ILE 23 HB -0.0087 -0.0004 0.0032 382 ILE 23 HG13 -0.0061 0.0019 0.0024 383 ILE 23 HG12 -0.0067 0.0007 0.0035 384 ILE 23 HG21 -0.0090 -0.0023 0.0056 385 ILE 23 HG22 -0.0111 -0.0025 0.0037 386 ILE 23 HG23 -0.0099 -0.0017 0.0038 387 ILE 23 HD11 -0.0041 0.0011 0.0058 388 ILE 23 HD12 -0.0055 0.0004 0.0054 389 ILE 23 HD13 -0.0061 -0.0008 0.0065 390 SER 24 N -0.0149 -0.0060 0.0025 391 SER 24 CA -0.0133 -0.0077 0.0002 392 SER 24 C -0.0128 -0.0080 -0.0010 393 SER 24 O -0.0134 -0.0078 0.0005 394 SER 24 CB -0.0122 -0.0106 0.0013 395 SER 24 OG -0.0122 -0.0120 0.0034 396 SER 24 H -0.0151 -0.0069 0.0046 397 SER 24 HA -0.0132 -0.0068 -0.0016 398 SER 24 HB3 -0.0126 -0.0105 0.0024 399 SER 24 HB2 -0.0111 -0.0118 -0.0005 400 SER 24 HG -0.0113 -0.0139 0.0037 401 LEU 25 N -0.0117 -0.0081 -0.0026 402 LEU 25 CA -0.0121 -0.0060 -0.0016 403 LEU 25 C -0.0151 -0.0068 -0.0006 404 LEU 25 O -0.0164 -0.0048 0.0009 405 LEU 25 CB -0.0095 -0.0059 -0.0027 406 LEU 25 CG -0.0092 -0.0036 -0.0019 407 LEU 25 CD1 -0.0091 -0.0005 -0.0007 408 LEU 25 CD2 -0.0065 -0.0038 -0.0032 409 LEU 25 H -0.0099 -0.0091 -0.0039 410 LEU 25 HA -0.0120 -0.0038 -0.0007 411 LEU 25 HB3 -0.0096 -0.0081 -0.0036 412 LEU 25 HB2 -0.0075 -0.0057 -0.0036 413 LEU 25 HG -0.0111 -0.0040 -0.0012 414 LEU 25 HD11 -0.0088 0.0011 -0.0002 415 LEU 25 HD12 -0.0111 -0.0003 0.0003 416 LEU 25 HD13 -0.0072 0.0000 -0.0014 417 LEU 25 HD21 -0.0063 -0.0021 -0.0026 418 LEU 25 HD22 -0.0046 -0.0035 -0.0040 419 LEU 25 HD23 -0.0068 -0.0060 -0.0040 420 ALA 26 N -0.0095 -0.0104 -0.0000 421 ALA 26 CA -0.0060 -0.0111 0.0004 422 ALA 26 C -0.0049 -0.0112 0.0007 423 ALA 26 O -0.0026 -0.0125 -0.0001 424 ALA 26 CB -0.0046 -0.0098 0.0028 425 ALA 26 H -0.0106 -0.0091 0.0013 426 ALA 26 HA -0.0052 -0.0126 -0.0014 427 ALA 26 HB1 -0.0020 -0.0104 0.0030 428 ALA 26 HB2 -0.0053 -0.0098 0.0025 429 ALA 26 HB3 -0.0053 -0.0083 0.0046 430 ASN 27 N -0.0070 -0.0087 0.0020 431 ASN 27 CA -0.0070 -0.0088 0.0017 432 ASN 27 C -0.0077 -0.0098 -0.0011 433 ASN 27 O -0.0065 -0.0103 -0.0021 434 ASN 27 CB -0.0089 -0.0080 0.0037 435 ASN 27 CG -0.0074 -0.0071 0.0063 436 ASN 27 OD1 -0.0055 -0.0072 0.0064 437 ASN 27 ND2 -0.0084 -0.0063 0.0083 438 ASN 27 H -0.0084 -0.0082 0.0031 439 ASN 27 HA -0.0049 -0.0088 0.0022 440 ASN 27 HB3 -0.0098 -0.0082 0.0029 441 ASN 27 HB2 -0.0107 -0.0078 0.0040 442 ASN 27 HD22 -0.0075 -0.0057 0.0101 443 ASN 27 HD21 -0.0100 -0.0063 0.0080 444 TRP 28 N -0.0069 -0.0027 -0.0017 445 TRP 28 CA -0.0067 -0.0036 -0.0010 446 TRP 28 C -0.0072 -0.0058 -0.0004 447 TRP 28 O -0.0066 -0.0068 0.0009 448 TRP 28 CB -0.0073 -0.0030 -0.0021 449 TRP 28 CG -0.0067 -0.0008 -0.0025 450 TRP 28 CD1 -0.0073 0.0006 -0.0040 451 TRP 28 CD2 -0.0054 0.0002 -0.0013 452 TRP 28 NE1 -0.0064 0.0023 -0.0039 453 TRP 28 CE2 -0.0052 0.0021 -0.0022 454 TRP 28 CE3 -0.0043 -0.0005 0.0004 455 TRP 28 CZ2 -0.0040 0.0034 -0.0014 456 TRP 28 CZ3 -0.0031 0.0008 0.0012 457 TRP 28 CH2 -0.0030 0.0028 0.0003 458 TRP 28 H -0.0076 -0.0019 -0.0030 459 TRP 28 HA -0.0055 -0.0030 0.0002 460 TRP 28 HB3 -0.0074 -0.0039 -0.0016 461 TRP 28 HB2 -0.0085 -0.0033 -0.0033 462 TRP 28 HD1 -0.0083 0.0002 -0.0051 463 TRP 28 HE1 -0.0067 0.0035 -0.0049 464 TRP 28 HE3 -0.0044 -0.0020 0.0011 465 TRP 28 HZ2 -0.0039 0.0050 -0.0021 466 TRP 28 HZ3 -0.0023 0.0003 0.0025 467 TRP 28 HH2 -0.0021 0.0037 0.0009 468 MET 29 N -0.0064 -0.0095 -0.0038 469 MET 29 CA -0.0054 -0.0084 -0.0044 470 MET 29 C -0.0048 -0.0078 -0.0056 471 MET 29 O -0.0044 -0.0075 -0.0069 472 MET 29 CB -0.0047 -0.0076 -0.0031 473 MET 29 CG -0.0051 -0.0079 -0.0021 474 MET 29 SD -0.0051 -0.0080 -0.0032 475 MET 29 CE -0.0037 -0.0064 -0.0035 476 MET 29 H -0.0065 -0.0095 -0.0026 477 MET 29 HA -0.0056 -0.0087 -0.0051 478 MET 29 HB3 -0.0039 -0.0067 -0.0036 479 MET 29 HB2 -0.0046 -0.0074 -0.0023 480 MET 29 HG3 -0.0047 -0.0073 -0.0010 481 MET 29 HG2 -0.0060 -0.0088 -0.0016 482 MET 29 HE1 -0.0035 -0.0063 -0.0042 483 MET 29 HE2 -0.0033 -0.0059 -0.0024 484 MET 29 HE3 -0.0033 -0.0061 -0.0042 485 CYS 30 N 0.0010 -0.0090 -0.0040 486 CYS 30 CA 0.0024 -0.0085 -0.0047 487 CYS 30 C 0.0008 -0.0092 -0.0074 488 CYS 30 O 0.0022 -0.0088 -0.0097 489 CYS 30 CB 0.0024 -0.0084 -0.0017 490 CYS 30 SG 0.0045 -0.0077 -0.0021 491 CYS 30 H 0.0000 -0.0092 -0.0018 492 CYS 30 HA 0.0048 -0.0077 -0.0055 493 CYS 30 HB3 0.0001 -0.0092 -0.0009 494 CYS 30 HB2 0.0034 -0.0080 0.0003 495 LEU 31 N -0.0021 -0.0091 -0.0078 496 LEU 31 CA -0.0019 -0.0086 -0.0071 497 LEU 31 C -0.0019 -0.0092 -0.0071 498 LEU 31 O -0.0018 -0.0095 -0.0064 499 LEU 31 CB -0.0019 -0.0075 -0.0073 500 LEU 31 CG -0.0018 -0.0069 -0.0067 501 LEU 31 CD1 -0.0015 -0.0068 -0.0056 502 LEU 31 CD2 -0.0019 -0.0059 -0.0072 503 LEU 31 H -0.0022 -0.0086 -0.0083 504 LEU 31 HA -0.0017 -0.0087 -0.0063 505 LEU 31 HB3 -0.0021 -0.0074 -0.0081 506 LEU 31 HB2 -0.0019 -0.0071 -0.0072 507 LEU 31 HG -0.0018 -0.0074 -0.0067 508 LEU 31 HD11 -0.0014 -0.0064 -0.0052 509 LEU 31 HD12 -0.0014 -0.0076 -0.0053 510 LEU 31 HD13 -0.0015 -0.0064 -0.0055 511 LEU 31 HD21 -0.0017 -0.0055 -0.0067 512 LEU 31 HD22 -0.0018 -0.0054 -0.0072 513 LEU 31 HD23 -0.0020 -0.0060 -0.0079 514 ALA 32 N -0.0025 -0.0110 -0.0113 515 ALA 32 CA -0.0025 -0.0106 -0.0109 516 ALA 32 C -0.0030 -0.0103 -0.0109 517 ALA 32 O -0.0033 -0.0099 -0.0106 518 ALA 32 CB -0.0021 -0.0105 -0.0106 519 ALA 32 H -0.0023 -0.0112 -0.0113 520 ALA 32 HA -0.0025 -0.0105 -0.0108 521 ALA 32 HB1 -0.0021 -0.0102 -0.0103 522 ALA 32 HB2 -0.0017 -0.0107 -0.0106 523 ALA 32 HB3 -0.0021 -0.0106 -0.0107 524 LYS 33 N -0.0072 -0.0129 -0.0134 525 LYS 33 CA -0.0047 -0.0053 -0.0162 526 LYS 33 C -0.0055 -0.0048 -0.0249 527 LYS 33 O -0.0047 -0.0011 -0.0292 528 LYS 33 CB -0.0026 -0.0010 -0.0118 529 LYS 33 CG 0.0003 0.0074 -0.0132 530 LYS 33 CD 0.0009 0.0106 -0.0191 531 LYS 33 CE 0.0035 0.0185 -0.0216 532 LYS 33 NZ 0.0057 0.0224 -0.0152 533 LYS 33 H -0.0073 -0.0147 -0.0092 534 LYS 33 HA -0.0036 -0.0028 -0.0151 535 LYS 33 HB3 -0.0034 -0.0026 -0.0138 536 LYS 33 HB2 -0.0024 -0.0024 -0.0056 537 LYS 33 HG3 0.0020 0.0101 -0.0078 538 LYS 33 HG2 0.0006 0.0084 -0.0147 539 LYS 33 HD3 -0.0010 0.0073 -0.0241 540 LYS 33 HD2 0.0010 0.0104 -0.0171 541 LYS 33 HE3 0.0029 0.0185 -0.0266 542 LYS 33 HE2 0.0044 0.0214 -0.0233 543 LYS 33 HZ1 0.0051 0.0208 -0.0148 544 LYS 33 HZ2 0.0058 0.0211 -0.0102 545 LYS 33 HZ3 0.0075 0.0278 -0.0163 546 TRP 34 N -0.0005 0.0014 -0.0143 547 TRP 34 CA -0.0028 0.0022 -0.0229 548 TRP 34 C -0.0067 -0.0013 -0.0294 549 TRP 34 O -0.0080 0.0012 -0.0373 550 TRP 34 CB -0.0041 -0.0005 -0.0225 551 TRP 34 CG 0.0003 0.0051 -0.0177 552 TRP 34 CD1 0.0021 0.0034 -0.0095 553 TRP 34 CD2 0.0036 0.0134 -0.0206 554 TRP 34 NE1 0.0062 0.0100 -0.0072 555 TRP 34 CE2 0.0072 0.0164 -0.0139 556 TRP 34 CE3 0.0037 0.0186 -0.0284 557 TRP 34 CZ2 0.0110 0.0242 -0.0145 558 TRP 34 CZ3 0.0075 0.0265 -0.0289 559 TRP 34 CH2 0.0111 0.0293 -0.0222 560 TRP 34 H -0.0011 -0.0030 -0.0095 561 TRP 34 HA -0.0002 0.0087 -0.0251 562 TRP 34 HB3 -0.0061 -0.0002 -0.0291 563 TRP 34 HB2 -0.0062 -0.0067 -0.0193 564 TRP 34 HD1 0.0003 -0.0026 -0.0058 565 TRP 34 HE1 0.0080 0.0098 -0.0013 566 TRP 34 HE3 0.0009 0.0164 -0.0336 567 TRP 34 HZ2 0.0137 0.0261 -0.0092 568 TRP 34 HZ3 0.0078 0.0308 -0.0347 569 TRP 34 HH2 0.0139 0.0355 -0.0231 570 GLU 35 N -0.0062 -0.0130 -0.0107 571 GLU 35 CA -0.0048 -0.0121 -0.0086 572 GLU 35 C -0.0055 -0.0134 -0.0070 573 GLU 35 O -0.0050 -0.0136 -0.0046 574 GLU 35 CB -0.0032 -0.0101 -0.0096 575 GLU 35 CG -0.0020 -0.0086 -0.0106 576 GLU 35 CD -0.0009 -0.0080 -0.0085 577 GLU 35 OE1 -0.0008 -0.0087 -0.0063 578 GLU 35 OE2 -0.0000 -0.0069 -0.0093 579 GLU 35 H -0.0062 -0.0125 -0.0125 580 GLU 35 HA -0.0042 -0.0119 -0.0074 581 GLU 35 HB3 -0.0023 -0.0097 -0.0081 582 GLU 35 HB2 -0.0037 -0.0103 -0.0111 583 GLU 35 HG3 -0.0010 -0.0073 -0.0116 584 GLU 35 HG2 -0.0028 -0.0090 -0.0121 585 SER 36 N -0.0091 -0.0157 -0.0071 586 SER 36 CA -0.0102 -0.0156 -0.0020 587 SER 36 C -0.0149 -0.0161 -0.0015 588 SER 36 O -0.0162 -0.0160 0.0028 589 SER 36 CB -0.0057 -0.0150 -0.0004 590 SER 36 OG -0.0056 -0.0151 -0.0033 591 SER 36 H -0.0096 -0.0159 -0.0101 592 SER 36 HA -0.0104 -0.0155 0.0006 593 SER 36 HB3 -0.0021 -0.0146 -0.0009 594 SER 36 HB2 -0.0061 -0.0149 0.0036 595 SER 36 HG -0.0030 -0.0150 -0.0059 596 GLY 37 N -0.0103 -0.0155 -0.0083 597 GLY 37 CA -0.0145 -0.0146 -0.0070 598 GLY 37 C -0.0130 -0.0149 -0.0041 599 GLY 37 O -0.0157 -0.0143 -0.0010 600 GLY 37 H -0.0094 -0.0158 -0.0118 601 GLY 37 HA3 -0.0170 -0.0141 -0.0049 602 GLY 37 HA2 -0.0163 -0.0143 -0.0103 603 TYR 38 N -0.0017 -0.0103 -0.0068 604 TYR 38 CA -0.0019 -0.0112 -0.0046 605 TYR 38 C -0.0017 -0.0123 -0.0032 606 TYR 38 O -0.0022 -0.0125 -0.0012 607 TYR 38 CB -0.0031 -0.0097 -0.0033 608 TYR 38 CG -0.0035 -0.0084 -0.0045 609 TYR 38 CD1 -0.0028 -0.0091 -0.0057 610 TYR 38 CD2 -0.0048 -0.0064 -0.0042 611 TYR 38 CE1 -0.0031 -0.0079 -0.0067 612 TYR 38 CE2 -0.0052 -0.0052 -0.0052 613 TYR 38 CZ -0.0044 -0.0059 -0.0064 614 TYR 38 OH -0.0047 -0.0047 -0.0074 615 TYR 38 H -0.0010 -0.0109 -0.0080 616 TYR 38 HA -0.0012 -0.0123 -0.0048 617 TYR 38 HB3 -0.0032 -0.0105 -0.0018 618 TYR 38 HB2 -0.0039 -0.0088 -0.0027 619 TYR 38 HD1 -0.0018 -0.0106 -0.0059 620 TYR 38 HD2 -0.0054 -0.0058 -0.0032 621 TYR 38 HE1 -0.0025 -0.0085 -0.0077 622 TYR 38 HE2 -0.0061 -0.0036 -0.0049 623 TYR 38 HH -0.0040 -0.0054 -0.0084 624 ASN 39 N -0.0051 -0.0134 0.0058 625 ASN 39 CA -0.0044 -0.0071 0.0132 626 ASN 39 C 0.0020 -0.0033 0.0152 627 ASN 39 O 0.0007 -0.0038 0.0151 628 ASN 39 CB -0.0136 -0.0063 0.0178 629 ASN 39 CG -0.0140 0.0001 0.0257 630 ASN 39 OD1 -0.0078 0.0042 0.0283 631 ASN 39 ND2 -0.0214 0.0009 0.0298 632 ASN 39 H -0.0079 -0.0153 0.0045 633 ASN 39 HA -0.0024 -0.0056 0.0142 634 ASN 39 HB3 -0.0159 -0.0082 0.0165 635 ASN 39 HB2 -0.0182 -0.0091 0.0163 636 ASN 39 HD22 -0.0222 0.0051 0.0352 637 ASN 39 HD21 -0.0263 -0.0026 0.0275 638 THR 40 N 0.0030 -0.0062 0.0072 639 THR 40 CA 0.0036 -0.0031 0.0074 640 THR 40 C 0.0005 0.0005 0.0094 641 THR 40 O 0.0001 0.0024 0.0099 642 THR 40 CB 0.0081 -0.0011 0.0058 643 THR 40 OG1 0.0090 0.0019 0.0059 644 THR 40 CG2 0.0113 -0.0044 0.0039 645 THR 40 H 0.0053 -0.0060 0.0062 646 THR 40 HA 0.0030 -0.0052 0.0073 647 THR 40 HB 0.0082 0.0009 0.0061 648 THR 40 HG1 0.0106 0.0045 0.0056 649 THR 40 HG21 0.0144 -0.0027 0.0028 650 THR 40 HG22 0.0108 -0.0067 0.0038 651 THR 40 HG23 0.0112 -0.0064 0.0036 652 ARG 41 N -0.0100 0.0070 0.0399 653 ARG 41 CA -0.0067 -0.0010 0.0219 654 ARG 41 C -0.0008 0.0032 -0.0010 655 ARG 41 O 0.0024 -0.0034 -0.0174 656 ARG 41 CB -0.0053 0.0139 0.0237 657 ARG 41 CG -0.0051 0.0019 0.0165 658 ARG 41 CD -0.0029 0.0183 0.0159 659 ARG 41 NE 0.0023 0.0179 -0.0063 660 ARG 41 CZ 0.0024 0.0011 -0.0152 661 ARG 41 NH1 -0.0022 -0.0123 -0.0027 662 ARG 41 NH2 0.0071 -0.0028 -0.0372 663 ARG 41 H -0.0093 0.0233 0.0452 664 ARG 41 HA -0.0093 -0.0189 0.0236 665 ARG 41 HB3 -0.0011 0.0292 0.0139 666 ARG 41 HB2 -0.0086 0.0204 0.0407 667 ARG 41 HG3 -0.0094 -0.0117 0.0280 668 ARG 41 HG2 -0.0021 -0.0060 0.0001 669 ARG 41 HD3 -0.0019 0.0355 0.0202 670 ARG 41 HD2 -0.0064 0.0133 0.0282 671 ARG 41 HE 0.0061 0.0322 -0.0149 672 ARG 41 HH12 -0.0020 -0.0251 -0.0099 673 ARG 41 HH11 -0.0058 -0.0096 0.0140 674 ARG 41 HH22 0.0072 -0.0157 -0.0440 675 ARG 41 HH21 0.0107 0.0073 -0.0471 676 ALA 42 N -0.0076 -0.0056 0.0224 677 ALA 42 CA -0.0096 -0.0063 0.0215 678 ALA 42 C -0.0080 -0.0059 0.0220 679 ALA 42 O -0.0052 -0.0060 0.0212 680 ALA 42 CB -0.0105 -0.0081 0.0184 681 ALA 42 H -0.0069 -0.0064 0.0208 682 ALA 42 HA -0.0119 -0.0058 0.0229 683 ALA 42 HB1 -0.0121 -0.0086 0.0179 684 ALA 42 HB2 -0.0118 -0.0084 0.0181 685 ALA 42 HB3 -0.0083 -0.0086 0.0170 686 THR 43 N -0.0071 -0.0084 0.0207 687 THR 43 CA -0.0069 -0.0079 0.0211 688 THR 43 C -0.0031 -0.0073 0.0225 689 THR 43 O -0.0006 -0.0086 0.0221 690 THR 43 CB -0.0075 -0.0104 0.0190 691 THR 43 OG1 -0.0049 -0.0127 0.0178 692 THR 43 CG2 -0.0111 -0.0111 0.0175 693 THR 43 H -0.0051 -0.0096 0.0202 694 THR 43 HA -0.0087 -0.0061 0.0221 695 THR 43 HB -0.0071 -0.0099 0.0194 696 THR 43 HG1 -0.0026 -0.0123 0.0187 697 THR 43 HG21 -0.0115 -0.0129 0.0160 698 THR 43 HG22 -0.0130 -0.0093 0.0184 699 THR 43 HG23 -0.0114 -0.0117 0.0170 700 ASN 44 N 0.0149 -0.0080 0.0044 701 ASN 44 CA 0.0268 -0.0064 0.0105 702 ASN 44 C 0.0161 -0.0065 0.0087 703 ASN 44 O 0.0015 -0.0034 0.0160 704 ASN 44 CB 0.0315 0.0001 0.0294 705 ASN 44 CG 0.0420 0.0026 0.0376 706 ASN 44 OD1 0.0560 -0.0003 0.0310 707 ASN 44 ND2 0.0356 0.0079 0.0520 708 ASN 44 H 0.0016 -0.0066 0.0070 709 ASN 44 HA 0.0390 -0.0095 0.0030 710 ASN 44 HB3 0.0192 0.0031 0.0364 711 ASN 44 HB2 0.0392 0.0002 0.0306 712 ASN 44 HD22 0.0422 0.0097 0.0580 713 ASN 44 HD21 0.0240 0.0101 0.0569 714 TYR 45 N -0.0081 0.0017 -0.0001 715 TYR 45 CA -0.0094 -0.0004 -0.0025 716 TYR 45 C -0.0071 0.0015 -0.0014 717 TYR 45 O -0.0031 0.0037 -0.0018 718 TYR 45 CB -0.0083 -0.0027 -0.0076 719 TYR 45 CG -0.0095 -0.0050 -0.0103 720 TYR 45 CD1 -0.0140 -0.0073 -0.0097 721 TYR 45 CD2 -0.0062 -0.0048 -0.0136 722 TYR 45 CE1 -0.0151 -0.0093 -0.0122 723 TYR 45 CE2 -0.0073 -0.0069 -0.0160 724 TYR 45 CZ -0.0117 -0.0092 -0.0154 725 TYR 45 OH -0.0129 -0.0113 -0.0179 726 TYR 45 H -0.0054 0.0023 -0.0018 727 TYR 45 HA -0.0131 -0.0019 -0.0013 728 TYR 45 HB3 -0.0047 -0.0012 -0.0088 729 TYR 45 HB2 -0.0099 -0.0040 -0.0082 730 TYR 45 HD1 -0.0167 -0.0075 -0.0073 731 TYR 45 HD2 -0.0027 -0.0030 -0.0141 732 TYR 45 HE1 -0.0185 -0.0111 -0.0116 733 TYR 45 HE2 -0.0048 -0.0068 -0.0185 734 TYR 45 HH -0.0158 -0.0121 -0.0164 735 ASN 46 N -0.0176 0.0050 -0.0046 736 ASN 46 CA -0.0194 0.0033 -0.0074 737 ASN 46 C -0.0218 0.0024 -0.0116 738 ASN 46 O -0.0228 -0.0010 -0.0121 739 ASN 46 CB -0.0194 -0.0013 -0.0053 740 ASN 46 CG -0.0170 -0.0006 -0.0011 741 ASN 46 OD1 -0.0163 0.0019 -0.0007 742 ASN 46 ND2 -0.0157 -0.0027 0.0024 743 ASN 46 H -0.0174 0.0026 -0.0032 744 ASN 46 HA -0.0192 0.0059 -0.0079 745 ASN 46 HB3 -0.0207 -0.0026 -0.0074 746 ASN 46 HB2 -0.0197 -0.0039 -0.0049 747 ASN 46 HD22 -0.0141 -0.0023 0.0053 748 ASN 46 HD21 -0.0162 -0.0046 0.0021 749 ALA 47 N -0.0241 -0.0024 -0.0032 750 ALA 47 CA -0.0068 -0.0153 -0.0077 751 ALA 47 C -0.0015 0.0047 0.0073 752 ALA 47 O -0.0000 -0.0018 0.0032 753 ALA 47 CB 0.0250 -0.0294 -0.0095 754 ALA 47 H -0.0136 -0.0045 -0.0020 755 ALA 47 HA -0.0201 -0.0301 -0.0212 756 ALA 47 HB1 0.0384 -0.0393 -0.0128 757 ALA 47 HB2 0.0208 -0.0443 -0.0207 758 ALA 47 HB3 0.0381 -0.0148 0.0038 759 GLY 48 N -0.0307 -0.0303 0.0030 760 GLY 48 CA 0.0160 0.0113 0.0007 761 GLY 48 C 0.0296 0.0309 -0.0035 762 GLY 48 O 0.0775 0.0405 0.0097 763 GLY 48 H -0.0639 -0.0239 -0.0123 764 GLY 48 HA3 0.0088 0.0439 -0.0172 765 GLY 48 HA2 0.0513 -0.0024 0.0201 766 ASP 49 N -0.0044 0.0117 -0.0187 767 ASP 49 CA 0.0008 0.0112 -0.0189 768 ASP 49 C 0.0014 0.0090 -0.0138 769 ASP 49 O 0.0055 0.0084 -0.0135 770 ASP 49 CB 0.0009 0.0135 -0.0242 771 ASP 49 CG -0.0033 0.0140 -0.0243 772 ASP 49 OD1 -0.0070 0.0127 -0.0205 773 ASP 49 OD2 -0.0026 0.0155 -0.0282 774 ASP 49 H -0.0085 0.0120 -0.0184 775 ASP 49 HA 0.0048 0.0109 -0.0191 776 ASP 49 HB3 0.0002 0.0150 -0.0277 777 ASP 49 HB2 0.0055 0.0134 -0.0251 778 ARG 50 N -0.0090 0.0005 -0.0125 779 ARG 50 CA -0.0075 0.0036 -0.0134 780 ARG 50 C -0.0053 0.0051 -0.0221 781 ARG 50 O -0.0031 0.0094 -0.0237 782 ARG 50 CB -0.0055 0.0108 -0.0074 783 ARG 50 CG -0.0080 0.0086 0.0016 784 ARG 50 CD -0.0060 0.0158 0.0075 785 ARG 50 NE -0.0068 0.0162 0.0131 786 ARG 50 CZ -0.0061 0.0207 0.0199 787 ARG 50 NH1 -0.0063 0.0222 0.0248 788 ARG 50 NH2 -0.0053 0.0234 0.0220 789 ARG 50 H -0.0117 -0.0051 -0.0109 790 ARG 50 HA -0.0097 -0.0007 -0.0114 791 ARG 50 HB3 -0.0038 0.0139 -0.0092 792 ARG 50 HB2 -0.0037 0.0147 -0.0078 793 ARG 50 HG3 -0.0098 0.0051 0.0033 794 ARG 50 HG2 -0.0096 0.0051 0.0021 795 ARG 50 HD3 -0.0067 0.0156 0.0111 796 ARG 50 HD2 -0.0031 0.0210 0.0040 797 ARG 50 HE -0.0081 0.0124 0.0113 798 ARG 50 HH12 -0.0057 0.0257 0.0300 799 ARG 50 HH11 -0.0071 0.0198 0.0232 800 ARG 50 HH22 -0.0047 0.0269 0.0272 801 ARG 50 HH21 -0.0053 0.0219 0.0184 802 SER 51 N -0.0047 0.0018 -0.0038 803 SER 51 CA -0.0048 0.0017 -0.0025 804 SER 51 C -0.0073 0.0031 -0.0012 805 SER 51 O -0.0090 0.0043 -0.0018 806 SER 51 CB -0.0042 0.0017 -0.0048 807 SER 51 OG -0.0061 0.0032 -0.0066 808 SER 51 H -0.0054 0.0026 -0.0056 809 SER 51 HA -0.0036 0.0006 -0.0009 810 SER 51 HB3 -0.0026 0.0008 -0.0060 811 SER 51 HB2 -0.0039 0.0013 -0.0039 812 SER 51 HG -0.0059 0.0033 -0.0080 813 THR 52 N -0.0081 -0.0032 0.0084 814 THR 52 CA -0.0088 -0.0020 0.0093 815 THR 52 C -0.0097 -0.0013 0.0105 816 THR 52 O -0.0100 -0.0023 0.0111 817 THR 52 CB -0.0092 -0.0031 0.0102 818 THR 52 OG1 -0.0084 -0.0038 0.0090 819 THR 52 CG2 -0.0100 -0.0021 0.0112 820 THR 52 H -0.0082 -0.0042 0.0089 821 THR 52 HA -0.0085 -0.0009 0.0086 822 THR 52 HB -0.0095 -0.0043 0.0109 823 THR 52 HG1 -0.0078 -0.0040 0.0081 824 THR 52 HG21 -0.0103 -0.0029 0.0118 825 THR 52 HG22 -0.0107 -0.0015 0.0121 826 THR 52 HG23 -0.0098 -0.0009 0.0105 827 ASP 53 N -0.0016 -0.0001 0.0184 828 ASP 53 CA -0.0027 0.0008 0.0190 829 ASP 53 C -0.0035 -0.0004 0.0175 830 ASP 53 O -0.0021 -0.0017 0.0166 831 ASP 53 CB -0.0011 0.0016 0.0204 832 ASP 53 CG -0.0002 0.0028 0.0219 833 ASP 53 OD1 -0.0016 0.0037 0.0225 834 ASP 53 OD2 0.0019 0.0027 0.0225 835 ASP 53 H -0.0000 -0.0007 0.0183 836 ASP 53 HA -0.0042 0.0017 0.0195 837 ASP 53 HB3 -0.0019 0.0023 0.0209 838 ASP 53 HB2 0.0003 0.0007 0.0199 839 TYR 54 N -0.0039 -0.0046 0.0133 840 TYR 54 CA -0.0045 -0.0051 0.0132 841 TYR 54 C -0.0052 -0.0050 0.0124 842 TYR 54 O -0.0052 -0.0043 0.0118 843 TYR 54 CB -0.0042 -0.0049 0.0133 844 TYR 54 CG -0.0035 -0.0051 0.0141 845 TYR 54 CD1 -0.0027 -0.0046 0.0144 846 TYR 54 CD2 -0.0037 -0.0058 0.0145 847 TYR 54 CE1 -0.0022 -0.0048 0.0151 848 TYR 54 CE2 -0.0031 -0.0061 0.0153 849 TYR 54 CZ -0.0024 -0.0056 0.0155 850 TYR 54 OH -0.0018 -0.0058 0.0163 851 TYR 54 H -0.0037 -0.0040 0.0129 852 TYR 54 HA -0.0047 -0.0057 0.0136 853 TYR 54 HB3 -0.0046 -0.0052 0.0131 854 TYR 54 HB2 -0.0039 -0.0042 0.0129 855 TYR 54 HD1 -0.0026 -0.0040 0.0140 856 TYR 54 HD2 -0.0043 -0.0062 0.0143 857 TYR 54 HE1 -0.0016 -0.0045 0.0153 858 TYR 54 HE2 -0.0033 -0.0067 0.0157 859 TYR 54 HH -0.0013 -0.0054 0.0164 860 GLY 55 N -0.0015 -0.0076 0.0102 861 GLY 55 CA -0.0017 -0.0083 0.0078 862 GLY 55 C -0.0027 -0.0097 0.0062 863 GLY 55 O -0.0036 -0.0107 0.0069 864 GLY 55 H -0.0022 -0.0082 0.0118 865 GLY 55 HA3 -0.0006 -0.0070 0.0068 866 GLY 55 HA2 -0.0023 -0.0089 0.0082 867 ILE 56 N 0.0035 -0.0053 -0.0010 868 ILE 56 CA 0.0032 -0.0079 -0.0024 869 ILE 56 C 0.0022 -0.0104 -0.0035 870 ILE 56 O 0.0006 -0.0126 -0.0042 871 ILE 56 CB 0.0062 -0.0083 -0.0034 872 ILE 56 CG1 0.0057 -0.0105 -0.0045 873 ILE 56 CG2 0.0088 -0.0087 -0.0044 874 ILE 56 CD1 0.0083 -0.0102 -0.0051 875 ILE 56 H 0.0056 -0.0042 -0.0010 876 ILE 56 HA 0.0014 -0.0078 -0.0018 877 ILE 56 HB 0.0069 -0.0063 -0.0025 878 ILE 56 HG13 0.0035 -0.0103 -0.0038 879 ILE 56 HG12 0.0055 -0.0125 -0.0056 880 ILE 56 HG21 0.0109 -0.0089 -0.0051 881 ILE 56 HG22 0.0093 -0.0069 -0.0035 882 ILE 56 HG23 0.0082 -0.0106 -0.0052 883 ILE 56 HD11 0.0078 -0.0119 -0.0059 884 ILE 56 HD12 0.0085 -0.0082 -0.0040 885 ILE 56 HD13 0.0105 -0.0105 -0.0058 886 PHE 57 N 0.0024 -0.0037 -0.0029 887 PHE 57 CA 0.0029 -0.0031 -0.0032 888 PHE 57 C 0.0035 -0.0028 -0.0014 889 PHE 57 O 0.0040 -0.0022 -0.0016 890 PHE 57 CB 0.0039 -0.0017 -0.0045 891 PHE 57 CG 0.0034 -0.0019 -0.0064 892 PHE 57 CD1 0.0025 -0.0027 -0.0076 893 PHE 57 CD2 0.0040 -0.0011 -0.0071 894 PHE 57 CE1 0.0020 -0.0028 -0.0093 895 PHE 57 CE2 0.0036 -0.0012 -0.0088 896 PHE 57 CZ 0.0026 -0.0021 -0.0099 897 PHE 57 H 0.0030 -0.0031 -0.0025 898 PHE 57 HA 0.0021 -0.0038 -0.0039 899 PHE 57 HB3 0.0043 -0.0012 -0.0047 900 PHE 57 HB2 0.0046 -0.0009 -0.0039 901 PHE 57 HD1 0.0020 -0.0033 -0.0071 902 PHE 57 HD2 0.0047 -0.0004 -0.0062 903 PHE 57 HE1 0.0013 -0.0036 -0.0102 904 PHE 57 HE2 0.0040 -0.0006 -0.0093 905 PHE 57 HZ 0.0022 -0.0022 -0.0113 906 GLN 58 N 0.0017 -0.0015 0.0054 907 GLN 58 CA 0.0026 -0.0013 0.0081 908 GLN 58 C 0.0053 0.0009 0.0078 909 GLN 58 O 0.0060 0.0014 0.0079 910 GLN 58 CB 0.0009 -0.0027 0.0083 911 GLN 58 CG -0.0016 -0.0050 0.0094 912 GLN 58 CD -0.0013 -0.0055 0.0128 913 GLN 58 OE1 -0.0012 -0.0058 0.0149 914 GLN 58 NE2 -0.0011 -0.0054 0.0133 915 GLN 58 H 0.0009 -0.0022 0.0059 916 GLN 58 HA 0.0027 -0.0017 0.0102 917 GLN 58 HB3 0.0018 -0.0023 0.0100 918 GLN 58 HB2 0.0006 -0.0025 0.0061 919 GLN 58 HG3 -0.0029 -0.0059 0.0090 920 GLN 58 HG2 -0.0024 -0.0053 0.0079 921 GLN 58 HE22 -0.0009 -0.0057 0.0156 922 GLN 58 HE21 -0.0011 -0.0050 0.0115 923 ILE 59 N 0.0033 -0.0012 0.0049 924 ILE 59 CA 0.0048 0.0014 0.0050 925 ILE 59 C 0.0056 0.0022 0.0079 926 ILE 59 O 0.0053 0.0015 0.0092 927 ILE 59 CB 0.0053 0.0028 0.0028 928 ILE 59 CG1 0.0046 0.0023 -0.0001 929 ILE 59 CG2 0.0068 0.0055 0.0033 930 ILE 59 CD1 0.0047 0.0031 -0.0024 931 ILE 59 H 0.0030 -0.0016 0.0041 932 ILE 59 HA 0.0049 0.0017 0.0046 933 ILE 59 HB 0.0049 0.0022 0.0030 934 ILE 59 HG13 0.0036 0.0004 -0.0001 935 ILE 59 HG12 0.0051 0.0033 -0.0003 936 ILE 59 HG21 0.0071 0.0065 0.0017 937 ILE 59 HG22 0.0072 0.0058 0.0053 938 ILE 59 HG23 0.0071 0.0062 0.0032 939 ILE 59 HD11 0.0043 0.0027 -0.0043 940 ILE 59 HD12 0.0042 0.0021 -0.0022 941 ILE 59 HD13 0.0058 0.0050 -0.0024 942 ASN 60 N 0.0064 0.0012 0.0084 943 ASN 60 CA 0.0064 0.0013 0.0087 944 ASN 60 C 0.0077 0.0011 0.0095 945 ASN 60 O 0.0088 0.0008 0.0092 946 ASN 60 CB 0.0062 0.0010 0.0074 947 ASN 60 CG 0.0060 0.0011 0.0076 948 ASN 60 OD1 0.0070 0.0008 0.0075 949 ASN 60 ND2 0.0049 0.0015 0.0080 950 ASN 60 H 0.0066 0.0009 0.0075 951 ASN 60 HA 0.0056 0.0016 0.0094 952 ASN 60 HB3 0.0070 0.0007 0.0068 953 ASN 60 HB2 0.0053 0.0011 0.0069 954 ASN 60 HD22 0.0048 0.0016 0.0082 955 ASN 60 HD21 0.0042 0.0017 0.0082 956 SER 61 N 0.0027 -0.0002 0.0045 957 SER 61 CA 0.0039 -0.0009 0.0053 958 SER 61 C 0.0045 -0.0021 0.0040 959 SER 61 O 0.0056 -0.0029 0.0046 960 SER 61 CB 0.0032 0.0004 0.0065 961 SER 61 OG 0.0020 0.0008 0.0052 962 SER 61 H 0.0016 0.0007 0.0042 963 SER 61 HA 0.0048 -0.0013 0.0063 964 SER 61 HB3 0.0027 0.0013 0.0074 965 SER 61 HB2 0.0041 -0.0001 0.0073 966 SER 61 HG 0.0021 0.0009 0.0055 967 ARG 62 N 0.0134 0.0036 -0.0011 968 ARG 62 CA 0.0132 0.0001 -0.0035 969 ARG 62 C 0.0140 -0.0033 -0.0014 970 ARG 62 O 0.0142 -0.0068 -0.0019 971 ARG 62 CB 0.0123 0.0009 -0.0073 972 ARG 62 CG 0.0120 -0.0029 -0.0098 973 ARG 62 CD 0.0110 -0.0018 -0.0139 974 ARG 62 NE 0.0105 -0.0015 -0.0158 975 ARG 62 CZ 0.0099 0.0019 -0.0170 976 ARG 62 NH1 0.0097 0.0050 -0.0166 977 ARG 62 NH2 0.0093 0.0023 -0.0192 978 ARG 62 H 0.0132 0.0058 -0.0013 979 ARG 62 HA 0.0131 -0.0008 -0.0043 980 ARG 62 HB3 0.0123 0.0020 -0.0066 981 ARG 62 HB2 0.0117 0.0031 -0.0089 982 ARG 62 HG3 0.0123 -0.0048 -0.0094 983 ARG 62 HG2 0.0124 -0.0045 -0.0089 984 ARG 62 HD3 0.0108 -0.0041 -0.0155 985 ARG 62 HD2 0.0107 0.0010 -0.0141 986 ARG 62 HE 0.0107 -0.0039 -0.0161 987 ARG 62 HH12 0.0092 0.0077 -0.0175 988 ARG 62 HH11 0.0100 0.0045 -0.0154 989 ARG 62 HH22 0.0089 0.0049 -0.0202 990 ARG 62 HH21 0.0094 -0.0002 -0.0200 991 TYR 63 N 0.0128 0.0011 0.0045 992 TYR 63 CA 0.0097 0.0030 0.0061 993 TYR 63 C 0.0089 0.0033 0.0022 994 TYR 63 O 0.0053 0.0054 0.0024 995 TYR 63 CB 0.0119 0.0018 0.0111 996 TYR 63 CG 0.0128 0.0014 0.0154 997 TYR 63 CD1 0.0091 0.0036 0.0180 998 TYR 63 CD2 0.0172 -0.0012 0.0165 999 TYR 63 CE1 0.0098 0.0033 0.0219 1000 TYR 63 CE2 0.0179 -0.0015 0.0204 1001 TYR 63 CZ 0.0142 0.0008 0.0230 1002 TYR 63 OH 0.0148 0.0006 0.0269 1003 TYR 63 H 0.0162 -0.0009 0.0043 1004 TYR 63 HA 0.0064 0.0049 0.0072 1005 TYR 63 HB3 0.0097 0.0031 0.0127 1006 TYR 63 HB2 0.0151 -0.0002 0.0101 1007 TYR 63 HD1 0.0057 0.0056 0.0171 1008 TYR 63 HD2 0.0201 -0.0029 0.0144 1009 TYR 63 HE1 0.0069 0.0051 0.0240 1010 TYR 63 HE2 0.0213 -0.0034 0.0213 1011 TYR 63 HH 0.0177 -0.0011 0.0286 1012 ARG 64 N 0.0079 0.0040 0.0023 1013 ARG 64 CA 0.0065 0.0040 0.0007 1014 ARG 64 C 0.0058 0.0030 -0.0003 1015 ARG 64 O 0.0047 0.0038 -0.0013 1016 ARG 64 CB 0.0064 0.0033 0.0004 1017 ARG 64 CG 0.0069 0.0043 0.0013 1018 ARG 64 CD 0.0082 0.0032 0.0024 1019 ARG 64 NE 0.0086 0.0043 0.0031 1020 ARG 64 CZ 0.0081 0.0043 0.0026 1021 ARG 64 NH1 0.0073 0.0032 0.0014 1022 ARG 64 NH2 0.0085 0.0054 0.0034 1023 ARG 64 H 0.0085 0.0028 0.0027 1024 ARG 64 HA 0.0060 0.0055 0.0006 1025 ARG 64 HB2 0.0069 0.0018 0.0006 1026 ARG 64 HB3 0.0054 0.0034 -0.0007 1027 ARG 64 HG2 0.0062 0.0046 0.0006 1028 ARG 64 HG3 0.0072 0.0056 0.0020 1029 ARG 64 HD2 0.0090 0.0028 0.0032 1030 ARG 64 HD3 0.0079 0.0019 0.0018 1031 ARG 64 HE 0.0092 0.0051 0.0041 1032 ARG 64 HH12 0.0069 0.0032 0.0010 1033 ARG 64 HH11 0.0070 0.0023 0.0008 1034 ARG 64 HH22 0.0082 0.0055 0.0031 1035 ARG 64 HH21 0.0092 0.0062 0.0044 1036 CYS 65 N 0.0067 0.0016 -0.0009 1037 CYS 65 CA 0.0064 0.0008 -0.0000 1038 CYS 65 C 0.0074 0.0002 0.0008 1039 CYS 65 O 0.0080 0.0003 0.0007 1040 CYS 65 CB 0.0051 0.0004 0.0002 1041 CYS 65 SG 0.0047 0.0001 0.0005 1042 CYS 65 H 0.0067 0.0016 -0.0009 1043 CYS 65 HA 0.0065 0.0009 -0.0002 1044 CYS 65 HB3 0.0044 0.0008 -0.0004 1045 CYS 65 HB2 0.0049 -0.0002 0.0008 1046 ASN 66 N 0.0018 -0.0032 0.0017 1047 ASN 66 CA 0.0048 -0.0059 0.0028 1048 ASN 66 C 0.0008 -0.0039 0.0080 1049 ASN 66 O -0.0014 -0.0038 0.0146 1050 ASN 66 CB 0.0107 -0.0115 0.0059 1051 ASN 66 CG 0.0140 -0.0145 0.0068 1052 ASN 66 OD1 0.0148 -0.0138 0.0018 1053 ASN 66 ND2 0.0162 -0.0180 0.0132 1054 ASN 66 H 0.0015 -0.0040 0.0059 1055 ASN 66 HA 0.0059 -0.0054 -0.0027 1056 ASN 66 HB3 0.0096 -0.0121 0.0114 1057 ASN 66 HB2 0.0135 -0.0129 0.0022 1058 ASN 66 HD22 0.0185 -0.0201 0.0143 1059 ASN 66 HD21 0.0156 -0.0184 0.0170 1060 ASP 67 N -0.0001 -0.0051 0.0084 1061 ASP 67 CA -0.0011 -0.0029 0.0095 1062 ASP 67 C -0.0015 -0.0021 0.0099 1063 ASP 67 O -0.0024 -0.0003 0.0108 1064 ASP 67 CB -0.0031 -0.0022 0.0090 1065 ASP 67 CG -0.0052 -0.0029 0.0074 1066 ASP 67 OD1 -0.0052 -0.0038 0.0067 1067 ASP 67 OD2 -0.0068 -0.0025 0.0069 1068 ASP 67 H -0.0010 -0.0060 0.0073 1069 ASP 67 HA 0.0002 -0.0023 0.0107 1070 ASP 67 HB3 -0.0026 -0.0027 0.0090 1071 ASP 67 HB2 -0.0035 -0.0006 0.0100 1072 GLY 68 N -0.0029 0.0083 -0.0111 1073 GLY 68 CA -0.0330 0.0216 -0.0322 1074 GLY 68 C -0.0379 0.0204 -0.0269 1075 GLY 68 O -0.0701 0.0290 -0.0348 1076 GLY 68 H -0.0125 0.0005 0.0134 1077 GLY 68 HA3 -0.0273 0.0325 -0.0628 1078 GLY 68 HA2 -0.0624 0.0241 -0.0257 1079 LYS 69 N -0.0087 -0.0024 0.0058 1080 LYS 69 CA -0.0054 -0.0040 0.0090 1081 LYS 69 C -0.0035 -0.0011 0.0098 1082 LYS 69 O -0.0010 -0.0024 0.0123 1083 LYS 69 CB -0.0064 -0.0093 0.0097 1084 LYS 69 CG -0.0094 -0.0104 0.0074 1085 LYS 69 CD -0.0098 -0.0155 0.0085 1086 LYS 69 CE -0.0116 -0.0161 0.0071 1087 LYS 69 NZ -0.0153 -0.0195 0.0049 1088 LYS 69 H -0.0110 -0.0027 0.0039 1089 LYS 69 HA -0.0033 -0.0038 0.0107 1090 LYS 69 HB3 -0.0073 -0.0114 0.0095 1091 LYS 69 HB2 -0.0038 -0.0106 0.0122 1092 LYS 69 HG3 -0.0087 -0.0080 0.0073 1093 LYS 69 HG2 -0.0121 -0.0098 0.0049 1094 LYS 69 HD3 -0.0115 -0.0178 0.0077 1095 LYS 69 HD2 -0.0070 -0.0165 0.0111 1096 LYS 69 HE3 -0.0097 -0.0175 0.0091 1097 LYS 69 HE2 -0.0121 -0.0127 0.0057 1098 LYS 69 HZ1 -0.0165 -0.0199 0.0040 1099 LYS 69 HZ2 -0.0148 -0.0227 0.0062 1100 LYS 69 HZ3 -0.0170 -0.0182 0.0031 1101 THR 70 N 0.0005 0.0031 -0.0037 1102 THR 70 CA 0.0003 0.0032 -0.0055 1103 THR 70 C 0.0015 0.0019 -0.0066 1104 THR 70 O 0.0024 0.0009 -0.0060 1105 THR 70 CB 0.0001 0.0035 -0.0054 1106 THR 70 OG1 -0.0010 0.0047 -0.0044 1107 THR 70 CG2 -0.0003 0.0038 -0.0073 1108 THR 70 H 0.0010 0.0027 -0.0028 1109 THR 70 HA -0.0004 0.0040 -0.0062 1110 THR 70 HB 0.0008 0.0027 -0.0048 1111 THR 70 HG1 -0.0008 0.0046 -0.0032 1112 THR 70 HG21 -0.0005 0.0040 -0.0072 1113 THR 70 HG22 0.0004 0.0029 -0.0082 1114 THR 70 HG23 -0.0011 0.0046 -0.0078 1115 PRO 71 N 0.0067 0.0107 -0.0152 1116 PRO 71 CA 0.0077 0.0100 -0.0160 1117 PRO 71 C 0.0091 0.0076 -0.0184 1118 PRO 71 O 0.0081 0.0063 -0.0197 1119 PRO 71 CB 0.0047 0.0099 -0.0160 1120 PRO 71 CG 0.0024 0.0113 -0.0146 1121 PRO 71 CD 0.0033 0.0111 -0.0147 1122 PRO 71 HA 0.0094 0.0111 -0.0149 1123 PRO 71 HB3 0.0052 0.0107 -0.0152 1124 PRO 71 HB2 0.0039 0.0082 -0.0177 1125 PRO 71 HG3 0.0026 0.0130 -0.0129 1126 PRO 71 HG2 0.0001 0.0105 -0.0153 1127 PRO 71 HD2 0.0021 0.0097 -0.0161 1128 PRO 71 HD3 0.0029 0.0128 -0.0131 1129 GLY 72 N -0.0306 0.0295 -0.0178 1130 GLY 72 CA -0.0235 0.0034 -0.0166 1131 GLY 72 C 0.0069 -0.0059 -0.0171 1132 GLY 72 O 0.0129 -0.0313 -0.0158 1133 GLY 72 H -0.0369 0.0454 -0.0185 1134 GLY 72 HA3 -0.0379 -0.0134 -0.0152 1135 GLY 72 HA2 -0.0275 0.0054 -0.0166 1136 ALA 73 N 0.0053 -0.0068 -0.0157 1137 ALA 73 CA 0.0053 -0.0058 -0.0114 1138 ALA 73 C 0.0048 -0.0093 -0.0089 1139 ALA 73 O 0.0045 -0.0128 -0.0096 1140 ALA 73 CB 0.0054 -0.0046 -0.0096 1141 ALA 73 H 0.0053 -0.0071 -0.0169 1142 ALA 73 HA 0.0056 -0.0032 -0.0111 1143 ALA 73 HB1 0.0054 -0.0038 -0.0064 1144 ALA 73 HB2 0.0058 -0.0019 -0.0112 1145 ALA 73 HB3 0.0051 -0.0071 -0.0099 1146 VAL 74 N -0.0026 -0.0042 -0.0099 1147 VAL 74 CA -0.0090 -0.0052 -0.0038 1148 VAL 74 C -0.0075 -0.0048 -0.0065 1149 VAL 74 O -0.0152 -0.0052 -0.0052 1150 VAL 74 CB -0.0068 -0.0066 0.0084 1151 VAL 74 CG1 -0.0122 -0.0077 0.0153 1152 VAL 74 CG2 -0.0105 -0.0071 0.0109 1153 VAL 74 H 0.0053 -0.0042 -0.0078 1154 VAL 74 HA -0.0175 -0.0053 -0.0053 1155 VAL 74 HB 0.0019 -0.0065 0.0098 1156 VAL 74 HG11 -0.0104 -0.0087 0.0237 1157 VAL 74 HG12 -0.0091 -0.0073 0.0132 1158 VAL 74 HG13 -0.0209 -0.0078 0.0139 1159 VAL 74 HG21 -0.0091 -0.0081 0.0194 1160 VAL 74 HG22 -0.0191 -0.0072 0.0090 1161 VAL 74 HG23 -0.0058 -0.0063 0.0060 1162 ASN 75 N 0.0129 -0.0023 -0.0085 1163 ASN 75 CA 0.0093 -0.0033 -0.0079 1164 ASN 75 C 0.0066 -0.0008 -0.0066 1165 ASN 75 O 0.0038 -0.0020 -0.0062 1166 ASN 75 CB 0.0082 -0.0072 -0.0085 1167 ASN 75 CG 0.0053 -0.0085 -0.0081 1168 ASN 75 OD1 0.0043 -0.0066 -0.0074 1169 ASN 75 ND2 0.0038 -0.0117 -0.0084 1170 ASN 75 H 0.0148 -0.0021 -0.0089 1171 ASN 75 HA 0.0095 -0.0030 -0.0078 1172 ASN 75 HB3 0.0073 -0.0075 -0.0083 1173 ASN 75 HB2 0.0104 -0.0088 -0.0094 1174 ASN 75 HD22 0.0018 -0.0126 -0.0082 1175 ASN 75 HD21 0.0046 -0.0132 -0.0090 1176 ALA 76 N -0.0015 0.0028 -0.0033 1177 ALA 76 CA -0.0027 0.0045 -0.0037 1178 ALA 76 C -0.0030 0.0035 -0.0074 1179 ALA 76 O -0.0045 0.0053 -0.0087 1180 ALA 76 CB -0.0016 0.0042 -0.0005 1181 ALA 76 H -0.0001 0.0013 -0.0014 1182 ALA 76 HA -0.0042 0.0071 -0.0036 1183 ALA 76 HB1 -0.0025 0.0055 -0.0009 1184 ALA 76 HB2 -0.0015 0.0053 0.0020 1185 ALA 76 HB3 -0.0000 0.0016 -0.0004 1186 CYS 77 N 0.0002 0.0113 -0.0063 1187 CYS 77 CA -0.0005 0.0112 -0.0062 1188 CYS 77 C -0.0018 0.0101 -0.0073 1189 CYS 77 O -0.0025 0.0099 -0.0073 1190 CYS 77 CB 0.0011 0.0113 -0.0065 1191 CYS 77 SG 0.0024 0.0127 -0.0049 1192 CYS 77 H 0.0014 0.0111 -0.0069 1193 CYS 77 HA -0.0011 0.0118 -0.0051 1194 CYS 77 HB3 0.0006 0.0111 -0.0067 1195 CYS 77 HB2 0.0019 0.0108 -0.0075 1196 HIS 78 N -0.0151 0.0110 -0.0081 1197 HIS 78 CA -0.0246 -0.0182 -0.0040 1198 HIS 78 C -0.0381 -0.0274 0.0029 1199 HIS 78 O -0.0587 -0.0387 0.0137 1200 HIS 78 CB -0.0391 -0.0229 0.0036 1201 HIS 78 CG -0.0234 -0.0180 -0.0047 1202 HIS 78 ND1 -0.0224 0.0071 -0.0044 1203 HIS 78 CD2 -0.0080 -0.0355 -0.0137 1204 HIS 78 CE1 -0.0069 0.0051 -0.0128 1205 HIS 78 NE2 0.0021 -0.0207 -0.0186 1206 HIS 78 H 0.0030 0.0150 -0.0178 1207 HIS 78 HA -0.0084 -0.0314 -0.0133 1208 HIS 78 HB3 -0.0466 -0.0444 0.0069 1209 HIS 78 HB2 -0.0549 -0.0088 0.0126 1210 HIS 78 HD1 -0.0327 0.0235 0.0018 1211 HIS 78 HD2 -0.0056 -0.0567 -0.0157 1212 HIS 78 HE1 -0.0036 0.0231 -0.0139 1213 LEU 79 N 0.0089 0.0098 -0.0101 1214 LEU 79 CA 0.0077 0.0071 -0.0106 1215 LEU 79 C 0.0090 0.0050 -0.0086 1216 LEU 79 O 0.0104 0.0052 -0.0071 1217 LEU 79 CB 0.0067 0.0067 -0.0115 1218 LEU 79 CG 0.0048 0.0066 -0.0136 1219 LEU 79 CD1 0.0041 0.0055 -0.0140 1220 LEU 79 CD2 0.0033 0.0056 -0.0149 1221 LEU 79 H 0.0102 0.0100 -0.0089 1222 LEU 79 HA 0.0067 0.0068 -0.0116 1223 LEU 79 HB3 0.0071 0.0049 -0.0106 1224 LEU 79 HB2 0.0076 0.0081 -0.0110 1225 LEU 79 HG 0.0047 0.0087 -0.0143 1226 LEU 79 HD11 0.0026 0.0054 -0.0156 1227 LEU 79 HD12 0.0049 0.0067 -0.0135 1228 LEU 79 HD13 0.0043 0.0034 -0.0131 1229 LEU 79 HD21 0.0019 0.0056 -0.0164 1230 LEU 79 HD22 0.0033 0.0035 -0.0142 1231 LEU 79 HD23 0.0036 0.0068 -0.0149 1232 SER 80 N 0.0156 0.0029 0.0029 1233 SER 80 CA 0.0104 0.0016 0.0098 1234 SER 80 C 0.0018 -0.0012 0.0065 1235 SER 80 O -0.0017 -0.0024 0.0019 1236 SER 80 CB 0.0100 0.0017 0.0172 1237 SER 80 OG 0.0042 0.0001 0.0234 1238 SER 80 H 0.0176 0.0036 0.0032 1239 SER 80 HA 0.0130 0.0024 0.0121 1240 SER 80 HB3 0.0083 0.0011 0.0147 1241 SER 80 HB2 0.0160 0.0036 0.0202 1242 SER 80 HG 0.0059 0.0007 0.0260 1243 CYS 81 N 0.0045 -0.0009 0.0112 1244 CYS 81 CA 0.0006 -0.0028 0.0100 1245 CYS 81 C -0.0025 -0.0046 0.0110 1246 CYS 81 O -0.0058 -0.0060 0.0092 1247 CYS 81 CB -0.0000 -0.0035 0.0123 1248 CYS 81 SG 0.0032 -0.0015 0.0108 1249 CYS 81 H 0.0064 -0.0002 0.0133 1250 CYS 81 HA 0.0004 -0.0023 0.0066 1251 CYS 81 HB3 -0.0030 -0.0049 0.0116 1252 CYS 81 HB2 0.0003 -0.0039 0.0158 1253 SER 82 N -0.0001 -0.0047 0.0165 1254 SER 82 CA -0.0064 -0.0087 0.0184 1255 SER 82 C -0.0074 -0.0102 0.0059 1256 SER 82 O -0.0157 -0.0157 0.0044 1257 SER 82 CB -0.0020 -0.0050 0.0296 1258 SER 82 OG 0.0080 0.0013 0.0259 1259 SER 82 H 0.0067 0.0001 0.0218 1260 SER 82 HA -0.0148 -0.0139 0.0215 1261 SER 82 HB3 -0.0010 -0.0037 0.0382 1262 SER 82 HB2 -0.0080 -0.0087 0.0324 1263 SER 82 HG 0.0137 0.0049 0.0256 1264 ALA 83 N -0.0028 -0.0071 -0.0042 1265 ALA 83 CA -0.0050 -0.0069 -0.0114 1266 ALA 83 C -0.0076 -0.0108 -0.0134 1267 ALA 83 O -0.0102 -0.0123 -0.0190 1268 ALA 83 CB -0.0027 -0.0002 -0.0146 1269 ALA 83 H -0.0002 -0.0032 -0.0021 1270 ALA 83 HA -0.0065 -0.0088 -0.0132 1271 ALA 83 HB1 -0.0043 -0.0000 -0.0200 1272 ALA 83 HB2 -0.0009 0.0025 -0.0134 1273 ALA 83 HB3 -0.0011 0.0018 -0.0128 1274 LEU 84 N -0.0023 -0.0054 -0.0031 1275 LEU 84 CA -0.0036 -0.0069 -0.0040 1276 LEU 84 C -0.0055 -0.0110 -0.0027 1277 LEU 84 O -0.0067 -0.0128 -0.0031 1278 LEU 84 CB -0.0018 -0.0053 -0.0022 1279 LEU 84 CG 0.0001 -0.0012 -0.0034 1280 LEU 84 CD1 0.0018 0.0003 -0.0013 1281 LEU 84 CD2 -0.0010 0.0002 -0.0076 1282 LEU 84 H -0.0008 -0.0047 -0.0005 1283 LEU 84 HA -0.0046 -0.0063 -0.0072 1284 LEU 84 HB3 -0.0029 -0.0065 -0.0029 1285 LEU 84 HB2 -0.0009 -0.0060 0.0009 1286 LEU 84 HG 0.0011 -0.0000 -0.0025 1287 LEU 84 HD11 0.0032 0.0032 -0.0022 1288 LEU 84 HD12 0.0028 -0.0004 0.0018 1289 LEU 84 HD13 0.0009 -0.0009 -0.0019 1290 LEU 84 HD21 0.0004 0.0031 -0.0083 1291 LEU 84 HD22 -0.0022 -0.0010 -0.0087 1292 LEU 84 HD23 -0.0021 -0.0006 -0.0090 1293 LEU 85 N -0.0127 -0.0096 0.0027 1294 LEU 85 CA -0.0136 -0.0132 0.0032 1295 LEU 85 C -0.0137 -0.0142 -0.0004 1296 LEU 85 O -0.0144 -0.0168 -0.0002 1297 LEU 85 CB -0.0136 -0.0130 0.0071 1298 LEU 85 CG -0.0136 -0.0124 0.0110 1299 LEU 85 CD1 -0.0135 -0.0118 0.0146 1300 LEU 85 CD2 -0.0144 -0.0158 0.0118 1301 LEU 85 H -0.0121 -0.0070 0.0027 1302 LEU 85 HA -0.0142 -0.0156 0.0036 1303 LEU 85 HB3 -0.0143 -0.0156 0.0074 1304 LEU 85 HB2 -0.0130 -0.0106 0.0069 1305 LEU 85 HG -0.0130 -0.0098 0.0107 1306 LEU 85 HD11 -0.0135 -0.0115 0.0173 1307 LEU 85 HD12 -0.0129 -0.0092 0.0141 1308 LEU 85 HD13 -0.0141 -0.0143 0.0149 1309 LEU 85 HD21 -0.0144 -0.0153 0.0146 1310 LEU 85 HD22 -0.0151 -0.0185 0.0120 1311 LEU 85 HD23 -0.0144 -0.0161 0.0093 1312 GLN 86 N -0.0019 -0.0149 -0.0299 1313 GLN 86 CA -0.0047 -0.0160 -0.0309 1314 GLN 86 C -0.0010 -0.0130 -0.0270 1315 GLN 86 O 0.0018 -0.0096 -0.0222 1316 GLN 86 CB -0.0130 -0.0160 -0.0288 1317 GLN 86 CG -0.0177 -0.0193 -0.0329 1318 GLN 86 CD -0.0258 -0.0187 -0.0301 1319 GLN 86 OE1 -0.0296 -0.0205 -0.0320 1320 GLN 86 NE2 -0.0280 -0.0165 -0.0260 1321 GLN 86 H -0.0050 -0.0136 -0.0270 1322 GLN 86 HA -0.0038 -0.0191 -0.0359 1323 GLN 86 HB3 -0.0148 -0.0162 -0.0287 1324 GLN 86 HB2 -0.0138 -0.0130 -0.0240 1325 GLN 86 HG3 -0.0159 -0.0190 -0.0330 1326 GLN 86 HG2 -0.0173 -0.0222 -0.0377 1327 GLN 86 HE22 -0.0333 -0.0161 -0.0242 1328 GLN 86 HE21 -0.0246 -0.0150 -0.0245 1329 ASP 87 N 0.0028 0.0226 -0.0254 1330 ASP 87 CA 0.0217 0.0208 -0.0143 1331 ASP 87 C 0.0315 -0.0032 0.0007 1332 ASP 87 O 0.0387 -0.0139 0.0090 1333 ASP 87 CB 0.0416 0.0430 -0.0126 1334 ASP 87 CG 0.0376 0.0666 -0.0244 1335 ASP 87 OD1 0.0192 0.0670 -0.0345 1336 ASP 87 OD2 0.0532 0.0853 -0.0235 1337 ASP 87 H 0.0056 0.0350 -0.0289 1338 ASP 87 HA 0.0145 0.0204 -0.0181 1339 ASP 87 HB3 0.0578 0.0382 -0.0018 1340 ASP 87 HB2 0.0457 0.0464 -0.0117 1341 ASN 88 N 0.0076 -0.0005 -0.0197 1342 ASN 88 CA -0.0002 -0.0027 -0.0064 1343 ASN 88 C 0.0035 -0.0044 -0.0145 1344 ASN 88 O 0.0058 -0.0155 -0.0267 1345 ASN 88 CB -0.0100 -0.0205 -0.0001 1346 ASN 88 CG -0.0187 -0.0226 0.0151 1347 ASN 88 OD1 -0.0190 -0.0249 0.0140 1348 ASN 88 ND2 -0.0258 -0.0211 0.0297 1349 ASN 88 H 0.0064 -0.0115 -0.0251 1350 ASN 88 HA -0.0015 0.0086 0.0040 1351 ASN 88 HB3 -0.0088 -0.0317 -0.0102 1352 ASN 88 HB2 -0.0118 -0.0205 0.0033 1353 ASN 88 HD22 -0.0319 -0.0223 0.0405 1354 ASN 88 HD21 -0.0251 -0.0187 0.0299 1355 ILE 89 N 0.0054 -0.0040 -0.0140 1356 ILE 89 CA 0.0066 -0.0021 -0.0121 1357 ILE 89 C 0.0038 -0.0003 -0.0109 1358 ILE 89 O 0.0045 0.0016 -0.0090 1359 ILE 89 CB 0.0093 -0.0005 -0.0103 1360 ILE 89 CG1 0.0077 0.0011 -0.0090 1361 ILE 89 CG2 0.0124 -0.0024 -0.0115 1362 ILE 89 CD1 0.0102 0.0029 -0.0070 1363 ILE 89 H 0.0047 -0.0035 -0.0137 1364 ILE 89 HA 0.0080 -0.0031 -0.0128 1365 ILE 89 HB 0.0103 0.0007 -0.0089 1366 ILE 89 HG13 0.0055 0.0023 -0.0082 1367 ILE 89 HG12 0.0068 -0.0001 -0.0102 1368 ILE 89 HG21 0.0143 -0.0013 -0.0103 1369 ILE 89 HG22 0.0136 -0.0034 -0.0123 1370 ILE 89 HG23 0.0115 -0.0038 -0.0130 1371 ILE 89 HD11 0.0089 0.0040 -0.0061 1372 ILE 89 HD12 0.0111 0.0041 -0.0057 1373 ILE 89 HD13 0.0125 0.0017 -0.0077 1374 ALA 90 N -0.0006 -0.0050 -0.0257 1375 ALA 90 CA -0.0058 -0.0010 -0.0237 1376 ALA 90 C -0.0029 -0.0003 -0.0230 1377 ALA 90 O -0.0034 0.0051 -0.0199 1378 ALA 90 CB -0.0137 -0.0039 -0.0260 1379 ALA 90 H -0.0025 -0.0090 -0.0282 1380 ALA 90 HA -0.0064 0.0038 -0.0209 1381 ALA 90 HB1 -0.0175 -0.0008 -0.0244 1382 ALA 90 HB2 -0.0160 -0.0041 -0.0263 1383 ALA 90 HB3 -0.0133 -0.0088 -0.0289 1384 ASP 91 N -0.0083 -0.0063 -0.0352 1385 ASP 91 CA -0.0075 -0.0025 -0.0306 1386 ASP 91 C -0.0009 -0.0012 -0.0226 1387 ASP 91 O -0.0015 0.0048 -0.0171 1388 ASP 91 CB -0.0070 -0.0065 -0.0341 1389 ASP 91 CG -0.0143 -0.0059 -0.0410 1390 ASP 91 OD1 -0.0204 -0.0005 -0.0417 1391 ASP 91 OD2 -0.0138 -0.0109 -0.0455 1392 ASP 91 H -0.0072 -0.0116 -0.0395 1393 ASP 91 HA -0.0125 0.0030 -0.0301 1394 ASP 91 HB3 -0.0051 -0.0043 -0.0300 1395 ASP 91 HB2 -0.0027 -0.0124 -0.0357 1396 ALA 92 N 0.0009 0.0006 -0.0161 1397 ALA 92 CA 0.0032 0.0011 -0.0135 1398 ALA 92 C 0.0024 0.0045 -0.0133 1399 ALA 92 O 0.0040 0.0067 -0.0109 1400 ALA 92 CB 0.0045 -0.0026 -0.0133 1401 ALA 92 H 0.0002 -0.0019 -0.0175 1402 ALA 92 HA 0.0049 0.0017 -0.0116 1403 ALA 92 HB1 0.0062 -0.0022 -0.0113 1404 ALA 92 HB2 0.0052 -0.0049 -0.0133 1405 ALA 92 HB3 0.0029 -0.0034 -0.0152 1406 VAL 93 N 0.0072 0.0084 -0.0123 1407 VAL 93 CA 0.0059 0.0112 -0.0101 1408 VAL 93 C 0.0039 0.0117 -0.0095 1409 VAL 93 O 0.0045 0.0140 -0.0078 1410 VAL 93 CB 0.0037 0.0115 -0.0096 1411 VAL 93 CG1 0.0016 0.0140 -0.0075 1412 VAL 93 CG2 0.0061 0.0118 -0.0096 1413 VAL 93 H 0.0063 0.0070 -0.0133 1414 VAL 93 HA 0.0081 0.0126 -0.0092 1415 VAL 93 HB 0.0020 0.0097 -0.0108 1416 VAL 93 HG11 0.0001 0.0142 -0.0072 1417 VAL 93 HG12 -0.0001 0.0138 -0.0075 1418 VAL 93 HG13 0.0033 0.0158 -0.0063 1419 VAL 93 HG21 0.0046 0.0121 -0.0092 1420 VAL 93 HG22 0.0079 0.0136 -0.0084 1421 VAL 93 HG23 0.0076 0.0100 -0.0111 1422 ALA 94 N 0.0046 0.0090 -0.0176 1423 ALA 94 CA 0.0017 0.0127 -0.0165 1424 ALA 94 C 0.0036 0.0140 -0.0126 1425 ALA 94 O 0.0026 0.0172 -0.0099 1426 ALA 94 CB -0.0012 0.0127 -0.0202 1427 ALA 94 H 0.0044 0.0070 -0.0205 1428 ALA 94 HA 0.0003 0.0147 -0.0158 1429 ALA 94 HB1 -0.0033 0.0155 -0.0193 1430 ALA 94 HB2 -0.0026 0.0120 -0.0228 1431 ALA 94 HB3 0.0002 0.0107 -0.0210 1432 CYS 95 N 0.0041 0.0113 -0.0129 1433 CYS 95 CA 0.0046 0.0117 -0.0106 1434 CYS 95 C 0.0051 0.0111 -0.0094 1435 CYS 95 O 0.0052 0.0123 -0.0078 1436 CYS 95 CB 0.0050 0.0107 -0.0100 1437 CYS 95 SG 0.0056 0.0113 -0.0071 1438 CYS 95 H 0.0042 0.0101 -0.0137 1439 CYS 95 HA 0.0043 0.0135 -0.0103 1440 CYS 95 HB3 0.0054 0.0090 -0.0103 1441 CYS 95 HB2 0.0046 0.0113 -0.0109 1442 ALA 96 N 0.0050 0.0110 -0.0067 1443 ALA 96 CA 0.0053 0.0102 -0.0057 1444 ALA 96 C 0.0050 0.0109 -0.0056 1445 ALA 96 O 0.0050 0.0108 -0.0044 1446 ALA 96 CB 0.0060 0.0088 -0.0062 1447 ALA 96 H 0.0053 0.0105 -0.0076 1448 ALA 96 HA 0.0053 0.0101 -0.0046 1449 ALA 96 HB1 0.0062 0.0083 -0.0055 1450 ALA 96 HB2 0.0063 0.0084 -0.0062 1451 ALA 96 HB3 0.0061 0.0089 -0.0073 1452 LYS 97 N 0.0065 0.0125 -0.0024 1453 LYS 97 CA 0.0059 0.0127 -0.0018 1454 LYS 97 C 0.0052 0.0130 -0.0014 1455 LYS 97 O 0.0050 0.0131 -0.0006 1456 LYS 97 CB 0.0056 0.0128 -0.0023 1457 LYS 97 CG 0.0063 0.0125 -0.0025 1458 LYS 97 CD 0.0059 0.0126 -0.0030 1459 LYS 97 CE 0.0066 0.0124 -0.0031 1460 LYS 97 NZ 0.0062 0.0125 -0.0038 1461 LYS 97 H 0.0065 0.0124 -0.0030 1462 LYS 97 HA 0.0063 0.0126 -0.0012 1463 LYS 97 HB3 0.0050 0.0130 -0.0019 1464 LYS 97 HB2 0.0053 0.0129 -0.0030 1465 LYS 97 HG3 0.0068 0.0123 -0.0028 1466 LYS 97 HG2 0.0065 0.0125 -0.0018 1467 LYS 97 HD3 0.0053 0.0129 -0.0027 1468 LYS 97 HD2 0.0057 0.0127 -0.0037 1469 LYS 97 HE3 0.0072 0.0122 -0.0034 1470 LYS 97 HE2 0.0067 0.0124 -0.0025 1471 LYS 97 HZ1 0.0067 0.0123 -0.0041 1472 LYS 97 HZ2 0.0059 0.0126 -0.0043 1473 LYS 97 HZ3 0.0059 0.0127 -0.0034 1474 ARG 98 N 0.0085 0.0116 0.0025 1475 ARG 98 CA 0.0061 0.0032 -0.0048 1476 ARG 98 C 0.0029 0.0050 -0.0147 1477 ARG 98 O 0.0015 -0.0025 -0.0187 1478 ARG 98 CB 0.0054 0.0017 -0.0068 1479 ARG 98 CG 0.0025 -0.0054 -0.0156 1480 ARG 98 CD 0.0030 -0.0169 -0.0138 1481 ARG 98 NE -0.0001 -0.0234 -0.0232 1482 ARG 98 CZ -0.0025 -0.0251 -0.0306 1483 ARG 98 NH1 -0.0026 -0.0202 -0.0310 1484 ARG 98 NH2 -0.0049 -0.0318 -0.0379 1485 ARG 98 H 0.0093 0.0161 0.0048 1486 ARG 98 HA 0.0071 -0.0042 -0.0014 1487 ARG 98 HB3 0.0051 0.0095 -0.0080 1488 ARG 98 HB2 0.0076 -0.0014 0.0001 1489 ARG 98 HG3 0.0003 -0.0024 -0.0224 1490 ARG 98 HG2 0.0020 -0.0051 -0.0172 1491 ARG 98 HD3 0.0050 -0.0203 -0.0076 1492 ARG 98 HD2 0.0037 -0.0173 -0.0117 1493 ARG 98 HE -0.0002 -0.0267 -0.0236 1494 ARG 98 HH12 -0.0045 -0.0217 -0.0368 1495 ARG 98 HH11 -0.0008 -0.0149 -0.0255 1496 ARG 98 HH22 -0.0068 -0.0334 -0.0438 1497 ARG 98 HH21 -0.0048 -0.0354 -0.0377 1498 VAL 99 N 0.0071 0.0077 -0.0061 1499 VAL 99 CA 0.0057 0.0066 -0.0051 1500 VAL 99 C 0.0060 0.0044 -0.0041 1501 VAL 99 O 0.0044 0.0035 -0.0032 1502 VAL 99 CB 0.0061 0.0067 -0.0053 1503 VAL 99 CG1 0.0049 0.0053 -0.0042 1504 VAL 99 CG2 0.0057 0.0089 -0.0062 1505 VAL 99 H 0.0082 0.0084 -0.0068 1506 VAL 99 HA 0.0041 0.0073 -0.0049 1507 VAL 99 HB 0.0078 0.0062 -0.0056 1508 VAL 99 HG11 0.0052 0.0054 -0.0044 1509 VAL 99 HG12 0.0054 0.0037 -0.0036 1510 VAL 99 HG13 0.0032 0.0057 -0.0038 1511 VAL 99 HG21 0.0060 0.0089 -0.0063 1512 VAL 99 HG22 0.0040 0.0095 -0.0059 1513 VAL 99 HG23 0.0067 0.0098 -0.0070 1514 VAL 100 N 0.0064 0.0018 0.0030 1515 VAL 100 CA 0.0065 0.0013 0.0031 1516 VAL 100 C 0.0066 0.0003 0.0033 1517 VAL 100 O 0.0066 -0.0002 0.0034 1518 VAL 100 CB 0.0069 0.0017 0.0035 1519 VAL 100 CG1 0.0067 0.0025 0.0033 1520 VAL 100 CG2 0.0076 0.0017 0.0042 1521 VAL 100 H 0.0067 0.0022 0.0033 1522 VAL 100 HA 0.0060 0.0012 0.0027 1523 VAL 100 HB 0.0069 0.0012 0.0035 1524 VAL 100 HG11 0.0070 0.0028 0.0035 1525 VAL 100 HG12 0.0062 0.0024 0.0028 1526 VAL 100 HG13 0.0067 0.0030 0.0032 1527 VAL 100 HG21 0.0079 0.0020 0.0044 1528 VAL 100 HG22 0.0076 0.0021 0.0042 1529 VAL 100 HG23 0.0077 0.0011 0.0044 1530 ARG 101 N 0.0103 -0.0071 -0.0007 1531 ARG 101 CA 0.0063 -0.0115 0.0021 1532 ARG 101 C 0.0030 -0.0138 0.0002 1533 ARG 101 O 0.0001 -0.0172 0.0031 1534 ARG 101 CB 0.0038 -0.0134 0.0016 1535 ARG 101 CG 0.0065 -0.0125 0.0056 1536 ARG 101 CD 0.0037 -0.0151 0.0064 1537 ARG 101 NE 0.0019 -0.0149 0.0008 1538 ARG 101 CZ 0.0039 -0.0124 -0.0013 1539 ARG 101 NH1 0.0084 -0.0093 0.0010 1540 ARG 101 NH2 0.0017 -0.0128 -0.0060 1541 ARG 101 H 0.0102 -0.0061 -0.0041 1542 ARG 101 HA 0.0077 -0.0118 0.0068 1543 ARG 101 HB3 0.0004 -0.0168 0.0026 1544 ARG 101 HB2 0.0032 -0.0125 -0.0029 1545 ARG 101 HG3 0.0096 -0.0093 0.0039 1546 ARG 101 HG2 0.0080 -0.0126 0.0099 1547 ARG 101 HD3 0.0059 -0.0143 0.0095 1548 ARG 101 HD2 0.0008 -0.0183 0.0084 1549 ARG 101 HE -0.0012 -0.0168 -0.0014 1550 ARG 101 HH12 0.0098 -0.0075 -0.0007 1551 ARG 101 HH11 0.0103 -0.0089 0.0044 1552 ARG 101 HH22 0.0033 -0.0109 -0.0076 1553 ARG 101 HH21 -0.0016 -0.0150 -0.0080 1554 ASP 102 N 0.0108 -0.0096 0.0078 1555 ASP 102 CA 0.0106 -0.0099 0.0072 1556 ASP 102 C 0.0130 -0.0077 0.0110 1557 ASP 102 O 0.0157 -0.0057 0.0129 1558 ASP 102 CB 0.0126 -0.0099 0.0021 1559 ASP 102 CG 0.0093 -0.0126 -0.0015 1560 ASP 102 OD1 0.0058 -0.0142 -0.0003 1561 ASP 102 OD2 0.0104 -0.0129 -0.0056 1562 ASP 102 H 0.0129 -0.0090 0.0056 1563 ASP 102 HA 0.0072 -0.0116 0.0077 1564 ASP 102 HB3 0.0138 -0.0092 0.0022 1565 ASP 102 HB2 0.0152 -0.0087 0.0011 1566 PRO 103 N 0.0016 -0.0427 0.0067 1567 PRO 103 CA 0.0121 -0.0075 0.0191 1568 PRO 103 C 0.0344 0.0062 0.0172 1569 PRO 103 O 0.0295 0.0328 0.0313 1570 PRO 103 CB 0.0293 -0.0014 0.0155 1571 PRO 103 CG 0.0129 -0.0279 0.0093 1572 PRO 103 CD 0.0050 -0.0568 -0.0012 1573 PRO 103 HA -0.0103 0.0043 0.0329 1574 PRO 103 HB3 0.0245 0.0219 0.0281 1575 PRO 103 HB2 0.0559 -0.0034 0.0047 1576 PRO 103 HG3 -0.0103 -0.0212 0.0210 1577 PRO 103 HG2 0.0306 -0.0332 0.0003 1578 PRO 103 HD2 0.0262 -0.0704 -0.0153 1579 PRO 103 HD3 -0.0188 -0.0708 0.0012 1580 GLN 104 N 0.0084 -0.0114 0.0152 1581 GLN 104 CA 0.0063 -0.0101 0.0148 1582 GLN 104 C 0.0073 -0.0089 0.0161 1583 GLN 104 O 0.0060 -0.0083 0.0158 1584 GLN 104 CB 0.0045 -0.0078 0.0152 1585 GLN 104 CG 0.0021 -0.0080 0.0136 1586 GLN 104 CD 0.0003 -0.0056 0.0141 1587 GLN 104 OE1 -0.0020 -0.0051 0.0131 1588 GLN 104 NE2 0.0013 -0.0040 0.0158 1589 GLN 104 H 0.0085 -0.0107 0.0156 1590 GLN 104 HA 0.0053 -0.0113 0.0133 1591 GLN 104 HB3 0.0042 -0.0062 0.0161 1592 GLN 104 HB2 0.0056 -0.0073 0.0162 1593 GLN 104 HG3 0.0025 -0.0093 0.0130 1594 GLN 104 HG2 0.0012 -0.0089 0.0125 1595 GLN 104 HE22 0.0002 -0.0024 0.0163 1596 GLN 104 HE21 0.0032 -0.0045 0.0167 1597 GLY 105 N 0.0068 -0.0038 0.0115 1598 GLY 105 CA 0.0064 -0.0033 0.0122 1599 GLY 105 C 0.0061 -0.0028 0.0123 1600 GLY 105 O 0.0062 -0.0030 0.0122 1601 GLY 105 H 0.0071 -0.0044 0.0115 1602 GLY 105 HA3 0.0063 -0.0030 0.0121 1603 GLY 105 HA2 0.0065 -0.0037 0.0128 1604 ILE 106 N -0.0022 -0.0002 0.0073 1605 ILE 106 CA -0.0017 -0.0018 0.0072 1606 ILE 106 C -0.0006 -0.0022 0.0085 1607 ILE 106 O -0.0000 -0.0035 0.0085 1608 ILE 106 CB -0.0020 -0.0026 0.0063 1609 ILE 106 CG1 -0.0017 -0.0043 0.0059 1610 ILE 106 CG2 -0.0017 -0.0022 0.0069 1611 ILE 106 CD1 -0.0023 -0.0049 0.0047 1612 ILE 106 H -0.0025 0.0002 0.0071 1613 ILE 106 HA -0.0019 -0.0022 0.0067 1614 ILE 106 HB -0.0028 -0.0021 0.0055 1615 ILE 106 HG13 -0.0016 -0.0045 0.0058 1616 ILE 106 HG12 -0.0009 -0.0048 0.0066 1617 ILE 106 HG21 -0.0019 -0.0028 0.0063 1618 ILE 106 HG22 -0.0020 -0.0010 0.0071 1619 ILE 106 HG23 -0.0009 -0.0025 0.0079 1620 ILE 106 HD11 -0.0020 -0.0061 0.0044 1621 ILE 106 HD12 -0.0030 -0.0044 0.0039 1622 ILE 106 HD13 -0.0023 -0.0047 0.0047 1623 ARG 107 N -0.0027 -0.0025 0.0148 1624 ARG 107 CA -0.0028 -0.0022 0.0138 1625 ARG 107 C -0.0038 -0.0021 0.0117 1626 ARG 107 O -0.0038 -0.0017 0.0107 1627 ARG 107 CB -0.0037 -0.0032 0.0150 1628 ARG 107 CG -0.0025 -0.0032 0.0170 1629 ARG 107 CD -0.0034 -0.0042 0.0182 1630 ARG 107 NE -0.0024 -0.0043 0.0203 1631 ARG 107 CZ -0.0020 -0.0044 0.0211 1632 ARG 107 NH1 -0.0032 -0.0050 0.0208 1633 ARG 107 NH2 -0.0004 -0.0039 0.0223 1634 ARG 107 H -0.0034 -0.0033 0.0159 1635 ARG 107 HA -0.0015 -0.0014 0.0138 1636 ARG 107 HB3 -0.0040 -0.0031 0.0142 1637 ARG 107 HB2 -0.0050 -0.0040 0.0153 1638 ARG 107 HG3 -0.0021 -0.0033 0.0177 1639 ARG 107 HG2 -0.0013 -0.0024 0.0167 1640 ARG 107 HD3 -0.0034 -0.0040 0.0177 1641 ARG 107 HD2 -0.0048 -0.0050 0.0182 1642 ARG 107 HE -0.0020 -0.0044 0.0210 1643 ARG 107 HH12 -0.0028 -0.0050 0.0215 1644 ARG 107 HH11 -0.0044 -0.0054 0.0200 1645 ARG 107 HH22 -0.0001 -0.0039 0.0229 1646 ARG 107 HH21 0.0005 -0.0034 0.0225 1647 ALA 108 N 0.0025 -0.0016 0.0102 1648 ALA 108 CA 0.0014 0.0001 0.0098 1649 ALA 108 C 0.0012 0.0014 0.0094 1650 ALA 108 O -0.0002 0.0025 0.0091 1651 ALA 108 CB 0.0023 0.0012 0.0095 1652 ALA 108 H 0.0037 -0.0020 0.0103 1653 ALA 108 HA -0.0001 -0.0004 0.0098 1654 ALA 108 HB1 0.0014 0.0025 0.0092 1655 ALA 108 HB2 0.0023 0.0002 0.0098 1656 ALA 108 HB3 0.0038 0.0016 0.0095 1657 TRP 109 N -0.0005 -0.0001 0.0034 1658 TRP 109 CA -0.0002 -0.0004 0.0033 1659 TRP 109 C -0.0003 -0.0020 0.0044 1660 TRP 109 O 0.0004 -0.0032 0.0044 1661 TRP 109 CB 0.0011 -0.0006 0.0020 1662 TRP 109 CG 0.0014 0.0008 0.0008 1663 TRP 109 CD1 0.0013 0.0018 0.0003 1664 TRP 109 CD2 0.0018 0.0015 -0.0001 1665 TRP 109 NE1 0.0017 0.0029 -0.0008 1666 TRP 109 CE2 0.0020 0.0027 -0.0011 1667 TRP 109 CE3 0.0022 0.0010 -0.0001 1668 TRP 109 CZ2 0.0025 0.0036 -0.0021 1669 TRP 109 CZ3 0.0026 0.0018 -0.0011 1670 TRP 109 CH2 0.0028 0.0031 -0.0021 1671 TRP 109 H 0.0001 -0.0005 0.0030 1672 TRP 109 HA -0.0008 0.0005 0.0034 1673 TRP 109 HB3 0.0014 -0.0012 0.0020 1674 TRP 109 HB2 0.0017 -0.0014 0.0018 1675 TRP 109 HD1 0.0010 0.0016 0.0008 1676 TRP 109 HE1 0.0017 0.0037 -0.0013 1677 TRP 109 HE3 0.0020 -0.0000 0.0006 1678 TRP 109 HZ2 0.0026 0.0046 -0.0028 1679 TRP 109 HZ3 0.0028 0.0015 -0.0011 1680 TRP 109 HH2 0.0031 0.0037 -0.0029 1681 VAL 110 N -0.0034 0.0052 -0.0015 1682 VAL 110 CA -0.0018 0.0024 0.0021 1683 VAL 110 C 0.0046 0.0008 0.0017 1684 VAL 110 O 0.0067 -0.0023 0.0057 1685 VAL 110 CB -0.0049 0.0033 0.0022 1686 VAL 110 CG1 -0.0112 0.0051 0.0022 1687 VAL 110 CG2 -0.0018 0.0047 -0.0015 1688 VAL 110 H -0.0060 0.0075 -0.0041 1689 VAL 110 HA -0.0032 0.0005 0.0058 1690 VAL 110 HB -0.0045 0.0008 0.0059 1691 VAL 110 HG11 -0.0130 0.0056 0.0023 1692 VAL 110 HG12 -0.0131 0.0035 0.0056 1693 VAL 110 HG13 -0.0120 0.0075 -0.0012 1694 VAL 110 HG21 -0.0042 0.0052 -0.0013 1695 VAL 110 HG22 -0.0015 0.0070 -0.0053 1696 VAL 110 HG23 0.0025 0.0028 -0.0005 1697 ALA 111 N 0.0008 -0.0002 -0.0048 1698 ALA 111 CA 0.0021 -0.0010 -0.0052 1699 ALA 111 C 0.0017 -0.0004 -0.0044 1700 ALA 111 O 0.0030 -0.0007 -0.0038 1701 ALA 111 CB 0.0020 -0.0021 -0.0073 1702 ALA 111 H 0.0001 -0.0004 -0.0060 1703 ALA 111 HA 0.0036 -0.0014 -0.0046 1704 ALA 111 HB1 0.0030 -0.0026 -0.0075 1705 ALA 111 HB2 0.0024 -0.0026 -0.0079 1706 ALA 111 HB3 0.0006 -0.0017 -0.0080 1707 TRP 112 N 0.0024 -0.0040 -0.0003 1708 TRP 112 CA 0.0022 -0.0036 0.0016 1709 TRP 112 C 0.0030 -0.0031 0.0043 1710 TRP 112 O 0.0043 -0.0030 0.0057 1711 TRP 112 CB -0.0006 -0.0032 0.0015 1712 TRP 112 CG -0.0008 -0.0028 0.0033 1713 TRP 112 CD1 -0.0003 -0.0030 0.0028 1714 TRP 112 CD2 -0.0016 -0.0021 0.0060 1715 TRP 112 NE1 -0.0007 -0.0024 0.0050 1716 TRP 112 CE2 -0.0015 -0.0019 0.0070 1717 TRP 112 CE3 -0.0023 -0.0017 0.0075 1718 TRP 112 CZ2 -0.0021 -0.0013 0.0095 1719 TRP 112 CZ3 -0.0029 -0.0010 0.0101 1720 TRP 112 CH2 -0.0028 -0.0009 0.0110 1721 TRP 112 H 0.0008 -0.0040 -0.0012 1722 TRP 112 HA 0.0035 -0.0039 0.0011 1723 TRP 112 HB3 -0.0020 -0.0029 0.0021 1724 TRP 112 HB2 -0.0012 -0.0035 -0.0004 1725 TRP 112 HD1 0.0003 -0.0035 0.0010 1726 TRP 112 HE1 -0.0004 -0.0025 0.0050 1727 TRP 112 HE3 -0.0024 -0.0018 0.0068 1728 TRP 112 HZ2 -0.0020 -0.0011 0.0102 1729 TRP 112 HZ3 -0.0035 -0.0007 0.0113 1730 TRP 112 HH2 -0.0033 -0.0004 0.0130 1731 ARG 113 N 0.0031 0.0015 0.0078 1732 ARG 113 CA 0.0034 0.0009 0.0108 1733 ARG 113 C 0.0065 0.0006 0.0110 1734 ARG 113 O 0.0079 -0.0001 0.0135 1735 ARG 113 CB 0.0007 0.0011 0.0112 1736 ARG 113 CG -0.0026 0.0015 0.0109 1737 ARG 113 CD -0.0050 0.0017 0.0113 1738 ARG 113 NE -0.0079 0.0023 0.0096 1739 ARG 113 CZ -0.0101 0.0027 0.0090 1740 ARG 113 NH1 -0.0098 0.0025 0.0098 1741 ARG 113 NH2 -0.0126 0.0032 0.0074 1742 ARG 113 H 0.0015 0.0020 0.0063 1743 ARG 113 HA 0.0032 0.0006 0.0127 1744 ARG 113 HB3 0.0009 0.0007 0.0134 1745 ARG 113 HB2 0.0010 0.0014 0.0095 1746 ARG 113 HG3 -0.0028 0.0020 0.0086 1747 ARG 113 HG2 -0.0030 0.0012 0.0127 1748 ARG 113 HD3 -0.0056 0.0013 0.0137 1749 ARG 113 HD2 -0.0041 0.0018 0.0104 1750 ARG 113 HE -0.0081 0.0025 0.0090 1751 ARG 113 HH12 -0.0115 0.0027 0.0093 1752 ARG 113 HH11 -0.0079 0.0020 0.0110 1753 ARG 113 HH22 -0.0143 0.0035 0.0069 1754 ARG 113 HH21 -0.0128 0.0034 0.0068 1755 ASN 114 N 0.0052 0.0065 0.0002 1756 ASN 114 CA 0.0066 0.0065 0.0002 1757 ASN 114 C 0.0021 0.0071 0.0002 1758 ASN 114 O 0.0026 0.0095 -0.0001 1759 ASN 114 CB 0.0094 0.0016 0.0007 1760 ASN 114 CG 0.0140 0.0003 0.0008 1761 ASN 114 OD1 0.0160 0.0029 0.0004 1762 ASN 114 ND2 0.0156 -0.0046 0.0013 1763 ASN 114 H 0.0054 0.0033 0.0006 1764 ASN 114 HA 0.0092 0.0096 -0.0002 1765 ASN 114 HB3 0.0104 0.0017 0.0007 1766 ASN 114 HB2 0.0067 -0.0016 0.0011 1767 ASN 114 HD22 0.0187 -0.0059 0.0014 1768 ASN 114 HD21 0.0137 -0.0068 0.0016 1769 ARG 115 N -0.0049 -0.0091 -0.0093 1770 ARG 115 CA -0.0028 -0.0073 -0.0079 1771 ARG 115 C 0.0046 -0.0121 -0.0091 1772 ARG 115 O 0.0058 -0.0115 -0.0085 1773 ARG 115 CB -0.0007 0.0010 -0.0028 1774 ARG 115 CG -0.0077 0.0065 -0.0010 1775 ARG 115 CD -0.0138 0.0088 -0.0010 1776 ARG 115 NE -0.0201 0.0147 0.0011 1777 ARG 115 CZ -0.0262 0.0177 0.0016 1778 ARG 115 NH1 -0.0256 0.0158 0.0006 1779 ARG 115 NH2 -0.0323 0.0223 0.0030 1780 ARG 115 H -0.0009 -0.0078 -0.0077 1781 ARG 115 HA -0.0084 -0.0078 -0.0092 1782 ARG 115 HB3 0.0012 0.0025 -0.0016 1783 ARG 115 HB2 0.0050 0.0015 -0.0014 1784 ARG 115 HG3 -0.0050 0.0115 0.0023 1785 ARG 115 HG2 -0.0111 0.0040 -0.0031 1786 ARG 115 HD3 -0.0169 0.0039 -0.0043 1787 ARG 115 HD2 -0.0102 0.0111 0.0010 1788 ARG 115 HE -0.0199 0.0164 0.0021 1789 ARG 115 HH12 -0.0301 0.0179 0.0010 1790 ARG 115 HH11 -0.0207 0.0122 -0.0004 1791 ARG 115 HH22 -0.0369 0.0246 0.0034 1792 ARG 115 HH21 -0.0324 0.0236 0.0037 1793 CYS 116 N 0.0055 -0.0040 -0.0029 1794 CYS 116 CA 0.0051 -0.0037 -0.0033 1795 CYS 116 C 0.0053 -0.0032 -0.0036 1796 CYS 116 O 0.0049 -0.0029 -0.0039 1797 CYS 116 CB 0.0051 -0.0038 -0.0032 1798 CYS 116 SG 0.0050 -0.0045 -0.0028 1799 CYS 116 H 0.0059 -0.0039 -0.0028 1800 CYS 116 HA 0.0047 -0.0039 -0.0034 1801 CYS 116 HB3 0.0048 -0.0037 -0.0034 1802 CYS 116 HB2 0.0055 -0.0037 -0.0031 1803 GLN 117 N -0.0014 -0.0005 -0.0020 1804 GLN 117 CA -0.0020 0.0067 0.0003 1805 GLN 117 C 0.0000 0.0054 0.0027 1806 GLN 117 O 0.0039 0.0007 0.0064 1807 GLN 117 CB 0.0005 0.0113 0.0059 1808 GLN 117 CG 0.0001 0.0189 0.0087 1809 GLN 117 CD 0.0018 0.0239 0.0133 1810 GLN 117 OE1 -0.0001 0.0313 0.0139 1811 GLN 117 NE2 0.0046 0.0211 0.0163 1812 GLN 117 H 0.0004 -0.0016 0.0002 1813 GLN 117 HA -0.0057 0.0099 -0.0038 1814 GLN 117 HB3 0.0041 0.0079 0.0098 1815 GLN 117 HB2 -0.0009 0.0121 0.0042 1816 GLN 117 HG3 -0.0035 0.0219 0.0047 1817 GLN 117 HG2 0.0022 0.0180 0.0113 1818 GLN 117 HE22 0.0056 0.0246 0.0193 1819 GLN 117 HE21 0.0059 0.0154 0.0157 1820 ASN 118 N -0.0041 0.0106 -0.0051 1821 ASN 118 CA -0.0004 0.0128 -0.0008 1822 ASN 118 C 0.0067 0.0203 -0.0009 1823 ASN 118 O 0.0099 0.0234 -0.0003 1824 ASN 118 CB -0.0036 0.0110 -0.0047 1825 ASN 118 CG -0.0106 0.0034 -0.0040 1826 ASN 118 OD1 -0.0121 -0.0009 0.0028 1827 ASN 118 ND2 -0.0151 0.0016 -0.0112 1828 ASN 118 H -0.0064 0.0069 -0.0016 1829 ASN 118 HA -0.0005 0.0099 0.0061 1830 ASN 118 HB3 -0.0006 0.0128 -0.0012 1831 ASN 118 HB2 -0.0036 0.0139 -0.0116 1832 ASN 118 HD22 -0.0199 -0.0034 -0.0111 1833 ASN 118 HD21 -0.0138 0.0053 -0.0168 1834 ARG 119 N 0.0091 -0.0132 -0.0252 1835 ARG 119 CA 0.0065 -0.0124 -0.0242 1836 ARG 119 C 0.0120 -0.0124 -0.0247 1837 ARG 119 O 0.0174 -0.0116 -0.0244 1838 ARG 119 CB 0.0039 -0.0073 -0.0196 1839 ARG 119 CG -0.0021 -0.0067 -0.0186 1840 ARG 119 CD -0.0049 -0.0019 -0.0142 1841 ARG 119 NE -0.0094 -0.0006 -0.0127 1842 ARG 119 CZ -0.0152 0.0007 -0.0112 1843 ARG 119 NH1 -0.0178 -0.0001 -0.0116 1844 ARG 119 NH2 -0.0184 0.0025 -0.0093 1845 ARG 119 H 0.0129 -0.0111 -0.0237 1846 ARG 119 HA 0.0028 -0.0151 -0.0263 1847 ARG 119 HB3 0.0033 -0.0064 -0.0188 1848 ARG 119 HB2 0.0075 -0.0047 -0.0176 1849 ARG 119 HG3 -0.0013 -0.0068 -0.0187 1850 ARG 119 HG2 -0.0055 -0.0096 -0.0208 1851 ARG 119 HD3 -0.0075 -0.0023 -0.0143 1852 ARG 119 HD2 -0.0011 0.0009 -0.0121 1853 ARG 119 HE -0.0078 -0.0007 -0.0130 1854 ARG 119 HH12 -0.0222 0.0009 -0.0104 1855 ARG 119 HH11 -0.0153 -0.0017 -0.0132 1856 ARG 119 HH22 -0.0228 0.0035 -0.0081 1857 ARG 119 HH21 -0.0164 0.0029 -0.0091 1858 ASP 120 N 0.0447 0.0087 -0.0207 1859 ASP 120 CA 0.0390 0.0071 -0.0304 1860 ASP 120 C 0.0438 0.0093 0.0177 1861 ASP 120 O 0.0154 0.0032 0.0488 1862 ASP 120 CB -0.0128 -0.0055 -0.0463 1863 ASP 120 CG -0.0217 -0.0081 -0.0656 1864 ASP 120 OD1 0.0081 -0.0008 -0.0558 1865 ASP 120 OD2 -0.0587 -0.0173 -0.0851 1866 ASP 120 H 0.0169 0.0021 -0.0190 1867 ASP 120 HA 0.0632 0.0124 -0.0570 1868 ASP 120 HB3 -0.0354 -0.0103 -0.0160 1869 ASP 120 HB2 -0.0200 -0.0078 -0.0737 1870 VAL 121 N 0.0237 0.0030 0.0113 1871 VAL 121 CA 0.0226 0.0000 0.0087 1872 VAL 121 C 0.0202 -0.0003 0.0095 1873 VAL 121 O 0.0187 -0.0027 0.0077 1874 VAL 121 CB 0.0205 -0.0023 0.0072 1875 VAL 121 CG1 0.0233 -0.0024 0.0058 1876 VAL 121 CG2 0.0169 -0.0018 0.0094 1877 VAL 121 H 0.0217 0.0037 0.0131 1878 VAL 121 HA 0.0252 -0.0004 0.0070 1879 VAL 121 HB 0.0197 -0.0044 0.0054 1880 VAL 121 HG11 0.0217 -0.0041 0.0047 1881 VAL 121 HG12 0.0257 -0.0030 0.0040 1882 VAL 121 HG13 0.0243 -0.0003 0.0075 1883 VAL 121 HG21 0.0156 -0.0035 0.0083 1884 VAL 121 HG22 0.0175 0.0003 0.0114 1885 VAL 121 HG23 0.0149 -0.0020 0.0102 1886 ARG 122 N 0.0276 0.0208 0.0546 1887 ARG 122 CA 0.0064 0.0093 0.0072 1888 ARG 122 C 0.0080 -0.0393 -0.0078 1889 ARG 122 O -0.0092 -0.0479 -0.0461 1890 ARG 122 CB -0.0012 0.0155 -0.0061 1891 ARG 122 CG 0.0032 -0.0310 -0.0145 1892 ARG 122 CD -0.0144 -0.0273 -0.0491 1893 ARG 122 NE -0.0084 -0.0064 -0.0291 1894 ARG 122 CZ 0.0017 0.0273 0.0041 1895 ARG 122 NH1 -0.0079 0.0672 -0.0006 1896 ARG 122 NH2 0.0208 0.0206 0.0407 1897 ARG 122 H 0.0352 0.0287 0.0731 1898 ARG 122 HA -0.0062 0.0355 -0.0089 1899 ARG 122 HB3 0.0070 0.0382 0.0190 1900 ARG 122 HB2 -0.0190 0.0353 -0.0351 1901 ARG 122 HG3 0.0032 -0.0595 -0.0251 1902 ARG 122 HG2 0.0198 -0.0406 0.0157 1903 ARG 122 HD3 -0.0308 -0.0049 -0.0740 1904 ARG 122 HD2 -0.0154 -0.0627 -0.0643 1905 ARG 122 HE -0.0122 -0.0182 -0.0411 1906 ARG 122 HH12 -0.0005 0.0930 0.0242 1907 ARG 122 HH11 -0.0227 0.0717 -0.0289 1908 ARG 122 HH22 0.0285 0.0460 0.0659 1909 ARG 122 HH21 0.0279 -0.0100 0.0438 1910 GLN 123 N -0.0003 -0.0043 0.0120 1911 GLN 123 CA 0.0042 -0.0147 0.0049 1912 GLN 123 C -0.0025 -0.0223 -0.0044 1913 GLN 123 O -0.0045 -0.0295 -0.0115 1914 GLN 123 CB 0.0186 -0.0188 0.0074 1915 GLN 123 CG 0.0226 -0.0218 0.0065 1916 GLN 123 CD 0.0367 -0.0239 0.0105 1917 GLN 123 OE1 0.0413 -0.0188 0.0168 1918 GLN 123 NE2 0.0438 -0.0321 0.0064 1919 GLN 123 H 0.0061 -0.0010 0.0175 1920 GLN 123 HA 0.0023 -0.0143 0.0044 1921 GLN 123 HB3 0.0232 -0.0130 0.0143 1922 GLN 123 HB2 0.0220 -0.0254 0.0031 1923 GLN 123 HG3 0.0194 -0.0285 -0.0007 1924 GLN 123 HG2 0.0178 -0.0157 0.0097 1925 GLN 123 HE22 0.0532 -0.0339 0.0088 1926 GLN 123 HE21 0.0397 -0.0365 0.0010 1927 TYR 124 N 0.0067 -0.0079 0.0038 1928 TYR 124 CA 0.0049 -0.0104 0.0011 1929 TYR 124 C 0.0013 -0.0110 0.0006 1930 TYR 124 O 0.0002 -0.0133 -0.0019 1931 TYR 124 CB 0.0044 -0.0110 0.0004 1932 TYR 124 CG 0.0081 -0.0108 0.0005 1933 TYR 124 CD1 0.0108 -0.0127 -0.0017 1934 TYR 124 CD2 0.0090 -0.0087 0.0028 1935 TYR 124 CE1 0.0142 -0.0125 -0.0017 1936 TYR 124 CE2 0.0124 -0.0085 0.0029 1937 TYR 124 CZ 0.0151 -0.0104 0.0007 1938 TYR 124 OH 0.0185 -0.0102 0.0007 1939 TYR 124 H 0.0068 -0.0066 0.0052 1940 TYR 124 HA 0.0069 -0.0118 -0.0005 1941 TYR 124 HB3 0.0031 -0.0130 -0.0017 1942 TYR 124 HB2 0.0023 -0.0097 0.0020 1943 TYR 124 HD1 0.0102 -0.0144 -0.0036 1944 TYR 124 HD2 0.0070 -0.0072 0.0046 1945 TYR 124 HE1 0.0162 -0.0141 -0.0035 1946 TYR 124 HE2 0.0130 -0.0068 0.0047 1947 TYR 124 HH 0.0187 -0.0086 0.0025 1948 VAL 125 N -0.0096 -0.0147 0.0014 1949 VAL 125 CA -0.0103 -0.0148 0.0013 1950 VAL 125 C -0.0101 -0.0146 0.0016 1951 VAL 125 O -0.0107 -0.0147 0.0015 1952 VAL 125 CB -0.0112 -0.0146 0.0017 1953 VAL 125 CG1 -0.0115 -0.0148 0.0013 1954 VAL 125 CG2 -0.0111 -0.0140 0.0025 1955 VAL 125 H -0.0094 -0.0144 0.0019 1956 VAL 125 HA -0.0105 -0.0152 0.0007 1957 VAL 125 HB -0.0117 -0.0146 0.0016 1958 VAL 125 HG11 -0.0122 -0.0146 0.0016 1959 VAL 125 HG12 -0.0117 -0.0152 0.0007 1960 VAL 125 HG13 -0.0110 -0.0148 0.0014 1961 VAL 125 HG21 -0.0117 -0.0139 0.0028 1962 VAL 125 HG22 -0.0105 -0.0140 0.0026 1963 VAL 125 HG23 -0.0108 -0.0139 0.0028 1964 GLN 126 N -0.0189 -0.0243 0.0110 1965 GLN 126 CA -0.0126 -0.0157 0.0232 1966 GLN 126 C -0.0089 -0.0112 0.0233 1967 GLN 126 O -0.0060 -0.0084 0.0114 1968 GLN 126 CB -0.0042 -0.0055 0.0222 1969 GLN 126 CG 0.0030 0.0023 0.0089 1970 GLN 126 CD 0.0132 0.0151 0.0131 1971 GLN 126 OE1 0.0176 0.0201 0.0074 1972 GLN 126 NE2 0.0170 0.0204 0.0230 1973 GLN 126 H -0.0173 -0.0228 0.0028 1974 GLN 126 HA -0.0167 -0.0199 0.0339 1975 GLN 126 HB3 -0.0071 -0.0091 0.0216 1976 GLN 126 HB2 -0.0004 -0.0002 0.0328 1977 GLN 126 HG3 0.0025 0.0015 0.0052 1978 GLN 126 HG2 0.0011 -0.0006 -0.0006 1979 GLN 126 HE22 0.0237 0.0289 0.0262 1980 GLN 126 HE21 0.0130 0.0159 0.0274 1981 GLY 127 N -0.0129 -0.0109 0.0233 1982 GLY 127 CA -0.0079 -0.0056 0.0244 1983 GLY 127 C -0.0133 -0.0106 0.0202 1984 GLY 127 O -0.0097 -0.0065 0.0197 1985 GLY 127 H -0.0147 -0.0148 0.0319 1986 GLY 127 HA3 -0.0022 0.0020 0.0187 1987 GLY 127 HA2 -0.0043 -0.0040 0.0347 1988 CYS 128 N -0.0128 -0.0014 0.0086 1989 CYS 128 CA -0.0118 -0.0002 0.0094 1990 CYS 128 C -0.0091 -0.0012 0.0103 1991 CYS 128 O -0.0081 0.0000 0.0111 1992 CYS 128 CB -0.0134 -0.0004 0.0086 1993 CYS 128 SG -0.0166 0.0010 0.0077 1994 CYS 128 H -0.0137 -0.0030 0.0077 1995 CYS 128 HA -0.0119 0.0018 0.0100 1996 CYS 128 HB3 -0.0126 0.0004 0.0093 1997 CYS 128 HB2 -0.0134 -0.0025 0.0080 1998 GLY 129 N -0.0199 0.0032 0.0141 1999 GLY 129 CA -0.0040 -0.0005 0.0157 2000 GLY 129 C 0.0082 -0.0069 0.0121 2001 GLY 129 O 0.0222 -0.0075 0.0175 2002 GLY 129 H -0.0275 -0.0004 0.0055 2003 GLY 129 HA3 -0.0004 0.0057 0.0261 2004 GLY 129 HA2 -0.0041 -0.0048 0.0096 2005 VAL 130 N 0.0050 -0.0122 -0.0017 2006 VAL 130 CA 0.0058 -0.0137 -0.0023 2007 VAL 130 C 0.0051 -0.0242 -0.0062 2008 VAL 130 O 0.0055 -0.0261 -0.0069 2009 VAL 130 CB -0.0026 -0.0081 0.0002 2010 VAL 130 CG1 -0.0013 0.0028 0.0042 2011 VAL 130 CG2 -0.0135 -0.0118 -0.0006 2012 VAL 130 OXT 0.0039 -0.0292 -0.0080 2013 VAL 130 H -0.0019 -0.0141 -0.0021 2014 VAL 130 HA 0.0134 -0.0108 -0.0017 2015 VAL 130 HB -0.0017 -0.0098 -0.0005 2016 VAL 130 HG11 -0.0073 0.0065 0.0058 2017 VAL 130 HG12 0.0064 0.0051 0.0046 2018 VAL 130 HG13 -0.0019 0.0047 0.0049 2019 VAL 130 HG21 -0.0194 -0.0078 0.0012 2020 VAL 130 HG22 -0.0145 -0.0105 -0.0000 2021 VAL 130 HG23 -0.0143 -0.0196 -0.0034