1 TRP 1 N -0.0190 -0.0216 -0.0170 2 TRP 1 CA -0.0174 -0.0220 -0.0058 3 TRP 1 C -0.0071 -0.0164 -0.0102 4 TRP 1 O 0.0043 -0.0112 -0.0055 5 TRP 1 CB -0.0309 -0.0288 -0.0054 6 TRP 1 CG -0.0302 -0.0294 0.0046 7 TRP 1 CD1 -0.0211 -0.0261 0.0158 8 TRP 1 CD2 -0.0386 -0.0336 0.0047 9 TRP 1 NE1 -0.0235 -0.0279 0.0226 10 TRP 1 CE2 -0.0341 -0.0326 0.0162 11 TRP 1 CE3 -0.0496 -0.0382 -0.0041 12 TRP 1 CZ2 -0.0404 -0.0360 0.0189 13 TRP 1 CZ3 -0.0559 -0.0417 -0.0014 14 TRP 1 CH2 -0.0513 -0.0405 0.0101 15 TRP 1 H1 -0.0097 -0.0167 -0.0199 16 TRP 1 H2 -0.0241 -0.0232 -0.0262 17 TRP 1 H3 -0.0241 -0.0246 -0.0128 18 TRP 1 HA -0.0147 -0.0217 0.0048 19 TRP 1 HB2 -0.0379 -0.0327 -0.0015 20 TRP 1 HB3 -0.0340 -0.0292 -0.0163 21 TRP 1 HD1 -0.0133 -0.0225 0.0188 22 TRP 1 HE1 -0.0183 -0.0262 0.0310 23 TRP 1 HE3 -0.0533 -0.0391 -0.0130 24 TRP 1 HZ2 -0.0368 -0.0351 0.0277 25 TRP 1 HZ3 -0.0644 -0.0452 -0.0082 26 TRP 1 HH2 -0.0562 -0.0432 0.0121 27 CYS 2 N 0.0024 -0.0026 -0.0246 28 CYS 2 CA 0.0072 0.0022 -0.0251 29 CYS 2 C 0.0079 0.0036 -0.0354 30 CYS 2 O 0.0029 -0.0011 -0.0405 31 CYS 2 CB 0.0041 -0.0013 -0.0193 32 CYS 2 SG -0.0038 -0.0088 -0.0252 33 CYS 2 H -0.0023 -0.0072 -0.0270 34 CYS 2 HA 0.0121 0.0069 -0.0219 35 CYS 2 HB2 0.0075 0.0021 -0.0186 36 CYS 2 HB3 0.0031 -0.0028 -0.0122 37 SER 3 N 0.0167 0.0095 -0.0276 38 SER 3 CA 0.0177 0.0094 -0.0324 39 SER 3 C 0.0167 0.0080 -0.0301 40 SER 3 O 0.0153 0.0037 -0.0316 41 SER 3 CB 0.0204 0.0152 -0.0346 42 SER 3 OG 0.0209 0.0191 -0.0299 43 SER 3 H 0.0177 0.0131 -0.0256 44 SER 3 HA 0.0173 0.0064 -0.0359 45 SER 3 HB2 0.0212 0.0155 -0.0381 46 SER 3 HB3 0.0211 0.0161 -0.0361 47 SER 3 HG 0.0210 0.0204 -0.0280 48 THR 4 N 0.0172 0.0146 -0.0091 49 THR 4 CA 0.0155 0.0128 -0.0076 50 THR 4 C 0.0145 0.0134 -0.0080 51 THR 4 O 0.0121 0.0137 -0.0081 52 THR 4 CB 0.0132 0.0126 -0.0073 53 THR 4 OG1 0.0123 0.0147 -0.0088 54 THR 4 CG2 0.0141 0.0112 -0.0064 55 THR 4 H 0.0163 0.0158 -0.0098 56 THR 4 HA 0.0167 0.0112 -0.0066 57 THR 4 HB 0.0115 0.0118 -0.0066 58 THR 4 HG1 0.0108 0.0145 -0.0086 59 THR 4 HG21 0.0162 0.0105 -0.0060 60 THR 4 HG22 0.0141 0.0122 -0.0071 61 THR 4 HG23 0.0128 0.0098 -0.0053 62 CYS 5 N 0.0054 0.0091 -0.0147 63 CYS 5 CA 0.0052 0.0071 -0.0118 64 CYS 5 C 0.0042 0.0052 -0.0123 65 CYS 5 O 0.0028 0.0037 -0.0146 66 CYS 5 CB 0.0044 0.0050 -0.0112 67 CYS 5 SG 0.0026 0.0035 -0.0149 68 CYS 5 H 0.0044 0.0083 -0.0168 69 CYS 5 HA 0.0064 0.0083 -0.0098 70 CYS 5 HB2 0.0041 0.0032 -0.0093 71 CYS 5 HB3 0.0053 0.0063 -0.0105 72 LEU 6 N 0.0029 0.0079 -0.0073 73 LEU 6 CA 0.0010 0.0080 -0.0090 74 LEU 6 C -0.0011 0.0063 -0.0072 75 LEU 6 O -0.0009 0.0052 -0.0047 76 LEU 6 CB 0.0031 0.0092 -0.0098 77 LEU 6 CG 0.0056 0.0107 -0.0109 78 LEU 6 CD1 0.0073 0.0121 -0.0123 79 LEU 6 CD2 0.0044 0.0113 -0.0130 80 LEU 6 H 0.0048 0.0082 -0.0063 81 LEU 6 HA -0.0002 0.0084 -0.0108 82 LEU 6 HB2 0.0039 0.0087 -0.0080 83 LEU 6 HB3 0.0019 0.0096 -0.0114 84 LEU 6 HG 0.0070 0.0104 -0.0092 85 LEU 6 HD11 0.0073 0.0115 -0.0112 86 LEU 6 HD12 0.0064 0.0128 -0.0144 87 LEU 6 HD13 0.0095 0.0129 -0.0121 88 LEU 6 HD21 0.0022 0.0109 -0.0139 89 LEU 6 HD22 0.0044 0.0108 -0.0120 90 LEU 6 HD23 0.0057 0.0126 -0.0147 91 ASP 7 N -0.0174 0.0041 -0.0116 92 ASP 7 CA -0.0237 0.0006 -0.0071 93 ASP 7 C -0.0199 0.0010 -0.0069 94 ASP 7 O -0.0244 -0.0011 -0.0044 95 ASP 7 CB -0.0333 0.0021 -0.0121 96 ASP 7 CG -0.0409 -0.0020 -0.0071 97 ASP 7 OD1 -0.0403 -0.0062 0.0003 98 ASP 7 OD2 -0.0472 -0.0008 -0.0108 99 ASP 7 H -0.0180 0.0076 -0.0176 100 ASP 7 HA -0.0245 -0.0031 -0.0010 101 ASP 7 HB2 -0.0350 0.0027 -0.0136 102 ASP 7 HB3 -0.0329 0.0054 -0.0178 103 LEU 8 N -0.0086 0.0072 -0.0060 104 LEU 8 CA -0.0055 0.0077 -0.0065 105 LEU 8 C -0.0025 0.0050 -0.0041 106 LEU 8 O -0.0012 0.0038 -0.0030 107 LEU 8 CB -0.0033 0.0107 -0.0092 108 LEU 8 CG -0.0064 0.0134 -0.0116 109 LEU 8 CD1 -0.0046 0.0160 -0.0140 110 LEU 8 CD2 -0.0075 0.0144 -0.0125 111 LEU 8 H -0.0078 0.0078 -0.0066 112 LEU 8 HA -0.0071 0.0080 -0.0067 113 LEU 8 HB2 -0.0018 0.0104 -0.0090 114 LEU 8 HB3 -0.0010 0.0112 -0.0097 115 LEU 8 HG -0.0092 0.0126 -0.0108 116 LEU 8 HD11 -0.0013 0.0162 -0.0142 117 LEU 8 HD12 -0.0061 0.0182 -0.0159 118 LEU 8 HD13 -0.0049 0.0157 -0.0136 119 LEU 8 HD21 -0.0068 0.0126 -0.0109 120 LEU 8 HD22 -0.0108 0.0150 -0.0130 121 LEU 8 HD23 -0.0058 0.0164 -0.0143 122 ALA 9 N -0.0052 0.0051 -0.0036 123 ALA 9 CA -0.0008 0.0017 0.0003 124 ALA 9 C 0.0057 0.0037 -0.0009 125 ALA 9 O 0.0072 0.0074 -0.0044 126 ALA 9 CB -0.0016 -0.0002 0.0021 127 ALA 9 H -0.0070 0.0062 -0.0049 128 ALA 9 HA -0.0019 -0.0008 0.0027 129 ALA 9 HB1 -0.0008 0.0024 -0.0003 130 ALA 9 HB2 0.0015 -0.0026 0.0049 131 ALA 9 HB3 -0.0062 -0.0016 0.0030 132 CYS 10 N 0.0062 0.0048 0.0026 133 CYS 10 CA 0.0127 0.0064 0.0015 134 CYS 10 C 0.0158 0.0064 0.0017 135 CYS 10 O 0.0128 0.0062 0.0017 136 CYS 10 CB 0.0156 0.0035 0.0052 137 CYS 10 SG 0.0160 -0.0012 0.0107 138 CYS 10 H 0.0050 0.0021 0.0057 139 CYS 10 HA 0.0130 0.0093 -0.0020 140 CYS 10 HB2 0.0201 0.0047 0.0042 141 CYS 10 HB3 0.0128 0.0030 0.0054 142 GLY 11 N 0.0146 0.0027 -0.0132 143 GLY 11 CA 0.0195 0.0044 -0.0205 144 GLY 11 C 0.0221 0.0039 -0.0242 145 GLY 11 O 0.0263 0.0027 -0.0302 146 GLY 11 H 0.0140 -0.0020 -0.0116 147 GLY 11 HA2 0.0211 0.0000 -0.0224 148 GLY 11 HA3 0.0195 0.0104 -0.0213 149 ALA 12 N 0.0201 0.0060 -0.0268 150 ALA 12 CA 0.0177 0.0078 -0.0225 151 ALA 12 C 0.0121 0.0087 -0.0197 152 ALA 12 O 0.0124 0.0099 -0.0169 153 ALA 12 CB 0.0227 0.0098 -0.0183 154 ALA 12 H 0.0192 0.0060 -0.0266 155 ALA 12 HA 0.0167 0.0070 -0.0242 156 ALA 12 HB1 0.0263 0.0094 -0.0195 157 ALA 12 HB2 0.0210 0.0115 -0.0143 158 ALA 12 HB3 0.0242 0.0099 -0.0182 159 SER 13 N -0.0037 0.0180 -0.0178 160 SER 13 CA -0.0068 0.0194 -0.0174 161 SER 13 C -0.0039 0.0153 -0.0100 162 SER 13 O -0.0023 0.0147 -0.0105 163 SER 13 CB -0.0159 0.0234 -0.0160 164 SER 13 OG -0.0195 0.0251 -0.0159 165 SER 13 H -0.0072 0.0201 -0.0187 166 SER 13 HA -0.0048 0.0205 -0.0233 167 SER 13 HB2 -0.0178 0.0261 -0.0210 168 SER 13 HB3 -0.0178 0.0221 -0.0100 169 SER 13 HG -0.0248 0.0266 -0.0129 170 ARG 14 N -0.0137 0.0359 -0.0207 171 ARG 14 CA -0.0059 0.0203 -0.0019 172 ARG 14 C 0.0199 -0.0000 -0.0146 173 ARG 14 O 0.0274 -0.0063 -0.0173 174 ARG 14 CB -0.0107 0.0121 0.0291 175 ARG 14 CG -0.0127 0.0042 0.0527 176 ARG 14 CD -0.0087 -0.0116 0.0812 177 ARG 14 NE -0.0308 0.0040 0.0964 178 ARG 14 CZ -0.0485 0.0156 0.1109 179 ARG 14 NH1 -0.0470 0.0134 0.1123 180 ARG 14 NH2 -0.0678 0.0292 0.1242 181 ARG 14 H -0.0182 0.0371 -0.0128 182 ARG 14 HA -0.0156 0.0294 -0.0006 183 ARG 14 HB2 -0.0267 0.0261 0.0338 184 ARG 14 HB3 0.0032 -0.0019 0.0298 185 ARG 14 HG2 0.0001 -0.0049 0.0442 186 ARG 14 HG3 -0.0296 0.0189 0.0579 187 ARG 14 HD2 0.0052 -0.0230 0.0755 188 ARG 14 HD3 -0.0050 -0.0212 0.0954 189 ARG 14 HE -0.0321 0.0057 0.0954 190 ARG 14 HH11 -0.0322 0.0030 0.1022 191 ARG 14 HH12 -0.0606 0.0223 0.1235 192 ARG 14 HH21 -0.0690 0.0309 0.1232 193 ARG 14 HH22 -0.0814 0.0381 0.1353 194 GLU 15 N 0.0190 0.0083 -0.0123 195 GLU 15 CA 0.0197 0.0094 -0.0116 196 GLU 15 C 0.0193 0.0091 -0.0105 197 GLU 15 O 0.0196 0.0096 -0.0093 198 GLU 15 CB 0.0203 0.0100 -0.0128 199 GLU 15 CG 0.0212 0.0112 -0.0123 200 GLU 15 CD 0.0219 0.0119 -0.0136 201 GLU 15 OE1 0.0216 0.0114 -0.0147 202 GLU 15 OE2 0.0227 0.0129 -0.0134 203 GLU 15 H 0.0190 0.0082 -0.0134 204 GLU 15 HA 0.0201 0.0100 -0.0111 205 GLU 15 HB2 0.0205 0.0100 -0.0137 206 GLU 15 HB3 0.0200 0.0095 -0.0132 207 GLU 15 HG2 0.0210 0.0112 -0.0116 208 GLU 15 HG3 0.0214 0.0116 -0.0117 209 CYS 16 N 0.0116 0.0125 -0.0175 210 CYS 16 CA 0.0110 0.0124 -0.0176 211 CYS 16 C 0.0111 0.0130 -0.0179 212 CYS 16 O 0.0106 0.0131 -0.0181 213 CYS 16 CB 0.0112 0.0117 -0.0171 214 CYS 16 SG 0.0110 0.0111 -0.0167 215 CYS 16 H 0.0121 0.0123 -0.0173 216 CYS 16 HA 0.0104 0.0123 -0.0176 217 CYS 16 HB2 0.0118 0.0118 -0.0170 218 CYS 16 HB3 0.0108 0.0117 -0.0171 219 TYR 17 N 0.0094 0.0122 -0.0172 220 TYR 17 CA 0.0081 0.0112 -0.0156 221 TYR 17 C 0.0097 0.0102 -0.0135 222 TYR 17 O 0.0095 0.0096 -0.0123 223 TYR 17 CB 0.0059 0.0108 -0.0152 224 TYR 17 CG 0.0045 0.0096 -0.0135 225 TYR 17 CD1 0.0054 0.0086 -0.0114 226 TYR 17 CD2 0.0023 0.0096 -0.0139 227 TYR 17 CE1 0.0041 0.0075 -0.0097 228 TYR 17 CE2 0.0010 0.0086 -0.0123 229 TYR 17 CZ 0.0020 0.0075 -0.0102 230 TYR 17 OH 0.0007 0.0065 -0.0086 231 TYR 17 H 0.0089 0.0124 -0.0176 232 TYR 17 HA 0.0076 0.0115 -0.0161 233 TYR 17 HB2 0.0047 0.0114 -0.0167 234 TYR 17 HB3 0.0064 0.0106 -0.0148 235 TYR 17 HD1 0.0071 0.0086 -0.0110 236 TYR 17 HD2 0.0016 0.0105 -0.0156 237 TYR 17 HE1 0.0048 0.0067 -0.0081 238 TYR 17 HE2 -0.0006 0.0086 -0.0127 239 TYR 17 HH -0.0001 0.0061 -0.0079 240 ASP 18 N 0.0090 0.0122 -0.0133 241 ASP 18 CA 0.0108 0.0107 -0.0112 242 ASP 18 C 0.0119 0.0102 -0.0144 243 ASP 18 O 0.0110 0.0108 -0.0140 244 ASP 18 CB 0.0140 0.0083 -0.0093 245 ASP 18 CG 0.0138 0.0081 -0.0045 246 ASP 18 OD1 0.0124 0.0090 -0.0029 247 ASP 18 OD2 0.0150 0.0071 -0.0024 248 ASP 18 H 0.0100 0.0114 -0.0135 249 ASP 18 HA 0.0092 0.0117 -0.0087 250 ASP 18 HB2 0.0141 0.0083 -0.0102 251 ASP 18 HB3 0.0164 0.0068 -0.0106 252 PRO 19 N 0.0104 0.0154 -0.0143 253 PRO 19 CA 0.0092 0.0158 -0.0117 254 PRO 19 C 0.0084 0.0131 -0.0104 255 PRO 19 O 0.0075 0.0128 -0.0084 256 PRO 19 CB 0.0094 0.0168 -0.0121 257 PRO 19 CG 0.0106 0.0158 -0.0146 258 PRO 19 CD 0.0113 0.0155 -0.0161 259 PRO 19 HA 0.0088 0.0173 -0.0107 260 PRO 19 HB2 0.0087 0.0160 -0.0108 261 PRO 19 HB3 0.0095 0.0190 -0.0121 262 PRO 19 HG2 0.0104 0.0138 -0.0145 263 PRO 19 HG3 0.0111 0.0172 -0.0155 264 PRO 19 HD2 0.0118 0.0137 -0.0173 265 PRO 19 HD3 0.0119 0.0173 -0.0172 266 CYS 20 N 0.0087 0.0121 -0.0109 267 CYS 20 CA 0.0072 0.0091 -0.0098 268 CYS 20 C 0.0059 0.0059 -0.0071 269 CYS 20 O 0.0051 0.0038 -0.0048 270 CYS 20 CB 0.0059 0.0077 -0.0141 271 CYS 20 SG 0.0042 0.0043 -0.0133 272 CYS 20 H 0.0089 0.0132 -0.0138 273 CYS 20 HA 0.0080 0.0102 -0.0082 274 CYS 20 HB2 0.0069 0.0100 -0.0161 275 CYS 20 HB3 0.0050 0.0064 -0.0155 276 PHE 21 N 0.0075 0.0067 -0.0066 277 PHE 21 CA 0.0065 0.0036 -0.0044 278 PHE 21 C 0.0062 0.0071 0.0008 279 PHE 21 O 0.0049 0.0047 0.0050 280 PHE 21 CB 0.0075 0.0031 -0.0096 281 PHE 21 CG 0.0067 0.0009 -0.0076 282 PHE 21 CD1 0.0051 -0.0030 -0.0028 283 PHE 21 CD2 0.0076 0.0028 -0.0104 284 PHE 21 CE1 0.0044 -0.0050 -0.0009 285 PHE 21 CE2 0.0069 0.0008 -0.0084 286 PHE 21 CZ 0.0053 -0.0031 -0.0037 287 PHE 21 H 0.0086 0.0096 -0.0098 288 PHE 21 HA 0.0055 -0.0008 -0.0030 289 PHE 21 HB2 0.0076 -0.0001 -0.0129 290 PHE 21 HB3 0.0086 0.0073 -0.0115 291 PHE 21 HD1 0.0045 -0.0044 -0.0007 292 PHE 21 HD2 0.0088 0.0057 -0.0140 293 PHE 21 HE1 0.0032 -0.0079 0.0027 294 PHE 21 HE2 0.0075 0.0022 -0.0106 295 PHE 21 HZ 0.0048 -0.0046 -0.0023 296 LYS 22 N 0.0071 0.0092 0.0013 297 LYS 22 CA 0.0064 0.0136 0.0064 298 LYS 22 C 0.0054 0.0150 0.0134 299 LYS 22 O 0.0046 0.0166 0.0190 300 LYS 22 CB 0.0070 0.0207 0.0025 301 LYS 22 CG 0.0071 0.0217 0.0015 302 LYS 22 CD 0.0081 0.0253 -0.0057 303 LYS 22 CE 0.0080 0.0325 -0.0045 304 LYS 22 NZ 0.0088 0.0329 -0.0105 305 LYS 22 H 0.0077 0.0117 -0.0026 306 LYS 22 HA 0.0062 0.0108 0.0076 307 LYS 22 HB2 0.0077 0.0207 -0.0027 308 LYS 22 HB3 0.0065 0.0252 0.0057 309 LYS 22 HG2 0.0065 0.0250 0.0058 310 LYS 22 HG3 0.0071 0.0164 0.0016 311 LYS 22 HD2 0.0086 0.0217 -0.0090 312 LYS 22 HD3 0.0085 0.0265 -0.0084 313 LYS 22 HE2 0.0080 0.0370 -0.0047 314 LYS 22 HE3 0.0072 0.0323 0.0006 315 LYS 22 HZ1 0.0088 0.0283 -0.0104 316 LYS 22 HZ2 0.0095 0.0331 -0.0154 317 LYS 22 HZ3 0.0087 0.0375 -0.0099 318 ALA 23 N 0.0076 0.0110 0.0067 319 ALA 23 CA 0.0079 0.0124 0.0110 320 ALA 23 C 0.0056 0.0065 0.0142 321 ALA 23 O 0.0051 0.0061 0.0201 322 ALA 23 CB 0.0090 0.0150 0.0065 323 ALA 23 H 0.0075 0.0101 0.0020 324 ALA 23 HA 0.0089 0.0158 0.0147 325 ALA 23 HB1 0.0089 0.0139 0.0015 326 ALA 23 HB2 0.0082 0.0130 0.0077 327 ALA 23 HB3 0.0108 0.0200 0.0072 328 PHE 24 N 0.0120 0.0001 0.0162 329 PHE 24 CA 0.0076 -0.0041 0.0175 330 PHE 24 C 0.0031 -0.0093 0.0215 331 PHE 24 O 0.0009 -0.0125 0.0260 332 PHE 24 CB 0.0048 -0.0044 0.0098 333 PHE 24 CG 0.0092 0.0005 0.0063 334 PHE 24 CD1 0.0125 0.0023 0.0102 335 PHE 24 CD2 0.0100 0.0033 -0.0009 336 PHE 24 CE1 0.0166 0.0069 0.0070 337 PHE 24 CE2 0.0141 0.0078 -0.0041 338 PHE 24 CZ 0.0174 0.0096 -0.0002 339 PHE 24 H 0.0113 0.0008 0.0116 340 PHE 24 HA 0.0097 -0.0032 0.0208 341 PHE 24 HB2 0.0032 -0.0048 0.0063 342 PHE 24 HB3 0.0012 -0.0077 0.0102 343 PHE 24 HD1 0.0119 0.0002 0.0158 344 PHE 24 HD2 0.0075 0.0019 -0.0040 345 PHE 24 HE1 0.0192 0.0082 0.0100 346 PHE 24 HE2 0.0148 0.0100 -0.0097 347 PHE 24 HZ 0.0206 0.0132 -0.0027 348 GLY 25 N 0.0003 -0.0071 0.0223 349 GLY 25 CA -0.0026 -0.0114 0.0245 350 GLY 25 C -0.0030 -0.0200 0.0147 351 GLY 25 O -0.0036 -0.0225 0.0129 352 GLY 25 H 0.0046 -0.0030 0.0162 353 GLY 25 HA2 0.0002 -0.0049 0.0253 354 GLY 25 HA3 -0.0072 -0.0149 0.0320 355 ARG 26 N 0.0049 -0.0157 0.0212 356 ARG 26 CA -0.0042 -0.0332 -0.0030 357 ARG 26 C -0.0071 -0.0126 -0.0281 358 ARG 26 O -0.0030 0.0063 -0.0245 359 ARG 26 CB -0.0038 -0.0506 0.0098 360 ARG 26 CG -0.0009 -0.0710 0.0348 361 ARG 26 CD -0.0045 -0.0977 0.0381 362 ARG 26 NE -0.0010 -0.1152 0.0636 363 ARG 26 CZ -0.0044 -0.1426 0.0682 364 ARG 26 NH1 -0.0110 -0.1548 0.0505 365 ARG 26 NH2 -0.0013 -0.1577 0.0905 366 ARG 26 H 0.0096 -0.0010 0.0299 367 ARG 26 HA -0.0085 -0.0481 -0.0103 368 ARG 26 HB2 0.0007 -0.0355 0.0178 369 ARG 26 HB3 -0.0102 -0.0636 -0.0067 370 ARG 26 HG2 -0.0033 -0.0783 0.0303 371 ARG 26 HG3 0.0061 -0.0592 0.0546 372 ARG 26 HD2 -0.0024 -0.0907 0.0420 373 ARG 26 HD3 -0.0116 -0.1106 0.0190 374 ARG 26 HE 0.0039 -0.1061 0.0769 375 ARG 26 HH11 -0.0134 -0.1432 0.0333 376 ARG 26 HH12 -0.0136 -0.1757 0.0541 377 ARG 26 HH21 0.0037 -0.1484 0.1041 378 ARG 26 HH22 -0.0039 -0.1787 0.0941 379 ALA 27 N -0.0040 -0.0108 -0.0100 380 ALA 27 CA -0.0029 -0.0081 -0.0152 381 ALA 27 C -0.0045 -0.0104 -0.0189 382 ALA 27 O -0.0058 -0.0121 -0.0230 383 ALA 27 CB -0.0032 -0.0083 -0.0176 384 ALA 27 H -0.0051 -0.0128 -0.0093 385 ALA 27 HA -0.0008 -0.0046 -0.0146 386 ALA 27 HB1 -0.0035 -0.0093 -0.0145 387 ALA 27 HB2 -0.0049 -0.0108 -0.0207 388 ALA 27 HB3 -0.0014 -0.0049 -0.0193 389 HIS 28 N -0.0101 -0.0155 -0.0162 390 HIS 28 CA -0.0138 -0.0157 -0.0227 391 HIS 28 C -0.0084 -0.0021 -0.0220 392 HIS 28 O -0.0024 -0.0006 -0.0122 393 HIS 28 CB -0.0142 -0.0284 -0.0149 394 HIS 28 CG -0.0214 -0.0345 -0.0239 395 HIS 28 ND1 -0.0257 -0.0487 -0.0221 396 HIS 28 CD2 -0.0252 -0.0284 -0.0347 397 HIS 28 CE1 -0.0317 -0.0507 -0.0317 398 HIS 28 NE2 -0.0317 -0.0387 -0.0396 399 HIS 28 H -0.0043 -0.0127 -0.0076 400 HIS 28 HA -0.0199 -0.0171 -0.0328 401 HIS 28 HB2 -0.0148 -0.0363 -0.0109 402 HIS 28 HB3 -0.0086 -0.0251 -0.0071 403 HIS 28 HD1 -0.0245 -0.0560 -0.0152 404 HIS 28 HD2 -0.0233 -0.0174 -0.0388 405 HIS 28 HE1 -0.0360 -0.0609 -0.0328 406 GLY 29 N -0.0034 0.0026 -0.0151 407 GLY 29 CA -0.0026 0.0081 -0.0133 408 GLY 29 C -0.0085 0.0127 -0.0118 409 GLY 29 O -0.0126 0.0121 -0.0120 410 GLY 29 H -0.0079 0.0013 -0.0155 411 GLY 29 HA2 0.0021 0.0106 -0.0125 412 GLY 29 HA3 -0.0024 0.0064 -0.0139 413 LYS 30 N -0.0053 0.0073 0.0058 414 LYS 30 CA -0.0143 0.0146 0.0084 415 LYS 30 C -0.0058 0.0075 0.0061 416 LYS 30 O 0.0066 -0.0027 0.0027 417 LYS 30 CB -0.0166 0.0328 -0.0012 418 LYS 30 CG -0.0329 0.0420 0.0059 419 LYS 30 CD -0.0344 0.0594 -0.0038 420 LYS 30 CE -0.0473 0.0712 -0.0010 421 LYS 30 NZ -0.0599 0.0769 0.0054 422 LYS 30 H 0.0057 0.0045 -0.0011 423 LYS 30 HA -0.0251 0.0127 0.0181 424 LYS 30 HB2 -0.0092 0.0348 -0.0083 425 LYS 30 HB3 -0.0142 0.0371 -0.0058 426 LYS 30 HG2 -0.0401 0.0421 0.0115 427 LYS 30 HG3 -0.0362 0.0360 0.0123 428 LYS 30 HD2 -0.0368 0.0610 -0.0030 429 LYS 30 HD3 -0.0241 0.0616 -0.0134 430 LYS 30 HE2 -0.0441 0.0813 -0.0099 431 LYS 30 HE3 -0.0505 0.0651 0.0053 432 LYS 30 HZ1 -0.0557 0.0784 0.0011 433 LYS 30 HZ2 -0.0674 0.0879 0.0045 434 LYS 30 HZ3 -0.0654 0.0684 0.0151 435 CYS 31 N 0.0147 0.0084 0.0102 436 CYS 31 CA 0.0138 0.0028 0.0108 437 CYS 31 C 0.0117 -0.0017 0.0099 438 CYS 31 O 0.0136 -0.0033 0.0123 439 CYS 31 CB 0.0178 0.0016 0.0154 440 CYS 31 SG 0.0173 -0.0057 0.0168 441 CYS 31 H 0.0170 0.0093 0.0125 442 CYS 31 HA 0.0119 0.0029 0.0088 443 CYS 31 HB2 0.0190 0.0043 0.0159 444 CYS 31 HB3 0.0199 0.0023 0.0174 445 MET 32 N 0.0060 0.0052 0.0116 446 MET 32 CA 0.0044 0.0027 0.0135 447 MET 32 C -0.0012 -0.0038 0.0135 448 MET 32 O -0.0044 -0.0057 0.0082 449 MET 32 CB 0.0053 0.0059 0.0073 450 MET 32 CG 0.0064 0.0062 0.0102 451 MET 32 SD 0.0062 0.0086 0.0026 452 MET 32 CE 0.0094 0.0105 0.0079 453 MET 32 H 0.0042 0.0048 0.0070 454 MET 32 HA 0.0067 0.0036 0.0187 455 MET 32 HB2 0.0085 0.0103 0.0055 456 MET 32 HB3 0.0020 0.0036 0.0028 457 MET 32 HG2 0.0036 0.0019 0.0131 458 MET 32 HG3 0.0101 0.0092 0.0140 459 MET 32 HE1 0.0091 0.0082 0.0135 460 MET 32 HE2 0.0134 0.0151 0.0079 461 MET 32 HE3 0.0078 0.0093 0.0056 462 ASN 33 N 0.0011 -0.0255 0.0278 463 ASN 33 CA -0.0065 -0.0332 0.0285 464 ASN 33 C -0.0067 -0.0311 0.0266 465 ASN 33 O -0.0141 -0.0321 0.0218 466 ASN 33 CB -0.0158 -0.0340 0.0221 467 ASN 33 CG -0.0218 -0.0441 0.0260 468 ASN 33 OD1 -0.0193 -0.0501 0.0329 469 ASN 33 ND2 -0.0296 -0.0461 0.0218 470 ASN 33 H 0.0064 -0.0264 0.0327 471 ASN 33 HA -0.0054 -0.0395 0.0346 472 ASN 33 HB2 -0.0142 -0.0301 0.0200 473 ASN 33 HB3 -0.0197 -0.0314 0.0169 474 ASN 33 HD21 -0.0316 -0.0413 0.0162 475 ASN 33 HD22 -0.0335 -0.0526 0.0242 476 ASN 34 N 0.0006 -0.0268 0.0288 477 ASN 34 CA 0.0017 -0.0227 0.0264 478 ASN 34 C -0.0038 -0.0123 0.0154 479 ASN 34 O -0.0065 -0.0093 0.0115 480 ASN 34 CB -0.0062 -0.0337 0.0298 481 ASN 34 CG -0.0026 -0.0447 0.0401 482 ASN 34 OD1 -0.0103 -0.0547 0.0429 483 ASN 34 ND2 0.0088 -0.0434 0.0461 484 ASN 34 H 0.0083 -0.0267 0.0334 485 ASN 34 HA 0.0115 -0.0201 0.0305 486 ASN 34 HB2 -0.0162 -0.0352 0.0248 487 ASN 34 HB3 -0.0043 -0.0321 0.0298 488 ASN 34 HD21 0.0151 -0.0353 0.0439 489 ASN 34 HD22 0.0112 -0.0504 0.0528 490 LYS 35 N 0.0003 -0.0113 0.0159 491 LYS 35 CA -0.0022 -0.0063 0.0095 492 LYS 35 C 0.0029 -0.0013 0.0075 493 LYS 35 O 0.0062 -0.0022 0.0104 494 LYS 35 CB -0.0094 -0.0088 0.0075 495 LYS 35 CG -0.0145 -0.0135 0.0092 496 LYS 35 CD -0.0221 -0.0142 0.0053 497 LYS 35 CE -0.0271 -0.0182 0.0063 498 LYS 35 NZ -0.0342 -0.0180 0.0019 499 LYS 35 H 0.0020 -0.0125 0.0182 500 LYS 35 HA -0.0027 -0.0049 0.0077 501 LYS 35 HB2 -0.0089 -0.0106 0.0097 502 LYS 35 HB3 -0.0114 -0.0053 0.0029 503 LYS 35 HG2 -0.0135 -0.0122 0.0085 504 LYS 35 HG3 -0.0138 -0.0176 0.0137 505 LYS 35 HD2 -0.0234 -0.0161 0.0065 506 LYS 35 HD3 -0.0226 -0.0100 0.0008 507 LYS 35 HE2 -0.0256 -0.0166 0.0056 508 LYS 35 HE3 -0.0272 -0.0226 0.0106 509 LYS 35 HZ1 -0.0337 -0.0138 -0.0021 510 LYS 35 HZ2 -0.0376 -0.0196 0.0013 511 LYS 35 HZ3 -0.0362 -0.0207 0.0032 512 CYS 36 N 0.0026 0.0052 -0.0005 513 CYS 36 CA 0.0058 0.0073 -0.0018 514 CYS 36 C 0.0053 0.0078 -0.0034 515 CYS 36 O 0.0028 0.0076 -0.0055 516 CYS 36 CB 0.0062 0.0088 -0.0045 517 CYS 36 SG 0.0090 0.0092 -0.0026 518 CYS 36 H 0.0010 0.0051 -0.0019 519 CYS 36 HA 0.0079 0.0074 0.0003 520 CYS 36 HB2 0.0037 0.0081 -0.0055 521 CYS 36 HB3 0.0072 0.0102 -0.0065 522 ARG 37 N 0.0033 0.0105 -0.0053 523 ARG 37 CA 0.0062 0.0116 -0.0082 524 ARG 37 C 0.0074 0.0132 -0.0088 525 ARG 37 O 0.0071 0.0160 -0.0073 526 ARG 37 CB 0.0069 0.0146 -0.0078 527 ARG 37 CG 0.0099 0.0163 -0.0104 528 ARG 37 CD 0.0106 0.0201 -0.0096 529 ARG 37 NE 0.0135 0.0217 -0.0123 530 ARG 37 CZ 0.0146 0.0252 -0.0121 531 ARG 37 NH1 0.0132 0.0274 -0.0096 532 ARG 37 NH2 0.0172 0.0265 -0.0144 533 ARG 37 H 0.0023 0.0123 -0.0035 534 ARG 37 HA 0.0070 0.0093 -0.0099 535 ARG 37 HB2 0.0063 0.0134 -0.0075 536 ARG 37 HB3 0.0060 0.0167 -0.0058 537 ARG 37 HG2 0.0107 0.0165 -0.0112 538 ARG 37 HG3 0.0109 0.0146 -0.0121 539 ARG 37 HD2 0.0100 0.0199 -0.0091 540 ARG 37 HD3 0.0096 0.0219 -0.0078 541 ARG 37 HE 0.0146 0.0200 -0.0141 542 ARG 37 HH11 0.0112 0.0264 -0.0078 543 ARG 37 HH12 0.0140 0.0301 -0.0095 544 ARG 37 HH21 0.0183 0.0248 -0.0163 545 ARG 37 HH22 0.0180 0.0292 -0.0143 546 CYS 38 N 0.0061 0.0130 -0.0103 547 CYS 38 CA 0.0058 0.0102 -0.0099 548 CYS 38 C 0.0083 0.0109 -0.0092 549 CYS 38 O 0.0107 0.0129 -0.0087 550 CYS 38 CB 0.0067 0.0069 -0.0091 551 CYS 38 SG 0.0042 0.0066 -0.0099 552 CYS 38 H 0.0075 0.0128 -0.0098 553 CYS 38 HA 0.0034 0.0099 -0.0108 554 CYS 38 HB2 0.0093 0.0071 -0.0082 555 CYS 38 HB3 0.0062 0.0047 -0.0089 556 TYR 39 N 0.0108 0.0085 -0.0068 557 TYR 39 CA 0.0153 0.0089 -0.0046 558 TYR 39 C 0.0166 0.0016 -0.0027 559 TYR 39 O 0.0131 -0.0035 -0.0038 560 TYR 39 CB 0.0119 0.0128 -0.0069 561 TYR 39 CG 0.0066 0.0080 -0.0089 562 TYR 39 CD1 0.0079 0.0030 -0.0075 563 TYR 39 CD2 0.0005 0.0087 -0.0122 564 TYR 39 CE1 0.0030 -0.0014 -0.0094 565 TYR 39 CE2 -0.0044 0.0043 -0.0141 566 TYR 39 CZ -0.0032 -0.0008 -0.0127 567 TYR 39 OH -0.0081 -0.0051 -0.0146 568 TYR 39 H 0.0071 0.0051 -0.0082 569 TYR 39 HA 0.0195 0.0119 -0.0028 570 TYR 39 HB2 0.0152 0.0142 -0.0054 571 TYR 39 HB3 0.0101 0.0174 -0.0086 572 TYR 39 HD1 0.0126 0.0025 -0.0049 573 TYR 39 HD2 -0.0005 0.0126 -0.0133 574 TYR 39 HE1 0.0039 -0.0053 -0.0083 575 TYR 39 HE2 -0.0092 0.0048 -0.0167 576 TYR 39 HH -0.0101 -0.0026 -0.0160 577 THR 40 N 0.0218 -0.0022 0.0016 578 THR 40 CA 0.0249 -0.0135 0.0042 579 THR 40 C 0.0275 -0.0143 0.0059 580 THR 40 O 0.0276 -0.0058 0.0055 581 THR 40 CB 0.0334 -0.0153 0.0097 582 THR 40 OG1 0.0408 -0.0079 0.0140 583 THR 40 CG2 0.0309 -0.0131 0.0080 584 THR 40 OXT 0.0294 -0.0233 0.0077 585 THR 40 H 0.0259 0.0043 0.0038 586 THR 40 HA 0.0194 -0.0195 0.0011 587 THR 40 HB 0.0356 -0.0237 0.0116 588 THR 40 HG1 0.0381 -0.0009 0.0119 589 THR 40 HG21 0.0244 -0.0087 0.0036 590 THR 40 HG22 0.0364 -0.0082 0.0112 591 THR 40 HG23 0.0300 -0.0209 0.0079