1 MET 1 N 0.0238 0.0053 -0.0028 2 MET 1 CA 0.0224 0.0045 -0.0058 3 MET 1 C 0.0190 0.0040 -0.0018 4 MET 1 O 0.0163 0.0036 0.0018 5 MET 1 CB 0.0195 0.0029 -0.0110 6 MET 1 CG 0.0137 0.0012 -0.0101 7 MET 1 SD 0.0112 -0.0004 -0.0167 8 MET 1 CE 0.0044 -0.0022 -0.0147 9 GLN 2 N 0.0154 0.0008 0.0013 10 GLN 2 CA 0.0118 0.0011 0.0036 11 GLN 2 C 0.0082 -0.0012 0.0019 12 GLN 2 O 0.0082 -0.0033 -0.0013 13 GLN 2 CB 0.0123 0.0018 0.0042 14 GLN 2 CG 0.0088 0.0016 0.0058 15 GLN 2 CD 0.0099 0.0024 0.0064 16 GLN 2 OE1 0.0099 0.0044 0.0094 17 GLN 2 NE2 0.0108 0.0008 0.0035 18 ILE 3 N 0.0013 -0.0037 0.0074 19 ILE 3 CA -0.0015 -0.0056 0.0066 20 ILE 3 C -0.0041 -0.0050 0.0089 21 ILE 3 O -0.0034 -0.0031 0.0110 22 ILE 3 CB -0.0022 -0.0064 0.0060 23 ILE 3 CG1 -0.0025 -0.0047 0.0084 24 ILE 3 CG2 0.0002 -0.0073 0.0033 25 ILE 3 CD1 -0.0041 -0.0056 0.0081 26 PHE 4 N -0.0093 -0.0073 0.0101 27 PHE 4 CA -0.0109 -0.0072 0.0121 28 PHE 4 C -0.0125 -0.0084 0.0124 29 PHE 4 O -0.0129 -0.0097 0.0110 30 PHE 4 CB -0.0114 -0.0078 0.0119 31 PHE 4 CG -0.0098 -0.0067 0.0115 32 PHE 4 CD1 -0.0088 -0.0072 0.0096 33 PHE 4 CD2 -0.0094 -0.0052 0.0132 34 PHE 4 CE1 -0.0073 -0.0061 0.0093 35 PHE 4 CE2 -0.0079 -0.0041 0.0129 36 PHE 4 CZ -0.0070 -0.0047 0.0109 37 VAL 5 N -0.0134 -0.0099 0.0127 38 VAL 5 CA -0.0118 -0.0082 0.0123 39 VAL 5 C -0.0127 -0.0078 0.0108 40 VAL 5 O -0.0139 -0.0076 0.0091 41 VAL 5 CB -0.0109 -0.0068 0.0114 42 VAL 5 CG1 -0.0093 -0.0051 0.0110 43 VAL 5 CG2 -0.0102 -0.0072 0.0129 44 LYS 6 N -0.0131 -0.0068 0.0113 45 LYS 6 CA -0.0110 -0.0066 0.0107 46 LYS 6 C -0.0049 -0.0060 0.0069 47 LYS 6 O -0.0003 -0.0053 0.0086 48 LYS 6 CB -0.0102 -0.0063 0.0174 49 LYS 6 CG -0.0085 -0.0061 0.0182 50 LYS 6 CD -0.0084 -0.0058 0.0254 51 LYS 6 CE -0.0077 -0.0057 0.0268 52 LYS 6 NZ -0.0069 -0.0054 0.0339 53 THR 7 N -0.0068 -0.0044 -0.0007 54 THR 7 CA -0.0005 -0.0019 -0.0053 55 THR 7 C 0.0052 0.0014 -0.0063 56 THR 7 O 0.0036 0.0009 -0.0046 57 THR 7 CB -0.0019 -0.0056 -0.0135 58 THR 7 OG1 -0.0020 -0.0070 -0.0177 59 THR 7 CG2 -0.0089 -0.0099 -0.0131 60 LEU 8 N 0.0152 0.0017 -0.0130 61 LEU 8 CA 0.0262 0.0085 -0.0151 62 LEU 8 C 0.0375 0.0031 -0.0192 63 LEU 8 O 0.0474 0.0087 -0.0211 64 LEU 8 CB 0.0258 0.0094 -0.0148 65 LEU 8 CG 0.0163 0.0176 -0.0108 66 LEU 8 CD1 0.0187 0.0203 -0.0110 67 LEU 8 CD2 0.0158 0.0298 -0.0086 68 THR 9 N 0.0406 -0.0072 -0.0256 69 THR 9 CA 0.0490 -0.0117 -0.0314 70 THR 9 C 0.0421 -0.0078 -0.0265 71 THR 9 O 0.0443 -0.0130 -0.0317 72 THR 9 CB 0.0479 -0.0257 -0.0443 73 THR 9 OG1 0.0306 -0.0293 -0.0445 74 THR 9 CG2 0.0528 -0.0297 -0.0489 75 GLY 10 N 0.0210 -0.0029 -0.0150 76 GLY 10 CA 0.0074 -0.0031 -0.0067 77 GLY 10 C -0.0094 -0.0077 -0.0133 78 GLY 10 O -0.0210 -0.0088 -0.0096 79 LYS 11 N -0.0093 -0.0062 -0.0211 80 LYS 11 CA -0.0179 -0.0089 -0.0243 81 LYS 11 C -0.0183 -0.0102 -0.0147 82 LYS 11 O -0.0097 -0.0075 -0.0111 83 LYS 11 CB -0.0163 -0.0070 -0.0352 84 LYS 11 CG -0.0258 -0.0101 -0.0382 85 LYS 11 CD -0.0236 -0.0080 -0.0492 86 LYS 11 CE -0.0334 -0.0107 -0.0561 87 LYS 11 NZ -0.0418 -0.0145 -0.0498 88 THR 12 N -0.0253 -0.0070 -0.0044 89 THR 12 CA -0.0245 -0.0083 0.0008 90 THR 12 C -0.0274 -0.0088 -0.0017 91 THR 12 O -0.0325 -0.0104 -0.0044 92 THR 12 CB -0.0273 -0.0113 0.0067 93 THR 12 OG1 -0.0240 -0.0105 0.0089 94 THR 12 CG2 -0.0267 -0.0126 0.0117 95 ILE 13 N -0.0163 -0.0090 0.0045 96 ILE 13 CA -0.0177 -0.0104 0.0041 97 ILE 13 C -0.0185 -0.0123 0.0079 98 ILE 13 O -0.0170 -0.0117 0.0110 99 ILE 13 CB -0.0159 -0.0081 0.0024 100 ILE 13 CG1 -0.0152 -0.0081 0.0048 101 ILE 13 CG2 -0.0132 -0.0049 0.0011 102 ILE 13 CD1 -0.0133 -0.0056 0.0030 103 THR 14 N -0.0146 -0.0037 0.0127 104 THR 14 CA -0.0115 -0.0041 0.0099 105 THR 14 C -0.0095 -0.0026 0.0103 106 THR 14 O -0.0091 -0.0003 0.0129 107 THR 14 CB -0.0094 -0.0031 0.0097 108 THR 14 OG1 -0.0084 -0.0003 0.0125 109 THR 14 CG2 -0.0117 -0.0042 0.0099 110 LEU 15 N -0.0049 -0.0047 0.0164 111 LEU 15 CA -0.0039 -0.0040 0.0166 112 LEU 15 C -0.0014 -0.0035 0.0144 113 LEU 15 O -0.0012 -0.0043 0.0123 114 LEU 15 CB -0.0061 -0.0055 0.0158 115 LEU 15 CG -0.0077 -0.0058 0.0175 116 LEU 15 CD1 -0.0084 -0.0048 0.0206 117 LEU 15 CD2 -0.0103 -0.0077 0.0162 118 GLU 16 N 0.0048 0.0031 0.0192 119 GLU 16 CA 0.0145 0.0023 0.0131 120 GLU 16 C 0.0151 0.0015 0.0117 121 GLU 16 O 0.0140 0.0055 0.0179 122 GLU 16 CB 0.0231 0.0079 0.0166 123 GLU 16 CG 0.0237 0.0080 0.0163 124 GLU 16 CD 0.0330 0.0125 0.0179 125 GLU 16 OE1 0.0368 0.0109 0.0138 126 GLU 16 OE2 0.0362 0.0180 0.0239 127 VAL 17 N 0.0159 0.0044 0.0087 128 VAL 17 CA 0.0140 0.0027 0.0061 129 VAL 17 C 0.0170 0.0029 0.0004 130 VAL 17 O 0.0200 0.0041 -0.0019 131 VAL 17 CB 0.0084 -0.0007 0.0055 132 VAL 17 CG1 0.0049 -0.0013 0.0108 133 VAL 17 CG2 0.0077 -0.0021 0.0014 134 GLU 18 N 0.0213 0.0035 0.0001 135 GLU 18 CA 0.0236 0.0033 -0.0073 136 GLU 18 C 0.0159 0.0005 -0.0118 137 GLU 18 O 0.0096 -0.0009 -0.0079 138 GLU 18 CB 0.0274 0.0047 -0.0050 139 GLU 18 CG 0.0360 0.0076 -0.0018 140 GLU 18 CD 0.0422 0.0087 -0.0071 141 GLU 18 OE1 0.0422 0.0078 -0.0145 142 GLU 18 OE2 0.0484 0.0110 -0.0030 143 PRO 19 N 0.0153 0.0035 -0.0179 144 PRO 19 CA 0.0116 0.0040 -0.0200 145 PRO 19 C 0.0077 0.0022 -0.0190 146 PRO 19 O 0.0043 0.0017 -0.0196 147 PRO 19 CB 0.0120 0.0069 -0.0237 148 PRO 19 CG 0.0166 0.0081 -0.0236 149 PRO 19 CD 0.0182 0.0059 -0.0201 150 SER 20 N 0.0143 0.0026 -0.0170 151 SER 20 CA 0.0119 0.0019 -0.0157 152 SER 20 C 0.0078 0.0013 -0.0090 153 SER 20 O 0.0054 0.0006 -0.0072 154 SER 20 CB 0.0175 0.0040 -0.0152 155 SER 20 OG 0.0229 0.0064 -0.0120 156 ASP 21 N 0.0077 -0.0002 -0.0025 157 ASP 21 CA 0.0048 -0.0008 0.0026 158 ASP 21 C -0.0010 -0.0018 0.0014 159 ASP 21 O -0.0026 -0.0020 -0.0028 160 ASP 21 CB 0.0070 -0.0004 0.0050 161 ASP 21 CG 0.0121 0.0004 0.0080 162 ASP 21 OD1 0.0132 0.0006 0.0095 163 ASP 21 OD2 0.0153 0.0010 0.0083 164 THR 22 N -0.0012 -0.0014 0.0055 165 THR 22 CA -0.0076 -0.0039 0.0053 166 THR 22 C -0.0094 -0.0046 0.0088 167 THR 22 O -0.0061 -0.0031 0.0126 168 THR 22 CB -0.0105 -0.0050 0.0086 169 THR 22 OG1 -0.0085 -0.0039 0.0152 170 THR 22 CG2 -0.0086 -0.0044 0.0053 171 ILE 23 N -0.0088 -0.0051 0.0069 172 ILE 23 CA -0.0107 -0.0063 0.0102 173 ILE 23 C -0.0113 -0.0066 0.0159 174 ILE 23 O -0.0106 -0.0062 0.0198 175 ILE 23 CB -0.0153 -0.0091 0.0078 176 ILE 23 CG1 -0.0142 -0.0084 0.0022 177 ILE 23 CG2 -0.0173 -0.0103 0.0117 178 ILE 23 CD1 -0.0106 -0.0062 0.0020 179 GLU 24 N -0.0156 -0.0020 0.0179 180 GLU 24 CA -0.0162 -0.0022 0.0257 181 GLU 24 C -0.0091 -0.0026 0.0288 182 GLU 24 O -0.0087 -0.0028 0.0335 183 GLU 24 CB -0.0185 -0.0023 0.0294 184 GLU 24 CG -0.0208 -0.0025 0.0372 185 GLU 24 CD -0.0222 -0.0025 0.0398 186 GLU 24 OE1 -0.0176 -0.0027 0.0410 187 GLU 24 OE2 -0.0288 -0.0023 0.0402 188 ASN 25 N -0.0078 -0.0036 0.0261 189 ASN 25 CA -0.0038 -0.0040 0.0273 190 ASN 25 C -0.0034 -0.0043 0.0256 191 ASN 25 O -0.0019 -0.0042 0.0277 192 ASN 25 CB -0.0002 -0.0047 0.0262 193 ASN 25 CG 0.0038 -0.0052 0.0274 194 ASN 25 OD1 0.0043 -0.0047 0.0310 195 ASN 25 ND2 0.0066 -0.0061 0.0246 196 VAL 26 N -0.0047 -0.0040 0.0215 197 VAL 26 CA -0.0045 -0.0042 0.0203 198 VAL 26 C -0.0063 -0.0038 0.0220 199 VAL 26 O -0.0053 -0.0038 0.0228 200 VAL 26 CB -0.0054 -0.0046 0.0172 201 VAL 26 CG1 -0.0057 -0.0047 0.0162 202 VAL 26 CG2 -0.0033 -0.0050 0.0155 203 LYS 27 N -0.0045 -0.0030 0.0244 204 LYS 27 CA -0.0047 -0.0009 0.0222 205 LYS 27 C -0.0058 0.0006 0.0200 206 LYS 27 O -0.0075 0.0016 0.0181 207 LYS 27 CB -0.0018 0.0007 0.0225 208 LYS 27 CG -0.0011 -0.0007 0.0244 209 LYS 27 CD 0.0017 0.0010 0.0245 210 LYS 27 CE 0.0025 -0.0002 0.0262 211 LYS 27 NZ 0.0052 0.0016 0.0262 212 ALA 28 N -0.0067 0.0013 0.0234 213 ALA 28 CA -0.0069 0.0001 0.0228 214 ALA 28 C -0.0083 -0.0046 0.0198 215 ALA 28 O -0.0092 -0.0048 0.0167 216 ALA 28 CB -0.0056 -0.0005 0.0278 217 LYS 29 N -0.0106 -0.0023 0.0224 218 LYS 29 CA -0.0091 -0.0045 0.0206 219 LYS 29 C -0.0122 -0.0039 0.0181 220 LYS 29 O -0.0120 -0.0042 0.0180 221 LYS 29 CB -0.0067 -0.0077 0.0182 222 LYS 29 CG -0.0034 -0.0086 0.0204 223 LYS 29 CD -0.0016 -0.0116 0.0177 224 LYS 29 CE 0.0026 -0.0134 0.0194 225 LYS 29 NZ 0.0047 -0.0154 0.0186 226 ILE 30 N -0.0101 -0.0049 0.0108 227 ILE 30 CA -0.0110 -0.0032 0.0053 228 ILE 30 C -0.0106 0.0006 0.0001 229 ILE 30 O -0.0128 0.0003 -0.0056 230 ILE 30 CB -0.0085 0.0001 0.0069 231 ILE 30 CG1 -0.0095 -0.0041 0.0111 232 ILE 30 CG2 -0.0088 0.0032 0.0009 233 ILE 30 CD1 -0.0063 -0.0004 0.0139 234 GLN 31 N -0.0097 0.0030 0.0013 235 GLN 31 CA -0.0088 0.0057 -0.0045 236 GLN 31 C -0.0125 0.0002 -0.0082 237 GLN 31 O -0.0136 -0.0001 -0.0150 238 GLN 31 CB -0.0060 0.0097 -0.0013 239 GLN 31 CG -0.0054 0.0121 -0.0075 240 GLN 31 CD -0.0022 0.0168 -0.0044 241 GLN 31 OE1 -0.0020 0.0157 0.0020 242 GLN 31 NE2 0.0002 0.0219 -0.0087 243 ASP 32 N -0.0117 -0.0037 -0.0030 244 ASP 32 CA -0.0165 -0.0110 -0.0065 245 ASP 32 C -0.0187 -0.0146 -0.0125 246 ASP 32 O -0.0208 -0.0181 -0.0196 247 ASP 32 CB -0.0200 -0.0155 0.0016 248 ASP 32 CG -0.0233 -0.0207 -0.0018 249 ASP 32 OD1 -0.0211 -0.0176 -0.0041 250 ASP 32 OD2 -0.0278 -0.0273 -0.0025 251 LYS 33 N -0.0159 -0.0119 -0.0092 252 LYS 33 CA -0.0157 -0.0140 -0.0128 253 LYS 33 C -0.0127 -0.0115 -0.0171 254 LYS 33 O -0.0125 -0.0141 -0.0211 255 LYS 33 CB -0.0176 -0.0155 -0.0100 256 LYS 33 CG -0.0166 -0.0120 -0.0075 257 LYS 33 CD -0.0174 -0.0142 -0.0086 258 LYS 33 CE -0.0207 -0.0187 -0.0063 259 LYS 33 NZ -0.0212 -0.0213 -0.0087 260 GLU 34 N -0.0176 -0.0053 -0.0210 261 GLU 34 CA -0.0148 -0.0014 -0.0272 262 GLU 34 C -0.0119 0.0037 -0.0297 263 GLU 34 O -0.0094 0.0072 -0.0351 264 GLU 34 CB -0.0130 0.0026 -0.0248 265 GLU 34 CG -0.0156 -0.0019 -0.0227 266 GLU 34 CD -0.0165 -0.0052 -0.0297 267 GLU 34 OE1 -0.0143 -0.0023 -0.0356 268 GLU 34 OE2 -0.0197 -0.0111 -0.0286 269 GLY 35 N -0.0126 0.0044 -0.0271 270 GLY 35 CA -0.0105 0.0095 -0.0286 271 GLY 35 C -0.0076 0.0160 -0.0269 272 GLY 35 O -0.0057 0.0206 -0.0283 273 ILE 36 N -0.0075 0.0142 -0.0224 274 ILE 36 CA -0.0032 0.0197 -0.0203 275 ILE 36 C -0.0009 0.0216 -0.0150 276 ILE 36 O -0.0021 0.0187 -0.0096 277 ILE 36 CB -0.0032 0.0190 -0.0173 278 ILE 36 CG1 -0.0058 0.0166 -0.0226 279 ILE 36 CG2 0.0013 0.0245 -0.0149 280 ILE 36 CD1 -0.0070 0.0140 -0.0188 281 PRO 37 N 0.0022 0.0260 -0.0182 282 PRO 37 CA 0.0052 0.0286 -0.0135 283 PRO 37 C 0.0069 0.0287 -0.0063 284 PRO 37 O 0.0082 0.0304 -0.0061 285 PRO 37 CB 0.0091 0.0348 -0.0175 286 PRO 37 CG 0.0067 0.0339 -0.0251 287 PRO 37 CD 0.0037 0.0298 -0.0249 288 PRO 38 N 0.0008 0.0229 0.0004 289 PRO 38 CA 0.0029 0.0218 0.0071 290 PRO 38 C 0.0069 0.0274 0.0081 291 PRO 38 O 0.0079 0.0268 0.0115 292 PRO 38 CB 0.0039 0.0199 0.0124 293 PRO 38 CG 0.0002 0.0168 0.0084 294 PRO 38 CD 0.0003 0.0215 0.0014 295 ASP 39 N 0.0080 0.0327 -0.0004 296 ASP 39 CA 0.0136 0.0394 0.0009 297 ASP 39 C 0.0183 0.0429 -0.0017 298 ASP 39 O 0.0226 0.0489 0.0008 299 ASP 39 CB 0.0158 0.0398 -0.0026 300 ASP 39 CG 0.0226 0.0443 -0.0071 301 ASP 39 OD1 0.0245 0.0430 -0.0129 302 ASP 39 OD2 0.0260 0.0492 -0.0050 303 GLN 40 N 0.0182 0.0400 -0.0038 304 GLN 40 CA 0.0208 0.0422 -0.0063 305 GLN 40 C 0.0194 0.0420 -0.0032 306 GLN 40 O 0.0216 0.0444 -0.0042 307 GLN 40 CB 0.0211 0.0394 -0.0124 308 GLN 40 CG 0.0228 0.0397 -0.0159 309 GLN 40 CD 0.0233 0.0370 -0.0220 310 GLN 40 OE1 0.0238 0.0362 -0.0250 311 GLN 40 NE2 0.0230 0.0358 -0.0237 312 GLN 41 N 0.0114 0.0295 0.0037 313 GLN 41 CA 0.0093 0.0230 0.0074 314 GLN 41 C 0.0133 0.0227 0.0138 315 GLN 41 O 0.0176 0.0240 0.0187 316 GLN 41 CB 0.0068 0.0175 0.0097 317 GLN 41 CG 0.0025 0.0172 0.0037 318 GLN 41 CD 0.0003 0.0118 0.0062 319 GLN 41 OE1 0.0003 0.0069 0.0114 320 GLN 41 NE2 -0.0014 0.0124 0.0031 321 ARG 42 N 0.0139 0.0169 0.0063 322 ARG 42 CA 0.0180 0.0114 0.0102 323 ARG 42 C 0.0145 0.0046 0.0122 324 ARG 42 O 0.0075 0.0028 0.0108 325 ARG 42 CB 0.0181 0.0118 0.0100 326 ARG 42 CG 0.0199 0.0054 0.0136 327 ARG 42 CD 0.0206 0.0070 0.0131 328 ARG 42 NE 0.0215 0.0006 0.0163 329 ARG 42 CZ 0.0163 -0.0029 0.0162 330 ARG 42 NH1 0.0098 -0.0006 0.0131 331 ARG 42 NH2 0.0173 -0.0092 0.0195 332 LEU 43 N 0.0055 -0.0014 0.0162 333 LEU 43 CA 0.0039 -0.0033 0.0173 334 LEU 43 C 0.0048 -0.0048 0.0194 335 LEU 43 O 0.0069 -0.0046 0.0202 336 LEU 43 CB 0.0035 -0.0035 0.0174 337 LEU 43 CG 0.0022 -0.0024 0.0156 338 LEU 43 CD1 0.0026 -0.0025 0.0159 339 LEU 43 CD2 -0.0005 -0.0032 0.0151 340 ILE 44 N 0.0048 -0.0081 0.0145 341 ILE 44 CA 0.0057 -0.0119 0.0171 342 ILE 44 C 0.0034 -0.0131 0.0189 343 ILE 44 O -0.0003 -0.0120 0.0195 344 ILE 44 CB 0.0043 -0.0137 0.0191 345 ILE 44 CG1 0.0058 -0.0123 0.0174 346 ILE 44 CG2 0.0056 -0.0178 0.0217 347 ILE 44 CD1 0.0106 -0.0129 0.0160 348 PHE 45 N 0.0002 -0.0179 0.0105 349 PHE 45 CA -0.0006 -0.0158 0.0110 350 PHE 45 C 0.0001 -0.0179 0.0110 351 PHE 45 O 0.0011 -0.0198 0.0090 352 PHE 45 CB -0.0011 -0.0132 0.0084 353 PHE 45 CG -0.0019 -0.0110 0.0088 354 PHE 45 CD1 -0.0030 -0.0087 0.0111 355 PHE 45 CD2 -0.0015 -0.0114 0.0068 356 PHE 45 CE1 -0.0037 -0.0067 0.0114 357 PHE 45 CE2 -0.0022 -0.0094 0.0071 358 PHE 45 CZ -0.0033 -0.0070 0.0093 359 ALA 46 N 0.0016 -0.0207 0.0229 360 ALA 46 CA 0.0031 -0.0249 0.0250 361 ALA 46 C 0.0070 -0.0326 0.0240 362 ALA 46 O 0.0094 -0.0360 0.0206 363 ALA 46 CB 0.0028 -0.0219 0.0205 364 GLY 47 N 0.0072 -0.0323 0.0273 365 GLY 47 CA 0.0086 -0.0365 0.0274 366 GLY 47 C 0.0108 -0.0378 0.0229 367 GLY 47 O 0.0123 -0.0419 0.0225 368 LYS 48 N 0.0058 -0.0291 0.0174 369 LYS 48 CA 0.0086 -0.0297 0.0124 370 LYS 48 C 0.0078 -0.0263 0.0116 371 LYS 48 O 0.0055 -0.0219 0.0131 372 LYS 48 CB 0.0099 -0.0276 0.0082 373 LYS 48 CG 0.0108 -0.0305 0.0085 374 LYS 48 CD 0.0118 -0.0274 0.0044 375 LYS 48 CE 0.0097 -0.0246 0.0067 376 LYS 48 NZ 0.0095 -0.0289 0.0099 377 GLN 49 N 0.0147 -0.0118 0.0161 378 GLN 49 CA 0.0141 -0.0124 0.0115 379 GLN 49 C 0.0111 -0.0120 0.0093 380 GLN 49 O 0.0121 -0.0122 0.0098 381 GLN 49 CB 0.0184 -0.0137 0.0092 382 GLN 49 CG 0.0177 -0.0142 0.0046 383 GLN 49 CD 0.0221 -0.0155 0.0025 384 GLN 49 OE1 0.0228 -0.0162 -0.0010 385 GLN 49 NE2 0.0250 -0.0158 0.0048 386 LEU 50 N -0.0050 -0.0121 0.0042 387 LEU 50 CA -0.0052 -0.0121 0.0042 388 LEU 50 C -0.0061 -0.0131 0.0048 389 LEU 50 O -0.0060 -0.0138 0.0056 390 LEU 50 CB -0.0039 -0.0120 0.0044 391 LEU 50 CG -0.0029 -0.0111 0.0039 392 LEU 50 CD1 -0.0017 -0.0109 0.0041 393 LEU 50 CD2 -0.0034 -0.0102 0.0028 394 GLU 51 N -0.0212 -0.0191 -0.0009 395 GLU 51 CA -0.0315 -0.0311 0.0015 396 GLU 51 C -0.0279 -0.0307 0.0045 397 GLU 51 O -0.0234 -0.0204 -0.0018 398 GLU 51 CB -0.0451 -0.0315 -0.0107 399 GLU 51 CG -0.0574 -0.0422 -0.0115 400 GLU 51 CD -0.0701 -0.0475 -0.0180 401 GLU 51 OE1 -0.0816 -0.0551 -0.0211 402 GLU 51 OE2 -0.0666 -0.0428 -0.0195 403 ASP 52 N -0.0308 -0.0153 0.0121 404 ASP 52 CA -0.0272 -0.0116 0.0144 405 ASP 52 C -0.0218 -0.0111 0.0127 406 ASP 52 O -0.0185 -0.0088 0.0137 407 ASP 52 CB -0.0293 -0.0087 0.0180 408 ASP 52 CG -0.0333 -0.0074 0.0209 409 ASP 52 OD1 -0.0354 -0.0051 0.0239 410 ASP 52 OD2 -0.0346 -0.0085 0.0203 411 GLY 53 N -0.0339 -0.0213 0.0004 412 GLY 53 CA -0.0317 -0.0193 -0.0047 413 GLY 53 C -0.0282 -0.0162 -0.0114 414 GLY 53 O -0.0254 -0.0139 -0.0155 415 ARG 54 N -0.0285 -0.0214 -0.0151 416 ARG 54 CA -0.0252 -0.0141 -0.0216 417 ARG 54 C -0.0179 -0.0061 -0.0170 418 ARG 54 O -0.0155 -0.0067 -0.0079 419 ARG 54 CB -0.0265 -0.0155 -0.0223 420 ARG 54 CG -0.0338 -0.0239 -0.0260 421 ARG 54 CD -0.0363 -0.0223 -0.0376 422 ARG 54 NE -0.0410 -0.0282 -0.0385 423 ARG 54 CZ -0.0418 -0.0277 -0.0424 424 ARG 54 NH1 -0.0382 -0.0206 -0.0472 425 ARG 54 NH2 -0.0467 -0.0350 -0.0411 426 THR 55 N -0.0160 -0.0081 -0.0192 427 THR 55 CA -0.0103 -0.0042 -0.0175 428 THR 55 C -0.0090 -0.0031 -0.0187 429 THR 55 O -0.0122 -0.0049 -0.0218 430 THR 55 CB -0.0071 -0.0012 -0.0218 431 THR 55 OG1 -0.0089 -0.0013 -0.0284 432 THR 55 CG2 -0.0080 -0.0019 -0.0215 433 LEU 56 N -0.0074 -0.0040 -0.0146 434 LEU 56 CA -0.0055 -0.0027 -0.0162 435 LEU 56 C -0.0052 -0.0013 -0.0226 436 LEU 56 O -0.0066 -0.0015 -0.0252 437 LEU 56 CB -0.0003 -0.0006 -0.0129 438 LEU 56 CG -0.0001 -0.0017 -0.0065 439 LEU 56 CD1 0.0054 0.0007 -0.0040 440 LEU 56 CD2 -0.0032 -0.0037 -0.0045 441 SER 57 N -0.0034 0.0008 -0.0280 442 SER 57 CA -0.0032 0.0029 -0.0357 443 SER 57 C -0.0087 -0.0013 -0.0397 444 SER 57 O -0.0089 -0.0004 -0.0447 445 SER 57 CB -0.0009 0.0060 -0.0398 446 SER 57 OG -0.0041 0.0030 -0.0399 447 ASP 58 N -0.0127 -0.0012 -0.0394 448 ASP 58 CA -0.0173 -0.0070 -0.0429 449 ASP 58 C -0.0183 -0.0088 -0.0409 450 ASP 58 O -0.0208 -0.0117 -0.0452 451 ASP 58 CB -0.0209 -0.0124 -0.0409 452 ASP 58 CG -0.0211 -0.0122 -0.0446 453 ASP 58 OD1 -0.0229 -0.0152 -0.0415 454 ASP 58 OD2 -0.0194 -0.0089 -0.0508 455 TYR 59 N -0.0121 -0.0067 -0.0263 456 TYR 59 CA -0.0124 -0.0074 -0.0246 457 TYR 59 C -0.0108 -0.0047 -0.0249 458 TYR 59 O -0.0109 -0.0050 -0.0234 459 TYR 59 CB -0.0128 -0.0083 -0.0205 460 TYR 59 CG -0.0146 -0.0112 -0.0200 461 TYR 59 CD1 -0.0144 -0.0111 -0.0190 462 TYR 59 CD2 -0.0164 -0.0142 -0.0202 463 TYR 59 CE1 -0.0161 -0.0138 -0.0185 464 TYR 59 CE2 -0.0181 -0.0169 -0.0197 465 TYR 59 CZ -0.0179 -0.0167 -0.0188 466 TYR 59 OH -0.0196 -0.0195 -0.0181 467 ASN 60 N -0.0116 -0.0050 -0.0360 468 ASN 60 CA -0.0078 0.0015 -0.0364 469 ASN 60 C -0.0073 0.0054 -0.0249 470 ASN 60 O -0.0073 0.0061 -0.0222 471 ASN 60 CB -0.0096 -0.0033 -0.0428 472 ASN 60 CG -0.0050 0.0039 -0.0471 473 ASN 60 OD1 -0.0058 0.0022 -0.0476 474 ASN 60 ND2 0.0001 0.0121 -0.0505 475 ILE 61 N -0.0068 -0.0000 -0.0215 476 ILE 61 CA -0.0038 0.0007 -0.0174 477 ILE 61 C 0.0001 0.0041 -0.0180 478 ILE 61 O 0.0004 0.0044 -0.0180 479 ILE 61 CB -0.0048 -0.0021 -0.0129 480 ILE 61 CG1 -0.0085 -0.0054 -0.0122 481 ILE 61 CG2 -0.0015 -0.0012 -0.0085 482 ILE 61 CD1 -0.0097 -0.0082 -0.0080 483 GLN 62 N 0.0016 -0.0037 -0.0210 484 GLN 62 CA -0.0095 0.0130 -0.0206 485 GLN 62 C 0.0058 0.0064 -0.0152 486 GLN 62 O 0.0259 -0.0083 -0.0102 487 GLN 62 CB -0.0121 0.0414 -0.0115 488 GLN 62 CG -0.0336 0.0534 -0.0181 489 GLN 62 CD -0.0369 0.0831 -0.0089 490 GLN 62 OE1 -0.0444 0.0987 -0.0071 491 GLN 62 NE2 -0.0307 0.0924 -0.0024 492 LYS 63 N 0.0063 0.0011 -0.0174 493 LYS 63 CA 0.0121 0.0003 -0.0129 494 LYS 63 C 0.0120 0.0009 -0.0155 495 LYS 63 O 0.0107 0.0024 -0.0222 496 LYS 63 CB 0.0205 0.0008 -0.0131 497 LYS 63 CG 0.0234 0.0029 -0.0214 498 LYS 63 CD 0.0324 0.0033 -0.0210 499 LYS 63 CE 0.0359 0.0049 -0.0274 500 LYS 63 NZ 0.0357 0.0066 -0.0347 501 GLU 64 N 0.0086 -0.0002 -0.0056 502 GLU 64 CA 0.0057 -0.0011 -0.0034 503 GLU 64 C 0.0012 -0.0045 -0.0038 504 GLU 64 O -0.0013 -0.0057 -0.0026 505 GLU 64 CB 0.0077 -0.0003 -0.0045 506 GLU 64 CG 0.0112 0.0036 -0.0020 507 GLU 64 CD 0.0154 0.0048 -0.0051 508 GLU 64 OE1 0.0157 0.0032 -0.0084 509 GLU 64 OE2 0.0185 0.0076 -0.0040 510 SER 65 N 0.0004 -0.0028 0.0012 511 SER 65 CA -0.0029 -0.0043 0.0008 512 SER 65 C -0.0045 -0.0043 0.0041 513 SER 65 O -0.0032 -0.0032 0.0066 514 SER 65 CB -0.0039 -0.0049 -0.0000 515 SER 65 OG -0.0028 -0.0051 -0.0033 516 THR 66 N -0.0062 -0.0109 0.0130 517 THR 66 CA -0.0079 -0.0099 0.0141 518 THR 66 C -0.0068 -0.0111 0.0134 519 THR 66 O -0.0063 -0.0138 0.0131 520 THR 66 CB -0.0107 -0.0110 0.0159 521 THR 66 OG1 -0.0115 -0.0097 0.0165 522 THR 66 CG2 -0.0122 -0.0100 0.0170 523 LEU 67 N -0.0067 -0.0083 0.0154 524 LEU 67 CA -0.0062 -0.0093 0.0150 525 LEU 67 C -0.0067 -0.0096 0.0160 526 LEU 67 O -0.0074 -0.0086 0.0167 527 LEU 67 CB -0.0057 -0.0086 0.0138 528 LEU 67 CG -0.0053 -0.0077 0.0128 529 LEU 67 CD1 -0.0046 -0.0074 0.0117 530 LEU 67 CD2 -0.0049 -0.0085 0.0125 531 HIS 68 N -0.0016 -0.0092 0.0189 532 HIS 68 CA -0.0016 -0.0081 0.0169 533 HIS 68 C 0.0004 -0.0060 0.0145 534 HIS 68 O 0.0030 -0.0055 0.0152 535 HIS 68 CB 0.0002 -0.0085 0.0186 536 HIS 68 CG -0.0018 -0.0104 0.0208 537 HIS 68 ND1 -0.0041 -0.0108 0.0201 538 HIS 68 CD2 -0.0018 -0.0121 0.0236 539 HIS 68 CE1 -0.0056 -0.0127 0.0224 540 HIS 68 NE2 -0.0042 -0.0135 0.0245 541 LEU 69 N -0.0032 -0.0020 0.0133 542 LEU 69 CA -0.0012 0.0016 0.0110 543 LEU 69 C 0.0003 0.0048 0.0081 544 LEU 69 O -0.0022 0.0044 0.0049 545 LEU 69 CB -0.0041 0.0006 0.0078 546 LEU 69 CG -0.0024 0.0043 0.0047 547 LEU 69 CD1 0.0010 0.0059 0.0076 548 LEU 69 CD2 -0.0056 0.0031 0.0015 549 VAL 70 N 0.0036 0.0072 0.0077 550 VAL 70 CA 0.0040 0.0116 0.0044 551 VAL 70 C 0.0066 0.0176 0.0017 552 VAL 70 O 0.0106 0.0184 0.0042 553 VAL 70 CB 0.0077 0.0110 0.0077 554 VAL 70 CG1 0.0085 0.0156 0.0047 555 VAL 70 CG2 0.0056 0.0048 0.0110 556 LEU 71 N 0.0162 0.0310 -0.0047 557 LEU 71 CA 0.0179 0.0347 -0.0072 558 LEU 71 C 0.0225 0.0413 -0.0070 559 LEU 71 O 0.0235 0.0438 -0.0091 560 LEU 71 CB 0.0146 0.0336 -0.0148 561 LEU 71 CG 0.0120 0.0297 -0.0147 562 LEU 71 CD1 0.0109 0.0248 -0.0081 563 LEU 71 CD2 0.0080 0.0270 -0.0213 564 ARG 72 N 0.0304 0.0540 -0.0165 565 ARG 72 CA 0.0330 0.0624 -0.0157 566 ARG 72 C 0.0335 0.0622 -0.0193 567 ARG 72 O 0.0319 0.0598 -0.0141 568 ARG 72 CB 0.0324 0.0652 -0.0063 569 ARG 72 CG 0.0335 0.0695 -0.0041 570 ARG 72 CD 0.0319 0.0689 0.0051 571 ARG 72 NE 0.0290 0.0616 0.0081 572 ARG 72 CZ 0.0278 0.0617 0.0164 573 ARG 72 NH1 0.0293 0.0687 0.0208 574 ARG 72 NH2 0.0251 0.0549 0.0197 575 LEU 73 N 0.0488 0.0660 -0.0141 576 LEU 73 CA 0.0504 0.0517 -0.0190 577 LEU 73 C 0.0495 0.0465 -0.0209 578 LEU 73 O 0.0529 0.0532 -0.0183 579 LEU 73 CB 0.0633 0.0479 -0.0192 580 LEU 73 CG 0.0623 0.0451 -0.0203 581 LEU 73 CD1 0.0520 0.0540 -0.0181 582 LEU 73 CD2 0.0765 0.0468 -0.0183 583 ARG 74 N 0.0714 0.0389 -0.0347 584 ARG 74 CA 0.0412 0.0337 -0.0228 585 ARG 74 C 0.0488 0.0207 -0.0132 586 ARG 74 O 0.0575 -0.0022 0.0048 587 ARG 74 CB 0.0235 0.0183 -0.0048 588 ARG 74 CG -0.0130 0.0237 -0.0007 589 ARG 74 CD -0.0291 0.0162 0.0098 590 ARG 74 NE -0.0370 -0.0089 0.0338 591 ARG 74 CZ -0.0180 -0.0289 0.0467 592 ARG 74 NH1 0.0084 -0.0266 0.0383 593 ARG 74 NH2 -0.0245 -0.0515 0.0682 594 GLY 75 N -0.0651 -0.0371 0.0289 595 GLY 75 CA -0.1460 -0.1232 0.2101 596 GLY 75 C 0.0689 -0.0437 0.0354 597 GLY 75 O 0.4490 -0.0314 -0.0100 598 GLY 76 N -0.0916 -0.1093 0.0925 599 GLY 76 CA -0.0746 -0.0934 0.0310 600 GLY 76 C -0.0181 0.0010 0.0326 601 GLY 76 O -0.0047 0.0249 0.0404 602 GLY 76 OXT 0.0091 0.0453 0.0275