1 GLY 1 N -0.0026 -0.0144 0.0078 2 GLY 1 CA -0.0040 -0.0180 0.0035 3 GLY 1 C -0.0015 -0.0168 -0.0017 4 GLY 1 O 0.0014 -0.0130 -0.0022 5 ARG 2 N 0.0014 -0.0146 -0.0060 6 ARG 2 CA 0.0031 -0.0161 -0.0049 7 ARG 2 C 0.0047 -0.0146 -0.0038 8 ARG 2 O 0.0044 -0.0137 -0.0040 9 ARG 2 CB 0.0028 -0.0184 -0.0051 10 ARG 2 CG 0.0044 -0.0202 -0.0040 11 ARG 2 CD 0.0041 -0.0225 -0.0042 12 ARG 2 NE 0.0026 -0.0239 -0.0053 13 ARG 2 CZ 0.0024 -0.0263 -0.0055 14 ARG 2 NH1 0.0037 -0.0276 -0.0046 15 ARG 2 NH2 0.0009 -0.0273 -0.0065 16 ILE 3 N 0.0063 -0.0189 -0.0097 17 ILE 3 CA 0.0100 -0.0208 -0.0132 18 ILE 3 C 0.0124 -0.0161 -0.0004 19 ILE 3 O 0.0046 -0.0113 0.0090 20 ILE 3 CB -0.0015 -0.0228 -0.0228 21 ILE 3 CG1 -0.0014 -0.0283 -0.0367 22 ILE 3 CG2 0.0008 -0.0238 -0.0244 23 ILE 3 CD1 -0.0138 -0.0302 -0.0465 24 ALA 4 N 0.0169 -0.0122 0.0047 25 ALA 4 CA 0.0176 -0.0107 0.0074 26 ALA 4 C 0.0173 -0.0143 0.0112 27 ALA 4 O 0.0173 -0.0160 0.0146 28 ALA 4 CB 0.0191 -0.0059 0.0099 29 SER 5 N 0.0148 -0.0125 0.0088 30 SER 5 CA 0.0158 -0.0166 0.0094 31 SER 5 C 0.0172 -0.0184 0.0104 32 SER 5 O 0.0187 -0.0215 0.0115 33 SER 5 CB 0.0132 -0.0191 0.0068 34 SER 5 OG 0.0108 -0.0188 0.0046 35 ILE 6 N 0.0178 -0.0129 0.0099 36 ILE 6 CA 0.0176 -0.0123 0.0099 37 ILE 6 C 0.0176 -0.0104 0.0124 38 ILE 6 O 0.0171 -0.0083 0.0129 39 ILE 6 CB 0.0166 -0.0111 0.0072 40 ILE 6 CG1 0.0167 -0.0132 0.0047 41 ILE 6 CG2 0.0163 -0.0101 0.0073 42 ILE 6 CD1 0.0156 -0.0119 0.0019 43 PRO 7 N 0.0180 -0.0114 0.0124 44 PRO 7 CA 0.0181 -0.0095 0.0146 45 PRO 7 C 0.0175 -0.0065 0.0138 46 PRO 7 O 0.0172 -0.0060 0.0122 47 PRO 7 CB 0.0184 -0.0106 0.0161 48 PRO 7 CG 0.0188 -0.0137 0.0156 49 PRO 7 CD 0.0184 -0.0139 0.0127 50 GLY 8 N 0.0192 -0.0056 0.0135 51 GLY 8 CA 0.0175 -0.0030 0.0130 52 GLY 8 C 0.0168 -0.0022 0.0117 53 GLY 8 O 0.0155 0.0000 0.0118 54 GLU 9 N 0.0171 -0.0037 0.0118 55 GLU 9 CA 0.0154 -0.0024 0.0100 56 GLU 9 C 0.0154 0.0003 0.0114 57 GLU 9 O 0.0141 0.0027 0.0106 58 GLU 9 CB 0.0153 -0.0051 0.0087 59 GLU 9 CG 0.0136 -0.0044 0.0065 60 GLU 9 CD 0.0137 -0.0072 0.0052 61 GLU 9 OE1 0.0151 -0.0096 0.0061 62 GLU 9 OE2 0.0123 -0.0069 0.0034 63 ALA 10 N 0.0181 -0.0000 0.0150 64 ALA 10 CA 0.0187 0.0039 0.0173 65 ALA 10 C 0.0188 0.0056 0.0183 66 ALA 10 O 0.0172 0.0089 0.0192 67 ALA 10 CB 0.0224 0.0039 0.0193 68 GLU 11 N 0.0191 0.0049 0.0164 69 GLU 11 CA 0.0189 0.0055 0.0169 70 GLU 11 C 0.0163 0.0063 0.0161 71 GLU 11 O 0.0155 0.0078 0.0170 72 GLU 11 CB 0.0204 0.0036 0.0160 73 GLU 11 CG 0.0207 0.0040 0.0166 74 GLU 11 CD 0.0218 0.0019 0.0154 75 GLU 11 OE1 0.0224 0.0002 0.0142 76 GLU 11 OE2 0.0219 0.0020 0.0155 77 TYR 12 N 0.0126 0.0056 0.0145 78 TYR 12 CA 0.0098 0.0055 0.0138 79 TYR 12 C 0.0083 0.0064 0.0149 80 TYR 12 O 0.0060 0.0062 0.0142 81 TYR 12 CB 0.0093 0.0039 0.0112 82 TYR 12 CG 0.0102 0.0031 0.0102 83 TYR 12 CD1 0.0085 0.0033 0.0102 84 TYR 12 CD2 0.0126 0.0021 0.0092 85 TYR 12 CE1 0.0094 0.0026 0.0094 86 TYR 12 CE2 0.0135 0.0015 0.0084 87 TYR 12 CZ 0.0119 0.0017 0.0085 88 TYR 12 OH 0.0129 0.0012 0.0078 89 LEU 13 N 0.0096 0.0070 0.0164 90 LEU 13 CA 0.0074 0.0089 0.0164 91 LEU 13 C 0.0044 0.0125 0.0177 92 LEU 13 O 0.0051 0.0144 0.0205 93 LEU 13 CB 0.0099 0.0088 0.0188 94 LEU 13 CG 0.0079 0.0101 0.0184 95 LEU 13 CD1 0.0066 0.0079 0.0145 96 LEU 13 CD2 0.0106 0.0103 0.0211 97 GLY 14 N 0.0004 0.0103 0.0183 98 GLY 14 CA -0.0019 0.0103 0.0190 99 GLY 14 C -0.0041 0.0112 0.0175 100 GLY 14 O -0.0062 0.0113 0.0180 101 ARG 15 N -0.0006 0.0103 0.0191 102 ARG 15 CA -0.0009 0.0069 0.0165 103 ARG 15 C -0.0014 0.0047 0.0150 104 ARG 15 O -0.0001 0.0025 0.0122 105 ARG 15 CB 0.0025 0.0070 0.0140 106 ARG 15 CG 0.0031 0.0087 0.0150 107 ARG 15 CD 0.0059 0.0079 0.0124 108 ARG 15 NE 0.0095 0.0094 0.0110 109 ARG 15 CZ 0.0121 0.0081 0.0081 110 ARG 15 NH1 0.0117 0.0053 0.0060 111 ARG 15 NH2 0.0152 0.0098 0.0072 112 GLY 16 N -0.0056 0.0048 0.0084 113 GLY 16 CA -0.0059 0.0020 0.0048 114 GLY 16 C -0.0042 0.0007 0.0044 115 GLY 16 O -0.0056 -0.0006 0.0019 116 VAL 17 N -0.0002 0.0025 0.0057 117 VAL 17 CA 0.0011 0.0015 0.0056 118 VAL 17 C -0.0001 0.0030 0.0065 119 VAL 17 O -0.0005 0.0048 0.0084 120 VAL 17 CB 0.0040 0.0007 0.0069 121 VAL 17 CG1 0.0053 -0.0003 0.0067 122 VAL 17 CG2 0.0051 -0.0010 0.0057 123 SER 18 N -0.0049 -0.0022 -0.0021 124 SER 18 CA -0.0049 -0.0023 -0.0003 125 SER 18 C -0.0022 -0.0027 -0.0006 126 SER 18 O -0.0007 -0.0027 -0.0026 127 SER 18 CB -0.0074 -0.0020 -0.0010 128 SER 18 OG -0.0074 -0.0021 0.0008 129 TYR 19 N -0.0016 -0.0018 -0.0016 130 TYR 19 CA -0.0005 -0.0021 -0.0017 131 TYR 19 C -0.0022 -0.0017 -0.0016 132 TYR 19 O -0.0016 -0.0016 -0.0011 133 TYR 19 CB 0.0015 -0.0018 0.0002 134 TYR 19 CG 0.0032 -0.0022 0.0003 135 TYR 19 CD1 0.0049 -0.0032 -0.0012 136 TYR 19 CD2 0.0032 -0.0014 0.0020 137 TYR 19 CE1 0.0065 -0.0035 -0.0010 138 TYR 19 CE2 0.0049 -0.0018 0.0022 139 TYR 19 CZ 0.0065 -0.0028 0.0007 140 TYR 19 OH 0.0081 -0.0031 0.0009 141 CYS 20 N -0.0024 -0.0080 0.0019 142 CYS 20 CA -0.0013 -0.0106 0.0067 143 CYS 20 C -0.0035 -0.0122 0.0056 144 CYS 20 O -0.0074 -0.0158 0.0047 145 CYS 20 CB -0.0026 -0.0150 0.0103 146 CYS 20 SG -0.0001 -0.0176 0.0167 147 ALA 21 N 0.0020 -0.0110 0.0016 148 ALA 21 CA -0.0008 -0.0118 -0.0007 149 ALA 21 C -0.0034 -0.0148 0.0034 150 ALA 21 O -0.0075 -0.0167 0.0020 151 ALA 21 CB 0.0025 -0.0090 -0.0031 152 THR 22 N -0.0008 -0.0193 0.0076 153 THR 22 CA -0.0026 -0.0210 0.0105 154 THR 22 C -0.0091 -0.0231 0.0146 155 THR 22 O -0.0127 -0.0234 0.0155 156 THR 22 CB 0.0034 -0.0238 0.0139 157 THR 22 OG1 0.0060 -0.0268 0.0180 158 THR 22 CG2 0.0095 -0.0215 0.0096 159 CYS 23 N -0.0093 -0.0237 0.0193 160 CYS 23 CA -0.0150 -0.0261 0.0214 161 CYS 23 C -0.0204 -0.0234 0.0180 162 CYS 23 O -0.0246 -0.0240 0.0183 163 CYS 23 CB -0.0151 -0.0287 0.0244 164 CYS 23 SG -0.0204 -0.0332 0.0289 165 ASP 24 N -0.0183 -0.0143 0.0169 166 ASP 24 CA -0.0214 -0.0154 0.0120 167 ASP 24 C -0.0226 -0.0155 0.0089 168 ASP 24 O -0.0254 -0.0166 0.0049 169 ASP 24 CB -0.0196 -0.0129 0.0081 170 ASP 24 CG -0.0187 -0.0129 0.0105 171 ASP 24 OD1 -0.0197 -0.0149 0.0149 172 ASP 24 OD2 -0.0169 -0.0108 0.0076 173 GLY 25 N -0.0169 -0.0164 0.0078 174 GLY 25 CA -0.0164 -0.0133 0.0049 175 GLY 25 C -0.0199 -0.0141 0.0040 176 GLY 25 O -0.0215 -0.0117 0.0007 177 ALA 26 N -0.0239 -0.0186 0.0103 178 ALA 26 CA -0.0283 -0.0177 0.0094 179 ALA 26 C -0.0347 -0.0162 0.0077 180 ALA 26 O -0.0379 -0.0138 0.0051 181 ALA 26 CB -0.0290 -0.0217 0.0138 182 PHE 27 N -0.0351 -0.0164 0.0100 183 PHE 27 CA -0.0414 -0.0159 0.0073 184 PHE 27 C -0.0424 -0.0096 0.0036 185 PHE 27 O -0.0473 -0.0083 0.0009 186 PHE 27 CB -0.0447 -0.0192 0.0076 187 PHE 27 CG -0.0438 -0.0254 0.0113 188 PHE 27 CD1 -0.0388 -0.0268 0.0141 189 PHE 27 CD2 -0.0478 -0.0299 0.0121 190 PHE 27 CE1 -0.0378 -0.0325 0.0175 191 PHE 27 CE2 -0.0469 -0.0356 0.0155 192 PHE 27 CZ -0.0419 -0.0369 0.0182 193 TYR 28 N -0.0325 -0.0051 0.0001 194 TYR 28 CA -0.0315 -0.0045 -0.0039 195 TYR 28 C -0.0330 -0.0046 -0.0060 196 TYR 28 O -0.0315 -0.0040 -0.0091 197 TYR 28 CB -0.0271 -0.0037 -0.0043 198 TYR 28 CG -0.0258 -0.0036 -0.0026 199 TYR 28 CD1 -0.0263 -0.0035 -0.0047 200 TYR 28 CD2 -0.0243 -0.0036 0.0011 201 TYR 28 CE1 -0.0254 -0.0035 -0.0030 202 TYR 28 CE2 -0.0234 -0.0036 0.0028 203 TYR 28 CZ -0.0240 -0.0036 0.0008 204 TYR 28 OH -0.0231 -0.0036 0.0026 205 ARG 29 N -0.0378 -0.0067 -0.0029 206 ARG 29 CA -0.0397 -0.0039 -0.0081 207 ARG 29 C -0.0439 -0.0005 -0.0137 208 ARG 29 O -0.0499 -0.0001 -0.0124 209 ARG 29 CB -0.0441 -0.0046 -0.0051 210 ARG 29 CG -0.0445 -0.0020 -0.0104 211 ARG 29 CD -0.0493 -0.0024 -0.0079 212 ARG 29 NE -0.0467 -0.0061 -0.0012 213 ARG 29 CZ -0.0407 -0.0074 -0.0005 214 ARG 29 NH1 -0.0365 -0.0055 -0.0059 215 ARG 29 NH2 -0.0388 -0.0107 0.0058 216 ASN 30 N -0.0419 0.0040 -0.0153 217 ASN 30 CA -0.0440 0.0062 -0.0213 218 ASN 30 C -0.0428 0.0052 -0.0188 219 ASN 30 O -0.0473 0.0074 -0.0205 220 ASN 30 CB -0.0523 0.0101 -0.0239 221 ASN 30 CG -0.0522 0.0113 -0.0291 222 ASN 30 OD1 -0.0552 0.0119 -0.0266 223 ASN 30 ND2 -0.0486 0.0116 -0.0367 224 ARG 31 N -0.0373 0.0041 -0.0184 225 ARG 31 CA -0.0360 0.0040 -0.0183 226 ARG 31 C -0.0284 0.0043 -0.0210 227 ARG 31 O -0.0239 0.0039 -0.0211 228 ARG 31 CB -0.0369 0.0014 -0.0111 229 ARG 31 CG -0.0446 0.0010 -0.0082 230 ARG 31 CD -0.0459 -0.0013 -0.0016 231 ARG 31 NE -0.0532 -0.0017 0.0012 232 ARG 31 CZ -0.0594 -0.0004 -0.0009 233 ARG 31 NH1 -0.0597 0.0014 -0.0056 234 ARG 31 NH2 -0.0656 -0.0008 0.0017 235 GLU 32 N -0.0214 0.0044 -0.0190 236 GLU 32 CA -0.0180 0.0042 -0.0203 237 GLU 32 C -0.0156 0.0033 -0.0174 238 GLU 32 O -0.0165 0.0029 -0.0153 239 GLU 32 CB -0.0178 0.0048 -0.0230 240 GLU 32 CG -0.0200 0.0058 -0.0261 241 GLU 32 CD -0.0180 0.0063 -0.0290 242 GLU 32 OE1 -0.0189 0.0066 -0.0300 243 GLU 32 OE2 -0.0154 0.0062 -0.0303 244 VAL 33 N -0.0113 0.0023 -0.0178 245 VAL 33 CA -0.0090 0.0012 -0.0151 246 VAL 33 C -0.0055 0.0012 -0.0164 247 VAL 33 O -0.0043 0.0021 -0.0192 248 VAL 33 CB -0.0086 0.0002 -0.0125 249 VAL 33 CG1 -0.0121 0.0000 -0.0111 250 VAL 33 CG2 -0.0065 0.0004 -0.0138 251 VAL 34 N -0.0011 0.0025 -0.0138 252 VAL 34 CA 0.0002 0.0017 -0.0141 253 VAL 34 C 0.0008 0.0015 -0.0134 254 VAL 34 O 0.0006 0.0018 -0.0121 255 VAL 34 CB 0.0011 0.0013 -0.0135 256 VAL 34 CG1 0.0025 0.0004 -0.0138 257 VAL 34 CG2 0.0005 0.0015 -0.0142 258 VAL 35 N 0.0020 0.0012 -0.0155 259 VAL 35 CA 0.0026 0.0008 -0.0152 260 VAL 35 C 0.0027 0.0011 -0.0153 261 VAL 35 O 0.0028 0.0018 -0.0156 262 VAL 35 CB 0.0034 0.0008 -0.0150 263 VAL 35 CG1 0.0040 0.0004 -0.0147 264 VAL 35 CG2 0.0033 0.0004 -0.0149 265 VAL 36 N 0.0018 0.0017 -0.0145 266 VAL 36 CA 0.0018 0.0002 -0.0139 267 VAL 36 C 0.0003 0.0001 -0.0150 268 VAL 36 O 0.0002 0.0016 -0.0157 269 VAL 36 CB 0.0033 0.0006 -0.0128 270 VAL 36 CG1 0.0034 -0.0014 -0.0120 271 VAL 36 CG2 0.0049 0.0014 -0.0119 272 GLY 37 N -0.0007 0.0034 -0.0175 273 GLY 37 CA -0.0017 0.0036 -0.0179 274 GLY 37 C -0.0022 0.0034 -0.0174 275 GLY 37 O -0.0018 0.0032 -0.0170 276 LEU 38 N -0.0168 0.0137 -0.0212 277 LEU 38 CA -0.0148 0.0152 -0.0172 278 LEU 38 C -0.0154 0.0143 -0.0191 279 LEU 38 O -0.0193 0.0161 -0.0202 280 LEU 38 CB -0.0175 0.0196 -0.0136 281 LEU 38 CG -0.0160 0.0218 -0.0092 282 LEU 38 CD1 -0.0107 0.0201 -0.0064 283 LEU 38 CD2 -0.0190 0.0261 -0.0061 284 ASN 39 N -0.0103 0.0035 -0.0175 285 ASN 39 CA -0.0094 0.0008 -0.0199 286 ASN 39 C -0.0052 0.0007 -0.0209 287 ASN 39 O -0.0036 0.0024 -0.0197 288 ASN 39 CB -0.0120 -0.0020 -0.0218 289 ASN 39 CG -0.0122 -0.0022 -0.0219 290 ASN 39 OD1 -0.0094 -0.0024 -0.0226 291 ASN 39 ND2 -0.0158 -0.0021 -0.0211 292 PRO 40 N -0.0112 -0.0008 -0.0217 293 PRO 40 CA -0.0060 -0.0018 -0.0222 294 PRO 40 C -0.0006 -0.0030 -0.0251 295 PRO 40 O 0.0044 -0.0038 -0.0229 296 PRO 40 CB -0.0085 -0.0016 -0.0256 297 PRO 40 CG -0.0151 -0.0003 -0.0239 298 PRO 40 CD -0.0167 0.0000 -0.0237 299 GLU 41 N 0.0004 -0.0080 -0.0230 300 GLU 41 CA 0.0013 -0.0071 -0.0230 301 GLU 41 C 0.0017 -0.0049 -0.0206 302 GLU 41 O 0.0036 -0.0033 -0.0207 303 GLU 41 CB -0.0006 -0.0089 -0.0231 304 GLU 41 CG 0.0003 -0.0085 -0.0236 305 GLU 41 CD -0.0017 -0.0102 -0.0234 306 GLU 41 OE1 -0.0038 -0.0115 -0.0226 307 GLU 41 OE2 -0.0011 -0.0102 -0.0241 308 ALA 42 N 0.0023 -0.0030 -0.0202 309 ALA 42 CA 0.0029 -0.0019 -0.0182 310 ALA 42 C 0.0055 -0.0012 -0.0159 311 ALA 42 O 0.0075 -0.0012 -0.0152 312 ALA 42 CB -0.0002 -0.0005 -0.0169 313 VAL 43 N 0.0043 0.0010 -0.0161 314 VAL 43 CA 0.0082 0.0017 -0.0126 315 VAL 43 C 0.0128 -0.0012 -0.0139 316 VAL 43 O 0.0161 -0.0014 -0.0122 317 VAL 43 CB 0.0077 0.0035 -0.0105 318 VAL 43 CG1 0.0121 0.0038 -0.0072 319 VAL 43 CG2 0.0036 0.0067 -0.0083 320 GLU 44 N 0.0124 -0.0053 -0.0139 321 GLU 44 CA 0.0167 -0.0064 -0.0164 322 GLU 44 C 0.0183 -0.0065 -0.0169 323 GLU 44 O 0.0225 -0.0058 -0.0165 324 GLU 44 CB 0.0162 -0.0091 -0.0204 325 GLU 44 CG 0.0158 -0.0086 -0.0197 326 GLU 44 CD 0.0144 -0.0111 -0.0233 327 GLU 44 OE1 0.0168 -0.0130 -0.0265 328 GLU 44 OE2 0.0110 -0.0111 -0.0227 329 GLU 45 N 0.0143 -0.0066 -0.0130 330 GLU 45 CA 0.0121 -0.0067 -0.0129 331 GLU 45 C 0.0110 -0.0054 -0.0143 332 GLU 45 O 0.0094 -0.0054 -0.0144 333 GLU 45 CB 0.0114 -0.0074 -0.0123 334 GLU 45 CG 0.0120 -0.0090 -0.0107 335 GLU 45 CD 0.0108 -0.0100 -0.0097 336 GLU 45 OE1 0.0093 -0.0107 -0.0091 337 GLU 45 OE2 0.0111 -0.0101 -0.0096 338 ALA 46 N 0.0112 -0.0035 -0.0137 339 ALA 46 CA 0.0113 -0.0023 -0.0134 340 ALA 46 C 0.0135 -0.0030 -0.0119 341 ALA 46 O 0.0136 -0.0035 -0.0119 342 ALA 46 CB 0.0107 0.0007 -0.0131 343 GLN 47 N 0.0181 -0.0046 -0.0094 344 GLN 47 CA 0.0223 -0.0053 -0.0079 345 GLN 47 C 0.0221 -0.0105 -0.0080 346 GLN 47 O 0.0248 -0.0112 -0.0070 347 GLN 47 CB 0.0273 -0.0053 -0.0062 348 GLN 47 CG 0.0284 -0.0002 -0.0058 349 GLN 47 CD 0.0340 0.0002 -0.0038 350 GLN 47 OE1 0.0366 0.0017 -0.0028 351 GLN 47 NE2 0.0358 -0.0011 -0.0031 352 VAL 48 N 0.0135 -0.0114 -0.0091 353 VAL 48 CA 0.0110 -0.0126 -0.0078 354 VAL 48 C 0.0079 -0.0109 -0.0088 355 VAL 48 O 0.0064 -0.0104 -0.0090 356 VAL 48 CB 0.0105 -0.0153 -0.0056 357 VAL 48 CG1 0.0077 -0.0165 -0.0044 358 VAL 48 CG2 0.0137 -0.0171 -0.0047 359 LEU 49 N 0.0052 -0.0062 -0.0080 360 LEU 49 CA 0.0019 -0.0054 -0.0101 361 LEU 49 C 0.0015 -0.0035 -0.0122 362 LEU 49 O -0.0014 -0.0035 -0.0134 363 LEU 49 CB 0.0012 -0.0042 -0.0116 364 LEU 49 CG 0.0007 -0.0063 -0.0097 365 LEU 49 CD1 0.0009 -0.0049 -0.0110 366 LEU 49 CD2 -0.0028 -0.0086 -0.0089 367 THR 50 N 0.0088 -0.0056 -0.0108 368 THR 50 CA 0.0097 -0.0026 -0.0117 369 THR 50 C 0.0101 -0.0044 -0.0109 370 THR 50 O 0.0102 -0.0023 -0.0117 371 THR 50 CB 0.0137 0.0002 -0.0117 372 THR 50 OG1 0.0173 -0.0020 -0.0098 373 THR 50 CG2 0.0134 0.0028 -0.0129 374 LYS 51 N 0.0097 -0.0035 -0.0125 375 LYS 51 CA 0.0076 -0.0042 -0.0115 376 LYS 51 C -0.0003 -0.0039 -0.0103 377 LYS 51 O -0.0032 -0.0041 -0.0097 378 LYS 51 CB 0.0109 -0.0097 -0.0073 379 LYS 51 CG 0.0189 -0.0103 -0.0082 380 LYS 51 CD 0.0222 -0.0160 -0.0037 381 LYS 51 CE 0.0302 -0.0165 -0.0046 382 LYS 51 NZ 0.0333 -0.0192 -0.0028 383 PHE 52 N -0.0102 -0.0035 -0.0108 384 PHE 52 CA -0.0164 -0.0040 -0.0103 385 PHE 52 C -0.0190 -0.0006 -0.0140 386 PHE 52 O -0.0235 0.0009 -0.0159 387 PHE 52 CB -0.0176 -0.0078 -0.0060 388 PHE 52 CG -0.0150 -0.0113 -0.0021 389 PHE 52 CD1 -0.0172 -0.0127 -0.0006 390 PHE 52 CD2 -0.0105 -0.0133 0.0002 391 PHE 52 CE1 -0.0149 -0.0160 0.0032 392 PHE 52 CE2 -0.0081 -0.0167 0.0040 393 PHE 52 CZ -0.0103 -0.0180 0.0054 394 ALA 53 N -0.0148 -0.0010 -0.0144 395 ALA 53 CA -0.0160 0.0008 -0.0173 396 ALA 53 C -0.0165 0.0032 -0.0209 397 ALA 53 O -0.0142 0.0041 -0.0217 398 ALA 53 CB -0.0129 0.0012 -0.0172 399 SER 54 N -0.0241 0.0031 -0.0212 400 SER 54 CA -0.0248 0.0055 -0.0262 401 SER 54 C -0.0200 0.0079 -0.0287 402 SER 54 O -0.0184 0.0096 -0.0313 403 SER 54 CB -0.0292 0.0060 -0.0290 404 SER 54 OG -0.0342 0.0042 -0.0277 405 THR 55 N -0.0128 0.0062 -0.0235 406 THR 55 CA -0.0098 0.0069 -0.0246 407 THR 55 C -0.0081 0.0054 -0.0222 408 THR 55 O -0.0097 0.0043 -0.0205 409 THR 55 CB -0.0103 0.0083 -0.0269 410 THR 55 OG1 -0.0119 0.0098 -0.0293 411 THR 55 CG2 -0.0071 0.0091 -0.0279 412 VAL 56 N -0.0011 0.0066 -0.0193 413 VAL 56 CA -0.0003 0.0054 -0.0185 414 VAL 56 C 0.0003 0.0074 -0.0196 415 VAL 56 O 0.0023 0.0089 -0.0201 416 VAL 56 CB 0.0023 0.0042 -0.0171 417 VAL 56 CG1 0.0032 0.0031 -0.0162 418 VAL 56 CG2 0.0018 0.0022 -0.0160 419 HIS 57 N 0.0002 0.0053 -0.0173 420 HIS 57 CA 0.0014 0.0057 -0.0182 421 HIS 57 C 0.0030 0.0056 -0.0172 422 HIS 57 O 0.0030 0.0052 -0.0159 423 HIS 57 CB 0.0007 0.0058 -0.0187 424 HIS 57 CG -0.0008 0.0060 -0.0199 425 HIS 57 ND1 -0.0007 0.0066 -0.0215 426 HIS 57 CD2 -0.0025 0.0057 -0.0196 427 HIS 57 CE1 -0.0022 0.0066 -0.0221 428 HIS 57 NE2 -0.0034 0.0061 -0.0210 429 TRP 58 N 0.0049 0.0018 -0.0152 430 TRP 58 CA 0.0037 0.0041 -0.0153 431 TRP 58 C 0.0017 0.0073 -0.0163 432 TRP 58 O 0.0013 0.0088 -0.0145 433 TRP 58 CB 0.0042 0.0046 -0.0117 434 TRP 58 CG 0.0032 0.0066 -0.0117 435 TRP 58 CD1 0.0022 0.0071 -0.0147 436 TRP 58 CD2 0.0031 0.0082 -0.0086 437 TRP 58 NE1 0.0015 0.0089 -0.0136 438 TRP 58 CE2 0.0020 0.0096 -0.0099 439 TRP 58 CE3 0.0037 0.0085 -0.0050 440 TRP 58 CZ2 0.0016 0.0114 -0.0076 441 TRP 58 CZ3 0.0033 0.0103 -0.0026 442 TRP 58 CH2 0.0022 0.0118 -0.0039 443 ILE 59 N 0.0032 0.0046 -0.0166 444 ILE 59 CA 0.0041 0.0039 -0.0163 445 ILE 59 C 0.0029 0.0045 -0.0166 446 ILE 59 O 0.0027 0.0061 -0.0169 447 ILE 59 CB 0.0061 0.0046 -0.0162 448 ILE 59 CG1 0.0073 0.0038 -0.0159 449 ILE 59 CG2 0.0069 0.0039 -0.0160 450 ILE 59 CD1 0.0093 0.0047 -0.0158 451 THR 60 N 0.0014 0.0093 -0.0165 452 THR 60 CA -0.0023 0.0126 -0.0157 453 THR 60 C -0.0029 0.0136 -0.0160 454 THR 60 O -0.0017 0.0108 -0.0150 455 THR 60 CB -0.0058 0.0118 -0.0121 456 THR 60 OG1 -0.0063 0.0085 -0.0092 457 THR 60 CG2 -0.0053 0.0107 -0.0117 458 PRO 61 N -0.0082 0.0186 -0.0190 459 PRO 61 CA -0.0091 0.0204 -0.0197 460 PRO 61 C -0.0135 0.0202 -0.0146 461 PRO 61 O -0.0147 0.0214 -0.0145 462 PRO 61 CB -0.0103 0.0265 -0.0239 463 PRO 61 CG -0.0126 0.0284 -0.0231 464 PRO 61 CD -0.0095 0.0232 -0.0217 465 LYS 62 N -0.0164 0.0303 -0.0101 466 LYS 62 CA -0.0247 0.0294 -0.0006 467 LYS 62 C -0.0250 0.0224 0.0065 468 LYS 62 O -0.0194 0.0197 0.0034 469 LYS 62 CB -0.0344 0.0396 -0.0009 470 LYS 62 CG -0.0378 0.0446 -0.0023 471 LYS 62 CD -0.0469 0.0551 -0.0033 472 LYS 62 CE -0.0447 0.0634 -0.0137 473 LYS 62 NZ -0.0538 0.0732 -0.0141 474 ASP 63 N -0.0313 0.0276 0.0117 475 ASP 63 CA -0.0297 0.0214 0.0204 476 ASP 63 C -0.0304 0.0226 0.0196 477 ASP 63 O -0.0361 0.0304 0.0173 478 ASP 63 CB -0.0352 0.0224 0.0315 479 ASP 63 CG -0.0355 0.0180 0.0417 480 ASP 63 OD1 -0.0394 0.0220 0.0429 481 ASP 63 OD2 -0.0321 0.0108 0.0482 482 PRO 64 N -0.0212 0.0222 0.0163 483 PRO 64 CA -0.0213 0.0231 0.0144 484 PRO 64 C -0.0259 0.0248 0.0215 485 PRO 64 O -0.0268 0.0266 0.0199 486 PRO 64 CB -0.0143 0.0162 0.0131 487 PRO 64 CG -0.0104 0.0121 0.0127 488 PRO 64 CD -0.0153 0.0150 0.0179 489 HIS 65 N -0.0325 0.0278 0.0381 490 HIS 65 CA -0.0356 0.0294 0.0433 491 HIS 65 C -0.0439 0.0342 0.0395 492 HIS 65 O -0.0469 0.0359 0.0413 493 HIS 65 CB -0.0359 0.0294 0.0542 494 HIS 65 CG -0.0275 0.0246 0.0584 495 HIS 65 ND1 -0.0254 0.0233 0.0610 496 HIS 65 CD2 -0.0213 0.0210 0.0605 497 HIS 65 CE1 -0.0179 0.0190 0.0645 498 HIS 65 NE2 -0.0151 0.0174 0.0644 499 THR 66 N -0.0506 0.0383 0.0362 500 THR 66 CA -0.0593 0.0470 0.0277 501 THR 66 C -0.0586 0.0497 0.0194 502 THR 66 O -0.0674 0.0567 0.0157 503 THR 66 CB -0.0587 0.0502 0.0183 504 THR 66 OG1 -0.0472 0.0460 0.0106 505 THR 66 CG2 -0.0622 0.0497 0.0255 506 LEU 67 N -0.0395 0.0333 0.0177 507 LEU 67 CA -0.0361 0.0313 0.0109 508 LEU 67 C -0.0324 0.0307 0.0163 509 LEU 67 O -0.0272 0.0284 0.0122 510 LEU 67 CB -0.0281 0.0277 0.0045 511 LEU 67 CG -0.0312 0.0276 -0.0042 512 LEU 67 CD1 -0.0227 0.0238 -0.0105 513 LEU 67 CD2 -0.0392 0.0295 -0.0107 514 ASP 68 N -0.0438 0.0417 0.0197 515 ASP 68 CA -0.0546 0.0410 0.0403 516 ASP 68 C -0.0310 0.0314 0.0414 517 ASP 68 O -0.0356 0.0362 0.0291 518 ASP 68 CB -0.0888 0.0565 0.0324 519 ASP 68 CG -0.1058 0.0562 0.0619 520 ASP 68 OD1 -0.1103 0.0587 0.0589 521 ASP 68 OD2 -0.1145 0.0533 0.0880 522 GLY 69 N -0.0237 0.0284 0.0393 523 GLY 69 CA -0.0091 0.0264 0.0397 524 GLY 69 C -0.0001 0.0227 0.0279 525 GLY 69 O 0.0129 0.0210 0.0287 526 HIS 70 N 0.0007 0.0211 0.0148 527 HIS 70 CA 0.0039 0.0156 0.0074 528 HIS 70 C 0.0075 0.0150 0.0087 529 HIS 70 O 0.0140 0.0109 0.0057 530 HIS 70 CB -0.0038 0.0138 -0.0003 531 HIS 70 CG -0.0009 0.0077 -0.0086 532 HIS 70 ND1 0.0007 0.0046 -0.0130 533 HIS 70 CD2 0.0006 0.0046 -0.0130 534 HIS 70 CE1 0.0032 -0.0005 -0.0199 535 HIS 70 NE2 0.0033 -0.0007 -0.0202 536 ALA 71 N 0.0051 0.0167 0.0106 537 ALA 71 CA 0.0079 0.0162 0.0118 538 ALA 71 C 0.0131 0.0172 0.0185 539 ALA 71 O 0.0158 0.0168 0.0199 540 ALA 71 CB 0.0015 0.0186 0.0121 541 ASP 72 N 0.0121 0.0241 0.0226 542 ASP 72 CA 0.0190 0.0257 0.0343 543 ASP 72 C 0.0331 0.0232 0.0338 544 ASP 72 O 0.0389 0.0241 0.0419 545 ASP 72 CB 0.0166 0.0273 0.0392 546 ASP 72 CG 0.0033 0.0306 0.0435 547 ASP 72 OD1 -0.0048 0.0315 0.0414 548 ASP 72 OD2 0.0009 0.0322 0.0487 549 GLU 73 N 0.0379 0.0203 0.0242 550 GLU 73 CA 0.0439 0.0164 0.0233 551 GLU 73 C 0.0402 0.0155 0.0210 552 GLU 73 O 0.0434 0.0165 0.0232 553 GLU 73 CB 0.0478 0.0096 0.0190 554 GLU 73 CG 0.0551 0.0053 0.0184 555 GLU 73 CD 0.0588 -0.0014 0.0141 556 GLU 73 OE1 0.0560 -0.0029 0.0116 557 GLU 73 OE2 0.0647 -0.0051 0.0134 558 LEU 74 N 0.0314 0.0118 0.0112 559 LEU 74 CA 0.0269 0.0106 0.0072 560 LEU 74 C 0.0249 0.0160 0.0081 561 LEU 74 O 0.0244 0.0146 0.0071 562 LEU 74 CB 0.0217 0.0100 0.0029 563 LEU 74 CG 0.0164 0.0089 -0.0017 564 LEU 74 CD1 0.0179 0.0024 -0.0036 565 LEU 74 CD2 0.0115 0.0090 -0.0055 566 LEU 75 N 0.0227 0.0165 0.0161 567 LEU 75 CA 0.0210 0.0207 0.0183 568 LEU 75 C 0.0245 0.0244 0.0190 569 LEU 75 O 0.0233 0.0281 0.0208 570 LEU 75 CB 0.0194 0.0212 0.0189 571 LEU 75 CG 0.0149 0.0184 0.0188 572 LEU 75 CD1 0.0141 0.0183 0.0189 573 LEU 75 CD2 0.0108 0.0201 0.0205 574 ALA 76 N 0.0321 0.0325 0.0217 575 ALA 76 CA 0.0386 0.0349 0.0249 576 ALA 76 C 0.0375 0.0290 0.0231 577 ALA 76 O 0.0416 0.0312 0.0252 578 ALA 76 CB 0.0488 0.0329 0.0286 579 HIS 77 N 0.0246 0.0178 0.0072 580 HIS 77 CA 0.0234 0.0143 0.0061 581 HIS 77 C 0.0205 0.0161 0.0043 582 HIS 77 O 0.0176 0.0182 0.0024 583 HIS 77 CB 0.0218 0.0102 0.0048 584 HIS 77 CG 0.0219 0.0059 0.0046 585 HIS 77 ND1 0.0191 0.0055 0.0027 586 HIS 77 CD2 0.0243 0.0022 0.0061 587 HIS 77 CE1 0.0200 0.0016 0.0031 588 HIS 77 NE2 0.0231 -0.0005 0.0051 589 PRO 78 N 0.0220 0.0160 0.0060 590 PRO 78 CA 0.0170 0.0189 0.0002 591 PRO 78 C 0.0089 0.0147 -0.0104 592 PRO 78 O 0.0036 0.0188 -0.0162 593 PRO 78 CB 0.0214 0.0121 0.0047 594 PRO 78 CG 0.0300 0.0100 0.0149 595 PRO 78 CD 0.0293 0.0081 0.0138 596 SER 79 N 0.0054 0.0103 -0.0144 597 SER 79 CA 0.0035 0.0093 -0.0172 598 SER 79 C 0.0026 0.0121 -0.0188 599 SER 79 O 0.0008 0.0118 -0.0213 600 SER 79 CB 0.0034 0.0059 -0.0171 601 SER 79 OG 0.0041 0.0030 -0.0158 602 VAL 80 N 0.0063 0.0117 -0.0107 603 VAL 80 CA 0.0063 0.0128 -0.0112 604 VAL 80 C 0.0053 0.0161 -0.0133 605 VAL 80 O 0.0066 0.0186 -0.0137 606 VAL 80 CB 0.0095 0.0127 -0.0095 607 VAL 80 CG1 0.0097 0.0141 -0.0101 608 VAL 80 CG2 0.0099 0.0090 -0.0076 609 LYS 81 N 0.0024 0.0112 -0.0180 610 LYS 81 CA 0.0032 0.0125 -0.0201 611 LYS 81 C 0.0057 0.0117 -0.0189 612 LYS 81 O 0.0052 0.0103 -0.0167 613 LYS 81 CB 0.0001 0.0131 -0.0211 614 LYS 81 CG -0.0022 0.0143 -0.0230 615 LYS 81 CD -0.0049 0.0153 -0.0244 616 LYS 81 CE -0.0071 0.0166 -0.0265 617 LYS 81 NZ -0.0097 0.0157 -0.0250 618 LEU 82 N 0.0012 0.0012 -0.0066 619 LEU 82 CA 0.0013 0.0041 -0.0069 620 LEU 82 C 0.0026 0.0045 -0.0090 621 LEU 82 O 0.0027 0.0034 -0.0092 622 LEU 82 CB -0.0000 0.0052 -0.0047 623 LEU 82 CG 0.0000 0.0083 -0.0049 624 LEU 82 CD1 0.0002 0.0103 -0.0053 625 LEU 82 CD2 -0.0013 0.0090 -0.0028 626 TRP 83 N 0.0042 0.0019 -0.0165 627 TRP 83 CA 0.0054 0.0010 -0.0159 628 TRP 83 C 0.0060 0.0004 -0.0158 629 TRP 83 O 0.0066 0.0008 -0.0149 630 TRP 83 CB 0.0061 0.0019 -0.0147 631 TRP 83 CG 0.0056 0.0026 -0.0148 632 TRP 83 CD1 0.0048 0.0039 -0.0147 633 TRP 83 CD2 0.0058 0.0019 -0.0150 634 TRP 83 NE1 0.0045 0.0041 -0.0149 635 TRP 83 CE2 0.0050 0.0029 -0.0151 636 TRP 83 CE3 0.0064 0.0006 -0.0152 637 TRP 83 CZ2 0.0050 0.0026 -0.0153 638 TRP 83 CZ3 0.0064 0.0003 -0.0154 639 TRP 83 CH2 0.0057 0.0013 -0.0155 640 GLU 84 N 0.0015 -0.0077 -0.0090 641 GLU 84 CA -0.0025 -0.0028 -0.0087 642 GLU 84 C 0.0005 -0.0016 -0.0111 643 GLU 84 O 0.0041 -0.0062 -0.0114 644 GLU 84 CB -0.0088 -0.0047 -0.0038 645 GLU 84 CG -0.0083 -0.0111 -0.0013 646 GLU 84 CD -0.0144 -0.0116 0.0029 647 GLU 84 OE1 -0.0193 -0.0079 0.0043 648 GLU 84 OE2 -0.0143 -0.0152 0.0044 649 LYS 85 N 0.0022 -0.0059 -0.0109 650 LYS 85 CA 0.0044 -0.0029 -0.0143 651 LYS 85 C 0.0116 -0.0049 -0.0195 652 LYS 85 O 0.0143 -0.0063 -0.0212 653 LYS 85 CB 0.0017 -0.0050 -0.0109 654 LYS 85 CG -0.0056 -0.0032 -0.0055 655 LYS 85 CD -0.0082 -0.0029 -0.0035 656 LYS 85 CE -0.0135 -0.0066 0.0031 657 LYS 85 NZ -0.0109 -0.0148 0.0050 658 THR 86 N 0.0124 -0.0049 -0.0157 659 THR 86 CA 0.0154 -0.0041 -0.0145 660 THR 86 C 0.0164 -0.0011 -0.0145 661 THR 86 O 0.0147 0.0009 -0.0154 662 THR 86 CB 0.0162 -0.0040 -0.0142 663 THR 86 OG1 0.0152 -0.0013 -0.0149 664 THR 86 CG2 0.0148 -0.0069 -0.0145 665 ARG 87 N 0.0174 -0.0050 -0.0096 666 ARG 87 CA 0.0178 -0.0050 -0.0061 667 ARG 87 C 0.0169 -0.0004 -0.0027 668 ARG 87 O 0.0168 0.0009 -0.0006 669 ARG 87 CB 0.0194 -0.0096 -0.0027 670 ARG 87 CG 0.0200 -0.0112 -0.0011 671 ARG 87 CD 0.0210 -0.0132 0.0043 672 ARG 87 NE 0.0224 -0.0181 0.0043 673 ARG 87 CZ 0.0235 -0.0225 0.0043 674 ARG 87 NH1 0.0236 -0.0228 0.0039 675 ARG 87 NH2 0.0247 -0.0266 0.0047 676 LEU 88 N 0.0170 -0.0082 -0.0037 677 LEU 88 CA 0.0161 -0.0068 -0.0022 678 LEU 88 C 0.0160 -0.0077 0.0000 679 LEU 88 O 0.0165 -0.0092 0.0007 680 LEU 88 CB 0.0159 -0.0060 -0.0026 681 LEU 88 CG 0.0150 -0.0046 -0.0010 682 LEU 88 CD1 0.0142 -0.0029 -0.0008 683 LEU 88 CD2 0.0148 -0.0039 -0.0018 684 ILE 89 N 0.0167 -0.0087 0.0022 685 ILE 89 CA 0.0158 -0.0098 0.0051 686 ILE 89 C 0.0163 -0.0082 0.0057 687 ILE 89 O 0.0156 -0.0095 0.0069 688 ILE 89 CB 0.0156 -0.0092 0.0080 689 ILE 89 CG1 0.0151 -0.0106 0.0076 690 ILE 89 CG2 0.0147 -0.0103 0.0112 691 ILE 89 CD1 0.0140 -0.0141 0.0068 692 ARG 90 N 0.0162 -0.0077 0.0055 693 ARG 90 CA 0.0163 -0.0061 0.0067 694 ARG 90 C 0.0161 -0.0039 0.0056 695 ARG 90 O 0.0160 -0.0033 0.0043 696 ARG 90 CB 0.0164 -0.0058 0.0089 697 ARG 90 CG 0.0165 -0.0044 0.0107 698 ARG 90 CD 0.0167 -0.0049 0.0129 699 ARG 90 NE 0.0168 -0.0072 0.0135 700 ARG 90 CZ 0.0168 -0.0088 0.0137 701 ARG 90 NH1 0.0168 -0.0086 0.0134 702 ARG 90 NH2 0.0169 -0.0108 0.0141 703 ILE 91 N 0.0148 -0.0059 0.0068 704 ILE 91 CA 0.0137 -0.0040 0.0063 705 ILE 91 C 0.0139 -0.0028 0.0080 706 ILE 91 O 0.0148 -0.0029 0.0097 707 ILE 91 CB 0.0131 -0.0030 0.0062 708 ILE 91 CG1 0.0129 -0.0042 0.0044 709 ILE 91 CG2 0.0120 -0.0009 0.0058 710 ILE 91 CD1 0.0127 -0.0038 0.0044 711 LYS 92 N 0.0124 -0.0019 0.0067 712 LYS 92 CA 0.0117 -0.0010 0.0078 713 LYS 92 C 0.0111 0.0004 0.0077 714 LYS 92 O 0.0112 0.0009 0.0065 715 LYS 92 CB 0.0116 -0.0006 0.0074 716 LYS 92 CG 0.0122 -0.0018 0.0075 717 LYS 92 CD 0.0120 -0.0012 0.0070 718 LYS 92 CE 0.0120 -0.0016 0.0080 719 LYS 92 NZ 0.0127 -0.0031 0.0079 720 GLY 93 N 0.0110 0.0009 0.0063 721 GLY 93 CA 0.0091 -0.0001 0.0071 722 GLY 93 C 0.0080 -0.0007 0.0064 723 GLY 93 O 0.0086 -0.0004 0.0049 724 GLU 94 N 0.0053 0.0013 0.0059 725 GLU 94 CA 0.0055 -0.0004 0.0039 726 GLU 94 C 0.0059 -0.0019 0.0024 727 GLU 94 O 0.0059 -0.0016 0.0028 728 GLU 94 CB 0.0072 -0.0019 0.0050 729 GLU 94 CG 0.0070 -0.0005 0.0067 730 GLU 94 CD 0.0087 -0.0020 0.0077 731 GLU 94 OE1 0.0085 -0.0017 0.0077 732 GLU 94 OE2 0.0103 -0.0035 0.0086 733 GLU 95 N -0.0012 -0.0038 0.0005 734 GLU 95 CA 0.0037 -0.0176 -0.0161 735 GLU 95 C 0.0187 -0.0272 -0.0014 736 GLU 95 O 0.0169 -0.0276 -0.0060 737 GLU 95 CB 0.0110 -0.0355 -0.0352 738 GLU 95 CG 0.0146 -0.0498 -0.0556 739 GLU 95 CD -0.0034 -0.0405 -0.0779 740 GLU 95 OE1 -0.0115 -0.0378 -0.0909 741 GLU 95 OE2 -0.0093 -0.0357 -0.0817 742 ALA 96 N 0.0186 -0.0229 -0.0043 743 ALA 96 CA 0.0178 -0.0253 0.0023 744 ALA 96 C 0.0114 -0.0193 0.0080 745 ALA 96 O 0.0098 -0.0181 0.0100 746 ALA 96 CB 0.0209 -0.0330 0.0084 747 GLY 97 N 0.0074 -0.0075 0.0086 748 GLY 97 CA 0.0055 -0.0013 0.0135 749 GLY 97 C 0.0048 0.0015 0.0147 750 GLY 97 O 0.0059 0.0001 0.0105 751 VAL 98 N 0.0038 0.0016 0.0099 752 VAL 98 CA 0.0043 0.0001 0.0088 753 VAL 98 C 0.0035 -0.0005 0.0076 754 VAL 98 O 0.0020 0.0001 0.0072 755 VAL 98 CB 0.0039 -0.0003 0.0082 756 VAL 98 CG1 0.0044 -0.0020 0.0069 757 VAL 98 CG2 0.0049 0.0002 0.0093 758 THR 99 N 0.0038 0.0000 0.0045 759 THR 99 CA 0.0031 -0.0008 0.0033 760 THR 99 C 0.0033 -0.0027 0.0019 761 THR 99 O 0.0024 -0.0034 0.0006 762 THR 99 CB 0.0039 -0.0009 0.0039 763 THR 99 OG1 0.0059 -0.0018 0.0046 764 THR 99 CG2 0.0035 0.0010 0.0051 765 ALA 100 N 0.0068 -0.0008 0.0028 766 ALA 100 CA 0.0079 -0.0012 0.0015 767 ALA 100 C 0.0093 -0.0021 0.0020 768 ALA 100 O 0.0096 -0.0024 0.0034 769 ALA 100 CB 0.0078 -0.0011 0.0008 770 VAL 101 N 0.0123 0.0011 0.0007 771 VAL 101 CA 0.0128 -0.0010 0.0008 772 VAL 101 C 0.0131 -0.0022 0.0011 773 VAL 101 O 0.0129 -0.0016 0.0005 774 VAL 101 CB 0.0128 -0.0018 -0.0011 775 VAL 101 CG1 0.0126 -0.0008 -0.0012 776 VAL 101 CG2 0.0126 -0.0016 -0.0031 777 GLU 102 N 0.0182 0.0015 0.0032 778 GLU 102 CA 0.0177 0.0000 0.0046 779 GLU 102 C 0.0174 -0.0025 0.0027 780 GLU 102 O 0.0171 -0.0043 0.0021 781 GLU 102 CB 0.0171 -0.0009 0.0075 782 GLU 102 CG 0.0166 -0.0024 0.0094 783 GLU 102 CD 0.0161 -0.0035 0.0121 784 GLU 102 OE1 0.0162 -0.0024 0.0129 785 GLU 102 OE2 0.0156 -0.0054 0.0134 786 VAL 103 N 0.0187 0.0027 0.0027 787 VAL 103 CA 0.0183 0.0003 0.0007 788 VAL 103 C 0.0179 -0.0015 0.0021 789 VAL 103 O 0.0180 -0.0004 0.0040 790 VAL 103 CB 0.0187 0.0013 -0.0025 791 VAL 103 CG1 0.0191 0.0030 -0.0040 792 VAL 103 CG2 0.0191 0.0031 -0.0024 793 ARG 104 N 0.0193 -0.0048 0.0026 794 ARG 104 CA 0.0173 -0.0059 0.0053 795 ARG 104 C 0.0224 -0.0128 -0.0024 796 ARG 104 O 0.0247 -0.0217 -0.0063 797 ARG 104 CB 0.0100 -0.0124 0.0149 798 ARG 104 CG 0.0073 -0.0146 0.0185 799 ARG 104 CD 0.0011 -0.0235 0.0265 800 ARG 104 NE -0.0049 -0.0177 0.0353 801 ARG 104 CZ -0.0111 -0.0233 0.0435 802 ARG 104 NH1 -0.0121 -0.0348 0.0441 803 ARG 104 NH2 -0.0163 -0.0170 0.0512 804 HIS 105 N 0.0195 -0.0114 -0.0010 805 HIS 105 CA 0.0212 -0.0170 -0.0057 806 HIS 105 C 0.0224 -0.0239 -0.0018 807 HIS 105 O 0.0220 -0.0244 0.0035 808 HIS 105 CB 0.0214 -0.0161 -0.0097 809 HIS 105 CG 0.0226 -0.0182 -0.0170 810 HIS 105 ND1 0.0220 -0.0135 -0.0220 811 HIS 105 CD2 0.0242 -0.0242 -0.0200 812 HIS 105 CE1 0.0233 -0.0168 -0.0279 813 HIS 105 NE2 0.0247 -0.0233 -0.0270 814 PRO 106 N 0.0223 -0.0259 -0.0014 815 PRO 106 CA 0.0281 -0.0337 0.0039 816 PRO 106 C 0.0318 -0.0461 0.0057 817 PRO 106 O 0.0277 -0.0534 -0.0014 818 PRO 106 CB 0.0234 -0.0354 -0.0024 819 PRO 106 CG 0.0169 -0.0237 -0.0078 820 PRO 106 CD 0.0149 -0.0214 -0.0098 821 GLY 107 N 0.0272 -0.0607 0.0185 822 GLY 107 CA 0.0306 -0.0684 0.0199 823 GLY 107 C 0.0228 -0.0525 0.0215 824 GLY 107 O 0.0240 -0.0577 0.0292 825 GLU 108 N 0.0178 -0.0401 0.0188 826 GLU 108 CA 0.0115 -0.0242 0.0197 827 GLU 108 C 0.0025 -0.0204 0.0375 828 GLU 108 O -0.0010 -0.0147 0.0410 829 GLU 108 CB 0.0098 -0.0086 0.0102 830 GLU 108 CG 0.0175 -0.0070 -0.0092 831 GLU 108 CD 0.0179 -0.0013 -0.0151 832 GLU 108 OE1 0.0115 0.0042 -0.0048 833 GLU 108 OE2 0.0248 -0.0023 -0.0304 834 SER 109 N -0.0038 -0.0272 0.0436 835 SER 109 CA -0.0250 -0.0279 0.0631 836 SER 109 C -0.0245 -0.0061 0.0689 837 SER 109 O -0.0365 -0.0113 0.0785 838 SER 109 CB -0.0442 -0.0275 0.0812 839 SER 109 OG -0.0643 -0.0364 0.0974 840 ASP 110 N -0.0270 0.0060 0.0567 841 ASP 110 CA -0.0228 0.0250 0.0595 842 ASP 110 C -0.0025 0.0202 0.0418 843 ASP 110 O 0.0151 0.0136 0.0259 844 ASP 110 CB -0.0188 0.0555 0.0661 845 ASP 110 CG -0.0416 0.0623 0.0864 846 ASP 110 OD1 -0.0569 0.0620 0.0983 847 ASP 110 OD2 -0.0441 0.0680 0.0901 848 SER 111 N 0.0088 0.0015 0.0334 849 SER 111 CA 0.0127 0.0013 0.0282 850 SER 111 C 0.0179 0.0061 0.0283 851 SER 111 O 0.0185 0.0098 0.0327 852 SER 111 CB 0.0121 -0.0004 0.0265 853 SER 111 OG 0.0075 -0.0050 0.0260 854 GLN 112 N 0.0188 0.0036 0.0109 855 GLN 112 CA 0.0186 0.0065 0.0093 856 GLN 112 C 0.0191 0.0106 0.0086 857 GLN 112 O 0.0184 0.0110 0.0072 858 GLN 112 CB 0.0165 0.0052 0.0056 859 GLN 112 CG 0.0163 0.0067 0.0047 860 GLN 112 CD 0.0143 0.0071 0.0006 861 GLN 112 OE1 0.0138 0.0098 -0.0014 862 GLN 112 NE2 0.0131 0.0041 -0.0007 863 GLU 113 N 0.0145 0.0033 0.0028 864 GLU 113 CA 0.0137 0.0026 0.0037 865 GLU 113 C 0.0135 0.0024 0.0039 866 GLU 113 O 0.0132 0.0028 0.0031 867 GLU 113 CB 0.0123 0.0024 0.0035 868 GLU 113 CG 0.0115 0.0016 0.0046 869 GLU 113 CD 0.0105 0.0014 0.0046 870 GLU 113 OE1 0.0109 0.0014 0.0047 871 GLU 113 OE2 0.0093 0.0012 0.0046 872 LEU 114 N 0.0091 0.0036 -0.0047 873 LEU 114 CA 0.0092 0.0045 -0.0058 874 LEU 114 C 0.0086 0.0049 -0.0050 875 LEU 114 O 0.0086 0.0040 -0.0042 876 LEU 114 CB 0.0102 0.0035 -0.0069 877 LEU 114 CG 0.0110 0.0031 -0.0080 878 LEU 114 CD1 0.0119 0.0019 -0.0088 879 LEU 114 CD2 0.0109 0.0045 -0.0092 880 LEU 115 N 0.0007 -0.0026 -0.0065 881 LEU 115 CA 0.0007 0.0013 -0.0058 882 LEU 115 C -0.0011 0.0029 -0.0082 883 LEU 115 O -0.0027 0.0021 -0.0111 884 LEU 115 CB 0.0005 0.0035 -0.0056 885 LEU 115 CG 0.0022 0.0021 -0.0032 886 LEU 115 CD1 0.0015 0.0031 -0.0040 887 LEU 115 CD2 0.0041 0.0035 0.0003 888 ALA 116 N -0.0023 0.0011 -0.0090 889 ALA 116 CA -0.0024 0.0012 -0.0090 890 ALA 116 C -0.0030 0.0020 -0.0071 891 ALA 116 O -0.0028 0.0018 -0.0055 892 ALA 116 CB -0.0010 -0.0003 -0.0092 893 GLU 117 N -0.0103 0.0020 -0.0103 894 GLU 117 CA -0.0129 0.0021 -0.0047 895 GLU 117 C -0.0096 0.0018 0.0005 896 GLU 117 O -0.0102 0.0017 0.0054 897 GLU 117 CB -0.0192 0.0024 -0.0044 898 GLU 117 CG -0.0232 0.0027 -0.0085 899 GLU 117 CD -0.0288 0.0030 -0.0102 900 GLU 117 OE1 -0.0284 0.0030 -0.0139 901 GLU 117 OE2 -0.0335 0.0032 -0.0076 902 GLY 118 N -0.0110 0.0018 -0.0072 903 GLY 118 CA -0.0089 0.0002 -0.0057 904 GLY 118 C -0.0061 -0.0008 -0.0066 905 GLY 118 O -0.0051 -0.0002 -0.0091 906 VAL 119 N -0.0016 0.0010 -0.0048 907 VAL 119 CA -0.0000 -0.0004 -0.0052 908 VAL 119 C 0.0001 -0.0001 -0.0045 909 VAL 119 O 0.0004 0.0007 -0.0028 910 VAL 119 CB 0.0017 -0.0012 -0.0043 911 VAL 119 CG1 0.0031 -0.0027 -0.0050 912 VAL 119 CG2 0.0014 -0.0013 -0.0049 913 PHE 120 N -0.0018 -0.0023 -0.0100 914 PHE 120 CA -0.0004 -0.0028 -0.0080 915 PHE 120 C 0.0025 -0.0025 -0.0083 916 PHE 120 O 0.0037 -0.0019 -0.0102 917 PHE 120 CB -0.0010 -0.0028 -0.0079 918 PHE 120 CG -0.0038 -0.0032 -0.0073 919 PHE 120 CD1 -0.0058 -0.0028 -0.0092 920 PHE 120 CD2 -0.0044 -0.0039 -0.0048 921 PHE 120 CE1 -0.0084 -0.0032 -0.0085 922 PHE 120 CE2 -0.0070 -0.0042 -0.0042 923 PHE 120 CZ -0.0090 -0.0039 -0.0061 924 VAL 121 N 0.0025 -0.0021 -0.0088 925 VAL 121 CA 0.0032 -0.0044 -0.0084 926 VAL 121 C 0.0026 -0.0048 -0.0096 927 VAL 121 O 0.0026 -0.0035 -0.0092 928 VAL 121 CB 0.0047 -0.0046 -0.0061 929 VAL 121 CG1 0.0054 -0.0071 -0.0058 930 VAL 121 CG2 0.0053 -0.0041 -0.0049 931 TYR 122 N -0.0010 -0.0042 -0.0130 932 TYR 122 CA -0.0009 -0.0047 -0.0137 933 TYR 122 C -0.0023 -0.0047 -0.0134 934 TYR 122 O -0.0023 -0.0041 -0.0128 935 TYR 122 CB 0.0004 -0.0044 -0.0135 936 TYR 122 CG 0.0017 -0.0045 -0.0138 937 TYR 122 CD1 0.0021 -0.0054 -0.0149 938 TYR 122 CD2 0.0025 -0.0037 -0.0129 939 TYR 122 CE1 0.0033 -0.0054 -0.0152 940 TYR 122 CE2 0.0037 -0.0038 -0.0132 941 TYR 122 CZ 0.0040 -0.0047 -0.0143 942 TYR 122 OH 0.0052 -0.0047 -0.0145 943 LEU 123 N -0.0045 -0.0075 -0.0137 944 LEU 123 CA -0.0037 -0.0117 -0.0129 945 LEU 123 C -0.0034 -0.0134 -0.0128 946 LEU 123 O -0.0033 -0.0118 -0.0108 947 LEU 123 CB -0.0027 -0.0126 -0.0089 948 LEU 123 CG -0.0029 -0.0110 -0.0086 949 LEU 123 CD1 -0.0020 -0.0115 -0.0043 950 LEU 123 CD2 -0.0032 -0.0132 -0.0115 951 GLN 124 N -0.0073 -0.0187 -0.0130 952 GLN 124 CA -0.0094 -0.0163 -0.0148 953 GLN 124 C -0.0042 -0.0177 -0.0108 954 GLN 124 O -0.0004 -0.0232 -0.0073 955 GLN 124 CB -0.0160 -0.0208 -0.0194 956 GLN 124 CG -0.0214 -0.0183 -0.0238 957 GLN 124 CD -0.0278 -0.0236 -0.0281 958 GLN 124 OE1 -0.0278 -0.0311 -0.0274 959 GLN 124 NE2 -0.0334 -0.0196 -0.0328 960 GLY 125 N -0.0016 -0.0168 -0.0024 961 GLY 125 CA 0.0044 -0.0130 -0.0038 962 GLY 125 C 0.0061 -0.0076 0.0027 963 GLY 125 O 0.0029 -0.0065 0.0082 964 SER 126 N 0.0119 0.0014 0.0011 965 SER 126 CA 0.0150 0.0104 0.0061 966 SER 126 C 0.0133 0.0062 0.0058 967 SER 126 O 0.0163 0.0135 0.0053 968 SER 126 CB 0.0204 0.0219 -0.0023 969 SER 126 OG 0.0207 0.0194 -0.0157 970 LYS 127 N 0.0086 -0.0048 0.0040 971 LYS 127 CA 0.0058 -0.0120 0.0022 972 LYS 127 C 0.0055 -0.0202 0.0107 973 LYS 127 O 0.0076 -0.0201 0.0179 974 LYS 127 CB 0.0015 -0.0167 -0.0075 975 LYS 127 CG 0.0013 -0.0092 -0.0165 976 LYS 127 CD 0.0014 -0.0054 -0.0208 977 LYS 127 CE 0.0035 0.0052 -0.0253 978 LYS 127 NZ 0.0075 0.0118 -0.0189 979 LYS 127 OXT 0.0030 -0.0272 0.0098