1 SER 1 N 0.1283 0.2158 -0.1409 2 SER 1 CA 0.1182 0.1546 -0.1229 3 SER 1 C 0.0765 0.1352 -0.0849 4 SER 1 O 0.0724 0.1422 -0.0826 5 SER 1 CB 0.1605 0.1101 -0.1512 6 SER 1 OG 0.1618 0.0608 -0.1445 7 ASN 2 N 0.0765 0.0915 0.0415 8 ASN 2 CA 0.0617 0.0803 0.0384 9 ASN 2 C 0.0528 0.0589 0.0278 10 ASN 2 O 0.0329 0.0547 0.0302 11 ASN 2 CB 0.0417 0.0926 0.0508 12 ASN 2 CG 0.0239 0.0812 0.0484 13 ASN 2 ND2 0.0081 0.0921 0.0589 14 ASN 2 OD1 0.0241 0.0631 0.0375 15 VAL 3 N 0.0591 0.0543 -0.0187 16 VAL 3 CA 0.0604 0.0238 -0.0178 17 VAL 3 C 0.0438 0.0209 -0.0055 18 VAL 3 O 0.0463 0.0341 -0.0081 19 VAL 3 CB 0.0844 0.0122 -0.0347 20 VAL 3 CG1 0.0879 -0.0183 -0.0355 21 VAL 3 CG2 0.1031 0.0299 -0.0494 22 PRO 4 N 0.0232 0.0122 0.0044 23 PRO 4 CA 0.0189 0.0099 0.0059 24 PRO 4 C 0.0231 0.0036 0.0037 25 PRO 4 O 0.0277 -0.0010 0.0015 26 PRO 4 CB 0.0112 0.0065 0.0086 27 PRO 4 CG 0.0111 0.0088 0.0089 28 PRO 4 CD 0.0194 0.0091 0.0056 29 HIS 5 N 0.0126 0.0032 0.0095 30 HIS 5 CA 0.0126 0.0015 0.0112 31 HIS 5 C 0.0126 0.0010 0.0117 32 HIS 5 O 0.0115 0.0012 0.0106 33 HIS 5 CB 0.0108 0.0001 0.0111 34 HIS 5 CG 0.0103 -0.0017 0.0126 35 HIS 5 CD2 0.0094 -0.0028 0.0130 36 HIS 5 ND1 0.0109 -0.0027 0.0141 37 HIS 5 CE1 0.0103 -0.0043 0.0153 38 HIS 5 NE2 0.0094 -0.0044 0.0146 39 LYS 6 N 0.0063 -0.0045 -0.0035 40 LYS 6 CA 0.0074 -0.0032 -0.0029 41 LYS 6 C 0.0067 -0.0007 -0.0029 42 LYS 6 O 0.0049 -0.0001 -0.0037 43 LYS 6 CB 0.0071 -0.0041 -0.0031 44 LYS 6 CG 0.0086 -0.0060 -0.0026 45 LYS 6 CD 0.0080 -0.0071 -0.0030 46 LYS 6 CE 0.0089 -0.0096 -0.0029 47 LYS 6 NZ 0.0095 -0.0101 -0.0027 48 SER 7 N -0.0006 0.0003 0.0017 49 SER 7 CA 0.0008 -0.0013 -0.0005 50 SER 7 C -0.0010 -0.0011 -0.0035 51 SER 7 O -0.0021 -0.0008 -0.0047 52 SER 7 CB 0.0031 -0.0030 -0.0009 53 SER 7 OG 0.0054 -0.0039 0.0009 54 SER 8 N -0.0070 0.0018 -0.0171 55 SER 8 CA -0.0076 0.0010 -0.0174 56 SER 8 C -0.0058 0.0034 -0.0170 57 SER 8 O -0.0043 0.0057 -0.0178 58 SER 8 CB -0.0089 0.0003 -0.0208 59 SER 8 OG -0.0110 -0.0025 -0.0209 60 LEU 9 N -0.0083 0.0035 -0.0153 61 LEU 9 CA -0.0063 0.0056 -0.0153 62 LEU 9 C -0.0075 0.0061 -0.0174 63 LEU 9 O -0.0081 0.0051 -0.0170 64 LEU 9 CB -0.0049 0.0051 -0.0127 65 LEU 9 CG -0.0037 0.0046 -0.0105 66 LEU 9 CD1 -0.0033 0.0031 -0.0081 67 LEU 9 CD2 -0.0016 0.0068 -0.0105 68 PRO 10 N -0.0104 0.0103 -0.0180 69 PRO 10 CA -0.0121 0.0127 -0.0202 70 PRO 10 C -0.0083 0.0155 -0.0163 71 PRO 10 O -0.0081 0.0129 -0.0158 72 PRO 10 CB -0.0154 0.0182 -0.0245 73 PRO 10 CG -0.0171 0.0160 -0.0261 74 PRO 10 CD -0.0128 0.0135 -0.0210 75 GLU 11 N -0.0163 0.0181 -0.0140 76 GLU 11 CA -0.0094 0.0227 -0.0027 77 GLU 11 C 0.0004 0.0202 -0.0179 78 GLU 11 O 0.0018 0.0219 -0.0129 79 GLU 11 CB -0.0281 0.0228 0.0102 80 GLU 11 CG -0.0226 0.0302 0.0318 81 GLU 11 CD -0.0143 0.0359 0.0460 82 GLU 11 OE1 0.0050 0.0392 0.0443 83 GLU 11 OE2 -0.0271 0.0372 0.0590 84 GLY 12 N -0.0049 0.0116 -0.0186 85 GLY 12 CA -0.0026 0.0100 -0.0187 86 GLY 12 C -0.0036 0.0111 -0.0183 87 GLY 12 O -0.0064 0.0124 -0.0188 88 ILE 13 N -0.0048 0.0112 -0.0155 89 ILE 13 CA -0.0023 0.0120 -0.0146 90 ILE 13 C -0.0012 0.0126 -0.0146 91 ILE 13 O -0.0023 0.0119 -0.0144 92 ILE 13 CB -0.0017 0.0110 -0.0121 93 ILE 13 CG1 -0.0007 0.0106 -0.0102 94 ILE 13 CG2 -0.0038 0.0096 -0.0115 95 ILE 13 CD1 0.0001 0.0098 -0.0078 96 ARG 14 N -0.0006 0.0173 -0.0136 97 ARG 14 CA 0.0008 0.0181 -0.0135 98 ARG 14 C 0.0028 0.0186 -0.0126 99 ARG 14 O 0.0030 0.0185 -0.0124 100 ARG 14 CB 0.0006 0.0196 -0.0152 101 ARG 14 CG -0.0012 0.0197 -0.0167 102 ARG 14 CD -0.0012 0.0213 -0.0184 103 ARG 14 NE -0.0005 0.0226 -0.0193 104 ARG 14 CZ 0.0010 0.0240 -0.0198 105 ARG 14 NH1 0.0020 0.0244 -0.0194 106 ARG 14 NH2 0.0014 0.0251 -0.0206 107 PRO 15 N 0.0047 0.0199 -0.0121 108 PRO 15 CA 0.0071 0.0204 -0.0112 109 PRO 15 C 0.0071 0.0219 -0.0124 110 PRO 15 O 0.0068 0.0237 -0.0141 111 PRO 15 CB 0.0089 0.0214 -0.0110 112 PRO 15 CG 0.0077 0.0205 -0.0109 113 PRO 15 CD 0.0049 0.0201 -0.0122 114 GLY 16 N 0.0073 0.0193 -0.0121 115 GLY 16 CA 0.0077 0.0201 -0.0130 116 GLY 16 C 0.0053 0.0190 -0.0121 117 GLY 16 O 0.0055 0.0193 -0.0124 118 THR 17 N 0.0031 0.0166 -0.0114 119 THR 17 CA 0.0011 0.0155 -0.0107 120 THR 17 C 0.0019 0.0135 -0.0092 121 THR 17 O 0.0031 0.0125 -0.0083 122 THR 17 CB -0.0009 0.0151 -0.0105 123 THR 17 CG2 -0.0029 0.0138 -0.0096 124 THR 17 OG1 -0.0019 0.0170 -0.0119 125 VAL 18 N 0.0008 0.0104 -0.0049 126 VAL 18 CA 0.0016 0.0077 -0.0035 127 VAL 18 C -0.0008 0.0068 -0.0016 128 VAL 18 O -0.0026 0.0076 -0.0011 129 VAL 18 CB 0.0032 0.0067 -0.0037 130 VAL 18 CG1 0.0039 0.0040 -0.0022 131 VAL 18 CG2 0.0057 0.0075 -0.0056 132 LEU 19 N -0.0000 0.0050 0.0005 133 LEU 19 CA -0.0016 0.0040 0.0016 134 LEU 19 C -0.0015 0.0018 0.0020 135 LEU 19 O -0.0000 0.0007 0.0014 136 LEU 19 CB -0.0014 0.0040 0.0015 137 LEU 19 CG -0.0028 0.0054 0.0020 138 LEU 19 CD1 -0.0025 0.0077 0.0013 139 LEU 19 CD2 -0.0027 0.0048 0.0020 140 ARG 20 N -0.0018 -0.0009 0.0069 141 ARG 20 CA -0.0013 -0.0041 0.0079 142 ARG 20 C -0.0024 -0.0040 0.0107 143 ARG 20 O -0.0035 -0.0033 0.0132 144 ARG 20 CB -0.0009 -0.0064 0.0086 145 ARG 20 CG 0.0000 -0.0098 0.0089 146 ARG 20 CD 0.0001 -0.0120 0.0104 147 ARG 20 NE -0.0013 -0.0111 0.0134 148 ARG 20 CZ -0.0015 -0.0120 0.0147 149 ARG 20 NH1 -0.0004 -0.0139 0.0133 150 ARG 20 NH2 -0.0028 -0.0111 0.0174 151 ILE 21 N -0.0026 -0.0054 0.0110 152 ILE 21 CA -0.0031 -0.0054 0.0126 153 ILE 21 C -0.0032 -0.0082 0.0129 154 ILE 21 O -0.0026 -0.0097 0.0110 155 ILE 21 CB -0.0027 -0.0036 0.0113 156 ILE 21 CG1 -0.0025 -0.0007 0.0110 157 ILE 21 CG2 -0.0032 -0.0037 0.0129 158 ILE 21 CD1 -0.0015 0.0002 0.0082 159 ARG 22 N -0.0036 -0.0097 0.0169 160 ARG 22 CA -0.0032 -0.0123 0.0181 161 ARG 22 C -0.0037 -0.0112 0.0202 162 ARG 22 O -0.0042 -0.0091 0.0219 163 ARG 22 CB -0.0030 -0.0144 0.0198 164 ARG 22 CG -0.0025 -0.0162 0.0177 165 ARG 22 CD -0.0022 -0.0187 0.0194 166 ARG 22 NE -0.0018 -0.0200 0.0175 167 ARG 22 CZ -0.0016 -0.0215 0.0186 168 ARG 22 NH1 -0.0019 -0.0219 0.0216 169 ARG 22 NH2 -0.0012 -0.0226 0.0167 170 GLY 23 N -0.0053 -0.0120 0.0230 171 GLY 23 CA -0.0052 -0.0111 0.0238 172 GLY 23 C -0.0057 -0.0139 0.0222 173 GLY 23 O -0.0063 -0.0168 0.0208 174 LEU 24 N -0.0054 -0.0137 0.0235 175 LEU 24 CA -0.0063 -0.0170 0.0206 176 LEU 24 C -0.0044 -0.0132 0.0177 177 LEU 24 O -0.0031 -0.0090 0.0202 178 LEU 24 CB -0.0080 -0.0201 0.0250 179 LEU 24 CG -0.0085 -0.0219 0.0230 180 LEU 24 CD1 -0.0105 -0.0278 0.0210 181 LEU 24 CD2 -0.0087 -0.0209 0.0278 182 VAL 25 N -0.0062 -0.0133 0.0131 183 VAL 25 CA -0.0043 -0.0097 0.0093 184 VAL 25 C -0.0043 -0.0097 0.0098 185 VAL 25 O -0.0064 -0.0132 0.0083 186 VAL 25 CB -0.0052 -0.0105 0.0032 187 VAL 25 CG1 -0.0029 -0.0062 -0.0005 188 VAL 25 CG2 -0.0056 -0.0112 0.0028 189 PRO 26 N -0.0015 -0.0068 0.0114 190 PRO 26 CA -0.0009 -0.0060 0.0121 191 PRO 26 C -0.0021 -0.0063 0.0062 192 PRO 26 O -0.0020 -0.0045 0.0015 193 PRO 26 CB 0.0026 -0.0005 0.0143 194 PRO 26 CG 0.0035 0.0002 0.0173 195 PRO 26 CD 0.0013 -0.0026 0.0137 196 PRO 27 N -0.0039 -0.0084 0.0066 197 PRO 27 CA -0.0055 -0.0092 0.0002 198 PRO 27 C -0.0030 -0.0039 -0.0055 199 PRO 27 O -0.0046 -0.0047 -0.0116 200 PRO 27 CB -0.0060 -0.0107 0.0030 201 PRO 27 CG -0.0068 -0.0138 0.0100 202 PRO 27 CD -0.0043 -0.0107 0.0129 203 ASN 28 N 0.0010 0.0011 -0.0042 204 ASN 28 CA 0.0033 0.0063 -0.0090 205 ASN 28 C 0.0055 0.0087 -0.0084 206 ASN 28 O 0.0088 0.0137 -0.0101 207 ASN 28 CB 0.0069 0.0105 -0.0084 208 ASN 28 CG 0.0106 0.0119 -0.0017 209 ASN 28 ND2 0.0148 0.0170 -0.0016 210 ASN 28 OD1 0.0097 0.0084 0.0033 211 ALA 29 N 0.0033 0.0052 -0.0061 212 ALA 29 CA 0.0050 0.0072 -0.0055 213 ALA 29 C 0.0055 0.0097 -0.0110 214 ALA 29 O 0.0033 0.0081 -0.0153 215 ALA 29 CB 0.0028 0.0036 -0.0032 216 SER 30 N 0.0089 0.0115 -0.0113 217 SER 30 CA 0.0101 0.0133 -0.0149 218 SER 30 C 0.0093 0.0122 -0.0130 219 SER 30 O 0.0071 0.0114 -0.0155 220 SER 30 CB 0.0147 0.0165 -0.0153 221 SER 30 OG 0.0162 0.0183 -0.0181 222 ARG 31 N 0.0083 0.0125 -0.0103 223 ARG 31 CA 0.0085 0.0128 -0.0079 224 ARG 31 C 0.0092 0.0134 -0.0039 225 ARG 31 O 0.0102 0.0138 -0.0033 226 ARG 31 CB 0.0114 0.0138 -0.0093 227 ARG 31 CG 0.0149 0.0152 -0.0095 228 ARG 31 CD 0.0176 0.0161 -0.0113 229 ARG 31 NE 0.0169 0.0155 -0.0152 230 ARG 31 CZ 0.0191 0.0162 -0.0176 231 ARG 31 NH1 0.0223 0.0176 -0.0166 232 ARG 31 NH2 0.0181 0.0156 -0.0211 233 PHE 32 N 0.0058 0.0116 -0.0005 234 PHE 32 CA 0.0069 0.0112 0.0023 235 PHE 32 C 0.0065 0.0108 0.0021 236 PHE 32 O 0.0052 0.0105 -0.0003 237 PHE 32 CB 0.0065 0.0088 0.0046 238 PHE 32 CG 0.0044 0.0061 0.0042 239 PHE 32 CD1 0.0028 0.0049 0.0025 240 PHE 32 CD2 0.0041 0.0045 0.0056 241 PHE 32 CE1 0.0009 0.0022 0.0022 242 PHE 32 CE2 0.0022 0.0019 0.0053 243 PHE 32 CZ 0.0006 0.0008 0.0037 244 HIS 33 N 0.0040 0.0091 0.0062 245 HIS 33 CA 0.0027 0.0084 0.0040 246 HIS 33 C 0.0035 0.0066 0.0036 247 HIS 33 O 0.0049 0.0064 0.0051 248 HIS 33 CB 0.0008 0.0106 0.0035 249 HIS 33 CG 0.0011 0.0119 0.0050 250 HIS 33 CD2 0.0009 0.0118 0.0045 251 HIS 33 ND1 0.0019 0.0133 0.0071 252 HIS 33 CE1 0.0021 0.0141 0.0080 253 HIS 33 NE2 0.0015 0.0132 0.0064 254 VAL 34 N 0.0018 0.0044 0.0041 255 VAL 34 CA 0.0021 0.0035 0.0041 256 VAL 34 C 0.0015 0.0034 0.0038 257 VAL 34 O 0.0007 0.0034 0.0034 258 VAL 34 CB 0.0020 0.0026 0.0039 259 VAL 34 CG1 0.0023 0.0017 0.0039 260 VAL 34 CG2 0.0025 0.0027 0.0042 261 ASN 35 N 0.0003 0.0017 0.0022 262 ASN 35 CA -0.0010 0.0012 0.0017 263 ASN 35 C -0.0009 0.0005 0.0003 264 ASN 35 O -0.0002 0.0004 -0.0003 265 ASN 35 CB -0.0020 0.0011 0.0021 266 ASN 35 CG -0.0026 0.0017 0.0035 267 ASN 35 ND2 -0.0032 0.0018 0.0039 268 ASN 35 OD1 -0.0026 0.0020 0.0041 269 LEU 36 N -0.0026 -0.0003 -0.0005 270 LEU 36 CA -0.0028 -0.0005 -0.0023 271 LEU 36 C -0.0045 -0.0019 -0.0023 272 LEU 36 O -0.0051 -0.0024 -0.0010 273 LEU 36 CB -0.0019 0.0002 -0.0021 274 LEU 36 CG -0.0002 0.0016 -0.0021 275 LEU 36 CD1 0.0004 0.0021 -0.0024 276 LEU 36 CD2 0.0004 0.0020 -0.0036 277 LEU 37 N -0.0072 -0.0025 -0.0052 278 LEU 37 CA -0.0094 -0.0044 -0.0053 279 LEU 37 C -0.0101 -0.0054 -0.0074 280 LEU 37 O -0.0089 -0.0048 -0.0093 281 LEU 37 CB -0.0099 -0.0049 -0.0056 282 LEU 37 CG -0.0092 -0.0038 -0.0035 283 LEU 37 CD1 -0.0089 -0.0038 -0.0044 284 LEU 37 CD2 -0.0106 -0.0046 -0.0011 285 CYS 38 N -0.0131 -0.0084 -0.0073 286 CYS 38 CA -0.0139 -0.0095 -0.0090 287 CYS 38 C -0.0149 -0.0108 -0.0109 288 CYS 38 O -0.0158 -0.0119 -0.0121 289 CYS 38 CB -0.0151 -0.0104 -0.0074 290 CYS 38 SG -0.0141 -0.0090 -0.0050 291 GLY 39 N -0.0160 -0.0134 -0.0108 292 GLY 39 CA -0.0163 -0.0154 -0.0133 293 GLY 39 C -0.0155 -0.0144 -0.0143 294 GLY 39 O -0.0150 -0.0125 -0.0127 295 GLU 40 N -0.0092 -0.0180 -0.0186 296 GLU 40 CA -0.0084 -0.0170 -0.0205 297 GLU 40 C -0.0083 -0.0180 -0.0207 298 GLU 40 O -0.0077 -0.0173 -0.0222 299 GLU 40 CB -0.0075 -0.0174 -0.0228 300 GLU 40 CG -0.0074 -0.0161 -0.0229 301 GLU 40 CD -0.0064 -0.0159 -0.0253 302 GLU 40 OE1 -0.0057 -0.0155 -0.0269 303 GLU 40 OE2 -0.0062 -0.0163 -0.0257 304 GLU 41 N -0.0056 -0.0235 -0.0221 305 GLU 41 CA -0.0068 -0.0242 -0.0210 306 GLU 41 C -0.0081 -0.0188 -0.0176 307 GLU 41 O -0.0102 -0.0163 -0.0143 308 GLU 41 CB -0.0104 -0.0298 -0.0190 309 GLU 41 CG -0.0102 -0.0351 -0.0212 310 GLU 41 CD -0.0127 -0.0356 -0.0185 311 GLU 41 OE1 -0.0143 -0.0315 -0.0152 312 GLU 41 OE2 -0.0130 -0.0401 -0.0198 313 GLN 42 N 0.0106 -0.0290 -0.0295 314 GLN 42 CA -0.0038 0.0053 -0.0358 315 GLN 42 C -0.0288 -0.0044 -0.0086 316 GLN 42 O -0.0209 -0.0342 0.0008 317 GLN 42 CB 0.0225 0.0139 -0.0634 318 GLN 42 CG 0.0259 0.0540 -0.0883 319 GLN 42 CD 0.0607 0.0558 -0.1197 320 GLN 42 NE2 0.0699 0.0820 -0.1421 321 GLN 42 OE1 0.0787 0.0340 -0.1235 322 GLY 43 N -0.0209 -0.0040 -0.0009 323 GLY 43 CA -0.0280 -0.0057 0.0053 324 GLY 43 C -0.0303 -0.0100 0.0031 325 GLY 43 O -0.0370 -0.0136 0.0067 326 SER 44 N -0.0229 -0.0133 -0.0007 327 SER 44 CA -0.0231 -0.0145 -0.0033 328 SER 44 C -0.0228 -0.0136 -0.0016 329 SER 44 O -0.0219 -0.0120 0.0012 330 SER 44 CB -0.0201 -0.0149 -0.0061 331 SER 44 OG -0.0210 -0.0162 -0.0084 332 ASP 45 N -0.0209 -0.0137 -0.0040 333 ASP 45 CA -0.0187 -0.0128 -0.0018 334 ASP 45 C -0.0149 -0.0109 -0.0020 335 ASP 45 O -0.0140 -0.0102 -0.0047 336 ASP 45 CB -0.0189 -0.0128 -0.0036 337 ASP 45 CG -0.0225 -0.0146 -0.0034 338 ASP 45 OD1 -0.0244 -0.0158 -0.0008 339 ASP 45 OD2 -0.0234 -0.0148 -0.0060 340 ALA 46 N -0.0121 -0.0084 0.0004 341 ALA 46 CA -0.0090 -0.0065 0.0005 342 ALA 46 C -0.0071 -0.0054 0.0008 343 ALA 46 O -0.0070 -0.0056 0.0035 344 ALA 46 CB -0.0082 -0.0064 0.0036 345 ALA 47 N -0.0067 -0.0041 -0.0006 346 ALA 47 CA -0.0048 -0.0027 -0.0004 347 ALA 47 C -0.0028 -0.0023 0.0015 348 ALA 47 O -0.0013 -0.0020 0.0028 349 ALA 47 CB -0.0043 -0.0010 -0.0028 350 LEU 48 N -0.0015 -0.0010 0.0020 351 LEU 48 CA -0.0004 -0.0005 0.0030 352 LEU 48 C -0.0008 -0.0009 0.0034 353 LEU 48 O -0.0013 -0.0010 0.0024 354 LEU 48 CB 0.0008 0.0006 0.0023 355 LEU 48 CG 0.0019 0.0013 0.0031 356 LEU 48 CD1 0.0026 0.0014 0.0045 357 LEU 48 CD2 0.0028 0.0024 0.0020 358 HIS 49 N 0.0014 -0.0011 0.0051 359 HIS 49 CA 0.0019 -0.0002 0.0050 360 HIS 49 C 0.0016 0.0008 0.0052 361 HIS 49 O 0.0008 0.0011 0.0057 362 HIS 49 CB 0.0015 0.0000 0.0052 363 HIS 49 CG 0.0019 0.0010 0.0051 364 HIS 49 CD2 0.0015 0.0019 0.0054 365 HIS 49 ND1 0.0028 0.0012 0.0047 366 HIS 49 CE1 0.0030 0.0022 0.0047 367 HIS 49 NE2 0.0022 0.0026 0.0052 368 PHE 50 N 0.0029 0.0030 0.0034 369 PHE 50 CA 0.0026 0.0024 0.0031 370 PHE 50 C 0.0027 0.0025 0.0032 371 PHE 50 O 0.0028 0.0025 0.0039 372 PHE 50 CB 0.0024 0.0018 0.0035 373 PHE 50 CG 0.0021 0.0011 0.0034 374 PHE 50 CD1 0.0019 0.0008 0.0027 375 PHE 50 CD2 0.0020 0.0007 0.0039 376 PHE 50 CE1 0.0016 0.0002 0.0025 377 PHE 50 CE2 0.0017 0.0001 0.0038 378 PHE 50 CZ 0.0015 -0.0001 0.0031 379 ASN 51 N 0.0048 0.0031 0.0036 380 ASN 51 CA 0.0053 0.0039 0.0024 381 ASN 51 C 0.0040 0.0042 0.0010 382 ASN 51 O 0.0037 0.0048 -0.0002 383 ASN 51 CB 0.0068 0.0047 0.0018 384 ASN 51 CG 0.0073 0.0057 0.0004 385 ASN 51 ND2 0.0073 0.0058 0.0002 386 ASN 51 OD1 0.0077 0.0064 -0.0006 387 PRO 52 N 0.0036 0.0040 -0.0019 388 PRO 52 CA 0.0018 0.0037 -0.0039 389 PRO 52 C 0.0029 0.0050 -0.0056 390 PRO 52 O 0.0043 0.0056 -0.0047 391 PRO 52 CB 0.0003 0.0021 -0.0023 392 PRO 52 CG 0.0010 0.0015 0.0004 393 PRO 52 CD 0.0035 0.0029 0.0007 394 ARG 53 N 0.0032 0.0056 -0.0090 395 ARG 53 CA 0.0044 0.0068 -0.0118 396 ARG 53 C 0.0021 0.0083 -0.0137 397 ARG 53 O 0.0001 0.0089 -0.0139 398 ARG 53 CB 0.0056 0.0068 -0.0123 399 ARG 53 CG 0.0084 0.0055 -0.0111 400 ARG 53 CD 0.0088 0.0052 -0.0106 401 ARG 53 NE 0.0111 0.0038 -0.0090 402 ARG 53 CZ 0.0120 0.0034 -0.0084 403 ARG 53 NH1 0.0106 0.0041 -0.0093 404 ARG 53 NH2 0.0141 0.0021 -0.0068 405 LEU 54 N 0.0010 0.0056 -0.0177 406 LEU 54 CA -0.0012 0.0045 -0.0197 407 LEU 54 C -0.0009 0.0068 -0.0236 408 LEU 54 O -0.0032 0.0061 -0.0264 409 LEU 54 CB -0.0008 0.0036 -0.0171 410 LEU 54 CG -0.0016 0.0010 -0.0134 411 LEU 54 CD1 -0.0009 0.0004 -0.0108 412 LEU 54 CD2 -0.0051 -0.0017 -0.0144 413 ASP 55 N 0.0030 0.0091 -0.0245 414 ASP 55 CA 0.0042 0.0110 -0.0291 415 ASP 55 C 0.0036 0.0114 -0.0318 416 ASP 55 O 0.0022 0.0119 -0.0359 417 ASP 55 CB 0.0088 0.0132 -0.0292 418 ASP 55 CG 0.0121 0.0139 -0.0259 419 ASP 55 OD1 0.0111 0.0128 -0.0237 420 ASP 55 OD2 0.0158 0.0157 -0.0256 421 THR 56 N 0.0043 0.0111 -0.0267 422 THR 56 CA 0.0035 0.0113 -0.0278 423 THR 56 C -0.0007 0.0100 -0.0262 424 THR 56 O -0.0021 0.0098 -0.0267 425 THR 56 CB 0.0068 0.0113 -0.0259 426 THR 56 CG2 0.0105 0.0129 -0.0285 427 THR 56 OG1 0.0082 0.0104 -0.0220 428 SER 57 N -0.0005 0.0067 -0.0236 429 SER 57 CA -0.0040 0.0062 -0.0219 430 SER 57 C -0.0037 0.0058 -0.0192 431 SER 57 O -0.0055 0.0058 -0.0198 432 SER 57 CB -0.0070 0.0065 -0.0247 433 SER 57 OG -0.0087 0.0066 -0.0255 434 GLU 58 N -0.0014 0.0054 -0.0128 435 GLU 58 CA -0.0016 0.0043 -0.0107 436 GLU 58 C 0.0002 0.0031 -0.0082 437 GLU 58 O 0.0025 0.0033 -0.0085 438 GLU 58 CB -0.0004 0.0048 -0.0116 439 GLU 58 CG 0.0028 0.0045 -0.0109 440 GLU 58 CD 0.0045 0.0057 -0.0130 441 GLU 58 OE1 0.0032 0.0062 -0.0141 442 GLU 58 OE2 0.0070 0.0061 -0.0137 443 VAL 59 N 0.0011 0.0013 -0.0049 444 VAL 59 CA 0.0020 0.0008 -0.0031 445 VAL 59 C 0.0033 0.0006 -0.0021 446 VAL 59 O 0.0025 0.0004 -0.0015 447 VAL 59 CB 0.0004 0.0003 -0.0016 448 VAL 59 CG1 0.0014 -0.0002 0.0003 449 VAL 59 CG2 -0.0010 0.0006 -0.0027 450 VAL 60 N 0.0030 0.0016 0.0013 451 VAL 60 CA 0.0041 0.0002 0.0028 452 VAL 60 C 0.0045 -0.0004 0.0041 453 VAL 60 O 0.0047 -0.0004 0.0032 454 VAL 60 CB 0.0057 -0.0010 0.0016 455 VAL 60 CG1 0.0069 -0.0024 0.0031 456 VAL 60 CG2 0.0053 -0.0004 0.0004 457 PHE 61 N 0.0045 -0.0013 0.0063 458 PHE 61 CA 0.0044 -0.0016 0.0060 459 PHE 61 C 0.0043 -0.0026 0.0063 460 PHE 61 O 0.0042 -0.0028 0.0070 461 PHE 61 CB 0.0045 -0.0011 0.0065 462 PHE 61 CG 0.0046 -0.0002 0.0061 463 PHE 61 CD1 0.0047 0.0005 0.0064 464 PHE 61 CD2 0.0047 0.0001 0.0056 465 PHE 61 CE1 0.0049 0.0014 0.0061 466 PHE 61 CE2 0.0049 0.0009 0.0053 467 PHE 61 CZ 0.0049 0.0016 0.0056 468 ASN 62 N 0.0029 -0.0033 0.0096 469 ASN 62 CA 0.0023 -0.0054 0.0101 470 ASN 62 C 0.0010 -0.0054 0.0081 471 ASN 62 O 0.0004 -0.0042 0.0061 472 ASN 62 CB 0.0016 -0.0079 0.0107 473 ASN 62 CG 0.0017 -0.0098 0.0124 474 ASN 62 ND2 0.0015 -0.0118 0.0134 475 ASN 62 OD1 0.0021 -0.0096 0.0128 476 SER 63 N -0.0020 -0.0070 0.0106 477 SER 63 CA -0.0040 -0.0073 0.0080 478 SER 63 C -0.0065 -0.0097 0.0087 479 SER 63 O -0.0066 -0.0110 0.0113 480 SER 63 CB -0.0034 -0.0062 0.0068 481 SER 63 OG -0.0039 -0.0075 0.0085 482 LYS 64 N -0.0108 -0.0097 0.0074 483 LYS 64 CA -0.0138 -0.0116 0.0081 484 LYS 64 C -0.0158 -0.0123 0.0055 485 LYS 64 O -0.0162 -0.0119 0.0027 486 LYS 64 CB -0.0144 -0.0120 0.0080 487 LYS 64 CG -0.0173 -0.0140 0.0090 488 LYS 64 CD -0.0185 -0.0143 0.0072 489 LYS 64 CE -0.0189 -0.0151 0.0095 490 LYS 64 NZ -0.0211 -0.0161 0.0080 491 GLU 65 N -0.0183 -0.0136 0.0092 492 GLU 65 CA -0.0202 -0.0155 0.0070 493 GLU 65 C -0.0234 -0.0193 0.0075 494 GLU 65 O -0.0243 -0.0209 0.0111 495 GLU 65 CB -0.0192 -0.0146 0.0087 496 GLU 65 CG -0.0212 -0.0168 0.0076 497 GLU 65 CD -0.0199 -0.0150 0.0049 498 GLU 65 OE1 -0.0180 -0.0129 0.0067 499 GLU 65 OE2 -0.0209 -0.0156 0.0009 500 GLN 66 N -0.0256 -0.0171 0.0032 501 GLN 66 CA -0.0302 -0.0259 0.0022 502 GLN 66 C -0.0302 -0.0199 0.0065 503 GLN 66 O -0.0375 -0.0242 0.0121 504 GLN 66 CB -0.0408 -0.0352 0.0080 505 GLN 66 CG -0.0437 -0.0481 0.0020 506 GLN 66 CD -0.0476 -0.0583 -0.0008 507 GLN 66 NE2 -0.0465 -0.0685 -0.0097 508 GLN 66 OE1 -0.0516 -0.0569 0.0049 509 GLY 67 N -0.0290 -0.0203 0.0079 510 GLY 67 CA -0.0296 -0.0210 0.0097 511 GLY 67 C -0.0282 -0.0210 0.0120 512 GLY 67 O -0.0280 -0.0212 0.0132 513 SER 68 N -0.0285 -0.0228 0.0116 514 SER 68 CA -0.0264 -0.0216 0.0166 515 SER 68 C -0.0216 -0.0188 0.0164 516 SER 68 O -0.0204 -0.0181 0.0129 517 SER 68 CB -0.0292 -0.0233 0.0198 518 SER 68 OG -0.0298 -0.0235 0.0174 519 TRP 69 N -0.0196 -0.0194 0.0155 520 TRP 69 CA -0.0147 -0.0162 0.0160 521 TRP 69 C -0.0135 -0.0157 0.0176 522 TRP 69 O -0.0165 -0.0177 0.0181 523 TRP 69 CB -0.0124 -0.0154 0.0202 524 TRP 69 CG -0.0127 -0.0153 0.0187 525 TRP 69 CD1 -0.0154 -0.0174 0.0207 526 TRP 69 CD2 -0.0099 -0.0128 0.0152 527 TRP 69 CE2 -0.0112 -0.0137 0.0153 528 TRP 69 CE3 -0.0066 -0.0100 0.0120 529 TRP 69 NE1 -0.0145 -0.0165 0.0187 530 TRP 69 CZ2 -0.0092 -0.0118 0.0124 531 TRP 69 CZ3 -0.0046 -0.0082 0.0091 532 TRP 69 CH2 -0.0059 -0.0091 0.0093 533 GLY 70 N -0.0047 -0.0155 0.0148 534 GLY 70 CA -0.0015 -0.0142 0.0152 535 GLY 70 C 0.0011 -0.0155 0.0164 536 GLY 70 O 0.0006 -0.0180 0.0172 537 ARG 71 N 0.0058 -0.0154 0.0161 538 ARG 71 CA 0.0072 -0.0147 0.0176 539 ARG 71 C 0.0067 -0.0130 0.0163 540 ARG 71 O 0.0064 -0.0108 0.0151 541 ARG 71 CB 0.0089 -0.0131 0.0192 542 ARG 71 CG 0.0105 -0.0137 0.0216 543 ARG 71 CD 0.0111 -0.0122 0.0218 544 ARG 71 NE 0.0113 -0.0093 0.0210 545 ARG 71 CZ 0.0124 -0.0077 0.0219 546 ARG 71 NH1 0.0135 -0.0086 0.0236 547 ARG 71 NH2 0.0125 -0.0051 0.0210 548 GLU 72 N 0.0073 -0.0124 0.0144 549 GLU 72 CA 0.0061 -0.0110 0.0131 550 GLU 72 C 0.0054 -0.0093 0.0140 551 GLU 72 O 0.0057 -0.0094 0.0148 552 GLU 72 CB 0.0060 -0.0119 0.0110 553 GLU 72 CG 0.0058 -0.0117 0.0106 554 GLU 72 CD 0.0059 -0.0129 0.0087 555 GLU 72 OE1 0.0063 -0.0140 0.0077 556 GLU 72 OE2 0.0058 -0.0129 0.0082 557 GLU 73 N 0.0074 -0.0062 0.0109 558 GLU 73 CA 0.0078 -0.0039 0.0120 559 GLU 73 C 0.0074 -0.0027 0.0106 560 GLU 73 O 0.0066 -0.0026 0.0084 561 GLU 73 CB 0.0079 -0.0021 0.0121 562 GLU 73 CG 0.0082 -0.0032 0.0129 563 GLU 73 CD 0.0083 -0.0014 0.0130 564 GLU 73 OE1 0.0082 0.0008 0.0127 565 GLU 73 OE2 0.0084 -0.0023 0.0133 566 ARG 74 N 0.0032 -0.0021 0.0047 567 ARG 74 CA 0.0031 -0.0007 0.0036 568 ARG 74 C 0.0023 0.0002 0.0040 569 ARG 74 O 0.0016 -0.0000 0.0053 570 ARG 74 CB 0.0028 0.0001 0.0033 571 ARG 74 CG 0.0034 0.0009 0.0017 572 ARG 74 CD 0.0036 0.0009 0.0013 573 ARG 74 NE 0.0040 -0.0005 0.0020 574 ARG 74 CZ 0.0049 -0.0013 0.0013 575 ARG 74 NH1 0.0055 -0.0008 -0.0001 576 ARG 74 NH2 0.0052 -0.0025 0.0019 577 GLY 75 N 0.0036 0.0012 0.0009 578 GLY 75 CA 0.0019 -0.0005 0.0014 579 GLY 75 C 0.0005 -0.0011 -0.0003 580 GLY 75 O 0.0009 -0.0003 -0.0019 581 PRO 76 N 0.0024 -0.0027 -0.0011 582 PRO 76 CA 0.0011 -0.0036 -0.0025 583 PRO 76 C -0.0009 -0.0043 -0.0036 584 PRO 76 O -0.0028 -0.0039 -0.0030 585 PRO 76 CB 0.0003 -0.0028 -0.0012 586 PRO 76 CG 0.0011 -0.0015 0.0009 587 PRO 76 CD 0.0017 -0.0015 0.0009 588 GLY 77 N -0.0037 -0.0052 -0.0077 589 GLY 77 CA -0.0077 -0.0061 -0.0115 590 GLY 77 C -0.0078 -0.0058 -0.0108 591 GLY 77 O -0.0043 -0.0050 -0.0075 592 VAL 78 N -0.0090 -0.0077 -0.0145 593 VAL 78 CA -0.0076 -0.0075 -0.0127 594 VAL 78 C -0.0087 -0.0092 -0.0114 595 VAL 78 O -0.0095 -0.0096 -0.0120 596 VAL 78 CB -0.0065 -0.0061 -0.0136 597 VAL 78 CG1 -0.0049 -0.0056 -0.0118 598 VAL 78 CG2 -0.0059 -0.0046 -0.0154 599 PRO 79 N -0.0052 -0.0102 -0.0064 600 PRO 79 CA -0.0074 -0.0108 -0.0048 601 PRO 79 C -0.0086 -0.0109 -0.0035 602 PRO 79 O -0.0101 -0.0109 -0.0017 603 PRO 79 CB -0.0070 -0.0096 -0.0030 604 PRO 79 CG -0.0045 -0.0083 -0.0037 605 PRO 79 CD -0.0034 -0.0084 -0.0052 606 PHE 80 N -0.0090 -0.0130 -0.0095 607 PHE 80 CA -0.0093 -0.0129 -0.0077 608 PHE 80 C -0.0103 -0.0142 -0.0110 609 PHE 80 O -0.0093 -0.0143 -0.0147 610 PHE 80 CB -0.0058 -0.0102 -0.0063 611 PHE 80 CG -0.0045 -0.0087 -0.0031 612 PHE 80 CD1 -0.0056 -0.0086 0.0010 613 PHE 80 CD2 -0.0022 -0.0074 -0.0043 614 PHE 80 CE1 -0.0044 -0.0072 0.0041 615 PHE 80 CE2 -0.0010 -0.0060 -0.0013 616 PHE 80 CZ -0.0021 -0.0059 0.0029 617 GLN 81 N -0.0147 -0.0191 -0.0105 618 GLN 81 CA -0.0161 -0.0203 -0.0148 619 GLN 81 C -0.0142 -0.0186 -0.0102 620 GLN 81 O -0.0149 -0.0197 -0.0032 621 GLN 81 CB -0.0223 -0.0264 -0.0166 622 GLN 81 CG -0.0239 -0.0277 -0.0233 623 GLN 81 CD -0.0289 -0.0328 -0.0216 624 GLN 81 NE2 -0.0279 -0.0319 -0.0204 625 GLN 81 OE1 -0.0336 -0.0376 -0.0212 626 ARG 82 N -0.0147 -0.0173 -0.0122 627 ARG 82 CA -0.0117 -0.0151 -0.0088 628 ARG 82 C -0.0131 -0.0192 -0.0048 629 ARG 82 O -0.0166 -0.0230 -0.0065 630 ARG 82 CB -0.0105 -0.0113 -0.0128 631 ARG 82 CG -0.0069 -0.0058 -0.0139 632 ARG 82 CD -0.0073 -0.0029 -0.0201 633 ARG 82 NE -0.0037 0.0024 -0.0210 634 ARG 82 CZ -0.0036 0.0052 -0.0257 635 ARG 82 NH1 -0.0068 0.0032 -0.0302 636 ARG 82 NH2 -0.0002 0.0100 -0.0260 637 GLY 83 N -0.0114 -0.0185 0.0005 638 GLY 83 CA -0.0126 -0.0229 0.0058 639 GLY 83 C -0.0150 -0.0284 0.0074 640 GLY 83 O -0.0164 -0.0328 0.0114 641 GLN 84 N -0.0142 -0.0267 0.0058 642 GLN 84 CA -0.0167 -0.0315 0.0071 643 GLN 84 C -0.0150 -0.0292 0.0115 644 GLN 84 O -0.0120 -0.0235 0.0115 645 GLN 84 CB -0.0186 -0.0336 -0.0002 646 GLN 84 CG -0.0219 -0.0398 0.0000 647 GLN 84 CD -0.0250 -0.0450 -0.0030 648 GLN 84 NE2 -0.0277 -0.0494 -0.0064 649 GLN 84 OE1 -0.0249 -0.0451 -0.0022 650 PRO 85 N -0.0156 -0.0344 0.0128 651 PRO 85 CA -0.0147 -0.0307 0.0164 652 PRO 85 C -0.0131 -0.0298 0.0124 653 PRO 85 O -0.0138 -0.0335 0.0079 654 PRO 85 CB -0.0179 -0.0339 0.0220 655 PRO 85 CG -0.0206 -0.0402 0.0201 656 PRO 85 CD -0.0190 -0.0405 0.0138 657 PHE 86 N -0.0080 -0.0192 0.0126 658 PHE 86 CA -0.0072 -0.0185 0.0104 659 PHE 86 C -0.0071 -0.0170 0.0126 660 PHE 86 O -0.0073 -0.0157 0.0156 661 PHE 86 CB -0.0056 -0.0160 0.0078 662 PHE 86 CG -0.0046 -0.0126 0.0096 663 PHE 86 CD1 -0.0039 -0.0103 0.0103 664 PHE 86 CD2 -0.0045 -0.0117 0.0106 665 PHE 86 CE1 -0.0030 -0.0072 0.0121 666 PHE 86 CE2 -0.0036 -0.0086 0.0124 667 PHE 86 CZ -0.0029 -0.0064 0.0131 668 GLU 87 N -0.0032 -0.0131 0.0097 669 GLU 87 CA -0.0030 -0.0130 0.0107 670 GLU 87 C -0.0033 -0.0117 0.0079 671 GLU 87 O -0.0039 -0.0129 0.0054 672 GLU 87 CB -0.0034 -0.0162 0.0115 673 GLU 87 CG -0.0034 -0.0162 0.0115 674 GLU 87 CD -0.0037 -0.0190 0.0131 675 GLU 87 OE1 -0.0044 -0.0213 0.0115 676 GLU 87 OE2 -0.0032 -0.0189 0.0159 677 VAL 88 N -0.0017 -0.0089 0.0080 678 VAL 88 CA -0.0010 -0.0076 0.0063 679 VAL 88 C -0.0010 -0.0065 0.0064 680 VAL 88 O -0.0015 -0.0058 0.0080 681 VAL 88 CB -0.0009 -0.0060 0.0062 682 VAL 88 CG1 -0.0003 -0.0042 0.0048 683 VAL 88 CG2 -0.0007 -0.0069 0.0054 684 LEU 89 N 0.0014 -0.0037 0.0045 685 LEU 89 CA 0.0015 -0.0035 0.0051 686 LEU 89 C 0.0020 -0.0024 0.0041 687 LEU 89 O 0.0019 -0.0024 0.0028 688 LEU 89 CB 0.0009 -0.0048 0.0049 689 LEU 89 CG 0.0003 -0.0061 0.0058 690 LEU 89 CD1 -0.0001 -0.0071 0.0054 691 LEU 89 CD2 0.0006 -0.0059 0.0075 692 ILE 90 N 0.0018 0.0013 0.0028 693 ILE 90 CA 0.0025 0.0023 0.0021 694 ILE 90 C 0.0028 0.0040 0.0014 695 ILE 90 O 0.0017 0.0051 0.0018 696 ILE 90 CB 0.0014 0.0028 0.0026 697 ILE 90 CG1 0.0013 0.0011 0.0032 698 ILE 90 CG2 0.0021 0.0043 0.0018 699 ILE 90 CD1 -0.0002 0.0012 0.0040 700 ILE 91 N 0.0045 0.0055 0.0007 701 ILE 91 CA 0.0053 0.0080 -0.0004 702 ILE 91 C 0.0062 0.0095 -0.0011 703 ILE 91 O 0.0083 0.0088 -0.0013 704 ILE 91 CB 0.0074 0.0080 -0.0008 705 ILE 91 CG1 0.0065 0.0065 -0.0001 706 ILE 91 CG2 0.0080 0.0107 -0.0019 707 ILE 91 CD1 0.0088 0.0055 -0.0002 708 ALA 92 N 0.0052 0.0117 -0.0042 709 ALA 92 CA 0.0056 0.0123 -0.0045 710 ALA 92 C 0.0077 0.0145 -0.0052 711 ALA 92 O 0.0075 0.0165 -0.0063 712 ALA 92 CB 0.0029 0.0130 -0.0055 713 SER 93 N 0.0090 0.0152 -0.0036 714 SER 93 CA 0.0110 0.0171 -0.0040 715 SER 93 C 0.0107 0.0170 -0.0041 716 SER 93 O 0.0091 0.0155 -0.0037 717 SER 93 CB 0.0137 0.0169 -0.0026 718 SER 93 OG 0.0146 0.0154 -0.0012 719 ASP 94 N 0.0126 0.0194 -0.0052 720 ASP 94 CA 0.0125 0.0197 -0.0055 721 ASP 94 C 0.0132 0.0166 -0.0031 722 ASP 94 O 0.0115 0.0157 -0.0032 723 ASP 94 CB 0.0153 0.0229 -0.0064 724 ASP 94 CG 0.0190 0.0236 -0.0055 725 ASP 94 OD1 0.0192 0.0219 -0.0043 726 ASP 94 OD2 0.0216 0.0258 -0.0060 727 ASP 95 N 0.0144 0.0171 -0.0009 728 ASP 95 CA 0.0150 0.0146 0.0012 729 ASP 95 C 0.0139 0.0120 0.0022 730 ASP 95 O 0.0147 0.0099 0.0042 731 ASP 95 CB 0.0181 0.0153 0.0030 732 ASP 95 CG 0.0198 0.0159 0.0038 733 ASP 95 OD1 0.0186 0.0157 0.0030 734 ASP 95 OD2 0.0224 0.0166 0.0052 735 GLY 96 N 0.0118 0.0112 0.0010 736 GLY 96 CA 0.0108 0.0090 0.0020 737 GLY 96 C 0.0095 0.0092 0.0012 738 GLY 96 O 0.0091 0.0111 -0.0002 739 PHE 97 N 0.0082 0.0068 0.0019 740 PHE 97 CA 0.0072 0.0068 0.0014 741 PHE 97 C 0.0084 0.0065 0.0021 742 PHE 97 O 0.0092 0.0053 0.0032 743 PHE 97 CB 0.0056 0.0052 0.0013 744 PHE 97 CG 0.0041 0.0054 0.0005 745 PHE 97 CD1 0.0031 0.0066 -0.0007 746 PHE 97 CD2 0.0038 0.0042 0.0009 747 PHE 97 CE1 0.0018 0.0068 -0.0015 748 PHE 97 CE2 0.0025 0.0043 0.0001 749 PHE 97 CZ 0.0014 0.0056 -0.0011 750 LYS 98 N 0.0075 0.0057 0.0026 751 LYS 98 CA 0.0089 0.0044 0.0032 752 LYS 98 C 0.0069 0.0028 0.0037 753 LYS 98 O 0.0049 0.0037 0.0032 754 LYS 98 CB 0.0101 0.0061 0.0026 755 LYS 98 CG 0.0115 0.0082 0.0018 756 LYS 98 CD 0.0132 0.0095 0.0014 757 LYS 98 CE 0.0119 0.0116 0.0006 758 LYS 98 NZ 0.0138 0.0134 -0.0000 759 ALA 99 N 0.0062 0.0010 0.0033 760 ALA 99 CA 0.0049 -0.0003 0.0039 761 ALA 99 C 0.0047 -0.0017 0.0038 762 ALA 99 O 0.0058 -0.0026 0.0029 763 ALA 99 CB 0.0053 -0.0011 0.0036 764 VAL 100 N 0.0052 -0.0030 0.0053 765 VAL 100 CA 0.0032 -0.0047 0.0049 766 VAL 100 C 0.0012 -0.0065 0.0044 767 VAL 100 O 0.0001 -0.0058 0.0057 768 VAL 100 CB 0.0014 -0.0035 0.0070 769 VAL 100 CG1 -0.0009 -0.0053 0.0066 770 VAL 100 CG2 0.0033 -0.0016 0.0077 771 VAL 101 N -0.0025 -0.0078 0.0010 772 VAL 101 CA -0.0041 -0.0094 0.0012 773 VAL 101 C -0.0063 -0.0123 0.0011 774 VAL 101 O -0.0061 -0.0138 -0.0010 775 VAL 101 CB -0.0027 -0.0098 -0.0012 776 VAL 101 CG1 -0.0044 -0.0115 -0.0007 777 VAL 101 CG2 -0.0004 -0.0070 -0.0012 778 GLY 102 N -0.0059 -0.0135 -0.0008 779 GLY 102 CA -0.0138 -0.0173 -0.0011 780 GLY 102 C -0.0227 -0.0217 -0.0013 781 GLY 102 O -0.0288 -0.0211 -0.0083 782 ASP 103 N -0.0113 -0.0119 0.0017 783 ASP 103 CA -0.0285 -0.0110 0.0150 784 ASP 103 C -0.0095 -0.0107 0.0049 785 ASP 103 O -0.0259 -0.0116 0.0115 786 ASP 103 CB -0.0693 -0.0210 0.0038 787 ASP 103 CG -0.0952 -0.0177 0.0308 788 ASP 103 OD1 -0.0922 -0.0167 0.0329 789 ASP 103 OD2 -0.1182 -0.0161 0.0504 790 ALA 104 N -0.0108 -0.0122 0.0044 791 ALA 104 CA -0.0054 -0.0120 0.0015 792 ALA 104 C 0.0001 -0.0085 0.0019 793 ALA 104 O 0.0008 -0.0082 0.0018 794 ALA 104 CB -0.0049 -0.0170 -0.0038 795 GLN 105 N 0.0025 -0.0063 0.0024 796 GLN 105 CA 0.0047 -0.0043 0.0022 797 GLN 105 C 0.0062 -0.0063 0.0007 798 GLN 105 O 0.0075 -0.0082 -0.0008 799 GLN 105 CB 0.0069 -0.0026 0.0020 800 GLN 105 CG 0.0098 -0.0014 0.0011 801 GLN 105 CD 0.0096 0.0013 0.0024 802 GLN 105 NE2 0.0104 0.0012 0.0020 803 GLN 105 OE1 0.0088 0.0035 0.0037 804 TYR 106 N 0.0015 -0.0049 0.0013 805 TYR 106 CA 0.0018 -0.0047 0.0007 806 TYR 106 C 0.0024 -0.0038 -0.0001 807 TYR 106 O 0.0027 -0.0040 -0.0010 808 TYR 106 CB 0.0015 -0.0045 0.0017 809 TYR 106 CG 0.0017 -0.0043 0.0012 810 TYR 106 CD1 0.0017 -0.0052 0.0006 811 TYR 106 CD2 0.0020 -0.0032 0.0014 812 TYR 106 CE1 0.0019 -0.0050 0.0002 813 TYR 106 CE2 0.0022 -0.0030 0.0009 814 TYR 106 CZ 0.0022 -0.0039 0.0003 815 TYR 106 OH 0.0024 -0.0037 -0.0001 816 HIS 107 N 0.0073 -0.0005 0.0045 817 HIS 107 CA 0.0076 -0.0004 0.0045 818 HIS 107 C 0.0074 0.0003 0.0042 819 HIS 107 O 0.0069 0.0007 0.0040 820 HIS 107 CB 0.0071 -0.0010 0.0047 821 HIS 107 CG 0.0074 -0.0011 0.0047 822 HIS 107 CD2 0.0070 -0.0010 0.0046 823 HIS 107 ND1 0.0081 -0.0014 0.0049 824 HIS 107 CE1 0.0081 -0.0014 0.0049 825 HIS 107 NE2 0.0075 -0.0011 0.0048 826 HIS 108 N 0.0125 0.0012 0.0053 827 HIS 108 CA 0.0124 0.0032 0.0050 828 HIS 108 C 0.0124 0.0021 0.0052 829 HIS 108 O 0.0139 0.0006 0.0058 830 HIS 108 CB 0.0146 0.0050 0.0052 831 HIS 108 CG 0.0145 0.0072 0.0049 832 HIS 108 CD2 0.0130 0.0090 0.0042 833 HIS 108 ND1 0.0160 0.0076 0.0052 834 HIS 108 CE1 0.0155 0.0096 0.0047 835 HIS 108 NE2 0.0137 0.0105 0.0041 836 PHE 109 N 0.0108 0.0034 0.0064 837 PHE 109 CA 0.0096 0.0025 0.0066 838 PHE 109 C 0.0093 0.0034 0.0056 839 PHE 109 O 0.0087 0.0042 0.0044 840 PHE 109 CB 0.0080 0.0018 0.0064 841 PHE 109 CG 0.0067 0.0007 0.0068 842 PHE 109 CD1 0.0068 -0.0006 0.0081 843 PHE 109 CD2 0.0055 0.0010 0.0058 844 PHE 109 CE1 0.0056 -0.0016 0.0084 845 PHE 109 CE2 0.0043 0.0000 0.0061 846 PHE 109 CZ 0.0043 -0.0013 0.0074 847 ARG 110 N 0.0117 0.0018 0.0079 848 ARG 110 CA 0.0117 0.0040 0.0067 849 ARG 110 C 0.0084 0.0033 0.0055 850 ARG 110 O 0.0068 0.0005 0.0063 851 ARG 110 CB 0.0148 0.0041 0.0081 852 ARG 110 CG 0.0180 0.0062 0.0085 853 ARG 110 CD 0.0210 0.0066 0.0097 854 ARG 110 NE 0.0239 0.0058 0.0115 855 ARG 110 CZ 0.0266 0.0081 0.0115 856 ARG 110 NH1 0.0266 0.0112 0.0098 857 ARG 110 NH2 0.0292 0.0072 0.0131 858 HIS 111 N 0.0082 0.0045 0.0047 859 HIS 111 CA 0.0058 0.0037 0.0034 860 HIS 111 C 0.0051 0.0017 0.0047 861 HIS 111 O 0.0065 0.0019 0.0056 862 HIS 111 CB 0.0054 0.0058 0.0014 863 HIS 111 CG 0.0055 0.0076 -0.0002 864 HIS 111 CD2 0.0067 0.0100 -0.0013 865 HIS 111 ND1 0.0043 0.0071 -0.0008 866 HIS 111 CE1 0.0047 0.0091 -0.0021 867 HIS 111 NE2 0.0062 0.0108 -0.0025 868 ARG 112 N 0.0032 -0.0006 0.0044 869 ARG 112 CA 0.0023 -0.0025 0.0054 870 ARG 112 C 0.0006 -0.0028 0.0036 871 ARG 112 O 0.0002 -0.0032 0.0037 872 ARG 112 CB 0.0017 -0.0041 0.0066 873 ARG 112 CG 0.0033 -0.0041 0.0087 874 ARG 112 CD 0.0029 -0.0054 0.0097 875 ARG 112 NE 0.0046 -0.0051 0.0115 876 ARG 112 CZ 0.0046 -0.0063 0.0129 877 ARG 112 NH1 0.0030 -0.0079 0.0127 878 ARG 112 NH2 0.0062 -0.0058 0.0144 879 LEU 113 N -0.0035 -0.0031 0.0020 880 LEU 113 CA -0.0056 -0.0032 -0.0004 881 LEU 113 C -0.0046 -0.0004 -0.0024 882 LEU 113 O -0.0027 0.0012 -0.0019 883 LEU 113 CB -0.0077 -0.0044 -0.0015 884 LEU 113 CG -0.0086 -0.0068 0.0003 885 LEU 113 CD1 -0.0114 -0.0084 -0.0012 886 LEU 113 CD2 -0.0079 -0.0083 0.0028 887 PRO 114 N -0.0051 -0.0012 -0.0034 888 PRO 114 CA -0.0039 0.0008 -0.0057 889 PRO 114 C -0.0039 0.0017 -0.0073 890 PRO 114 O -0.0056 0.0007 -0.0080 891 PRO 114 CB -0.0055 0.0005 -0.0074 892 PRO 114 CG -0.0077 -0.0017 -0.0063 893 PRO 114 CD -0.0076 -0.0027 -0.0041 894 LEU 115 N -0.0021 0.0048 -0.0062 895 LEU 115 CA -0.0021 0.0062 -0.0081 896 LEU 115 C -0.0038 0.0056 -0.0106 897 LEU 115 O -0.0046 0.0055 -0.0120 898 LEU 115 CB -0.0004 0.0088 -0.0086 899 LEU 115 CG 0.0013 0.0103 -0.0073 900 LEU 115 CD1 0.0024 0.0129 -0.0087 901 LEU 115 CD2 0.0008 0.0097 -0.0073 902 ALA 116 N -0.0048 0.0045 -0.0111 903 ALA 116 CA -0.0064 0.0039 -0.0135 904 ALA 116 C -0.0083 0.0023 -0.0136 905 ALA 116 O -0.0092 0.0022 -0.0157 906 ALA 116 CB -0.0072 0.0035 -0.0143 907 ARG 117 N -0.0095 -0.0015 -0.0144 908 ARG 117 CA -0.0119 -0.0034 -0.0143 909 ARG 117 C -0.0114 -0.0031 -0.0141 910 ARG 117 O -0.0133 -0.0045 -0.0146 911 ARG 117 CB -0.0130 -0.0055 -0.0114 912 ARG 117 CG -0.0139 -0.0062 -0.0116 913 ARG 117 CD -0.0158 -0.0086 -0.0094 914 ARG 117 NE -0.0179 -0.0101 -0.0098 915 ARG 117 CZ -0.0186 -0.0116 -0.0075 916 ARG 117 NH1 -0.0173 -0.0118 -0.0044 917 ARG 117 NH2 -0.0206 -0.0129 -0.0082 918 VAL 118 N -0.0073 -0.0001 -0.0111 919 VAL 118 CA -0.0066 0.0002 -0.0107 920 VAL 118 C -0.0070 0.0005 -0.0129 921 VAL 118 O -0.0065 0.0014 -0.0146 922 VAL 118 CB -0.0045 0.0015 -0.0098 923 VAL 118 CG1 -0.0039 0.0018 -0.0093 924 VAL 118 CG2 -0.0041 0.0012 -0.0077 925 ARG 119 N -0.0082 -0.0016 -0.0126 926 ARG 119 CA -0.0082 -0.0015 -0.0149 927 ARG 119 C -0.0071 -0.0009 -0.0146 928 ARG 119 O -0.0067 -0.0005 -0.0165 929 ARG 119 CB -0.0106 -0.0030 -0.0159 930 ARG 119 CG -0.0114 -0.0035 -0.0180 931 ARG 119 CD -0.0137 -0.0049 -0.0173 932 ARG 119 NE -0.0141 -0.0052 -0.0185 933 ARG 119 CZ -0.0157 -0.0062 -0.0176 934 ARG 119 NH1 -0.0169 -0.0070 -0.0156 935 ARG 119 NH2 -0.0160 -0.0063 -0.0188 936 LEU 120 N -0.0053 -0.0031 -0.0115 937 LEU 120 CA -0.0044 -0.0022 -0.0116 938 LEU 120 C -0.0034 -0.0012 -0.0094 939 LEU 120 O -0.0037 -0.0014 -0.0074 940 LEU 120 CB -0.0057 -0.0035 -0.0122 941 LEU 120 CG -0.0068 -0.0045 -0.0102 942 LEU 120 CD1 -0.0075 -0.0052 -0.0110 943 LEU 120 CD2 -0.0083 -0.0059 -0.0095 944 VAL 121 N -0.0001 -0.0025 -0.0021 945 VAL 121 CA 0.0007 -0.0017 -0.0006 946 VAL 121 C 0.0006 -0.0014 0.0002 947 VAL 121 O 0.0008 -0.0016 -0.0006 948 VAL 121 CB 0.0024 -0.0009 -0.0010 949 VAL 121 CG1 0.0030 -0.0001 0.0005 950 VAL 121 CG2 0.0027 -0.0012 -0.0025 951 GLU 122 N 0.0022 -0.0011 0.0022 952 GLU 122 CA 0.0029 0.0005 0.0031 953 GLU 122 C 0.0031 0.0021 0.0040 954 GLU 122 O 0.0017 0.0023 0.0043 955 GLU 122 CB 0.0012 0.0009 0.0035 956 GLU 122 CG 0.0021 0.0022 0.0042 957 GLU 122 CD 0.0004 0.0033 0.0050 958 GLU 122 OE1 -0.0015 0.0030 0.0050 959 GLU 122 OE2 0.0010 0.0045 0.0056 960 VAL 123 N 0.0054 0.0035 0.0093 961 VAL 123 CA 0.0047 0.0054 0.0091 962 VAL 123 C 0.0065 0.0086 0.0095 963 VAL 123 O 0.0093 0.0086 0.0102 964 VAL 123 CB 0.0058 0.0037 0.0094 965 VAL 123 CG1 0.0048 0.0056 0.0091 966 VAL 123 CG2 0.0046 0.0003 0.0091 967 GLY 124 N 0.0064 0.0118 0.0069 968 GLY 124 CA 0.0083 0.0178 0.0102 969 GLY 124 C 0.0066 0.0207 0.0092 970 GLY 124 O 0.0042 0.0177 0.0061 971 GLY 125 N 0.0124 0.0329 0.0099 972 GLY 125 CA 0.0113 0.0350 0.0093 973 GLY 125 C 0.0124 0.0355 0.0095 974 GLY 125 O 0.0144 0.0347 0.0101 975 ASP 126 N 0.0133 0.0191 0.0083 976 ASP 126 CA 0.0104 0.0144 0.0091 977 ASP 126 C 0.0074 0.0096 0.0109 978 ASP 126 O 0.0056 0.0062 0.0070 979 ASP 126 CB 0.0100 0.0131 0.0032 980 ASP 126 CG 0.0129 0.0178 0.0010 981 ASP 126 OD1 0.0148 0.0212 0.0049 982 ASP 126 OD2 0.0134 0.0180 -0.0046 983 VAL 127 N 0.0053 0.0086 0.0160 984 VAL 127 CA 0.0043 0.0041 0.0169 985 VAL 127 C 0.0047 0.0030 0.0223 986 VAL 127 O 0.0058 0.0062 0.0252 987 VAL 127 CB 0.0040 0.0040 0.0145 988 VAL 127 CG1 0.0052 0.0080 0.0165 989 VAL 127 CG2 0.0029 -0.0008 0.0154 990 GLN 128 N -0.0008 0.0003 0.0251 991 GLN 128 CA -0.0002 -0.0017 0.0313 992 GLN 128 C -0.0005 -0.0040 0.0300 993 GLN 128 O -0.0010 -0.0092 0.0275 994 GLN 128 CB -0.0003 -0.0072 0.0338 995 GLN 128 CG -0.0001 -0.0058 0.0347 996 GLN 128 CD 0.0006 -0.0058 0.0416 997 GLN 128 NE2 0.0007 -0.0066 0.0429 998 GLN 128 OE1 0.0011 -0.0051 0.0458 999 LEU 129 N 0.0006 -0.0039 0.0237 1000 LEU 129 CA 0.0009 -0.0042 0.0217 1001 LEU 129 C 0.0015 -0.0063 0.0238 1002 LEU 129 O 0.0010 -0.0058 0.0267 1003 LEU 129 CB -0.0002 -0.0009 0.0210 1004 LEU 129 CG -0.0001 -0.0009 0.0190 1005 LEU 129 CD1 0.0006 -0.0021 0.0155 1006 LEU 129 CD2 -0.0012 0.0024 0.0188 1007 ASP 130 N -0.0027 -0.0089 0.0273 1008 ASP 130 CA -0.0033 -0.0111 0.0298 1009 ASP 130 C -0.0031 -0.0100 0.0308 1010 ASP 130 O -0.0033 -0.0097 0.0338 1011 ASP 130 CB -0.0037 -0.0146 0.0284 1012 ASP 130 CG -0.0043 -0.0169 0.0303 1013 ASP 130 OD1 -0.0044 -0.0160 0.0332 1014 ASP 130 OD2 -0.0046 -0.0194 0.0288 1015 SER 131 N -0.0049 -0.0078 0.0232 1016 SER 131 CA -0.0049 -0.0065 0.0236 1017 SER 131 C -0.0043 -0.0052 0.0207 1018 SER 131 O -0.0041 -0.0062 0.0182 1019 SER 131 CB -0.0053 -0.0089 0.0249 1020 SER 131 OG -0.0051 -0.0111 0.0227 1021 VAL 132 N -0.0062 -0.0049 0.0163 1022 VAL 132 CA -0.0042 -0.0024 0.0132 1023 VAL 132 C -0.0047 -0.0007 0.0143 1024 VAL 132 O -0.0063 0.0012 0.0173 1025 VAL 132 CB -0.0035 0.0014 0.0126 1026 VAL 132 CG1 -0.0015 0.0043 0.0098 1027 VAL 132 CG2 -0.0029 -0.0002 0.0114 1028 ARG 133 N -0.0063 0.0004 0.0132 1029 ARG 133 CA -0.0062 0.0015 0.0124 1030 ARG 133 C -0.0046 0.0037 0.0084 1031 ARG 133 O -0.0029 0.0025 0.0058 1032 ARG 133 CB -0.0052 -0.0023 0.0127 1033 ARG 133 CG -0.0066 -0.0047 0.0166 1034 ARG 133 CD -0.0087 -0.0026 0.0191 1035 ARG 133 NE -0.0082 -0.0007 0.0170 1036 ARG 133 CZ -0.0076 -0.0023 0.0170 1037 ARG 133 NH1 -0.0076 -0.0060 0.0189 1038 ARG 133 NH2 -0.0071 -0.0003 0.0149 1039 ILE 134 N -0.0067 0.0067 -0.0005 1040 ILE 134 CA -0.0047 0.0085 -0.0015 1041 ILE 134 C -0.0050 0.0093 -0.0010 1042 ILE 134 O -0.0066 0.0103 0.0006 1043 ILE 134 CB -0.0043 0.0109 -0.0012 1044 ILE 134 CG1 -0.0043 0.0100 -0.0014 1045 ILE 134 CG2 -0.0021 0.0125 -0.0025 1046 ILE 134 CD1 -0.0043 0.0122 -0.0008 1047 PHE 135 N -0.0035 0.0100 -0.0008 1048 PHE 135 CA -0.0018 0.0101 -0.0029 1049 PHE 135 C -0.0004 0.0133 -0.0069 1050 PHE 135 O 0.0002 0.0143 -0.0083 1051 PHE 135 CB 0.0009 0.0057 -0.0032 1052 PHE 135 CG -0.0002 0.0024 0.0005 1053 PHE 135 CD1 -0.0022 0.0029 0.0027 1054 PHE 135 CD2 0.0008 -0.0012 0.0018 1055 PHE 135 CE1 -0.0032 -0.0001 0.0061 1056 PHE 135 CE2 -0.0002 -0.0043 0.0052 1057 PHE 135 CZ -0.0022 -0.0038 0.0073 1058 PHE 135 OXT 0.0001 0.0146 -0.0085