1 VAL 1 N 0.0006 -0.0103 -0.0175 2 VAL 1 CA 0.0010 -0.0086 -0.0132 3 VAL 1 C 0.0011 -0.0077 -0.0112 4 VAL 1 O -0.0015 -0.0109 -0.0113 5 VAL 1 CB -0.0030 -0.0120 -0.0096 6 VAL 1 CG1 -0.0025 -0.0099 -0.0049 7 VAL 1 CG2 -0.0027 -0.0130 -0.0136 8 LEU 2 N 0.0033 -0.0042 -0.0082 9 LEU 2 CA 0.0027 -0.0040 -0.0055 10 LEU 2 C -0.0004 -0.0058 0.0005 11 LEU 2 O 0.0005 -0.0039 0.0026 12 LEU 2 CB 0.0066 0.0008 -0.0047 13 LEU 2 CG 0.0095 0.0031 -0.0081 14 LEU 2 CD1 0.0093 0.0015 -0.0121 15 LEU 2 CD2 0.0136 0.0080 -0.0075 16 SER 3 N -0.0023 -0.0081 0.0000 17 SER 3 CA -0.0052 -0.0097 0.0055 18 SER 3 C -0.0031 -0.0062 0.0088 19 SER 3 O -0.0002 -0.0030 0.0083 20 SER 3 CB -0.0075 -0.0128 0.0043 21 SER 3 OG -0.0067 -0.0120 0.0038 22 PRO 4 N -0.0030 -0.0133 0.0283 23 PRO 4 CA -0.0012 -0.0077 0.0314 24 PRO 4 C -0.0014 -0.0083 0.0290 25 PRO 4 O 0.0001 -0.0032 0.0268 26 PRO 4 CB -0.0025 -0.0126 0.0400 27 PRO 4 CG -0.0033 -0.0153 0.0417 28 PRO 4 CD -0.0038 -0.0161 0.0345 29 ALA 5 N -0.0040 -0.0160 0.0236 30 ALA 5 CA -0.0042 -0.0165 0.0207 31 ALA 5 C -0.0029 -0.0114 0.0119 32 ALA 5 O -0.0018 -0.0080 0.0098 33 ALA 5 CB -0.0074 -0.0261 0.0168 34 ASP 6 N -0.0026 -0.0102 0.0076 35 ASP 6 CA -0.0007 -0.0038 0.0012 36 ASP 6 C 0.0017 0.0037 0.0048 37 ASP 6 O 0.0027 0.0073 -0.0004 38 ASP 6 CB -0.0007 -0.0034 -0.0023 39 ASP 6 CG -0.0031 -0.0107 -0.0074 40 ASP 6 OD1 -0.0043 -0.0142 -0.0119 41 ASP 6 OD2 -0.0035 -0.0119 -0.0066 42 LYS 7 N 0.0042 0.0055 0.0040 43 LYS 7 CA 0.0071 0.0085 0.0061 44 LYS 7 C 0.0078 0.0086 0.0084 45 LYS 7 O 0.0092 0.0106 0.0076 46 LYS 7 CB 0.0088 0.0099 0.0080 47 LYS 7 CG 0.0082 0.0101 0.0056 48 LYS 7 CD 0.0098 0.0110 0.0087 49 LYS 7 CE 0.0085 0.0101 0.0065 50 LYS 7 NZ 0.0106 0.0117 0.0100 51 THR 8 N 0.0052 0.0047 0.0104 52 THR 8 CA 0.0052 0.0041 0.0123 53 THR 8 C 0.0050 0.0046 0.0101 54 THR 8 O 0.0059 0.0056 0.0103 55 THR 8 CB 0.0031 0.0004 0.0157 56 THR 8 OG1 0.0042 0.0009 0.0183 57 THR 8 CG2 0.0029 -0.0003 0.0172 58 ASN 9 N 0.0028 0.0030 0.0061 59 ASN 9 CA 0.0019 0.0029 0.0030 60 ASN 9 C 0.0044 0.0067 0.0009 61 ASN 9 O 0.0044 0.0072 -0.0004 62 ASN 9 CB -0.0006 0.0009 -0.0005 63 ASN 9 CG -0.0031 -0.0029 0.0015 64 ASN 9 OD1 -0.0034 -0.0042 0.0044 65 ASN 9 ND2 -0.0052 -0.0048 -0.0008 66 VAL 10 N 0.0033 0.0100 -0.0001 67 VAL 10 CA 0.0043 0.0097 -0.0003 68 VAL 10 C 0.0052 0.0093 0.0005 69 VAL 10 O 0.0057 0.0090 0.0010 70 VAL 10 CB 0.0046 0.0099 -0.0015 71 VAL 10 CG1 0.0056 0.0096 -0.0016 72 VAL 10 CG2 0.0039 0.0103 -0.0022 73 LYS 11 N 0.0053 0.0093 0.0004 74 LYS 11 CA 0.0063 0.0088 0.0010 75 LYS 11 C 0.0059 0.0087 0.0023 76 LYS 11 O 0.0066 0.0083 0.0029 77 LYS 11 CB 0.0063 0.0088 0.0009 78 LYS 11 CG 0.0067 0.0090 -0.0001 79 LYS 11 CD 0.0071 0.0089 -0.0002 80 LYS 11 CE 0.0079 0.0089 -0.0016 81 LYS 11 NZ 0.0077 0.0091 -0.0019 82 ALA 12 N 0.0049 0.0089 0.0026 83 ALA 12 CA 0.0050 0.0086 0.0037 84 ALA 12 C 0.0047 0.0087 0.0040 85 ALA 12 O 0.0053 0.0083 0.0048 86 ALA 12 CB 0.0037 0.0090 0.0040 87 ALA 13 N 0.0028 0.0056 0.0020 88 ALA 13 CA 0.0020 0.0055 0.0024 89 ALA 13 C 0.0011 0.0051 0.0026 90 ALA 13 O 0.0004 0.0046 0.0026 91 ALA 13 CB 0.0020 0.0064 0.0032 92 TRP 14 N 0.0014 0.0054 0.0027 93 TRP 14 CA 0.0006 0.0051 0.0028 94 TRP 14 C 0.0005 0.0041 0.0020 95 TRP 14 O -0.0003 0.0036 0.0021 96 TRP 14 CB 0.0010 0.0057 0.0032 97 TRP 14 CG 0.0002 0.0055 0.0034 98 TRP 14 CD1 -0.0001 0.0050 0.0031 99 TRP 14 CD2 -0.0006 0.0059 0.0042 100 TRP 14 NE1 -0.0010 0.0052 0.0038 101 TRP 14 CE2 -0.0013 0.0056 0.0044 102 TRP 14 CE3 -0.0008 0.0064 0.0048 103 TRP 14 CZ2 -0.0019 0.0058 0.0049 104 TRP 14 CZ3 -0.0017 0.0065 0.0054 105 TRP 14 CH2 -0.0022 0.0062 0.0054 106 GLY 15 N 0.0013 0.0040 0.0014 107 GLY 15 CA 0.0012 0.0031 0.0008 108 GLY 15 C 0.0005 0.0028 0.0009 109 GLY 15 O -0.0001 0.0019 0.0005 110 LYS 16 N -0.0027 0.0004 0.0020 111 LYS 16 CA -0.0026 0.0004 0.0014 112 LYS 16 C -0.0045 0.0003 0.0018 113 LYS 16 O -0.0051 0.0002 0.0010 114 LYS 16 CB -0.0007 0.0004 0.0015 115 LYS 16 CG -0.0010 0.0004 -0.0002 116 LYS 16 CD -0.0006 0.0003 -0.0026 117 LYS 16 CE -0.0015 0.0003 -0.0030 118 LYS 16 NZ -0.0004 0.0003 -0.0029 119 VAL 17 N -0.0049 0.0003 0.0040 120 VAL 17 CA -0.0060 0.0003 0.0050 121 VAL 17 C -0.0086 0.0002 0.0038 122 VAL 17 O -0.0089 0.0002 0.0033 123 VAL 17 CB -0.0061 0.0004 0.0070 124 VAL 17 CG1 -0.0080 0.0003 0.0078 125 VAL 17 CG2 -0.0043 0.0005 0.0081 126 GLY 18 N -0.0083 0.0002 0.0038 127 GLY 18 CA -0.0098 0.0001 0.0026 128 GLY 18 C -0.0121 0.0000 0.0037 129 GLY 18 O -0.0122 0.0001 0.0056 130 ALA 19 N -0.0213 0.0057 0.0012 131 ALA 19 CA -0.0258 0.0067 0.0012 132 ALA 19 C -0.0221 0.0056 0.0016 133 ALA 19 O -0.0246 0.0051 0.0030 134 ALA 19 CB -0.0282 0.0101 -0.0028 135 HIS 20 N -0.0172 0.0039 0.0024 136 HIS 20 CA -0.0139 0.0028 0.0030 137 HIS 20 C -0.0145 -0.0007 0.0082 138 HIS 20 O -0.0116 -0.0025 0.0097 139 HIS 20 CB -0.0088 0.0026 0.0016 140 HIS 20 CG -0.0068 0.0052 -0.0027 141 HIS 20 ND1 -0.0088 0.0079 -0.0059 142 HIS 20 CD2 -0.0077 0.0075 -0.0057 143 HIS 20 CE1 -0.0070 0.0100 -0.0094 144 HIS 20 NE2 -0.0061 0.0102 -0.0100 145 ALA 21 N -0.0174 -0.0017 0.0104 146 ALA 21 CA -0.0170 -0.0052 0.0153 147 ALA 21 C -0.0165 -0.0066 0.0171 148 ALA 21 O -0.0147 -0.0090 0.0199 149 ALA 21 CB -0.0198 -0.0062 0.0175 150 GLY 22 N -0.0111 -0.0038 0.0076 151 GLY 22 CA -0.0111 -0.0042 0.0082 152 GLY 22 C -0.0097 -0.0043 0.0079 153 GLY 22 O -0.0092 -0.0049 0.0086 154 GLU 23 N -0.0088 -0.0032 0.0062 155 GLU 23 CA -0.0071 -0.0032 0.0057 156 GLU 23 C -0.0052 -0.0044 0.0066 157 GLU 23 O -0.0039 -0.0048 0.0069 158 GLU 23 CB -0.0068 -0.0018 0.0037 159 GLU 23 CG -0.0052 -0.0015 0.0029 160 GLU 23 CD -0.0051 0.0004 0.0003 161 GLU 23 OE1 -0.0028 -0.0003 0.0006 162 GLU 23 OE2 -0.0070 0.0009 0.0002 163 TYR 24 N -0.0048 -0.0044 0.0067 164 TYR 24 CA -0.0031 -0.0054 0.0074 165 TYR 24 C -0.0036 -0.0067 0.0093 166 TYR 24 O -0.0020 -0.0076 0.0100 167 TYR 24 CB -0.0030 -0.0054 0.0075 168 TYR 24 CG -0.0019 -0.0042 0.0055 169 TYR 24 CD1 -0.0016 -0.0040 0.0051 170 TYR 24 CD2 -0.0016 -0.0033 0.0043 171 TYR 24 CE1 -0.0009 -0.0028 0.0033 172 TYR 24 CE2 -0.0010 -0.0022 0.0025 173 TYR 24 CZ -0.0005 -0.0021 0.0023 174 TYR 24 OH -0.0004 -0.0009 0.0006 175 GLY 25 N -0.0072 -0.0027 0.0065 176 GLY 25 CA -0.0077 -0.0029 0.0079 177 GLY 25 C -0.0075 -0.0027 0.0072 178 GLY 25 O -0.0070 -0.0034 0.0078 179 ALA 26 N -0.0081 -0.0016 0.0060 180 ALA 26 CA -0.0081 -0.0013 0.0053 181 ALA 26 C -0.0066 -0.0022 0.0044 182 ALA 26 O -0.0061 -0.0026 0.0044 183 ALA 26 CB -0.0087 -0.0001 0.0040 184 GLU 27 N -0.0056 -0.0025 0.0033 185 GLU 27 CA -0.0041 -0.0034 0.0025 186 GLU 27 C -0.0033 -0.0047 0.0038 187 GLU 27 O -0.0026 -0.0052 0.0035 188 GLU 27 CB -0.0036 -0.0033 0.0013 189 GLU 27 CG -0.0020 -0.0043 0.0005 190 GLU 27 CD -0.0011 -0.0043 -0.0009 191 GLU 27 OE1 0.0001 -0.0053 -0.0009 192 GLU 27 OE2 -0.0019 -0.0034 -0.0015 193 ALA 28 N -0.0044 -0.0001 0.0011 194 ALA 28 CA -0.0038 -0.0005 0.0020 195 ALA 28 C -0.0042 -0.0002 0.0026 196 ALA 28 O -0.0038 -0.0005 0.0030 197 ALA 28 CB -0.0035 -0.0007 0.0030 198 LEU 29 N -0.0052 0.0005 0.0029 199 LEU 29 CA -0.0057 0.0010 0.0034 200 LEU 29 C -0.0057 0.0010 0.0026 201 LEU 29 O -0.0056 0.0009 0.0030 202 LEU 29 CB -0.0069 0.0019 0.0038 203 LEU 29 CG -0.0069 0.0019 0.0048 204 LEU 29 CD1 -0.0080 0.0028 0.0047 205 LEU 29 CD2 -0.0067 0.0018 0.0059 206 GLU 30 N -0.0060 0.0012 0.0013 207 GLU 30 CA -0.0059 0.0011 0.0005 208 GLU 30 C -0.0050 0.0004 0.0005 209 GLU 30 O -0.0049 0.0003 0.0004 210 GLU 30 CB -0.0063 0.0014 -0.0007 211 GLU 30 CG -0.0061 0.0013 -0.0014 212 GLU 30 CD -0.0068 0.0018 -0.0029 213 GLU 30 OE1 -0.0069 0.0018 -0.0030 214 GLU 30 OE2 -0.0072 0.0021 -0.0034 215 ARG 31 N -0.0016 0.0010 0.0005 216 ARG 31 CA -0.0009 0.0004 0.0004 217 ARG 31 C -0.0007 0.0008 0.0014 218 ARG 31 O -0.0007 0.0006 0.0012 219 ARG 31 CB 0.0001 -0.0005 0.0005 220 ARG 31 CG -0.0001 -0.0011 -0.0007 221 ARG 31 CD 0.0008 -0.0018 -0.0006 222 ARG 31 NE 0.0009 -0.0026 -0.0017 223 ARG 31 CZ 0.0008 -0.0031 -0.0025 224 ARG 31 NH1 0.0009 -0.0031 -0.0026 225 ARG 31 NH2 0.0007 -0.0034 -0.0034 226 MET 32 N -0.0006 0.0013 0.0024 227 MET 32 CA -0.0004 0.0017 0.0033 228 MET 32 C -0.0013 0.0024 0.0032 229 MET 32 O -0.0012 0.0024 0.0034 230 MET 32 CB -0.0002 0.0021 0.0044 231 MET 32 CG 0.0000 0.0026 0.0055 232 MET 32 SD 0.0001 0.0031 0.0066 233 MET 32 CE -0.0011 0.0040 0.0062 234 PHE 33 N -0.0021 0.0030 0.0029 235 PHE 33 CA -0.0030 0.0037 0.0026 236 PHE 33 C -0.0032 0.0035 0.0019 237 PHE 33 O -0.0034 0.0037 0.0020 238 PHE 33 CB -0.0038 0.0043 0.0024 239 PHE 33 CG -0.0038 0.0048 0.0032 240 PHE 33 CD1 -0.0036 0.0052 0.0043 241 PHE 33 CD2 -0.0043 0.0050 0.0027 242 PHE 33 CE1 -0.0037 0.0058 0.0051 243 PHE 33 CE2 -0.0042 0.0055 0.0037 244 PHE 33 CZ -0.0040 0.0058 0.0046 245 LEU 34 N -0.0023 0.0017 0.0015 246 LEU 34 CA -0.0021 0.0018 0.0017 247 LEU 34 C -0.0013 0.0021 0.0020 248 LEU 34 O -0.0011 0.0022 0.0025 249 LEU 34 CB -0.0020 0.0018 0.0010 250 LEU 34 CG -0.0025 0.0016 0.0007 251 LEU 34 CD1 -0.0025 0.0016 -0.0001 252 LEU 34 CD2 -0.0031 0.0014 0.0011 253 SER 35 N -0.0009 0.0023 0.0017 254 SER 35 CA -0.0002 0.0025 0.0020 255 SER 35 C -0.0001 0.0026 0.0027 256 SER 35 O 0.0004 0.0028 0.0032 257 SER 35 CB 0.0003 0.0027 0.0014 258 SER 35 OG 0.0004 0.0028 0.0008 259 PHE 36 N -0.0006 0.0024 0.0028 260 PHE 36 CA -0.0006 0.0024 0.0035 261 PHE 36 C -0.0014 0.0021 0.0037 262 PHE 36 O -0.0018 0.0019 0.0036 263 PHE 36 CB -0.0004 0.0024 0.0032 264 PHE 36 CG 0.0003 0.0027 0.0027 265 PHE 36 CD1 0.0003 0.0027 0.0020 266 PHE 36 CD2 0.0009 0.0030 0.0032 267 PHE 36 CE1 0.0009 0.0030 0.0016 268 PHE 36 CE2 0.0016 0.0032 0.0028 269 PHE 36 CZ 0.0016 0.0032 0.0020 270 PRO 37 N 0.0000 0.0011 0.0000 271 PRO 37 CA 0.0010 0.0027 -0.0005 272 PRO 37 C 0.0010 0.0028 -0.0004 273 PRO 37 O 0.0016 0.0043 -0.0002 274 PRO 37 CB 0.0017 0.0027 -0.0025 275 PRO 37 CG 0.0011 0.0011 -0.0030 276 PRO 37 CD 0.0001 0.0002 -0.0012 277 THR 38 N 0.0002 0.0013 -0.0002 278 THR 38 CA 0.0003 0.0015 -0.0000 279 THR 38 C 0.0002 0.0027 0.0017 280 THR 38 O 0.0004 0.0033 0.0021 281 THR 38 CB -0.0006 -0.0004 0.0000 282 THR 38 OG1 -0.0015 -0.0013 0.0012 283 THR 38 CG2 -0.0003 -0.0012 -0.0020 284 THR 39 N -0.0002 0.0029 0.0031 285 THR 39 CA -0.0003 0.0040 0.0049 286 THR 39 C 0.0007 0.0060 0.0046 287 THR 39 O 0.0007 0.0068 0.0058 288 THR 39 CB -0.0010 0.0037 0.0062 289 THR 39 OG1 -0.0006 0.0042 0.0059 290 THR 39 CG2 -0.0020 0.0018 0.0067 291 LYS 40 N 0.0017 0.0058 0.0029 292 LYS 40 CA 0.0017 0.0056 0.0029 293 LYS 40 C 0.0016 0.0051 0.0029 294 LYS 40 O 0.0015 0.0049 0.0029 295 LYS 40 CB 0.0019 0.0056 0.0033 296 LYS 40 CG 0.0020 0.0059 0.0033 297 LYS 40 CD 0.0022 0.0059 0.0036 298 LYS 40 CE 0.0024 0.0059 0.0038 299 LYS 40 NZ 0.0026 0.0060 0.0041 300 THR 41 N 0.0016 0.0051 0.0029 301 THR 41 CA 0.0015 0.0048 0.0030 302 THR 41 C 0.0013 0.0046 0.0027 303 THR 41 O 0.0012 0.0043 0.0026 304 THR 41 CB 0.0016 0.0048 0.0030 305 THR 41 OG1 0.0015 0.0050 0.0028 306 THR 41 CG2 0.0018 0.0049 0.0034 307 TYR 42 N 0.0012 0.0048 0.0024 308 TYR 42 CA 0.0009 0.0047 0.0021 309 TYR 42 C 0.0009 0.0045 0.0020 310 TYR 42 O 0.0007 0.0044 0.0018 311 TYR 42 CB 0.0008 0.0050 0.0018 312 TYR 42 CG 0.0008 0.0050 0.0018 313 TYR 42 CD1 0.0007 0.0048 0.0016 314 TYR 42 CD2 0.0010 0.0053 0.0020 315 TYR 42 CE1 0.0007 0.0049 0.0017 316 TYR 42 CE2 0.0010 0.0054 0.0020 317 TYR 42 CZ 0.0009 0.0052 0.0018 318 TYR 42 OH 0.0009 0.0053 0.0018 319 PHE 43 N 0.0014 -0.0046 0.0039 320 PHE 43 CA 0.0014 -0.0034 0.0036 321 PHE 43 C 0.0039 -0.0060 0.0058 322 PHE 43 O 0.0056 -0.0040 0.0063 323 PHE 43 CB 0.0020 0.0013 0.0027 324 PHE 43 CG -0.0013 0.0040 0.0000 325 PHE 43 CD1 -0.0006 0.0051 0.0001 326 PHE 43 CD2 -0.0045 0.0049 -0.0022 327 PHE 43 CE1 -0.0033 0.0074 -0.0021 328 PHE 43 CE2 -0.0075 0.0072 -0.0046 329 PHE 43 CZ -0.0063 0.0086 -0.0042 330 PRO 44 N 0.0041 -0.0102 0.0070 331 PRO 44 CA 0.0071 -0.0118 0.0092 332 PRO 44 C 0.0052 -0.0131 0.0084 333 PRO 44 O 0.0073 -0.0133 0.0098 334 PRO 44 CB 0.0067 -0.0160 0.0101 335 PRO 44 CG 0.0027 -0.0173 0.0080 336 PRO 44 CD 0.0019 -0.0128 0.0063 337 HIS 45 N 0.0018 -0.0126 0.0062 338 HIS 45 CA -0.0001 -0.0129 0.0051 339 HIS 45 C 0.0001 -0.0090 0.0042 340 HIS 45 O -0.0015 -0.0087 0.0032 341 HIS 45 CB -0.0041 -0.0145 0.0031 342 HIS 45 CG -0.0074 -0.0129 0.0007 343 HIS 45 ND1 -0.0056 -0.0111 0.0013 344 HIS 45 CD2 -0.0101 -0.0105 -0.0016 345 HIS 45 CE1 -0.0084 -0.0092 -0.0009 346 HIS 45 NE2 -0.0113 -0.0086 -0.0028 347 PHE 46 N -0.0016 -0.0013 0.0022 348 PHE 46 CA -0.0015 0.0001 0.0015 349 PHE 46 C -0.0000 0.0005 0.0012 350 PHE 46 O 0.0013 -0.0001 0.0014 351 PHE 46 CB -0.0015 0.0005 0.0014 352 PHE 46 CG -0.0029 0.0007 0.0014 353 PHE 46 CD1 -0.0032 0.0016 0.0010 354 PHE 46 CD2 -0.0041 0.0004 0.0016 355 PHE 46 CE1 -0.0046 0.0018 0.0010 356 PHE 46 CE2 -0.0059 0.0007 0.0017 357 PHE 46 CZ -0.0062 0.0013 0.0014 358 ASP 47 N -0.0002 0.0020 0.0005 359 ASP 47 CA 0.0014 0.0027 0.0000 360 ASP 47 C 0.0020 0.0033 -0.0003 361 ASP 47 O 0.0010 0.0041 -0.0006 362 ASP 47 CB 0.0009 0.0041 -0.0006 363 ASP 47 CG 0.0026 0.0048 -0.0011 364 ASP 47 OD1 0.0038 0.0046 -0.0011 365 ASP 47 OD2 0.0020 0.0060 -0.0016 366 LEU 48 N 0.0031 0.0027 -0.0001 367 LEU 48 CA 0.0037 0.0030 -0.0004 368 LEU 48 C 0.0053 0.0040 -0.0009 369 LEU 48 O 0.0056 0.0044 -0.0012 370 LEU 48 CB 0.0043 0.0016 0.0003 371 LEU 48 CG 0.0029 0.0008 0.0008 372 LEU 48 CD1 0.0038 -0.0008 0.0015 373 LEU 48 CD2 0.0016 0.0011 0.0008 374 SER 49 N 0.0036 0.0012 -0.0119 375 SER 49 CA 0.0045 0.0022 -0.0119 376 SER 49 C 0.0025 0.0021 -0.0088 377 SER 49 O 0.0015 0.0028 -0.0062 378 SER 49 CB 0.0070 0.0039 -0.0136 379 SER 49 OG 0.0077 0.0058 -0.0118 380 HIS 50 N 0.0019 0.0016 -0.0087 381 HIS 50 CA 0.0001 0.0017 -0.0055 382 HIS 50 C 0.0008 0.0042 -0.0029 383 HIS 50 O 0.0034 0.0065 -0.0038 384 HIS 50 CB 0.0002 0.0015 -0.0059 385 HIS 50 CG -0.0012 0.0020 -0.0031 386 HIS 50 ND1 -0.0039 0.0000 -0.0017 387 HIS 50 CD2 -0.0006 0.0031 -0.0023 388 HIS 50 CE1 -0.0047 0.0011 0.0012 389 HIS 50 NE2 -0.0025 0.0032 0.0009 390 GLY 51 N 0.0000 0.0048 -0.0008 391 GLY 51 CA 0.0002 0.0069 0.0020 392 GLY 51 C 0.0016 0.0085 0.0021 393 GLY 51 O 0.0025 0.0107 0.0039 394 SER 52 N 0.0014 0.0050 -0.0049 395 SER 52 CA 0.0005 0.0068 -0.0034 396 SER 52 C -0.0007 0.0073 -0.0013 397 SER 52 O -0.0017 0.0059 0.0005 398 SER 52 CB 0.0010 0.0053 -0.0042 399 SER 52 OG -0.0001 0.0036 -0.0023 400 ALA 53 N -0.0013 0.0099 -0.0004 401 ALA 53 CA -0.0027 0.0105 0.0021 402 ALA 53 C -0.0037 0.0087 0.0039 403 ALA 53 O -0.0048 0.0082 0.0059 404 ALA 53 CB -0.0030 0.0135 0.0025 405 GLN 54 N -0.0031 0.0071 0.0029 406 GLN 54 CA -0.0040 0.0054 0.0045 407 GLN 54 C -0.0042 0.0027 0.0051 408 GLN 54 O -0.0054 0.0018 0.0072 409 GLN 54 CB -0.0031 0.0044 0.0030 410 GLN 54 CG -0.0033 0.0066 0.0032 411 GLN 54 CD -0.0022 0.0061 0.0014 412 GLN 54 OE1 -0.0009 0.0062 -0.0009 413 GLN 54 NE2 -0.0026 0.0069 0.0020 414 VAL 55 N -0.0030 -0.0006 0.0033 415 VAL 55 CA -0.0049 -0.0007 0.0036 416 VAL 55 C -0.0052 -0.0009 0.0051 417 VAL 55 O -0.0059 -0.0009 0.0051 418 VAL 55 CB -0.0062 -0.0007 0.0037 419 VAL 55 CG1 -0.0081 -0.0008 0.0043 420 VAL 55 CG2 -0.0062 -0.0004 0.0019 421 LYS 56 N -0.0043 -0.0012 0.0068 422 LYS 56 CA -0.0041 -0.0014 0.0082 423 LYS 56 C -0.0039 -0.0013 0.0078 424 LYS 56 O -0.0042 -0.0014 0.0084 425 LYS 56 CB -0.0034 -0.0017 0.0101 426 LYS 56 CG -0.0045 -0.0017 0.0104 427 LYS 56 CD -0.0032 -0.0021 0.0129 428 LYS 56 CE -0.0042 -0.0023 0.0137 429 LYS 56 NZ -0.0031 -0.0026 0.0157 430 GLY 57 N -0.0019 -0.0012 0.0069 431 GLY 57 CA -0.0010 -0.0011 0.0063 432 GLY 57 C -0.0023 -0.0009 0.0048 433 GLY 57 O -0.0024 -0.0010 0.0054 434 HIS 58 N -0.0005 -0.0085 0.0070 435 HIS 58 CA -0.0019 -0.0031 0.0021 436 HIS 58 C -0.0058 -0.0017 0.0038 437 HIS 58 O -0.0038 0.0004 -0.0002 438 HIS 58 CB -0.0057 0.0006 0.0012 439 HIS 58 CG -0.0059 0.0064 -0.0051 440 HIS 58 ND1 -0.0009 0.0073 -0.0102 441 HIS 58 CD2 -0.0109 0.0109 -0.0059 442 HIS 58 CE1 -0.0041 0.0124 -0.0132 443 HIS 58 NE2 -0.0095 0.0145 -0.0111 444 GLY 59 N -0.0095 -0.0035 0.0088 445 GLY 59 CA -0.0126 -0.0028 0.0106 446 GLY 59 C -0.0093 -0.0050 0.0104 447 GLY 59 O -0.0091 -0.0029 0.0079 448 LYS 60 N -0.0040 -0.0099 0.0113 449 LYS 60 CA 0.0009 -0.0123 0.0100 450 LYS 60 C 0.0041 -0.0100 0.0047 451 LYS 60 O 0.0055 -0.0093 0.0028 452 LYS 60 CB 0.0054 -0.0187 0.0133 453 LYS 60 CG 0.0099 -0.0215 0.0126 454 LYS 60 CD 0.0130 -0.0269 0.0160 455 LYS 60 CE 0.0192 -0.0300 0.0144 456 LYS 60 NZ 0.0213 -0.0378 0.0212 457 LYS 61 N 0.0080 -0.0070 0.0022 458 LYS 61 CA 0.0097 -0.0052 -0.0020 459 LYS 61 C 0.0050 -0.0024 -0.0050 460 LYS 61 O 0.0063 -0.0023 -0.0059 461 LYS 61 CB 0.0121 -0.0034 -0.0067 462 LYS 61 CG 0.0182 -0.0053 -0.0062 463 LYS 61 CD 0.0198 -0.0039 -0.0098 464 LYS 61 CE 0.0226 -0.0047 -0.0095 465 LYS 61 NZ 0.0255 -0.0035 -0.0133 466 VAL 62 N 0.0009 -0.0020 -0.0037 467 VAL 62 CA -0.0040 0.0004 -0.0057 468 VAL 62 C -0.0061 -0.0009 -0.0023 469 VAL 62 O -0.0060 0.0003 -0.0047 470 VAL 62 CB -0.0085 0.0013 -0.0053 471 VAL 62 CG1 -0.0137 0.0035 -0.0068 472 VAL 62 CG2 -0.0071 0.0033 -0.0098 473 ALA 63 N -0.0055 -0.0034 0.0021 474 ALA 63 CA -0.0069 -0.0047 0.0054 475 ALA 63 C -0.0031 -0.0059 0.0057 476 ALA 63 O -0.0043 -0.0053 0.0051 477 ALA 63 CB -0.0084 -0.0071 0.0107 478 ASP 64 N 0.0044 -0.0084 -0.0002 479 ASP 64 CA 0.0051 -0.0086 -0.0024 480 ASP 64 C 0.0052 -0.0074 -0.0052 481 ASP 64 O 0.0052 -0.0067 -0.0066 482 ASP 64 CB 0.0067 -0.0113 -0.0029 483 ASP 64 CG 0.0075 -0.0138 -0.0009 484 ASP 64 OD1 0.0062 -0.0122 0.0010 485 ASP 64 OD2 0.0086 -0.0157 -0.0010 486 ALA 65 N 0.0049 -0.0068 -0.0054 487 ALA 65 CA 0.0044 -0.0049 -0.0074 488 ALA 65 C 0.0030 -0.0022 -0.0075 489 ALA 65 O 0.0033 -0.0015 -0.0098 490 ALA 65 CB 0.0043 -0.0045 -0.0077 491 LEU 66 N 0.0022 -0.0018 -0.0051 492 LEU 66 CA 0.0009 0.0005 -0.0053 493 LEU 66 C 0.0013 0.0002 -0.0058 494 LEU 66 O 0.0008 0.0018 -0.0074 495 LEU 66 CB -0.0002 0.0014 -0.0027 496 LEU 66 CG -0.0011 0.0025 -0.0019 497 LEU 66 CD1 -0.0019 0.0028 0.0008 498 LEU 66 CD2 -0.0016 0.0045 -0.0039 499 THR 67 N 0.0036 -0.0018 -0.0042 500 THR 67 CA 0.0018 -0.0003 -0.0097 501 THR 67 C -0.0010 -0.0013 -0.0128 502 THR 67 O -0.0005 0.0017 -0.0166 503 THR 67 CB 0.0001 -0.0011 -0.0112 504 THR 67 OG1 0.0020 0.0001 -0.0099 505 THR 67 CG2 -0.0028 -0.0006 -0.0171 506 ASN 68 N -0.0034 -0.0054 -0.0105 507 ASN 68 CA -0.0059 -0.0067 -0.0129 508 ASN 68 C -0.0035 -0.0046 -0.0121 509 ASN 68 O -0.0043 -0.0029 -0.0159 510 ASN 68 CB -0.0084 -0.0113 -0.0099 511 ASN 68 CG -0.0112 -0.0133 -0.0115 512 ASN 68 OD1 -0.0128 -0.0123 -0.0157 513 ASN 68 ND2 -0.0129 -0.0172 -0.0084 514 ALA 69 N 0.0004 -0.0031 -0.0077 515 ALA 69 CA 0.0025 -0.0010 -0.0074 516 ALA 69 C 0.0049 0.0040 -0.0111 517 ALA 69 O 0.0054 0.0055 -0.0127 518 ALA 69 CB 0.0057 -0.0008 -0.0023 519 VAL 70 N 0.0078 0.0053 -0.0065 520 VAL 70 CA 0.0120 0.0111 -0.0132 521 VAL 70 C 0.0081 0.0109 -0.0209 522 VAL 70 O 0.0111 0.0144 -0.0243 523 VAL 70 CB 0.0135 0.0126 -0.0142 524 VAL 70 CG1 0.0171 0.0178 -0.0207 525 VAL 70 CG2 0.0185 0.0138 -0.0069 526 ALA 71 N 0.0014 0.0064 -0.0228 527 ALA 71 CA -0.0033 0.0054 -0.0301 528 ALA 71 C -0.0026 0.0053 -0.0283 529 ALA 71 O -0.0037 0.0071 -0.0354 530 ALA 71 CB -0.0093 0.0007 -0.0302 531 HIS 72 N -0.0020 0.0034 -0.0222 532 HIS 72 CA -0.0024 0.0028 -0.0212 533 HIS 72 C 0.0030 0.0053 -0.0168 534 HIS 72 O 0.0034 0.0034 -0.0107 535 HIS 72 CB -0.0087 -0.0040 -0.0162 536 HIS 72 CG -0.0127 -0.0052 -0.0213 537 HIS 72 ND1 -0.0199 -0.0084 -0.0279 538 HIS 72 CD2 -0.0184 -0.0093 -0.0222 539 HIS 72 CE1 -0.0226 -0.0082 -0.0342 540 HIS 72 NE2 -0.0249 -0.0117 -0.0294 541 VAL 73 N 0.0074 0.0027 -0.0141 542 VAL 73 CA 0.0146 0.0037 -0.0094 543 VAL 73 C 0.0152 0.0028 -0.0066 544 VAL 73 O 0.0174 0.0016 -0.0012 545 VAL 73 CB 0.0198 0.0070 -0.0127 546 VAL 73 CG1 0.0212 0.0101 -0.0196 547 VAL 73 CG2 0.0250 0.0074 -0.0086 548 ASP 74 N 0.0125 0.0036 -0.0113 549 ASP 74 CA 0.0134 0.0030 -0.0090 550 ASP 74 C 0.0075 -0.0014 -0.0033 551 ASP 74 O 0.0088 -0.0016 -0.0015 552 ASP 74 CB 0.0106 0.0044 -0.0153 553 ASP 74 CG 0.0176 0.0093 -0.0210 554 ASP 74 OD1 0.0217 0.0104 -0.0198 555 ASP 74 OD2 0.0154 0.0114 -0.0287 556 ASP 75 N 0.0034 -0.0035 -0.0020 557 ASP 75 CA -0.0012 -0.0077 0.0042 558 ASP 75 C -0.0039 -0.0098 0.0068 559 ASP 75 O -0.0105 -0.0129 0.0082 560 ASP 75 CB -0.0105 -0.0089 -0.0020 561 ASP 75 CG -0.0101 -0.0095 -0.0002 562 ASP 75 OD1 -0.0136 -0.0127 0.0047 563 ASP 75 OD2 -0.0208 -0.0134 -0.0008 564 MET 76 N -0.0029 -0.0063 0.0054 565 MET 76 CA -0.0005 -0.0063 0.0048 566 MET 76 C -0.0026 -0.0120 0.0101 567 MET 76 O -0.0051 -0.0109 0.0099 568 MET 76 CB 0.0087 -0.0082 0.0041 569 MET 76 CG 0.0102 -0.0036 -0.0001 570 MET 76 SD 0.0213 -0.0036 -0.0029 571 MET 76 CE 0.0263 -0.0048 -0.0031 572 PRO 77 N -0.0033 -0.0163 0.0140 573 PRO 77 CA -0.0079 -0.0197 0.0181 574 PRO 77 C -0.0140 -0.0180 0.0181 575 PRO 77 O -0.0159 -0.0199 0.0201 576 PRO 77 CB -0.0081 -0.0261 0.0235 577 PRO 77 CG -0.0012 -0.0246 0.0205 578 PRO 77 CD -0.0001 -0.0189 0.0154 579 ASN 78 N -0.0200 -0.0150 0.0171 580 ASN 78 CA -0.0272 -0.0132 0.0173 581 ASN 78 C -0.0265 -0.0080 0.0127 582 ASN 78 O -0.0292 -0.0075 0.0129 583 ASN 78 CB -0.0342 -0.0104 0.0167 584 ASN 78 CG -0.0366 -0.0130 0.0195 585 ASN 78 OD1 -0.0337 -0.0177 0.0227 586 ASN 78 ND2 -0.0394 -0.0170 0.0235 587 ALA 79 N -0.0127 -0.0087 0.0071 588 ALA 79 CA -0.0099 -0.0062 0.0083 589 ALA 79 C -0.0058 -0.0067 0.0062 590 ALA 79 O -0.0035 -0.0051 0.0067 591 ALA 79 CB -0.0108 -0.0048 0.0099 592 LEU 80 N -0.0060 -0.0088 0.0044 593 LEU 80 CA -0.0027 -0.0100 0.0022 594 LEU 80 C -0.0020 -0.0118 0.0002 595 LEU 80 O 0.0002 -0.0133 -0.0019 596 LEU 80 CB -0.0028 -0.0111 0.0012 597 LEU 80 CG -0.0032 -0.0088 0.0034 598 LEU 80 CD1 -0.0035 -0.0102 0.0023 599 LEU 80 CD2 0.0004 -0.0065 0.0041 600 SER 81 N -0.0040 -0.0125 0.0004 601 SER 81 CA -0.0036 -0.0151 -0.0020 602 SER 81 C -0.0001 -0.0147 -0.0030 603 SER 81 O 0.0014 -0.0169 -0.0055 604 SER 81 CB -0.0060 -0.0140 -0.0001 605 SER 81 OG -0.0062 -0.0170 -0.0026 606 ALA 82 N 0.0179 -0.0219 -0.0043 607 ALA 82 CA 0.0191 -0.0248 -0.0028 608 ALA 82 C 0.0132 -0.0221 -0.0005 609 ALA 82 O 0.0120 -0.0208 -0.0007 610 ALA 82 CB 0.0223 -0.0315 0.0005 611 LEU 83 N 0.0086 -0.0233 0.0040 612 LEU 83 CA 0.0025 -0.0216 0.0072 613 LEU 83 C -0.0011 -0.0153 0.0047 614 LEU 83 O -0.0046 -0.0129 0.0053 615 LEU 83 CB -0.0015 -0.0238 0.0120 616 LEU 83 CG -0.0041 -0.0270 0.0168 617 LEU 83 CD1 0.0002 -0.0320 0.0176 618 LEU 83 CD2 -0.0044 -0.0324 0.0215 619 SER 84 N -0.0004 -0.0114 0.0009 620 SER 84 CA -0.0031 -0.0052 -0.0022 621 SER 84 C -0.0006 -0.0027 -0.0062 622 SER 84 O -0.0040 0.0011 -0.0068 623 SER 84 CB -0.0029 0.0002 -0.0069 624 SER 84 OG 0.0009 -0.0035 -0.0067 625 ASP 85 N 0.0080 -0.0017 -0.0127 626 ASP 85 CA 0.0086 0.0002 -0.0136 627 ASP 85 C 0.0051 -0.0018 -0.0104 628 ASP 85 O 0.0029 0.0012 -0.0094 629 ASP 85 CB 0.0131 -0.0037 -0.0162 630 ASP 85 CG 0.0168 -0.0004 -0.0200 631 ASP 85 OD1 0.0172 0.0026 -0.0211 632 ASP 85 OD2 0.0220 -0.0050 -0.0230 633 LEU 86 N 0.0032 -0.0070 -0.0075 634 LEU 86 CA -0.0002 -0.0091 -0.0043 635 LEU 86 C -0.0047 -0.0051 -0.0017 636 LEU 86 O -0.0074 -0.0040 0.0002 637 LEU 86 CB -0.0005 -0.0154 -0.0024 638 LEU 86 CG -0.0038 -0.0175 0.0007 639 LEU 86 CD1 -0.0025 -0.0203 0.0005 640 LEU 86 CD2 -0.0059 -0.0233 0.0039 641 HIS 87 N -0.0056 -0.0030 -0.0015 642 HIS 87 CA -0.0106 0.0002 0.0017 643 HIS 87 C -0.0102 0.0071 -0.0004 644 HIS 87 O -0.0137 0.0091 0.0019 645 HIS 87 CB -0.0120 0.0016 0.0025 646 HIS 87 CG -0.0143 -0.0039 0.0057 647 HIS 87 ND1 -0.0108 -0.0089 0.0042 648 HIS 87 CD2 -0.0183 -0.0056 0.0093 649 HIS 87 CE1 -0.0136 -0.0129 0.0074 650 HIS 87 NE2 -0.0181 -0.0110 0.0105 651 ALA 88 N -0.0074 0.0094 -0.0030 652 ALA 88 CA -0.0064 0.0154 -0.0034 653 ALA 88 C -0.0080 0.0174 -0.0028 654 ALA 88 O -0.0090 0.0214 -0.0025 655 ALA 88 CB -0.0016 0.0174 -0.0051 656 HIS 89 N -0.0058 0.0142 -0.0036 657 HIS 89 CA -0.0059 0.0160 -0.0035 658 HIS 89 C -0.0095 0.0146 -0.0023 659 HIS 89 O -0.0115 0.0172 -0.0016 660 HIS 89 CB -0.0010 0.0152 -0.0053 661 HIS 89 CG 0.0031 0.0178 -0.0067 662 HIS 89 ND1 0.0031 0.0230 -0.0068 663 HIS 89 CD2 0.0079 0.0158 -0.0084 664 HIS 89 CE1 0.0066 0.0249 -0.0080 665 HIS 89 NE2 0.0090 0.0202 -0.0088 666 LYS 90 N -0.0121 0.0104 -0.0013 667 LYS 90 CA -0.0158 0.0082 -0.0000 668 LYS 90 C -0.0210 0.0076 0.0018 669 LYS 90 O -0.0242 0.0103 0.0030 670 LYS 90 CB -0.0140 0.0023 -0.0006 671 LYS 90 CG -0.0091 0.0033 -0.0024 672 LYS 90 CD -0.0092 0.0059 -0.0023 673 LYS 90 CE -0.0046 0.0022 -0.0039 674 LYS 90 NZ -0.0067 0.0112 -0.0032 675 LEU 91 N -0.0142 0.0064 0.0037 676 LEU 91 CA -0.0159 0.0055 0.0032 677 LEU 91 C -0.0150 0.0079 0.0053 678 LEU 91 O -0.0176 0.0085 0.0064 679 LEU 91 CB -0.0146 0.0026 0.0003 680 LEU 91 CG -0.0156 0.0001 -0.0019 681 LEU 91 CD1 -0.0142 -0.0022 -0.0043 682 LEU 91 CD2 -0.0196 -0.0003 -0.0015 683 ARG 92 N -0.0115 0.0089 0.0055 684 ARG 92 CA -0.0101 0.0116 0.0078 685 ARG 92 C -0.0109 0.0113 0.0076 686 ARG 92 O -0.0124 0.0130 0.0095 687 ARG 92 CB -0.0119 0.0142 0.0105 688 ARG 92 CG -0.0101 0.0151 0.0110 689 ARG 92 CD -0.0149 0.0159 0.0127 690 ARG 92 NE -0.0115 0.0173 0.0134 691 ARG 92 CZ -0.0166 0.0187 0.0156 692 ARG 92 NH1 -0.0197 0.0163 0.0140 693 ARG 92 NH2 -0.0157 0.0204 0.0171 694 VAL 93 N -0.0101 0.0091 0.0055 695 VAL 93 CA -0.0104 0.0083 0.0047 696 VAL 93 C -0.0077 0.0100 0.0058 697 VAL 93 O -0.0040 0.0103 0.0053 698 VAL 93 CB -0.0099 0.0053 0.0018 699 VAL 93 CG1 -0.0100 0.0047 0.0013 700 VAL 93 CG2 -0.0130 0.0034 0.0006 701 ASP 94 N -0.0012 0.0103 0.0058 702 ASP 94 CA -0.0025 0.0096 0.0052 703 ASP 94 C -0.0039 0.0107 0.0063 704 ASP 94 O -0.0033 0.0116 0.0072 705 ASP 94 CB -0.0016 0.0092 0.0048 706 ASP 94 CG -0.0030 0.0083 0.0040 707 ASP 94 OD1 -0.0030 0.0072 0.0030 708 ASP 94 OD2 -0.0041 0.0088 0.0046 709 PRO 95 N -0.0054 0.0103 0.0061 710 PRO 95 CA -0.0067 0.0111 0.0070 711 PRO 95 C -0.0065 0.0116 0.0074 712 PRO 95 O -0.0072 0.0128 0.0085 713 PRO 95 CB -0.0083 0.0104 0.0064 714 PRO 95 CG -0.0081 0.0095 0.0055 715 PRO 95 CD -0.0063 0.0092 0.0051 716 VAL 96 N -0.0057 0.0111 0.0069 717 VAL 96 CA -0.0057 0.0118 0.0075 718 VAL 96 C -0.0049 0.0130 0.0086 719 VAL 96 O -0.0050 0.0138 0.0094 720 VAL 96 CB -0.0048 0.0107 0.0065 721 VAL 96 CG1 -0.0034 0.0107 0.0063 722 VAL 96 CG2 -0.0052 0.0111 0.0069 723 ASN 97 N -0.0045 0.0064 0.0079 724 ASN 97 CA -0.0041 0.0083 0.0066 725 ASN 97 C -0.0052 0.0096 0.0070 726 ASN 97 O -0.0045 0.0107 0.0058 727 ASN 97 CB -0.0046 0.0097 0.0064 728 ASN 97 CG -0.0036 0.0087 0.0059 729 ASN 97 OD1 -0.0023 0.0089 0.0046 730 ASN 97 ND2 -0.0043 0.0077 0.0071 731 PHE 98 N -0.0063 0.0090 0.0083 732 PHE 98 CA -0.0072 0.0099 0.0088 733 PHE 98 C -0.0060 0.0095 0.0079 734 PHE 98 O -0.0061 0.0108 0.0073 735 PHE 98 CB -0.0087 0.0095 0.0105 736 PHE 98 CG -0.0098 0.0102 0.0112 737 PHE 98 CD1 -0.0109 0.0119 0.0114 738 PHE 98 CD2 -0.0098 0.0093 0.0116 739 PHE 98 CE1 -0.0119 0.0127 0.0120 740 PHE 98 CE2 -0.0109 0.0104 0.0122 741 PHE 98 CZ -0.0118 0.0119 0.0123 742 LYS 99 N -0.0050 0.0077 0.0077 743 LYS 99 CA -0.0037 0.0073 0.0067 744 LYS 99 C -0.0026 0.0082 0.0052 745 LYS 99 O -0.0023 0.0089 0.0046 746 LYS 99 CB -0.0030 0.0050 0.0072 747 LYS 99 CG -0.0037 0.0039 0.0083 748 LYS 99 CD -0.0034 0.0026 0.0088 749 LYS 99 CE -0.0024 0.0006 0.0087 750 LYS 99 NZ -0.0031 -0.0018 0.0106 751 LEU 100 N -0.0025 0.0064 0.0043 752 LEU 100 CA -0.0031 0.0062 0.0034 753 LEU 100 C -0.0037 0.0060 0.0023 754 LEU 100 O -0.0035 0.0056 0.0012 755 LEU 100 CB -0.0040 0.0066 0.0039 756 LEU 100 CG -0.0035 0.0069 0.0051 757 LEU 100 CD1 -0.0047 0.0074 0.0056 758 LEU 100 CD2 -0.0027 0.0065 0.0046 759 LEU 101 N -0.0043 0.0062 0.0025 760 LEU 101 CA -0.0049 0.0060 0.0015 761 LEU 101 C -0.0039 0.0056 0.0009 762 LEU 101 O -0.0038 0.0051 -0.0003 763 LEU 101 CB -0.0056 0.0064 0.0021 764 LEU 101 CG -0.0062 0.0062 0.0011 765 LEU 101 CD1 -0.0070 0.0061 -0.0000 766 LEU 101 CD2 -0.0070 0.0067 0.0018 767 SER 102 N -0.0026 0.0055 0.0015 768 SER 102 CA -0.0016 0.0050 0.0010 769 SER 102 C -0.0011 0.0046 -0.0000 770 SER 102 O -0.0008 0.0041 -0.0011 771 SER 102 CB -0.0005 0.0051 0.0020 772 SER 102 OG -0.0009 0.0054 0.0027 773 HIS 103 N 0.0006 0.0025 -0.0000 774 HIS 103 CA 0.0005 0.0022 -0.0004 775 HIS 103 C 0.0002 0.0019 -0.0009 776 HIS 103 O 0.0002 0.0015 -0.0012 777 HIS 103 CB 0.0003 0.0022 -0.0005 778 HIS 103 CG 0.0002 0.0019 -0.0009 779 HIS 103 ND1 -0.0003 0.0020 -0.0012 780 HIS 103 CD2 0.0005 0.0014 -0.0010 781 HIS 103 CE1 -0.0003 0.0016 -0.0015 782 HIS 103 NE2 0.0002 0.0012 -0.0015 783 CYS 104 N -0.0003 0.0024 -0.0009 784 CYS 104 CA -0.0007 0.0023 -0.0014 785 CYS 104 C -0.0005 0.0021 -0.0013 786 CYS 104 O -0.0007 0.0018 -0.0017 787 CYS 104 CB -0.0012 0.0028 -0.0013 788 CYS 104 SG -0.0015 0.0030 -0.0014 789 LEU 105 N -0.0002 0.0022 -0.0010 790 LEU 105 CA 0.0000 0.0019 -0.0010 791 LEU 105 C 0.0004 0.0013 -0.0012 792 LEU 105 O 0.0003 0.0010 -0.0015 793 LEU 105 CB 0.0003 0.0022 -0.0005 794 LEU 105 CG 0.0001 0.0025 -0.0004 795 LEU 105 CD1 0.0004 0.0029 0.0001 796 LEU 105 CD2 -0.0001 0.0025 -0.0006 797 LEU 106 N 0.0032 -0.0012 -0.0034 798 LEU 106 CA 0.0030 -0.0010 -0.0032 799 LEU 106 C 0.0024 -0.0012 -0.0026 800 LEU 106 O 0.0024 -0.0016 -0.0023 801 LEU 106 CB 0.0028 -0.0000 -0.0035 802 LEU 106 CG 0.0031 0.0004 -0.0040 803 LEU 106 CD1 0.0028 0.0013 -0.0041 804 LEU 106 CD2 0.0037 0.0000 -0.0044 805 VAL 107 N 0.0019 -0.0012 -0.0021 806 VAL 107 CA 0.0014 -0.0015 -0.0015 807 VAL 107 C 0.0016 -0.0024 -0.0012 808 VAL 107 O 0.0013 -0.0028 -0.0008 809 VAL 107 CB 0.0009 -0.0013 -0.0011 810 VAL 107 CG1 0.0004 -0.0017 -0.0004 811 VAL 107 CG2 0.0005 -0.0002 -0.0012 812 THR 108 N 0.0021 -0.0029 -0.0015 813 THR 108 CA 0.0023 -0.0038 -0.0013 814 THR 108 C 0.0026 -0.0040 -0.0015 815 THR 108 O 0.0025 -0.0046 -0.0011 816 THR 108 CB 0.0028 -0.0041 -0.0017 817 THR 108 OG1 0.0025 -0.0040 -0.0014 818 THR 108 CG2 0.0030 -0.0050 -0.0014 819 LEU 109 N 0.0035 -0.0036 -0.0007 820 LEU 109 CA 0.0037 -0.0040 -0.0003 821 LEU 109 C 0.0039 -0.0047 -0.0009 822 LEU 109 O 0.0039 -0.0048 -0.0010 823 LEU 109 CB 0.0038 -0.0042 0.0005 824 LEU 109 CG 0.0037 -0.0035 0.0011 825 LEU 109 CD1 0.0038 -0.0037 0.0017 826 LEU 109 CD2 0.0035 -0.0030 0.0010 827 ALA 110 N 0.0040 -0.0051 -0.0011 828 ALA 110 CA 0.0042 -0.0057 -0.0015 829 ALA 110 C 0.0041 -0.0056 -0.0022 830 ALA 110 O 0.0041 -0.0059 -0.0026 831 ALA 110 CB 0.0043 -0.0061 -0.0017 832 ALA 111 N 0.0038 -0.0050 -0.0027 833 ALA 111 CA 0.0037 -0.0047 -0.0033 834 ALA 111 C 0.0036 -0.0044 -0.0033 835 ALA 111 O 0.0035 -0.0044 -0.0038 836 ALA 111 CB 0.0034 -0.0042 -0.0038 837 HIS 112 N 0.0045 -0.0048 -0.0011 838 HIS 112 CA 0.0043 -0.0044 -0.0010 839 HIS 112 C 0.0040 -0.0042 -0.0010 840 HIS 112 O 0.0039 -0.0039 -0.0010 841 HIS 112 CB 0.0041 -0.0045 -0.0010 842 HIS 112 CG 0.0044 -0.0046 -0.0011 843 HIS 112 ND1 0.0045 -0.0042 -0.0011 844 HIS 112 CD2 0.0046 -0.0049 -0.0011 845 HIS 112 CE1 0.0048 -0.0044 -0.0011 846 HIS 112 NE2 0.0049 -0.0048 -0.0011 847 LEU 113 N 0.0038 -0.0044 -0.0010 848 LEU 113 CA 0.0035 -0.0042 -0.0009 849 LEU 113 C 0.0036 -0.0042 -0.0009 850 LEU 113 O 0.0034 -0.0044 -0.0009 851 LEU 113 CB 0.0032 -0.0045 -0.0009 852 LEU 113 CG 0.0029 -0.0045 -0.0009 853 LEU 113 CD1 0.0025 -0.0048 -0.0008 854 LEU 113 CD2 0.0029 -0.0042 -0.0009 855 PRO 114 N 0.0039 -0.0040 -0.0010 856 PRO 114 CA 0.0040 -0.0040 -0.0010 857 PRO 114 C 0.0037 -0.0039 -0.0009 858 PRO 114 O 0.0036 -0.0041 -0.0009 859 PRO 114 CB 0.0043 -0.0037 -0.0010 860 PRO 114 CG 0.0042 -0.0034 -0.0010 861 PRO 114 CD 0.0040 -0.0038 -0.0010 862 ALA 115 N 0.0021 -0.0028 -0.0011 863 ALA 115 CA 0.0021 -0.0029 -0.0010 864 ALA 115 C 0.0021 -0.0030 -0.0009 865 ALA 115 O 0.0020 -0.0031 -0.0008 866 ALA 115 CB 0.0021 -0.0027 -0.0010 867 GLU 116 N 0.0020 -0.0029 -0.0008 868 GLU 116 CA 0.0019 -0.0030 -0.0006 869 GLU 116 C 0.0020 -0.0031 -0.0006 870 GLU 116 O 0.0019 -0.0032 -0.0005 871 GLU 116 CB 0.0019 -0.0028 -0.0006 872 GLU 116 CG 0.0018 -0.0027 -0.0005 873 GLU 116 CD 0.0019 -0.0025 -0.0007 874 GLU 116 OE1 0.0019 -0.0025 -0.0008 875 GLU 116 OE2 0.0018 -0.0024 -0.0006 876 PHE 117 N 0.0020 -0.0032 -0.0008 877 PHE 117 CA 0.0021 -0.0033 -0.0008 878 PHE 117 C 0.0021 -0.0035 -0.0008 879 PHE 117 O 0.0022 -0.0036 -0.0009 880 PHE 117 CB 0.0021 -0.0032 -0.0009 881 PHE 117 CG 0.0021 -0.0033 -0.0009 882 PHE 117 CD1 0.0021 -0.0032 -0.0008 883 PHE 117 CD2 0.0022 -0.0034 -0.0010 884 PHE 117 CE1 0.0021 -0.0033 -0.0008 885 PHE 117 CE2 0.0022 -0.0035 -0.0010 886 PHE 117 CZ 0.0022 -0.0035 -0.0009 887 THR 118 N -0.0000 -0.0042 0.0022 888 THR 118 CA 0.0001 -0.0034 0.0022 889 THR 118 C 0.0001 -0.0027 0.0024 890 THR 118 O 0.0002 -0.0029 0.0022 891 THR 118 CB 0.0006 -0.0034 0.0014 892 THR 118 OG1 0.0010 -0.0034 0.0008 893 THR 118 CG2 0.0006 -0.0039 0.0012 894 PRO 119 N 0.0003 -0.0019 0.0024 895 PRO 119 CA 0.0004 -0.0011 0.0026 896 PRO 119 C 0.0008 -0.0011 0.0020 897 PRO 119 O 0.0008 -0.0010 0.0020 898 PRO 119 CB 0.0005 -0.0003 0.0027 899 PRO 119 CG 0.0002 -0.0005 0.0031 900 PRO 119 CD 0.0002 -0.0016 0.0027 901 ALA 120 N 0.0012 -0.0013 0.0012 902 ALA 120 CA 0.0016 -0.0013 0.0006 903 ALA 120 C 0.0015 -0.0021 0.0004 904 ALA 120 O 0.0016 -0.0020 0.0002 905 ALA 120 CB 0.0021 -0.0012 -0.0003 906 VAL 121 N -0.0001 -0.0012 -0.0018 907 VAL 121 CA 0.0010 -0.0015 -0.0019 908 VAL 121 C 0.0016 -0.0019 -0.0027 909 VAL 121 O 0.0021 -0.0022 -0.0033 910 VAL 121 CB 0.0016 -0.0014 -0.0008 911 VAL 121 CG1 0.0029 -0.0018 -0.0009 912 VAL 121 CG2 0.0012 -0.0012 -0.0002 913 HIS 122 N 0.0014 -0.0018 -0.0024 914 HIS 122 CA 0.0018 -0.0021 -0.0032 915 HIS 122 C 0.0015 -0.0023 -0.0043 916 HIS 122 O 0.0021 -0.0027 -0.0050 917 HIS 122 CB 0.0014 -0.0018 -0.0026 918 HIS 122 CG 0.0016 -0.0021 -0.0032 919 HIS 122 ND1 0.0014 -0.0018 -0.0027 920 HIS 122 CD2 0.0022 -0.0024 -0.0041 921 HIS 122 CE1 0.0018 -0.0022 -0.0035 922 HIS 122 NE2 0.0023 -0.0025 -0.0043 923 ALA 123 N 0.0005 -0.0020 -0.0045 924 ALA 123 CA 0.0000 -0.0022 -0.0056 925 ALA 123 C 0.0006 -0.0025 -0.0061 926 ALA 123 O 0.0009 -0.0028 -0.0071 927 ALA 123 CB -0.0012 -0.0018 -0.0057 928 SER 124 N 0.0016 -0.0020 -0.0051 929 SER 124 CA 0.0024 -0.0016 -0.0047 930 SER 124 C 0.0033 -0.0008 -0.0052 931 SER 124 O 0.0039 -0.0003 -0.0055 932 SER 124 CB 0.0027 -0.0017 -0.0034 933 SER 124 OG 0.0020 -0.0024 -0.0029 934 LEU 125 N 0.0033 -0.0008 -0.0053 935 LEU 125 CA 0.0042 -0.0000 -0.0057 936 LEU 125 C 0.0041 0.0003 -0.0069 937 LEU 125 O 0.0048 0.0009 -0.0073 938 LEU 125 CB 0.0042 -0.0001 -0.0056 939 LEU 125 CG 0.0046 -0.0001 -0.0045 940 LEU 125 CD1 0.0044 -0.0003 -0.0044 941 LEU 125 CD2 0.0056 0.0004 -0.0041 942 ASP 126 N 0.0033 -0.0001 -0.0076 943 ASP 126 CA 0.0031 0.0001 -0.0088 944 ASP 126 C 0.0034 0.0004 -0.0089 945 ASP 126 O 0.0039 0.0010 -0.0096 946 ASP 126 CB 0.0021 -0.0004 -0.0093 947 ASP 126 CG 0.0018 -0.0002 -0.0106 948 ASP 126 OD1 0.0025 0.0004 -0.0110 949 ASP 126 OD2 0.0014 -0.0003 -0.0111 950 LYS 127 N 0.0014 -0.0017 -0.0094 951 LYS 127 CA 0.0020 -0.0013 -0.0084 952 LYS 127 C 0.0031 0.0004 -0.0078 953 LYS 127 O 0.0036 0.0014 -0.0078 954 LYS 127 CB 0.0015 -0.0031 -0.0073 955 LYS 127 CG 0.0018 -0.0031 -0.0067 956 LYS 127 CD 0.0009 -0.0055 -0.0060 957 LYS 127 CE 0.0016 -0.0050 -0.0046 958 LYS 127 NZ 0.0014 -0.0066 -0.0032 959 PHE 128 N 0.0035 0.0005 -0.0069 960 PHE 128 CA 0.0046 0.0021 -0.0061 961 PHE 128 C 0.0048 0.0037 -0.0076 962 PHE 128 O 0.0056 0.0050 -0.0073 963 PHE 128 CB 0.0048 0.0019 -0.0053 964 PHE 128 CG 0.0059 0.0036 -0.0047 965 PHE 128 CD1 0.0068 0.0042 -0.0032 966 PHE 128 CD2 0.0060 0.0043 -0.0055 967 PHE 128 CE1 0.0077 0.0058 -0.0028 968 PHE 128 CE2 0.0069 0.0058 -0.0051 969 PHE 128 CZ 0.0077 0.0063 -0.0037 970 LEU 129 N 0.0041 0.0036 -0.0093 971 LEU 129 CA 0.0044 0.0052 -0.0106 972 LEU 129 C 0.0043 0.0055 -0.0114 973 LEU 129 O 0.0049 0.0071 -0.0118 974 LEU 129 CB 0.0038 0.0050 -0.0121 975 LEU 129 CG 0.0039 0.0048 -0.0116 976 LEU 129 CD1 0.0032 0.0044 -0.0128 977 LEU 129 CD2 0.0051 0.0068 -0.0110 978 ALA 130 N 0.0011 0.0058 -0.0027 979 ALA 130 CA 0.0020 0.0077 -0.0004 980 ALA 130 C 0.0026 0.0079 -0.0003 981 ALA 130 O 0.0020 0.0090 0.0015 982 ALA 130 CB 0.0046 0.0087 -0.0000 983 SER 131 N 0.0039 0.0069 -0.0024 984 SER 131 CA 0.0045 0.0071 -0.0023 985 SER 131 C 0.0017 0.0063 -0.0022 986 SER 131 O 0.0018 0.0073 -0.0009 987 SER 131 CB 0.0065 0.0060 -0.0048 988 SER 131 OG 0.0087 0.0068 -0.0046 989 VAL 132 N 0.0002 0.0048 -0.0036 990 VAL 132 CA -0.0024 0.0042 -0.0034 991 VAL 132 C -0.0038 0.0056 -0.0008 992 VAL 132 O -0.0048 0.0060 0.0002 993 VAL 132 CB -0.0041 0.0027 -0.0048 994 VAL 132 CG1 -0.0072 0.0018 -0.0047 995 VAL 132 CG2 -0.0031 0.0011 -0.0076 996 SER 133 N -0.0116 0.0050 0.0104 997 SER 133 CA -0.0131 0.0067 0.0139 998 SER 133 C -0.0111 0.0097 0.0130 999 SER 133 O -0.0125 0.0088 0.0144 1000 SER 133 CB -0.0141 0.0091 0.0170 1001 SER 133 OG -0.0162 0.0064 0.0184 1002 THR 134 N -0.0085 0.0121 0.0107 1003 THR 134 CA -0.0069 0.0145 0.0100 1004 THR 134 C -0.0064 0.0121 0.0075 1005 THR 134 O -0.0063 0.0128 0.0079 1006 THR 134 CB -0.0041 0.0176 0.0080 1007 THR 134 OG1 -0.0041 0.0205 0.0098 1008 THR 134 CG2 -0.0015 0.0202 0.0059 1009 VAL 135 N -0.0059 0.0087 0.0045 1010 VAL 135 CA -0.0054 0.0060 0.0019 1011 VAL 135 C -0.0084 0.0032 0.0044 1012 VAL 135 O -0.0083 0.0030 0.0041 1013 VAL 135 CB -0.0044 0.0028 -0.0017 1014 VAL 135 CG1 -0.0049 -0.0009 -0.0036 1015 VAL 135 CG2 -0.0016 0.0053 -0.0043 1016 LEU 136 N -0.0075 0.0062 0.0030 1017 LEU 136 CA -0.0082 0.0040 0.0047 1018 LEU 136 C -0.0088 0.0072 0.0043 1019 LEU 136 O -0.0087 0.0052 0.0049 1020 LEU 136 CB -0.0104 0.0011 0.0086 1021 LEU 136 CG -0.0093 -0.0039 0.0091 1022 LEU 136 CD1 -0.0121 -0.0051 0.0132 1023 LEU 136 CD2 -0.0062 -0.0068 0.0062 1024 THR 137 N -0.0100 0.0115 0.0042 1025 THR 137 CA -0.0113 0.0153 0.0045 1026 THR 137 C -0.0089 0.0176 0.0005 1027 THR 137 O -0.0094 0.0207 -0.0001 1028 THR 137 CB -0.0146 0.0200 0.0070 1029 THR 137 OG1 -0.0164 0.0161 0.0107 1030 THR 137 CG2 -0.0145 0.0197 0.0070 1031 SER 138 N -0.0064 0.0166 -0.0024 1032 SER 138 CA -0.0040 0.0188 -0.0063 1033 SER 138 C -0.0023 0.0194 -0.0088 1034 SER 138 O -0.0019 0.0231 -0.0106 1035 SER 138 CB -0.0001 0.0149 -0.0099 1036 SER 138 OG -0.0021 0.0189 -0.0089 1037 LYS 139 N -0.0005 0.0131 -0.0103 1038 LYS 139 CA -0.0005 0.0119 -0.0110 1039 LYS 139 C -0.0007 0.0117 -0.0094 1040 LYS 139 O -0.0008 0.0106 -0.0094 1041 LYS 139 CB -0.0005 0.0103 -0.0118 1042 LYS 139 CG -0.0003 0.0106 -0.0133 1043 LYS 139 CD -0.0004 0.0090 -0.0139 1044 LYS 139 CE -0.0002 0.0092 -0.0154 1045 LYS 139 NZ -0.0003 0.0070 -0.0156 1046 TYR 140 N -0.0008 0.0125 -0.0079 1047 TYR 140 CA -0.0010 0.0123 -0.0065 1048 TYR 140 C -0.0009 0.0126 -0.0065 1049 TYR 140 O -0.0011 0.0116 -0.0058 1050 TYR 140 CB -0.0011 0.0133 -0.0048 1051 TYR 140 CG -0.0013 0.0124 -0.0039 1052 TYR 140 CD1 -0.0015 0.0125 -0.0020 1053 TYR 140 CD2 -0.0012 0.0116 -0.0046 1054 TYR 140 CE1 -0.0016 0.0116 -0.0011 1055 TYR 140 CE2 -0.0014 0.0109 -0.0035 1056 TYR 140 CZ -0.0016 0.0110 -0.0017 1057 TYR 140 OH -0.0018 0.0103 -0.0009 1058 ARG 141 N -0.0007 0.0136 -0.0076 1059 ARG 141 CA -0.0006 0.0142 -0.0079 1060 ARG 141 C -0.0004 0.0148 -0.0099 1061 ARG 141 O -0.0003 0.0155 -0.0104 1062 ARG 141 CB -0.0008 0.0149 -0.0065 1063 ARG 141 CG -0.0006 0.0170 -0.0063 1064 ARG 141 CD -0.0007 0.0177 -0.0049 1065 ARG 141 NE -0.0006 0.0191 -0.0048 1066 ARG 141 CZ -0.0006 0.0205 -0.0039 1067 ARG 141 NH1 -0.0008 0.0204 -0.0027 1068 ARG 141 NH2 -0.0005 0.0220 -0.0038 1069 ARG 141 OXT -0.0003 0.0149 -0.0101 1070 VAL 1 N -0.0060 0.0098 0.0048 1071 VAL 1 CA -0.0041 0.0077 0.0034 1072 VAL 1 C -0.0032 0.0051 0.0061 1073 VAL 1 O -0.0048 0.0066 0.0078 1074 VAL 1 CB -0.0028 0.0066 0.0018 1075 VAL 1 CG1 -0.0019 0.0069 -0.0016 1076 VAL 1 CG2 -0.0031 0.0065 0.0029 1077 HIS 2 N -0.0024 0.0044 0.0051 1078 HIS 2 CA -0.0020 0.0025 0.0074 1079 HIS 2 C -0.0004 0.0002 0.0075 1080 HIS 2 O 0.0012 -0.0014 0.0059 1081 HIS 2 CB 0.0000 0.0006 0.0056 1082 HIS 2 CG 0.0007 -0.0007 0.0060 1083 HIS 2 ND1 0.0028 -0.0030 0.0045 1084 HIS 2 CD2 0.0001 -0.0015 0.0094 1085 HIS 2 CE1 0.0031 -0.0052 0.0079 1086 HIS 2 NE2 0.0019 -0.0047 0.0107 1087 LEU 3 N -0.0011 0.0004 0.0092 1088 LEU 3 CA 0.0000 -0.0018 0.0101 1089 LEU 3 C -0.0001 -0.0031 0.0130 1090 LEU 3 O -0.0011 -0.0021 0.0143 1091 LEU 3 CB -0.0013 -0.0002 0.0108 1092 LEU 3 CG -0.0013 0.0011 0.0083 1093 LEU 3 CD1 -0.0022 0.0020 0.0092 1094 LEU 3 CD2 0.0002 -0.0007 0.0076 1095 THR 4 N 0.0013 0.0003 0.0164 1096 THR 4 CA 0.0019 0.0024 0.0114 1097 THR 4 C 0.0038 0.0019 0.0081 1098 THR 4 O 0.0045 0.0008 0.0087 1099 THR 4 CB -0.0018 0.0063 0.0129 1100 THR 4 OG1 -0.0031 0.0081 0.0127 1101 THR 4 CG2 -0.0046 0.0077 0.0166 1102 PRO 5 N 0.0043 0.0040 0.0035 1103 PRO 5 CA 0.0062 0.0036 -0.0001 1104 PRO 5 C 0.0050 0.0051 -0.0001 1105 PRO 5 O 0.0069 0.0036 -0.0017 1106 PRO 5 CB 0.0073 0.0048 -0.0048 1107 PRO 5 CG 0.0061 0.0052 -0.0027 1108 PRO 5 CD 0.0045 0.0047 0.0018 1109 GLU 6 N 0.0017 0.0083 0.0015 1110 GLU 6 CA 0.0002 0.0107 0.0007 1111 GLU 6 C 0.0004 0.0081 0.0049 1112 GLU 6 O 0.0006 0.0085 0.0036 1113 GLU 6 CB -0.0038 0.0147 0.0027 1114 GLU 6 CG -0.0056 0.0157 0.0048 1115 GLU 6 CD -0.0050 0.0157 0.0035 1116 GLU 6 OE1 -0.0023 0.0154 -0.0019 1117 GLU 6 OE2 -0.0042 0.0140 0.0048 1118 GLU 7 N 0.0010 0.0013 0.0059 1119 GLU 7 CA 0.0020 0.0009 0.0072 1120 GLU 7 C 0.0035 0.0000 0.0063 1121 GLU 7 O 0.0042 -0.0004 0.0061 1122 GLU 7 CB 0.0018 0.0012 0.0083 1123 GLU 7 CG 0.0004 0.0021 0.0093 1124 GLU 7 CD 0.0007 0.0022 0.0110 1125 GLU 7 OE1 0.0001 0.0025 0.0117 1126 GLU 7 OE2 0.0010 0.0021 0.0117 1127 LYS 8 N 0.0039 -0.0002 0.0063 1128 LYS 8 CA 0.0052 -0.0010 0.0058 1129 LYS 8 C 0.0053 -0.0013 0.0042 1130 LYS 8 O 0.0065 -0.0020 0.0036 1131 LYS 8 CB 0.0053 -0.0010 0.0058 1132 LYS 8 CG 0.0060 -0.0015 0.0052 1133 LYS 8 CD 0.0069 -0.0021 0.0046 1134 LYS 8 CE 0.0080 -0.0028 0.0037 1135 LYS 8 NZ 0.0081 -0.0030 0.0023 1136 SER 9 N 0.0044 -0.0010 0.0029 1137 SER 9 CA 0.0044 -0.0011 0.0016 1138 SER 9 C 0.0046 -0.0013 0.0012 1139 SER 9 O 0.0054 -0.0018 0.0004 1140 SER 9 CB 0.0034 -0.0008 0.0000 1141 SER 9 OG 0.0026 -0.0004 0.0001 1142 ALA 10 N 0.0099 -0.0020 -0.0020 1143 ALA 10 CA 0.0100 -0.0021 -0.0022 1144 ALA 10 C 0.0096 -0.0015 -0.0026 1145 ALA 10 O 0.0095 -0.0014 -0.0026 1146 ALA 10 CB 0.0103 -0.0024 -0.0027 1147 VAL 11 N 0.0094 -0.0012 -0.0030 1148 VAL 11 CA 0.0090 -0.0007 -0.0033 1149 VAL 11 C 0.0087 -0.0004 -0.0028 1150 VAL 11 O 0.0085 -0.0001 -0.0029 1151 VAL 11 CB 0.0089 -0.0005 -0.0036 1152 VAL 11 CG1 0.0085 0.0001 -0.0038 1153 VAL 11 CG2 0.0093 -0.0007 -0.0043 1154 THR 12 N 0.0086 -0.0003 -0.0023 1155 THR 12 CA 0.0082 0.0000 -0.0017 1156 THR 12 C 0.0082 -0.0001 -0.0014 1157 THR 12 O 0.0080 0.0001 -0.0013 1158 THR 12 CB 0.0081 0.0000 -0.0011 1159 THR 12 OG1 0.0080 0.0002 -0.0015 1160 THR 12 CG2 0.0081 -0.0001 -0.0009 1161 ALA 13 N 0.0107 -0.0019 -0.0003 1162 ALA 13 CA 0.0110 -0.0015 0.0021 1163 ALA 13 C 0.0099 -0.0010 0.0025 1164 ALA 13 O 0.0083 -0.0001 0.0042 1165 ALA 13 CB 0.0144 -0.0025 0.0029 1166 LEU 14 N 0.0101 -0.0016 0.0002 1167 LEU 14 CA 0.0083 -0.0010 0.0001 1168 LEU 14 C 0.0053 -0.0000 0.0000 1169 LEU 14 O 0.0037 0.0007 0.0007 1170 LEU 14 CB 0.0096 -0.0021 -0.0026 1171 LEU 14 CG 0.0090 -0.0019 -0.0026 1172 LEU 14 CD1 0.0099 -0.0016 -0.0003 1173 LEU 14 CD2 0.0088 -0.0025 -0.0058 1174 TRP 15 N 0.0044 -0.0002 -0.0021 1175 TRP 15 CA 0.0013 0.0008 -0.0026 1176 TRP 15 C -0.0001 0.0019 0.0003 1177 TRP 15 O -0.0026 0.0028 0.0002 1178 TRP 15 CB 0.0009 0.0004 -0.0049 1179 TRP 15 CG -0.0023 0.0013 -0.0060 1180 TRP 15 CD1 -0.0043 0.0021 -0.0056 1181 TRP 15 CD2 -0.0033 0.0012 -0.0081 1182 TRP 15 NE1 -0.0068 0.0026 -0.0072 1183 TRP 15 CE2 -0.0064 0.0021 -0.0087 1184 TRP 15 CE3 -0.0021 0.0005 -0.0095 1185 TRP 15 CZ2 -0.0080 0.0022 -0.0108 1186 TRP 15 CZ3 -0.0040 0.0007 -0.0114 1187 TRP 15 CH2 -0.0066 0.0015 -0.0121 1188 GLY 16 N 0.0032 0.0012 0.0001 1189 GLY 16 CA 0.0014 0.0027 0.0045 1190 GLY 16 C 0.0003 0.0035 0.0071 1191 GLY 16 O -0.0024 0.0049 0.0101 1192 LYS 17 N 0.0016 0.0031 0.0064 1193 LYS 17 CA 0.0009 0.0038 0.0088 1194 LYS 17 C -0.0024 0.0041 0.0067 1195 LYS 17 O -0.0041 0.0050 0.0088 1196 LYS 17 CB 0.0044 0.0031 0.0093 1197 LYS 17 CG 0.0085 0.0026 0.0114 1198 LYS 17 CD 0.0120 0.0021 0.0125 1199 LYS 17 CE 0.0167 0.0014 0.0142 1200 LYS 17 NZ 0.0183 0.0013 0.0155 1201 VAL 18 N -0.0049 0.0038 0.0032 1202 VAL 18 CA -0.0079 0.0039 0.0006 1203 VAL 18 C -0.0126 0.0053 0.0021 1204 VAL 18 O -0.0142 0.0058 0.0023 1205 VAL 18 CB -0.0080 0.0028 -0.0041 1206 VAL 18 CG1 -0.0116 0.0031 -0.0064 1207 VAL 18 CG2 -0.0036 0.0015 -0.0054 1208 ASN 19 N -0.0150 0.0066 -0.0063 1209 ASN 19 CA -0.0149 0.0036 -0.0063 1210 ASN 19 C -0.0145 0.0034 -0.0051 1211 ASN 19 O -0.0138 0.0040 -0.0028 1212 ASN 19 CB -0.0142 0.0022 -0.0041 1213 ASN 19 CG -0.0140 -0.0005 -0.0036 1214 ASN 19 OD1 -0.0142 -0.0016 -0.0042 1215 ASN 19 ND2 -0.0138 -0.0017 -0.0030 1216 VAL 20 N -0.0151 0.0028 -0.0067 1217 VAL 20 CA -0.0149 0.0031 -0.0062 1218 VAL 20 C -0.0143 0.0015 -0.0043 1219 VAL 20 O -0.0135 0.0020 -0.0022 1220 VAL 20 CB -0.0158 0.0026 -0.0087 1221 VAL 20 CG1 -0.0155 0.0027 -0.0079 1222 VAL 20 CG2 -0.0164 0.0049 -0.0104 1223 ASP 21 N -0.0140 -0.0008 -0.0036 1224 ASP 21 CA -0.0133 -0.0028 -0.0017 1225 ASP 21 C -0.0125 -0.0018 0.0005 1226 ASP 21 O -0.0119 -0.0017 0.0025 1227 ASP 21 CB -0.0135 -0.0053 -0.0024 1228 ASP 21 CG -0.0143 -0.0073 -0.0049 1229 ASP 21 OD1 -0.0143 -0.0064 -0.0049 1230 ASP 21 OD2 -0.0141 -0.0099 -0.0044 1231 GLU 22 N -0.0127 -0.0011 -0.0001 1232 GLU 22 CA -0.0119 -0.0009 0.0010 1233 GLU 22 C -0.0116 0.0005 0.0014 1234 GLU 22 O -0.0110 0.0007 0.0022 1235 GLU 22 CB -0.0121 -0.0010 0.0008 1236 GLU 22 CG -0.0115 -0.0005 0.0015 1237 GLU 22 CD -0.0111 -0.0000 0.0020 1238 GLU 22 OE1 -0.0120 0.0004 0.0008 1239 GLU 22 OE2 -0.0117 -0.0016 0.0013 1240 VAL 23 N -0.0121 0.0014 0.0006 1241 VAL 23 CA -0.0119 0.0027 0.0008 1242 VAL 23 C -0.0117 0.0028 0.0010 1243 VAL 23 O -0.0112 0.0037 0.0017 1244 VAL 23 CB -0.0125 0.0036 -0.0001 1245 VAL 23 CG1 -0.0124 0.0048 0.0000 1246 VAL 23 CG2 -0.0124 0.0034 0.0001 1247 GLY 24 N -0.0121 0.0022 0.0005 1248 GLY 24 CA -0.0120 0.0022 0.0007 1249 GLY 24 C -0.0112 0.0019 0.0017 1250 GLY 24 O -0.0108 0.0024 0.0023 1251 GLY 25 N -0.0067 0.0030 0.0025 1252 GLY 25 CA -0.0061 0.0030 0.0020 1253 GLY 25 C -0.0054 0.0026 0.0015 1254 GLY 25 O -0.0049 0.0030 0.0010 1255 GLU 26 N -0.0053 0.0019 0.0017 1256 GLU 26 CA -0.0046 0.0014 0.0014 1257 GLU 26 C -0.0044 0.0019 0.0010 1258 GLU 26 O -0.0038 0.0019 0.0004 1259 GLU 26 CB -0.0046 0.0005 0.0018 1260 GLU 26 CG -0.0038 -0.0002 0.0014 1261 GLU 26 CD -0.0031 -0.0008 0.0010 1262 GLU 26 OE1 -0.0033 -0.0017 0.0016 1263 GLU 26 OE2 -0.0043 -0.0011 0.0022 1264 ALA 27 N -0.0049 0.0022 0.0013 1265 ALA 27 CA -0.0047 0.0025 0.0010 1266 ALA 27 C -0.0045 0.0034 0.0005 1267 ALA 27 O -0.0041 0.0037 -0.0000 1268 ALA 27 CB -0.0053 0.0027 0.0014 1269 LEU 28 N 0.0007 0.0033 0.0057 1270 LEU 28 CA 0.0010 0.0041 0.0053 1271 LEU 28 C 0.0010 0.0041 0.0041 1272 LEU 28 O 0.0009 0.0041 0.0035 1273 LEU 28 CB 0.0014 0.0052 0.0060 1274 LEU 28 CG 0.0016 0.0059 0.0058 1275 LEU 28 CD1 0.0015 0.0054 0.0066 1276 LEU 28 CD2 0.0020 0.0069 0.0062 1277 GLY 29 N 0.0010 0.0043 0.0033 1278 GLY 29 CA 0.0009 0.0043 0.0021 1279 GLY 29 C 0.0005 0.0032 0.0015 1280 GLY 29 O 0.0005 0.0033 0.0007 1281 ARG 30 N 0.0002 0.0022 0.0019 1282 ARG 30 CA -0.0002 0.0012 0.0013 1283 ARG 30 C -0.0002 0.0010 0.0018 1284 ARG 30 O -0.0004 0.0006 0.0010 1285 ARG 30 CB -0.0005 0.0001 0.0018 1286 ARG 30 CG -0.0007 -0.0002 0.0010 1287 ARG 30 CD -0.0010 -0.0012 0.0016 1288 ARG 30 NE -0.0011 -0.0013 0.0011 1289 ARG 30 CZ -0.0013 -0.0019 0.0003 1290 ARG 30 NH1 -0.0016 -0.0027 -0.0003 1291 ARG 30 NH2 -0.0014 -0.0020 -0.0003 1292 LEU 31 N 0.0019 0.0035 -0.0037 1293 LEU 31 CA 0.0018 0.0031 -0.0040 1294 LEU 31 C 0.0013 0.0029 -0.0039 1295 LEU 31 O 0.0011 0.0027 -0.0040 1296 LEU 31 CB 0.0020 0.0028 -0.0044 1297 LEU 31 CG 0.0019 0.0023 -0.0047 1298 LEU 31 CD1 0.0023 0.0024 -0.0049 1299 LEU 31 CD2 0.0020 0.0020 -0.0050 1300 LEU 32 N 0.0009 0.0029 -0.0037 1301 LEU 32 CA 0.0004 0.0026 -0.0037 1302 LEU 32 C 0.0002 0.0028 -0.0033 1303 LEU 32 O -0.0002 0.0027 -0.0033 1304 LEU 32 CB 0.0001 0.0026 -0.0035 1305 LEU 32 CG 0.0002 0.0023 -0.0039 1306 LEU 32 CD1 0.0005 0.0020 -0.0042 1307 LEU 32 CD2 -0.0001 0.0023 -0.0037 1308 VAL 33 N 0.0004 0.0033 -0.0031 1309 VAL 33 CA 0.0002 0.0035 -0.0028 1310 VAL 33 C 0.0004 0.0034 -0.0029 1311 VAL 33 O 0.0001 0.0034 -0.0028 1312 VAL 33 CB 0.0003 0.0040 -0.0024 1313 VAL 33 CG1 0.0002 0.0043 -0.0021 1314 VAL 33 CG2 0.0000 0.0040 -0.0022 1315 VAL 34 N -0.0033 -0.0005 -0.0081 1316 VAL 34 CA -0.0030 -0.0009 -0.0083 1317 VAL 34 C -0.0032 -0.0021 -0.0091 1318 VAL 34 O -0.0036 -0.0023 -0.0092 1319 VAL 34 CB -0.0017 -0.0006 -0.0083 1320 VAL 34 CG1 -0.0013 -0.0010 -0.0086 1321 VAL 34 CG2 -0.0015 0.0004 -0.0077 1322 TYR 35 N -0.0032 -0.0026 -0.0094 1323 TYR 35 CA -0.0034 -0.0037 -0.0101 1324 TYR 35 C -0.0044 -0.0039 -0.0101 1325 TYR 35 O -0.0040 -0.0042 -0.0104 1326 TYR 35 CB -0.0023 -0.0042 -0.0105 1327 TYR 35 CG -0.0013 -0.0038 -0.0104 1328 TYR 35 CD1 -0.0013 -0.0041 -0.0106 1329 TYR 35 CD2 -0.0003 -0.0033 -0.0102 1330 TYR 35 CE1 -0.0003 -0.0038 -0.0105 1331 TYR 35 CE2 0.0004 -0.0029 -0.0100 1332 TYR 35 CZ 0.0006 -0.0032 -0.0102 1333 TYR 35 OH 0.0014 -0.0027 -0.0100 1334 PRO 36 N -0.0054 -0.0038 -0.0099 1335 PRO 36 CA -0.0063 -0.0038 -0.0098 1336 PRO 36 C -0.0066 -0.0048 -0.0105 1337 PRO 36 O -0.0071 -0.0049 -0.0104 1338 PRO 36 CB -0.0075 -0.0035 -0.0095 1339 PRO 36 CG -0.0073 -0.0034 -0.0094 1340 PRO 36 CD -0.0060 -0.0035 -0.0097 1341 TRP 37 N -0.0058 -0.0056 -0.0084 1342 TRP 37 CA -0.0049 -0.0067 -0.0075 1343 TRP 37 C -0.0028 -0.0066 -0.0072 1344 TRP 37 O -0.0017 -0.0072 -0.0066 1345 TRP 37 CB -0.0059 -0.0084 -0.0067 1346 TRP 37 CG -0.0059 -0.0088 -0.0064 1347 TRP 37 CD1 -0.0047 -0.0097 -0.0056 1348 TRP 37 CD2 -0.0074 -0.0085 -0.0069 1349 TRP 37 NE1 -0.0054 -0.0096 -0.0057 1350 TRP 37 CE2 -0.0069 -0.0091 -0.0064 1351 TRP 37 CE3 -0.0091 -0.0076 -0.0078 1352 TRP 37 CZ2 -0.0079 -0.0090 -0.0066 1353 TRP 37 CZ3 -0.0100 -0.0077 -0.0079 1354 TRP 37 CH2 -0.0095 -0.0083 -0.0074 1355 THR 38 N -0.0020 -0.0057 -0.0077 1356 THR 38 CA -0.0001 -0.0053 -0.0075 1357 THR 38 C 0.0009 -0.0044 -0.0079 1358 THR 38 O 0.0026 -0.0041 -0.0078 1359 THR 38 CB 0.0005 -0.0045 -0.0079 1360 THR 38 OG1 -0.0005 -0.0032 -0.0090 1361 THR 38 CG2 -0.0006 -0.0056 -0.0074 1362 GLN 39 N -0.0002 -0.0036 -0.0086 1363 GLN 39 CA 0.0003 -0.0026 -0.0092 1364 GLN 39 C 0.0013 -0.0035 -0.0084 1365 GLN 39 O 0.0023 -0.0028 -0.0087 1366 GLN 39 CB -0.0011 -0.0016 -0.0101 1367 GLN 39 CG -0.0018 -0.0005 -0.0110 1368 GLN 39 CD -0.0034 0.0004 -0.0120 1369 GLN 39 OE1 -0.0035 0.0003 -0.0119 1370 GLN 39 NE2 -0.0044 0.0012 -0.0126 1371 ARG 40 N 0.0032 -0.0061 -0.0064 1372 ARG 40 CA 0.0035 -0.0060 -0.0060 1373 ARG 40 C 0.0051 -0.0047 -0.0044 1374 ARG 40 O 0.0052 -0.0038 -0.0047 1375 ARG 40 CB 0.0033 -0.0081 -0.0055 1376 ARG 40 CG 0.0042 -0.0090 -0.0038 1377 ARG 40 CD 0.0037 -0.0114 -0.0035 1378 ARG 40 NE 0.0034 -0.0117 -0.0038 1379 ARG 40 CZ 0.0043 -0.0114 -0.0027 1380 ARG 40 NH1 0.0053 -0.0114 -0.0014 1381 ARG 40 NH2 0.0033 -0.0121 -0.0037 1382 PHE 41 N 0.0060 -0.0044 -0.0034 1383 PHE 41 CA 0.0074 -0.0036 -0.0019 1384 PHE 41 C 0.0078 -0.0010 -0.0025 1385 PHE 41 O 0.0088 -0.0004 -0.0014 1386 PHE 41 CB 0.0081 -0.0045 -0.0006 1387 PHE 41 CG 0.0079 -0.0066 -0.0000 1388 PHE 41 CD1 0.0070 -0.0081 -0.0006 1389 PHE 41 CD2 0.0085 -0.0072 0.0010 1390 PHE 41 CE1 0.0068 -0.0101 0.0001 1391 PHE 41 CE2 0.0080 -0.0094 0.0013 1392 PHE 41 CZ 0.0072 -0.0107 0.0008 1393 PHE 42 N 0.0069 -0.0007 -0.0038 1394 PHE 42 CA 0.0071 0.0010 -0.0042 1395 PHE 42 C 0.0065 0.0025 -0.0057 1396 PHE 42 O 0.0063 0.0039 -0.0064 1397 PHE 42 CB 0.0069 0.0007 -0.0044 1398 PHE 42 CG 0.0077 -0.0003 -0.0028 1399 PHE 42 CD1 0.0070 -0.0026 -0.0028 1400 PHE 42 CD2 0.0091 0.0001 -0.0013 1401 PHE 42 CE1 0.0080 -0.0034 -0.0012 1402 PHE 42 CE2 0.0098 -0.0010 0.0001 1403 PHE 42 CZ 0.0092 -0.0031 0.0002 1404 GLU 43 N 0.0080 0.0010 -0.0041 1405 GLU 43 CA 0.0061 0.0018 -0.0040 1406 GLU 43 C 0.0030 0.0032 -0.0031 1407 GLU 43 O 0.0017 0.0040 -0.0013 1408 GLU 43 CB 0.0058 0.0014 -0.0067 1409 GLU 43 CG 0.0039 0.0018 -0.0092 1410 GLU 43 CD 0.0041 0.0009 -0.0137 1411 GLU 43 OE1 0.0047 0.0008 -0.0130 1412 GLU 43 OE2 0.0025 0.0015 -0.0142 1413 SER 44 N 0.0029 0.0034 -0.0021 1414 SER 44 CA 0.0006 0.0047 0.0000 1415 SER 44 C 0.0009 0.0050 0.0023 1416 SER 44 O 0.0001 0.0058 0.0050 1417 SER 44 CB 0.0006 0.0047 0.0001 1418 SER 44 OG 0.0015 0.0045 0.0011 1419 PHE 45 N 0.0037 0.0041 0.0040 1420 PHE 45 CA 0.0049 0.0042 0.0069 1421 PHE 45 C 0.0041 0.0046 0.0074 1422 PHE 45 O 0.0050 0.0047 0.0100 1423 PHE 45 CB 0.0081 0.0029 0.0069 1424 PHE 45 CG 0.0091 0.0026 0.0075 1425 PHE 45 CD1 0.0118 0.0016 0.0083 1426 PHE 45 CD2 0.0084 0.0027 0.0067 1427 PHE 45 CE1 0.0127 0.0013 0.0085 1428 PHE 45 CE2 0.0085 0.0027 0.0067 1429 PHE 45 CZ 0.0113 0.0017 0.0078 1430 GLY 46 N -0.0034 0.0006 0.0064 1431 GLY 46 CA -0.0044 0.0011 0.0081 1432 GLY 46 C -0.0034 0.0020 0.0090 1433 GLY 46 O -0.0027 0.0015 0.0076 1434 ASP 47 N -0.0033 0.0028 0.0105 1435 ASP 47 CA -0.0029 0.0034 0.0114 1436 ASP 47 C -0.0003 0.0044 0.0114 1437 ASP 47 O 0.0007 0.0049 0.0116 1438 ASP 47 CB -0.0033 0.0044 0.0136 1439 ASP 47 CG -0.0036 0.0048 0.0146 1440 ASP 47 OD1 -0.0033 0.0058 0.0164 1441 ASP 47 OD2 -0.0026 0.0046 0.0136 1442 LEU 48 N -0.0000 0.0038 0.0099 1443 LEU 48 CA 0.0022 0.0043 0.0092 1444 LEU 48 C 0.0024 0.0048 0.0101 1445 LEU 48 O 0.0037 0.0049 0.0093 1446 LEU 48 CB 0.0027 0.0035 0.0073 1447 LEU 48 CG 0.0029 0.0033 0.0067 1448 LEU 48 CD1 0.0034 0.0023 0.0044 1449 LEU 48 CD2 0.0040 0.0040 0.0073 1450 SER 49 N 0.0062 0.0037 0.0140 1451 SER 49 CA 0.0098 0.0060 0.0157 1452 SER 49 C 0.0106 0.0038 0.0165 1453 SER 49 O 0.0136 0.0073 0.0175 1454 SER 49 CB 0.0120 0.0028 0.0174 1455 SER 49 OG 0.0110 -0.0013 0.0176 1456 THR 50 N 0.0096 0.0031 0.0161 1457 THR 50 CA 0.0099 0.0030 0.0162 1458 THR 50 C 0.0070 0.0031 0.0146 1459 THR 50 O 0.0042 0.0021 0.0132 1460 THR 50 CB 0.0114 0.0001 0.0176 1461 THR 50 OG1 0.0099 -0.0035 0.0174 1462 THR 50 CG2 0.0152 -0.0012 0.0200 1463 PRO 51 N 0.0077 0.0034 0.0149 1464 PRO 51 CA 0.0049 0.0039 0.0132 1465 PRO 51 C 0.0028 0.0004 0.0127 1466 PRO 51 O -0.0006 -0.0004 0.0110 1467 PRO 51 CB 0.0062 0.0048 0.0138 1468 PRO 51 CG 0.0093 0.0073 0.0151 1469 PRO 51 CD 0.0108 0.0056 0.0163 1470 ASP 52 N 0.0084 0.0029 0.0188 1471 ASP 52 CA 0.0066 0.0011 0.0204 1472 ASP 52 C 0.0036 0.0001 0.0189 1473 ASP 52 O 0.0016 -0.0008 0.0186 1474 ASP 52 CB 0.0071 -0.0000 0.0235 1475 ASP 52 CG 0.0095 0.0003 0.0255 1476 ASP 52 OD1 0.0103 0.0014 0.0243 1477 ASP 52 OD2 0.0115 0.0008 0.0269 1478 ALA 53 N 0.0029 0.0002 0.0180 1479 ALA 53 CA -0.0000 -0.0008 0.0166 1480 ALA 53 C -0.0013 -0.0003 0.0139 1481 ALA 53 O -0.0034 -0.0008 0.0126 1482 ALA 53 CB -0.0003 -0.0007 0.0160 1483 VAL 54 N 0.0008 0.0018 0.0121 1484 VAL 54 CA 0.0004 0.0028 0.0094 1485 VAL 54 C 0.0000 0.0024 0.0099 1486 VAL 54 O -0.0021 0.0018 0.0084 1487 VAL 54 CB 0.0029 0.0051 0.0076 1488 VAL 54 CG1 0.0024 0.0059 0.0052 1489 VAL 54 CG2 0.0035 0.0056 0.0071 1490 MET 55 N 0.0022 0.0035 0.0089 1491 MET 55 CA 0.0016 0.0034 0.0082 1492 MET 55 C 0.0028 0.0034 0.0072 1493 MET 55 O 0.0024 0.0033 0.0069 1494 MET 55 CB 0.0001 0.0032 0.0071 1495 MET 55 CG -0.0012 0.0031 0.0080 1496 MET 55 SD -0.0019 0.0032 0.0096 1497 MET 55 CE -0.0027 0.0031 0.0088 1498 GLY 56 N 0.0038 0.0034 0.0066 1499 GLY 56 CA 0.0050 0.0034 0.0056 1500 GLY 56 C 0.0066 0.0036 0.0065 1501 GLY 56 O 0.0076 0.0036 0.0060 1502 ASN 57 N 0.0067 0.0037 0.0080 1503 ASN 57 CA 0.0080 0.0039 0.0088 1504 ASN 57 C 0.0082 0.0039 0.0090 1505 ASN 57 O 0.0072 0.0039 0.0096 1506 ASN 57 CB 0.0079 0.0040 0.0104 1507 ASN 57 CG 0.0093 0.0042 0.0114 1508 ASN 57 OD1 0.0098 0.0043 0.0117 1509 ASN 57 ND2 0.0099 0.0043 0.0119 1510 PRO 58 N 0.0117 0.0047 0.0049 1511 PRO 58 CA 0.0120 0.0051 0.0063 1512 PRO 58 C 0.0119 0.0052 0.0082 1513 PRO 58 O 0.0116 0.0050 0.0094 1514 PRO 58 CB 0.0132 0.0064 0.0054 1515 PRO 58 CG 0.0134 0.0065 0.0042 1516 PRO 58 CD 0.0129 0.0059 0.0031 1517 LYS 59 N 0.0123 0.0057 0.0083 1518 LYS 59 CA 0.0123 0.0061 0.0102 1519 LYS 59 C 0.0111 0.0046 0.0110 1520 LYS 59 O 0.0107 0.0044 0.0126 1521 LYS 59 CB 0.0131 0.0069 0.0101 1522 LYS 59 CG 0.0144 0.0085 0.0103 1523 LYS 59 CD 0.0148 0.0089 0.0092 1524 LYS 59 CE 0.0166 0.0111 0.0100 1525 LYS 59 NZ 0.0170 0.0114 0.0088 1526 VAL 60 N 0.0105 0.0038 0.0097 1527 VAL 60 CA 0.0092 0.0023 0.0102 1528 VAL 60 C 0.0087 0.0018 0.0110 1529 VAL 60 O 0.0079 0.0010 0.0124 1530 VAL 60 CB 0.0085 0.0014 0.0089 1531 VAL 60 CG1 0.0072 -0.0001 0.0092 1532 VAL 60 CG2 0.0091 0.0020 0.0084 1533 LYS 61 N 0.0069 0.0015 0.0081 1534 LYS 61 CA 0.0063 0.0019 0.0060 1535 LYS 61 C 0.0082 0.0015 0.0060 1536 LYS 61 O 0.0072 0.0016 0.0064 1537 LYS 61 CB 0.0073 0.0021 0.0030 1538 LYS 61 CG 0.0056 0.0026 0.0022 1539 LYS 61 CD 0.0072 0.0028 -0.0011 1540 LYS 61 CE 0.0039 0.0037 -0.0024 1541 LYS 61 NZ 0.0056 0.0038 -0.0051 1542 ALA 62 N 0.0108 0.0008 0.0069 1543 ALA 62 CA 0.0125 0.0003 0.0073 1544 ALA 62 C 0.0113 0.0002 0.0101 1545 ALA 62 O 0.0116 0.0001 0.0101 1546 ALA 62 CB 0.0155 -0.0005 0.0079 1547 HIS 63 N 0.0110 -0.0001 0.0123 1548 HIS 63 CA 0.0097 -0.0002 0.0148 1549 HIS 63 C 0.0067 0.0006 0.0142 1550 HIS 63 O 0.0065 0.0005 0.0149 1551 HIS 63 CB 0.0095 -0.0005 0.0172 1552 HIS 63 CG 0.0091 -0.0009 0.0201 1553 HIS 63 ND1 0.0110 -0.0014 0.0208 1554 HIS 63 CD2 0.0066 -0.0006 0.0219 1555 HIS 63 CE1 0.0095 -0.0015 0.0237 1556 HIS 63 NE2 0.0073 -0.0011 0.0241 1557 GLY 64 N -0.0021 -0.0001 0.0136 1558 GLY 64 CA -0.0054 0.0031 0.0119 1559 GLY 64 C -0.0059 0.0037 0.0080 1560 GLY 64 O -0.0074 0.0051 0.0066 1561 LYS 65 N -0.0035 0.0015 0.0051 1562 LYS 65 CA -0.0030 0.0011 0.0015 1563 LYS 65 C -0.0022 0.0004 0.0014 1564 LYS 65 O -0.0032 0.0013 -0.0011 1565 LYS 65 CB -0.0004 -0.0013 -0.0024 1566 LYS 65 CG 0.0008 -0.0024 -0.0019 1567 LYS 65 CD 0.0039 -0.0052 -0.0075 1568 LYS 65 CE 0.0045 -0.0057 -0.0076 1569 LYS 65 NZ 0.0098 -0.0105 -0.0104 1570 LYS 66 N -0.0003 -0.0015 0.0044 1571 LYS 66 CA 0.0005 -0.0022 0.0045 1572 LYS 66 C -0.0023 0.0003 0.0069 1573 LYS 66 O -0.0027 0.0007 0.0055 1574 LYS 66 CB 0.0034 -0.0050 0.0080 1575 LYS 66 CG 0.0046 -0.0062 0.0093 1576 LYS 66 CD 0.0077 -0.0091 0.0121 1577 LYS 66 CE 0.0102 -0.0113 0.0068 1578 LYS 66 NZ 0.0131 -0.0141 0.0107 1579 VAL 67 N -0.0010 -0.0013 0.0058 1580 VAL 67 CA -0.0040 0.0013 0.0073 1581 VAL 67 C -0.0067 0.0025 0.0048 1582 VAL 67 O -0.0085 0.0037 0.0044 1583 VAL 67 CB -0.0038 0.0022 0.0107 1584 VAL 67 CG1 -0.0068 0.0048 0.0117 1585 VAL 67 CG2 -0.0010 0.0010 0.0132 1586 LEU 68 N -0.0072 0.0022 0.0027 1587 LEU 68 CA -0.0100 0.0034 0.0001 1588 LEU 68 C -0.0104 0.0028 -0.0027 1589 LEU 68 O -0.0130 0.0042 -0.0045 1590 LEU 68 CB -0.0107 0.0035 -0.0012 1591 LEU 68 CG -0.0136 0.0057 -0.0009 1592 LEU 68 CD1 -0.0145 0.0052 -0.0047 1593 LEU 68 CD2 -0.0147 0.0074 0.0019 1594 GLY 69 N -0.0080 0.0007 -0.0039 1595 GLY 69 CA -0.0081 0.0001 -0.0062 1596 GLY 69 C -0.0092 0.0011 -0.0053 1597 GLY 69 O -0.0110 0.0020 -0.0067 1598 ALA 70 N 0.0009 -0.0041 -0.0065 1599 ALA 70 CA 0.0006 -0.0034 -0.0064 1600 ALA 70 C -0.0004 -0.0018 -0.0064 1601 ALA 70 O -0.0010 -0.0011 -0.0071 1602 ALA 70 CB 0.0010 -0.0037 -0.0050 1603 PHE 71 N -0.0006 -0.0012 -0.0055 1604 PHE 71 CA -0.0015 0.0003 -0.0056 1605 PHE 71 C -0.0021 0.0005 -0.0074 1606 PHE 71 O -0.0027 0.0014 -0.0078 1607 PHE 71 CB -0.0014 0.0006 -0.0045 1608 PHE 71 CG -0.0023 0.0021 -0.0045 1609 PHE 71 CD1 -0.0025 0.0030 -0.0034 1610 PHE 71 CD2 -0.0029 0.0026 -0.0055 1611 PHE 71 CE1 -0.0034 0.0045 -0.0031 1612 PHE 71 CE2 -0.0036 0.0040 -0.0053 1613 PHE 71 CZ -0.0039 0.0050 -0.0041 1614 SER 72 N -0.0018 -0.0002 -0.0081 1615 SER 72 CA -0.0023 -0.0002 -0.0098 1616 SER 72 C -0.0026 -0.0001 -0.0107 1617 SER 72 O -0.0033 0.0008 -0.0117 1618 SER 72 CB -0.0018 -0.0012 -0.0102 1619 SER 72 OG -0.0022 -0.0011 -0.0116 1620 ASP 73 N 0.0053 -0.0036 -0.0150 1621 ASP 73 CA 0.0060 -0.0039 -0.0149 1622 ASP 73 C 0.0045 -0.0032 -0.0131 1623 ASP 73 O 0.0035 -0.0028 -0.0131 1624 ASP 73 CB 0.0094 -0.0054 -0.0141 1625 ASP 73 CG 0.0113 -0.0062 -0.0172 1626 ASP 73 OD1 0.0103 -0.0058 -0.0200 1627 ASP 73 OD2 0.0133 -0.0071 -0.0165 1628 GLY 74 N 0.0034 -0.0028 -0.0103 1629 GLY 74 CA 0.0015 -0.0019 -0.0086 1630 GLY 74 C -0.0010 -0.0008 -0.0092 1631 GLY 74 O -0.0031 0.0001 -0.0087 1632 LEU 75 N -0.0023 -0.0002 -0.0122 1633 LEU 75 CA -0.0049 0.0010 -0.0133 1634 LEU 75 C -0.0049 0.0010 -0.0151 1635 LEU 75 O -0.0071 0.0020 -0.0157 1636 LEU 75 CB -0.0057 0.0014 -0.0158 1637 LEU 75 CG -0.0056 0.0013 -0.0146 1638 LEU 75 CD1 -0.0064 0.0017 -0.0167 1639 LEU 75 CD2 -0.0076 0.0022 -0.0120 1640 ALA 76 N -0.0017 -0.0041 -0.0155 1641 ALA 76 CA -0.0025 -0.0041 -0.0161 1642 ALA 76 C -0.0031 -0.0035 -0.0133 1643 ALA 76 O -0.0042 -0.0033 -0.0134 1644 ALA 76 CB 0.0009 -0.0050 -0.0176 1645 HIS 77 N -0.0029 -0.0029 -0.0093 1646 HIS 77 CA -0.0030 -0.0024 -0.0059 1647 HIS 77 C -0.0058 -0.0015 -0.0039 1648 HIS 77 O -0.0053 -0.0011 -0.0006 1649 HIS 77 CB 0.0003 -0.0028 -0.0042 1650 HIS 77 CG 0.0033 -0.0038 -0.0067 1651 HIS 77 ND1 0.0060 -0.0047 -0.0092 1652 HIS 77 CD2 0.0021 -0.0036 -0.0069 1653 HIS 77 CE1 0.0068 -0.0050 -0.0100 1654 HIS 77 NE2 0.0052 -0.0046 -0.0092 1655 LEU 78 N -0.0087 -0.0012 -0.0053 1656 LEU 78 CA -0.0109 -0.0004 -0.0035 1657 LEU 78 C -0.0134 0.0005 -0.0008 1658 LEU 78 O -0.0134 0.0009 0.0020 1659 LEU 78 CB -0.0145 -0.0001 -0.0059 1660 LEU 78 CG -0.0130 -0.0007 -0.0078 1661 LEU 78 CD1 -0.0153 -0.0008 -0.0115 1662 LEU 78 CD2 -0.0114 -0.0007 -0.0061 1663 ASP 79 N -0.0184 -0.0020 0.0010 1664 ASP 79 CA -0.0216 -0.0009 0.0054 1665 ASP 79 C -0.0173 0.0003 0.0096 1666 ASP 79 O -0.0173 0.0011 0.0127 1667 ASP 79 CB -0.0207 -0.0013 0.0037 1668 ASP 79 CG -0.0238 -0.0021 0.0006 1669 ASP 79 OD1 -0.0244 -0.0026 -0.0011 1670 ASP 79 OD2 -0.0295 -0.0021 0.0008 1671 ASN 80 N -0.0120 -0.0000 0.0083 1672 ASN 80 CA -0.0072 0.0011 0.0125 1673 ASN 80 C -0.0034 0.0006 0.0105 1674 ASN 80 O 0.0005 0.0007 0.0106 1675 ASN 80 CB -0.0056 0.0010 0.0121 1676 ASN 80 CG -0.0016 0.0023 0.0169 1677 ASN 80 OD1 -0.0019 0.0031 0.0201 1678 ASN 80 ND2 0.0022 0.0015 0.0139 1679 LEU 81 N -0.0051 0.0007 0.0108 1680 LEU 81 CA 0.0000 0.0006 0.0104 1681 LEU 81 C 0.0035 0.0015 0.0139 1682 LEU 81 O 0.0077 0.0016 0.0139 1683 LEU 81 CB -0.0031 0.0002 0.0090 1684 LEU 81 CG -0.0063 -0.0009 0.0047 1685 LEU 81 CD1 -0.0094 -0.0010 0.0046 1686 LEU 81 CD2 -0.0032 -0.0022 -0.0001 1687 LYS 82 N -0.0008 -0.0026 0.0150 1688 LYS 82 CA 0.0014 -0.0023 0.0170 1689 LYS 82 C 0.0038 -0.0019 0.0173 1690 LYS 82 O 0.0063 -0.0014 0.0176 1691 LYS 82 CB -0.0007 -0.0027 0.0197 1692 LYS 82 CG -0.0023 -0.0030 0.0204 1693 LYS 82 CD -0.0042 -0.0034 0.0238 1694 LYS 82 CE -0.0030 -0.0032 0.0247 1695 LYS 82 NZ -0.0045 -0.0036 0.0294 1696 GLY 83 N 0.0039 -0.0019 0.0171 1697 GLY 83 CA 0.0071 -0.0013 0.0172 1698 GLY 83 C 0.0087 -0.0010 0.0146 1699 GLY 83 O 0.0116 -0.0005 0.0149 1700 THR 84 N 0.0072 -0.0012 0.0119 1701 THR 84 CA 0.0085 -0.0009 0.0089 1702 THR 84 C 0.0107 -0.0005 0.0091 1703 THR 84 O 0.0127 -0.0001 0.0079 1704 THR 84 CB 0.0067 -0.0011 0.0060 1705 THR 84 OG1 0.0055 -0.0013 0.0062 1706 THR 84 CG2 0.0082 -0.0008 0.0036 1707 PHE 85 N -0.0004 -0.0006 0.0024 1708 PHE 85 CA 0.0001 -0.0008 0.0032 1709 PHE 85 C -0.0005 -0.0005 0.0022 1710 PHE 85 O 0.0000 -0.0005 0.0028 1711 PHE 85 CB 0.0018 -0.0004 0.0044 1712 PHE 85 CG 0.0021 -0.0010 0.0056 1713 PHE 85 CD1 0.0029 -0.0005 0.0058 1714 PHE 85 CD2 0.0015 -0.0023 0.0067 1715 PHE 85 CE1 0.0031 -0.0014 0.0071 1716 PHE 85 CE2 0.0020 -0.0029 0.0079 1717 PHE 85 CZ 0.0027 -0.0026 0.0082 1718 ALA 86 N -0.0012 0.0000 0.0008 1719 ALA 86 CA -0.0017 0.0005 -0.0003 1720 ALA 86 C -0.0024 -0.0004 0.0001 1721 ALA 86 O -0.0020 -0.0002 0.0002 1722 ALA 86 CB -0.0026 0.0011 -0.0020 1723 THR 87 N -0.0036 -0.0016 0.0004 1724 THR 87 CA -0.0043 -0.0024 0.0008 1725 THR 87 C -0.0034 -0.0030 0.0025 1726 THR 87 O -0.0034 -0.0031 0.0026 1727 THR 87 CB -0.0059 -0.0042 0.0014 1728 THR 87 OG1 -0.0067 -0.0038 -0.0000 1729 THR 87 CG2 -0.0071 -0.0047 0.0008 1730 LEU 88 N -0.0028 -0.0052 -0.0013 1731 LEU 88 CA -0.0016 -0.0055 0.0010 1732 LEU 88 C 0.0001 -0.0039 0.0009 1733 LEU 88 O 0.0006 -0.0043 0.0025 1734 LEU 88 CB -0.0005 -0.0057 0.0030 1735 LEU 88 CG -0.0021 -0.0077 0.0039 1736 LEU 88 CD1 -0.0005 -0.0074 0.0058 1737 LEU 88 CD2 -0.0025 -0.0093 0.0057 1738 SER 89 N 0.0010 -0.0019 -0.0009 1739 SER 89 CA 0.0026 -0.0002 -0.0012 1740 SER 89 C 0.0016 -0.0008 -0.0018 1741 SER 89 O 0.0023 -0.0008 -0.0006 1742 SER 89 CB 0.0033 0.0017 -0.0033 1743 SER 89 OG 0.0049 0.0034 -0.0036 1744 GLU 90 N -0.0004 -0.0013 -0.0039 1745 GLU 90 CA -0.0017 -0.0024 -0.0043 1746 GLU 90 C -0.0024 -0.0040 -0.0027 1747 GLU 90 O -0.0019 -0.0039 -0.0021 1748 GLU 90 CB -0.0041 -0.0029 -0.0073 1749 GLU 90 CG -0.0031 -0.0010 -0.0088 1750 GLU 90 CD -0.0056 -0.0012 -0.0124 1751 GLU 90 OE1 -0.0064 -0.0020 -0.0123 1752 GLU 90 OE2 -0.0062 -0.0016 -0.0127 1753 LEU 91 N 0.0020 -0.0060 -0.0042 1754 LEU 91 CA 0.0024 -0.0075 -0.0027 1755 LEU 91 C 0.0029 -0.0068 -0.0006 1756 LEU 91 O 0.0033 -0.0077 0.0010 1757 LEU 91 CB 0.0022 -0.0084 -0.0040 1758 LEU 91 CG 0.0026 -0.0099 -0.0025 1759 LEU 91 CD1 0.0027 -0.0121 -0.0028 1760 LEU 91 CD2 0.0026 -0.0104 -0.0027 1761 HIS 92 N 0.0028 -0.0049 -0.0006 1762 HIS 92 CA 0.0032 -0.0044 0.0015 1763 HIS 92 C 0.0035 -0.0034 0.0029 1764 HIS 92 O 0.0039 -0.0036 0.0048 1765 HIS 92 CB 0.0031 -0.0023 0.0013 1766 HIS 92 CG 0.0031 -0.0031 0.0011 1767 HIS 92 ND1 0.0026 -0.0035 -0.0010 1768 HIS 92 CD2 0.0033 -0.0031 0.0023 1769 HIS 92 CE1 0.0028 -0.0042 -0.0005 1770 HIS 92 NE2 0.0031 -0.0037 0.0013 1771 CYS 93 N 0.0032 -0.0027 0.0018 1772 CYS 93 CA 0.0034 -0.0022 0.0029 1773 CYS 93 C 0.0037 -0.0044 0.0035 1774 CYS 93 O 0.0041 -0.0045 0.0051 1775 CYS 93 CB 0.0030 -0.0008 0.0015 1776 CYS 93 SG 0.0032 -0.0001 0.0026 1777 ASP 94 N 0.0018 -0.0053 0.0018 1778 ASP 94 CA 0.0037 -0.0095 0.0042 1779 ASP 94 C 0.0052 -0.0127 0.0047 1780 ASP 94 O 0.0067 -0.0162 0.0085 1781 ASP 94 CB 0.0050 -0.0117 0.0003 1782 ASP 94 CG 0.0039 -0.0092 -0.0012 1783 ASP 94 OD1 0.0027 -0.0071 0.0022 1784 ASP 94 OD2 0.0046 -0.0101 -0.0047 1785 LYS 95 N 0.0057 -0.0133 0.0023 1786 LYS 95 CA 0.0071 -0.0164 0.0040 1787 LYS 95 C 0.0065 -0.0155 0.0058 1788 LYS 95 O 0.0071 -0.0172 0.0090 1789 LYS 95 CB 0.0086 -0.0188 -0.0018 1790 LYS 95 CG 0.0099 -0.0212 -0.0044 1791 LYS 95 CD 0.0115 -0.0250 0.0001 1792 LYS 95 CE 0.0131 -0.0280 -0.0029 1793 LYS 95 NZ 0.0145 -0.0312 0.0003 1794 LEU 96 N 0.0044 -0.0109 0.0042 1795 LEU 96 CA 0.0034 -0.0092 0.0066 1796 LEU 96 C 0.0018 -0.0064 0.0115 1797 LEU 96 O 0.0014 -0.0060 0.0140 1798 LEU 96 CB 0.0027 -0.0072 0.0024 1799 LEU 96 CG 0.0041 -0.0093 -0.0033 1800 LEU 96 CD1 0.0027 -0.0058 -0.0068 1801 LEU 96 CD2 0.0060 -0.0136 -0.0011 1802 HIS 97 N 0.0012 -0.0054 0.0031 1803 HIS 97 CA 0.0004 -0.0054 0.0039 1804 HIS 97 C -0.0003 -0.0041 0.0041 1805 HIS 97 O -0.0011 -0.0039 0.0049 1806 HIS 97 CB -0.0002 -0.0063 0.0048 1807 HIS 97 CG 0.0004 -0.0076 0.0046 1808 HIS 97 ND1 0.0010 -0.0082 0.0043 1809 HIS 97 CD2 0.0006 -0.0080 0.0046 1810 HIS 97 CE1 0.0015 -0.0091 0.0041 1811 HIS 97 NE2 0.0012 -0.0090 0.0043 1812 VAL 98 N 0.0002 -0.0032 0.0034 1813 VAL 98 CA -0.0004 -0.0020 0.0035 1814 VAL 98 C -0.0006 -0.0017 0.0036 1815 VAL 98 O 0.0000 -0.0016 0.0029 1816 VAL 98 CB 0.0001 -0.0011 0.0026 1817 VAL 98 CG1 -0.0004 0.0001 0.0027 1818 VAL 98 CG2 0.0003 -0.0013 0.0025 1819 ASP 99 N -0.0015 -0.0013 0.0044 1820 ASP 99 CA -0.0018 -0.0011 0.0046 1821 ASP 99 C -0.0014 0.0001 0.0038 1822 ASP 99 O -0.0016 0.0010 0.0037 1823 ASP 99 CB -0.0028 -0.0007 0.0054 1824 ASP 99 CG -0.0033 -0.0002 0.0057 1825 ASP 99 OD1 -0.0041 -0.0001 0.0066 1826 ASP 99 OD2 -0.0027 0.0000 0.0051 1827 PRO 100 N -0.0021 0.0001 0.0023 1828 PRO 100 CA -0.0032 0.0001 0.0013 1829 PRO 100 C -0.0053 -0.0001 0.0003 1830 PRO 100 O -0.0060 0.0001 -0.0011 1831 PRO 100 CB -0.0036 -0.0002 0.0029 1832 PRO 100 CG -0.0025 -0.0004 0.0048 1833 PRO 100 CD -0.0017 -0.0002 0.0046 1834 GLU 101 N -0.0059 -0.0002 0.0004 1835 GLU 101 CA -0.0078 -0.0002 -0.0008 1836 GLU 101 C -0.0074 0.0002 -0.0031 1837 GLU 101 O -0.0084 0.0003 -0.0045 1838 GLU 101 CB -0.0086 -0.0004 -0.0002 1839 GLU 101 CG -0.0104 -0.0005 -0.0014 1840 GLU 101 CD -0.0129 -0.0010 -0.0005 1841 GLU 101 OE1 -0.0123 -0.0011 0.0011 1842 GLU 101 OE2 -0.0135 -0.0008 -0.0022 1843 ASN 102 N -0.0051 0.0006 -0.0037 1844 ASN 102 CA -0.0046 0.0010 -0.0059 1845 ASN 102 C -0.0049 0.0011 -0.0067 1846 ASN 102 O -0.0054 0.0013 -0.0087 1847 ASN 102 CB -0.0022 0.0013 -0.0059 1848 ASN 102 CG -0.0019 0.0013 -0.0057 1849 ASN 102 OD1 -0.0022 0.0014 -0.0066 1850 ASN 102 ND2 -0.0007 0.0012 -0.0037 1851 PHE 103 N -0.0012 0.0024 -0.0035 1852 PHE 103 CA -0.0010 0.0023 -0.0031 1853 PHE 103 C -0.0028 0.0013 -0.0039 1854 PHE 103 O -0.0030 0.0014 -0.0046 1855 PHE 103 CB -0.0003 0.0020 -0.0013 1856 PHE 103 CG 0.0014 0.0030 -0.0004 1857 PHE 103 CD1 0.0024 0.0042 -0.0016 1858 PHE 103 CD2 0.0017 0.0024 0.0013 1859 PHE 103 CE1 0.0039 0.0050 -0.0009 1860 PHE 103 CE2 0.0033 0.0034 0.0019 1861 PHE 103 CZ 0.0043 0.0047 0.0007 1862 ARG 104 N -0.0040 0.0002 -0.0035 1863 ARG 104 CA -0.0056 -0.0008 -0.0039 1864 ARG 104 C -0.0063 -0.0005 -0.0059 1865 ARG 104 O -0.0072 -0.0007 -0.0069 1866 ARG 104 CB -0.0067 -0.0021 -0.0029 1867 ARG 104 CG -0.0063 -0.0027 -0.0010 1868 ARG 104 CD -0.0071 -0.0039 0.0005 1869 ARG 104 NE -0.0056 -0.0036 0.0024 1870 ARG 104 CZ -0.0077 -0.0056 0.0032 1871 ARG 104 NH1 -0.0087 -0.0060 0.0023 1872 ARG 104 NH2 -0.0076 -0.0065 0.0054 1873 LEU 105 N -0.0060 0.0002 -0.0068 1874 LEU 105 CA -0.0065 0.0007 -0.0088 1875 LEU 105 C -0.0056 0.0017 -0.0097 1876 LEU 105 O -0.0065 0.0016 -0.0110 1877 LEU 105 CB -0.0059 0.0014 -0.0094 1878 LEU 105 CG -0.0069 0.0004 -0.0090 1879 LEU 105 CD1 -0.0060 0.0013 -0.0095 1880 LEU 105 CD2 -0.0087 -0.0005 -0.0100 1881 LEU 106 N -0.0022 0.0034 -0.0055 1882 LEU 106 CA -0.0022 0.0040 -0.0046 1883 LEU 106 C -0.0016 0.0034 -0.0038 1884 LEU 106 O -0.0015 0.0035 -0.0034 1885 LEU 106 CB -0.0024 0.0049 -0.0041 1886 LEU 106 CG -0.0024 0.0057 -0.0033 1887 LEU 106 CD1 -0.0027 0.0061 -0.0036 1888 LEU 106 CD2 -0.0025 0.0063 -0.0028 1889 GLY 107 N -0.0012 0.0026 -0.0035 1890 GLY 107 CA -0.0006 0.0020 -0.0028 1891 GLY 107 C -0.0005 0.0014 -0.0032 1892 GLY 107 O -0.0002 0.0013 -0.0025 1893 ASN 108 N -0.0007 0.0010 -0.0042 1894 ASN 108 CA -0.0005 0.0004 -0.0044 1895 ASN 108 C -0.0009 0.0011 -0.0045 1896 ASN 108 O -0.0006 0.0008 -0.0042 1897 ASN 108 CB -0.0007 -0.0001 -0.0055 1898 ASN 108 CG -0.0002 -0.0012 -0.0054 1899 ASN 108 OD1 0.0003 -0.0015 -0.0044 1900 ASN 108 ND2 -0.0005 -0.0013 -0.0063 1901 VAL 109 N 0.0008 0.0010 -0.0059 1902 VAL 109 CA 0.0006 0.0008 -0.0050 1903 VAL 109 C 0.0003 0.0006 -0.0045 1904 VAL 109 O 0.0006 0.0005 -0.0036 1905 VAL 109 CB -0.0002 0.0008 -0.0051 1906 VAL 109 CG1 -0.0005 0.0005 -0.0042 1907 VAL 109 CG2 0.0001 0.0009 -0.0056 1908 LEU 110 N -0.0001 0.0007 -0.0048 1909 LEU 110 CA -0.0003 0.0006 -0.0043 1910 LEU 110 C 0.0005 0.0005 -0.0039 1911 LEU 110 O 0.0006 0.0003 -0.0031 1912 LEU 110 CB -0.0009 0.0007 -0.0048 1913 LEU 110 CG -0.0012 0.0005 -0.0043 1914 LEU 110 CD1 -0.0016 0.0003 -0.0035 1915 LEU 110 CD2 -0.0017 0.0006 -0.0047 1916 VAL 111 N 0.0012 0.0007 -0.0044 1917 VAL 111 CA 0.0021 0.0007 -0.0042 1918 VAL 111 C 0.0024 0.0005 -0.0034 1919 VAL 111 O 0.0028 0.0003 -0.0027 1920 VAL 111 CB 0.0027 0.0009 -0.0050 1921 VAL 111 CG1 0.0036 0.0008 -0.0046 1922 VAL 111 CG2 0.0023 0.0010 -0.0054 1923 CYS 112 N 0.0025 -0.0015 -0.0054 1924 CYS 112 CA 0.0027 -0.0014 -0.0045 1925 CYS 112 C 0.0022 -0.0017 -0.0038 1926 CYS 112 O 0.0026 -0.0014 -0.0031 1927 CYS 112 CB 0.0024 -0.0015 -0.0041 1928 CYS 112 SG 0.0031 -0.0011 -0.0048 1929 VAL 113 N 0.0015 -0.0021 -0.0041 1930 VAL 113 CA 0.0010 -0.0023 -0.0035 1931 VAL 113 C 0.0013 -0.0022 -0.0036 1932 VAL 113 O 0.0014 -0.0021 -0.0026 1933 VAL 113 CB 0.0001 -0.0029 -0.0038 1934 VAL 113 CG1 -0.0004 -0.0032 -0.0033 1935 VAL 113 CG2 -0.0004 -0.0032 -0.0035 1936 LEU 114 N 0.0017 -0.0020 -0.0043 1937 LEU 114 CA 0.0021 -0.0017 -0.0042 1938 LEU 114 C 0.0028 -0.0013 -0.0035 1939 LEU 114 O 0.0030 -0.0011 -0.0031 1940 LEU 114 CB 0.0022 -0.0017 -0.0052 1941 LEU 114 CG 0.0014 -0.0021 -0.0058 1942 LEU 114 CD1 0.0017 -0.0020 -0.0069 1943 LEU 114 CD2 0.0010 -0.0024 -0.0054 1944 ALA 115 N 0.0039 -0.0042 -0.0057 1945 ALA 115 CA 0.0053 -0.0045 -0.0051 1946 ALA 115 C 0.0049 -0.0045 -0.0038 1947 ALA 115 O 0.0057 -0.0047 -0.0027 1948 ALA 115 CB 0.0060 -0.0046 -0.0065 1949 HIS 116 N 0.0038 -0.0042 -0.0042 1950 HIS 116 CA 0.0035 -0.0042 -0.0030 1951 HIS 116 C 0.0030 -0.0042 -0.0017 1952 HIS 116 O 0.0033 -0.0043 -0.0004 1953 HIS 116 CB 0.0024 -0.0039 -0.0037 1954 HIS 116 CG 0.0020 -0.0039 -0.0029 1955 HIS 116 ND1 0.0004 -0.0036 -0.0024 1956 HIS 116 CD2 0.0027 -0.0041 -0.0023 1957 HIS 116 CE1 0.0006 -0.0036 -0.0017 1958 HIS 116 NE2 0.0019 -0.0039 -0.0014 1959 HIS 117 N 0.0020 -0.0039 -0.0017 1960 HIS 117 CA 0.0015 -0.0039 -0.0005 1961 HIS 117 C 0.0025 -0.0041 0.0005 1962 HIS 117 O 0.0024 -0.0042 0.0019 1963 HIS 117 CB 0.0002 -0.0036 -0.0008 1964 HIS 117 CG -0.0011 -0.0033 -0.0002 1965 HIS 117 ND1 -0.0014 -0.0032 -0.0015 1966 HIS 117 CD2 -0.0023 -0.0031 0.0011 1967 HIS 117 CE1 -0.0032 -0.0028 -0.0011 1968 HIS 117 NE2 -0.0038 -0.0027 -0.0004 1969 PHE 118 N 0.0072 -0.0034 -0.0049 1970 PHE 118 CA 0.0071 -0.0043 -0.0041 1971 PHE 118 C 0.0080 -0.0055 -0.0044 1972 PHE 118 O 0.0079 -0.0064 -0.0035 1973 PHE 118 CB 0.0065 -0.0038 -0.0037 1974 PHE 118 CG 0.0055 -0.0030 -0.0031 1975 PHE 118 CD1 0.0052 -0.0018 -0.0036 1976 PHE 118 CD2 0.0048 -0.0033 -0.0020 1977 PHE 118 CE1 0.0041 -0.0009 -0.0030 1978 PHE 118 CE2 0.0040 -0.0026 -0.0016 1979 PHE 118 CZ 0.0036 -0.0013 -0.0020 1980 GLY 119 N 0.0089 -0.0055 -0.0055 1981 GLY 119 CA 0.0098 -0.0067 -0.0057 1982 GLY 119 C 0.0098 -0.0072 -0.0054 1983 GLY 119 O 0.0094 -0.0065 -0.0054 1984 LYS 120 N 0.0100 -0.0082 -0.0048 1985 LYS 120 CA 0.0102 -0.0089 -0.0045 1986 LYS 120 C 0.0092 -0.0087 -0.0035 1987 LYS 120 O 0.0094 -0.0090 -0.0035 1988 LYS 120 CB 0.0106 -0.0105 -0.0038 1989 LYS 120 CG 0.0100 -0.0108 -0.0028 1990 LYS 120 CD 0.0106 -0.0123 -0.0024 1991 LYS 120 CE 0.0095 -0.0124 -0.0011 1992 LYS 120 NZ 0.0095 -0.0134 -0.0002 1993 GLU 121 N 0.0076 -0.0086 -0.0050 1994 GLU 121 CA 0.0067 -0.0082 -0.0049 1995 GLU 121 C 0.0066 -0.0069 -0.0052 1996 GLU 121 O 0.0058 -0.0065 -0.0051 1997 GLU 121 CB 0.0059 -0.0085 -0.0046 1998 GLU 121 CG 0.0051 -0.0086 -0.0043 1999 GLU 121 CD 0.0044 -0.0088 -0.0041 2000 GLU 121 OE1 0.0032 -0.0083 -0.0039 2001 GLU 121 OE2 0.0047 -0.0096 -0.0039 2002 PHE 122 N 0.0074 -0.0065 -0.0056 2003 PHE 122 CA 0.0073 -0.0054 -0.0059 2004 PHE 122 C 0.0078 -0.0052 -0.0060 2005 PHE 122 O 0.0087 -0.0050 -0.0063 2006 PHE 122 CB 0.0080 -0.0050 -0.0061 2007 PHE 122 CG 0.0077 -0.0039 -0.0064 2008 PHE 122 CD1 0.0068 -0.0035 -0.0063 2009 PHE 122 CD2 0.0085 -0.0034 -0.0068 2010 PHE 122 CE1 0.0065 -0.0025 -0.0065 2011 PHE 122 CE2 0.0083 -0.0023 -0.0070 2012 PHE 122 CZ 0.0073 -0.0019 -0.0068 2013 THR 123 N 0.0073 -0.0054 -0.0059 2014 THR 123 CA 0.0077 -0.0054 -0.0060 2015 THR 123 C 0.0079 -0.0042 -0.0064 2016 THR 123 O 0.0075 -0.0036 -0.0064 2017 THR 123 CB 0.0070 -0.0057 -0.0057 2018 THR 123 OG1 0.0061 -0.0053 -0.0056 2019 THR 123 CG2 0.0068 -0.0068 -0.0053 2020 PRO 124 N 0.0033 -0.0026 -0.0066 2021 PRO 124 CA 0.0032 -0.0020 -0.0051 2022 PRO 124 C 0.0029 -0.0018 -0.0049 2023 PRO 124 O 0.0037 -0.0016 -0.0038 2024 PRO 124 CB 0.0021 -0.0015 -0.0047 2025 PRO 124 CG 0.0020 -0.0019 -0.0058 2026 PRO 124 CD 0.0023 -0.0026 -0.0072 2027 PRO 125 N 0.0022 -0.0018 -0.0055 2028 PRO 125 CA 0.0020 -0.0017 -0.0053 2029 PRO 125 C 0.0032 -0.0021 -0.0054 2030 PRO 125 O 0.0036 -0.0019 -0.0046 2031 PRO 125 CB 0.0009 -0.0017 -0.0062 2032 PRO 125 CG 0.0001 -0.0016 -0.0065 2033 PRO 125 CD 0.0010 -0.0019 -0.0067 2034 VAL 126 N 0.0039 -0.0027 -0.0063 2035 VAL 126 CA 0.0052 -0.0032 -0.0065 2036 VAL 126 C 0.0063 -0.0031 -0.0055 2037 VAL 126 O 0.0071 -0.0031 -0.0049 2038 VAL 126 CB 0.0056 -0.0039 -0.0079 2039 VAL 126 CG1 0.0069 -0.0043 -0.0080 2040 VAL 126 CG2 0.0048 -0.0041 -0.0089 2041 GLN 127 N 0.0050 -0.0011 -0.0050 2042 GLN 127 CA 0.0055 -0.0009 -0.0044 2043 GLN 127 C 0.0055 -0.0007 -0.0035 2044 GLN 127 O 0.0060 -0.0006 -0.0029 2045 GLN 127 CB 0.0053 -0.0009 -0.0046 2046 GLN 127 CG 0.0058 -0.0008 -0.0038 2047 GLN 127 CD 0.0054 -0.0008 -0.0039 2048 GLN 127 OE1 0.0049 -0.0009 -0.0045 2049 GLN 127 NE2 0.0058 -0.0006 -0.0032 2050 ALA 128 N 0.0045 -0.0007 -0.0031 2051 ALA 128 CA 0.0043 -0.0005 -0.0022 2052 ALA 128 C 0.0048 -0.0004 -0.0018 2053 ALA 128 O 0.0052 -0.0002 -0.0011 2054 ALA 128 CB 0.0032 -0.0005 -0.0020 2055 ALA 129 N 0.0049 -0.0005 -0.0024 2056 ALA 129 CA 0.0054 -0.0005 -0.0022 2057 ALA 129 C 0.0065 -0.0004 -0.0022 2058 ALA 129 O 0.0069 -0.0002 -0.0015 2059 ALA 129 CB 0.0052 -0.0006 -0.0030 2060 TYR 130 N 0.0046 -0.0004 -0.0042 2061 TYR 130 CA 0.0058 0.0001 -0.0041 2062 TYR 130 C 0.0062 0.0005 -0.0034 2063 TYR 130 O 0.0070 0.0009 -0.0030 2064 TYR 130 CB 0.0063 -0.0002 -0.0054 2065 TYR 130 CG 0.0067 -0.0003 -0.0059 2066 TYR 130 CD1 0.0077 0.0001 -0.0060 2067 TYR 130 CD2 0.0060 -0.0008 -0.0066 2068 TYR 130 CE1 0.0079 -0.0000 -0.0064 2069 TYR 130 CE2 0.0062 -0.0009 -0.0071 2070 TYR 130 CZ 0.0073 -0.0005 -0.0071 2071 TYR 130 OH 0.0076 -0.0006 -0.0075 2072 GLN 131 N 0.0056 0.0003 -0.0033 2073 GLN 131 CA 0.0058 0.0007 -0.0025 2074 GLN 131 C 0.0057 0.0011 -0.0013 2075 GLN 131 O 0.0066 0.0016 -0.0008 2076 GLN 131 CB 0.0050 0.0004 -0.0024 2077 GLN 131 CG 0.0052 0.0000 -0.0035 2078 GLN 131 CD 0.0061 0.0003 -0.0037 2079 GLN 131 OE1 0.0061 -0.0000 -0.0046 2080 GLN 131 NE2 0.0068 0.0008 -0.0031 2081 LYS 132 N 0.0050 0.0009 -0.0010 2082 LYS 132 CA 0.0048 0.0012 0.0001 2083 LYS 132 C 0.0059 0.0017 0.0002 2084 LYS 132 O 0.0065 0.0022 0.0009 2085 LYS 132 CB 0.0040 0.0010 0.0003 2086 LYS 132 CG 0.0029 0.0007 0.0006 2087 LYS 132 CD 0.0020 0.0005 0.0008 2088 LYS 132 CE 0.0010 0.0002 0.0009 2089 LYS 132 NZ 0.0001 -0.0000 0.0012 2090 VAL 133 N 0.0025 0.0012 -0.0026 2091 VAL 133 CA 0.0034 0.0014 -0.0027 2092 VAL 133 C 0.0038 0.0015 -0.0026 2093 VAL 133 O 0.0044 0.0014 -0.0021 2094 VAL 133 CB 0.0037 0.0018 -0.0034 2095 VAL 133 CG1 0.0045 0.0021 -0.0035 2096 VAL 133 CG2 0.0035 0.0018 -0.0034 2097 VAL 134 N 0.0033 0.0015 -0.0030 2098 VAL 134 CA 0.0035 0.0016 -0.0030 2099 VAL 134 C 0.0035 0.0013 -0.0022 2100 VAL 134 O 0.0040 0.0012 -0.0018 2101 VAL 134 CB 0.0033 0.0017 -0.0035 2102 VAL 134 CG1 0.0035 0.0021 -0.0043 2103 VAL 134 CG2 0.0023 0.0015 -0.0036 2104 ALA 135 N 0.0028 0.0009 -0.0017 2105 ALA 135 CA 0.0028 0.0006 -0.0009 2106 ALA 135 C 0.0035 0.0005 -0.0003 2107 ALA 135 O 0.0038 0.0004 0.0003 2108 ALA 135 CB 0.0019 0.0003 -0.0007 2109 GLY 136 N 0.0038 -0.0006 0.0020 2110 GLY 136 CA 0.0039 -0.0004 0.0024 2111 GLY 136 C 0.0043 -0.0001 0.0023 2112 GLY 136 O 0.0045 0.0001 0.0026 2113 VAL 137 N 0.0045 -0.0001 0.0019 2114 VAL 137 CA 0.0049 0.0002 0.0018 2115 VAL 137 C 0.0050 0.0003 0.0018 2116 VAL 137 O 0.0053 0.0006 0.0021 2117 VAL 137 CB 0.0050 0.0002 0.0013 2118 VAL 137 CG1 0.0054 0.0005 0.0013 2119 VAL 137 CG2 0.0048 0.0000 0.0014 2120 ALA 138 N 0.0049 0.0002 0.0017 2121 ALA 138 CA 0.0051 0.0003 0.0017 2122 ALA 138 C 0.0051 0.0005 0.0021 2123 ALA 138 O 0.0053 0.0007 0.0023 2124 ALA 138 CB 0.0049 0.0001 0.0014 2125 ASN 139 N 0.0070 -0.0020 0.0021 2126 ASN 139 CA 0.0068 -0.0016 0.0022 2127 ASN 139 C 0.0063 -0.0009 0.0029 2128 ASN 139 O 0.0062 -0.0003 0.0026 2129 ASN 139 CB 0.0069 -0.0024 0.0028 2130 ASN 139 CG 0.0071 -0.0026 0.0024 2131 ASN 139 OD1 0.0075 -0.0030 0.0014 2132 ASN 139 ND2 0.0075 -0.0040 0.0023 2133 ALA 140 N 0.0061 -0.0009 0.0036 2134 ALA 140 CA 0.0056 -0.0002 0.0042 2135 ALA 140 C 0.0055 0.0007 0.0037 2136 ALA 140 O 0.0052 0.0015 0.0038 2137 ALA 140 CB 0.0053 -0.0004 0.0052 2138 LEU 141 N 0.0057 0.0007 0.0032 2139 LEU 141 CA 0.0056 0.0015 0.0026 2140 LEU 141 C 0.0057 0.0019 0.0020 2141 LEU 141 O 0.0056 0.0027 0.0015 2142 LEU 141 CB 0.0058 0.0014 0.0023 2143 LEU 141 CG 0.0055 0.0015 0.0030 2144 LEU 141 CD1 0.0057 0.0012 0.0025 2145 LEU 141 CD2 0.0051 0.0024 0.0032 2146 ALA 142 N 0.0075 0.0049 0.0026 2147 ALA 142 CA 0.0086 0.0064 0.0014 2148 ALA 142 C 0.0068 0.0081 -0.0011 2149 ALA 142 O 0.0075 0.0095 -0.0023 2150 ALA 142 CB 0.0114 0.0073 0.0014 2151 HIS 143 N 0.0056 0.0079 -0.0012 2152 HIS 143 CA 0.0046 0.0094 -0.0031 2153 HIS 143 C 0.0029 0.0103 -0.0047 2154 HIS 143 O 0.0029 0.0120 -0.0064 2155 HIS 143 CB 0.0032 0.0087 -0.0029 2156 HIS 143 CG 0.0024 0.0105 -0.0051 2157 HIS 143 ND1 -0.0007 0.0096 -0.0052 2158 HIS 143 CD2 0.0042 0.0117 -0.0058 2159 HIS 143 CE1 0.0003 0.0118 -0.0072 2160 HIS 143 NE2 0.0031 0.0131 -0.0076 2161 LYS 144 N 0.0015 0.0091 -0.0039 2162 LYS 144 CA -0.0003 0.0098 -0.0052 2163 LYS 144 C 0.0009 0.0103 -0.0053 2164 LYS 144 O -0.0006 0.0106 -0.0062 2165 LYS 144 CB -0.0026 0.0082 -0.0043 2166 LYS 144 CG -0.0042 0.0082 -0.0048 2167 LYS 144 CD -0.0058 0.0093 -0.0066 2168 LYS 144 CE -0.0087 0.0104 -0.0087 2169 LYS 144 NZ -0.0117 0.0084 -0.0076 2170 TYR 145 N -0.0006 0.0076 -0.0020 2171 TYR 145 CA 0.0009 0.0081 -0.0010 2172 TYR 145 C 0.0009 0.0100 -0.0016 2173 TYR 145 O 0.0002 0.0113 -0.0024 2174 TYR 145 CB 0.0024 0.0080 0.0001 2175 TYR 145 CG 0.0030 0.0059 0.0011 2176 TYR 145 CD1 0.0043 0.0054 0.0022 2177 TYR 145 CD2 0.0018 0.0048 0.0006 2178 TYR 145 CE1 0.0047 0.0036 0.0030 2179 TYR 145 CE2 0.0022 0.0026 0.0015 2180 TYR 145 CZ 0.0036 0.0020 0.0027 2181 TYR 145 OH 0.0041 0.0003 0.0035 2182 HIS 146 N 0.0012 0.0100 -0.0014 2183 HIS 146 CA 0.0013 0.0117 -0.0018 2184 HIS 146 C 0.0025 0.0116 -0.0009 2185 HIS 146 O 0.0032 0.0100 0.0001 2186 HIS 146 CB -0.0005 0.0117 -0.0030 2187 HIS 146 CG -0.0006 0.0098 -0.0026 2188 HIS 146 ND1 -0.0018 0.0098 -0.0034 2189 HIS 146 CD2 -0.0013 0.0079 -0.0025 2190 HIS 146 CE1 -0.0026 0.0075 -0.0034 2191 HIS 146 NE2 -0.0014 0.0069 -0.0023 2192 HIS 146 OXT 0.0028 0.0130 -0.0010 2193 VAL 1 N 0.0229 0.0203 -0.0108 2194 VAL 1 CA 0.0153 0.0219 -0.0046 2195 VAL 1 C 0.0148 0.0173 -0.0039 2196 VAL 1 O 0.0168 0.0170 -0.0055 2197 VAL 1 CB 0.0170 0.0261 -0.0063 2198 VAL 1 CG1 0.0099 0.0265 -0.0005 2199 VAL 1 CG2 0.0109 0.0306 -0.0016 2200 LEU 2 N 0.0128 0.0128 -0.0020 2201 LEU 2 CA 0.0127 0.0078 -0.0015 2202 LEU 2 C 0.0086 0.0089 0.0017 2203 LEU 2 O 0.0051 0.0094 0.0046 2204 LEU 2 CB 0.0115 0.0032 -0.0003 2205 LEU 2 CG 0.0159 -0.0003 -0.0037 2206 LEU 2 CD1 0.0151 -0.0038 -0.0028 2207 LEU 2 CD2 0.0195 -0.0005 -0.0067 2208 SER 3 N 0.0095 0.0097 0.0009 2209 SER 3 CA 0.0060 0.0100 0.0038 2210 SER 3 C 0.0037 0.0048 0.0061 2211 SER 3 O 0.0050 -0.0002 0.0053 2212 SER 3 CB 0.0083 0.0120 0.0018 2213 SER 3 OG 0.0103 0.0075 0.0005 2214 PRO 4 N -0.0012 0.0063 0.0118 2215 PRO 4 CA -0.0034 0.0025 0.0130 2216 PRO 4 C -0.0008 -0.0020 0.0111 2217 PRO 4 O -0.0014 -0.0060 0.0112 2218 PRO 4 CB -0.0071 0.0039 0.0155 2219 PRO 4 CG -0.0073 0.0096 0.0160 2220 PRO 4 CD -0.0029 0.0111 0.0133 2221 ALA 5 N 0.0017 0.0001 0.0096 2222 ALA 5 CA 0.0046 -0.0035 0.0075 2223 ALA 5 C 0.0071 -0.0063 0.0057 2224 ALA 5 O 0.0083 -0.0103 0.0047 2225 ALA 5 CB 0.0074 -0.0023 0.0058 2226 ASP 6 N 0.0090 -0.0027 0.0047 2227 ASP 6 CA 0.0115 -0.0042 0.0030 2228 ASP 6 C 0.0091 -0.0082 0.0043 2229 ASP 6 O 0.0109 -0.0118 0.0029 2230 ASP 6 CB 0.0129 -0.0000 0.0024 2231 ASP 6 CG 0.0163 0.0032 0.0005 2232 ASP 6 OD1 0.0193 0.0012 -0.0016 2233 ASP 6 OD2 0.0164 0.0074 0.0007 2234 LYS 7 N 0.0049 -0.0077 0.0015 2235 LYS 7 CA 0.0047 -0.0110 0.0038 2236 LYS 7 C 0.0050 -0.0138 0.0052 2237 LYS 7 O 0.0064 -0.0166 0.0057 2238 LYS 7 CB 0.0025 -0.0091 0.0045 2239 LYS 7 CG 0.0027 -0.0059 0.0024 2240 LYS 7 CD 0.0011 -0.0050 0.0034 2241 LYS 7 CE -0.0002 -0.0019 0.0026 2242 LYS 7 NZ -0.0018 0.0007 0.0024 2243 THR 8 N 0.0028 -0.0129 0.0067 2244 THR 8 CA 0.0028 -0.0159 0.0086 2245 THR 8 C 0.0053 -0.0180 0.0076 2246 THR 8 O 0.0062 -0.0211 0.0087 2247 THR 8 CB -0.0004 -0.0141 0.0104 2248 THR 8 OG1 -0.0026 -0.0130 0.0118 2249 THR 8 CG2 -0.0008 -0.0168 0.0125 2250 ASN 9 N 0.0069 -0.0162 0.0050 2251 ASN 9 CA 0.0099 -0.0177 0.0032 2252 ASN 9 C 0.0123 -0.0198 0.0023 2253 ASN 9 O 0.0138 -0.0228 0.0027 2254 ASN 9 CB 0.0107 -0.0149 0.0007 2255 ASN 9 CG 0.0092 -0.0138 0.0013 2256 ASN 9 OD1 0.0077 -0.0153 0.0037 2257 ASN 9 ND2 0.0089 -0.0108 -0.0002 2258 VAL 10 N 0.0071 -0.0204 0.0029 2259 VAL 10 CA 0.0076 -0.0198 0.0029 2260 VAL 10 C 0.0054 -0.0216 0.0029 2261 VAL 10 O 0.0067 -0.0226 0.0028 2262 VAL 10 CB 0.0074 -0.0167 0.0031 2263 VAL 10 CG1 0.0079 -0.0157 0.0032 2264 VAL 10 CG2 0.0097 -0.0151 0.0032 2265 LYS 11 N 0.0029 -0.0216 0.0029 2266 LYS 11 CA 0.0009 -0.0236 0.0028 2267 LYS 11 C 0.0014 -0.0262 0.0026 2268 LYS 11 O 0.0017 -0.0278 0.0025 2269 LYS 11 CB -0.0019 -0.0224 0.0028 2270 LYS 11 CG -0.0030 -0.0196 0.0030 2271 LYS 11 CD -0.0062 -0.0196 0.0030 2272 LYS 11 CE -0.0074 -0.0171 0.0031 2273 LYS 11 NZ -0.0087 -0.0153 0.0032 2274 ALA 12 N 0.0024 -0.0272 0.0026 2275 ALA 12 CA 0.0035 -0.0298 0.0024 2276 ALA 12 C 0.0054 -0.0311 0.0024 2277 ALA 12 O 0.0060 -0.0331 0.0023 2278 ALA 12 CB 0.0041 -0.0312 0.0024 2279 ALA 13 N 0.0064 -0.0195 0.0052 2280 ALA 13 CA 0.0058 -0.0188 0.0065 2281 ALA 13 C 0.0038 -0.0173 0.0064 2282 ALA 13 O 0.0028 -0.0165 0.0058 2283 ALA 13 CB 0.0067 -0.0194 0.0087 2284 TRP 14 N 0.0030 -0.0165 0.0072 2285 TRP 14 CA 0.0011 -0.0149 0.0076 2286 TRP 14 C 0.0002 -0.0145 0.0053 2287 TRP 14 O -0.0013 -0.0134 0.0046 2288 TRP 14 CB 0.0007 -0.0145 0.0084 2289 TRP 14 CG -0.0009 -0.0131 0.0097 2290 TRP 14 CD1 -0.0026 -0.0119 0.0085 2291 TRP 14 CD2 -0.0011 -0.0126 0.0118 2292 TRP 14 NE1 -0.0036 -0.0108 0.0104 2293 TRP 14 CE2 -0.0032 -0.0110 0.0120 2294 TRP 14 CE3 -0.0002 -0.0133 0.0130 2295 TRP 14 CZ2 -0.0038 -0.0103 0.0136 2296 TRP 14 CZ3 -0.0007 -0.0126 0.0149 2297 TRP 14 CH2 -0.0030 -0.0108 0.0148 2298 GLY 15 N 0.0006 -0.0151 0.0034 2299 GLY 15 CA 0.0004 -0.0152 0.0009 2300 GLY 15 C 0.0001 -0.0150 0.0003 2301 GLY 15 O -0.0019 -0.0136 -0.0006 2302 LYS 16 N -0.0022 -0.0090 0.0025 2303 LYS 16 CA -0.0018 -0.0098 0.0036 2304 LYS 16 C -0.0042 -0.0055 0.0070 2305 LYS 16 O -0.0054 -0.0032 0.0073 2306 LYS 16 CB -0.0003 -0.0129 0.0050 2307 LYS 16 CG 0.0006 -0.0142 0.0004 2308 LYS 16 CD -0.0006 -0.0124 0.0048 2309 LYS 16 CE -0.0009 -0.0112 0.0010 2310 LYS 16 NZ -0.0027 -0.0083 0.0054 2311 VAL 17 N -0.0049 -0.0044 0.0092 2312 VAL 17 CA -0.0068 -0.0012 0.0122 2313 VAL 17 C -0.0082 0.0021 0.0094 2314 VAL 17 O -0.0100 0.0055 0.0097 2315 VAL 17 CB -0.0070 -0.0011 0.0165 2316 VAL 17 CG1 -0.0090 0.0026 0.0175 2317 VAL 17 CG2 -0.0054 -0.0048 0.0199 2318 GLY 18 N -0.0082 0.0023 0.0066 2319 GLY 18 CA -0.0098 0.0059 0.0033 2320 GLY 18 C -0.0118 0.0097 0.0046 2321 GLY 18 O -0.0126 0.0108 0.0083 2322 ALA 19 N -0.0125 0.0129 0.0112 2323 ALA 19 CA -0.0138 0.0147 0.0118 2324 ALA 19 C -0.0147 0.0153 0.0139 2325 ALA 19 O -0.0161 0.0169 0.0152 2326 ALA 19 CB -0.0143 0.0161 0.0100 2327 HIS 20 N -0.0143 0.0140 0.0154 2328 HIS 20 CA -0.0150 0.0144 0.0178 2329 HIS 20 C -0.0150 0.0137 0.0198 2330 HIS 20 O -0.0156 0.0137 0.0219 2331 HIS 20 CB -0.0142 0.0129 0.0183 2332 HIS 20 CG -0.0138 0.0130 0.0164 2333 HIS 20 ND1 -0.0154 0.0153 0.0168 2334 HIS 20 CD2 -0.0130 0.0125 0.0143 2335 HIS 20 CE1 -0.0149 0.0155 0.0142 2336 HIS 20 NE2 -0.0133 0.0133 0.0135 2337 ALA 21 N -0.0143 0.0127 0.0192 2338 ALA 21 CA -0.0142 0.0120 0.0210 2339 ALA 21 C -0.0156 0.0135 0.0228 2340 ALA 21 O -0.0156 0.0126 0.0249 2341 ALA 21 CB -0.0135 0.0115 0.0194 2342 GLY 22 N -0.0115 0.0077 0.0096 2343 GLY 22 CA -0.0119 0.0079 0.0099 2344 GLY 22 C -0.0125 0.0082 0.0104 2345 GLY 22 O -0.0131 0.0079 0.0109 2346 GLU 23 N -0.0128 0.0089 0.0108 2347 GLU 23 CA -0.0135 0.0092 0.0114 2348 GLU 23 C -0.0141 0.0082 0.0117 2349 GLU 23 O -0.0149 0.0082 0.0122 2350 GLU 23 CB -0.0135 0.0099 0.0115 2351 GLU 23 CG -0.0142 0.0104 0.0121 2352 GLU 23 CD -0.0138 0.0116 0.0120 2353 GLU 23 OE1 -0.0147 0.0106 0.0125 2354 GLU 23 OE2 -0.0134 0.0112 0.0117 2355 TYR 24 N -0.0138 0.0077 0.0114 2356 TYR 24 CA -0.0143 0.0069 0.0115 2357 TYR 24 C -0.0146 0.0061 0.0116 2358 TYR 24 O -0.0151 0.0056 0.0119 2359 TYR 24 CB -0.0140 0.0065 0.0112 2360 TYR 24 CG -0.0139 0.0071 0.0113 2361 TYR 24 CD1 -0.0135 0.0066 0.0109 2362 TYR 24 CD2 -0.0142 0.0080 0.0117 2363 TYR 24 CE1 -0.0133 0.0073 0.0109 2364 TYR 24 CE2 -0.0141 0.0086 0.0117 2365 TYR 24 CZ -0.0137 0.0080 0.0113 2366 TYR 24 OH -0.0135 0.0087 0.0113 2367 GLY 25 N -0.0164 0.0072 0.0086 2368 GLY 25 CA -0.0164 0.0081 0.0092 2369 GLY 25 C -0.0158 0.0070 0.0079 2370 GLY 25 O -0.0144 0.0083 0.0070 2371 ALA 26 N -0.0160 0.0048 0.0067 2372 ALA 26 CA -0.0152 0.0037 0.0051 2373 ALA 26 C -0.0132 0.0047 0.0034 2374 ALA 26 O -0.0120 0.0051 0.0023 2375 ALA 26 CB -0.0162 0.0009 0.0046 2376 GLU 27 N -0.0127 0.0046 0.0028 2377 GLU 27 CA -0.0107 0.0051 0.0008 2378 GLU 27 C -0.0097 0.0077 0.0012 2379 GLU 27 O -0.0082 0.0083 -0.0002 2380 GLU 27 CB -0.0106 0.0052 0.0007 2381 GLU 27 CG -0.0087 0.0057 -0.0012 2382 GLU 27 CD -0.0084 0.0053 -0.0017 2383 GLU 27 OE1 -0.0072 0.0070 -0.0022 2384 GLU 27 OE2 -0.0098 0.0038 -0.0011 2385 ALA 28 N -0.0112 0.0060 0.0011 2386 ALA 28 CA -0.0107 0.0089 0.0005 2387 ALA 28 C -0.0096 0.0090 -0.0007 2388 ALA 28 O -0.0084 0.0104 -0.0021 2389 ALA 28 CB -0.0123 0.0102 0.0024 2390 LEU 29 N -0.0103 0.0073 0.0000 2391 LEU 29 CA -0.0091 0.0074 -0.0013 2392 LEU 29 C -0.0075 0.0067 -0.0032 2393 LEU 29 O -0.0061 0.0075 -0.0048 2394 LEU 29 CB -0.0102 0.0055 -0.0000 2395 LEU 29 CG -0.0117 0.0067 0.0018 2396 LEU 29 CD1 -0.0126 0.0046 0.0028 2397 LEU 29 CD2 -0.0115 0.0091 0.0015 2398 GLU 30 N -0.0070 0.0045 -0.0037 2399 GLU 30 CA -0.0055 0.0034 -0.0055 2400 GLU 30 C -0.0045 0.0055 -0.0067 2401 GLU 30 O -0.0030 0.0056 -0.0085 2402 GLU 30 CB -0.0056 0.0008 -0.0054 2403 GLU 30 CG -0.0039 -0.0002 -0.0074 2404 GLU 30 CD -0.0036 -0.0037 -0.0076 2405 GLU 30 OE1 -0.0051 -0.0040 -0.0058 2406 GLU 30 OE2 -0.0027 -0.0040 -0.0087 2407 ARG 31 N -0.0018 0.0054 -0.0053 2408 ARG 31 CA 0.0002 0.0065 -0.0057 2409 ARG 31 C 0.0009 0.0083 -0.0046 2410 ARG 31 O 0.0025 0.0088 -0.0053 2411 ARG 31 CB 0.0003 0.0068 -0.0055 2412 ARG 31 CG 0.0004 0.0052 -0.0069 2413 ARG 31 CD 0.0004 0.0057 -0.0066 2414 ARG 31 NE 0.0004 0.0041 -0.0080 2415 ARG 31 CZ 0.0019 0.0036 -0.0094 2416 ARG 31 NH1 0.0036 0.0045 -0.0098 2417 ARG 31 NH2 0.0014 0.0021 -0.0104 2418 MET 32 N -0.0003 0.0091 -0.0031 2419 MET 32 CA 0.0000 0.0108 -0.0018 2420 MET 32 C 0.0004 0.0106 -0.0022 2421 MET 32 O 0.0018 0.0116 -0.0023 2422 MET 32 CB -0.0016 0.0114 -0.0002 2423 MET 32 CG -0.0012 0.0130 0.0010 2424 MET 32 SD -0.0031 0.0138 0.0030 2425 MET 32 CE -0.0049 0.0122 0.0027 2426 PHE 33 N -0.0010 0.0091 -0.0026 2427 PHE 33 CA -0.0006 0.0089 -0.0030 2428 PHE 33 C 0.0010 0.0086 -0.0044 2429 PHE 33 O 0.0020 0.0092 -0.0045 2430 PHE 33 CB -0.0025 0.0076 -0.0030 2431 PHE 33 CG -0.0044 0.0076 -0.0016 2432 PHE 33 CD1 -0.0044 0.0092 -0.0002 2433 PHE 33 CD2 -0.0060 0.0062 -0.0018 2434 PHE 33 CE1 -0.0061 0.0095 0.0012 2435 PHE 33 CE2 -0.0076 0.0067 -0.0002 2436 PHE 33 CZ -0.0076 0.0082 0.0011 2437 LEU 34 N 0.0020 0.0085 -0.0079 2438 LEU 34 CA 0.0039 0.0076 -0.0077 2439 LEU 34 C 0.0051 0.0080 -0.0073 2440 LEU 34 O 0.0067 0.0083 -0.0068 2441 LEU 34 CB 0.0040 0.0056 -0.0083 2442 LEU 34 CG 0.0031 0.0051 -0.0087 2443 LEU 34 CD1 0.0031 0.0031 -0.0093 2444 LEU 34 CD2 0.0040 0.0059 -0.0082 2445 SER 35 N 0.0042 0.0078 -0.0076 2446 SER 35 CA 0.0053 0.0081 -0.0072 2447 SER 35 C 0.0058 0.0099 -0.0065 2448 SER 35 O 0.0070 0.0103 -0.0061 2449 SER 35 CB 0.0045 0.0073 -0.0077 2450 SER 35 OG 0.0044 0.0054 -0.0083 2451 PHE 36 N 0.0044 0.0114 -0.0064 2452 PHE 36 CA 0.0044 0.0132 -0.0059 2453 PHE 36 C 0.0037 0.0144 -0.0057 2454 PHE 36 O 0.0022 0.0152 -0.0058 2455 PHE 36 CB 0.0030 0.0136 -0.0061 2456 PHE 36 CG 0.0032 0.0124 -0.0064 2457 PHE 36 CD1 0.0020 0.0110 -0.0071 2458 PHE 36 CD2 0.0049 0.0125 -0.0060 2459 PHE 36 CE1 0.0022 0.0099 -0.0074 2460 PHE 36 CE2 0.0049 0.0114 -0.0063 2461 PHE 36 CZ 0.0036 0.0100 -0.0070 2462 PRO 37 N -0.0013 0.0102 -0.0014 2463 PRO 37 CA -0.0022 0.0089 -0.0015 2464 PRO 37 C -0.0025 0.0086 -0.0001 2465 PRO 37 O -0.0033 0.0075 0.0003 2466 PRO 37 CB -0.0022 0.0086 -0.0030 2467 PRO 37 CG -0.0015 0.0096 -0.0036 2468 PRO 37 CD -0.0009 0.0105 -0.0028 2469 THR 38 N -0.0020 0.0095 0.0005 2470 THR 38 CA -0.0023 0.0093 0.0019 2471 THR 38 C -0.0028 0.0088 0.0030 2472 THR 38 O -0.0033 0.0082 0.0039 2473 THR 38 CB -0.0014 0.0106 0.0019 2474 THR 38 OG1 -0.0010 0.0114 0.0028 2475 THR 38 CG2 -0.0008 0.0114 0.0013 2476 THR 39 N -0.0025 0.0092 0.0031 2477 THR 39 CA -0.0030 0.0087 0.0043 2478 THR 39 C -0.0040 0.0073 0.0041 2479 THR 39 O -0.0045 0.0067 0.0052 2480 THR 39 CB -0.0026 0.0092 0.0043 2481 THR 39 OG1 -0.0027 0.0089 0.0030 2482 THR 39 CG2 -0.0017 0.0106 0.0045 2483 LYS 40 N -0.0037 0.0033 0.0040 2484 LYS 40 CA -0.0037 0.0030 0.0040 2485 LYS 40 C -0.0037 0.0014 0.0041 2486 LYS 40 O -0.0034 0.0011 0.0042 2487 LYS 40 CB -0.0051 0.0037 0.0035 2488 LYS 40 CG -0.0051 0.0054 0.0034 2489 LYS 40 CD -0.0067 0.0056 0.0028 2490 LYS 40 CE -0.0068 0.0065 0.0027 2491 LYS 40 NZ -0.0085 0.0062 0.0021 2492 THR 41 N -0.0040 0.0006 0.0040 2493 THR 41 CA -0.0041 -0.0011 0.0040 2494 THR 41 C -0.0028 -0.0014 0.0045 2495 THR 41 O -0.0026 -0.0028 0.0046 2496 THR 41 CB -0.0046 -0.0019 0.0038 2497 THR 41 OG1 -0.0037 -0.0017 0.0042 2498 THR 41 CG2 -0.0059 -0.0014 0.0033 2499 TYR 42 N -0.0015 -0.0008 0.0050 2500 TYR 42 CA -0.0002 -0.0013 0.0055 2501 TYR 42 C 0.0003 -0.0009 0.0057 2502 TYR 42 O 0.0013 -0.0012 0.0061 2503 TYR 42 CB 0.0009 -0.0006 0.0059 2504 TYR 42 CG 0.0005 -0.0013 0.0058 2505 TYR 42 CD1 0.0011 -0.0028 0.0060 2506 TYR 42 CD2 -0.0002 -0.0006 0.0055 2507 TYR 42 CE1 0.0007 -0.0033 0.0059 2508 TYR 42 CE2 -0.0004 -0.0011 0.0054 2509 TYR 42 CZ 0.0001 -0.0026 0.0056 2510 TYR 42 OH -0.0001 -0.0031 0.0056 2511 PHE 43 N 0.0005 0.0025 0.0066 2512 PHE 43 CA 0.0008 0.0028 0.0068 2513 PHE 43 C 0.0015 0.0033 0.0075 2514 PHE 43 O 0.0017 0.0032 0.0081 2515 PHE 43 CB 0.0004 0.0019 0.0070 2516 PHE 43 CG -0.0003 0.0013 0.0064 2517 PHE 43 CD1 -0.0007 0.0006 0.0065 2518 PHE 43 CD2 -0.0005 0.0015 0.0058 2519 PHE 43 CE1 -0.0013 0.0001 0.0058 2520 PHE 43 CE2 -0.0012 0.0009 0.0052 2521 PHE 43 CZ -0.0016 0.0002 0.0051 2522 PRO 44 N 0.0018 0.0041 0.0073 2523 PRO 44 CA 0.0025 0.0046 0.0081 2524 PRO 44 C 0.0028 0.0053 0.0078 2525 PRO 44 O 0.0033 0.0055 0.0085 2526 PRO 44 CB 0.0027 0.0052 0.0077 2527 PRO 44 CG 0.0022 0.0052 0.0067 2528 PRO 44 CD 0.0016 0.0043 0.0065 2529 HIS 45 N 0.0025 0.0053 0.0072 2530 HIS 45 CA 0.0027 0.0058 0.0070 2531 HIS 45 C 0.0026 0.0053 0.0074 2532 HIS 45 O 0.0027 0.0058 0.0071 2533 HIS 45 CB 0.0024 0.0062 0.0060 2534 HIS 45 CG 0.0017 0.0057 0.0052 2535 HIS 45 ND1 0.0014 0.0050 0.0054 2536 HIS 45 CD2 0.0013 0.0054 0.0046 2537 HIS 45 CE1 0.0009 0.0047 0.0048 2538 HIS 45 NE2 0.0007 0.0048 0.0043 2539 PHE 46 N 0.0005 0.0068 0.0054 2540 PHE 46 CA 0.0005 0.0063 0.0047 2541 PHE 46 C 0.0008 0.0058 0.0035 2542 PHE 46 O 0.0015 0.0061 0.0029 2543 PHE 46 CB 0.0014 0.0071 0.0047 2544 PHE 46 CG 0.0008 0.0071 0.0056 2545 PHE 46 CD1 0.0012 0.0074 0.0055 2546 PHE 46 CD2 0.0001 0.0073 0.0068 2547 PHE 46 CE1 0.0008 0.0077 0.0065 2548 PHE 46 CE2 -0.0001 0.0074 0.0073 2549 PHE 46 CZ 0.0003 0.0079 0.0076 2550 ASP 47 N 0.0005 0.0050 0.0025 2551 ASP 47 CA 0.0011 0.0048 0.0012 2552 ASP 47 C 0.0021 0.0053 0.0007 2553 ASP 47 O 0.0017 0.0053 0.0012 2554 ASP 47 CB 0.0001 0.0037 0.0006 2555 ASP 47 CG 0.0008 0.0033 -0.0009 2556 ASP 47 OD1 0.0015 0.0038 -0.0011 2557 ASP 47 OD2 0.0000 0.0024 -0.0014 2558 LEU 48 N 0.0030 0.0060 0.0005 2559 LEU 48 CA 0.0039 0.0066 0.0002 2560 LEU 48 C 0.0044 0.0063 -0.0009 2561 LEU 48 O 0.0053 0.0068 -0.0015 2562 LEU 48 CB 0.0048 0.0075 0.0007 2563 LEU 48 CG 0.0047 0.0082 0.0019 2564 LEU 48 CD1 0.0054 0.0091 0.0024 2565 LEU 48 CD2 0.0042 0.0084 0.0029 2566 SER 49 N 0.0106 0.0032 -0.0091 2567 SER 49 CA 0.0121 0.0003 -0.0086 2568 SER 49 C 0.0100 -0.0014 -0.0091 2569 SER 49 O 0.0073 -0.0016 -0.0098 2570 SER 49 CB 0.0138 0.0001 -0.0082 2571 SER 49 OG 0.0125 0.0012 -0.0085 2572 HIS 50 N 0.0115 -0.0045 -0.0086 2573 HIS 50 CA 0.0096 -0.0069 -0.0090 2574 HIS 50 C 0.0073 -0.0079 -0.0096 2575 HIS 50 O 0.0087 -0.0080 -0.0092 2576 HIS 50 CB 0.0116 -0.0100 -0.0084 2577 HIS 50 CG 0.0095 -0.0118 -0.0089 2578 HIS 50 ND1 0.0094 -0.0149 -0.0088 2579 HIS 50 CD2 0.0075 -0.0125 -0.0094 2580 HIS 50 CE1 0.0073 -0.0164 -0.0093 2581 HIS 50 NE2 0.0055 -0.0152 -0.0098 2582 GLY 51 N 0.0048 -0.0081 -0.0102 2583 GLY 51 CA 0.0029 -0.0089 -0.0107 2584 GLY 51 C 0.0014 -0.0067 -0.0111 2585 GLY 51 O -0.0007 -0.0069 -0.0117 2586 SER 52 N 0.0027 -0.0008 -0.0060 2587 SER 52 CA 0.0010 -0.0007 -0.0041 2588 SER 52 C -0.0006 -0.0008 -0.0024 2589 SER 52 O -0.0006 0.0006 -0.0013 2590 SER 52 CB 0.0020 0.0013 -0.0036 2591 SER 52 OG 0.0005 0.0014 -0.0019 2592 ALA 53 N -0.0027 -0.0024 -0.0015 2593 ALA 53 CA -0.0046 -0.0023 0.0006 2594 ALA 53 C -0.0047 0.0001 0.0026 2595 ALA 53 O -0.0058 0.0005 0.0041 2596 ALA 53 CB -0.0063 -0.0046 0.0005 2597 GLN 54 N -0.0039 0.0005 0.0021 2598 GLN 54 CA -0.0041 0.0027 0.0041 2599 GLN 54 C -0.0028 0.0051 0.0047 2600 GLN 54 O -0.0036 0.0064 0.0065 2601 GLN 54 CB -0.0034 0.0035 0.0040 2602 GLN 54 CG -0.0047 0.0020 0.0042 2603 GLN 54 CD -0.0040 0.0024 0.0038 2604 GLN 54 OE1 -0.0022 0.0026 0.0020 2605 GLN 54 NE2 -0.0051 0.0031 0.0056 2606 VAL 55 N 0.0003 0.0038 0.0015 2607 VAL 55 CA -0.0020 0.0046 0.0013 2608 VAL 55 C -0.0018 0.0052 0.0032 2609 VAL 55 O -0.0028 0.0056 0.0032 2610 VAL 55 CB -0.0034 0.0051 0.0013 2611 VAL 55 CG1 -0.0054 0.0060 0.0017 2612 VAL 55 CG2 -0.0034 0.0044 -0.0006 2613 LYS 56 N -0.0008 0.0055 0.0051 2614 LYS 56 CA -0.0008 0.0061 0.0069 2615 LYS 56 C 0.0000 0.0058 0.0067 2616 LYS 56 O -0.0005 0.0061 0.0071 2617 LYS 56 CB 0.0005 0.0063 0.0087 2618 LYS 56 CG -0.0008 0.0070 0.0094 2619 LYS 56 CD 0.0004 0.0078 0.0127 2620 LYS 56 CE -0.0010 0.0082 0.0123 2621 LYS 56 NZ 0.0009 0.0082 0.0144 2622 GLY 57 N 0.0017 0.0047 0.0056 2623 GLY 57 CA 0.0028 0.0042 0.0052 2624 GLY 57 C 0.0016 0.0041 0.0038 2625 GLY 57 O 0.0016 0.0042 0.0041 2626 HIS 58 N 0.0062 0.0033 0.0037 2627 HIS 58 CA 0.0028 -0.0017 -0.0006 2628 HIS 58 C -0.0009 -0.0001 0.0017 2629 HIS 58 O -0.0006 -0.0034 -0.0016 2630 HIS 58 CB -0.0020 -0.0047 -0.0026 2631 HIS 58 CG -0.0046 -0.0099 -0.0072 2632 HIS 58 ND1 0.0007 -0.0129 -0.0114 2633 HIS 58 CD2 -0.0105 -0.0121 -0.0082 2634 HIS 58 CE1 -0.0044 -0.0172 -0.0146 2635 HIS 58 NE2 -0.0117 -0.0170 -0.0129 2636 GLY 59 N -0.0045 0.0034 0.0060 2637 GLY 59 CA -0.0076 0.0045 0.0078 2638 GLY 59 C -0.0035 0.0060 0.0085 2639 GLY 59 O -0.0050 0.0041 0.0068 2640 LYS 60 N 0.0031 0.0087 0.0097 2641 LYS 60 CA 0.0086 0.0094 0.0092 2642 LYS 60 C 0.0109 0.0050 0.0044 2643 LYS 60 O 0.0117 0.0041 0.0033 2644 LYS 60 CB 0.0146 0.0139 0.0125 2645 LYS 60 CG 0.0190 0.0144 0.0121 2646 LYS 60 CD 0.0247 0.0193 0.0158 2647 LYS 60 CE 0.0265 0.0204 0.0164 2648 LYS 60 NZ 0.0341 0.0158 0.0103 2649 LYS 61 N 0.0205 -0.0029 0.0038 2650 LYS 61 CA 0.0224 -0.0073 -0.0026 2651 LYS 61 C 0.0131 -0.0089 -0.0060 2652 LYS 61 O 0.0142 -0.0103 -0.0080 2653 LYS 61 CB 0.0246 -0.0117 -0.0091 2654 LYS 61 CG 0.0331 -0.0112 -0.0077 2655 LYS 61 CD 0.0368 -0.0149 -0.0128 2656 LYS 61 CE 0.0483 -0.0136 -0.0098 2657 LYS 61 NZ 0.0458 -0.0189 -0.0181 2658 VAL 62 N 0.0052 -0.0082 -0.0057 2659 VAL 62 CA -0.0030 -0.0090 -0.0077 2660 VAL 62 C -0.0058 -0.0061 -0.0036 2661 VAL 62 O -0.0072 -0.0075 -0.0058 2662 VAL 62 CB -0.0106 -0.0088 -0.0081 2663 VAL 62 CG1 -0.0193 -0.0086 -0.0086 2664 VAL 62 CG2 -0.0085 -0.0131 -0.0144 2665 ALA 63 N -0.0034 -0.0014 0.0039 2666 ALA 63 CA -0.0054 0.0029 0.0101 2667 ALA 63 C -0.0008 0.0017 0.0088 2668 ALA 63 O -0.0022 0.0021 0.0092 2669 ALA 63 CB -0.0050 0.0081 0.0181 2670 ASP 64 N 0.0146 -0.0022 0.0047 2671 ASP 64 CA 0.0164 -0.0022 0.0029 2672 ASP 64 C 0.0152 -0.0041 -0.0009 2673 ASP 64 O 0.0145 -0.0047 -0.0021 2674 ASP 64 CB 0.0211 -0.0007 0.0029 2675 ASP 64 CG 0.0237 0.0016 0.0066 2676 ASP 64 OD1 0.0216 0.0019 0.0093 2677 ASP 64 OD2 0.0264 0.0021 0.0056 2678 ALA 65 N 0.0146 -0.0051 -0.0031 2679 ALA 65 CA 0.0131 -0.0070 -0.0068 2680 ALA 65 C 0.0088 -0.0083 -0.0065 2681 ALA 65 O 0.0076 -0.0094 -0.0083 2682 ALA 65 CB 0.0122 -0.0080 -0.0086 2683 LEU 66 N 0.0062 -0.0078 -0.0029 2684 LEU 66 CA 0.0022 -0.0087 -0.0018 2685 LEU 66 C 0.0026 -0.0082 -0.0008 2686 LEU 66 O 0.0005 -0.0094 -0.0019 2687 LEU 66 CB -0.0002 -0.0084 0.0013 2688 LEU 66 CG -0.0016 -0.0095 -0.0005 2689 LEU 66 CD1 -0.0026 -0.0087 0.0027 2690 LEU 66 CD2 -0.0045 -0.0114 -0.0030 2691 THR 67 N 0.0065 -0.0085 0.0012 2692 THR 67 CA 0.0040 -0.0107 -0.0020 2693 THR 67 C 0.0019 -0.0089 -0.0055 2694 THR 67 O -0.0001 -0.0117 -0.0078 2695 THR 67 CB 0.0044 -0.0089 -0.0018 2696 THR 67 OG1 0.0063 -0.0109 0.0013 2697 THR 67 CG2 0.0016 -0.0106 -0.0056 2698 ASN 68 N 0.0020 -0.0042 -0.0061 2699 ASN 68 CA 0.0002 -0.0030 -0.0090 2700 ASN 68 C -0.0002 -0.0050 -0.0093 2701 ASN 68 O -0.0029 -0.0060 -0.0129 2702 ASN 68 CB 0.0006 0.0021 -0.0093 2703 ASN 68 CG -0.0015 0.0045 -0.0128 2704 ASN 68 OD1 -0.0032 0.0036 -0.0152 2705 ASN 68 ND2 -0.0005 0.0084 -0.0121 2706 ALA 69 N 0.0018 -0.0055 -0.0062 2707 ALA 69 CA 0.0015 -0.0081 -0.0061 2708 ALA 69 C -0.0002 -0.0130 -0.0077 2709 ALA 69 O -0.0015 -0.0141 -0.0094 2710 ALA 69 CB 0.0042 -0.0078 -0.0023 2711 VAL 70 N 0.0030 -0.0157 -0.0035 2712 VAL 70 CA 0.0021 -0.0221 -0.0062 2713 VAL 70 C -0.0015 -0.0213 -0.0127 2714 VAL 70 O -0.0019 -0.0255 -0.0141 2715 VAL 70 CB 0.0033 -0.0238 -0.0042 2716 VAL 70 CG1 0.0024 -0.0295 -0.0066 2717 VAL 70 CG2 0.0064 -0.0249 0.0014 2718 ALA 71 N -0.0024 -0.0179 -0.0141 2719 ALA 71 CA -0.0058 -0.0164 -0.0202 2720 ALA 71 C -0.0064 -0.0171 -0.0214 2721 ALA 71 O -0.0089 -0.0177 -0.0261 2722 ALA 71 CB -0.0066 -0.0126 -0.0211 2723 HIS 72 N -0.0055 -0.0144 -0.0192 2724 HIS 72 CA -0.0056 -0.0136 -0.0194 2725 HIS 72 C -0.0047 -0.0157 -0.0181 2726 HIS 72 O -0.0038 -0.0136 -0.0161 2727 HIS 72 CB -0.0063 -0.0059 -0.0196 2728 HIS 72 CG -0.0078 -0.0033 -0.0220 2729 HIS 72 ND1 -0.0114 -0.0013 -0.0284 2730 HIS 72 CD2 -0.0081 -0.0012 -0.0223 2731 HIS 72 CE1 -0.0119 0.0013 -0.0290 2732 HIS 72 NE2 -0.0105 0.0023 -0.0264 2733 VAL 73 N -0.0004 -0.0110 -0.0124 2734 VAL 73 CA 0.0011 -0.0123 -0.0104 2735 VAL 73 C 0.0005 -0.0121 -0.0113 2736 VAL 73 O 0.0021 -0.0120 -0.0090 2737 VAL 73 CB 0.0027 -0.0168 -0.0090 2738 VAL 73 CG1 0.0008 -0.0183 -0.0120 2739 VAL 73 CG2 0.0048 -0.0169 -0.0061 2740 ASP 74 N -0.0017 -0.0119 -0.0144 2741 ASP 74 CA -0.0025 -0.0117 -0.0154 2742 ASP 74 C -0.0027 -0.0079 -0.0151 2743 ASP 74 O -0.0035 -0.0079 -0.0161 2744 ASP 74 CB -0.0045 -0.0139 -0.0186 2745 ASP 74 CG -0.0046 -0.0175 -0.0194 2746 ASP 74 OD1 -0.0028 -0.0208 -0.0175 2747 ASP 74 OD2 -0.0054 -0.0193 -0.0209 2748 ASP 75 N -0.0027 -0.0055 -0.0146 2749 ASP 75 CA -0.0032 -0.0010 -0.0145 2750 ASP 75 C -0.0018 0.0006 -0.0123 2751 ASP 75 O -0.0024 0.0039 -0.0126 2752 ASP 75 CB -0.0057 0.0001 -0.0179 2753 ASP 75 CG -0.0072 0.0034 -0.0194 2754 ASP 75 OD1 -0.0067 0.0043 -0.0185 2755 ASP 75 OD2 -0.0078 0.0043 -0.0202 2756 MET 76 N 0.0003 0.0011 -0.0067 2757 MET 76 CA 0.0006 0.0028 -0.0050 2758 MET 76 C -0.0003 0.0061 -0.0026 2759 MET 76 O -0.0020 0.0076 -0.0024 2760 MET 76 CB 0.0049 0.0002 -0.0043 2761 MET 76 CG 0.0050 -0.0032 -0.0073 2762 MET 76 SD 0.0102 -0.0048 -0.0052 2763 MET 76 CE 0.0129 -0.0052 -0.0037 2764 PRO 77 N 0.0008 0.0077 -0.0005 2765 PRO 77 CA -0.0010 0.0115 0.0018 2766 PRO 77 C -0.0044 0.0138 0.0015 2767 PRO 77 O -0.0057 0.0162 0.0027 2768 PRO 77 CB 0.0009 0.0125 0.0039 2769 PRO 77 CG 0.0036 0.0096 0.0031 2770 PRO 77 CD 0.0022 0.0067 -0.0004 2771 ASN 78 N -0.0074 0.0133 -0.0011 2772 ASN 78 CA -0.0112 0.0142 -0.0029 2773 ASN 78 C -0.0125 0.0142 -0.0037 2774 ASN 78 O -0.0144 0.0158 -0.0036 2775 ASN 78 CB -0.0139 0.0146 -0.0043 2776 ASN 78 CG -0.0188 0.0170 -0.0055 2777 ASN 78 OD1 -0.0194 0.0199 -0.0033 2778 ASN 78 ND2 -0.0209 0.0153 -0.0085 2779 ALA 79 N -0.0019 0.0063 -0.0050 2780 ALA 79 CA -0.0024 0.0069 -0.0054 2781 ALA 79 C -0.0026 0.0077 -0.0039 2782 ALA 79 O -0.0033 0.0086 -0.0043 2783 ALA 79 CB -0.0018 0.0057 -0.0061 2784 LEU 80 N -0.0018 0.0072 -0.0025 2785 LEU 80 CA -0.0018 0.0079 -0.0010 2786 LEU 80 C -0.0020 0.0088 0.0004 2787 LEU 80 O -0.0020 0.0094 0.0017 2788 LEU 80 CB -0.0007 0.0068 -0.0001 2789 LEU 80 CG -0.0001 0.0055 -0.0011 2790 LEU 80 CD1 0.0009 0.0045 -0.0000 2791 LEU 80 CD2 -0.0009 0.0064 -0.0016 2792 SER 81 N -0.0026 0.0093 -0.0003 2793 SER 81 CA -0.0029 0.0102 0.0009 2794 SER 81 C -0.0036 0.0116 0.0017 2795 SER 81 O -0.0034 0.0120 0.0032 2796 SER 81 CB -0.0035 0.0106 -0.0005 2797 SER 81 OG -0.0034 0.0110 0.0008 2798 ALA 82 N 0.0066 0.0055 0.0027 2799 ALA 82 CA 0.0074 0.0057 0.0027 2800 ALA 82 C 0.0048 0.0061 0.0038 2801 ALA 82 O 0.0041 0.0058 0.0038 2802 ALA 82 CB 0.0106 0.0078 0.0036 2803 LEU 83 N 0.0022 0.0080 0.0063 2804 LEU 83 CA -0.0003 0.0085 0.0075 2805 LEU 83 C -0.0033 0.0061 0.0062 2806 LEU 83 O -0.0050 0.0057 0.0064 2807 LEU 83 CB -0.0020 0.0104 0.0097 2808 LEU 83 CG -0.0002 0.0133 0.0118 2809 LEU 83 CD1 -0.0025 0.0152 0.0142 2810 LEU 83 CD2 0.0003 0.0139 0.0122 2811 SER 84 N -0.0036 0.0044 0.0048 2812 SER 84 CA -0.0060 0.0019 0.0032 2813 SER 84 C -0.0050 0.0001 0.0013 2814 SER 84 O -0.0068 -0.0012 0.0007 2815 SER 84 CB -0.0070 -0.0008 0.0011 2816 SER 84 OG -0.0066 0.0009 0.0026 2817 ASP 85 N -0.0042 -0.0054 0.0002 2818 ASP 85 CA -0.0027 -0.0075 -0.0019 2819 ASP 85 C -0.0027 -0.0077 -0.0021 2820 ASP 85 O -0.0033 -0.0090 -0.0040 2821 ASP 85 CB 0.0005 -0.0082 -0.0015 2822 ASP 85 CG 0.0008 -0.0089 -0.0023 2823 ASP 85 OD1 -0.0008 -0.0093 -0.0034 2824 ASP 85 OD2 0.0039 -0.0089 -0.0012 2825 LEU 86 N -0.0022 -0.0058 0.0005 2826 LEU 86 CA -0.0019 -0.0057 0.0007 2827 LEU 86 C -0.0047 -0.0058 -0.0005 2828 LEU 86 O -0.0052 -0.0068 -0.0019 2829 LEU 86 CB -0.0008 -0.0037 0.0036 2830 LEU 86 CG 0.0002 -0.0035 0.0043 2831 LEU 86 CD1 0.0029 -0.0054 0.0028 2832 LEU 86 CD2 0.0008 -0.0015 0.0070 2833 HIS 87 N -0.0074 -0.0044 0.0003 2834 HIS 87 CA -0.0104 -0.0040 -0.0003 2835 HIS 87 C -0.0120 -0.0062 -0.0038 2836 HIS 87 O -0.0132 -0.0068 -0.0049 2837 HIS 87 CB -0.0133 -0.0020 0.0011 2838 HIS 87 CG -0.0125 0.0000 0.0039 2839 HIS 87 ND1 -0.0102 0.0008 0.0057 2840 HIS 87 CD2 -0.0137 0.0013 0.0051 2841 HIS 87 CE1 -0.0101 0.0026 0.0081 2842 HIS 87 NE2 -0.0121 0.0028 0.0076 2843 ALA 88 N -0.0119 -0.0084 -0.0045 2844 ALA 88 CA -0.0126 -0.0091 -0.0067 2845 ALA 88 C -0.0115 -0.0122 -0.0091 2846 ALA 88 O -0.0126 -0.0126 -0.0116 2847 ALA 88 CB -0.0126 -0.0084 -0.0058 2848 HIS 89 N -0.0092 -0.0138 -0.0074 2849 HIS 89 CA -0.0075 -0.0169 -0.0085 2850 HIS 89 C -0.0068 -0.0183 -0.0092 2851 HIS 89 O -0.0063 -0.0205 -0.0114 2852 HIS 89 CB -0.0058 -0.0178 -0.0068 2853 HIS 89 CG -0.0071 -0.0162 -0.0069 2854 HIS 89 ND1 -0.0086 -0.0160 -0.0093 2855 HIS 89 CD2 -0.0065 -0.0151 -0.0044 2856 HIS 89 CE1 -0.0090 -0.0144 -0.0077 2857 HIS 89 NE2 -0.0080 -0.0138 -0.0051 2858 LYS 90 N -0.0068 -0.0174 -0.0082 2859 LYS 90 CA -0.0057 -0.0187 -0.0080 2860 LYS 90 C -0.0075 -0.0175 -0.0096 2861 LYS 90 O -0.0081 -0.0186 -0.0121 2862 LYS 90 CB -0.0036 -0.0197 -0.0056 2863 LYS 90 CG -0.0033 -0.0209 -0.0068 2864 LYS 90 CD -0.0007 -0.0215 -0.0031 2865 LYS 90 CE 0.0002 -0.0240 -0.0049 2866 LYS 90 NZ 0.0034 -0.0264 -0.0026 2867 LEU 91 N -0.0042 -0.0094 -0.0037 2868 LEU 91 CA -0.0047 -0.0092 -0.0034 2869 LEU 91 C -0.0058 -0.0090 -0.0045 2870 LEU 91 O -0.0059 -0.0091 -0.0048 2871 LEU 91 CB -0.0052 -0.0087 -0.0019 2872 LEU 91 CG -0.0041 -0.0089 -0.0009 2873 LEU 91 CD1 -0.0048 -0.0084 0.0005 2874 LEU 91 CD2 -0.0031 -0.0092 -0.0007 2875 ARG 92 N -0.0068 -0.0088 -0.0049 2876 ARG 92 CA -0.0077 -0.0087 -0.0061 2877 ARG 92 C -0.0087 -0.0083 -0.0058 2878 ARG 92 O -0.0090 -0.0083 -0.0065 2879 ARG 92 CB -0.0070 -0.0092 -0.0075 2880 ARG 92 CG -0.0067 -0.0094 -0.0080 2881 ARG 92 CD -0.0058 -0.0100 -0.0093 2882 ARG 92 NE -0.0060 -0.0100 -0.0098 2883 ARG 92 CZ -0.0034 -0.0111 -0.0109 2884 ARG 92 NH1 -0.0028 -0.0110 -0.0092 2885 ARG 92 NH2 -0.0041 -0.0109 -0.0110 2886 VAL 93 N -0.0091 -0.0079 -0.0044 2887 VAL 93 CA -0.0101 -0.0074 -0.0039 2888 VAL 93 C -0.0115 -0.0071 -0.0046 2889 VAL 93 O -0.0121 -0.0069 -0.0045 2890 VAL 93 CB -0.0102 -0.0071 -0.0022 2891 VAL 93 CG1 -0.0112 -0.0066 -0.0017 2892 VAL 93 CG2 -0.0087 -0.0075 -0.0016 2893 ASP 94 N -0.0089 -0.0038 -0.0022 2894 ASP 94 CA -0.0110 -0.0034 -0.0031 2895 ASP 94 C -0.0124 -0.0025 -0.0015 2896 ASP 94 O -0.0125 -0.0019 0.0003 2897 ASP 94 CB -0.0123 -0.0034 -0.0042 2898 ASP 94 CG -0.0143 -0.0032 -0.0059 2899 ASP 94 OD1 -0.0143 -0.0038 -0.0076 2900 ASP 94 OD2 -0.0161 -0.0023 -0.0048 2901 PRO 95 N -0.0136 -0.0023 -0.0023 2902 PRO 95 CA -0.0151 -0.0013 -0.0007 2903 PRO 95 C -0.0166 -0.0006 0.0001 2904 PRO 95 O -0.0169 0.0002 0.0022 2905 PRO 95 CB -0.0162 -0.0014 -0.0021 2906 PRO 95 CG -0.0148 -0.0024 -0.0036 2907 PRO 95 CD -0.0137 -0.0030 -0.0044 2908 VAL 96 N -0.0175 -0.0005 -0.0005 2909 VAL 96 CA -0.0190 0.0003 0.0005 2910 VAL 96 C -0.0180 0.0007 0.0027 2911 VAL 96 O -0.0191 0.0016 0.0044 2912 VAL 96 CB -0.0196 0.0000 -0.0010 2913 VAL 96 CG1 -0.0204 -0.0003 -0.0031 2914 VAL 96 CG2 -0.0182 -0.0005 -0.0013 2915 ASN 97 N -0.0125 0.0075 0.0010 2916 ASN 97 CA -0.0125 0.0060 0.0011 2917 ASN 97 C -0.0128 0.0066 0.0030 2918 ASN 97 O -0.0128 0.0057 0.0029 2919 ASN 97 CB -0.0124 0.0037 0.0010 2920 ASN 97 CG -0.0120 0.0028 -0.0014 2921 ASN 97 OD1 -0.0117 0.0027 -0.0035 2922 ASN 97 ND2 -0.0120 0.0027 -0.0013 2923 PHE 98 N -0.0131 0.0074 0.0050 2924 PHE 98 CA -0.0135 0.0080 0.0071 2925 PHE 98 C -0.0134 0.0098 0.0065 2926 PHE 98 O -0.0135 0.0095 0.0074 2927 PHE 98 CB -0.0138 0.0087 0.0093 2928 PHE 98 CG -0.0139 0.0066 0.0102 2929 PHE 98 CD1 -0.0142 0.0052 0.0121 2930 PHE 98 CD2 -0.0138 0.0060 0.0091 2931 PHE 98 CE1 -0.0143 0.0032 0.0130 2932 PHE 98 CE2 -0.0139 0.0038 0.0103 2933 PHE 98 CZ -0.0142 0.0024 0.0123 2934 LYS 99 N -0.0132 0.0115 0.0049 2935 LYS 99 CA -0.0131 0.0132 0.0041 2936 LYS 99 C -0.0129 0.0122 0.0031 2937 LYS 99 O -0.0129 0.0130 0.0029 2938 LYS 99 CB -0.0129 0.0156 0.0029 2939 LYS 99 CG -0.0127 0.0158 0.0016 2940 LYS 99 CD -0.0125 0.0185 0.0001 2941 LYS 99 CE -0.0119 0.0171 -0.0034 2942 LYS 99 NZ -0.0116 0.0179 -0.0057 2943 LEU 100 N -0.0096 0.0127 0.0018 2944 LEU 100 CA -0.0098 0.0119 0.0002 2945 LEU 100 C -0.0103 0.0112 0.0004 2946 LEU 100 O -0.0101 0.0112 -0.0005 2947 LEU 100 CB -0.0102 0.0111 -0.0005 2948 LEU 100 CG -0.0098 0.0118 -0.0006 2949 LEU 100 CD1 -0.0102 0.0108 -0.0014 2950 LEU 100 CD2 -0.0089 0.0129 -0.0015 2951 LEU 101 N -0.0110 0.0104 0.0017 2952 LEU 101 CA -0.0114 0.0095 0.0018 2953 LEU 101 C -0.0109 0.0106 0.0023 2954 LEU 101 O -0.0110 0.0103 0.0017 2955 LEU 101 CB -0.0122 0.0086 0.0032 2956 LEU 101 CG -0.0127 0.0079 0.0036 2957 LEU 101 CD1 -0.0129 0.0071 0.0020 2958 LEU 101 CD2 -0.0135 0.0068 0.0048 2959 SER 102 N -0.0104 0.0118 0.0032 2960 SER 102 CA -0.0099 0.0127 0.0038 2961 SER 102 C -0.0093 0.0133 0.0021 2962 SER 102 O -0.0092 0.0134 0.0021 2963 SER 102 CB -0.0094 0.0139 0.0048 2964 SER 102 OG -0.0099 0.0135 0.0063 2965 HIS 103 N -0.0061 0.0095 -0.0010 2966 HIS 103 CA -0.0052 0.0092 -0.0019 2967 HIS 103 C -0.0054 0.0077 -0.0024 2968 HIS 103 O -0.0053 0.0071 -0.0027 2969 HIS 103 CB -0.0041 0.0098 -0.0028 2970 HIS 103 CG -0.0032 0.0096 -0.0038 2971 HIS 103 ND1 -0.0025 0.0086 -0.0049 2972 HIS 103 CD2 -0.0028 0.0100 -0.0041 2973 HIS 103 CE1 -0.0017 0.0088 -0.0056 2974 HIS 103 NE2 -0.0018 0.0095 -0.0052 2975 CYS 104 N -0.0056 0.0067 -0.0026 2976 CYS 104 CA -0.0058 0.0051 -0.0030 2977 CYS 104 C -0.0069 0.0044 -0.0023 2978 CYS 104 O -0.0068 0.0033 -0.0028 2979 CYS 104 CB -0.0058 0.0044 -0.0033 2980 CYS 104 SG -0.0044 0.0050 -0.0044 2981 LEU 105 N -0.0077 0.0050 -0.0012 2982 LEU 105 CA -0.0085 0.0044 -0.0006 2983 LEU 105 C -0.0082 0.0048 -0.0008 2984 LEU 105 O -0.0086 0.0038 -0.0008 2985 LEU 105 CB -0.0095 0.0050 0.0006 2986 LEU 105 CG -0.0107 0.0043 0.0015 2987 LEU 105 CD1 -0.0111 0.0030 0.0014 2988 LEU 105 CD2 -0.0112 0.0057 0.0025 2989 LEU 106 N -0.0033 0.0055 0.0009 2990 LEU 106 CA -0.0022 0.0056 0.0001 2991 LEU 106 C -0.0022 0.0054 -0.0009 2992 LEU 106 O -0.0019 0.0054 -0.0017 2993 LEU 106 CB -0.0011 0.0060 0.0008 2994 LEU 106 CG -0.0009 0.0063 0.0017 2995 LEU 106 CD1 0.0000 0.0066 0.0021 2996 LEU 106 CD2 -0.0008 0.0063 0.0015 2997 VAL 107 N -0.0023 0.0053 -0.0012 2998 VAL 107 CA -0.0024 0.0051 -0.0021 2999 VAL 107 C -0.0031 0.0048 -0.0030 3000 VAL 107 O -0.0030 0.0046 -0.0040 3001 VAL 107 CB -0.0026 0.0051 -0.0021 3002 VAL 107 CG1 -0.0027 0.0048 -0.0032 3003 VAL 107 CG2 -0.0016 0.0055 -0.0015 3004 THR 108 N -0.0041 0.0046 -0.0025 3005 THR 108 CA -0.0050 0.0043 -0.0032 3006 THR 108 C -0.0045 0.0043 -0.0035 3007 THR 108 O -0.0048 0.0040 -0.0045 3008 THR 108 CB -0.0060 0.0041 -0.0024 3009 THR 108 OG1 -0.0063 0.0041 -0.0020 3010 THR 108 CG2 -0.0070 0.0038 -0.0030 3011 LEU 109 N -0.0034 0.0018 0.0007 3012 LEU 109 CA -0.0030 0.0022 0.0010 3013 LEU 109 C -0.0018 0.0025 -0.0009 3014 LEU 109 O -0.0017 0.0024 -0.0016 3015 LEU 109 CB -0.0027 0.0032 0.0031 3016 LEU 109 CG -0.0042 0.0026 0.0049 3017 LEU 109 CD1 -0.0035 0.0039 0.0069 3018 LEU 109 CD2 -0.0055 0.0015 0.0045 3019 ALA 110 N -0.0003 0.0036 -0.0012 3020 ALA 110 CA 0.0013 0.0043 -0.0028 3021 ALA 110 C 0.0006 0.0031 -0.0045 3022 ALA 110 O 0.0014 0.0032 -0.0061 3023 ALA 110 CB 0.0025 0.0052 -0.0029 3024 ALA 111 N -0.0005 0.0020 -0.0052 3025 ALA 111 CA -0.0011 0.0009 -0.0071 3026 ALA 111 C -0.0021 0.0000 -0.0073 3027 ALA 111 O -0.0024 -0.0008 -0.0091 3028 ALA 111 CB -0.0021 0.0000 -0.0072 3029 HIS 112 N -0.0026 0.0038 -0.0023 3030 HIS 112 CA -0.0035 0.0043 -0.0046 3031 HIS 112 C -0.0013 0.0036 -0.0059 3032 HIS 112 O -0.0018 0.0040 -0.0082 3033 HIS 112 CB -0.0057 0.0050 -0.0037 3034 HIS 112 CG -0.0077 0.0056 -0.0035 3035 HIS 112 ND1 -0.0091 0.0058 -0.0003 3036 HIS 112 CD2 -0.0099 0.0065 -0.0048 3037 HIS 112 CE1 -0.0112 0.0066 -0.0007 3038 HIS 112 NE2 -0.0118 0.0070 -0.0035 3039 LEU 113 N 0.0007 0.0029 -0.0052 3040 LEU 113 CA 0.0030 0.0022 -0.0061 3041 LEU 113 C 0.0056 0.0013 -0.0063 3042 LEU 113 O 0.0071 0.0007 -0.0055 3043 LEU 113 CB 0.0033 0.0019 -0.0044 3044 LEU 113 CG 0.0014 0.0026 -0.0045 3045 LEU 113 CD1 0.0031 0.0018 -0.0021 3046 LEU 113 CD2 0.0001 0.0032 -0.0063 3047 PRO 114 N 0.0058 0.0014 -0.0081 3048 PRO 114 CA 0.0079 0.0007 -0.0088 3049 PRO 114 C 0.0106 -0.0001 -0.0098 3050 PRO 114 O 0.0122 -0.0008 -0.0077 3051 PRO 114 CB 0.0063 0.0014 -0.0098 3052 PRO 114 CG 0.0053 0.0019 -0.0122 3053 PRO 114 CD 0.0034 0.0024 -0.0100 3054 ALA 115 N 0.0079 0.0011 -0.0145 3055 ALA 115 CA 0.0092 0.0017 -0.0140 3056 ALA 115 C 0.0097 0.0021 -0.0120 3057 ALA 115 O 0.0116 0.0029 -0.0111 3058 ALA 115 CB 0.0092 0.0015 -0.0154 3059 GLU 116 N 0.0083 0.0017 -0.0101 3060 GLU 116 CA 0.0085 0.0020 -0.0076 3061 GLU 116 C 0.0091 0.0024 -0.0059 3062 GLU 116 O 0.0104 0.0031 -0.0043 3063 GLU 116 CB 0.0060 0.0012 -0.0065 3064 GLU 116 CG 0.0036 -0.0000 -0.0096 3065 GLU 116 CD 0.0044 0.0003 -0.0093 3066 GLU 116 OE1 0.0057 0.0009 -0.0085 3067 GLU 116 OE2 0.0035 -0.0003 -0.0117 3068 PHE 117 N 0.0089 0.0023 -0.0066 3069 PHE 117 CA 0.0099 0.0028 -0.0053 3070 PHE 117 C 0.0123 0.0037 -0.0055 3071 PHE 117 O 0.0129 0.0038 -0.0063 3072 PHE 117 CB 0.0084 0.0022 -0.0058 3073 PHE 117 CG 0.0081 0.0022 -0.0041 3074 PHE 117 CD1 0.0070 0.0020 -0.0018 3075 PHE 117 CD2 0.0092 0.0026 -0.0043 3076 PHE 117 CE1 0.0069 0.0022 0.0001 3077 PHE 117 CE2 0.0094 0.0029 -0.0026 3078 PHE 117 CZ 0.0081 0.0026 -0.0005 3079 THR 118 N 0.0122 0.0091 -0.0035 3080 THR 118 CA 0.0113 0.0094 -0.0036 3081 THR 118 C 0.0104 0.0063 -0.0036 3082 THR 118 O 0.0107 0.0043 -0.0036 3083 THR 118 CB 0.0146 0.0096 -0.0034 3084 THR 118 OG1 0.0156 0.0123 -0.0034 3085 THR 118 CG2 0.0163 0.0080 -0.0032 3086 PRO 119 N 0.0096 0.0063 -0.0037 3087 PRO 119 CA 0.0089 0.0035 -0.0037 3088 PRO 119 C 0.0113 0.0014 -0.0035 3089 PRO 119 O 0.0109 -0.0011 -0.0034 3090 PRO 119 CB 0.0078 0.0039 -0.0038 3091 PRO 119 CG 0.0065 0.0071 -0.0039 3092 PRO 119 CD 0.0085 0.0088 -0.0038 3093 ALA 120 N 0.0138 0.0022 -0.0033 3094 ALA 120 CA 0.0160 0.0003 -0.0031 3095 ALA 120 C 0.0169 -0.0006 -0.0030 3096 ALA 120 O 0.0178 -0.0032 -0.0029 3097 ALA 120 CB 0.0186 0.0016 -0.0029 3098 VAL 121 N 0.0137 -0.0012 -0.0019 3099 VAL 121 CA 0.0127 -0.0012 -0.0019 3100 VAL 121 C 0.0121 -0.0013 -0.0011 3101 VAL 121 O 0.0117 -0.0015 -0.0006 3102 VAL 121 CB 0.0123 -0.0010 -0.0027 3103 VAL 121 CG1 0.0113 -0.0010 -0.0026 3104 VAL 121 CG2 0.0129 -0.0009 -0.0031 3105 HIS 122 N 0.0122 -0.0013 -0.0013 3106 HIS 122 CA 0.0116 -0.0014 -0.0007 3107 HIS 122 C 0.0119 -0.0017 0.0003 3108 HIS 122 O 0.0113 -0.0018 0.0009 3109 HIS 122 CB 0.0118 -0.0013 -0.0011 3110 HIS 122 CG 0.0115 -0.0014 -0.0007 3111 HIS 122 ND1 0.0115 -0.0014 -0.0010 3112 HIS 122 CD2 0.0109 -0.0016 0.0002 3113 HIS 122 CE1 0.0111 -0.0015 -0.0004 3114 HIS 122 NE2 0.0106 -0.0016 0.0003 3115 ALA 123 N 0.0129 -0.0017 0.0005 3116 ALA 123 CA 0.0132 -0.0020 0.0015 3117 ALA 123 C 0.0129 -0.0020 0.0019 3118 ALA 123 O 0.0125 -0.0022 0.0026 3119 ALA 123 CB 0.0143 -0.0020 0.0014 3120 SER 124 N 0.0161 -0.0034 -0.0009 3121 SER 124 CA 0.0153 -0.0032 -0.0005 3122 SER 124 C 0.0149 -0.0034 -0.0005 3123 SER 124 O 0.0145 -0.0030 -0.0001 3124 SER 124 CB 0.0148 -0.0038 -0.0008 3125 SER 124 OG 0.0150 -0.0037 -0.0008 3126 LEU 125 N 0.0151 -0.0039 -0.0010 3127 LEU 125 CA 0.0148 -0.0040 -0.0009 3128 LEU 125 C 0.0151 -0.0035 -0.0007 3129 LEU 125 O 0.0147 -0.0032 -0.0003 3130 LEU 125 CB 0.0149 -0.0047 -0.0015 3131 LEU 125 CG 0.0143 -0.0053 -0.0017 3132 LEU 125 CD1 0.0147 -0.0059 -0.0023 3133 LEU 125 CD2 0.0134 -0.0053 -0.0015 3134 ASP 126 N 0.0159 -0.0032 -0.0007 3135 ASP 126 CA 0.0163 -0.0026 -0.0004 3136 ASP 126 C 0.0159 -0.0021 0.0001 3137 ASP 126 O 0.0158 -0.0016 0.0005 3138 ASP 126 CB 0.0172 -0.0026 -0.0006 3139 ASP 126 CG 0.0177 -0.0021 -0.0004 3140 ASP 126 OD1 0.0174 -0.0022 -0.0004 3141 ASP 126 OD2 0.0180 -0.0016 -0.0001 3142 LYS 127 N 0.0170 0.0029 -0.0044 3143 LYS 127 CA 0.0168 0.0039 -0.0021 3144 LYS 127 C 0.0148 0.0022 -0.0009 3145 LYS 127 O 0.0142 0.0024 0.0009 3146 LYS 127 CB 0.0175 0.0053 -0.0009 3147 LYS 127 CG 0.0193 0.0069 -0.0018 3148 LYS 127 CD 0.0201 0.0084 -0.0007 3149 LYS 127 CE 0.0195 0.0091 0.0020 3150 LYS 127 NZ 0.0205 0.0106 0.0029 3151 PHE 128 N 0.0140 0.0010 -0.0014 3152 PHE 128 CA 0.0123 -0.0003 -0.0002 3153 PHE 128 C 0.0113 -0.0018 -0.0008 3154 PHE 128 O 0.0102 -0.0020 0.0012 3155 PHE 128 CB 0.0114 -0.0017 -0.0008 3156 PHE 128 CG 0.0093 -0.0037 -0.0001 3157 PHE 128 CD1 0.0085 -0.0034 0.0023 3158 PHE 128 CD2 0.0090 -0.0049 -0.0019 3159 PHE 128 CE1 0.0068 -0.0053 0.0024 3160 PHE 128 CE2 0.0070 -0.0068 -0.0010 3161 PHE 128 CZ 0.0061 -0.0068 0.0010 3162 LEU 129 N 0.0118 -0.0023 -0.0029 3163 LEU 129 CA 0.0109 -0.0036 -0.0033 3164 LEU 129 C 0.0114 -0.0024 -0.0022 3165 LEU 129 O 0.0104 -0.0030 -0.0012 3166 LEU 129 CB 0.0114 -0.0042 -0.0057 3167 LEU 129 CG 0.0106 -0.0055 -0.0067 3168 LEU 129 CD1 0.0112 -0.0061 -0.0092 3169 LEU 129 CD2 0.0088 -0.0073 -0.0061 3170 ALA 130 N 0.0137 0.0006 -0.0037 3171 ALA 130 CA 0.0146 0.0016 -0.0010 3172 ALA 130 C 0.0130 0.0022 0.0007 3173 ALA 130 O 0.0121 0.0031 0.0032 3174 ALA 130 CB 0.0174 0.0018 -0.0005 3175 SER 131 N 0.0129 0.0019 -0.0003 3176 SER 131 CA 0.0114 0.0025 0.0016 3177 SER 131 C 0.0078 0.0024 0.0013 3178 SER 131 O 0.0070 0.0033 0.0037 3179 SER 131 CB 0.0115 0.0019 -0.0002 3180 SER 131 OG 0.0146 0.0020 0.0000 3181 VAL 132 N 0.0069 0.0017 -0.0007 3182 VAL 132 CA 0.0040 0.0016 -0.0007 3183 VAL 132 C 0.0035 0.0025 0.0015 3184 VAL 132 O 0.0015 0.0031 0.0033 3185 VAL 132 CB 0.0030 0.0008 -0.0031 3186 VAL 132 CG1 0.0001 0.0009 -0.0028 3187 VAL 132 CG2 0.0025 -0.0000 -0.0053 3188 SER 133 N -0.0019 0.0056 0.0043 3189 SER 133 CA -0.0027 0.0055 0.0065 3190 SER 133 C -0.0021 0.0045 0.0078 3191 SER 133 O -0.0036 0.0050 0.0094 3192 SER 133 CB -0.0025 0.0048 0.0077 3193 SER 133 OG -0.0035 0.0061 0.0065 3194 THR 134 N -0.0006 0.0033 0.0077 3195 THR 134 CA 0.0002 0.0023 0.0089 3196 THR 134 C -0.0005 0.0030 0.0084 3197 THR 134 O -0.0013 0.0030 0.0101 3198 THR 134 CB 0.0024 0.0008 0.0082 3199 THR 134 OG1 0.0029 0.0000 0.0091 3200 THR 134 CG2 0.0032 -0.0003 0.0092 3201 VAL 135 N -0.0005 0.0038 0.0064 3202 VAL 135 CA -0.0012 0.0045 0.0059 3203 VAL 135 C -0.0033 0.0056 0.0073 3204 VAL 135 O -0.0039 0.0058 0.0079 3205 VAL 135 CB -0.0009 0.0052 0.0033 3206 VAL 135 CG1 -0.0019 0.0063 0.0026 3207 VAL 135 CG2 0.0011 0.0040 0.0024 3208 LEU 136 N -0.0076 0.0037 0.0058 3209 LEU 136 CA -0.0073 0.0038 0.0057 3210 LEU 136 C -0.0085 0.0017 0.0048 3211 LEU 136 O -0.0080 0.0013 0.0045 3212 LEU 136 CB -0.0083 0.0056 0.0070 3213 LEU 136 CG -0.0067 0.0076 0.0078 3214 LEU 136 CD1 -0.0077 0.0092 0.0089 3215 LEU 136 CD2 -0.0043 0.0076 0.0073 3216 THR 137 N -0.0101 0.0006 0.0045 3217 THR 137 CA -0.0115 -0.0011 0.0038 3218 THR 137 C -0.0105 -0.0034 0.0024 3219 THR 137 O -0.0115 -0.0048 0.0018 3220 THR 137 CB -0.0143 -0.0011 0.0044 3221 THR 137 OG1 -0.0146 -0.0012 0.0044 3222 THR 137 CG2 -0.0149 0.0006 0.0054 3223 SER 138 N -0.0090 -0.0031 0.0022 3224 SER 138 CA -0.0082 -0.0049 0.0011 3225 SER 138 C -0.0072 -0.0067 -0.0001 3226 SER 138 O -0.0071 -0.0081 -0.0009 3227 SER 138 CB -0.0050 -0.0035 0.0013 3228 SER 138 OG -0.0067 -0.0042 0.0012 3229 LYS 139 N -0.0094 -0.0071 -0.0054 3230 LYS 139 CA -0.0085 -0.0079 -0.0062 3231 LYS 139 C -0.0086 -0.0083 -0.0073 3232 LYS 139 O -0.0078 -0.0090 -0.0079 3233 LYS 139 CB -0.0074 -0.0081 -0.0053 3234 LYS 139 CG -0.0075 -0.0078 -0.0046 3235 LYS 139 CD -0.0066 -0.0080 -0.0039 3236 LYS 139 CE -0.0065 -0.0077 -0.0031 3237 LYS 139 NZ -0.0054 -0.0079 -0.0021 3238 TYR 140 N -0.0093 -0.0080 -0.0074 3239 TYR 140 CA -0.0093 -0.0084 -0.0083 3240 TYR 140 C -0.0094 -0.0088 -0.0096 3241 TYR 140 O -0.0089 -0.0094 -0.0103 3242 TYR 140 CB -0.0103 -0.0078 -0.0082 3243 TYR 140 CG -0.0099 -0.0077 -0.0074 3244 TYR 140 CD1 -0.0101 -0.0077 -0.0077 3245 TYR 140 CD2 -0.0093 -0.0075 -0.0062 3246 TYR 140 CE1 -0.0098 -0.0075 -0.0069 3247 TYR 140 CE2 -0.0089 -0.0073 -0.0054 3248 TYR 140 CZ -0.0092 -0.0073 -0.0056 3249 TYR 140 OH -0.0089 -0.0072 -0.0050 3250 ARG 141 N -0.0101 -0.0086 -0.0099 3251 ARG 141 CA -0.0103 -0.0090 -0.0111 3252 ARG 141 C -0.0105 -0.0089 -0.0112 3253 ARG 141 O -0.0108 -0.0084 -0.0102 3254 ARG 141 CB -0.0112 -0.0089 -0.0120 3255 ARG 141 CG -0.0124 -0.0081 -0.0117 3256 ARG 141 CD -0.0130 -0.0082 -0.0128 3257 ARG 141 NE -0.0142 -0.0074 -0.0125 3258 ARG 141 CZ -0.0152 -0.0073 -0.0134 3259 ARG 141 NH1 -0.0151 -0.0077 -0.0144 3260 ARG 141 NH2 -0.0162 -0.0065 -0.0127 3261 ARG 141 OXT -0.0106 -0.0093 -0.0122 3262 VAL 1 N -0.0359 -0.0118 0.0060 3263 VAL 1 CA -0.0293 -0.0029 -0.0034 3264 VAL 1 C -0.0189 0.0058 0.0076 3265 VAL 1 O -0.0219 0.0007 0.0172 3266 VAL 1 CB -0.0307 -0.0034 -0.0082 3267 VAL 1 CG1 -0.0382 -0.0089 -0.0200 3268 VAL 1 CG2 -0.0337 -0.0078 -0.0022 3269 HIS 2 N -0.0164 0.0101 -0.0007 3270 HIS 2 CA -0.0085 0.0176 0.0034 3271 HIS 2 C -0.0058 0.0198 0.0066 3272 HIS 2 O -0.0023 0.0257 -0.0047 3273 HIS 2 CB -0.0004 0.0260 0.0041 3274 HIS 2 CG 0.0044 0.0297 0.0108 3275 HIS 2 ND1 0.0124 0.0405 -0.0016 3276 HIS 2 CD2 0.0111 0.0340 0.0244 3277 HIS 2 CE1 0.0205 0.0473 0.0074 3278 HIS 2 NE2 0.0166 0.0406 0.0203 3279 LEU 3 N -0.0051 0.0182 0.0182 3280 LEU 3 CA -0.0052 0.0183 0.0173 3281 LEU 3 C 0.0047 0.0280 0.0208 3282 LEU 3 O 0.0051 0.0254 0.0360 3283 LEU 3 CB -0.0098 0.0122 0.0233 3284 LEU 3 CG -0.0176 0.0061 0.0130 3285 LEU 3 CD1 -0.0227 -0.0002 0.0173 3286 LEU 3 CD2 -0.0172 0.0084 0.0036 3287 THR 4 N 0.0021 0.0198 0.0286 3288 THR 4 CA 0.0024 0.0062 0.0238 3289 THR 4 C 0.0069 -0.0032 0.0157 3290 THR 4 O 0.0042 0.0056 0.0216 3291 THR 4 CB -0.0093 -0.0067 0.0331 3292 THR 4 OG1 -0.0154 -0.0098 0.0391 3293 THR 4 CG2 -0.0121 -0.0017 0.0379 3294 PRO 5 N 0.0112 -0.0107 0.0084 3295 PRO 5 CA 0.0141 -0.0126 0.0045 3296 PRO 5 C 0.0051 -0.0225 0.0116 3297 PRO 5 O 0.0038 -0.0231 0.0129 3298 PRO 5 CB 0.0169 -0.0350 -0.0059 3299 PRO 5 CG 0.0192 -0.0326 -0.0078 3300 PRO 5 CD 0.0177 -0.0181 -0.0014 3301 GLU 6 N -0.0044 -0.0279 0.0207 3302 GLU 6 CA -0.0122 -0.0375 0.0266 3303 GLU 6 C -0.0200 -0.0184 0.0416 3304 GLU 6 O -0.0222 -0.0227 0.0427 3305 GLU 6 CB -0.0243 -0.0457 0.0378 3306 GLU 6 CG -0.0241 -0.0459 0.0375 3307 GLU 6 CD -0.0153 -0.0554 0.0244 3308 GLU 6 OE1 -0.0088 -0.0491 0.0190 3309 GLU 6 OE2 -0.0089 -0.0286 0.0257 3310 GLU 7 N -0.0098 0.0021 0.0273 3311 GLU 7 CA -0.0106 0.0046 0.0288 3312 GLU 7 C -0.0092 0.0060 0.0273 3313 GLU 7 O -0.0102 0.0065 0.0286 3314 GLU 7 CB -0.0103 0.0068 0.0288 3315 GLU 7 CG -0.0120 0.0055 0.0306 3316 GLU 7 CD -0.0114 0.0071 0.0302 3317 GLU 7 OE1 -0.0131 0.0076 0.0324 3318 GLU 7 OE2 -0.0101 0.0092 0.0290 3319 LYS 8 N -0.0077 0.0060 0.0255 3320 LYS 8 CA -0.0065 0.0076 0.0243 3321 LYS 8 C -0.0066 0.0063 0.0242 3322 LYS 8 O -0.0071 0.0068 0.0250 3323 LYS 8 CB -0.0044 0.0071 0.0217 3324 LYS 8 CG -0.0037 0.0094 0.0212 3325 LYS 8 CD -0.0021 0.0101 0.0195 3326 LYS 8 CE -0.0009 0.0113 0.0182 3327 LYS 8 NZ 0.0014 0.0129 0.0157 3328 SER 9 N -0.0070 0.0034 0.0242 3329 SER 9 CA -0.0076 0.0022 0.0247 3330 SER 9 C -0.0094 0.0023 0.0269 3331 SER 9 O -0.0095 0.0019 0.0269 3332 SER 9 CB -0.0070 -0.0007 0.0235 3333 SER 9 OG -0.0078 -0.0029 0.0240 3334 ALA 10 N 0.0017 0.0013 0.0117 3335 ALA 10 CA 0.0039 0.0018 0.0101 3336 ALA 10 C 0.0031 -0.0010 0.0095 3337 ALA 10 O 0.0039 -0.0004 0.0091 3338 ALA 10 CB 0.0051 0.0005 0.0086 3339 VAL 11 N 0.0017 -0.0031 0.0098 3340 VAL 11 CA 0.0012 -0.0056 0.0092 3341 VAL 11 C -0.0002 -0.0051 0.0105 3342 VAL 11 O 0.0005 -0.0056 0.0097 3343 VAL 11 CB -0.0002 -0.0078 0.0094 3344 VAL 11 CG1 -0.0010 -0.0097 0.0092 3345 VAL 11 CG2 0.0017 -0.0088 0.0074 3346 THR 12 N -0.0018 -0.0040 0.0122 3347 THR 12 CA -0.0036 -0.0036 0.0138 3348 THR 12 C -0.0025 -0.0017 0.0138 3349 THR 12 O -0.0025 -0.0018 0.0138 3350 THR 12 CB -0.0055 -0.0021 0.0161 3351 THR 12 OG1 -0.0067 -0.0050 0.0158 3352 THR 12 CG2 -0.0063 -0.0012 0.0171 3353 ALA 13 N 0.0055 -0.0026 0.0013 3354 ALA 13 CA 0.0067 -0.0014 0.0033 3355 ALA 13 C 0.0061 -0.0017 0.0030 3356 ALA 13 O 0.0049 -0.0015 0.0044 3357 ALA 13 CB 0.0088 -0.0004 0.0041 3358 LEU 14 N 0.0070 -0.0027 -0.0000 3359 LEU 14 CA 0.0065 -0.0031 -0.0006 3360 LEU 14 C 0.0034 -0.0042 -0.0007 3361 LEU 14 O 0.0027 -0.0040 0.0001 3362 LEU 14 CB 0.0086 -0.0037 -0.0037 3363 LEU 14 CG 0.0086 -0.0041 -0.0046 3364 LEU 14 CD1 0.0114 -0.0027 -0.0032 3365 LEU 14 CD2 0.0094 -0.0050 -0.0072 3366 TRP 15 N 0.0019 -0.0049 -0.0015 3367 TRP 15 CA -0.0011 -0.0062 -0.0021 3368 TRP 15 C -0.0029 -0.0055 0.0008 3369 TRP 15 O -0.0048 -0.0059 0.0012 3370 TRP 15 CB -0.0022 -0.0071 -0.0036 3371 TRP 15 CG -0.0049 -0.0085 -0.0047 3372 TRP 15 CD1 -0.0077 -0.0089 -0.0038 3373 TRP 15 CD2 -0.0050 -0.0095 -0.0072 3374 TRP 15 NE1 -0.0096 -0.0102 -0.0053 3375 TRP 15 CE2 -0.0083 -0.0108 -0.0076 3376 TRP 15 CE3 -0.0029 -0.0097 -0.0091 3377 TRP 15 CZ2 -0.0091 -0.0119 -0.0096 3378 TRP 15 CZ3 -0.0039 -0.0110 -0.0115 3379 TRP 15 CH2 -0.0072 -0.0120 -0.0114 3380 GLY 16 N 0.0023 -0.0009 -0.0037 3381 GLY 16 CA 0.0009 -0.0004 -0.0015 3382 GLY 16 C 0.0009 -0.0002 -0.0005 3383 GLY 16 O -0.0007 0.0001 0.0011 3384 LYS 17 N 0.0021 -0.0001 -0.0008 3385 LYS 17 CA 0.0026 0.0001 0.0001 3386 LYS 17 C 0.0011 -0.0002 -0.0007 3387 LYS 17 O 0.0005 -0.0003 -0.0010 3388 LYS 17 CB 0.0052 0.0004 0.0001 3389 LYS 17 CG 0.0064 0.0007 0.0012 3390 LYS 17 CD 0.0083 0.0009 0.0012 3391 LYS 17 CE 0.0107 0.0011 0.0009 3392 LYS 17 NZ 0.0114 0.0016 0.0028 3393 VAL 18 N 0.0000 -0.0009 -0.0030 3394 VAL 18 CA -0.0013 -0.0015 -0.0049 3395 VAL 18 C -0.0040 -0.0014 -0.0036 3396 VAL 18 O -0.0045 -0.0014 -0.0034 3397 VAL 18 CB -0.0014 -0.0020 -0.0069 3398 VAL 18 CG1 -0.0026 -0.0026 -0.0086 3399 VAL 18 CG2 0.0015 -0.0021 -0.0083 3400 ASN 19 N -0.0107 0.0093 -0.0043 3401 ASN 19 CA -0.0104 0.0110 -0.0043 3402 ASN 19 C -0.0106 0.0106 -0.0044 3403 ASN 19 O -0.0092 0.0100 -0.0028 3404 ASN 19 CB -0.0093 0.0126 -0.0033 3405 ASN 19 CG -0.0097 0.0151 -0.0043 3406 ASN 19 OD1 -0.0091 0.0152 -0.0037 3407 ASN 19 ND2 -0.0081 0.0166 -0.0027 3408 VAL 20 N -0.0114 0.0106 -0.0054 3409 VAL 20 CA -0.0113 0.0097 -0.0051 3410 VAL 20 C -0.0102 0.0102 -0.0040 3411 VAL 20 O -0.0094 0.0097 -0.0029 3412 VAL 20 CB -0.0134 0.0089 -0.0074 3413 VAL 20 CG1 -0.0138 0.0080 -0.0077 3414 VAL 20 CG2 -0.0126 0.0096 -0.0067 3415 ASP 21 N -0.0100 0.0125 -0.0042 3416 ASP 21 CA -0.0085 0.0136 -0.0026 3417 ASP 21 C -0.0075 0.0135 -0.0014 3418 ASP 21 O -0.0066 0.0126 -0.0002 3419 ASP 21 CB -0.0085 0.0160 -0.0031 3420 ASP 21 CG -0.0101 0.0169 -0.0052 3421 ASP 21 OD1 -0.0112 0.0160 -0.0063 3422 ASP 21 OD2 -0.0098 0.0188 -0.0052 3423 GLU 22 N -0.0085 0.0157 -0.0040 3424 GLU 22 CA -0.0071 0.0154 -0.0030 3425 GLU 22 C -0.0071 0.0130 -0.0024 3426 GLU 22 O -0.0060 0.0125 -0.0014 3427 GLU 22 CB -0.0071 0.0163 -0.0031 3428 GLU 22 CG -0.0069 0.0156 -0.0028 3429 GLU 22 CD -0.0054 0.0163 -0.0019 3430 GLU 22 OE1 -0.0063 0.0162 -0.0025 3431 GLU 22 OE2 -0.0048 0.0178 -0.0018 3432 VAL 23 N -0.0081 0.0122 -0.0030 3433 VAL 23 CA -0.0082 0.0101 -0.0026 3434 VAL 23 C -0.0082 0.0094 -0.0024 3435 VAL 23 O -0.0075 0.0081 -0.0016 3436 VAL 23 CB -0.0097 0.0093 -0.0035 3437 VAL 23 CG1 -0.0098 0.0075 -0.0032 3438 VAL 23 CG2 -0.0092 0.0100 -0.0033 3439 GLY 24 N -0.0090 0.0099 -0.0031 3440 GLY 24 CA -0.0091 0.0093 -0.0031 3441 GLY 24 C -0.0077 0.0096 -0.0020 3442 GLY 24 O -0.0070 0.0084 -0.0013 3443 GLY 25 N -0.0080 0.0090 -0.0018 3444 GLY 25 CA -0.0069 0.0083 -0.0026 3445 GLY 25 C -0.0055 0.0085 -0.0033 3446 GLY 25 O -0.0048 0.0072 -0.0040 3447 GLU 26 N -0.0051 0.0098 -0.0032 3448 GLU 26 CA -0.0037 0.0100 -0.0039 3449 GLU 26 C -0.0036 0.0086 -0.0043 3450 GLU 26 O -0.0025 0.0079 -0.0051 3451 GLU 26 CB -0.0031 0.0118 -0.0038 3452 GLU 26 CG -0.0012 0.0127 -0.0046 3453 GLU 26 CD -0.0014 0.0121 -0.0047 3454 GLU 26 OE1 0.0005 0.0125 -0.0056 3455 GLU 26 OE2 -0.0013 0.0142 -0.0042 3456 ALA 27 N -0.0048 0.0086 -0.0037 3457 ALA 27 CA -0.0050 0.0074 -0.0039 3458 ALA 27 C -0.0050 0.0057 -0.0044 3459 ALA 27 O -0.0041 0.0047 -0.0051 3460 ALA 27 CB -0.0063 0.0078 -0.0031 3461 LEU 28 N -0.0032 0.0055 0.0004 3462 LEU 28 CA -0.0035 0.0046 0.0000 3463 LEU 28 C -0.0029 0.0044 -0.0006 3464 LEU 28 O -0.0028 0.0038 -0.0012 3465 LEU 28 CB -0.0043 0.0043 0.0004 3466 LEU 28 CG -0.0046 0.0033 0.0000 3467 LEU 28 CD1 -0.0046 0.0030 -0.0002 3468 LEU 28 CD2 -0.0053 0.0030 0.0004 3469 GLY 29 N -0.0027 0.0049 -0.0005 3470 GLY 29 CA -0.0021 0.0048 -0.0011 3471 GLY 29 C -0.0014 0.0048 -0.0017 3472 GLY 29 O -0.0011 0.0043 -0.0023 3473 ARG 30 N -0.0012 0.0055 -0.0014 3474 ARG 30 CA -0.0005 0.0056 -0.0020 3475 ARG 30 C -0.0006 0.0049 -0.0023 3476 ARG 30 O -0.0001 0.0047 -0.0029 3477 ARG 30 CB -0.0001 0.0065 -0.0016 3478 ARG 30 CG 0.0003 0.0072 -0.0015 3479 ARG 30 CD 0.0006 0.0079 -0.0012 3480 ARG 30 NE 0.0009 0.0085 -0.0010 3481 ARG 30 CZ 0.0015 0.0089 -0.0013 3482 ARG 30 NH1 0.0018 0.0096 -0.0011 3483 ARG 30 NH2 0.0022 0.0089 -0.0019 3484 LEU 31 N -0.0001 0.0016 0.0058 3485 LEU 31 CA -0.0001 0.0018 0.0053 3486 LEU 31 C -0.0008 0.0015 0.0043 3487 LEU 31 O -0.0008 0.0018 0.0035 3488 LEU 31 CB 0.0001 0.0017 0.0059 3489 LEU 31 CG 0.0001 0.0020 0.0054 3490 LEU 31 CD1 0.0009 0.0029 0.0052 3491 LEU 31 CD2 -0.0000 0.0015 0.0060 3492 LEU 32 N -0.0014 0.0006 0.0047 3493 LEU 32 CA -0.0021 0.0002 0.0040 3494 LEU 32 C -0.0023 0.0004 0.0032 3495 LEU 32 O -0.0028 0.0002 0.0023 3496 LEU 32 CB -0.0027 -0.0006 0.0045 3497 LEU 32 CG -0.0027 -0.0008 0.0050 3498 LEU 32 CD1 -0.0033 -0.0017 0.0057 3499 LEU 32 CD2 -0.0026 -0.0007 0.0048 3500 VAL 33 N -0.0020 0.0006 0.0034 3501 VAL 33 CA -0.0021 0.0008 0.0027 3502 VAL 33 C -0.0017 0.0016 0.0019 3503 VAL 33 O -0.0019 0.0017 0.0011 3504 VAL 33 CB -0.0020 0.0007 0.0033 3505 VAL 33 CG1 -0.0020 0.0010 0.0025 3506 VAL 33 CG2 -0.0026 -0.0002 0.0037 3507 VAL 34 N 0.0008 0.0006 0.0070 3508 VAL 34 CA 0.0012 0.0010 0.0067 3509 VAL 34 C 0.0012 0.0027 0.0056 3510 VAL 34 O 0.0011 0.0033 0.0053 3511 VAL 34 CB 0.0029 -0.0001 0.0069 3512 VAL 34 CG1 0.0035 0.0004 0.0063 3513 VAL 34 CG2 0.0025 -0.0018 0.0080 3514 TYR 35 N 0.0020 0.0033 0.0050 3515 TYR 35 CA 0.0023 0.0050 0.0039 3516 TYR 35 C 0.0013 0.0057 0.0038 3517 TYR 35 O 0.0021 0.0060 0.0033 3518 TYR 35 CB 0.0042 0.0051 0.0033 3519 TYR 35 CG 0.0053 0.0042 0.0035 3520 TYR 35 CD1 0.0052 0.0047 0.0032 3521 TYR 35 CD2 0.0064 0.0030 0.0039 3522 TYR 35 CE1 0.0061 0.0040 0.0033 3523 TYR 35 CE2 0.0073 0.0022 0.0041 3524 TYR 35 CZ 0.0072 0.0027 0.0038 3525 TYR 35 OH 0.0082 0.0017 0.0041 3526 PRO 36 N -0.0004 0.0061 0.0041 3527 PRO 36 CA -0.0015 0.0066 0.0041 3528 PRO 36 C -0.0013 0.0081 0.0031 3529 PRO 36 O -0.0017 0.0082 0.0031 3530 PRO 36 CB -0.0034 0.0065 0.0047 3531 PRO 36 CG -0.0032 0.0065 0.0046 3532 PRO 36 CD -0.0015 0.0060 0.0044 3533 TRP 37 N -0.0048 0.0065 0.0085 3534 TRP 37 CA -0.0044 0.0076 0.0080 3535 TRP 37 C -0.0025 0.0068 0.0093 3536 TRP 37 O -0.0024 0.0070 0.0093 3537 TRP 37 CB -0.0034 0.0103 0.0068 3538 TRP 37 CG -0.0012 0.0110 0.0073 3539 TRP 37 CD1 0.0013 0.0116 0.0080 3540 TRP 37 CD2 -0.0013 0.0116 0.0069 3541 TRP 37 NE1 0.0027 0.0124 0.0082 3542 TRP 37 CE2 0.0011 0.0120 0.0077 3543 TRP 37 CE3 -0.0033 0.0111 0.0064 3544 TRP 37 CZ2 0.0019 0.0128 0.0076 3545 TRP 37 CZ3 -0.0027 0.0114 0.0064 3546 TRP 37 CH2 -0.0002 0.0124 0.0069 3547 THR 38 N -0.0010 0.0055 0.0107 3548 THR 38 CA 0.0009 0.0043 0.0122 3549 THR 38 C -0.0006 0.0024 0.0128 3550 THR 38 O 0.0007 0.0015 0.0139 3551 THR 38 CB 0.0025 0.0032 0.0136 3552 THR 38 OG1 0.0011 0.0015 0.0140 3553 THR 38 CG2 0.0042 0.0053 0.0131 3554 GLN 39 N -0.0031 0.0015 0.0122 3555 GLN 39 CA -0.0044 -0.0004 0.0129 3556 GLN 39 C -0.0048 0.0005 0.0122 3557 GLN 39 O -0.0052 -0.0008 0.0127 3558 GLN 39 CB -0.0072 -0.0008 0.0119 3559 GLN 39 CG -0.0069 -0.0020 0.0127 3560 GLN 39 CD -0.0095 -0.0026 0.0120 3561 GLN 39 OE1 -0.0118 -0.0026 0.0110 3562 GLN 39 NE2 -0.0098 -0.0031 0.0122 3563 ARG 40 N -0.0041 0.0044 0.0136 3564 ARG 40 CA -0.0048 0.0075 0.0110 3565 ARG 40 C -0.0045 0.0085 0.0085 3566 ARG 40 O -0.0056 0.0123 0.0063 3567 ARG 40 CB -0.0032 0.0061 0.0082 3568 ARG 40 CG -0.0015 0.0044 0.0054 3569 ARG 40 CD -0.0007 0.0035 0.0042 3570 ARG 40 NE -0.0015 0.0061 0.0028 3571 ARG 40 CZ -0.0017 0.0088 -0.0007 3572 ARG 40 NH1 -0.0003 0.0076 -0.0032 3573 ARG 40 NH2 -0.0027 0.0111 -0.0010 3574 PHE 41 N -0.0031 0.0065 0.0072 3575 PHE 41 CA -0.0026 0.0075 0.0042 3576 PHE 41 C -0.0042 0.0093 0.0064 3577 PHE 41 O -0.0035 0.0098 0.0035 3578 PHE 41 CB -0.0003 0.0044 0.0017 3579 PHE 41 CG 0.0012 0.0027 -0.0004 3580 PHE 41 CD1 0.0021 -0.0006 0.0018 3581 PHE 41 CD2 0.0012 0.0047 -0.0035 3582 PHE 41 CE1 0.0032 -0.0011 -0.0010 3583 PHE 41 CE2 0.0023 0.0038 -0.0055 3584 PHE 41 CZ 0.0033 0.0003 -0.0035 3585 PHE 42 N -0.0052 0.0090 0.0100 3586 PHE 42 CA -0.0058 0.0092 0.0116 3587 PHE 42 C -0.0082 0.0124 0.0141 3588 PHE 42 O -0.0093 0.0122 0.0177 3589 PHE 42 CB -0.0050 0.0059 0.0140 3590 PHE 42 CG -0.0026 0.0031 0.0109 3591 PHE 42 CD1 -0.0011 -0.0003 0.0115 3592 PHE 42 CD2 -0.0018 0.0031 0.0084 3593 PHE 42 CE1 0.0010 -0.0028 0.0085 3594 PHE 42 CE2 0.0002 0.0007 0.0059 3595 PHE 42 CZ 0.0017 -0.0026 0.0061 3596 GLU 43 N -0.0141 0.0414 0.0210 3597 GLU 43 CA -0.0216 0.0410 0.0207 3598 GLU 43 C -0.0173 0.0320 0.0179 3599 GLU 43 O -0.0236 0.0303 0.0172 3600 GLU 43 CB -0.0194 0.0480 0.0230 3601 GLU 43 CG -0.0172 0.0531 0.0246 3602 GLU 43 CD -0.0285 0.0616 0.0271 3603 GLU 43 OE1 -0.0400 0.0579 0.0256 3604 GLU 43 OE2 -0.0333 0.0729 0.0306 3605 SER 44 N -0.0068 0.0300 0.0176 3606 SER 44 CA 0.0002 0.0230 0.0155 3607 SER 44 C -0.0041 0.0138 0.0125 3608 SER 44 O -0.0015 0.0051 0.0098 3609 SER 44 CB 0.0109 0.0227 0.0157 3610 SER 44 OG 0.0156 0.0193 0.0147 3611 PHE 45 N -0.0114 0.0096 0.0109 3612 PHE 45 CA -0.0140 -0.0009 0.0075 3613 PHE 45 C -0.0245 -0.0058 0.0057 3614 PHE 45 O -0.0245 -0.0154 0.0027 3615 PHE 45 CB -0.0170 0.0003 0.0078 3616 PHE 45 CG -0.0070 -0.0008 0.0077 3617 PHE 45 CD1 -0.0089 -0.0046 0.0065 3618 PHE 45 CD2 0.0025 0.0014 0.0087 3619 PHE 45 CE1 0.0018 -0.0051 0.0066 3620 PHE 45 CE2 0.0112 0.0020 0.0091 3621 PHE 45 CZ 0.0120 -0.0021 0.0078 3622 GLY 46 N -0.0234 -0.0039 0.0092 3623 GLY 46 CA -0.0161 0.0007 0.0089 3624 GLY 46 C -0.0070 -0.0013 0.0106 3625 GLY 46 O -0.0096 -0.0098 0.0126 3626 ASP 47 N -0.0048 0.0057 0.0091 3627 ASP 47 CA 0.0057 -0.0021 0.0125 3628 ASP 47 C -0.0021 -0.0003 0.0110 3629 ASP 47 O -0.0053 0.0075 0.0085 3630 ASP 47 CB 0.0087 0.0097 0.0097 3631 ASP 47 CG 0.0175 0.0077 0.0114 3632 ASP 47 OD1 0.0199 0.0157 0.0096 3633 ASP 47 OD2 0.0196 0.0003 0.0137 3634 LEU 48 N -0.0003 -0.0075 0.0132 3635 LEU 48 CA -0.0054 -0.0102 0.0132 3636 LEU 48 C 0.0024 -0.0125 0.0149 3637 LEU 48 O 0.0007 -0.0187 0.0163 3638 LEU 48 CB -0.0100 -0.0173 0.0146 3639 LEU 48 CG -0.0183 -0.0130 0.0123 3640 LEU 48 CD1 -0.0255 -0.0218 0.0138 3641 LEU 48 CD2 -0.0229 -0.0052 0.0097 3642 SER 49 N 0.0307 -0.0223 0.0295 3643 SER 49 CA 0.0356 -0.0290 0.0390 3644 SER 49 C 0.0333 -0.0245 0.0326 3645 SER 49 O 0.0269 -0.0306 0.0401 3646 SER 49 CB 0.0526 -0.0272 0.0385 3647 SER 49 OG 0.0571 -0.0184 0.0272 3648 THR 50 N 0.0294 -0.0166 0.0217 3649 THR 50 CA 0.0182 -0.0174 0.0214 3650 THR 50 C 0.0066 -0.0096 0.0097 3651 THR 50 O 0.0053 -0.0069 0.0059 3652 THR 50 CB 0.0315 -0.0066 0.0085 3653 THR 50 OG1 0.0333 0.0021 -0.0030 3654 THR 50 CG2 0.0448 -0.0105 0.0152 3655 PRO 51 N -0.0016 -0.0081 0.0067 3656 PRO 51 CA -0.0132 -0.0034 -0.0009 3657 PRO 51 C -0.0125 0.0045 -0.0113 3658 PRO 51 O -0.0203 0.0081 -0.0171 3659 PRO 51 CB -0.0197 -0.0027 -0.0025 3660 PRO 51 CG -0.0160 -0.0106 0.0085 3661 PRO 51 CD 0.0008 -0.0125 0.0128 3662 ASP 52 N 0.0014 0.0056 -0.0175 3663 ASP 52 CA 0.0007 0.0107 -0.0216 3664 ASP 52 C 0.0015 0.0063 -0.0182 3665 ASP 52 O -0.0010 0.0095 -0.0198 3666 ASP 52 CB 0.0072 0.0118 -0.0257 3667 ASP 52 CG 0.0083 0.0161 -0.0300 3668 ASP 52 OD1 0.0026 0.0179 -0.0288 3669 ASP 52 OD2 0.0111 0.0074 -0.0239 3670 ALA 53 N 0.0058 0.0015 -0.0161 3671 ALA 53 CA 0.0071 -0.0024 -0.0135 3672 ALA 53 C -0.0005 -0.0032 -0.0090 3673 ALA 53 O -0.0031 -0.0022 -0.0087 3674 ALA 53 CB 0.0105 -0.0079 -0.0105 3675 VAL 54 N -0.0042 -0.0055 -0.0053 3676 VAL 54 CA -0.0120 -0.0054 -0.0016 3677 VAL 54 C -0.0160 0.0001 -0.0044 3678 VAL 54 O -0.0198 0.0010 -0.0033 3679 VAL 54 CB -0.0142 -0.0077 0.0015 3680 VAL 54 CG1 -0.0223 -0.0071 0.0049 3681 VAL 54 CG2 -0.0110 -0.0128 0.0043 3682 MET 55 N -0.0138 0.0001 -0.0132 3683 MET 55 CA -0.0135 0.0007 -0.0119 3684 MET 55 C -0.0134 -0.0018 -0.0112 3685 MET 55 O -0.0131 -0.0013 -0.0095 3686 MET 55 CB -0.0138 0.0025 -0.0134 3687 MET 55 CG -0.0138 0.0043 -0.0136 3688 MET 55 SD -0.0134 0.0063 -0.0117 3689 MET 55 CE -0.0130 0.0069 -0.0101 3690 GLY 56 N -0.0138 -0.0032 -0.0129 3691 GLY 56 CA -0.0136 -0.0047 -0.0119 3692 GLY 56 C -0.0134 -0.0064 -0.0105 3693 GLY 56 O -0.0133 -0.0086 -0.0100 3694 ASN 57 N -0.0133 -0.0067 -0.0101 3695 ASN 57 CA -0.0131 -0.0082 -0.0089 3696 ASN 57 C -0.0126 -0.0081 -0.0066 3697 ASN 57 O -0.0122 -0.0068 -0.0050 3698 ASN 57 CB -0.0131 -0.0075 -0.0092 3699 ASN 57 CG -0.0129 -0.0090 -0.0079 3700 ASN 57 OD1 -0.0125 -0.0097 -0.0059 3701 ASN 57 ND2 -0.0131 -0.0094 -0.0091 3702 PRO 58 N -0.0075 -0.0232 -0.0124 3703 PRO 58 CA -0.0049 -0.0245 -0.0090 3704 PRO 58 C -0.0027 -0.0222 -0.0028 3705 PRO 58 O -0.0015 -0.0210 0.0005 3706 PRO 58 CB -0.0019 -0.0311 -0.0095 3707 PRO 58 CG -0.0054 -0.0294 -0.0143 3708 PRO 58 CD -0.0055 -0.0297 -0.0148 3709 LYS 59 N -0.0022 -0.0218 -0.0014 3710 LYS 59 CA -0.0005 -0.0197 0.0035 3711 LYS 59 C -0.0027 -0.0128 0.0059 3712 LYS 59 O -0.0007 -0.0116 0.0105 3713 LYS 59 CB 0.0009 -0.0208 0.0050 3714 LYS 59 CG 0.0038 -0.0264 0.0053 3715 LYS 59 CD 0.0039 -0.0272 0.0046 3716 LYS 59 CE 0.0082 -0.0312 0.0089 3717 LYS 59 NZ 0.0084 -0.0366 0.0043 3718 VAL 60 N -0.0061 -0.0111 0.0012 3719 VAL 60 CA -0.0087 -0.0048 0.0022 3720 VAL 60 C -0.0080 -0.0043 0.0039 3721 VAL 60 O -0.0080 -0.0007 0.0072 3722 VAL 60 CB -0.0123 -0.0024 -0.0021 3723 VAL 60 CG1 -0.0147 0.0031 -0.0015 3724 VAL 60 CG2 -0.0124 -0.0030 -0.0029 3725 LYS 61 N -0.0064 -0.0060 -0.0037 3726 LYS 61 CA -0.0058 -0.0071 -0.0041 3727 LYS 61 C -0.0022 -0.0077 -0.0005 3728 LYS 61 O -0.0020 -0.0056 0.0019 3729 LYS 61 CB -0.0064 -0.0107 -0.0086 3730 LYS 61 CG -0.0106 -0.0098 -0.0127 3731 LYS 61 CD -0.0103 -0.0135 -0.0161 3732 LYS 61 CE -0.0146 -0.0135 -0.0213 3733 LYS 61 NZ -0.0141 -0.0172 -0.0244 3734 ALA 62 N 0.0013 -0.0103 0.0011 3735 ALA 62 CA 0.0054 -0.0113 0.0050 3736 ALA 62 C 0.0058 -0.0073 0.0095 3737 ALA 62 O 0.0069 -0.0064 0.0118 3738 ALA 62 CB 0.0085 -0.0147 0.0051 3739 HIS 63 N 0.0040 -0.0047 0.0100 3740 HIS 63 CA 0.0042 -0.0007 0.0143 3741 HIS 63 C 0.0009 0.0029 0.0141 3742 HIS 63 O 0.0022 0.0052 0.0179 3743 HIS 63 CB 0.0037 0.0009 0.0154 3744 HIS 63 CG 0.0045 0.0047 0.0202 3745 HIS 63 ND1 0.0081 0.0036 0.0234 3746 HIS 63 CD2 0.0011 0.0092 0.0207 3747 HIS 63 CE1 0.0067 0.0088 0.0270 3748 HIS 63 NE2 0.0037 0.0103 0.0249 3749 GLY 64 N -0.0041 0.0066 0.0098 3750 GLY 64 CA -0.0073 0.0074 0.0092 3751 GLY 64 C -0.0070 0.0066 0.0081 3752 GLY 64 O -0.0077 0.0078 0.0094 3753 LYS 65 N -0.0039 0.0039 0.0060 3754 LYS 65 CA -0.0026 0.0030 0.0053 3755 LYS 65 C -0.0001 0.0040 0.0084 3756 LYS 65 O -0.0007 0.0043 0.0086 3757 LYS 65 CB -0.0001 0.0000 0.0024 3758 LYS 65 CG 0.0010 -0.0007 0.0020 3759 LYS 65 CD 0.0049 -0.0044 -0.0011 3760 LYS 65 CE 0.0074 -0.0048 -0.0002 3761 LYS 65 NZ 0.0087 -0.0078 -0.0038 3762 LYS 66 N 0.0024 0.0046 0.0107 3763 LYS 66 CA 0.0051 0.0056 0.0138 3764 LYS 66 C 0.0019 0.0079 0.0155 3765 LYS 66 O 0.0028 0.0088 0.0173 3766 LYS 66 CB 0.0076 0.0058 0.0156 3767 LYS 66 CG 0.0099 0.0063 0.0179 3768 LYS 66 CD 0.0150 0.0042 0.0178 3769 LYS 66 CE 0.0182 0.0052 0.0212 3770 LYS 66 NZ 0.0218 0.0062 0.0247 3771 VAL 67 N 0.0021 0.0100 0.0103 3772 VAL 67 CA -0.0012 0.0085 0.0123 3773 VAL 67 C -0.0044 0.0070 0.0100 3774 VAL 67 O -0.0065 0.0059 0.0099 3775 VAL 67 CB -0.0010 0.0086 0.0168 3776 VAL 67 CG1 -0.0054 0.0066 0.0179 3777 VAL 67 CG2 0.0024 0.0102 0.0194 3778 LEU 68 N -0.0053 0.0065 0.0076 3779 LEU 68 CA -0.0088 0.0048 0.0055 3780 LEU 68 C -0.0089 0.0048 0.0015 3781 LEU 68 O -0.0114 0.0036 -0.0001 3782 LEU 68 CB -0.0104 0.0041 0.0037 3783 LEU 68 CG -0.0137 0.0026 0.0048 3784 LEU 68 CD1 -0.0161 0.0015 0.0072 3785 LEU 68 CD2 -0.0145 0.0022 0.0035 3786 GLY 69 N -0.0051 0.0065 -0.0001 3787 GLY 69 CA -0.0045 0.0067 -0.0030 3788 GLY 69 C -0.0056 0.0062 -0.0021 3789 GLY 69 O -0.0076 0.0053 -0.0040 3790 ALA 70 N 0.0023 0.0061 -0.0070 3791 ALA 70 CA 0.0023 0.0059 -0.0078 3792 ALA 70 C -0.0002 0.0024 -0.0071 3793 ALA 70 O -0.0009 0.0005 -0.0092 3794 ALA 70 CB 0.0036 0.0088 -0.0049 3795 PHE 71 N -0.0019 0.0010 -0.0041 3796 PHE 71 CA -0.0049 -0.0030 -0.0032 3797 PHE 71 C -0.0056 -0.0056 -0.0072 3798 PHE 71 O -0.0066 -0.0075 -0.0084 3799 PHE 71 CB -0.0063 -0.0035 0.0008 3800 PHE 71 CG -0.0091 -0.0073 0.0017 3801 PHE 71 CD1 -0.0101 -0.0073 0.0050 3802 PHE 71 CD2 -0.0102 -0.0097 -0.0005 3803 PHE 71 CE1 -0.0126 -0.0109 0.0055 3804 PHE 71 CE2 -0.0128 -0.0131 0.0007 3805 PHE 71 CZ -0.0139 -0.0136 0.0037 3806 SER 72 N -0.0045 -0.0047 -0.0091 3807 SER 72 CA -0.0047 -0.0065 -0.0127 3808 SER 72 C -0.0046 -0.0075 -0.0158 3809 SER 72 O -0.0058 -0.0103 -0.0184 3810 SER 72 CB -0.0047 -0.0074 -0.0152 3811 SER 72 OG -0.0049 -0.0064 -0.0117 3812 ASP 73 N 0.0083 -0.0048 -0.0221 3813 ASP 73 CA 0.0094 -0.0043 -0.0231 3814 ASP 73 C 0.0064 -0.0060 -0.0220 3815 ASP 73 O 0.0036 -0.0083 -0.0247 3816 ASP 73 CB 0.0181 0.0010 -0.0237 3817 ASP 73 CG 0.0191 0.0005 -0.0290 3818 ASP 73 OD1 0.0220 0.0015 -0.0329 3819 ASP 73 OD2 0.0291 0.0077 -0.0249 3820 GLY 74 N 0.0021 -0.0070 -0.0137 3821 GLY 74 CA -0.0024 -0.0092 -0.0108 3822 GLY 74 C -0.0095 -0.0141 -0.0125 3823 GLY 74 O -0.0136 -0.0166 -0.0126 3824 LEU 75 N -0.0106 -0.0154 -0.0159 3825 LEU 75 CA -0.0165 -0.0200 -0.0199 3826 LEU 75 C -0.0171 -0.0216 -0.0261 3827 LEU 75 O -0.0222 -0.0253 -0.0284 3828 LEU 75 CB -0.0182 -0.0211 -0.0207 3829 LEU 75 CG -0.0213 -0.0219 -0.0150 3830 LEU 75 CD1 -0.0235 -0.0220 -0.0087 3831 LEU 75 CD2 -0.0203 -0.0210 -0.0133 3832 ALA 76 N -0.0049 -0.0213 -0.0332 3833 ALA 76 CA 0.0017 -0.0224 -0.0389 3834 ALA 76 C 0.0015 -0.0196 -0.0337 3835 ALA 76 O 0.0022 -0.0210 -0.0366 3836 ALA 76 CB 0.0068 -0.0221 -0.0412 3837 HIS 77 N -0.0016 -0.0161 -0.0257 3838 HIS 77 CA -0.0002 -0.0137 -0.0221 3839 HIS 77 C -0.0056 -0.0103 -0.0131 3840 HIS 77 O -0.0052 -0.0065 -0.0064 3841 HIS 77 CB 0.0089 -0.0082 -0.0173 3842 HIS 77 CG 0.0165 -0.0091 -0.0231 3843 HIS 77 ND1 0.0186 -0.0093 -0.0247 3844 HIS 77 CD2 0.0213 -0.0090 -0.0257 3845 HIS 77 CE1 0.0276 -0.0113 -0.0333 3846 HIS 77 NE2 0.0259 -0.0119 -0.0335 3847 LEU 78 N -0.0147 -0.0144 -0.0154 3848 LEU 78 CA -0.0212 -0.0138 -0.0107 3849 LEU 78 C -0.0239 -0.0111 -0.0043 3850 LEU 78 O -0.0276 -0.0093 0.0010 3851 LEU 78 CB -0.0304 -0.0182 -0.0135 3852 LEU 78 CG -0.0337 -0.0181 -0.0115 3853 LEU 78 CD1 -0.0394 -0.0241 -0.0192 3854 LEU 78 CD2 -0.0335 -0.0161 -0.0081 3855 ASP 79 N -0.0176 -0.0047 -0.0090 3856 ASP 79 CA -0.0205 -0.0018 -0.0025 3857 ASP 79 C -0.0125 0.0001 0.0042 3858 ASP 79 O -0.0133 0.0026 0.0104 3859 ASP 79 CB -0.0175 -0.0035 -0.0059 3860 ASP 79 CG -0.0207 -0.0056 -0.0120 3861 ASP 79 OD1 -0.0228 -0.0064 -0.0145 3862 ASP 79 OD2 -0.0313 -0.0029 -0.0078 3863 ASN 80 N -0.0076 -0.0017 0.0009 3864 ASN 80 CA -0.0017 0.0009 0.0088 3865 ASN 80 C 0.0036 -0.0004 0.0069 3866 ASN 80 O 0.0097 -0.0003 0.0084 3867 ASN 80 CB 0.0036 0.0004 0.0087 3868 ASN 80 CG 0.0098 -0.0002 0.0088 3869 ASN 80 OD1 0.0138 0.0028 0.0172 3870 ASN 80 ND2 0.0100 -0.0029 0.0020 3871 LEU 81 N -0.0026 0.0011 0.0092 3872 LEU 81 CA 0.0003 0.0007 0.0088 3873 LEU 81 C 0.0064 0.0028 0.0154 3874 LEU 81 O 0.0123 0.0018 0.0144 3875 LEU 81 CB -0.0069 0.0016 0.0093 3876 LEU 81 CG -0.0114 -0.0010 0.0018 3877 LEU 81 CD1 -0.0179 -0.0000 0.0026 3878 LEU 81 CD2 -0.0077 -0.0038 -0.0045 3879 LYS 82 N 0.0078 0.0080 0.0095 3880 LYS 82 CA 0.0091 0.0081 0.0108 3881 LYS 82 C 0.0108 0.0074 0.0108 3882 LYS 82 O 0.0121 0.0070 0.0110 3883 LYS 82 CB 0.0084 0.0092 0.0126 3884 LYS 82 CG 0.0073 0.0098 0.0129 3885 LYS 82 CD 0.0067 0.0111 0.0150 3886 LYS 82 CE 0.0043 0.0114 0.0136 3887 LYS 82 NZ 0.0041 0.0121 0.0148 3888 GLY 83 N 0.0114 0.0070 0.0105 3889 GLY 83 CA 0.0131 0.0065 0.0109 3890 GLY 83 C 0.0136 0.0055 0.0094 3891 GLY 83 O 0.0153 0.0049 0.0094 3892 THR 84 N 0.0126 0.0051 0.0076 3893 THR 84 CA 0.0132 0.0042 0.0063 3894 THR 84 C 0.0141 0.0040 0.0067 3895 THR 84 O 0.0150 0.0032 0.0057 3896 THR 84 CB 0.0119 0.0039 0.0046 3897 THR 84 OG1 0.0115 0.0041 0.0046 3898 THR 84 CG2 0.0121 0.0030 0.0029 3899 PHE 85 N -0.0026 0.0070 0.0060 3900 PHE 85 CA -0.0036 0.0074 0.0063 3901 PHE 85 C -0.0056 0.0070 0.0032 3902 PHE 85 O -0.0065 0.0070 0.0023 3903 PHE 85 CB -0.0009 0.0065 0.0063 3904 PHE 85 CG -0.0001 0.0074 0.0097 3905 PHE 85 CD1 0.0028 0.0068 0.0106 3906 PHE 85 CD2 -0.0014 0.0086 0.0117 3907 PHE 85 CE1 0.0041 0.0074 0.0138 3908 PHE 85 CE2 -0.0002 0.0093 0.0149 3909 PHE 85 CZ 0.0025 0.0089 0.0163 3910 ALA 86 N -0.0063 0.0065 0.0009 3911 ALA 86 CA -0.0077 0.0058 -0.0024 3912 ALA 86 C -0.0109 0.0071 -0.0019 3913 ALA 86 O -0.0114 0.0067 -0.0035 3914 ALA 86 CB -0.0090 0.0056 -0.0041 3915 THR 87 N -0.0125 0.0083 0.0000 3916 THR 87 CA -0.0153 0.0093 0.0001 3917 THR 87 C -0.0150 0.0095 0.0012 3918 THR 87 O -0.0164 0.0096 0.0000 3919 THR 87 CB -0.0173 0.0107 0.0023 3920 THR 87 OG1 -0.0178 0.0105 0.0011 3921 THR 87 CG2 -0.0203 0.0117 0.0021 3922 LEU 88 N -0.0123 0.0149 0.0068 3923 LEU 88 CA -0.0069 0.0152 0.0063 3924 LEU 88 C -0.0025 0.0102 0.0036 3925 LEU 88 O 0.0007 0.0079 0.0022 3926 LEU 88 CB -0.0028 0.0206 0.0082 3927 LEU 88 CG -0.0052 0.0256 0.0106 3928 LEU 88 CD1 -0.0021 0.0303 0.0123 3929 LEU 88 CD2 -0.0053 0.0248 0.0103 3930 SER 89 N -0.0032 0.0082 0.0028 3931 SER 89 CA -0.0002 0.0031 0.0002 3932 SER 89 C -0.0014 -0.0019 -0.0019 3933 SER 89 O 0.0014 -0.0054 -0.0037 3934 SER 89 CB -0.0013 0.0011 -0.0006 3935 SER 89 OG 0.0023 -0.0034 -0.0029 3936 GLU 90 N -0.0079 -0.0033 -0.0017 3937 GLU 90 CA -0.0106 -0.0070 -0.0031 3938 GLU 90 C -0.0090 -0.0064 -0.0030 3939 GLU 90 O -0.0076 -0.0101 -0.0047 3940 GLU 90 CB -0.0176 -0.0071 -0.0023 3941 GLU 90 CG -0.0192 -0.0127 -0.0046 3942 GLU 90 CD -0.0293 -0.0125 -0.0033 3943 GLU 90 OE1 -0.0302 -0.0114 -0.0027 3944 GLU 90 OE2 -0.0286 -0.0077 -0.0013 3945 LEU 91 N -0.0075 -0.0004 -0.0002 3946 LEU 91 CA -0.0051 -0.0006 -0.0009 3947 LEU 91 C -0.0005 -0.0017 -0.0023 3948 LEU 91 O 0.0017 -0.0036 -0.0032 3949 LEU 91 CB -0.0056 0.0041 0.0001 3950 LEU 91 CG -0.0029 0.0058 -0.0003 3951 LEU 91 CD1 -0.0044 0.0029 -0.0004 3952 LEU 91 CD2 -0.0026 0.0103 0.0004 3953 HIS 92 N 0.0017 0.0006 -0.0025 3954 HIS 92 CA 0.0066 0.0003 -0.0039 3955 HIS 92 C 0.0069 -0.0048 -0.0049 3956 HIS 92 O 0.0101 -0.0063 -0.0060 3957 HIS 92 CB 0.0076 0.0026 -0.0037 3958 HIS 92 CG 0.0092 0.0073 -0.0033 3959 HIS 92 ND1 0.0055 0.0103 -0.0018 3960 HIS 92 CD2 0.0123 0.0101 -0.0037 3961 HIS 92 CE1 0.0079 0.0139 -0.0018 3962 HIS 92 NE2 0.0117 0.0140 -0.0028 3963 CYS 93 N 0.0038 -0.0069 -0.0044 3964 CYS 93 CA 0.0043 -0.0119 -0.0054 3965 CYS 93 C 0.0036 -0.0146 -0.0057 3966 CYS 93 O 0.0061 -0.0166 -0.0067 3967 CYS 93 CB 0.0017 -0.0123 -0.0048 3968 CYS 93 SG 0.0022 -0.0186 -0.0060 3969 ASP 94 N -0.0006 -0.0215 -0.0042 3970 ASP 94 CA -0.0024 -0.0279 -0.0040 3971 ASP 94 C 0.0006 -0.0265 -0.0050 3972 ASP 94 O 0.0016 -0.0309 -0.0056 3973 ASP 94 CB -0.0094 -0.0272 -0.0015 3974 ASP 94 CG -0.0136 -0.0303 -0.0003 3975 ASP 94 OD1 -0.0097 -0.0316 -0.0018 3976 ASP 94 OD2 -0.0199 -0.0271 0.0021 3977 LYS 95 N 0.0013 -0.0206 -0.0048 3978 LYS 95 CA 0.0041 -0.0193 -0.0057 3979 LYS 95 C 0.0105 -0.0183 -0.0078 3980 LYS 95 O 0.0148 -0.0199 -0.0094 3981 LYS 95 CB 0.0005 -0.0141 -0.0041 3982 LYS 95 CG -0.0069 -0.0145 -0.0016 3983 LYS 95 CD -0.0071 -0.0237 -0.0021 3984 LYS 95 CE -0.0122 -0.0278 -0.0006 3985 LYS 95 NZ -0.0092 -0.0354 -0.0022 3986 LEU 96 N 0.0130 -0.0130 -0.0083 3987 LEU 96 CA 0.0194 -0.0106 -0.0103 3988 LEU 96 C 0.0242 -0.0150 -0.0123 3989 LEU 96 O 0.0297 -0.0138 -0.0141 3990 LEU 96 CB 0.0193 -0.0032 -0.0098 3991 LEU 96 CG 0.0151 0.0015 -0.0081 3992 LEU 96 CD1 0.0152 0.0088 -0.0076 3993 LEU 96 CD2 0.0172 0.0010 -0.0088 3994 HIS 97 N 0.0149 -0.0145 0.0018 3995 HIS 97 CA 0.0148 -0.0147 0.0024 3996 HIS 97 C 0.0136 -0.0113 -0.0013 3997 HIS 97 O 0.0148 -0.0115 -0.0035 3998 HIS 97 CB 0.0179 -0.0182 0.0022 3999 HIS 97 CG 0.0195 -0.0220 0.0060 4000 HIS 97 ND1 0.0174 -0.0220 0.0103 4001 HIS 97 CD2 0.0225 -0.0245 0.0044 4002 HIS 97 CE1 0.0195 -0.0258 0.0131 4003 HIS 97 NE2 0.0219 -0.0266 0.0093 4004 VAL 98 N 0.0110 -0.0078 -0.0024 4005 VAL 98 CA 0.0101 -0.0047 -0.0061 4006 VAL 98 C 0.0068 -0.0020 -0.0042 4007 VAL 98 O 0.0042 -0.0005 -0.0013 4008 VAL 98 CB 0.0087 -0.0020 -0.0082 4009 VAL 98 CG1 0.0070 0.0018 -0.0115 4010 VAL 98 CG2 0.0124 -0.0048 -0.0107 4011 ASP 99 N 0.0071 -0.0015 -0.0058 4012 ASP 99 CA 0.0040 0.0013 -0.0043 4013 ASP 99 C 0.0013 0.0051 -0.0056 4014 ASP 99 O 0.0021 0.0065 -0.0099 4015 ASP 99 CB 0.0053 0.0013 -0.0070 4016 ASP 99 CG 0.0025 0.0040 -0.0061 4017 ASP 99 OD1 0.0042 0.0031 -0.0080 4018 ASP 99 OD2 -0.0004 0.0058 -0.0032 4019 PRO 100 N 0.0066 0.0008 -0.0038 4020 PRO 100 CA 0.0066 0.0001 -0.0042 4021 PRO 100 C 0.0064 -0.0004 -0.0035 4022 PRO 100 O 0.0064 -0.0009 -0.0038 4023 PRO 100 CB 0.0067 -0.0000 -0.0049 4024 PRO 100 CG 0.0067 0.0002 -0.0049 4025 PRO 100 CD 0.0067 0.0009 -0.0043 4026 GLU 101 N 0.0064 -0.0004 -0.0029 4027 GLU 101 CA 0.0062 -0.0009 -0.0024 4028 GLU 101 C 0.0062 -0.0009 -0.0021 4029 GLU 101 O 0.0061 -0.0014 -0.0020 4030 GLU 101 CB 0.0062 -0.0009 -0.0017 4031 GLU 101 CG 0.0060 -0.0015 -0.0010 4032 GLU 101 CD 0.0059 -0.0026 -0.0013 4033 GLU 101 OE1 0.0060 -0.0025 -0.0017 4034 GLU 101 OE2 0.0058 -0.0027 -0.0006 4035 ASN 102 N 0.0063 -0.0002 -0.0022 4036 ASN 102 CA 0.0063 0.0000 -0.0020 4037 ASN 102 C 0.0063 -0.0004 -0.0026 4038 ASN 102 O 0.0063 -0.0007 -0.0023 4039 ASN 102 CB 0.0064 0.0008 -0.0022 4040 ASN 102 CG 0.0063 0.0012 -0.0015 4041 ASN 102 OD1 0.0062 0.0012 -0.0009 4042 ASN 102 ND2 0.0064 0.0017 -0.0017 4043 PHE 103 N 0.0084 -0.0008 -0.0019 4044 PHE 103 CA 0.0086 -0.0013 -0.0025 4045 PHE 103 C 0.0078 -0.0019 -0.0024 4046 PHE 103 O 0.0077 -0.0025 -0.0029 4047 PHE 103 CB 0.0091 -0.0012 -0.0027 4048 PHE 103 CG 0.0098 -0.0007 -0.0027 4049 PHE 103 CD1 0.0101 -0.0007 -0.0028 4050 PHE 103 CD2 0.0101 -0.0002 -0.0025 4051 PHE 103 CE1 0.0107 -0.0002 -0.0029 4052 PHE 103 CE2 0.0108 0.0002 -0.0026 4053 PHE 103 CZ 0.0110 0.0003 -0.0027 4054 ARG 104 N 0.0074 -0.0016 -0.0020 4055 ARG 104 CA 0.0067 -0.0020 -0.0019 4056 ARG 104 C 0.0062 -0.0024 -0.0018 4057 ARG 104 O 0.0058 -0.0029 -0.0021 4058 ARG 104 CB 0.0063 -0.0016 -0.0013 4059 ARG 104 CG 0.0068 -0.0014 -0.0015 4060 ARG 104 CD 0.0066 -0.0009 -0.0009 4061 ARG 104 NE 0.0073 -0.0009 -0.0013 4062 ARG 104 CZ 0.0071 0.0001 -0.0004 4063 ARG 104 NH1 0.0065 0.0001 -0.0001 4064 ARG 104 NH2 0.0071 -0.0002 -0.0007 4065 LEU 105 N 0.0062 -0.0020 -0.0015 4066 LEU 105 CA 0.0057 -0.0022 -0.0014 4067 LEU 105 C 0.0059 -0.0028 -0.0020 4068 LEU 105 O 0.0055 -0.0033 -0.0021 4069 LEU 105 CB 0.0057 -0.0017 -0.0010 4070 LEU 105 CG 0.0054 -0.0012 -0.0004 4071 LEU 105 CD1 0.0055 -0.0006 -0.0000 4072 LEU 105 CD2 0.0047 -0.0014 -0.0002 4073 LEU 106 N 0.0053 -0.0020 -0.0055 4074 LEU 106 CA 0.0053 -0.0020 -0.0059 4075 LEU 106 C 0.0050 -0.0020 -0.0061 4076 LEU 106 O 0.0050 -0.0020 -0.0063 4077 LEU 106 CB 0.0056 -0.0019 -0.0059 4078 LEU 106 CG 0.0057 -0.0018 -0.0063 4079 LEU 106 CD1 0.0058 -0.0018 -0.0064 4080 LEU 106 CD2 0.0059 -0.0018 -0.0063 4081 GLY 107 N 0.0048 -0.0021 -0.0059 4082 GLY 107 CA 0.0045 -0.0021 -0.0061 4083 GLY 107 C 0.0043 -0.0022 -0.0062 4084 GLY 107 O 0.0042 -0.0022 -0.0064 4085 ASN 108 N 0.0043 -0.0022 -0.0059 4086 ASN 108 CA 0.0042 -0.0022 -0.0059 4087 ASN 108 C 0.0043 -0.0022 -0.0061 4088 ASN 108 O 0.0041 -0.0022 -0.0063 4089 ASN 108 CB 0.0041 -0.0023 -0.0056 4090 ASN 108 CG 0.0038 -0.0024 -0.0054 4091 ASN 108 OD1 0.0036 -0.0024 -0.0056 4092 ASN 108 ND2 0.0038 -0.0024 -0.0051 4093 VAL 109 N 0.0060 -0.0025 -0.0094 4094 VAL 109 CA 0.0063 -0.0017 -0.0090 4095 VAL 109 C 0.0059 -0.0010 -0.0090 4096 VAL 109 O 0.0063 -0.0005 -0.0087 4097 VAL 109 CB 0.0062 -0.0014 -0.0090 4098 VAL 109 CG1 0.0064 -0.0005 -0.0086 4099 VAL 109 CG2 0.0068 -0.0020 -0.0089 4100 LEU 110 N 0.0051 -0.0009 -0.0095 4101 LEU 110 CA 0.0047 -0.0003 -0.0095 4102 LEU 110 C 0.0051 -0.0003 -0.0093 4103 LEU 110 O 0.0051 0.0002 -0.0091 4104 LEU 110 CB 0.0039 -0.0004 -0.0099 4105 LEU 110 CG 0.0034 0.0002 -0.0101 4106 LEU 110 CD1 0.0034 0.0011 -0.0098 4107 LEU 110 CD2 0.0025 0.0001 -0.0106 4108 VAL 111 N 0.0052 -0.0012 -0.0095 4109 VAL 111 CA 0.0056 -0.0014 -0.0093 4110 VAL 111 C 0.0063 -0.0010 -0.0088 4111 VAL 111 O 0.0065 -0.0006 -0.0086 4112 VAL 111 CB 0.0056 -0.0023 -0.0096 4113 VAL 111 CG1 0.0061 -0.0024 -0.0093 4114 VAL 111 CG2 0.0048 -0.0025 -0.0101 4115 CYS 112 N 0.0071 0.0014 -0.0092 4116 CYS 112 CA 0.0070 0.0014 -0.0077 4117 CYS 112 C 0.0070 0.0018 -0.0074 4118 CYS 112 O 0.0070 0.0013 -0.0067 4119 CYS 112 CB 0.0069 0.0022 -0.0067 4120 CYS 112 SG 0.0070 0.0011 -0.0063 4121 VAL 113 N 0.0069 0.0030 -0.0083 4122 VAL 113 CA 0.0068 0.0039 -0.0083 4123 VAL 113 C 0.0069 0.0031 -0.0090 4124 VAL 113 O 0.0069 0.0028 -0.0083 4125 VAL 113 CB 0.0066 0.0054 -0.0091 4126 VAL 113 CG1 0.0065 0.0061 -0.0093 4127 VAL 113 CG2 0.0064 0.0066 -0.0080 4128 LEU 114 N 0.0070 0.0023 -0.0102 4129 LEU 114 CA 0.0072 0.0012 -0.0109 4130 LEU 114 C 0.0073 0.0001 -0.0098 4131 LEU 114 O 0.0073 -0.0004 -0.0095 4132 LEU 114 CB 0.0073 0.0008 -0.0123 4133 LEU 114 CG 0.0072 0.0020 -0.0135 4134 LEU 114 CD1 0.0074 0.0013 -0.0149 4135 LEU 114 CD2 0.0072 0.0026 -0.0139 4136 ALA 115 N 0.0078 0.0013 -0.0107 4137 ALA 115 CA 0.0091 0.0010 -0.0100 4138 ALA 115 C 0.0091 0.0016 -0.0088 4139 ALA 115 O 0.0098 0.0017 -0.0080 4140 ALA 115 CB 0.0099 0.0002 -0.0108 4141 HIS 116 N 0.0084 0.0019 -0.0088 4142 HIS 116 CA 0.0084 0.0025 -0.0078 4143 HIS 116 C 0.0079 0.0032 -0.0069 4144 HIS 116 O 0.0083 0.0036 -0.0058 4145 HIS 116 CB 0.0075 0.0027 -0.0082 4146 HIS 116 CG 0.0075 0.0033 -0.0071 4147 HIS 116 ND1 0.0065 0.0039 -0.0070 4148 HIS 116 CD2 0.0085 0.0032 -0.0065 4149 HIS 116 CE1 0.0067 0.0042 -0.0061 4150 HIS 116 NE2 0.0080 0.0038 -0.0057 4151 HIS 117 N 0.0069 0.0035 -0.0073 4152 HIS 117 CA 0.0063 0.0041 -0.0066 4153 HIS 117 C 0.0072 0.0040 -0.0061 4154 HIS 117 O 0.0072 0.0045 -0.0051 4155 HIS 117 CB 0.0051 0.0043 -0.0073 4156 HIS 117 CG 0.0045 0.0050 -0.0067 4157 HIS 117 ND1 0.0038 0.0058 -0.0058 4158 HIS 117 CD2 0.0043 0.0054 -0.0061 4159 HIS 117 CE1 0.0033 0.0063 -0.0053 4160 HIS 117 NE2 0.0035 0.0061 -0.0055 4161 PHE 118 N -0.0005 0.0000 -0.0093 4162 PHE 118 CA 0.0077 -0.0056 -0.0073 4163 PHE 118 C 0.0081 -0.0080 -0.0053 4164 PHE 118 O 0.0145 -0.0136 -0.0027 4165 PHE 118 CB 0.0155 -0.0032 -0.0125 4166 PHE 118 CG 0.0152 -0.0021 -0.0133 4167 PHE 118 CD1 0.0141 0.0033 -0.0178 4168 PHE 118 CD2 0.0175 -0.0088 -0.0082 4169 PHE 118 CE1 0.0136 0.0050 -0.0191 4170 PHE 118 CE2 0.0170 -0.0078 -0.0089 4171 PHE 118 CZ 0.0135 -0.0017 -0.0131 4172 GLY 119 N 0.0040 -0.0048 -0.0067 4173 GLY 119 CA 0.0040 -0.0079 -0.0039 4174 GLY 119 C 0.0137 -0.0079 -0.0076 4175 GLY 119 O 0.0187 -0.0045 -0.0126 4176 LYS 120 N 0.0170 -0.0147 -0.0027 4177 LYS 120 CA 0.0246 -0.0154 -0.0050 4178 LYS 120 C 0.0319 -0.0170 -0.0063 4179 LYS 120 O 0.0391 -0.0153 -0.0105 4180 LYS 120 CB 0.0244 -0.0224 0.0014 4181 LYS 120 CG 0.0298 -0.0276 0.0041 4182 LYS 120 CD 0.0341 -0.0359 0.0099 4183 LYS 120 CE 0.0321 -0.0404 0.0147 4184 LYS 120 NZ 0.0420 -0.0509 0.0204 4185 GLU 121 N 0.0160 -0.0090 -0.0118 4186 GLU 121 CA 0.0170 -0.0090 -0.0124 4187 GLU 121 C 0.0173 -0.0079 -0.0135 4188 GLU 121 O 0.0184 -0.0079 -0.0141 4189 GLU 121 CB 0.0168 -0.0092 -0.0121 4190 GLU 121 CG 0.0176 -0.0093 -0.0125 4191 GLU 121 CD 0.0177 -0.0101 -0.0119 4192 GLU 121 OE1 0.0183 -0.0094 -0.0128 4193 GLU 121 OE2 0.0165 -0.0096 -0.0116 4194 PHE 122 N 0.0164 -0.0071 -0.0136 4195 PHE 122 CA 0.0166 -0.0060 -0.0147 4196 PHE 122 C 0.0171 -0.0060 -0.0150 4197 PHE 122 O 0.0164 -0.0054 -0.0151 4198 PHE 122 CB 0.0154 -0.0053 -0.0146 4199 PHE 122 CG 0.0154 -0.0041 -0.0156 4200 PHE 122 CD1 0.0160 -0.0039 -0.0161 4201 PHE 122 CD2 0.0151 -0.0032 -0.0162 4202 PHE 122 CE1 0.0161 -0.0028 -0.0171 4203 PHE 122 CE2 0.0152 -0.0022 -0.0171 4204 PHE 122 CZ 0.0157 -0.0021 -0.0174 4205 THR 123 N 0.0182 -0.0066 -0.0151 4206 THR 123 CA 0.0187 -0.0066 -0.0153 4207 THR 123 C 0.0189 -0.0056 -0.0163 4208 THR 123 O 0.0190 -0.0049 -0.0169 4209 THR 123 CB 0.0200 -0.0075 -0.0153 4210 THR 123 OG1 0.0208 -0.0073 -0.0159 4211 THR 123 CG2 0.0198 -0.0087 -0.0142 4212 PRO 124 N 0.0098 -0.0004 -0.0135 4213 PRO 124 CA 0.0100 0.0006 -0.0131 4214 PRO 124 C 0.0109 0.0008 -0.0122 4215 PRO 124 O 0.0112 0.0010 -0.0118 4216 PRO 124 CB 0.0093 0.0016 -0.0134 4217 PRO 124 CG 0.0085 0.0010 -0.0143 4218 PRO 124 CD 0.0090 -0.0000 -0.0142 4219 PRO 125 N 0.0114 0.0007 -0.0117 4220 PRO 125 CA 0.0122 0.0008 -0.0109 4221 PRO 125 C 0.0129 -0.0001 -0.0104 4222 PRO 125 O 0.0135 0.0001 -0.0098 4223 PRO 125 CB 0.0124 0.0008 -0.0107 4224 PRO 125 CG 0.0117 0.0012 -0.0113 4225 PRO 125 CD 0.0110 0.0008 -0.0120 4226 VAL 126 N 0.0127 -0.0012 -0.0110 4227 VAL 126 CA 0.0132 -0.0021 -0.0108 4228 VAL 126 C 0.0132 -0.0019 -0.0108 4229 VAL 126 O 0.0138 -0.0021 -0.0103 4230 VAL 126 CB 0.0129 -0.0034 -0.0115 4231 VAL 126 CG1 0.0135 -0.0042 -0.0111 4232 VAL 126 CG2 0.0133 -0.0034 -0.0111 4233 GLN 127 N 0.0095 0.0006 -0.0080 4234 GLN 127 CA 0.0093 -0.0004 -0.0090 4235 GLN 127 C 0.0091 -0.0007 -0.0086 4236 GLN 127 O 0.0085 -0.0020 -0.0086 4237 GLN 127 CB 0.0099 -0.0002 -0.0107 4238 GLN 127 CG 0.0097 -0.0015 -0.0119 4239 GLN 127 CD 0.0105 -0.0010 -0.0136 4240 GLN 127 OE1 0.0110 -0.0000 -0.0141 4241 GLN 127 NE2 0.0103 -0.0020 -0.0145 4242 ALA 128 N 0.0096 0.0006 -0.0083 4243 ALA 128 CA 0.0095 0.0007 -0.0080 4244 ALA 128 C 0.0088 -0.0002 -0.0066 4245 ALA 128 O 0.0084 -0.0011 -0.0067 4246 ALA 128 CB 0.0102 0.0023 -0.0078 4247 ALA 129 N 0.0085 0.0000 -0.0055 4248 ALA 129 CA 0.0078 -0.0006 -0.0040 4249 ALA 129 C 0.0071 -0.0024 -0.0044 4250 ALA 129 O 0.0065 -0.0033 -0.0037 4251 ALA 129 CB 0.0077 0.0000 -0.0026 4252 TYR 130 N 0.0031 -0.0015 -0.0063 4253 TYR 130 CA 0.0037 -0.0043 -0.0069 4254 TYR 130 C 0.0038 -0.0050 -0.0072 4255 TYR 130 O 0.0041 -0.0071 -0.0062 4256 TYR 130 CB 0.0041 -0.0050 -0.0094 4257 TYR 130 CG 0.0041 -0.0057 -0.0087 4258 TYR 130 CD1 0.0045 -0.0081 -0.0078 4259 TYR 130 CD2 0.0038 -0.0041 -0.0086 4260 TYR 130 CE1 0.0046 -0.0096 -0.0067 4261 TYR 130 CE2 0.0039 -0.0051 -0.0078 4262 TYR 130 CZ 0.0042 -0.0074 -0.0068 4263 TYR 130 OH 0.0043 -0.0082 -0.0061 4264 GLN 131 N 0.0036 -0.0033 -0.0081 4265 GLN 131 CA 0.0037 -0.0039 -0.0081 4266 GLN 131 C 0.0036 -0.0044 -0.0056 4267 GLN 131 O 0.0038 -0.0060 -0.0049 4268 GLN 131 CB 0.0036 -0.0020 -0.0099 4269 GLN 131 CG 0.0038 -0.0017 -0.0126 4270 GLN 131 CD 0.0044 -0.0040 -0.0148 4271 GLN 131 OE1 0.0046 -0.0037 -0.0169 4272 GLN 131 NE2 0.0046 -0.0057 -0.0137 4273 LYS 132 N 0.0030 -0.0027 -0.0036 4274 LYS 132 CA 0.0028 -0.0029 -0.0008 4275 LYS 132 C 0.0031 -0.0055 0.0005 4276 LYS 132 O 0.0033 -0.0069 0.0017 4277 LYS 132 CB 0.0022 -0.0008 0.0008 4278 LYS 132 CG 0.0018 0.0019 0.0003 4279 LYS 132 CD 0.0012 0.0041 0.0021 4280 LYS 132 CE 0.0009 0.0066 -0.0002 4281 LYS 132 NZ 0.0001 0.0085 0.0043 4282 VAL 133 N -0.0048 -0.0069 -0.0065 4283 VAL 133 CA -0.0039 -0.0078 -0.0063 4284 VAL 133 C -0.0035 -0.0082 -0.0063 4285 VAL 133 O -0.0028 -0.0086 -0.0055 4286 VAL 133 CB -0.0037 -0.0085 -0.0071 4287 VAL 133 CG1 -0.0028 -0.0095 -0.0072 4288 VAL 133 CG2 -0.0041 -0.0080 -0.0070 4289 VAL 134 N -0.0038 -0.0083 -0.0071 4290 VAL 134 CA -0.0034 -0.0088 -0.0072 4291 VAL 134 C -0.0034 -0.0083 -0.0062 4292 VAL 134 O -0.0027 -0.0087 -0.0057 4293 VAL 134 CB -0.0038 -0.0091 -0.0084 4294 VAL 134 CG1 -0.0038 -0.0096 -0.0093 4295 VAL 134 CG2 -0.0047 -0.0082 -0.0085 4296 ALA 135 N -0.0040 -0.0074 -0.0059 4297 ALA 135 CA -0.0041 -0.0068 -0.0050 4298 ALA 135 C -0.0032 -0.0070 -0.0038 4299 ALA 135 O -0.0028 -0.0071 -0.0030 4300 ALA 135 CB -0.0049 -0.0058 -0.0047 4301 GLY 136 N 0.0015 -0.0038 -0.0006 4302 GLY 136 CA 0.0018 -0.0036 -0.0012 4303 GLY 136 C 0.0027 -0.0029 -0.0013 4304 GLY 136 O 0.0032 -0.0025 -0.0011 4305 VAL 137 N 0.0030 -0.0027 -0.0015 4306 VAL 137 CA 0.0037 -0.0021 -0.0016 4307 VAL 137 C 0.0042 -0.0016 -0.0008 4308 VAL 137 O 0.0047 -0.0012 -0.0006 4309 VAL 137 CB 0.0040 -0.0019 -0.0021 4310 VAL 137 CG1 0.0049 -0.0012 -0.0020 4311 VAL 137 CG2 0.0038 -0.0023 -0.0030 4312 ALA 138 N 0.0038 -0.0018 0.0001 4313 ALA 138 CA 0.0040 -0.0014 0.0011 4314 ALA 138 C 0.0041 -0.0012 0.0013 4315 ALA 138 O 0.0046 -0.0008 0.0017 4316 ALA 138 CB 0.0035 -0.0017 0.0020 4317 ASN 139 N 0.0099 0.0027 0.0008 4318 ASN 139 CA 0.0098 0.0023 0.0005 4319 ASN 139 C 0.0091 0.0023 0.0006 4320 ASN 139 O 0.0087 0.0019 0.0003 4321 ASN 139 CB 0.0099 0.0024 0.0006 4322 ASN 139 CG 0.0103 0.0022 0.0003 4323 ASN 139 OD1 0.0097 0.0019 0.0001 4324 ASN 139 ND2 0.0107 0.0020 0.0001 4325 ALA 140 N 0.0089 0.0027 0.0010 4326 ALA 140 CA 0.0083 0.0027 0.0012 4327 ALA 140 C 0.0080 0.0026 0.0011 4328 ALA 140 O 0.0075 0.0023 0.0009 4329 ALA 140 CB 0.0081 0.0032 0.0016 4330 LEU 141 N 0.0082 0.0026 0.0011 4331 LEU 141 CA 0.0080 0.0025 0.0010 4332 LEU 141 C 0.0079 0.0020 0.0005 4333 LEU 141 O 0.0077 0.0018 0.0004 4334 LEU 141 CB 0.0083 0.0028 0.0012 4335 LEU 141 CG 0.0081 0.0032 0.0016 4336 LEU 141 CD1 0.0083 0.0033 0.0016 4337 LEU 141 CD2 0.0074 0.0030 0.0016 4338 ALA 142 N 0.0118 -0.0001 -0.0012 4339 ALA 142 CA 0.0119 -0.0026 -0.0039 4340 ALA 142 C 0.0099 -0.0042 -0.0056 4341 ALA 142 O 0.0096 -0.0062 -0.0077 4342 ALA 142 CB 0.0156 -0.0033 -0.0046 4343 HIS 143 N 0.0086 -0.0032 -0.0045 4344 HIS 143 CA 0.0069 -0.0044 -0.0057 4345 HIS 143 C 0.0038 -0.0061 -0.0076 4346 HIS 143 O 0.0039 -0.0079 -0.0095 4347 HIS 143 CB 0.0066 -0.0028 -0.0041 4348 HIS 143 CG 0.0051 -0.0039 -0.0052 4349 HIS 143 ND1 0.0022 -0.0036 -0.0049 4350 HIS 143 CD2 0.0082 -0.0058 -0.0072 4351 HIS 143 CE1 0.0027 -0.0056 -0.0070 4352 HIS 143 NE2 0.0060 -0.0061 -0.0075 4353 LYS 144 N 0.0018 -0.0053 -0.0067 4354 LYS 144 CA -0.0016 -0.0062 -0.0077 4355 LYS 144 C -0.0011 -0.0081 -0.0097 4356 LYS 144 O -0.0037 -0.0090 -0.0106 4357 LYS 144 CB -0.0045 -0.0052 -0.0066 4358 LYS 144 CG -0.0051 -0.0035 -0.0047 4359 LYS 144 CD -0.0074 -0.0045 -0.0058 4360 LYS 144 CE -0.0086 -0.0040 -0.0053 4361 LYS 144 NZ -0.0137 -0.0045 -0.0058 4362 TYR 145 N 0.0070 -0.0062 -0.0108 4363 TYR 145 CA 0.0068 -0.0059 -0.0106 4364 TYR 145 C 0.0068 -0.0062 -0.0120 4365 TYR 145 O 0.0074 -0.0071 -0.0127 4366 TYR 145 CB 0.0074 -0.0064 -0.0092 4367 TYR 145 CG 0.0070 -0.0056 -0.0077 4368 TYR 145 CD1 0.0066 -0.0050 -0.0067 4369 TYR 145 CD2 0.0071 -0.0057 -0.0072 4370 TYR 145 CE1 0.0063 -0.0043 -0.0054 4371 TYR 145 CE2 0.0068 -0.0050 -0.0057 4372 TYR 145 CZ 0.0064 -0.0044 -0.0049 4373 TYR 145 OH 0.0061 -0.0037 -0.0036 4374 HIS 146 N 0.0061 -0.0053 -0.0123 4375 HIS 146 CA 0.0060 -0.0055 -0.0136 4376 HIS 146 C 0.0054 -0.0045 -0.0132 4377 HIS 146 O 0.0051 -0.0040 -0.0121 4378 HIS 146 CB 0.0055 -0.0050 -0.0150 4379 HIS 146 CG 0.0047 -0.0039 -0.0145 4380 HIS 146 ND1 0.0036 -0.0026 -0.0153 4381 HIS 146 CD2 0.0041 -0.0030 -0.0136 4382 HIS 146 CE1 0.0032 -0.0021 -0.0151 4383 HIS 146 NE2 0.0030 -0.0016 -0.0135 4384 HIS 146 OXT 0.0054 -0.0048 -0.0143