1 VAL 1 N -0.0023 0.0051 -0.0057 2 VAL 1 CA -0.0022 0.0038 -0.0081 3 VAL 1 C -0.0024 0.0035 -0.0072 4 VAL 1 O -0.0019 0.0065 -0.0065 5 VAL 1 CB -0.0010 0.0069 -0.0119 6 VAL 1 CG1 -0.0009 0.0052 -0.0147 7 VAL 1 CG2 -0.0012 0.0073 -0.0104 8 LEU 2 N -0.0026 0.0005 -0.0088 9 LEU 2 CA -0.0026 0.0009 -0.0086 10 LEU 2 C -0.0017 0.0027 -0.0124 11 LEU 2 O -0.0016 0.0010 -0.0148 12 LEU 2 CB -0.0034 -0.0033 -0.0085 13 LEU 2 CG -0.0042 -0.0054 -0.0055 14 LEU 2 CD1 -0.0045 -0.0040 -0.0019 15 LEU 2 CD2 -0.0050 -0.0099 -0.0059 16 SER 3 N -0.0015 0.0049 -0.0114 17 SER 3 CA -0.0006 0.0067 -0.0147 18 SER 3 C -0.0010 0.0039 -0.0158 19 SER 3 O -0.0017 0.0011 -0.0142 20 SER 3 CB -0.0004 0.0096 -0.0128 21 SER 3 OG -0.0008 0.0092 -0.0108 22 PRO 4 N -0.0016 0.0065 -0.0291 23 PRO 4 CA -0.0005 0.0022 -0.0293 24 PRO 4 C -0.0005 0.0025 -0.0241 25 PRO 4 O 0.0005 -0.0014 -0.0208 26 PRO 4 CB -0.0015 0.0059 -0.0334 27 PRO 4 CG -0.0021 0.0081 -0.0378 28 PRO 4 CD -0.0023 0.0087 -0.0356 29 ALA 5 N -0.0020 0.0085 -0.0202 30 ALA 5 CA -0.0020 0.0089 -0.0153 31 ALA 5 C -0.0009 0.0050 -0.0096 32 ALA 5 O -0.0002 0.0023 -0.0056 33 ALA 5 CB -0.0038 0.0163 -0.0126 34 ASP 6 N -0.0007 0.0040 -0.0099 35 ASP 6 CA 0.0006 -0.0009 -0.0059 36 ASP 6 C 0.0021 -0.0067 -0.0069 37 ASP 6 O 0.0029 -0.0095 -0.0017 38 ASP 6 CB 0.0007 -0.0011 -0.0068 39 ASP 6 CG -0.0007 0.0045 -0.0044 40 ASP 6 OD1 -0.0013 0.0072 0.0004 41 ASP 6 OD2 -0.0010 0.0055 -0.0080 42 LYS 7 N 0.0014 -0.0078 -0.0065 43 LYS 7 CA 0.0026 -0.0091 -0.0060 44 LYS 7 C 0.0031 -0.0089 -0.0044 45 LYS 7 O 0.0043 -0.0098 -0.0034 46 LYS 7 CB 0.0024 -0.0098 -0.0082 47 LYS 7 CG 0.0020 -0.0101 -0.0098 48 LYS 7 CD 0.0016 -0.0106 -0.0120 49 LYS 7 CE 0.0009 -0.0104 -0.0134 50 LYS 7 NZ 0.0008 -0.0111 -0.0150 51 THR 8 N 0.0017 -0.0070 -0.0042 52 THR 8 CA 0.0019 -0.0065 -0.0024 53 THR 8 C 0.0028 -0.0067 -0.0006 54 THR 8 O 0.0036 -0.0070 0.0008 55 THR 8 CB 0.0003 -0.0047 -0.0028 56 THR 8 OG1 -0.0001 -0.0050 -0.0044 57 THR 8 CG2 0.0005 -0.0042 -0.0012 58 ASN 9 N 0.0024 -0.0061 -0.0003 59 ASN 9 CA 0.0030 -0.0060 0.0013 60 ASN 9 C 0.0047 -0.0078 0.0020 61 ASN 9 O 0.0054 -0.0079 0.0036 62 ASN 9 CB 0.0023 -0.0052 0.0014 63 ASN 9 CG 0.0009 -0.0034 0.0014 64 ASN 9 OD1 0.0005 -0.0026 0.0022 65 ASN 9 ND2 0.0001 -0.0027 0.0012 66 VAL 10 N 0.0051 -0.0091 0.0016 67 VAL 10 CA 0.0057 -0.0087 0.0013 68 VAL 10 C 0.0059 -0.0079 0.0019 69 VAL 10 O 0.0064 -0.0074 0.0016 70 VAL 10 CB 0.0056 -0.0090 0.0010 71 VAL 10 CG1 0.0062 -0.0085 0.0008 72 VAL 10 CG2 0.0055 -0.0096 0.0005 73 LYS 11 N 0.0054 -0.0079 0.0025 74 LYS 11 CA 0.0056 -0.0071 0.0031 75 LYS 11 C 0.0057 -0.0068 0.0032 76 LYS 11 O 0.0062 -0.0062 0.0032 77 LYS 11 CB 0.0051 -0.0071 0.0038 78 LYS 11 CG 0.0050 -0.0073 0.0038 79 LYS 11 CD 0.0047 -0.0072 0.0044 80 LYS 11 CE 0.0048 -0.0072 0.0042 81 LYS 11 NZ 0.0042 -0.0075 0.0047 82 ALA 12 N 0.0056 -0.0073 0.0030 83 ALA 12 CA 0.0057 -0.0068 0.0033 84 ALA 12 C 0.0061 -0.0068 0.0027 85 ALA 12 O 0.0066 -0.0062 0.0026 86 ALA 12 CB 0.0053 -0.0074 0.0033 87 ALA 13 N 0.0147 -0.0057 0.0039 88 ALA 13 CA 0.0138 -0.0056 0.0034 89 ALA 13 C 0.0111 -0.0048 0.0035 90 ALA 13 O 0.0101 -0.0048 0.0023 91 ALA 13 CB 0.0148 -0.0056 0.0052 92 TRP 14 N 0.0106 -0.0045 0.0053 93 TRP 14 CA 0.0082 -0.0038 0.0056 94 TRP 14 C 0.0070 -0.0038 0.0036 95 TRP 14 O 0.0052 -0.0034 0.0029 96 TRP 14 CB 0.0078 -0.0033 0.0084 97 TRP 14 CG 0.0060 -0.0029 0.0084 98 TRP 14 CD1 0.0038 -0.0023 0.0085 99 TRP 14 CD2 0.0052 -0.0025 0.0095 100 TRP 14 NE1 0.0023 -0.0017 0.0095 101 TRP 14 CE2 0.0027 -0.0018 0.0100 102 TRP 14 CE3 0.0061 -0.0027 0.0098 103 TRP 14 CZ2 0.0018 -0.0015 0.0106 104 TRP 14 CZ3 0.0046 -0.0022 0.0107 105 TRP 14 CH2 0.0025 -0.0016 0.0110 106 GLY 15 N 0.0085 -0.0043 0.0028 107 GLY 15 CA 0.0072 -0.0042 0.0014 108 GLY 15 C 0.0073 -0.0044 -0.0006 109 GLY 15 O 0.0050 -0.0040 -0.0020 110 LYS 16 N 0.0127 -0.0050 -0.0016 111 LYS 16 CA 0.0121 -0.0054 -0.0043 112 LYS 16 C 0.0093 -0.0037 -0.0050 113 LYS 16 O 0.0081 -0.0035 -0.0071 114 LYS 16 CB 0.0139 -0.0071 -0.0053 115 LYS 16 CG 0.0129 -0.0075 -0.0089 116 LYS 16 CD 0.0141 -0.0088 -0.0103 117 LYS 16 CE 0.0120 -0.0084 -0.0132 118 LYS 16 NZ 0.0127 -0.0093 -0.0147 119 VAL 17 N 0.0088 -0.0024 -0.0023 120 VAL 17 CA 0.0070 -0.0011 -0.0021 121 VAL 17 C 0.0039 0.0007 -0.0035 122 VAL 17 O 0.0032 0.0007 -0.0049 123 VAL 17 CB 0.0069 -0.0003 0.0001 124 VAL 17 CG1 0.0044 0.0017 0.0007 125 VAL 17 CG2 0.0088 -0.0014 0.0007 126 GLY 18 N 0.0052 0.0004 -0.0014 127 GLY 18 CA 0.0036 0.0013 -0.0021 128 GLY 18 C 0.0004 0.0037 -0.0018 129 GLY 18 O 0.0005 0.0045 0.0009 130 ALA 19 N -0.0088 0.0086 -0.0087 131 ALA 19 CA -0.0151 0.0109 -0.0087 132 ALA 19 C -0.0119 0.0100 -0.0092 133 ALA 19 O -0.0162 0.0109 -0.0076 134 ALA 19 CB -0.0188 0.0148 -0.0145 135 HIS 20 N -0.0059 0.0074 -0.0086 136 HIS 20 CA -0.0031 0.0064 -0.0087 137 HIS 20 C -0.0035 0.0034 -0.0012 138 HIS 20 O -0.0008 0.0018 0.0002 139 HIS 20 CB 0.0034 0.0049 -0.0111 140 HIS 20 CG 0.0055 0.0069 -0.0176 141 HIS 20 ND1 0.0015 0.0105 -0.0227 142 HIS 20 CD2 0.0055 0.0083 -0.0211 143 HIS 20 CE1 0.0042 0.0115 -0.0275 144 HIS 20 NE2 0.0063 0.0109 -0.0279 145 ALA 21 N -0.0061 0.0028 0.0027 146 ALA 21 CA -0.0051 -0.0007 0.0100 147 ALA 21 C -0.0065 -0.0007 0.0113 148 ALA 21 O -0.0039 -0.0034 0.0153 149 ALA 21 CB -0.0073 -0.0015 0.0140 150 GLY 22 N -0.0037 0.0001 0.0012 151 GLY 22 CA -0.0040 -0.0002 0.0017 152 GLY 22 C -0.0030 -0.0003 0.0014 153 GLY 22 O -0.0027 -0.0007 0.0020 154 GLU 23 N -0.0022 0.0005 -0.0004 155 GLU 23 CA -0.0009 0.0005 -0.0010 156 GLU 23 C 0.0011 -0.0005 0.0000 157 GLU 23 O 0.0020 -0.0008 0.0003 158 GLU 23 CB -0.0005 0.0015 -0.0030 159 GLU 23 CG 0.0006 0.0017 -0.0039 160 GLU 23 CD 0.0008 0.0031 -0.0065 161 GLU 23 OE1 0.0031 0.0024 -0.0063 162 GLU 23 OE2 -0.0009 0.0035 -0.0066 163 TYR 24 N 0.0017 -0.0006 0.0001 164 TYR 24 CA 0.0034 -0.0014 0.0008 165 TYR 24 C 0.0029 -0.0024 0.0028 166 TYR 24 O 0.0044 -0.0031 0.0035 167 TYR 24 CB 0.0038 -0.0016 0.0009 168 TYR 24 CG 0.0048 -0.0007 -0.0011 169 TYR 24 CD1 0.0054 -0.0007 -0.0015 170 TYR 24 CD2 0.0049 -0.0001 -0.0024 171 TYR 24 CE1 0.0061 0.0002 -0.0033 172 TYR 24 CE2 0.0055 0.0008 -0.0042 173 TYR 24 CZ 0.0063 0.0007 -0.0045 174 TYR 24 OH 0.0064 0.0016 -0.0062 175 GLY 25 N -0.0023 -0.0012 0.0026 176 GLY 25 CA -0.0023 -0.0019 0.0024 177 GLY 25 C -0.0015 -0.0020 0.0020 178 GLY 25 O -0.0012 -0.0027 0.0017 179 ALA 26 N -0.0010 -0.0014 0.0020 180 ALA 26 CA -0.0003 -0.0015 0.0017 181 ALA 26 C 0.0004 -0.0018 0.0013 182 ALA 26 O 0.0009 -0.0023 0.0010 183 ALA 26 CB 0.0003 -0.0007 0.0016 184 GLU 27 N 0.0003 -0.0014 0.0015 185 GLU 27 CA 0.0007 -0.0017 0.0012 186 GLU 27 C 0.0004 -0.0026 0.0011 187 GLU 27 O 0.0010 -0.0030 0.0008 188 GLU 27 CB 0.0005 -0.0010 0.0015 189 GLU 27 CG 0.0009 -0.0013 0.0012 190 GLU 27 CD 0.0007 -0.0007 0.0015 191 GLU 27 OE1 0.0007 -0.0011 0.0014 192 GLU 27 OE2 0.0006 -0.0000 0.0017 193 ALA 28 N -0.0000 -0.0037 0.0014 194 ALA 28 CA 0.0000 -0.0050 0.0019 195 ALA 28 C 0.0002 -0.0049 0.0014 196 ALA 28 O 0.0005 -0.0058 0.0011 197 ALA 28 CB -0.0005 -0.0055 0.0035 198 LEU 29 N -0.0003 -0.0035 0.0020 199 LEU 29 CA -0.0001 -0.0032 0.0015 200 LEU 29 C 0.0005 -0.0032 -0.0002 201 LEU 29 O 0.0007 -0.0038 -0.0006 202 LEU 29 CB -0.0007 -0.0014 0.0022 203 LEU 29 CG -0.0013 -0.0015 0.0038 204 LEU 29 CD1 -0.0017 0.0003 0.0040 205 LEU 29 CD2 -0.0013 -0.0023 0.0043 206 GLU 30 N 0.0006 -0.0023 -0.0011 207 GLU 30 CA 0.0012 -0.0024 -0.0027 208 GLU 30 C 0.0017 -0.0041 -0.0032 209 GLU 30 O 0.0021 -0.0044 -0.0042 210 GLU 30 CB 0.0013 -0.0013 -0.0034 211 GLU 30 CG 0.0019 -0.0016 -0.0048 212 GLU 30 CD 0.0019 0.0000 -0.0058 213 GLU 30 OE1 0.0015 0.0004 -0.0050 214 GLU 30 OE2 0.0023 0.0005 -0.0070 215 ARG 31 N -0.0001 -0.0008 0.0032 216 ARG 31 CA 0.0004 -0.0012 0.0032 217 ARG 31 C 0.0004 -0.0028 0.0033 218 ARG 31 O 0.0014 -0.0033 0.0033 219 ARG 31 CB -0.0003 -0.0005 0.0031 220 ARG 31 CG 0.0001 0.0010 0.0030 221 ARG 31 CD -0.0007 0.0016 0.0030 222 ARG 31 NE -0.0005 0.0032 0.0029 223 ARG 31 CZ 0.0006 0.0036 0.0028 224 ARG 31 NH1 0.0016 0.0028 0.0029 225 ARG 31 NH2 0.0008 0.0049 0.0027 226 MET 32 N -0.0008 -0.0033 0.0034 227 MET 32 CA -0.0009 -0.0047 0.0035 228 MET 32 C 0.0001 -0.0054 0.0035 229 MET 32 O 0.0007 -0.0064 0.0035 230 MET 32 CB -0.0023 -0.0051 0.0035 231 MET 32 CG -0.0027 -0.0066 0.0036 232 MET 32 SD -0.0043 -0.0069 0.0037 233 MET 32 CE -0.0039 -0.0067 0.0037 234 PHE 33 N 0.0003 -0.0051 0.0035 235 PHE 33 CA 0.0013 -0.0058 0.0035 236 PHE 33 C 0.0026 -0.0058 0.0035 237 PHE 33 O 0.0034 -0.0067 0.0035 238 PHE 33 CB 0.0012 -0.0053 0.0034 239 PHE 33 CG -0.0001 -0.0055 0.0035 240 PHE 33 CD1 -0.0008 -0.0065 0.0036 241 PHE 33 CD2 -0.0004 -0.0044 0.0034 242 PHE 33 CE1 -0.0021 -0.0067 0.0036 243 PHE 33 CE2 -0.0018 -0.0047 0.0035 244 PHE 33 CZ -0.0025 -0.0056 0.0036 245 LEU 34 N -0.0012 -0.0037 0.0010 246 LEU 34 CA 0.0004 -0.0037 0.0006 247 LEU 34 C 0.0010 -0.0049 0.0009 248 LEU 34 O 0.0022 -0.0054 0.0008 249 LEU 34 CB 0.0008 -0.0024 -0.0001 250 LEU 34 CG 0.0008 -0.0012 -0.0006 251 LEU 34 CD1 0.0009 0.0004 -0.0013 252 LEU 34 CD2 0.0011 -0.0016 -0.0005 253 SER 35 N 0.0002 -0.0050 0.0012 254 SER 35 CA 0.0010 -0.0057 0.0012 255 SER 35 C 0.0008 -0.0073 0.0020 256 SER 35 O 0.0016 -0.0084 0.0022 257 SER 35 CB 0.0001 -0.0054 0.0013 258 SER 35 OG 0.0007 -0.0041 0.0007 259 PHE 36 N -0.0005 -0.0076 0.0024 260 PHE 36 CA -0.0010 -0.0090 0.0032 261 PHE 36 C -0.0015 -0.0091 0.0033 262 PHE 36 O -0.0029 -0.0091 0.0037 263 PHE 36 CB -0.0023 -0.0091 0.0036 264 PHE 36 CG -0.0022 -0.0089 0.0035 265 PHE 36 CD1 -0.0027 -0.0076 0.0031 266 PHE 36 CD2 -0.0011 -0.0099 0.0035 267 PHE 36 CE1 -0.0025 -0.0073 0.0029 268 PHE 36 CE2 -0.0008 -0.0096 0.0033 269 PHE 36 CZ -0.0014 -0.0082 0.0030 270 PRO 37 N 0.0022 -0.0110 0.0048 271 PRO 37 CA 0.0023 -0.0095 0.0045 272 PRO 37 C 0.0022 -0.0092 0.0052 273 PRO 37 O 0.0021 -0.0080 0.0054 274 PRO 37 CB 0.0025 -0.0095 0.0030 275 PRO 37 CG 0.0026 -0.0108 0.0025 276 PRO 37 CD 0.0024 -0.0117 0.0037 277 THR 38 N 0.0021 -0.0103 0.0058 278 THR 38 CA 0.0020 -0.0099 0.0064 279 THR 38 C 0.0018 -0.0090 0.0077 280 THR 38 O 0.0017 -0.0084 0.0083 281 THR 38 CB 0.0019 -0.0113 0.0069 282 THR 38 OG1 0.0018 -0.0121 0.0075 283 THR 38 CG2 0.0021 -0.0118 0.0055 284 THR 39 N 0.0017 -0.0091 0.0082 285 THR 39 CA 0.0015 -0.0083 0.0095 286 THR 39 C 0.0015 -0.0067 0.0091 287 THR 39 O 0.0014 -0.0060 0.0101 288 THR 39 CB 0.0014 -0.0088 0.0100 289 THR 39 OG1 0.0015 -0.0086 0.0091 290 THR 39 CG2 0.0013 -0.0103 0.0104 291 LYS 40 N 0.0025 -0.0055 0.0087 292 LYS 40 CA 0.0034 -0.0052 0.0088 293 LYS 40 C 0.0040 -0.0047 0.0081 294 LYS 40 O 0.0047 -0.0044 0.0082 295 LYS 40 CB 0.0033 -0.0051 0.0085 296 LYS 40 CG 0.0029 -0.0055 0.0093 297 LYS 40 CD 0.0029 -0.0054 0.0092 298 LYS 40 CE 0.0024 -0.0055 0.0085 299 LYS 40 NZ 0.0023 -0.0055 0.0084 300 THR 41 N 0.0036 -0.0047 0.0074 301 THR 41 CA 0.0041 -0.0044 0.0067 302 THR 41 C 0.0047 -0.0042 0.0072 303 THR 41 O 0.0053 -0.0038 0.0068 304 THR 41 CB 0.0034 -0.0045 0.0060 305 THR 41 OG1 0.0030 -0.0048 0.0064 306 THR 41 CG2 0.0030 -0.0046 0.0055 307 TYR 42 N 0.0046 -0.0044 0.0080 308 TYR 42 CA 0.0052 -0.0042 0.0084 309 TYR 42 C 0.0060 -0.0040 0.0090 310 TYR 42 O 0.0065 -0.0038 0.0094 311 TYR 42 CB 0.0048 -0.0046 0.0091 312 TYR 42 CG 0.0042 -0.0047 0.0084 313 TYR 42 CD1 0.0045 -0.0045 0.0081 314 TYR 42 CD2 0.0033 -0.0051 0.0083 315 TYR 42 CE1 0.0038 -0.0046 0.0075 316 TYR 42 CE2 0.0028 -0.0052 0.0077 317 TYR 42 CZ 0.0031 -0.0050 0.0073 318 TYR 42 OH 0.0025 -0.0051 0.0068 319 PHE 43 N 0.0057 -0.0064 0.0175 320 PHE 43 CA 0.0050 -0.0050 0.0163 321 PHE 43 C 0.0052 -0.0053 0.0165 322 PHE 43 O 0.0057 -0.0041 0.0153 323 PHE 43 CB 0.0056 -0.0036 0.0149 324 PHE 43 CG 0.0049 -0.0032 0.0146 325 PHE 43 CD1 0.0063 -0.0040 0.0151 326 PHE 43 CD2 0.0032 -0.0024 0.0141 327 PHE 43 CE1 0.0056 -0.0036 0.0149 328 PHE 43 CE2 0.0025 -0.0020 0.0139 329 PHE 43 CZ 0.0041 -0.0027 0.0143 330 PRO 44 N 0.0050 -0.0066 0.0178 331 PRO 44 CA 0.0057 -0.0066 0.0177 332 PRO 44 C 0.0035 -0.0056 0.0171 333 PRO 44 O 0.0040 -0.0052 0.0166 334 PRO 44 CB 0.0053 -0.0082 0.0192 335 PRO 44 CG 0.0037 -0.0087 0.0200 336 PRO 44 CD 0.0042 -0.0078 0.0191 337 HIS 45 N 0.0020 -0.0052 0.0170 338 HIS 45 CA 0.0002 -0.0042 0.0163 339 HIS 45 C 0.0002 -0.0025 0.0147 340 HIS 45 O -0.0012 -0.0015 0.0141 341 HIS 45 CB -0.0017 -0.0045 0.0169 342 HIS 45 CG -0.0025 -0.0045 0.0171 343 HIS 45 ND1 -0.0006 -0.0051 0.0173 344 HIS 45 CD2 -0.0037 -0.0034 0.0163 345 HIS 45 CE1 -0.0013 -0.0048 0.0172 346 HIS 45 NE2 -0.0033 -0.0037 0.0164 347 PHE 46 N -0.0042 -0.0033 0.0200 348 PHE 46 CA -0.0041 -0.0041 0.0162 349 PHE 46 C -0.0052 -0.0041 0.0139 350 PHE 46 O -0.0041 -0.0045 0.0144 351 PHE 46 CB 0.0001 -0.0057 0.0157 352 PHE 46 CG 0.0004 -0.0057 0.0164 353 PHE 46 CD1 0.0033 -0.0071 0.0146 354 PHE 46 CD2 -0.0011 -0.0048 0.0181 355 PHE 46 CE1 0.0041 -0.0073 0.0154 356 PHE 46 CE2 -0.0007 -0.0048 0.0191 357 PHE 46 CZ 0.0020 -0.0060 0.0179 358 ASP 47 N -0.0067 -0.0044 0.0100 359 ASP 47 CA -0.0064 -0.0050 0.0070 360 ASP 47 C -0.0021 -0.0070 0.0051 361 ASP 47 O -0.0016 -0.0074 0.0039 362 ASP 47 CB -0.0094 -0.0046 0.0034 363 ASP 47 CG -0.0094 -0.0053 0.0001 364 ASP 47 OD1 -0.0075 -0.0060 -0.0002 365 ASP 47 OD2 -0.0111 -0.0052 -0.0026 366 LEU 48 N -0.0005 -0.0074 0.0059 367 LEU 48 CA 0.0031 -0.0090 0.0046 368 LEU 48 C 0.0040 -0.0100 0.0010 369 LEU 48 O 0.0069 -0.0113 -0.0001 370 LEU 48 CB 0.0061 -0.0094 0.0082 371 LEU 48 CG 0.0065 -0.0089 0.0115 372 LEU 48 CD1 0.0089 -0.0091 0.0148 373 LEU 48 CD2 0.0075 -0.0092 0.0118 374 SER 49 N 0.0012 -0.0121 -0.0092 375 SER 49 CA 0.0023 -0.0110 -0.0098 376 SER 49 C 0.0028 -0.0093 -0.0130 377 SER 49 O 0.0015 -0.0094 -0.0156 378 SER 49 CB 0.0008 -0.0127 -0.0083 379 SER 49 OG -0.0011 -0.0135 -0.0102 380 HIS 50 N 0.0051 -0.0073 -0.0137 381 HIS 50 CA 0.0051 -0.0061 -0.0168 382 HIS 50 C 0.0032 -0.0065 -0.0197 383 HIS 50 O 0.0019 -0.0078 -0.0192 384 HIS 50 CB 0.0077 -0.0039 -0.0171 385 HIS 50 CG 0.0079 -0.0025 -0.0202 386 HIS 50 ND1 0.0097 -0.0007 -0.0215 387 HIS 50 CD2 0.0089 -0.0013 -0.0216 388 HIS 50 CE1 0.0097 0.0006 -0.0247 389 HIS 50 NE2 0.0088 -0.0001 -0.0248 390 GLY 51 N 0.0024 -0.0064 -0.0218 391 GLY 51 CA 0.0004 -0.0069 -0.0248 392 GLY 51 C -0.0025 -0.0093 -0.0245 393 GLY 51 O -0.0043 -0.0100 -0.0265 394 SER 52 N 0.0002 -0.0078 -0.0171 395 SER 52 CA -0.0045 -0.0045 -0.0129 396 SER 52 C -0.0046 -0.0045 -0.0115 397 SER 52 O -0.0019 -0.0061 -0.0092 398 SER 52 CB -0.0045 -0.0044 -0.0090 399 SER 52 OG -0.0025 -0.0056 -0.0043 400 ALA 53 N -0.0092 -0.0013 -0.0105 401 ALA 53 CA -0.0097 -0.0009 -0.0084 402 ALA 53 C -0.0085 -0.0015 -0.0020 403 ALA 53 O -0.0070 -0.0025 -0.0003 404 ALA 53 CB -0.0154 0.0029 -0.0078 405 GLN 54 N -0.0082 -0.0016 0.0011 406 GLN 54 CA -0.0070 -0.0022 0.0068 407 GLN 54 C -0.0014 -0.0060 0.0068 408 GLN 54 O -0.0004 -0.0065 0.0110 409 GLN 54 CB -0.0077 -0.0016 0.0094 410 GLN 54 CG -0.0127 0.0017 0.0112 411 GLN 54 CD -0.0137 0.0025 0.0122 412 GLN 54 OE1 -0.0138 0.0024 0.0087 413 GLN 54 NE2 -0.0173 0.0050 0.0162 414 VAL 55 N 0.0008 -0.0019 0.0031 415 VAL 55 CA 0.0045 -0.0047 0.0031 416 VAL 55 C 0.0063 -0.0064 0.0022 417 VAL 55 O 0.0089 -0.0077 0.0038 418 VAL 55 CB 0.0046 -0.0060 0.0004 419 VAL 55 CG1 0.0082 -0.0089 -0.0002 420 VAL 55 CG2 0.0039 -0.0045 0.0025 421 LYS 56 N 0.0044 -0.0064 -0.0011 422 LYS 56 CA 0.0053 -0.0075 -0.0019 423 LYS 56 C 0.0067 -0.0072 0.0012 424 LYS 56 O 0.0088 -0.0084 0.0020 425 LYS 56 CB 0.0034 -0.0079 -0.0060 426 LYS 56 CG 0.0034 -0.0091 -0.0090 427 LYS 56 CD 0.0012 -0.0094 -0.0133 428 LYS 56 CE 0.0006 -0.0108 -0.0177 429 LYS 56 NZ -0.0011 -0.0109 -0.0207 430 GLY 57 N 0.0036 -0.0041 0.0030 431 GLY 57 CA 0.0041 -0.0029 0.0064 432 GLY 57 C 0.0072 -0.0037 0.0103 433 GLY 57 O 0.0090 -0.0045 0.0114 434 HIS 58 N 0.0116 -0.0000 0.0057 435 HIS 58 CA 0.0101 0.0009 0.0035 436 HIS 58 C 0.0072 0.0005 0.0052 437 HIS 58 O 0.0073 0.0009 0.0042 438 HIS 58 CB 0.0089 0.0019 0.0014 439 HIS 58 CG 0.0079 0.0031 -0.0013 440 HIS 58 ND1 0.0097 0.0035 -0.0028 441 HIS 58 CD2 0.0052 0.0037 -0.0024 442 HIS 58 CE1 0.0075 0.0043 -0.0044 443 HIS 58 NE2 0.0051 0.0045 -0.0044 444 GLY 59 N 0.0059 -0.0001 0.0069 445 GLY 59 CA 0.0036 -0.0007 0.0086 446 GLY 59 C 0.0045 -0.0013 0.0100 447 GLY 59 O 0.0035 -0.0012 0.0099 448 LYS 60 N 0.0074 -0.0020 0.0112 449 LYS 60 CA 0.0090 -0.0025 0.0123 450 LYS 60 C 0.0097 -0.0019 0.0108 451 LYS 60 O 0.0095 -0.0020 0.0110 452 LYS 60 CB 0.0118 -0.0035 0.0144 453 LYS 60 CG 0.0134 -0.0041 0.0156 454 LYS 60 CD 0.0157 -0.0049 0.0172 455 LYS 60 CE 0.0177 -0.0057 0.0187 456 LYS 60 NZ 0.0207 -0.0067 0.0208 457 LYS 61 N 0.0185 0.0010 0.0117 458 LYS 61 CA 0.0191 0.0018 0.0080 459 LYS 61 C 0.0133 0.0025 0.0050 460 LYS 61 O 0.0134 0.0025 0.0052 461 LYS 61 CB 0.0221 0.0031 0.0025 462 LYS 61 CG 0.0289 0.0029 0.0032 463 LYS 61 CD 0.0315 0.0039 -0.0015 464 LYS 61 CE 0.0347 0.0039 -0.0013 465 LYS 61 NZ 0.0387 0.0049 -0.0062 466 VAL 62 N 0.0101 0.0025 0.0052 467 VAL 62 CA 0.0042 0.0030 0.0032 468 VAL 62 C 0.0009 0.0019 0.0080 469 VAL 62 O -0.0002 0.0023 0.0063 470 VAL 62 CB 0.0009 0.0032 0.0022 471 VAL 62 CG1 -0.0050 0.0036 0.0005 472 VAL 62 CG2 0.0029 0.0044 -0.0033 473 ALA 63 N 0.0023 0.0009 0.0123 474 ALA 63 CA -0.0001 -0.0001 0.0168 475 ALA 63 C 0.0027 -0.0005 0.0185 476 ALA 63 O 0.0001 -0.0006 0.0189 477 ALA 63 CB -0.0005 -0.0012 0.0217 478 ASP 64 N 0.0105 0.0017 0.0156 479 ASP 64 CA 0.0115 0.0017 0.0166 480 ASP 64 C 0.0108 0.0020 0.0143 481 ASP 64 O 0.0099 0.0016 0.0156 482 ASP 64 CB 0.0162 0.0026 0.0161 483 ASP 64 CG 0.0188 0.0023 0.0208 484 ASP 64 OD1 0.0153 0.0013 0.0227 485 ASP 64 OD2 0.0222 0.0031 0.0194 486 ALA 65 N 0.0105 0.0028 0.0100 487 ALA 65 CA 0.0084 0.0028 0.0080 488 ALA 65 C 0.0039 0.0018 0.0087 489 ALA 65 O 0.0036 0.0018 0.0086 490 ALA 65 CB 0.0086 0.0037 0.0034 491 LEU 66 N 0.0022 0.0013 0.0099 492 LEU 66 CA -0.0017 0.0004 0.0109 493 LEU 66 C -0.0016 -0.0003 0.0147 494 LEU 66 O -0.0038 -0.0008 0.0152 495 LEU 66 CB -0.0040 -0.0001 0.0111 496 LEU 66 CG -0.0056 0.0004 0.0072 497 LEU 66 CD1 -0.0071 -0.0000 0.0079 498 LEU 66 CD2 -0.0078 0.0005 0.0045 499 THR 67 N 0.0001 0.0015 0.0156 500 THR 67 CA 0.0009 0.0010 0.0191 501 THR 67 C 0.0020 0.0013 0.0190 502 THR 67 O 0.0002 0.0005 0.0206 503 THR 67 CB 0.0032 0.0011 0.0217 504 THR 67 OG1 0.0023 0.0008 0.0224 505 THR 67 CG2 0.0046 0.0009 0.0248 506 ASN 68 N 0.0043 0.0024 0.0164 507 ASN 68 CA 0.0052 0.0028 0.0157 508 ASN 68 C 0.0024 0.0024 0.0141 509 ASN 68 O 0.0016 0.0019 0.0152 510 ASN 68 CB 0.0079 0.0041 0.0128 511 ASN 68 CG 0.0092 0.0047 0.0116 512 ASN 68 OD1 0.0096 0.0044 0.0137 513 ASN 68 ND2 0.0110 0.0057 0.0084 514 ALA 69 N -0.0006 0.0021 0.0117 515 ALA 69 CA -0.0034 0.0016 0.0101 516 ALA 69 C -0.0062 0.0003 0.0132 517 ALA 69 O -0.0076 -0.0001 0.0132 518 ALA 69 CB -0.0052 0.0016 0.0076 519 VAL 70 N -0.0019 -0.0019 0.0106 520 VAL 70 CA -0.0052 -0.0037 0.0147 521 VAL 70 C -0.0040 -0.0032 0.0187 522 VAL 70 O -0.0069 -0.0047 0.0203 523 VAL 70 CB -0.0051 -0.0037 0.0162 524 VAL 70 CG1 -0.0077 -0.0051 0.0204 525 VAL 70 CG2 -0.0070 -0.0046 0.0124 526 ALA 71 N 0.0000 -0.0011 0.0197 527 ALA 71 CA 0.0017 -0.0004 0.0234 528 ALA 71 C 0.0004 -0.0010 0.0216 529 ALA 71 O -0.0003 -0.0014 0.0253 530 ALA 71 CB 0.0059 0.0018 0.0236 531 HIS 72 N 0.0001 -0.0010 0.0175 532 HIS 72 CA -0.0007 -0.0014 0.0161 533 HIS 72 C -0.0041 -0.0031 0.0132 534 HIS 72 O -0.0044 -0.0031 0.0092 535 HIS 72 CB 0.0033 0.0008 0.0125 536 HIS 72 CG 0.0060 0.0020 0.0159 537 HIS 72 ND1 0.0091 0.0036 0.0191 538 HIS 72 CD2 0.0102 0.0042 0.0168 539 HIS 72 CE1 0.0109 0.0043 0.0232 540 HIS 72 NE2 0.0136 0.0058 0.0209 541 VAL 73 N -0.0056 0.0013 0.0085 542 VAL 73 CA -0.0094 0.0003 0.0058 543 VAL 73 C -0.0103 0.0001 0.0041 544 VAL 73 O -0.0116 -0.0000 0.0010 545 VAL 73 CB -0.0119 -0.0009 0.0078 546 VAL 73 CG1 -0.0133 -0.0019 0.0117 547 VAL 73 CG2 -0.0140 -0.0014 0.0054 548 ASP 74 N -0.0098 -0.0000 0.0068 549 ASP 74 CA -0.0112 -0.0004 0.0054 550 ASP 74 C -0.0079 0.0012 0.0021 551 ASP 74 O -0.0093 0.0008 0.0010 552 ASP 74 CB -0.0106 -0.0006 0.0090 553 ASP 74 CG -0.0145 -0.0024 0.0123 554 ASP 74 OD1 -0.0167 -0.0031 0.0116 555 ASP 74 OD2 -0.0134 -0.0025 0.0168 556 ASP 75 N -0.0053 0.0023 0.0013 557 ASP 75 CA -0.0027 0.0036 -0.0023 558 ASP 75 C -0.0002 0.0047 -0.0038 559 ASP 75 O 0.0035 0.0062 -0.0046 560 ASP 75 CB 0.0019 0.0049 0.0013 561 ASP 75 CG 0.0014 0.0049 0.0002 562 ASP 75 OD1 0.0025 0.0056 -0.0027 563 ASP 75 OD2 0.0073 0.0070 0.0005 564 MET 76 N -0.0019 0.0048 -0.0048 565 MET 76 CA -0.0031 0.0046 -0.0042 566 MET 76 C -0.0019 0.0077 -0.0075 567 MET 76 O -0.0002 0.0069 -0.0072 568 MET 76 CB -0.0087 0.0059 -0.0036 569 MET 76 CG -0.0096 0.0033 -0.0008 570 MET 76 SD -0.0162 0.0035 0.0012 571 MET 76 CE -0.0193 0.0045 0.0013 572 PRO 77 N -0.0015 0.0104 -0.0100 573 PRO 77 CA 0.0013 0.0122 -0.0126 574 PRO 77 C 0.0050 0.0109 -0.0127 575 PRO 77 O 0.0063 0.0118 -0.0139 576 PRO 77 CB 0.0013 0.0162 -0.0162 577 PRO 77 CG -0.0029 0.0155 -0.0142 578 PRO 77 CD -0.0036 0.0122 -0.0110 579 ASN 78 N 0.0086 0.0092 -0.0122 580 ASN 78 CA 0.0130 0.0078 -0.0125 581 ASN 78 C 0.0127 0.0046 -0.0095 582 ASN 78 O 0.0144 0.0041 -0.0096 583 ASN 78 CB 0.0171 0.0062 -0.0124 584 ASN 78 CG 0.0185 0.0077 -0.0142 585 ASN 78 OD1 0.0165 0.0108 -0.0164 586 ASN 78 ND2 0.0201 0.0099 -0.0168 587 ALA 79 N 0.0054 0.0041 -0.0052 588 ALA 79 CA 0.0035 0.0024 -0.0061 589 ALA 79 C 0.0006 0.0028 -0.0046 590 ALA 79 O -0.0012 0.0016 -0.0050 591 ALA 79 CB 0.0042 0.0014 -0.0073 592 LEU 80 N 0.0007 0.0042 -0.0033 593 LEU 80 CA -0.0016 0.0050 -0.0017 594 LEU 80 C -0.0022 0.0064 -0.0003 595 LEU 80 O -0.0037 0.0074 0.0013 596 LEU 80 CB -0.0015 0.0058 -0.0010 597 LEU 80 CG -0.0012 0.0042 -0.0026 598 LEU 80 CD1 -0.0009 0.0052 -0.0018 599 LEU 80 CD2 -0.0038 0.0026 -0.0031 600 SER 81 N -0.0008 0.0068 -0.0004 601 SER 81 CA -0.0011 0.0087 0.0014 602 SER 81 C -0.0036 0.0084 0.0021 603 SER 81 O -0.0046 0.0099 0.0039 604 SER 81 CB 0.0006 0.0079 0.0001 605 SER 81 OG 0.0008 0.0100 0.0019 606 ALA 82 N -0.0162 0.0133 0.0026 607 ALA 82 CA -0.0168 0.0145 0.0021 608 ALA 82 C -0.0133 0.0131 0.0013 609 ALA 82 O -0.0126 0.0120 0.0018 610 ALA 82 CB -0.0186 0.0180 0.0002 611 LEU 83 N -0.0106 0.0142 -0.0010 612 LEU 83 CA -0.0070 0.0133 -0.0022 613 LEU 83 C -0.0050 0.0100 -0.0007 614 LEU 83 O -0.0029 0.0085 -0.0006 615 LEU 83 CB -0.0047 0.0150 -0.0048 616 LEU 83 CG -0.0031 0.0169 -0.0070 617 LEU 83 CD1 -0.0055 0.0191 -0.0075 618 LEU 83 CD2 -0.0029 0.0202 -0.0098 619 SER 84 N -0.0054 0.0081 0.0011 620 SER 84 CA -0.0039 0.0047 0.0029 621 SER 84 C -0.0053 0.0028 0.0052 622 SER 84 O -0.0033 0.0006 0.0058 623 SER 84 CB -0.0042 0.0021 0.0051 624 SER 84 OG -0.0064 0.0042 0.0046 625 ASP 85 N -0.0127 0.0031 0.0096 626 ASP 85 CA -0.0130 0.0015 0.0102 627 ASP 85 C -0.0106 0.0026 0.0083 628 ASP 85 O -0.0090 0.0005 0.0077 629 ASP 85 CB -0.0162 0.0039 0.0117 630 ASP 85 CG -0.0188 0.0018 0.0140 631 ASP 85 OD1 -0.0191 -0.0003 0.0147 632 ASP 85 OD2 -0.0225 0.0047 0.0158 633 LEU 86 N -0.0092 0.0062 0.0065 634 LEU 86 CA -0.0068 0.0074 0.0046 635 LEU 86 C -0.0036 0.0049 0.0030 636 LEU 86 O -0.0016 0.0040 0.0020 637 LEU 86 CB -0.0065 0.0118 0.0033 638 LEU 86 CG -0.0042 0.0131 0.0015 639 LEU 86 CD1 -0.0050 0.0146 0.0016 640 LEU 86 CD2 -0.0027 0.0171 -0.0006 641 HIS 87 N -0.0030 0.0038 0.0029 642 HIS 87 CA 0.0005 0.0017 0.0011 643 HIS 87 C 0.0003 -0.0030 0.0024 644 HIS 87 O 0.0027 -0.0044 0.0011 645 HIS 87 CB 0.0015 0.0012 0.0006 646 HIS 87 CG 0.0031 0.0050 -0.0015 647 HIS 87 ND1 0.0007 0.0084 -0.0007 648 HIS 87 CD2 0.0060 0.0062 -0.0037 649 HIS 87 CE1 0.0026 0.0111 -0.0026 650 HIS 87 NE2 0.0058 0.0099 -0.0045 651 ALA 88 N -0.0008 -0.0034 0.0023 652 ALA 88 CA -0.0015 -0.0087 0.0035 653 ALA 88 C -0.0008 -0.0103 0.0035 654 ALA 88 O 0.0003 -0.0138 0.0037 655 ALA 88 CB -0.0052 -0.0105 0.0053 656 HIS 89 N -0.0034 -0.0074 0.0040 657 HIS 89 CA -0.0039 -0.0089 0.0045 658 HIS 89 C -0.0013 -0.0076 0.0032 659 HIS 89 O 0.0000 -0.0097 0.0031 660 HIS 89 CB -0.0086 -0.0081 0.0061 661 HIS 89 CG -0.0116 -0.0105 0.0078 662 HIS 89 ND1 -0.0112 -0.0151 0.0084 663 HIS 89 CD2 -0.0156 -0.0088 0.0090 664 HIS 89 CE1 -0.0136 -0.0169 0.0097 665 HIS 89 NE2 -0.0161 -0.0127 0.0099 666 LYS 90 N 0.0008 -0.0038 0.0017 667 LYS 90 CA 0.0037 -0.0018 0.0002 668 LYS 90 C 0.0084 -0.0014 -0.0017 669 LYS 90 O 0.0112 -0.0037 -0.0023 670 LYS 90 CB 0.0015 0.0034 0.0001 671 LYS 90 CG -0.0033 0.0027 0.0021 672 LYS 90 CD -0.0036 0.0005 0.0027 673 LYS 90 CE -0.0084 0.0039 0.0039 674 LYS 90 NZ -0.0067 -0.0040 0.0047 675 LEU 91 N 0.0079 -0.0035 -0.0014 676 LEU 91 CA 0.0096 -0.0027 -0.0012 677 LEU 91 C 0.0091 -0.0049 -0.0028 678 LEU 91 O 0.0114 -0.0055 -0.0038 679 LEU 91 CB 0.0086 -0.0002 0.0010 680 LEU 91 CG 0.0092 0.0022 0.0027 681 LEU 91 CD1 0.0080 0.0042 0.0046 682 LEU 91 CD2 0.0125 0.0027 0.0023 683 ARG 92 N 0.0062 -0.0059 -0.0028 684 ARG 92 CA 0.0053 -0.0084 -0.0046 685 ARG 92 C 0.0062 -0.0082 -0.0046 686 ARG 92 O 0.0076 -0.0097 -0.0062 687 ARG 92 CB 0.0066 -0.0107 -0.0067 688 ARG 92 CG 0.0049 -0.0114 -0.0068 689 ARG 92 CD 0.0086 -0.0120 -0.0082 690 ARG 92 NE 0.0059 -0.0134 -0.0086 691 ARG 92 CZ 0.0098 -0.0144 -0.0103 692 ARG 92 NH1 0.0124 -0.0122 -0.0093 693 ARG 92 NH2 0.0091 -0.0160 -0.0114 694 VAL 93 N 0.0056 -0.0063 -0.0030 695 VAL 93 CA 0.0061 -0.0056 -0.0026 696 VAL 93 C 0.0041 -0.0073 -0.0034 697 VAL 93 O 0.0010 -0.0075 -0.0029 698 VAL 93 CB 0.0057 -0.0029 -0.0004 699 VAL 93 CG1 0.0061 -0.0024 -0.0001 700 VAL 93 CG2 0.0081 -0.0011 0.0005 701 ASP 94 N 0.0053 -0.0062 -0.0010 702 ASP 94 CA 0.0037 -0.0054 -0.0020 703 ASP 94 C 0.0026 -0.0050 -0.0008 704 ASP 94 O 0.0026 -0.0053 0.0007 705 ASP 94 CB 0.0029 -0.0050 -0.0018 706 ASP 94 CG 0.0014 -0.0041 -0.0030 707 ASP 94 OD1 0.0015 -0.0039 -0.0045 708 ASP 94 OD2 0.0001 -0.0037 -0.0023 709 PRO 95 N 0.0017 -0.0045 -0.0017 710 PRO 95 CA 0.0008 -0.0042 -0.0009 711 PRO 95 C -0.0004 -0.0039 0.0004 712 PRO 95 O -0.0010 -0.0039 0.0018 713 PRO 95 CB -0.0002 -0.0035 -0.0022 714 PRO 95 CG 0.0011 -0.0038 -0.0038 715 PRO 95 CD 0.0019 -0.0042 -0.0037 716 VAL 96 N -0.0011 -0.0036 0.0005 717 VAL 96 CA -0.0023 -0.0033 0.0018 718 VAL 96 C -0.0019 -0.0038 0.0036 719 VAL 96 O -0.0027 -0.0036 0.0050 720 VAL 96 CB -0.0030 -0.0029 0.0012 721 VAL 96 CG1 -0.0023 -0.0032 0.0016 722 VAL 96 CG2 -0.0041 -0.0025 0.0020 723 ASN 97 N -0.0017 -0.0047 0.0032 724 ASN 97 CA -0.0012 -0.0054 0.0051 725 ASN 97 C -0.0010 -0.0056 0.0058 726 ASN 97 O -0.0011 -0.0059 0.0075 727 ASN 97 CB 0.0006 -0.0064 0.0051 728 ASN 97 CG 0.0005 -0.0063 0.0046 729 ASN 97 OD1 0.0001 -0.0063 0.0056 730 ASN 97 ND2 0.0010 -0.0062 0.0026 731 PHE 98 N -0.0011 -0.0053 0.0047 732 PHE 98 CA -0.0011 -0.0054 0.0053 733 PHE 98 C -0.0028 -0.0047 0.0066 734 PHE 98 O -0.0028 -0.0050 0.0081 735 PHE 98 CB -0.0009 -0.0053 0.0039 736 PHE 98 CG 0.0007 -0.0061 0.0029 737 PHE 98 CD1 0.0017 -0.0068 0.0035 738 PHE 98 CD2 0.0012 -0.0061 0.0016 739 PHE 98 CE1 0.0031 -0.0075 0.0028 740 PHE 98 CE2 0.0029 -0.0070 0.0009 741 PHE 98 CZ 0.0036 -0.0076 0.0016 742 LYS 99 N -0.0041 -0.0038 0.0062 743 LYS 99 CA -0.0056 -0.0032 0.0075 744 LYS 99 C -0.0056 -0.0035 0.0090 745 LYS 99 O -0.0062 -0.0034 0.0104 746 LYS 99 CB -0.0069 -0.0021 0.0062 747 LYS 99 CG -0.0070 -0.0018 0.0048 748 LYS 99 CD -0.0080 -0.0011 0.0041 749 LYS 99 CE -0.0085 -0.0006 0.0028 750 LYS 99 NZ -0.0098 0.0006 0.0007 751 LEU 100 N -0.0050 -0.0074 0.0066 752 LEU 100 CA -0.0046 -0.0074 0.0074 753 LEU 100 C -0.0047 -0.0074 0.0071 754 LEU 100 O -0.0045 -0.0068 0.0074 755 LEU 100 CB -0.0042 -0.0081 0.0080 756 LEU 100 CG -0.0041 -0.0082 0.0081 757 LEU 100 CD1 -0.0037 -0.0090 0.0089 758 LEU 100 CD2 -0.0038 -0.0074 0.0087 759 LEU 101 N -0.0050 -0.0080 0.0066 760 LEU 101 CA -0.0052 -0.0080 0.0064 761 LEU 101 C -0.0054 -0.0072 0.0058 762 LEU 101 O -0.0054 -0.0066 0.0059 763 LEU 101 CB -0.0055 -0.0088 0.0058 764 LEU 101 CG -0.0057 -0.0089 0.0055 765 LEU 101 CD1 -0.0054 -0.0088 0.0061 766 LEU 101 CD2 -0.0061 -0.0098 0.0050 767 SER 102 N -0.0057 -0.0067 0.0053 768 SER 102 CA -0.0060 -0.0058 0.0048 769 SER 102 C -0.0056 -0.0050 0.0055 770 SER 102 O -0.0057 -0.0044 0.0053 771 SER 102 CB -0.0062 -0.0056 0.0043 772 SER 102 OG -0.0067 -0.0063 0.0037 773 HIS 103 N -0.0050 -0.0057 0.0034 774 HIS 103 CA -0.0041 -0.0053 0.0033 775 HIS 103 C -0.0039 -0.0045 0.0030 776 HIS 103 O -0.0036 -0.0037 0.0027 777 HIS 103 CB -0.0032 -0.0059 0.0036 778 HIS 103 CG -0.0023 -0.0055 0.0035 779 HIS 103 ND1 -0.0016 -0.0055 0.0036 780 HIS 103 CD2 -0.0020 -0.0049 0.0033 781 HIS 103 CE1 -0.0009 -0.0049 0.0034 782 HIS 103 NE2 -0.0011 -0.0045 0.0032 783 CYS 104 N -0.0040 -0.0047 0.0031 784 CYS 104 CA -0.0037 -0.0040 0.0028 785 CYS 104 C -0.0045 -0.0033 0.0025 786 CYS 104 O -0.0042 -0.0026 0.0022 787 CYS 104 CB -0.0036 -0.0045 0.0031 788 CYS 104 SG -0.0026 -0.0053 0.0034 789 LEU 105 N -0.0054 -0.0035 0.0025 790 LEU 105 CA -0.0060 -0.0027 0.0022 791 LEU 105 C -0.0058 -0.0021 0.0019 792 LEU 105 O -0.0058 -0.0013 0.0016 793 LEU 105 CB -0.0071 -0.0032 0.0023 794 LEU 105 CG -0.0077 -0.0033 0.0023 795 LEU 105 CD1 -0.0086 -0.0039 0.0025 796 LEU 105 CD2 -0.0079 -0.0027 0.0021 797 LEU 106 N -0.0048 -0.0003 0.0003 798 LEU 106 CA -0.0045 0.0005 0.0001 799 LEU 106 C -0.0035 0.0011 0.0001 800 LEU 106 O -0.0035 0.0022 -0.0002 801 LEU 106 CB -0.0044 -0.0002 0.0003 802 LEU 106 CG -0.0050 -0.0004 0.0003 803 LEU 106 CD1 -0.0047 -0.0010 0.0005 804 LEU 106 CD2 -0.0061 0.0003 -0.0000 805 VAL 107 N -0.0026 0.0007 0.0003 806 VAL 107 CA -0.0017 0.0013 0.0002 807 VAL 107 C -0.0019 0.0021 -0.0000 808 VAL 107 O -0.0014 0.0031 -0.0002 809 VAL 107 CB -0.0007 0.0006 0.0005 810 VAL 107 CG1 0.0001 0.0012 0.0005 811 VAL 107 CG2 -0.0002 -0.0002 0.0008 812 THR 108 N -0.0026 0.0019 -0.0000 813 THR 108 CA -0.0028 0.0027 -0.0003 814 THR 108 C -0.0034 0.0036 -0.0006 815 THR 108 O -0.0031 0.0046 -0.0008 816 THR 108 CB -0.0035 0.0020 -0.0002 817 THR 108 OG1 -0.0028 0.0013 0.0001 818 THR 108 CG2 -0.0037 0.0028 -0.0004 819 LEU 109 N -0.0031 0.0051 -0.0028 820 LEU 109 CA -0.0033 0.0055 -0.0032 821 LEU 109 C -0.0025 0.0057 -0.0035 822 LEU 109 O -0.0026 0.0063 -0.0039 823 LEU 109 CB -0.0037 0.0051 -0.0028 824 LEU 109 CG -0.0046 0.0050 -0.0026 825 LEU 109 CD1 -0.0048 0.0046 -0.0022 826 LEU 109 CD2 -0.0050 0.0054 -0.0028 827 ALA 110 N -0.0020 0.0053 -0.0032 828 ALA 110 CA -0.0013 0.0056 -0.0035 829 ALA 110 C -0.0010 0.0060 -0.0040 830 ALA 110 O -0.0007 0.0065 -0.0044 831 ALA 110 CB -0.0007 0.0050 -0.0032 832 ALA 111 N -0.0010 0.0060 -0.0040 833 ALA 111 CA -0.0008 0.0064 -0.0043 834 ALA 111 C -0.0013 0.0070 -0.0047 835 ALA 111 O -0.0010 0.0074 -0.0051 836 ALA 111 CB -0.0007 0.0062 -0.0041 837 HIS 112 N -0.0003 0.0041 -0.0083 838 HIS 112 CA -0.0001 0.0038 -0.0083 839 HIS 112 C 0.0015 0.0022 -0.0074 840 HIS 112 O 0.0014 0.0017 -0.0078 841 HIS 112 CB -0.0003 0.0060 -0.0073 842 HIS 112 CG -0.0018 0.0073 -0.0082 843 HIS 112 ND1 -0.0026 0.0071 -0.0092 844 HIS 112 CD2 -0.0026 0.0090 -0.0082 845 HIS 112 CE1 -0.0041 0.0089 -0.0099 846 HIS 112 NE2 -0.0042 0.0099 -0.0094 847 LEU 113 N 0.0026 0.0015 -0.0066 848 LEU 113 CA 0.0041 0.0001 -0.0056 849 LEU 113 C 0.0044 -0.0017 -0.0063 850 LEU 113 O 0.0056 -0.0022 -0.0052 851 LEU 113 CB 0.0053 0.0006 -0.0039 852 LEU 113 CG 0.0054 0.0026 -0.0027 853 LEU 113 CD1 0.0069 0.0033 -0.0007 854 LEU 113 CD2 0.0049 0.0027 -0.0032 855 PRO 114 N 0.0036 -0.0028 -0.0078 856 PRO 114 CA 0.0038 -0.0047 -0.0086 857 PRO 114 C 0.0056 -0.0063 -0.0075 858 PRO 114 O 0.0063 -0.0067 -0.0070 859 PRO 114 CB 0.0028 -0.0054 -0.0102 860 PRO 114 CG 0.0023 -0.0046 -0.0103 861 PRO 114 CD 0.0025 -0.0025 -0.0089 862 ALA 115 N 0.0041 -0.0091 -0.0049 863 ALA 115 CA 0.0053 -0.0102 -0.0046 864 ALA 115 C 0.0066 -0.0090 -0.0042 865 ALA 115 O 0.0073 -0.0093 -0.0039 866 ALA 115 CB 0.0060 -0.0113 -0.0044 867 GLU 116 N 0.0070 -0.0077 -0.0040 868 GLU 116 CA 0.0086 -0.0067 -0.0035 869 GLU 116 C 0.0082 -0.0051 -0.0036 870 GLU 116 O 0.0094 -0.0044 -0.0033 871 GLU 116 CB 0.0092 -0.0059 -0.0033 872 GLU 116 CG 0.0100 -0.0071 -0.0031 873 GLU 116 CD 0.0086 -0.0079 -0.0036 874 GLU 116 OE1 0.0070 -0.0075 -0.0040 875 GLU 116 OE2 0.0090 -0.0091 -0.0034 876 PHE 117 N 0.0068 -0.0046 -0.0041 877 PHE 117 CA 0.0062 -0.0033 -0.0042 878 PHE 117 C 0.0061 -0.0036 -0.0042 879 PHE 117 O 0.0049 -0.0032 -0.0046 880 PHE 117 CB 0.0047 -0.0023 -0.0047 881 PHE 117 CG 0.0044 -0.0004 -0.0047 882 PHE 117 CD1 0.0054 0.0007 -0.0044 883 PHE 117 CD2 0.0032 -0.0001 -0.0051 884 PHE 117 CE1 0.0050 0.0024 -0.0045 885 PHE 117 CE2 0.0031 0.0017 -0.0051 886 PHE 117 CZ 0.0040 0.0028 -0.0048 887 THR 118 N 0.0015 -0.0043 -0.0050 888 THR 118 CA 0.0005 -0.0047 -0.0051 889 THR 118 C 0.0003 -0.0049 -0.0062 890 THR 118 O 0.0008 -0.0048 -0.0066 891 THR 118 CB 0.0000 -0.0047 -0.0043 892 THR 118 OG1 0.0002 -0.0046 -0.0044 893 THR 118 CG2 0.0000 -0.0045 -0.0031 894 PRO 119 N -0.0007 -0.0053 -0.0064 895 PRO 119 CA -0.0011 -0.0056 -0.0075 896 PRO 119 C -0.0010 -0.0056 -0.0076 897 PRO 119 O -0.0007 -0.0056 -0.0084 898 PRO 119 CB -0.0022 -0.0060 -0.0075 899 PRO 119 CG -0.0022 -0.0059 -0.0070 900 PRO 119 CD -0.0014 -0.0054 -0.0060 901 ALA 120 N -0.0013 -0.0055 -0.0068 902 ALA 120 CA -0.0012 -0.0055 -0.0067 903 ALA 120 C -0.0001 -0.0051 -0.0068 904 ALA 120 O 0.0002 -0.0052 -0.0075 905 ALA 120 CB -0.0018 -0.0056 -0.0059 906 VAL 121 N 0.0013 -0.0049 -0.0047 907 VAL 121 CA 0.0020 -0.0049 -0.0048 908 VAL 121 C 0.0019 -0.0045 -0.0053 909 VAL 121 O 0.0024 -0.0042 -0.0056 910 VAL 121 CB 0.0022 -0.0055 -0.0042 911 VAL 121 CG1 0.0028 -0.0055 -0.0043 912 VAL 121 CG2 0.0025 -0.0059 -0.0038 913 HIS 122 N 0.0012 -0.0044 -0.0052 914 HIS 122 CA 0.0009 -0.0040 -0.0057 915 HIS 122 C 0.0012 -0.0035 -0.0063 916 HIS 122 O 0.0015 -0.0031 -0.0067 917 HIS 122 CB 0.0001 -0.0041 -0.0055 918 HIS 122 CG -0.0003 -0.0036 -0.0060 919 HIS 122 ND1 -0.0011 -0.0037 -0.0058 920 HIS 122 CD2 -0.0001 -0.0032 -0.0065 921 HIS 122 CE1 -0.0013 -0.0033 -0.0063 922 HIS 122 NE2 -0.0007 -0.0029 -0.0067 923 ALA 123 N 0.0009 -0.0034 -0.0064 924 ALA 123 CA 0.0010 -0.0029 -0.0069 925 ALA 123 C 0.0019 -0.0028 -0.0071 926 ALA 123 O 0.0022 -0.0024 -0.0076 927 ALA 123 CB 0.0006 -0.0029 -0.0069 928 SER 124 N -0.0009 -0.0011 -0.0029 929 SER 124 CA -0.0003 -0.0010 -0.0029 930 SER 124 C -0.0004 -0.0008 -0.0029 931 SER 124 O -0.0000 -0.0003 -0.0030 932 SER 124 CB 0.0002 -0.0015 -0.0028 933 SER 124 OG 0.0004 -0.0017 -0.0027 934 LEU 125 N -0.0009 -0.0011 -0.0029 935 LEU 125 CA -0.0009 -0.0009 -0.0029 936 LEU 125 C -0.0012 -0.0002 -0.0030 937 LEU 125 O -0.0011 0.0001 -0.0031 938 LEU 125 CB -0.0014 -0.0013 -0.0028 939 LEU 125 CG -0.0013 -0.0020 -0.0027 940 LEU 125 CD1 -0.0018 -0.0024 -0.0027 941 LEU 125 CD2 -0.0008 -0.0020 -0.0027 942 ASP 126 N -0.0016 0.0000 -0.0031 943 ASP 126 CA -0.0019 0.0007 -0.0032 944 ASP 126 C -0.0014 0.0011 -0.0033 945 ASP 126 O -0.0012 0.0016 -0.0034 946 ASP 126 CB -0.0024 0.0008 -0.0032 947 ASP 126 CG -0.0028 0.0014 -0.0034 948 ASP 126 OD1 -0.0030 0.0015 -0.0034 949 ASP 126 OD2 -0.0027 0.0018 -0.0034 950 LYS 127 N -0.0033 0.0013 0.0009 951 LYS 127 CA -0.0027 0.0017 0.0005 952 LYS 127 C -0.0029 0.0009 0.0002 953 LYS 127 O -0.0028 0.0012 0.0003 954 LYS 127 CB -0.0018 0.0023 -0.0000 955 LYS 127 CG -0.0014 0.0025 -0.0003 956 LYS 127 CD -0.0005 0.0034 -0.0007 957 LYS 127 CE 0.0002 0.0035 -0.0013 958 LYS 127 NZ 0.0011 0.0039 -0.0020 959 PHE 128 N -0.0030 0.0000 -0.0003 960 PHE 128 CA -0.0032 -0.0008 -0.0007 961 PHE 128 C -0.0040 -0.0010 0.0001 962 PHE 128 O -0.0039 -0.0010 0.0000 963 PHE 128 CB -0.0033 -0.0018 -0.0012 964 PHE 128 CG -0.0036 -0.0027 -0.0014 965 PHE 128 CD1 -0.0030 -0.0029 -0.0021 966 PHE 128 CD2 -0.0044 -0.0034 -0.0011 967 PHE 128 CE1 -0.0034 -0.0037 -0.0023 968 PHE 128 CE2 -0.0048 -0.0045 -0.0013 969 PHE 128 CZ -0.0042 -0.0045 -0.0020 970 LEU 129 N -0.0047 -0.0009 0.0009 971 LEU 129 CA -0.0054 -0.0011 0.0015 972 LEU 129 C -0.0054 -0.0002 0.0020 973 LEU 129 O -0.0057 -0.0003 0.0023 974 LEU 129 CB -0.0063 -0.0014 0.0022 975 LEU 129 CG -0.0066 -0.0024 0.0018 976 LEU 129 CD1 -0.0072 -0.0025 0.0024 977 LEU 129 CD2 -0.0069 -0.0033 0.0016 978 ALA 130 N -0.0049 -0.0008 -0.0008 979 ALA 130 CA -0.0050 -0.0010 -0.0011 980 ALA 130 C -0.0051 -0.0010 -0.0010 981 ALA 130 O -0.0050 -0.0011 -0.0012 982 ALA 130 CB -0.0054 -0.0014 -0.0012 983 SER 131 N -0.0053 -0.0009 -0.0006 984 SER 131 CA -0.0053 -0.0008 -0.0004 985 SER 131 C -0.0049 -0.0005 -0.0005 986 SER 131 O -0.0050 -0.0006 -0.0006 987 SER 131 CB -0.0056 -0.0007 0.0000 988 SER 131 OG -0.0059 -0.0010 0.0000 989 VAL 132 N -0.0047 -0.0003 -0.0003 990 VAL 132 CA -0.0044 -0.0000 -0.0004 991 VAL 132 C -0.0042 -0.0002 -0.0008 992 VAL 132 O -0.0041 -0.0001 -0.0009 993 VAL 132 CB -0.0042 0.0002 -0.0003 994 VAL 132 CG1 -0.0037 0.0005 -0.0003 995 VAL 132 CG2 -0.0043 0.0004 0.0002 996 SER 133 N -0.0016 0.0004 -0.0020 997 SER 133 CA -0.0014 0.0001 -0.0027 998 SER 133 C -0.0017 -0.0003 -0.0025 999 SER 133 O -0.0014 -0.0001 -0.0028 1000 SER 133 CB -0.0013 -0.0003 -0.0033 1001 SER 133 OG -0.0009 0.0001 -0.0035 1002 THR 134 N -0.0021 -0.0008 -0.0021 1003 THR 134 CA -0.0023 -0.0011 -0.0019 1004 THR 134 C -0.0024 -0.0007 -0.0015 1005 THR 134 O -0.0024 -0.0007 -0.0015 1006 THR 134 CB -0.0028 -0.0017 -0.0016 1007 THR 134 OG1 -0.0029 -0.0023 -0.0019 1008 THR 134 CG2 -0.0032 -0.0021 -0.0012 1009 VAL 135 N -0.0024 -0.0001 -0.0009 1010 VAL 135 CA -0.0024 0.0004 -0.0004 1011 VAL 135 C -0.0020 0.0009 -0.0009 1012 VAL 135 O -0.0019 0.0010 -0.0008 1013 VAL 135 CB -0.0026 0.0009 0.0002 1014 VAL 135 CG1 -0.0024 0.0016 0.0006 1015 VAL 135 CG2 -0.0030 0.0004 0.0007 1016 LEU 136 N -0.0013 -0.0015 -0.0000 1017 LEU 136 CA -0.0011 -0.0010 -0.0005 1018 LEU 136 C -0.0008 -0.0027 0.0001 1019 LEU 136 O -0.0010 -0.0023 0.0001 1020 LEU 136 CB -0.0000 0.0004 -0.0020 1021 LEU 136 CG -0.0007 0.0027 -0.0026 1022 LEU 136 CD1 0.0008 0.0034 -0.0042 1023 LEU 136 CD2 -0.0025 0.0037 -0.0017 1024 THR 137 N -0.0000 -0.0044 0.0003 1025 THR 137 CA 0.0007 -0.0063 0.0006 1026 THR 137 C -0.0006 -0.0074 0.0022 1027 THR 137 O -0.0003 -0.0090 0.0027 1028 THR 137 CB 0.0027 -0.0079 -0.0002 1029 THR 137 OG1 0.0035 -0.0064 -0.0016 1030 THR 137 CG2 0.0027 -0.0074 -0.0004 1031 SER 138 N -0.0019 -0.0069 0.0030 1032 SER 138 CA -0.0031 -0.0079 0.0045 1033 SER 138 C -0.0042 -0.0086 0.0057 1034 SER 138 O -0.0043 -0.0102 0.0066 1035 SER 138 CB -0.0053 -0.0060 0.0053 1036 SER 138 OG -0.0041 -0.0075 0.0051 1037 LYS 139 N -0.0020 -0.0070 0.0058 1038 LYS 139 CA -0.0026 -0.0067 0.0066 1039 LYS 139 C -0.0020 -0.0070 0.0059 1040 LYS 139 O -0.0023 -0.0066 0.0061 1041 LYS 139 CB -0.0032 -0.0054 0.0069 1042 LYS 139 CG -0.0037 -0.0052 0.0075 1043 LYS 139 CD -0.0043 -0.0038 0.0076 1044 LYS 139 CE -0.0049 -0.0036 0.0084 1045 LYS 139 NZ -0.0053 -0.0017 0.0081 1046 TYR 140 N -0.0012 -0.0075 0.0050 1047 TYR 140 CA -0.0007 -0.0077 0.0044 1048 TYR 140 C -0.0008 -0.0086 0.0049 1049 TYR 140 O -0.0007 -0.0083 0.0047 1050 TYR 140 CB 0.0002 -0.0083 0.0033 1051 TYR 140 CG 0.0005 -0.0072 0.0023 1052 TYR 140 CD1 0.0013 -0.0073 0.0012 1053 TYR 140 CD2 0.0001 -0.0061 0.0023 1054 TYR 140 CE1 0.0016 -0.0063 0.0003 1055 TYR 140 CE2 0.0005 -0.0052 0.0013 1056 TYR 140 CZ 0.0013 -0.0054 0.0003 1057 TYR 140 OH 0.0016 -0.0046 -0.0005 1058 ARG 141 N -0.0011 -0.0094 0.0057 1059 ARG 141 CA -0.0012 -0.0105 0.0064 1060 ARG 141 C -0.0019 -0.0109 0.0076 1061 ARG 141 O -0.0019 -0.0109 0.0076 1062 ARG 141 CB -0.0005 -0.0112 0.0057 1063 ARG 141 CG 0.0001 -0.0123 0.0054 1064 ARG 141 CD 0.0007 -0.0132 0.0049 1065 ARG 141 NE 0.0011 -0.0138 0.0046 1066 ARG 141 CZ 0.0017 -0.0150 0.0043 1067 ARG 141 NH1 0.0021 -0.0155 0.0040 1068 ARG 141 NH2 0.0021 -0.0157 0.0041 1069 ARG 141 OXT -0.0021 -0.0114 0.0081 1070 VAL 1 N 0.0015 -0.0328 -0.0130 1071 VAL 1 CA -0.0006 -0.0234 -0.0089 1072 VAL 1 C -0.0016 -0.0135 -0.0181 1073 VAL 1 O 0.0001 -0.0190 -0.0266 1074 VAL 1 CB -0.0020 -0.0200 0.0005 1075 VAL 1 CG1 -0.0029 -0.0185 0.0090 1076 VAL 1 CG2 -0.0016 -0.0217 -0.0003 1077 HIS 2 N -0.0025 -0.0102 -0.0149 1078 HIS 2 CA -0.0031 -0.0037 -0.0219 1079 HIS 2 C -0.0048 0.0041 -0.0185 1080 HIS 2 O -0.0066 0.0106 -0.0119 1081 HIS 2 CB -0.0053 0.0064 -0.0178 1082 HIS 2 CG -0.0061 0.0116 -0.0193 1083 HIS 2 ND1 -0.0084 0.0206 -0.0118 1084 HIS 2 CD2 -0.0055 0.0140 -0.0325 1085 HIS 2 CE1 -0.0088 0.0283 -0.0237 1086 HIS 2 NE2 -0.0075 0.0257 -0.0337 1087 LEU 3 N -0.0041 0.0018 -0.0227 1088 LEU 3 CA -0.0053 0.0086 -0.0225 1089 LEU 3 C -0.0053 0.0127 -0.0321 1090 LEU 3 O -0.0042 0.0096 -0.0387 1091 LEU 3 CB -0.0038 0.0002 -0.0218 1092 LEU 3 CG -0.0037 -0.0046 -0.0126 1093 LEU 3 CD1 -0.0027 -0.0100 -0.0131 1094 LEU 3 CD2 -0.0053 0.0018 -0.0074 1095 THR 4 N -0.0007 0.0180 -0.0403 1096 THR 4 CA -0.0038 0.0122 -0.0289 1097 THR 4 C -0.0103 0.0106 -0.0201 1098 THR 4 O -0.0115 0.0108 -0.0192 1099 THR 4 CB 0.0087 0.0050 -0.0312 1100 THR 4 OG1 0.0138 -0.0011 -0.0276 1101 THR 4 CG2 0.0182 0.0049 -0.0406 1102 PRO 5 N -0.0127 0.0048 -0.0096 1103 PRO 5 CA -0.0194 0.0034 -0.0008 1104 PRO 5 C -0.0147 -0.0029 0.0034 1105 PRO 5 O -0.0207 -0.0023 0.0085 1106 PRO 5 CB -0.0242 -0.0004 0.0093 1107 PRO 5 CG -0.0205 0.0024 0.0016 1108 PRO 5 CD -0.0147 0.0060 -0.0093 1109 GLU 6 N -0.0037 -0.0084 0.0002 1110 GLU 6 CA 0.0018 -0.0157 0.0051 1111 GLU 6 C 0.0023 -0.0107 -0.0025 1112 GLU 6 O 0.0023 -0.0150 0.0036 1113 GLU 6 CB 0.0151 -0.0227 0.0016 1114 GLU 6 CG 0.0211 -0.0226 -0.0044 1115 GLU 6 CD 0.0178 -0.0193 -0.0058 1116 GLU 6 OE1 0.0081 -0.0210 0.0063 1117 GLU 6 OE2 0.0150 -0.0139 -0.0107 1118 GLU 7 N -0.0013 -0.0008 -0.0075 1119 GLU 7 CA -0.0016 0.0021 -0.0126 1120 GLU 7 C -0.0065 0.0050 -0.0095 1121 GLU 7 O -0.0068 0.0056 -0.0101 1122 GLU 7 CB -0.0006 0.0030 -0.0161 1123 GLU 7 CG 0.0050 -0.0003 -0.0197 1124 GLU 7 CD 0.0052 0.0021 -0.0247 1125 GLU 7 OE1 0.0088 0.0006 -0.0282 1126 GLU 7 OE2 0.0031 0.0048 -0.0261 1127 LYS 8 N -0.0096 0.0073 -0.0086 1128 LYS 8 CA -0.0137 0.0102 -0.0067 1129 LYS 8 C -0.0143 0.0084 -0.0022 1130 LYS 8 O -0.0168 0.0101 -0.0009 1131 LYS 8 CB -0.0169 0.0123 -0.0053 1132 LYS 8 CG -0.0194 0.0136 -0.0032 1133 LYS 8 CD -0.0246 0.0167 -0.0001 1134 LYS 8 CE -0.0283 0.0186 0.0030 1135 LYS 8 NZ -0.0327 0.0194 0.0091 1136 SER 9 N -0.0131 0.0051 0.0021 1137 SER 9 CA -0.0135 0.0036 0.0057 1138 SER 9 C -0.0113 0.0019 0.0053 1139 SER 9 O -0.0132 0.0025 0.0074 1140 SER 9 CB -0.0133 0.0004 0.0117 1141 SER 9 OG -0.0091 -0.0027 0.0102 1142 ALA 10 N -0.0095 0.0048 -0.0004 1143 ALA 10 CA -0.0109 0.0056 -0.0026 1144 ALA 10 C -0.0101 0.0069 -0.0033 1145 ALA 10 O -0.0103 0.0086 -0.0055 1146 ALA 10 CB -0.0133 0.0038 -0.0025 1147 VAL 11 N -0.0090 0.0061 -0.0014 1148 VAL 11 CA -0.0079 0.0072 -0.0018 1149 VAL 11 C -0.0059 0.0096 -0.0028 1150 VAL 11 O -0.0059 0.0111 -0.0045 1151 VAL 11 CB -0.0073 0.0057 0.0004 1152 VAL 11 CG1 -0.0057 0.0068 0.0005 1153 VAL 11 CG2 -0.0097 0.0037 0.0008 1154 THR 12 N -0.0043 0.0095 -0.0013 1155 THR 12 CA -0.0017 0.0115 -0.0014 1156 THR 12 C -0.0021 0.0133 -0.0038 1157 THR 12 O -0.0014 0.0152 -0.0054 1158 THR 12 CB 0.0003 0.0112 0.0007 1159 THR 12 OG1 0.0007 0.0101 0.0023 1160 THR 12 CG2 0.0002 0.0116 0.0002 1161 ALA 13 N -0.0009 0.0197 -0.0130 1162 ALA 13 CA -0.0017 0.0217 -0.0150 1163 ALA 13 C -0.0026 0.0220 -0.0142 1164 ALA 13 O -0.0015 0.0218 -0.0156 1165 ALA 13 CB -0.0048 0.0250 -0.0161 1166 LEU 14 N -0.0050 0.0218 -0.0105 1167 LEU 14 CA -0.0053 0.0212 -0.0091 1168 LEU 14 C -0.0025 0.0186 -0.0090 1169 LEU 14 O -0.0022 0.0183 -0.0089 1170 LEU 14 CB -0.0083 0.0215 -0.0053 1171 LEU 14 CG -0.0101 0.0221 -0.0039 1172 LEU 14 CD1 -0.0113 0.0244 -0.0060 1173 LEU 14 CD2 -0.0115 0.0208 0.0003 1174 TRP 15 N -0.0007 0.0161 -0.0074 1175 TRP 15 CA 0.0021 0.0133 -0.0067 1176 TRP 15 C 0.0046 0.0133 -0.0102 1177 TRP 15 O 0.0060 0.0116 -0.0095 1178 TRP 15 CB 0.0034 0.0111 -0.0049 1179 TRP 15 CG 0.0058 0.0080 -0.0032 1180 TRP 15 CD1 0.0088 0.0060 -0.0043 1181 TRP 15 CD2 0.0046 0.0069 0.0002 1182 TRP 15 NE1 0.0101 0.0035 -0.0020 1183 TRP 15 CE2 0.0074 0.0040 0.0010 1184 TRP 15 CE3 0.0015 0.0081 0.0027 1185 TRP 15 CZ2 0.0070 0.0023 0.0043 1186 TRP 15 CZ3 0.0014 0.0062 0.0059 1187 TRP 15 CH2 0.0042 0.0035 0.0065 1188 GLY 16 N 0.0115 0.0206 -0.0233 1189 GLY 16 CA 0.0149 0.0207 -0.0293 1190 GLY 16 C 0.0128 0.0227 -0.0277 1191 GLY 16 O 0.0157 0.0210 -0.0310 1192 LYS 17 N 0.0085 0.0257 -0.0231 1193 LYS 17 CA 0.0060 0.0282 -0.0212 1194 LYS 17 C 0.0052 0.0238 -0.0153 1195 LYS 17 O 0.0034 0.0247 -0.0130 1196 LYS 17 CB 0.0009 0.0348 -0.0188 1197 LYS 17 CG 0.0017 0.0403 -0.0255 1198 LYS 17 CD -0.0024 0.0467 -0.0247 1199 LYS 17 CE -0.0025 0.0528 -0.0306 1200 LYS 17 NZ -0.0073 0.0580 -0.0273 1201 VAL 18 N 0.0064 0.0178 -0.0116 1202 VAL 18 CA 0.0054 0.0132 -0.0052 1203 VAL 18 C 0.0093 0.0077 -0.0067 1204 VAL 18 O 0.0136 0.0039 -0.0106 1205 VAL 18 CB 0.0059 0.0090 -0.0021 1206 VAL 18 CG1 0.0057 0.0037 0.0036 1207 VAL 18 CG2 0.0002 0.0153 0.0017 1208 ASN 19 N 0.0073 -0.0124 0.0196 1209 ASN 19 CA 0.0047 -0.0157 0.0200 1210 ASN 19 C 0.0055 -0.0127 0.0186 1211 ASN 19 O 0.0094 -0.0116 0.0203 1212 ASN 19 CB 0.0074 -0.0194 0.0239 1213 ASN 19 CG 0.0057 -0.0217 0.0243 1214 ASN 19 OD1 0.0034 -0.0213 0.0226 1215 ASN 19 ND2 0.0062 -0.0261 0.0273 1216 VAL 20 N 0.0020 -0.0119 0.0160 1217 VAL 20 CA 0.0021 -0.0083 0.0139 1218 VAL 20 C 0.0034 -0.0097 0.0155 1219 VAL 20 O 0.0066 -0.0075 0.0161 1220 VAL 20 CB -0.0025 -0.0075 0.0105 1221 VAL 20 CG1 -0.0020 -0.0041 0.0088 1222 VAL 20 CG2 -0.0031 -0.0050 0.0086 1223 ASP 21 N 0.0029 -0.0136 0.0176 1224 ASP 21 CA 0.0039 -0.0153 0.0193 1225 ASP 21 C 0.0085 -0.0155 0.0221 1226 ASP 21 O 0.0110 -0.0135 0.0225 1227 ASP 21 CB 0.0012 -0.0200 0.0204 1228 ASP 21 CG -0.0046 -0.0208 0.0175 1229 ASP 21 OD1 -0.0046 -0.0173 0.0153 1230 ASP 21 OD2 -0.0056 -0.0253 0.0196 1231 GLU 22 N 0.0080 -0.0143 0.0124 1232 GLU 22 CA 0.0112 -0.0146 0.0142 1233 GLU 22 C 0.0129 -0.0112 0.0140 1234 GLU 22 O 0.0150 -0.0105 0.0149 1235 GLU 22 CB 0.0109 -0.0161 0.0145 1236 GLU 22 CG 0.0134 -0.0159 0.0157 1237 GLU 22 CD 0.0155 -0.0164 0.0170 1238 GLU 22 OE1 0.0126 -0.0159 0.0153 1239 GLU 22 OE2 0.0128 -0.0205 0.0168 1240 VAL 23 N 0.0114 -0.0095 0.0127 1241 VAL 23 CA 0.0126 -0.0063 0.0124 1242 VAL 23 C 0.0127 -0.0045 0.0119 1243 VAL 23 O 0.0150 -0.0024 0.0124 1244 VAL 23 CB 0.0109 -0.0048 0.0110 1245 VAL 23 CG1 0.0118 -0.0016 0.0105 1246 VAL 23 CG2 0.0116 -0.0068 0.0120 1247 GLY 24 N 0.0108 -0.0052 0.0111 1248 GLY 24 CA 0.0110 -0.0038 0.0107 1249 GLY 24 C 0.0134 -0.0041 0.0121 1250 GLY 24 O 0.0151 -0.0023 0.0124 1251 GLY 25 N 0.0090 -0.0043 0.0063 1252 GLY 25 CA 0.0082 -0.0037 0.0053 1253 GLY 25 C 0.0078 -0.0048 0.0044 1254 GLY 25 O 0.0071 -0.0049 0.0035 1255 GLU 26 N 0.0081 -0.0053 0.0048 1256 GLU 26 CA 0.0078 -0.0063 0.0040 1257 GLU 26 C 0.0078 -0.0075 0.0036 1258 GLU 26 O 0.0072 -0.0079 0.0026 1259 GLU 26 CB 0.0083 -0.0066 0.0046 1260 GLU 26 CG 0.0077 -0.0070 0.0036 1261 GLU 26 CD 0.0072 -0.0071 0.0029 1262 GLU 26 OE1 0.0083 -0.0092 0.0039 1263 GLU 26 OE2 0.0085 -0.0068 0.0049 1264 ALA 27 N 0.0085 -0.0080 0.0044 1265 ALA 27 CA 0.0084 -0.0093 0.0040 1266 ALA 27 C 0.0079 -0.0091 0.0033 1267 ALA 27 O 0.0075 -0.0099 0.0026 1268 ALA 27 CB 0.0093 -0.0097 0.0051 1269 LEU 28 N 0.0070 -0.0054 -0.0005 1270 LEU 28 CA 0.0055 -0.0051 -0.0016 1271 LEU 28 C 0.0033 -0.0049 -0.0033 1272 LEU 28 O 0.0017 -0.0061 -0.0049 1273 LEU 28 CB 0.0060 -0.0040 -0.0008 1274 LEU 28 CG 0.0044 -0.0051 -0.0025 1275 LEU 28 CD1 0.0055 -0.0076 -0.0023 1276 LEU 28 CD2 0.0049 -0.0029 -0.0014 1277 GLY 29 N 0.0026 -0.0026 -0.0031 1278 GLY 29 CA 0.0004 -0.0021 -0.0047 1279 GLY 29 C -0.0003 -0.0043 -0.0059 1280 GLY 29 O -0.0021 -0.0050 -0.0075 1281 ARG 30 N 0.0013 -0.0054 -0.0050 1282 ARG 30 CA 0.0005 -0.0073 -0.0062 1283 ARG 30 C 0.0005 -0.0101 -0.0070 1284 ARG 30 O -0.0010 -0.0113 -0.0085 1285 ARG 30 CB 0.0023 -0.0080 -0.0050 1286 ARG 30 CG 0.0018 -0.0062 -0.0048 1287 ARG 30 CD 0.0037 -0.0071 -0.0036 1288 ARG 30 NE 0.0037 -0.0050 -0.0030 1289 ARG 30 CZ 0.0029 -0.0047 -0.0035 1290 ARG 30 NH1 0.0020 -0.0069 -0.0049 1291 ARG 30 NH2 0.0027 -0.0028 -0.0031 1292 LEU 31 N 0.0000 -0.0072 -0.0085 1293 LEU 31 CA -0.0000 -0.0074 -0.0087 1294 LEU 31 C -0.0004 -0.0069 -0.0097 1295 LEU 31 O -0.0005 -0.0074 -0.0104 1296 LEU 31 CB 0.0002 -0.0071 -0.0079 1297 LEU 31 CG 0.0001 -0.0072 -0.0081 1298 LEU 31 CD1 0.0003 -0.0084 -0.0081 1299 LEU 31 CD2 0.0003 -0.0066 -0.0073 1300 LEU 32 N -0.0005 -0.0059 -0.0098 1301 LEU 32 CA -0.0008 -0.0054 -0.0106 1302 LEU 32 C -0.0011 -0.0057 -0.0116 1303 LEU 32 O -0.0014 -0.0055 -0.0125 1304 LEU 32 CB -0.0009 -0.0041 -0.0105 1305 LEU 32 CG -0.0008 -0.0037 -0.0099 1306 LEU 32 CD1 -0.0006 -0.0040 -0.0093 1307 LEU 32 CD2 -0.0008 -0.0026 -0.0095 1308 VAL 33 N -0.0010 -0.0060 -0.0115 1309 VAL 33 CA -0.0012 -0.0064 -0.0124 1310 VAL 33 C -0.0012 -0.0076 -0.0128 1311 VAL 33 O -0.0015 -0.0077 -0.0137 1312 VAL 33 CB -0.0011 -0.0064 -0.0121 1313 VAL 33 CG1 -0.0013 -0.0069 -0.0130 1314 VAL 33 CG2 -0.0012 -0.0053 -0.0121 1315 VAL 34 N 0.0009 -0.0067 -0.0131 1316 VAL 34 CA 0.0012 -0.0063 -0.0132 1317 VAL 34 C 0.0016 -0.0040 -0.0129 1318 VAL 34 O 0.0027 -0.0036 -0.0132 1319 VAL 34 CB -0.0008 -0.0072 -0.0126 1320 VAL 34 CG1 -0.0007 -0.0069 -0.0126 1321 VAL 34 CG2 -0.0010 -0.0093 -0.0129 1322 TYR 35 N 0.0008 -0.0026 -0.0123 1323 TYR 35 CA 0.0010 -0.0003 -0.0120 1324 TYR 35 C 0.0020 0.0008 -0.0122 1325 TYR 35 O 0.0007 0.0016 -0.0116 1326 TYR 35 CB -0.0010 0.0005 -0.0112 1327 TYR 35 CG -0.0020 -0.0006 -0.0110 1328 TYR 35 CD1 -0.0013 -0.0005 -0.0113 1329 TYR 35 CD2 -0.0038 -0.0019 -0.0107 1330 TYR 35 CE1 -0.0023 -0.0015 -0.0111 1331 TYR 35 CE2 -0.0043 -0.0031 -0.0107 1332 TYR 35 CZ -0.0039 -0.0028 -0.0108 1333 TYR 35 OH -0.0047 -0.0042 -0.0108 1334 PRO 36 N 0.0038 0.0005 -0.0128 1335 PRO 36 CA 0.0047 0.0010 -0.0130 1336 PRO 36 C 0.0046 0.0033 -0.0126 1337 PRO 36 O 0.0048 0.0038 -0.0126 1338 PRO 36 CB 0.0069 0.0005 -0.0139 1339 PRO 36 CG 0.0074 -0.0002 -0.0142 1340 PRO 36 CD 0.0054 -0.0003 -0.0135 1341 TRP 37 N 0.0056 0.0037 -0.0114 1342 TRP 37 CA 0.0057 0.0043 -0.0112 1343 TRP 37 C 0.0047 0.0042 -0.0116 1344 TRP 37 O 0.0047 0.0045 -0.0115 1345 TRP 37 CB 0.0055 0.0056 -0.0109 1346 TRP 37 CG 0.0047 0.0060 -0.0111 1347 TRP 37 CD1 0.0036 0.0066 -0.0113 1348 TRP 37 CD2 0.0047 0.0060 -0.0111 1349 TRP 37 NE1 0.0031 0.0067 -0.0114 1350 TRP 37 CE2 0.0036 0.0065 -0.0113 1351 TRP 37 CE3 0.0054 0.0054 -0.0110 1352 TRP 37 CZ2 0.0032 0.0066 -0.0114 1353 TRP 37 CZ3 0.0050 0.0057 -0.0110 1354 TRP 37 CH2 0.0041 0.0061 -0.0112 1355 THR 38 N 0.0039 0.0036 -0.0121 1356 THR 38 CA 0.0030 0.0033 -0.0125 1357 THR 38 C 0.0035 0.0026 -0.0126 1358 THR 38 O 0.0029 0.0022 -0.0129 1359 THR 38 CB 0.0020 0.0029 -0.0130 1360 THR 38 OG1 0.0025 0.0021 -0.0131 1361 THR 38 CG2 0.0017 0.0038 -0.0128 1362 GLN 39 N 0.0044 0.0020 -0.0124 1363 GLN 39 CA 0.0051 0.0011 -0.0125 1364 GLN 39 C 0.0053 0.0016 -0.0122 1365 GLN 39 O 0.0054 0.0010 -0.0124 1366 GLN 39 CB 0.0060 0.0005 -0.0123 1367 GLN 39 CG 0.0058 -0.0001 -0.0126 1368 GLN 39 CD 0.0069 -0.0007 -0.0124 1369 GLN 39 OE1 0.0077 -0.0007 -0.0121 1370 GLN 39 NE2 0.0068 -0.0011 -0.0126 1371 ARG 40 N 0.0029 -0.0002 -0.0136 1372 ARG 40 CA 0.0037 0.0018 -0.0127 1373 ARG 40 C 0.0035 0.0028 -0.0113 1374 ARG 40 O 0.0047 0.0044 -0.0113 1375 ARG 40 CB 0.0030 0.0020 -0.0115 1376 ARG 40 CG 0.0017 0.0019 -0.0097 1377 ARG 40 CD 0.0010 0.0018 -0.0088 1378 ARG 40 NE 0.0019 0.0031 -0.0086 1379 ARG 40 CZ 0.0022 0.0050 -0.0070 1380 ARG 40 NH1 0.0013 0.0050 -0.0058 1381 ARG 40 NH2 0.0033 0.0061 -0.0075 1382 PHE 41 N 0.0026 0.0022 -0.0106 1383 PHE 41 CA 0.0023 0.0033 -0.0091 1384 PHE 41 C 0.0033 0.0034 -0.0103 1385 PHE 41 O 0.0032 0.0042 -0.0092 1386 PHE 41 CB 0.0005 0.0019 -0.0080 1387 PHE 41 CG -0.0003 0.0019 -0.0068 1388 PHE 41 CD1 -0.0012 0.0002 -0.0075 1389 PHE 41 CD2 -0.0002 0.0036 -0.0052 1390 PHE 41 CE1 -0.0021 0.0002 -0.0063 1391 PHE 41 CE2 -0.0010 0.0033 -0.0043 1392 PHE 41 CZ -0.0019 0.0015 -0.0050 1393 PHE 42 N 0.0037 0.0025 -0.0120 1394 PHE 42 CA 0.0040 0.0018 -0.0131 1395 PHE 42 C 0.0056 0.0024 -0.0147 1396 PHE 42 O 0.0061 0.0019 -0.0160 1397 PHE 42 CB 0.0029 -0.0003 -0.0138 1398 PHE 42 CG 0.0014 -0.0007 -0.0122 1399 PHE 42 CD1 0.0001 -0.0023 -0.0120 1400 PHE 42 CD2 0.0006 -0.0005 -0.0108 1401 PHE 42 CE1 -0.0014 -0.0025 -0.0102 1402 PHE 42 CE2 -0.0008 -0.0009 -0.0092 1403 PHE 42 CZ -0.0021 -0.0023 -0.0090 1404 GLU 43 N -0.0064 0.0021 -0.0141 1405 GLU 43 CA -0.0084 -0.0000 -0.0090 1406 GLU 43 C -0.0157 -0.0036 -0.0080 1407 GLU 43 O -0.0179 -0.0058 -0.0029 1408 GLU 43 CB -0.0081 0.0011 -0.0131 1409 GLU 43 CG -0.0123 0.0005 -0.0187 1410 GLU 43 CD -0.0086 0.0029 -0.0216 1411 GLU 43 OE1 -0.0063 0.0031 -0.0181 1412 GLU 43 OE2 -0.0139 0.0016 -0.0263 1413 SER 44 N -0.0186 -0.0041 -0.0113 1414 SER 44 CA -0.0247 -0.0075 -0.0088 1415 SER 44 C -0.0230 -0.0084 -0.0017 1416 SER 44 O -0.0268 -0.0106 0.0004 1417 SER 44 CB -0.0270 -0.0074 -0.0136 1418 SER 44 OG -0.0270 -0.0069 -0.0157 1419 PHE 45 N -0.0178 -0.0064 -0.0001 1420 PHE 45 CA -0.0158 -0.0067 0.0052 1421 PHE 45 C -0.0153 -0.0079 0.0110 1422 PHE 45 O -0.0137 -0.0084 0.0161 1423 PHE 45 CB -0.0095 -0.0034 0.0033 1424 PHE 45 CG -0.0102 -0.0026 -0.0015 1425 PHE 45 CD1 -0.0050 -0.0003 -0.0011 1426 PHE 45 CD2 -0.0131 -0.0029 -0.0058 1427 PHE 45 CE1 -0.0057 0.0006 -0.0065 1428 PHE 45 CE2 -0.0151 -0.0026 -0.0108 1429 PHE 45 CZ -0.0096 -0.0004 -0.0097 1430 GLY 46 N -0.0073 -0.0144 0.0044 1431 GLY 46 CA -0.0022 -0.0198 0.0063 1432 GLY 46 C 0.0029 -0.0184 0.0086 1433 GLY 46 O 0.0042 -0.0103 0.0098 1434 ASP 47 N 0.0039 -0.0234 0.0087 1435 ASP 47 CA 0.0106 -0.0220 0.0118 1436 ASP 47 C 0.0067 -0.0192 0.0102 1437 ASP 47 O 0.0008 -0.0218 0.0074 1438 ASP 47 CB 0.0113 -0.0308 0.0114 1439 ASP 47 CG 0.0180 -0.0313 0.0143 1440 ASP 47 OD1 0.0197 -0.0367 0.0147 1441 ASP 47 OD2 0.0220 -0.0228 0.0167 1442 LEU 48 N 0.0091 -0.0111 0.0119 1443 LEU 48 CA 0.0069 -0.0053 0.0114 1444 LEU 48 C 0.0138 -0.0043 0.0145 1445 LEU 48 O 0.0135 0.0011 0.0147 1446 LEU 48 CB 0.0027 0.0006 0.0099 1447 LEU 48 CG -0.0042 -0.0010 0.0067 1448 LEU 48 CD1 -0.0079 0.0068 0.0057 1449 LEU 48 CD2 -0.0093 -0.0049 0.0042 1450 SER 49 N 0.0241 -0.0097 0.0334 1451 SER 49 CA 0.0201 -0.0055 0.0432 1452 SER 49 C 0.0157 -0.0067 0.0327 1453 SER 49 O 0.0057 -0.0002 0.0429 1454 SER 49 CB 0.0357 -0.0118 0.0420 1455 SER 49 OG 0.0360 -0.0165 0.0247 1456 THR 50 N 0.0058 -0.0056 0.0231 1457 THR 50 CA -0.0050 -0.0033 0.0164 1458 THR 50 C -0.0157 -0.0016 0.0078 1459 THR 50 O -0.0100 -0.0045 0.0051 1460 THR 50 CB 0.0007 -0.0073 0.0094 1461 THR 50 OG1 0.0021 -0.0117 -0.0048 1462 THR 50 CG2 0.0090 -0.0096 0.0126 1463 PRO 51 N -0.0272 0.0014 0.0029 1464 PRO 51 CA -0.0363 0.0032 -0.0029 1465 PRO 51 C -0.0318 -0.0020 -0.0161 1466 PRO 51 O -0.0304 -0.0039 -0.0212 1467 PRO 51 CB -0.0488 0.0071 -0.0058 1468 PRO 51 CG -0.0483 0.0104 0.0070 1469 PRO 51 CD -0.0354 0.0062 0.0092 1470 ASP 52 N -0.0264 -0.0058 -0.0256 1471 ASP 52 CA -0.0216 -0.0055 -0.0333 1472 ASP 52 C -0.0125 -0.0059 -0.0306 1473 ASP 52 O -0.0084 -0.0059 -0.0337 1474 ASP 52 CB -0.0206 -0.0051 -0.0403 1475 ASP 52 CG -0.0294 -0.0044 -0.0483 1476 ASP 52 OD1 -0.0344 -0.0044 -0.0468 1477 ASP 52 OD2 -0.0331 -0.0043 -0.0480 1478 ALA 53 N -0.0080 -0.0064 -0.0243 1479 ALA 53 CA 0.0013 -0.0069 -0.0209 1480 ALA 53 C 0.0021 -0.0071 -0.0168 1481 ALA 53 O 0.0066 -0.0073 -0.0162 1482 ALA 53 CB 0.0048 -0.0073 -0.0153 1483 VAL 54 N -0.0058 -0.0072 -0.0107 1484 VAL 54 CA -0.0075 -0.0074 -0.0059 1485 VAL 54 C -0.0091 -0.0071 -0.0116 1486 VAL 54 O -0.0048 -0.0072 -0.0112 1487 VAL 54 CB -0.0157 -0.0076 0.0020 1488 VAL 54 CG1 -0.0177 -0.0077 0.0051 1489 VAL 54 CG2 -0.0146 -0.0080 0.0081 1490 MET 55 N -0.0087 -0.0044 -0.0060 1491 MET 55 CA -0.0063 -0.0034 -0.0048 1492 MET 55 C -0.0053 -0.0003 -0.0042 1493 MET 55 O -0.0028 0.0001 -0.0031 1494 MET 55 CB -0.0069 -0.0027 -0.0051 1495 MET 55 CG -0.0078 -0.0056 -0.0056 1496 MET 55 SD -0.0052 -0.0088 -0.0045 1497 MET 55 CE -0.0024 -0.0076 -0.0032 1498 GLY 56 N -0.0073 0.0013 -0.0051 1499 GLY 56 CA -0.0062 0.0042 -0.0045 1500 GLY 56 C -0.0062 0.0040 -0.0045 1501 GLY 56 O -0.0049 0.0060 -0.0038 1502 ASN 57 N -0.0055 0.0015 -0.0043 1503 ASN 57 CA -0.0054 0.0010 -0.0042 1504 ASN 57 C -0.0024 0.0013 -0.0028 1505 ASN 57 O -0.0003 -0.0004 -0.0019 1506 ASN 57 CB -0.0063 -0.0019 -0.0048 1507 ASN 57 CG -0.0057 -0.0026 -0.0045 1508 ASN 57 OD1 -0.0038 -0.0023 -0.0036 1509 ASN 57 ND2 -0.0081 -0.0032 -0.0056 1510 PRO 58 N -0.0111 0.0147 0.0109 1511 PRO 58 CA -0.0082 0.0150 0.0118 1512 PRO 58 C -0.0059 0.0117 0.0097 1513 PRO 58 O -0.0021 0.0118 0.0107 1514 PRO 58 CB -0.0114 0.0184 0.0137 1515 PRO 58 CG -0.0148 0.0184 0.0129 1516 PRO 58 CD -0.0168 0.0173 0.0116 1517 LYS 59 N -0.0090 0.0090 0.0070 1518 LYS 59 CA -0.0074 0.0052 0.0045 1519 LYS 59 C -0.0037 0.0027 0.0033 1520 LYS 59 O 0.0001 0.0012 0.0030 1521 LYS 59 CB -0.0111 0.0034 0.0022 1522 LYS 59 CG -0.0135 0.0047 0.0027 1523 LYS 59 CD -0.0168 0.0058 0.0028 1524 LYS 59 CE -0.0186 0.0076 0.0037 1525 LYS 59 NZ -0.0239 0.0057 0.0011 1526 VAL 60 N -0.0043 0.0035 0.0038 1527 VAL 60 CA -0.0010 0.0015 0.0031 1528 VAL 60 C 0.0035 0.0026 0.0049 1529 VAL 60 O 0.0078 0.0012 0.0048 1530 VAL 60 CB -0.0024 0.0012 0.0025 1531 VAL 60 CG1 0.0018 0.0007 0.0030 1532 VAL 60 CG2 -0.0065 -0.0007 0.0001 1533 LYS 61 N 0.0051 0.0052 0.0076 1534 LYS 61 CA 0.0057 0.0041 0.0113 1535 LYS 61 C 0.0041 0.0056 0.0134 1536 LYS 61 O 0.0050 0.0044 0.0148 1537 LYS 61 CB 0.0048 0.0048 0.0137 1538 LYS 61 CG 0.0063 0.0033 0.0130 1539 LYS 61 CD 0.0048 0.0046 0.0151 1540 LYS 61 CE 0.0077 0.0015 0.0158 1541 LYS 61 NZ 0.0062 0.0029 0.0174 1542 ALA 62 N 0.0018 0.0081 0.0127 1543 ALA 62 CA 0.0004 0.0094 0.0143 1544 ALA 62 C 0.0015 0.0085 0.0125 1545 ALA 62 O 0.0013 0.0085 0.0142 1546 ALA 62 CB -0.0023 0.0125 0.0133 1547 HIS 63 N 0.0016 0.0088 0.0088 1548 HIS 63 CA 0.0028 0.0077 0.0071 1549 HIS 63 C 0.0056 0.0046 0.0085 1550 HIS 63 O 0.0058 0.0042 0.0096 1551 HIS 63 CB 0.0030 0.0079 0.0034 1552 HIS 63 CG 0.0033 0.0079 0.0010 1553 HIS 63 ND1 0.0017 0.0095 0.0025 1554 HIS 63 CD2 0.0056 0.0057 -0.0006 1555 HIS 63 CE1 0.0030 0.0083 0.0000 1556 HIS 63 NE2 0.0050 0.0064 -0.0015 1557 GLY 64 N 0.0142 0.0073 0.0040 1558 GLY 64 CA 0.0164 0.0010 0.0067 1559 GLY 64 C 0.0130 -0.0011 0.0131 1560 GLY 64 O 0.0122 -0.0031 0.0160 1561 LYS 65 N 0.0093 0.0004 0.0169 1562 LYS 65 CA 0.0050 0.0001 0.0229 1563 LYS 65 C 0.0011 0.0041 0.0247 1564 LYS 65 O -0.0009 0.0022 0.0291 1565 LYS 65 CB 0.0015 0.0003 0.0275 1566 LYS 65 CG 0.0000 0.0031 0.0270 1567 LYS 65 CD -0.0042 0.0022 0.0336 1568 LYS 65 CE -0.0098 0.0076 0.0364 1569 LYS 65 NZ -0.0150 0.0124 0.0392 1570 LYS 66 N 0.0002 0.0099 0.0208 1571 LYS 66 CA -0.0030 0.0135 0.0219 1572 LYS 66 C -0.0007 0.0126 0.0196 1573 LYS 66 O -0.0036 0.0132 0.0231 1574 LYS 66 CB -0.0047 0.0214 0.0173 1575 LYS 66 CG -0.0079 0.0267 0.0168 1576 LYS 66 CD -0.0095 0.0337 0.0128 1577 LYS 66 CE -0.0184 0.0370 0.0219 1578 LYS 66 NZ -0.0204 0.0456 0.0170 1579 VAL 67 N 0.0046 0.0116 0.0111 1580 VAL 67 CA 0.0053 0.0123 0.0106 1581 VAL 67 C 0.0047 0.0104 0.0116 1582 VAL 67 O 0.0031 0.0111 0.0119 1583 VAL 67 CB 0.0083 0.0131 0.0092 1584 VAL 67 CG1 0.0097 0.0128 0.0088 1585 VAL 67 CG2 0.0088 0.0151 0.0082 1586 LEU 68 N 0.0055 0.0079 0.0123 1587 LEU 68 CA 0.0048 0.0060 0.0133 1588 LEU 68 C 0.0017 0.0058 0.0145 1589 LEU 68 O 0.0007 0.0048 0.0153 1590 LEU 68 CB 0.0065 0.0035 0.0137 1591 LEU 68 CG 0.0083 0.0022 0.0136 1592 LEU 68 CD1 0.0067 0.0000 0.0150 1593 LEU 68 CD2 0.0096 0.0037 0.0125 1594 GLY 69 N 0.0001 0.0060 0.0150 1595 GLY 69 CA -0.0025 0.0059 0.0160 1596 GLY 69 C -0.0045 0.0081 0.0158 1597 GLY 69 O -0.0058 0.0078 0.0164 1598 ALA 70 N -0.0043 0.0208 0.0078 1599 ALA 70 CA -0.0047 0.0213 0.0084 1600 ALA 70 C -0.0040 0.0182 0.0087 1601 ALA 70 O -0.0047 0.0174 0.0107 1602 ALA 70 CB -0.0043 0.0237 0.0063 1603 PHE 71 N -0.0024 0.0162 0.0065 1604 PHE 71 CA -0.0017 0.0130 0.0067 1605 PHE 71 C -0.0026 0.0109 0.0099 1606 PHE 71 O -0.0030 0.0098 0.0113 1607 PHE 71 CB 0.0000 0.0115 0.0040 1608 PHE 71 CG 0.0010 0.0082 0.0039 1609 PHE 71 CD1 0.0018 0.0079 0.0023 1610 PHE 71 CD2 0.0011 0.0051 0.0053 1611 PHE 71 CE1 0.0029 0.0048 0.0018 1612 PHE 71 CE2 0.0020 0.0025 0.0049 1613 PHE 71 CZ 0.0030 0.0022 0.0031 1614 SER 72 N -0.0030 0.0109 0.0108 1615 SER 72 CA -0.0039 0.0090 0.0137 1616 SER 72 C -0.0054 0.0099 0.0162 1617 SER 72 O -0.0059 0.0079 0.0185 1618 SER 72 CB -0.0039 0.0089 0.0137 1619 SER 72 OG -0.0045 0.0071 0.0159 1620 ASP 73 N -0.0176 0.0153 0.0169 1621 ASP 73 CA -0.0192 0.0165 0.0183 1622 ASP 73 C -0.0165 0.0146 0.0156 1623 ASP 73 O -0.0152 0.0134 0.0170 1624 ASP 73 CB -0.0252 0.0213 0.0169 1625 ASP 73 CG -0.0285 0.0235 0.0224 1626 ASP 73 OD1 -0.0267 0.0217 0.0275 1627 ASP 73 OD2 -0.0319 0.0263 0.0210 1628 GLY 74 N -0.0145 0.0134 0.0095 1629 GLY 74 CA -0.0112 0.0110 0.0066 1630 GLY 74 C -0.0069 0.0075 0.0083 1631 GLY 74 O -0.0034 0.0048 0.0082 1632 LEU 75 N -0.0046 0.0053 0.0131 1633 LEU 75 CA -0.0001 0.0017 0.0156 1634 LEU 75 C -0.0005 0.0016 0.0206 1635 LEU 75 O 0.0032 -0.0015 0.0222 1636 LEU 75 CB 0.0015 0.0001 0.0194 1637 LEU 75 CG 0.0015 0.0004 0.0158 1638 LEU 75 CD1 0.0033 -0.0012 0.0184 1639 LEU 75 CD2 0.0053 -0.0022 0.0102 1640 ALA 76 N -0.0131 0.0081 0.0208 1641 ALA 76 CA -0.0103 0.0077 0.0247 1642 ALA 76 C -0.0083 0.0051 0.0243 1643 ALA 76 O -0.0060 0.0040 0.0265 1644 ALA 76 CB -0.0125 0.0127 0.0278 1645 HIS 77 N -0.0101 0.0024 0.0180 1646 HIS 77 CA -0.0090 -0.0002 0.0163 1647 HIS 77 C -0.0077 -0.0048 0.0124 1648 HIS 77 O -0.0085 -0.0067 0.0086 1649 HIS 77 CB -0.0130 0.0024 0.0135 1650 HIS 77 CG -0.0146 0.0076 0.0178 1651 HIS 77 ND1 -0.0176 0.0124 0.0194 1652 HIS 77 CD2 -0.0107 0.0066 0.0225 1653 HIS 77 CE1 -0.0167 0.0140 0.0228 1654 HIS 77 NE2 -0.0135 0.0116 0.0247 1655 LEU 78 N -0.0052 -0.0071 0.0134 1656 LEU 78 CA -0.0044 -0.0110 0.0093 1657 LEU 78 C -0.0009 -0.0157 0.0087 1658 LEU 78 O -0.0021 -0.0178 0.0042 1659 LEU 78 CB -0.0010 -0.0133 0.0116 1660 LEU 78 CG -0.0045 -0.0103 0.0101 1661 LEU 78 CD1 -0.0020 -0.0102 0.0143 1662 LEU 78 CD2 -0.0080 -0.0098 0.0052 1663 ASP 79 N -0.0080 -0.0137 0.0088 1664 ASP 79 CA -0.0077 -0.0146 0.0095 1665 ASP 79 C -0.0083 -0.0127 0.0078 1666 ASP 79 O -0.0085 -0.0122 0.0082 1667 ASP 79 CB -0.0083 -0.0137 0.0122 1668 ASP 79 CG -0.0079 -0.0152 0.0133 1669 ASP 79 OD1 -0.0082 -0.0150 0.0155 1670 ASP 79 OD2 -0.0067 -0.0180 0.0126 1671 ASN 80 N -0.0091 -0.0104 0.0072 1672 ASN 80 CA -0.0099 -0.0080 0.0065 1673 ASN 80 C -0.0101 -0.0070 0.0041 1674 ASN 80 O -0.0108 -0.0051 0.0043 1675 ASN 80 CB -0.0106 -0.0067 0.0086 1676 ASN 80 CG -0.0115 -0.0045 0.0081 1677 ASN 80 OD1 -0.0110 -0.0050 0.0055 1678 ASN 80 ND2 -0.0122 -0.0027 0.0090 1679 LEU 81 N -0.0094 -0.0083 0.0021 1680 LEU 81 CA -0.0098 -0.0065 -0.0001 1681 LEU 81 C -0.0104 -0.0047 -0.0010 1682 LEU 81 O -0.0110 -0.0030 -0.0020 1683 LEU 81 CB -0.0090 -0.0084 -0.0013 1684 LEU 81 CG -0.0083 -0.0102 -0.0008 1685 LEU 81 CD1 -0.0074 -0.0121 -0.0024 1686 LEU 81 CD2 -0.0088 -0.0090 -0.0003 1687 LYS 82 N -0.0077 -0.0042 0.0026 1688 LYS 82 CA -0.0076 -0.0033 0.0023 1689 LYS 82 C -0.0079 -0.0027 0.0027 1690 LYS 82 O -0.0078 -0.0021 0.0024 1691 LYS 82 CB -0.0077 -0.0035 0.0025 1692 LYS 82 CG -0.0073 -0.0038 0.0018 1693 LYS 82 CD -0.0074 -0.0039 0.0019 1694 LYS 82 CE -0.0074 -0.0034 0.0018 1695 LYS 82 NZ -0.0077 -0.0033 0.0023 1696 GLY 83 N -0.0083 -0.0028 0.0034 1697 GLY 83 CA -0.0085 -0.0020 0.0038 1698 GLY 83 C -0.0085 -0.0019 0.0037 1699 GLY 83 O -0.0085 -0.0012 0.0037 1700 THR 84 N -0.0084 -0.0026 0.0036 1701 THR 84 CA -0.0083 -0.0027 0.0034 1702 THR 84 C -0.0080 -0.0020 0.0028 1703 THR 84 O -0.0080 -0.0016 0.0026 1704 THR 84 CB -0.0082 -0.0035 0.0034 1705 THR 84 OG1 -0.0085 -0.0038 0.0042 1706 THR 84 CG2 -0.0082 -0.0034 0.0033 1707 PHE 85 N 0.0049 -0.0026 -0.0027 1708 PHE 85 CA 0.0050 -0.0030 -0.0015 1709 PHE 85 C 0.0066 -0.0042 0.0012 1710 PHE 85 O 0.0065 -0.0045 0.0024 1711 PHE 85 CB 0.0020 -0.0022 -0.0021 1712 PHE 85 CG 0.0012 -0.0011 -0.0050 1713 PHE 85 CD1 -0.0012 -0.0002 -0.0064 1714 PHE 85 CD2 0.0032 -0.0009 -0.0067 1715 PHE 85 CE1 -0.0016 0.0009 -0.0096 1716 PHE 85 CE2 0.0019 0.0003 -0.0097 1717 PHE 85 CZ -0.0002 0.0013 -0.0115 1718 ALA 86 N 0.0075 -0.0048 0.0026 1719 ALA 86 CA 0.0088 -0.0060 0.0058 1720 ALA 86 C 0.0112 -0.0066 0.0060 1721 ALA 86 O 0.0112 -0.0072 0.0079 1722 ALA 86 CB 0.0097 -0.0066 0.0071 1723 THR 87 N 0.0136 -0.0064 0.0041 1724 THR 87 CA 0.0158 -0.0070 0.0045 1725 THR 87 C 0.0151 -0.0065 0.0036 1726 THR 87 O 0.0159 -0.0072 0.0052 1727 THR 87 CB 0.0190 -0.0066 0.0013 1728 THR 87 OG1 0.0201 -0.0072 0.0026 1729 THR 87 CG2 0.0225 -0.0080 0.0037 1730 LEU 88 N 0.0168 -0.0046 -0.0055 1731 LEU 88 CA 0.0148 -0.0040 -0.0037 1732 LEU 88 C 0.0135 -0.0047 -0.0024 1733 LEU 88 O 0.0118 -0.0051 -0.0009 1734 LEU 88 CB 0.0148 -0.0011 -0.0036 1735 LEU 88 CG 0.0157 -0.0003 -0.0045 1736 LEU 88 CD1 0.0152 0.0023 -0.0040 1737 LEU 88 CD2 0.0141 -0.0013 -0.0030 1738 SER 89 N 0.0142 -0.0045 -0.0031 1739 SER 89 CA 0.0129 -0.0053 -0.0019 1740 SER 89 C 0.0121 -0.0080 -0.0012 1741 SER 89 O 0.0104 -0.0088 0.0004 1742 SER 89 CB 0.0143 -0.0046 -0.0032 1743 SER 89 OG 0.0130 -0.0055 -0.0019 1744 GLU 90 N 0.0137 -0.0097 -0.0026 1745 GLU 90 CA 0.0132 -0.0121 -0.0022 1746 GLU 90 C 0.0118 -0.0133 -0.0008 1747 GLU 90 O 0.0103 -0.0144 0.0006 1748 GLU 90 CB 0.0153 -0.0142 -0.0041 1749 GLU 90 CG 0.0162 -0.0136 -0.0049 1750 GLU 90 CD 0.0185 -0.0160 -0.0070 1751 GLU 90 OE1 0.0180 -0.0175 -0.0065 1752 GLU 90 OE2 0.0200 -0.0146 -0.0084 1753 LEU 91 N 0.0136 -0.0106 -0.0060 1754 LEU 91 CA 0.0119 -0.0115 -0.0036 1755 LEU 91 C 0.0100 -0.0105 -0.0005 1756 LEU 91 O 0.0083 -0.0121 0.0017 1757 LEU 91 CB 0.0128 -0.0103 -0.0047 1758 LEU 91 CG 0.0111 -0.0109 -0.0023 1759 LEU 91 CD1 0.0108 -0.0150 -0.0029 1760 LEU 91 CD2 0.0112 -0.0091 -0.0019 1761 HIS 92 N 0.0106 -0.0069 -0.0004 1762 HIS 92 CA 0.0088 -0.0058 0.0027 1763 HIS 92 C 0.0077 -0.0071 0.0041 1764 HIS 92 O 0.0059 -0.0075 0.0067 1765 HIS 92 CB 0.0094 -0.0016 0.0029 1766 HIS 92 CG 0.0095 0.0003 0.0034 1767 HIS 92 ND1 0.0114 0.0009 0.0006 1768 HIS 92 CD2 0.0084 0.0023 0.0056 1769 HIS 92 CE1 0.0108 0.0027 0.0020 1770 HIS 92 NE2 0.0092 0.0036 0.0047 1771 CYS 93 N 0.0089 -0.0081 0.0019 1772 CYS 93 CA 0.0079 -0.0099 0.0029 1773 CYS 93 C 0.0069 -0.0140 0.0034 1774 CYS 93 O 0.0053 -0.0149 0.0056 1775 CYS 93 CB 0.0096 -0.0094 0.0004 1776 CYS 93 SG 0.0088 -0.0120 0.0010 1777 ASP 94 N 0.0025 -0.0189 -0.0036 1778 ASP 94 CA 0.0017 -0.0284 -0.0021 1779 ASP 94 C -0.0002 -0.0310 0.0012 1780 ASP 94 O -0.0029 -0.0383 0.0058 1781 ASP 94 CB 0.0060 -0.0330 -0.0094 1782 ASP 94 CG 0.0092 -0.0324 -0.0149 1783 ASP 94 OD1 0.0067 -0.0302 -0.0105 1784 ASP 94 OD2 0.0122 -0.0331 -0.0201 1785 LYS 95 N 0.0000 -0.0283 0.0007 1786 LYS 95 CA -0.0025 -0.0315 0.0050 1787 LYS 95 C -0.0057 -0.0276 0.0104 1788 LYS 95 O -0.0089 -0.0299 0.0159 1789 LYS 95 CB 0.0016 -0.0326 -0.0019 1790 LYS 95 CG 0.0054 -0.0390 -0.0083 1791 LYS 95 CD 0.0027 -0.0479 -0.0036 1792 LYS 95 CE 0.0064 -0.0545 -0.0100 1793 LYS 95 NZ 0.0048 -0.0625 -0.0073 1794 LEU 96 N -0.0053 -0.0177 0.0098 1795 LEU 96 CA -0.0088 -0.0127 0.0157 1796 LEU 96 C -0.0127 -0.0098 0.0223 1797 LEU 96 O -0.0160 -0.0075 0.0280 1798 LEU 96 CB -0.0069 -0.0057 0.0125 1799 LEU 96 CG -0.0026 -0.0071 0.0051 1800 LEU 96 CD1 -0.0011 0.0019 0.0024 1801 LEU 96 CD2 -0.0055 -0.0124 0.0101 1802 HIS 97 N -0.0086 -0.0103 0.0061 1803 HIS 97 CA -0.0083 -0.0095 0.0069 1804 HIS 97 C -0.0065 -0.0061 0.0098 1805 HIS 97 O -0.0072 -0.0054 0.0122 1806 HIS 97 CB -0.0114 -0.0119 0.0081 1807 HIS 97 CG -0.0137 -0.0157 0.0055 1808 HIS 97 ND1 -0.0124 -0.0167 0.0014 1809 HIS 97 CD2 -0.0162 -0.0175 0.0070 1810 HIS 97 CE1 -0.0147 -0.0196 0.0003 1811 HIS 97 NE2 -0.0170 -0.0202 0.0035 1812 VAL 98 N -0.0038 -0.0037 0.0090 1813 VAL 98 CA -0.0022 -0.0003 0.0121 1814 VAL 98 C 0.0009 0.0015 0.0098 1815 VAL 98 O 0.0031 0.0021 0.0070 1816 VAL 98 CB -0.0007 0.0015 0.0126 1817 VAL 98 CG1 0.0011 0.0048 0.0153 1818 VAL 98 CG2 -0.0037 -0.0002 0.0151 1819 ASP 99 N 0.0010 0.0028 0.0119 1820 ASP 99 CA 0.0035 0.0043 0.0102 1821 ASP 99 C 0.0064 0.0075 0.0106 1822 ASP 99 O 0.0067 0.0094 0.0135 1823 ASP 99 CB 0.0029 0.0056 0.0135 1824 ASP 99 CG 0.0056 0.0080 0.0128 1825 ASP 99 OD1 0.0046 0.0083 0.0153 1826 ASP 99 OD2 0.0082 0.0089 0.0099 1827 PRO 100 N 0.0027 0.0034 0.0097 1828 PRO 100 CA 0.0011 0.0029 0.0087 1829 PRO 100 C -0.0010 0.0023 0.0074 1830 PRO 100 O -0.0020 0.0019 0.0060 1831 PRO 100 CB 0.0001 0.0029 0.0107 1832 PRO 100 CG 0.0015 0.0034 0.0127 1833 PRO 100 CD 0.0030 0.0037 0.0122 1834 GLU 101 N -0.0011 0.0022 0.0074 1835 GLU 101 CA -0.0027 0.0017 0.0059 1836 GLU 101 C -0.0023 0.0015 0.0033 1837 GLU 101 O -0.0035 0.0011 0.0018 1838 GLU 101 CB -0.0032 0.0017 0.0064 1839 GLU 101 CG -0.0047 0.0011 0.0049 1840 GLU 101 CD -0.0079 0.0005 0.0060 1841 GLU 101 OE1 -0.0076 0.0008 0.0079 1842 GLU 101 OE2 -0.0082 0.0002 0.0041 1843 ASN 102 N 0.0002 0.0020 0.0027 1844 ASN 102 CA 0.0008 0.0019 0.0002 1845 ASN 102 C -0.0001 0.0016 -0.0005 1846 ASN 102 O -0.0006 0.0012 -0.0027 1847 ASN 102 CB 0.0035 0.0025 0.0002 1848 ASN 102 CG 0.0046 0.0027 0.0002 1849 ASN 102 OD1 0.0045 0.0026 -0.0009 1850 ASN 102 ND2 0.0059 0.0033 0.0024 1851 PHE 103 N 0.0007 -0.0015 0.0012 1852 PHE 103 CA -0.0005 -0.0019 0.0011 1853 PHE 103 C -0.0030 -0.0031 -0.0001 1854 PHE 103 O -0.0040 -0.0038 -0.0015 1855 PHE 103 CB -0.0007 -0.0016 0.0031 1856 PHE 103 CG 0.0017 -0.0004 0.0044 1857 PHE 103 CD1 0.0037 -0.0000 0.0027 1858 PHE 103 CD2 0.0017 0.0002 0.0068 1859 PHE 103 CE1 0.0060 0.0010 0.0038 1860 PHE 103 CE2 0.0042 0.0013 0.0078 1861 PHE 103 CZ 0.0061 0.0016 0.0060 1862 ARG 104 N -0.0042 -0.0033 0.0011 1863 ARG 104 CA -0.0067 -0.0044 0.0003 1864 ARG 104 C -0.0067 -0.0049 -0.0021 1865 ARG 104 O -0.0082 -0.0059 -0.0038 1866 ARG 104 CB -0.0077 -0.0043 0.0024 1867 ARG 104 CG -0.0083 -0.0039 0.0049 1868 ARG 104 CD -0.0091 -0.0036 0.0075 1869 ARG 104 NE -0.0080 -0.0027 0.0098 1870 ARG 104 CZ -0.0106 -0.0033 0.0115 1871 ARG 104 NH1 -0.0102 -0.0032 0.0114 1872 ARG 104 NH2 -0.0126 -0.0034 0.0139 1873 LEU 105 N -0.0048 -0.0044 -0.0028 1874 LEU 105 CA -0.0044 -0.0048 -0.0053 1875 LEU 105 C -0.0038 -0.0050 -0.0073 1876 LEU 105 O -0.0049 -0.0059 -0.0092 1877 LEU 105 CB -0.0022 -0.0041 -0.0055 1878 LEU 105 CG -0.0026 -0.0039 -0.0041 1879 LEU 105 CD1 -0.0001 -0.0030 -0.0044 1880 LEU 105 CD2 -0.0046 -0.0049 -0.0052 1881 LEU 106 N -0.0011 -0.0070 0.0007 1882 LEU 106 CA -0.0009 -0.0066 0.0006 1883 LEU 106 C -0.0011 -0.0071 0.0009 1884 LEU 106 O -0.0012 -0.0070 0.0006 1885 LEU 106 CB -0.0004 -0.0060 0.0010 1886 LEU 106 CG -0.0000 -0.0054 0.0010 1887 LEU 106 CD1 -0.0002 -0.0052 0.0002 1888 LEU 106 CD2 0.0004 -0.0050 0.0015 1889 GLY 107 N -0.0012 -0.0076 0.0015 1890 GLY 107 CA -0.0013 -0.0080 0.0019 1891 GLY 107 C -0.0018 -0.0085 0.0013 1892 GLY 107 O -0.0019 -0.0086 0.0012 1893 ASN 108 N -0.0021 -0.0088 0.0008 1894 ASN 108 CA -0.0026 -0.0093 0.0003 1895 ASN 108 C -0.0025 -0.0088 -0.0005 1896 ASN 108 O -0.0028 -0.0090 -0.0008 1897 ASN 108 CB -0.0029 -0.0096 -0.0000 1898 ASN 108 CG -0.0031 -0.0104 0.0007 1899 ASN 108 OD1 -0.0030 -0.0106 0.0012 1900 ASN 108 ND2 -0.0033 -0.0104 0.0003 1901 VAL 109 N -0.0020 -0.0065 0.0022 1902 VAL 109 CA -0.0022 -0.0051 0.0013 1903 VAL 109 C -0.0010 -0.0042 0.0011 1904 VAL 109 O -0.0014 -0.0031 0.0002 1905 VAL 109 CB -0.0019 -0.0048 0.0011 1906 VAL 109 CG1 -0.0019 -0.0034 0.0002 1907 VAL 109 CG2 -0.0033 -0.0056 0.0011 1908 LEU 110 N 0.0004 -0.0045 0.0017 1909 LEU 110 CA 0.0016 -0.0037 0.0016 1910 LEU 110 C 0.0009 -0.0036 0.0013 1911 LEU 110 O 0.0011 -0.0025 0.0007 1912 LEU 110 CB 0.0030 -0.0042 0.0025 1913 LEU 110 CG 0.0044 -0.0034 0.0024 1914 LEU 110 CD1 0.0046 -0.0019 0.0016 1915 LEU 110 CD2 0.0058 -0.0038 0.0032 1916 VAL 111 N 0.0003 -0.0047 0.0018 1917 VAL 111 CA -0.0003 -0.0048 0.0017 1918 VAL 111 C -0.0014 -0.0038 0.0007 1919 VAL 111 O -0.0016 -0.0030 0.0001 1920 VAL 111 CB -0.0009 -0.0063 0.0024 1921 VAL 111 CG1 -0.0018 -0.0062 0.0020 1922 VAL 111 CG2 0.0005 -0.0068 0.0032 1923 CYS 112 N -0.0010 0.0006 0.0028 1924 CYS 112 CA -0.0016 0.0011 0.0026 1925 CYS 112 C -0.0009 0.0015 0.0017 1926 CYS 112 O -0.0014 0.0021 0.0011 1927 CYS 112 CB -0.0020 0.0009 0.0032 1928 CYS 112 SG -0.0030 0.0006 0.0043 1929 VAL 113 N -0.0000 0.0010 0.0016 1930 VAL 113 CA 0.0006 0.0014 0.0007 1931 VAL 113 C 0.0008 0.0018 -0.0000 1932 VAL 113 O 0.0007 0.0025 -0.0008 1933 VAL 113 CB 0.0017 0.0007 0.0008 1934 VAL 113 CG1 0.0024 0.0010 -0.0000 1935 VAL 113 CG2 0.0016 0.0003 0.0014 1936 LEU 114 N 0.0010 0.0017 -0.0001 1937 LEU 114 CA 0.0010 0.0023 -0.0008 1938 LEU 114 C 0.0000 0.0030 -0.0011 1939 LEU 114 O 0.0001 0.0036 -0.0020 1940 LEU 114 CB 0.0014 0.0019 -0.0005 1941 LEU 114 CG 0.0025 0.0012 -0.0004 1942 LEU 114 CD1 0.0027 0.0009 0.0000 1943 LEU 114 CD2 0.0033 0.0015 -0.0013 1944 ALA 115 N -0.0017 0.0057 0.0011 1945 ALA 115 CA -0.0027 0.0058 0.0006 1946 ALA 115 C -0.0020 0.0052 -0.0004 1947 ALA 115 O -0.0027 0.0051 -0.0013 1948 ALA 115 CB -0.0029 0.0064 0.0019 1949 HIS 116 N -0.0008 0.0049 0.0000 1950 HIS 116 CA -0.0002 0.0044 -0.0008 1951 HIS 116 C -0.0001 0.0039 -0.0021 1952 HIS 116 O -0.0003 0.0035 -0.0031 1953 HIS 116 CB 0.0011 0.0042 -0.0002 1954 HIS 116 CG 0.0018 0.0037 -0.0007 1955 HIS 116 ND1 0.0032 0.0031 -0.0012 1956 HIS 116 CD2 0.0016 0.0036 -0.0011 1957 HIS 116 CE1 0.0035 0.0028 -0.0016 1958 HIS 116 NE2 0.0025 0.0030 -0.0018 1959 HIS 117 N 0.0003 0.0036 -0.0022 1960 HIS 117 CA 0.0003 0.0032 -0.0033 1961 HIS 117 C -0.0009 0.0033 -0.0042 1962 HIS 117 O -0.0009 0.0028 -0.0054 1963 HIS 117 CB 0.0009 0.0031 -0.0032 1964 HIS 117 CG 0.0021 0.0024 -0.0037 1965 HIS 117 ND1 0.0030 0.0026 -0.0024 1966 HIS 117 CD2 0.0028 0.0017 -0.0048 1967 HIS 117 CE1 0.0046 0.0019 -0.0027 1968 HIS 117 NE2 0.0045 0.0017 -0.0034 1969 PHE 118 N -0.0025 0.0166 -0.0146 1970 PHE 118 CA -0.0024 0.0175 -0.0154 1971 PHE 118 C -0.0051 0.0188 -0.0157 1972 PHE 118 O -0.0048 0.0201 -0.0169 1973 PHE 118 CB -0.0008 0.0162 -0.0148 1974 PHE 118 CG 0.0017 0.0158 -0.0153 1975 PHE 118 CD1 0.0029 0.0138 -0.0139 1976 PHE 118 CD2 0.0037 0.0171 -0.0172 1977 PHE 118 CE1 0.0057 0.0131 -0.0143 1978 PHE 118 CE2 0.0059 0.0163 -0.0173 1979 PHE 118 CZ 0.0072 0.0148 -0.0163 1980 GLY 119 N -0.0072 0.0183 -0.0145 1981 GLY 119 CA -0.0099 0.0196 -0.0148 1982 GLY 119 C -0.0100 0.0194 -0.0146 1983 GLY 119 O -0.0091 0.0178 -0.0134 1984 LYS 120 N -0.0106 0.0211 -0.0158 1985 LYS 120 CA -0.0114 0.0211 -0.0156 1986 LYS 120 C -0.0090 0.0207 -0.0160 1987 LYS 120 O -0.0097 0.0201 -0.0152 1988 LYS 120 CB -0.0127 0.0235 -0.0173 1989 LYS 120 CG -0.0111 0.0248 -0.0190 1990 LYS 120 CD -0.0127 0.0271 -0.0205 1991 LYS 120 CE -0.0100 0.0281 -0.0223 1992 LYS 120 NZ -0.0100 0.0298 -0.0238 1993 GLU 121 N -0.0073 0.0253 -0.0167 1994 GLU 121 CA -0.0036 0.0239 -0.0161 1995 GLU 121 C -0.0029 0.0193 -0.0131 1996 GLU 121 O -0.0001 0.0176 -0.0123 1997 GLU 121 CB 0.0009 0.0258 -0.0178 1998 GLU 121 CG 0.0037 0.0262 -0.0183 1999 GLU 121 CD 0.0085 0.0277 -0.0198 2000 GLU 121 OE1 0.0131 0.0257 -0.0188 2001 GLU 121 OE2 0.0070 0.0307 -0.0215 2002 PHE 122 N -0.0056 0.0177 -0.0119 2003 PHE 122 CA -0.0051 0.0135 -0.0091 2004 PHE 122 C -0.0086 0.0122 -0.0080 2005 PHE 122 O -0.0122 0.0112 -0.0070 2006 PHE 122 CB -0.0066 0.0127 -0.0085 2007 PHE 122 CG -0.0050 0.0087 -0.0059 2008 PHE 122 CD1 -0.0007 0.0075 -0.0056 2009 PHE 122 CD2 -0.0083 0.0064 -0.0042 2010 PHE 122 CE1 0.0010 0.0039 -0.0033 2011 PHE 122 CE2 -0.0070 0.0025 -0.0017 2012 PHE 122 CZ -0.0022 0.0016 -0.0015 2013 THR 123 N -0.0071 0.0124 -0.0082 2014 THR 123 CA -0.0102 0.0116 -0.0074 2015 THR 123 C -0.0112 0.0070 -0.0043 2016 THR 123 O -0.0085 0.0054 -0.0034 2017 THR 123 CB -0.0082 0.0125 -0.0082 2018 THR 123 OG1 -0.0043 0.0111 -0.0076 2019 THR 123 CG2 -0.0077 0.0169 -0.0111 2020 PRO 124 N -0.0042 0.0032 -0.0045 2021 PRO 124 CA -0.0044 0.0016 -0.0050 2022 PRO 124 C -0.0032 0.0011 -0.0042 2023 PRO 124 O -0.0035 0.0007 -0.0045 2024 PRO 124 CB -0.0045 0.0003 -0.0054 2025 PRO 124 CG -0.0051 0.0013 -0.0056 2026 PRO 124 CD -0.0045 0.0030 -0.0047 2027 PRO 125 N -0.0020 0.0012 -0.0032 2028 PRO 125 CA -0.0008 0.0008 -0.0024 2029 PRO 125 C -0.0009 0.0020 -0.0021 2030 PRO 125 O -0.0006 0.0014 -0.0021 2031 PRO 125 CB 0.0005 0.0008 -0.0014 2032 PRO 125 CG 0.0001 0.0006 -0.0017 2033 PRO 125 CD -0.0012 0.0014 -0.0026 2034 VAL 126 N -0.0013 0.0034 -0.0021 2035 VAL 126 CA -0.0015 0.0046 -0.0020 2036 VAL 126 C -0.0027 0.0045 -0.0030 2037 VAL 126 O -0.0026 0.0045 -0.0028 2038 VAL 126 CB -0.0018 0.0064 -0.0018 2039 VAL 126 CG1 -0.0020 0.0076 -0.0016 2040 VAL 126 CG2 -0.0005 0.0068 -0.0006 2041 GLN 127 N -0.0034 0.0003 0.0006 2042 GLN 127 CA -0.0039 -0.0002 0.0007 2043 GLN 127 C -0.0037 -0.0006 -0.0001 2044 GLN 127 O -0.0041 -0.0013 -0.0004 2045 GLN 127 CB -0.0041 0.0001 0.0015 2046 GLN 127 CG -0.0046 -0.0005 0.0014 2047 GLN 127 CD -0.0046 -0.0001 0.0021 2048 GLN 127 OE1 -0.0044 0.0006 0.0026 2049 GLN 127 NE2 -0.0050 -0.0005 0.0021 2050 ALA 128 N -0.0031 -0.0002 -0.0005 2051 ALA 128 CA -0.0029 -0.0005 -0.0013 2052 ALA 128 C -0.0029 -0.0011 -0.0021 2053 ALA 128 O -0.0031 -0.0017 -0.0025 2054 ALA 128 CB -0.0021 0.0002 -0.0016 2055 ALA 129 N -0.0027 -0.0010 -0.0022 2056 ALA 129 CA -0.0027 -0.0015 -0.0028 2057 ALA 129 C -0.0035 -0.0022 -0.0025 2058 ALA 129 O -0.0037 -0.0029 -0.0032 2059 ALA 129 CB -0.0024 -0.0011 -0.0028 2060 TYR 130 N -0.0036 0.0003 -0.0008 2061 TYR 130 CA -0.0050 -0.0012 -0.0005 2062 TYR 130 C -0.0063 -0.0029 -0.0004 2063 TYR 130 O -0.0070 -0.0045 -0.0007 2064 TYR 130 CB -0.0064 0.0002 0.0010 2065 TYR 130 CG -0.0058 0.0008 0.0009 2066 TYR 130 CD1 -0.0064 -0.0002 0.0008 2067 TYR 130 CD2 -0.0047 0.0028 0.0011 2068 TYR 130 CE1 -0.0056 0.0005 0.0006 2069 TYR 130 CE2 -0.0037 0.0035 0.0007 2070 TYR 130 CZ -0.0046 0.0023 0.0008 2071 TYR 130 OH -0.0039 0.0029 0.0006 2072 GLN 131 N -0.0066 -0.0026 -0.0001 2073 GLN 131 CA -0.0074 -0.0043 -0.0003 2074 GLN 131 C -0.0064 -0.0060 -0.0017 2075 GLN 131 O -0.0075 -0.0078 -0.0018 2076 GLN 131 CB -0.0075 -0.0036 0.0001 2077 GLN 131 CG -0.0090 -0.0021 0.0017 2078 GLN 131 CD -0.0111 -0.0031 0.0027 2079 GLN 131 OE1 -0.0120 -0.0017 0.0039 2080 GLN 131 NE2 -0.0120 -0.0049 0.0024 2081 LYS 132 N -0.0046 -0.0055 -0.0027 2082 LYS 132 CA -0.0034 -0.0070 -0.0041 2083 LYS 132 C -0.0038 -0.0083 -0.0045 2084 LYS 132 O -0.0043 -0.0103 -0.0051 2085 LYS 132 CB -0.0016 -0.0063 -0.0051 2086 LYS 132 CG -0.0009 -0.0056 -0.0052 2087 LYS 132 CD 0.0011 -0.0048 -0.0061 2088 LYS 132 CE 0.0011 -0.0039 -0.0057 2089 LYS 132 NZ 0.0037 -0.0033 -0.0072 2090 VAL 133 N -0.0038 -0.0098 -0.0007 2091 VAL 133 CA -0.0042 -0.0097 -0.0006 2092 VAL 133 C -0.0044 -0.0096 -0.0008 2093 VAL 133 O -0.0047 -0.0095 -0.0010 2094 VAL 133 CB -0.0042 -0.0096 -0.0002 2095 VAL 133 CG1 -0.0045 -0.0095 -0.0001 2096 VAL 133 CG2 -0.0040 -0.0097 0.0000 2097 VAL 134 N -0.0044 -0.0096 -0.0008 2098 VAL 134 CA -0.0046 -0.0096 -0.0010 2099 VAL 134 C -0.0046 -0.0096 -0.0014 2100 VAL 134 O -0.0049 -0.0095 -0.0016 2101 VAL 134 CB -0.0047 -0.0095 -0.0010 2102 VAL 134 CG1 -0.0047 -0.0095 -0.0006 2103 VAL 134 CG2 -0.0044 -0.0097 -0.0011 2104 ALA 135 N -0.0043 -0.0097 -0.0015 2105 ALA 135 CA -0.0043 -0.0098 -0.0019 2106 ALA 135 C -0.0045 -0.0097 -0.0020 2107 ALA 135 O -0.0047 -0.0097 -0.0022 2108 ALA 135 CB -0.0040 -0.0099 -0.0020 2109 GLY 136 N -0.0065 -0.0095 -0.0024 2110 GLY 136 CA -0.0063 -0.0087 -0.0007 2111 GLY 136 C -0.0045 -0.0075 -0.0010 2112 GLY 136 O -0.0038 -0.0064 0.0004 2113 VAL 137 N -0.0036 -0.0077 -0.0029 2114 VAL 137 CA -0.0018 -0.0065 -0.0032 2115 VAL 137 C -0.0007 -0.0057 -0.0031 2116 VAL 137 O 0.0004 -0.0044 -0.0020 2117 VAL 137 CB -0.0012 -0.0070 -0.0053 2118 VAL 137 CG1 0.0006 -0.0058 -0.0056 2119 VAL 137 CG2 -0.0023 -0.0077 -0.0052 2120 ALA 138 N -0.0010 -0.0061 -0.0037 2121 ALA 138 CA 0.0000 -0.0053 -0.0036 2122 ALA 138 C 0.0000 -0.0045 -0.0015 2123 ALA 138 O 0.0011 -0.0033 -0.0007 2124 ALA 138 CB -0.0005 -0.0062 -0.0047 2125 ASN 139 N -0.0002 -0.0041 -0.0010 2126 ASN 139 CA -0.0003 -0.0037 0.0011 2127 ASN 139 C 0.0006 -0.0032 0.0020 2128 ASN 139 O 0.0015 -0.0027 0.0032 2129 ASN 139 CB -0.0022 -0.0043 0.0019 2130 ASN 139 CG -0.0026 -0.0044 0.0019 2131 ASN 139 OD1 -0.0030 -0.0047 0.0014 2132 ASN 139 ND2 -0.0051 -0.0054 0.0013 2133 ALA 140 N 0.0010 -0.0033 0.0009 2134 ALA 140 CA 0.0020 -0.0028 0.0016 2135 ALA 140 C 0.0038 -0.0022 0.0013 2136 ALA 140 O 0.0050 -0.0015 0.0025 2137 ALA 140 CB 0.0018 -0.0031 0.0005 2138 LEU 141 N 0.0045 -0.0022 -0.0000 2139 LEU 141 CA 0.0062 -0.0017 -0.0003 2140 LEU 141 C 0.0066 -0.0012 0.0011 2141 LEU 141 O 0.0081 -0.0006 0.0014 2142 LEU 141 CB 0.0067 -0.0019 -0.0022 2143 LEU 141 CG 0.0073 -0.0020 -0.0035 2144 LEU 141 CD1 0.0076 -0.0022 -0.0054 2145 LEU 141 CD2 0.0090 -0.0013 -0.0033 2146 ALA 142 N 0.0080 -0.0009 0.0001 2147 ALA 142 CA 0.0084 -0.0003 0.0021 2148 ALA 142 C 0.0080 0.0003 0.0024 2149 ALA 142 O 0.0086 0.0007 0.0043 2150 ALA 142 CB 0.0077 0.0010 0.0032 2151 HIS 143 N 0.0072 0.0003 0.0010 2152 HIS 143 CA 0.0062 0.0012 0.0010 2153 HIS 143 C 0.0076 0.0005 0.0022 2154 HIS 143 O 0.0072 0.0015 0.0032 2155 HIS 143 CB 0.0054 0.0010 -0.0008 2156 HIS 143 CG 0.0043 0.0022 -0.0007 2157 HIS 143 ND1 0.0053 0.0007 -0.0018 2158 HIS 143 CD2 0.0035 0.0035 0.0003 2159 HIS 143 CE1 0.0035 0.0027 -0.0012 2160 HIS 143 NE2 0.0029 0.0041 0.0003 2161 LYS 144 N 0.0090 -0.0009 0.0019 2162 LYS 144 CA 0.0100 -0.0015 0.0027 2163 LYS 144 C 0.0110 -0.0016 0.0043 2164 LYS 144 O 0.0123 -0.0024 0.0051 2165 LYS 144 CB 0.0107 -0.0030 0.0011 2166 LYS 144 CG 0.0094 -0.0027 -0.0007 2167 LYS 144 CD 0.0093 -0.0025 -0.0006 2168 LYS 144 CE 0.0090 -0.0025 -0.0011 2169 LYS 144 NZ 0.0102 -0.0046 -0.0029 2170 TYR 145 N 0.0096 0.0059 -0.0101 2171 TYR 145 CA 0.0106 0.0061 -0.0075 2172 TYR 145 C 0.0102 0.0071 -0.0103 2173 TYR 145 O 0.0111 0.0099 -0.0131 2174 TYR 145 CB 0.0123 0.0069 -0.0038 2175 TYR 145 CG 0.0122 0.0046 0.0001 2176 TYR 145 CD1 0.0123 0.0031 0.0034 2177 TYR 145 CD2 0.0114 0.0040 -0.0010 2178 TYR 145 CE1 0.0120 0.0009 0.0064 2179 TYR 145 CE2 0.0108 0.0010 0.0026 2180 TYR 145 CZ 0.0111 -0.0004 0.0063 2181 TYR 145 OH 0.0111 -0.0022 0.0095 2182 HIS 146 N 0.0095 0.0058 -0.0100 2183 HIS 146 CA 0.0092 0.0064 -0.0122 2184 HIS 146 C 0.0091 0.0050 -0.0098 2185 HIS 146 O 0.0088 0.0027 -0.0063 2186 HIS 146 CB 0.0071 0.0053 -0.0163 2187 HIS 146 CG 0.0041 -0.0000 -0.0149 2188 HIS 146 ND1 0.0027 -0.0008 -0.0176 2189 HIS 146 CD2 0.0036 -0.0015 -0.0137 2190 HIS 146 CE1 -0.0002 -0.0057 -0.0168 2191 HIS 146 NE2 0.0015 -0.0049 -0.0132 2192 HIS 146 OXT 0.0094 0.0061 -0.0109 2193 VAL 1 N 0.0012 -0.0035 0.0062 2194 VAL 1 CA 0.0023 -0.0041 0.0012 2195 VAL 1 C 0.0025 -0.0044 0.0001 2196 VAL 1 O 0.0027 -0.0059 0.0012 2197 VAL 1 CB 0.0025 -0.0065 0.0028 2198 VAL 1 CG1 0.0037 -0.0076 -0.0021 2199 VAL 1 CG2 0.0032 -0.0065 -0.0006 2200 LEU 2 N 0.0024 -0.0021 -0.0017 2201 LEU 2 CA 0.0023 -0.0011 -0.0025 2202 LEU 2 C 0.0033 -0.0035 -0.0054 2203 LEU 2 O 0.0036 -0.0026 -0.0075 2204 LEU 2 CB 0.0018 0.0019 -0.0036 2205 LEU 2 CG 0.0008 0.0043 -0.0009 2206 LEU 2 CD1 0.0004 0.0070 -0.0017 2207 LEU 2 CD2 0.0005 0.0036 0.0014 2208 SER 3 N 0.0037 -0.0054 -0.0049 2209 SER 3 CA 0.0045 -0.0071 -0.0074 2210 SER 3 C 0.0045 -0.0050 -0.0096 2211 SER 3 O 0.0039 -0.0025 -0.0092 2212 SER 3 CB 0.0048 -0.0095 -0.0059 2213 SER 3 OG 0.0045 -0.0086 -0.0052 2214 PRO 4 N 0.0032 -0.0086 -0.0158 2215 PRO 4 CA 0.0035 -0.0073 -0.0172 2216 PRO 4 C 0.0035 -0.0069 -0.0138 2217 PRO 4 O 0.0042 -0.0041 -0.0137 2218 PRO 4 CB 0.0030 -0.0102 -0.0207 2219 PRO 4 CG 0.0026 -0.0120 -0.0220 2220 PRO 4 CD 0.0026 -0.0116 -0.0182 2221 ALA 5 N 0.0028 -0.0097 -0.0118 2222 ALA 5 CA 0.0027 -0.0096 -0.0082 2223 ALA 5 C 0.0036 -0.0056 -0.0056 2224 ALA 5 O 0.0039 -0.0041 -0.0038 2225 ALA 5 CB 0.0019 -0.0130 -0.0056 2226 ASP 6 N 0.0035 -0.0057 -0.0046 2227 ASP 6 CA 0.0042 -0.0024 -0.0022 2228 ASP 6 C 0.0052 0.0014 -0.0039 2229 ASP 6 O 0.0057 0.0041 -0.0017 2230 ASP 6 CB 0.0043 -0.0021 -0.0019 2231 ASP 6 CG 0.0035 -0.0053 0.0008 2232 ASP 6 OD1 0.0031 -0.0065 0.0042 2233 ASP 6 OD2 0.0033 -0.0063 0.0000 2234 LYS 7 N 0.0040 0.0011 -0.0041 2235 LYS 7 CA 0.0043 0.0021 -0.0047 2236 LYS 7 C 0.0044 0.0020 -0.0042 2237 LYS 7 O 0.0049 0.0025 -0.0038 2238 LYS 7 CB 0.0038 0.0024 -0.0060 2239 LYS 7 CG 0.0038 0.0027 -0.0064 2240 LYS 7 CD 0.0036 0.0038 -0.0080 2241 LYS 7 CE 0.0032 0.0033 -0.0084 2242 LYS 7 NZ 0.0028 0.0032 -0.0093 2243 THR 8 N 0.0037 0.0006 -0.0042 2244 THR 8 CA 0.0037 0.0001 -0.0036 2245 THR 8 C 0.0043 0.0002 -0.0024 2246 THR 8 O 0.0046 0.0006 -0.0020 2247 THR 8 CB 0.0028 -0.0015 -0.0039 2248 THR 8 OG1 0.0023 -0.0012 -0.0052 2249 THR 8 CG2 0.0027 -0.0018 -0.0036 2250 ASN 9 N 0.0045 -0.0001 -0.0016 2251 ASN 9 CA 0.0052 -0.0000 -0.0002 2252 ASN 9 C 0.0059 0.0012 0.0001 2253 ASN 9 O 0.0063 0.0014 0.0009 2254 ASN 9 CB 0.0051 -0.0007 0.0005 2255 ASN 9 CG 0.0045 -0.0021 0.0009 2256 ASN 9 OD1 0.0042 -0.0026 0.0007 2257 ASN 9 ND2 0.0043 -0.0026 0.0008 2258 VAL 10 N 0.0045 0.0013 0.0009 2259 VAL 10 CA 0.0045 0.0015 0.0010 2260 VAL 10 C 0.0031 0.0006 0.0008 2261 VAL 10 O 0.0036 0.0001 0.0006 2262 VAL 10 CB 0.0043 0.0031 0.0014 2263 VAL 10 CG1 0.0042 0.0035 0.0015 2264 VAL 10 CG2 0.0056 0.0039 0.0016 2265 LYS 11 N 0.0019 0.0007 0.0008 2266 LYS 11 CA 0.0008 -0.0004 0.0006 2267 LYS 11 C 0.0010 -0.0016 0.0002 2268 LYS 11 O 0.0010 -0.0025 0.0000 2269 LYS 11 CB -0.0006 0.0002 0.0008 2270 LYS 11 CG -0.0012 0.0016 0.0012 2271 LYS 11 CD -0.0027 0.0016 0.0012 2272 LYS 11 CE -0.0033 0.0029 0.0016 2273 LYS 11 NZ -0.0036 0.0038 0.0019 2274 ALA 12 N 0.0018 -0.0021 0.0001 2275 ALA 12 CA 0.0023 -0.0034 -0.0003 2276 ALA 12 C 0.0031 -0.0041 -0.0005 2277 ALA 12 O 0.0032 -0.0051 -0.0008 2278 ALA 12 CB 0.0029 -0.0041 -0.0005 2279 ALA 13 N 0.0064 -0.0065 0.0016 2280 ALA 13 CA 0.0074 -0.0060 0.0027 2281 ALA 13 C 0.0053 -0.0046 0.0026 2282 ALA 13 O 0.0050 -0.0050 0.0020 2283 ALA 13 CB 0.0095 -0.0054 0.0046 2284 TRP 14 N 0.0039 -0.0026 0.0034 2285 TRP 14 CA 0.0021 -0.0008 0.0038 2286 TRP 14 C 0.0001 -0.0016 0.0017 2287 TRP 14 O -0.0012 -0.0015 0.0010 2288 TRP 14 CB 0.0007 0.0011 0.0046 2289 TRP 14 CG -0.0000 0.0030 0.0057 2290 TRP 14 CD1 -0.0029 0.0039 0.0046 2291 TRP 14 CD2 0.0013 0.0040 0.0075 2292 TRP 14 NE1 -0.0027 0.0057 0.0063 2293 TRP 14 CE2 -0.0008 0.0058 0.0077 2294 TRP 14 CE3 0.0035 0.0035 0.0085 2295 TRP 14 CZ2 0.0001 0.0067 0.0091 2296 TRP 14 CZ3 0.0046 0.0046 0.0102 2297 TRP 14 CH2 0.0022 0.0064 0.0102 2298 GLY 15 N -0.0007 -0.0029 0.0000 2299 GLY 15 CA -0.0020 -0.0045 -0.0022 2300 GLY 15 C -0.0013 -0.0057 -0.0029 2301 GLY 15 O -0.0033 -0.0051 -0.0036 2302 LYS 16 N 0.0021 -0.0120 -0.0034 2303 LYS 16 CA 0.0029 -0.0136 -0.0016 2304 LYS 16 C 0.0036 -0.0103 0.0006 2305 LYS 16 O 0.0040 -0.0095 0.0017 2306 LYS 16 CB 0.0035 -0.0163 -0.0000 2307 LYS 16 CG 0.0031 -0.0189 -0.0015 2308 LYS 16 CD 0.0044 -0.0179 0.0020 2309 LYS 16 CE 0.0042 -0.0192 0.0015 2310 LYS 16 NZ 0.0053 -0.0169 0.0044 2311 VAL 17 N 0.0036 -0.0082 0.0008 2312 VAL 17 CA 0.0042 -0.0056 0.0026 2313 VAL 17 C 0.0036 -0.0039 0.0012 2314 VAL 17 O 0.0039 -0.0021 0.0022 2315 VAL 17 CB 0.0047 -0.0041 0.0041 2316 VAL 17 CG1 0.0048 -0.0012 0.0045 2317 VAL 17 CG2 0.0057 -0.0066 0.0064 2318 GLY 18 N 0.0025 -0.0031 -0.0015 2319 GLY 18 CA 0.0018 -0.0011 -0.0031 2320 GLY 18 C 0.0019 0.0019 -0.0026 2321 GLY 18 O 0.0024 0.0038 -0.0011 2322 ALA 19 N 0.0105 0.0063 0.0021 2323 ALA 19 CA 0.0096 0.0076 0.0025 2324 ALA 19 C 0.0074 0.0080 0.0043 2325 ALA 19 O 0.0061 0.0089 0.0052 2326 ALA 19 CB 0.0101 0.0100 0.0015 2327 HIS 20 N 0.0062 0.0071 0.0056 2328 HIS 20 CA 0.0039 0.0071 0.0075 2329 HIS 20 C 0.0035 0.0047 0.0085 2330 HIS 20 O 0.0016 0.0045 0.0101 2331 HIS 20 CB 0.0033 0.0066 0.0081 2332 HIS 20 CG 0.0037 0.0085 0.0073 2333 HIS 20 ND1 0.0023 0.0111 0.0079 2334 HIS 20 CD2 0.0053 0.0089 0.0058 2335 HIS 20 CE1 0.0036 0.0131 0.0063 2336 HIS 20 NE2 0.0050 0.0109 0.0056 2337 ALA 21 N 0.0050 0.0030 0.0076 2338 ALA 21 CA 0.0047 0.0006 0.0084 2339 ALA 21 C 0.0031 0.0011 0.0096 2340 ALA 21 O 0.0016 -0.0001 0.0112 2341 ALA 21 CB 0.0068 -0.0004 0.0068 2342 GLY 22 N 0.0002 -0.0004 0.0030 2343 GLY 22 CA -0.0006 -0.0001 0.0035 2344 GLY 22 C -0.0019 0.0005 0.0042 2345 GLY 22 O -0.0032 -0.0002 0.0049 2346 GLU 23 N -0.0025 0.0018 0.0046 2347 GLU 23 CA -0.0038 0.0024 0.0053 2348 GLU 23 C -0.0049 0.0008 0.0058 2349 GLU 23 O -0.0063 0.0006 0.0066 2350 GLU 23 CB -0.0038 0.0039 0.0053 2351 GLU 23 CG -0.0052 0.0048 0.0061 2352 GLU 23 CD -0.0043 0.0070 0.0057 2353 GLU 23 OE1 -0.0057 0.0057 0.0064 2354 GLU 23 OE2 -0.0035 0.0064 0.0052 2355 TYR 24 N -0.0041 0.0001 0.0054 2356 TYR 24 CA -0.0047 -0.0013 0.0057 2357 TYR 24 C -0.0054 -0.0029 0.0060 2358 TYR 24 O -0.0063 -0.0038 0.0065 2359 TYR 24 CB -0.0040 -0.0019 0.0053 2360 TYR 24 CG -0.0036 -0.0006 0.0051 2361 TYR 24 CD1 -0.0027 -0.0013 0.0046 2362 TYR 24 CD2 -0.0044 0.0010 0.0056 2363 TYR 24 CE1 -0.0023 0.0002 0.0044 2364 TYR 24 CE2 -0.0041 0.0023 0.0054 2365 TYR 24 CZ -0.0032 0.0014 0.0049 2366 TYR 24 OH -0.0028 0.0028 0.0047 2367 GLY 25 N -0.0088 -0.0010 0.0064 2368 GLY 25 CA -0.0090 -0.0010 0.0071 2369 GLY 25 C -0.0093 -0.0018 0.0062 2370 GLY 25 O -0.0089 -0.0014 0.0058 2371 ALA 26 N -0.0098 -0.0029 0.0053 2372 ALA 26 CA -0.0100 -0.0035 0.0042 2373 ALA 26 C -0.0092 -0.0029 0.0031 2374 ALA 26 O -0.0090 -0.0028 0.0024 2375 ALA 26 CB -0.0108 -0.0049 0.0037 2376 GLU 27 N -0.0086 -0.0023 0.0025 2377 GLU 27 CA -0.0079 -0.0017 0.0011 2378 GLU 27 C -0.0072 -0.0006 0.0016 2379 GLU 27 O -0.0068 -0.0004 0.0007 2380 GLU 27 CB -0.0074 -0.0011 0.0009 2381 GLU 27 CG -0.0066 -0.0006 -0.0004 2382 GLU 27 CD -0.0062 -0.0002 -0.0010 2383 GLU 27 OE1 -0.0053 0.0009 -0.0013 2384 GLU 27 OE2 -0.0066 -0.0008 -0.0008 2385 ALA 28 N -0.0075 0.0008 0.0004 2386 ALA 28 CA -0.0069 0.0031 0.0004 2387 ALA 28 C -0.0064 0.0031 -0.0003 2388 ALA 28 O -0.0053 0.0042 -0.0013 2389 ALA 28 CB -0.0079 0.0041 0.0021 2390 LEU 29 N -0.0073 0.0017 0.0004 2391 LEU 29 CA -0.0068 0.0016 -0.0003 2392 LEU 29 C -0.0056 0.0011 -0.0020 2393 LEU 29 O -0.0046 0.0017 -0.0031 2394 LEU 29 CB -0.0081 0.0001 0.0008 2395 LEU 29 CG -0.0092 0.0009 0.0026 2396 LEU 29 CD1 -0.0102 -0.0007 0.0033 2397 LEU 29 CD2 -0.0088 0.0028 0.0028 2398 GLU 30 N -0.0054 -0.0006 -0.0029 2399 GLU 30 CA -0.0044 -0.0014 -0.0046 2400 GLU 30 C -0.0032 0.0003 -0.0055 2401 GLU 30 O -0.0021 0.0004 -0.0069 2402 GLU 30 CB -0.0046 -0.0034 -0.0050 2403 GLU 30 CG -0.0034 -0.0042 -0.0068 2404 GLU 30 CD -0.0036 -0.0069 -0.0076 2405 GLU 30 OE1 -0.0047 -0.0071 -0.0063 2406 GLU 30 OE2 -0.0030 -0.0071 -0.0085 2407 ARG 31 N -0.0014 0.0016 -0.0026 2408 ARG 31 CA 0.0007 0.0030 -0.0033 2409 ARG 31 C 0.0017 0.0058 -0.0028 2410 ARG 31 O 0.0038 0.0065 -0.0038 2411 ARG 31 CB -0.0001 0.0033 -0.0027 2412 ARG 31 CG -0.0001 0.0007 -0.0037 2413 ARG 31 CD -0.0009 0.0012 -0.0030 2414 ARG 31 NE -0.0011 -0.0013 -0.0039 2415 ARG 31 CZ 0.0008 -0.0022 -0.0052 2416 ARG 31 NH1 0.0031 -0.0009 -0.0060 2417 ARG 31 NH2 0.0002 -0.0045 -0.0057 2418 MET 32 N -0.0001 0.0072 -0.0014 2419 MET 32 CA 0.0004 0.0098 -0.0007 2420 MET 32 C 0.0017 0.0096 -0.0014 2421 MET 32 O 0.0036 0.0112 -0.0019 2422 MET 32 CB -0.0020 0.0108 0.0011 2423 MET 32 CG -0.0015 0.0133 0.0017 2424 MET 32 SD -0.0042 0.0146 0.0037 2425 MET 32 CE -0.0054 0.0125 0.0036 2426 PHE 33 N 0.0007 0.0077 -0.0016 2427 PHE 33 CA 0.0021 0.0075 -0.0024 2428 PHE 33 C 0.0044 0.0070 -0.0039 2429 PHE 33 O 0.0061 0.0079 -0.0045 2430 PHE 33 CB 0.0004 0.0056 -0.0022 2431 PHE 33 CG -0.0022 0.0059 -0.0006 2432 PHE 33 CD1 -0.0024 0.0083 0.0004 2433 PHE 33 CD2 -0.0040 0.0037 -0.0004 2434 PHE 33 CE1 -0.0047 0.0089 0.0018 2435 PHE 33 CE2 -0.0062 0.0047 0.0011 2436 PHE 33 CZ -0.0065 0.0070 0.0021 2437 LEU 34 N 0.0022 0.0071 -0.0063 2438 LEU 34 CA 0.0051 0.0061 -0.0073 2439 LEU 34 C 0.0072 0.0077 -0.0070 2440 LEU 34 O 0.0096 0.0083 -0.0071 2441 LEU 34 CB 0.0053 0.0033 -0.0086 2442 LEU 34 CG 0.0037 0.0014 -0.0091 2443 LEU 34 CD1 0.0037 -0.0015 -0.0104 2444 LEU 34 CD2 0.0047 0.0017 -0.0092 2445 SER 35 N 0.0062 0.0082 -0.0066 2446 SER 35 CA 0.0082 0.0097 -0.0063 2447 SER 35 C 0.0089 0.0125 -0.0052 2448 SER 35 O 0.0109 0.0137 -0.0049 2449 SER 35 CB 0.0072 0.0094 -0.0062 2450 SER 35 OG 0.0072 0.0068 -0.0074 2451 PHE 36 N 0.0067 0.0139 -0.0041 2452 PHE 36 CA 0.0066 0.0167 -0.0029 2453 PHE 36 C 0.0053 0.0172 -0.0024 2454 PHE 36 O 0.0030 0.0179 -0.0017 2455 PHE 36 CB 0.0047 0.0178 -0.0021 2456 PHE 36 CG 0.0055 0.0172 -0.0024 2457 PHE 36 CD1 0.0037 0.0153 -0.0030 2458 PHE 36 CD2 0.0083 0.0182 -0.0025 2459 PHE 36 CE1 0.0043 0.0146 -0.0034 2460 PHE 36 CE2 0.0085 0.0174 -0.0029 2461 PHE 36 CZ 0.0067 0.0156 -0.0034 2462 PRO 37 N 0.0080 0.0157 0.0004 2463 PRO 37 CA 0.0066 0.0146 0.0005 2464 PRO 37 C 0.0057 0.0150 0.0025 2465 PRO 37 O 0.0042 0.0141 0.0030 2466 PRO 37 CB 0.0071 0.0141 -0.0012 2467 PRO 37 CG 0.0087 0.0150 -0.0020 2468 PRO 37 CD 0.0091 0.0158 -0.0012 2469 THR 38 N 0.0067 0.0164 0.0035 2470 THR 38 CA 0.0058 0.0169 0.0056 2471 THR 38 C 0.0044 0.0164 0.0067 2472 THR 38 O 0.0034 0.0163 0.0080 2473 THR 38 CB 0.0077 0.0188 0.0061 2474 THR 38 OG1 0.0079 0.0194 0.0068 2475 THR 38 CG2 0.0088 0.0191 0.0050 2476 THR 39 N 0.0045 0.0163 0.0064 2477 THR 39 CA 0.0031 0.0157 0.0074 2478 THR 39 C 0.0014 0.0141 0.0071 2479 THR 39 O 0.0000 0.0138 0.0084 2480 THR 39 CB 0.0033 0.0157 0.0070 2481 THR 39 OG1 0.0035 0.0147 0.0051 2482 THR 39 CG2 0.0050 0.0173 0.0074 2483 LYS 40 N 0.0040 0.0090 0.0068 2484 LYS 40 CA 0.0032 0.0096 0.0066 2485 LYS 40 C 0.0028 0.0097 0.0072 2486 LYS 40 O 0.0023 0.0101 0.0071 2487 LYS 40 CB 0.0029 0.0098 0.0067 2488 LYS 40 CG 0.0032 0.0097 0.0060 2489 LYS 40 CD 0.0029 0.0098 0.0063 2490 LYS 40 CE 0.0030 0.0098 0.0060 2491 LYS 40 NZ 0.0026 0.0100 0.0065 2492 THR 41 N 0.0031 0.0094 0.0079 2493 THR 41 CA 0.0027 0.0096 0.0086 2494 THR 41 C 0.0027 0.0097 0.0082 2495 THR 41 O 0.0022 0.0099 0.0086 2496 THR 41 CB 0.0031 0.0092 0.0093 2497 THR 41 OG1 0.0037 0.0088 0.0091 2498 THR 41 CG2 0.0032 0.0090 0.0096 2499 TYR 42 N 0.0029 0.0096 0.0076 2500 TYR 42 CA 0.0029 0.0097 0.0073 2501 TYR 42 C 0.0023 0.0102 0.0067 2502 TYR 42 O 0.0021 0.0103 0.0064 2503 TYR 42 CB 0.0035 0.0094 0.0068 2504 TYR 42 CG 0.0040 0.0089 0.0075 2505 TYR 42 CD1 0.0040 0.0088 0.0080 2506 TYR 42 CD2 0.0045 0.0085 0.0076 2507 TYR 42 CE1 0.0044 0.0085 0.0086 2508 TYR 42 CE2 0.0049 0.0081 0.0081 2509 TYR 42 CZ 0.0049 0.0081 0.0087 2510 TYR 42 OH 0.0054 0.0077 0.0092 2511 PHE 43 N 0.0061 0.0161 0.0123 2512 PHE 43 CA 0.0048 0.0157 0.0111 2513 PHE 43 C 0.0081 0.0177 0.0141 2514 PHE 43 O 0.0090 0.0152 0.0147 2515 PHE 43 CB 0.0037 0.0095 0.0099 2516 PHE 43 CG 0.0007 0.0070 0.0072 2517 PHE 43 CD1 0.0020 0.0044 0.0081 2518 PHE 43 CD2 -0.0035 0.0066 0.0037 2519 PHE 43 CE1 -0.0012 0.0020 0.0053 2520 PHE 43 CE2 -0.0060 0.0045 0.0014 2521 PHE 43 CZ -0.0056 0.0020 0.0016 2522 PRO 44 N 0.0092 0.0231 0.0153 2523 PRO 44 CA 0.0127 0.0247 0.0183 2524 PRO 44 C 0.0102 0.0269 0.0163 2525 PRO 44 O 0.0126 0.0271 0.0184 2526 PRO 44 CB 0.0135 0.0303 0.0194 2527 PRO 44 CG 0.0098 0.0315 0.0163 2528 PRO 44 CD 0.0076 0.0265 0.0141 2529 HIS 45 N 0.0068 0.0270 0.0135 2530 HIS 45 CA 0.0043 0.0280 0.0114 2531 HIS 45 C 0.0034 0.0229 0.0104 2532 HIS 45 O 0.0011 0.0244 0.0086 2533 HIS 45 CB 0.0003 0.0305 0.0083 2534 HIS 45 CG -0.0032 0.0290 0.0052 2535 HIS 45 ND1 -0.0010 0.0270 0.0070 2536 HIS 45 CD2 -0.0068 0.0270 0.0020 2537 HIS 45 CE1 -0.0040 0.0251 0.0043 2538 HIS 45 NE2 -0.0079 0.0250 0.0010 2539 PHE 46 N -0.0028 0.0081 0.0100 2540 PHE 46 CA -0.0030 0.0066 0.0087 2541 PHE 46 C -0.0019 0.0055 0.0072 2542 PHE 46 O 0.0001 0.0059 0.0066 2543 PHE 46 CB -0.0018 0.0071 0.0086 2544 PHE 46 CG -0.0034 0.0073 0.0096 2545 PHE 46 CD1 -0.0032 0.0069 0.0092 2546 PHE 46 CD2 -0.0051 0.0081 0.0112 2547 PHE 46 CE1 -0.0046 0.0074 0.0103 2548 PHE 46 CE2 -0.0058 0.0082 0.0116 2549 PHE 46 CZ -0.0058 0.0083 0.0117 2550 ASP 47 N -0.0023 0.0035 0.0055 2551 ASP 47 CA -0.0007 0.0025 0.0038 2552 ASP 47 C 0.0007 0.0023 0.0029 2553 ASP 47 O -0.0005 0.0022 0.0034 2554 ASP 47 CB -0.0026 0.0004 0.0027 2555 ASP 47 CG -0.0008 -0.0008 0.0007 2556 ASP 47 OD1 0.0006 -0.0003 0.0005 2557 ASP 47 OD2 -0.0022 -0.0024 -0.0001 2558 LEU 48 N 0.0028 0.0034 0.0030 2559 LEU 48 CA 0.0042 0.0037 0.0025 2560 LEU 48 C 0.0053 0.0025 0.0008 2561 LEU 48 O 0.0069 0.0024 0.0000 2562 LEU 48 CB 0.0059 0.0055 0.0034 2563 LEU 48 CG 0.0055 0.0072 0.0052 2564 LEU 48 CD1 0.0070 0.0091 0.0062 2565 LEU 48 CD2 0.0037 0.0075 0.0063 2566 SER 49 N -0.0007 0.0042 -0.0106 2567 SER 49 CA -0.0003 0.0028 -0.0140 2568 SER 49 C -0.0004 0.0049 -0.0113 2569 SER 49 O -0.0012 0.0052 -0.0070 2570 SER 49 CB -0.0009 -0.0021 -0.0169 2571 SER 49 OG -0.0021 -0.0048 -0.0145 2572 HIS 50 N 0.0006 0.0064 -0.0146 2573 HIS 50 CA 0.0006 0.0081 -0.0126 2574 HIS 50 C -0.0010 0.0038 -0.0094 2575 HIS 50 O -0.0014 0.0004 -0.0118 2576 HIS 50 CB 0.0019 0.0101 -0.0167 2577 HIS 50 CG 0.0019 0.0121 -0.0141 2578 HIS 50 ND1 0.0014 0.0092 -0.0151 2579 HIS 50 CD2 0.0019 0.0148 -0.0110 2580 HIS 50 CE1 0.0013 0.0111 -0.0122 2581 HIS 50 NE2 0.0016 0.0154 -0.0089 2582 GLY 51 N -0.0016 0.0050 -0.0054 2583 GLY 51 CA -0.0028 0.0019 -0.0028 2584 GLY 51 C -0.0041 -0.0010 0.0002 2585 GLY 51 O -0.0054 -0.0037 0.0035 2586 SER 52 N -0.0038 -0.0023 0.0034 2587 SER 52 CA -0.0051 -0.0019 0.0047 2588 SER 52 C -0.0058 -0.0018 0.0049 2589 SER 52 O -0.0050 -0.0017 0.0050 2590 SER 52 CB -0.0045 -0.0013 0.0060 2591 SER 52 OG -0.0057 -0.0009 0.0071 2592 ALA 53 N -0.0073 -0.0020 0.0047 2593 ALA 53 CA -0.0081 -0.0019 0.0052 2594 ALA 53 C -0.0077 -0.0013 0.0066 2595 ALA 53 O -0.0079 -0.0013 0.0068 2596 ALA 53 CB -0.0096 -0.0023 0.0045 2597 GLN 54 N -0.0077 -0.0010 0.0074 2598 GLN 54 CA -0.0076 -0.0003 0.0091 2599 GLN 54 C -0.0058 -0.0001 0.0093 2600 GLN 54 O -0.0058 0.0002 0.0100 2601 GLN 54 CB -0.0076 0.0001 0.0101 2602 GLN 54 CG -0.0091 0.0001 0.0104 2603 GLN 54 CD -0.0093 0.0004 0.0114 2604 GLN 54 OE1 -0.0084 0.0004 0.0111 2605 GLN 54 NE2 -0.0101 0.0009 0.0126 2606 VAL 55 N -0.0027 -0.0032 0.0043 2607 VAL 55 CA -0.0043 -0.0031 0.0042 2608 VAL 55 C -0.0025 -0.0015 0.0053 2609 VAL 55 O -0.0023 -0.0018 0.0052 2610 VAL 55 CB -0.0072 -0.0021 0.0044 2611 VAL 55 CG1 -0.0083 -0.0015 0.0046 2612 VAL 55 CG2 -0.0086 -0.0038 0.0032 2613 LYS 56 N -0.0014 0.0005 0.0067 2614 LYS 56 CA 0.0001 0.0020 0.0077 2615 LYS 56 C 0.0023 0.0010 0.0074 2616 LYS 56 O 0.0033 0.0009 0.0075 2617 LYS 56 CB 0.0011 0.0040 0.0091 2618 LYS 56 CG -0.0016 0.0058 0.0098 2619 LYS 56 CD 0.0012 0.0088 0.0119 2620 LYS 56 CE -0.0030 0.0099 0.0121 2621 LYS 56 NZ -0.0006 0.0117 0.0134 2622 GLY 57 N 0.0037 -0.0008 0.0065 2623 GLY 57 CA 0.0061 -0.0021 0.0060 2624 GLY 57 C 0.0058 -0.0039 0.0050 2625 GLY 57 O 0.0075 -0.0043 0.0049 2626 HIS 58 N 0.0074 -0.0106 0.0020 2627 HIS 58 CA 0.0051 -0.0129 -0.0008 2628 HIS 58 C 0.0027 -0.0098 0.0014 2629 HIS 58 O 0.0031 -0.0113 0.0001 2630 HIS 58 CB 0.0017 -0.0149 -0.0037 2631 HIS 58 CG 0.0000 -0.0175 -0.0066 2632 HIS 58 ND1 0.0037 -0.0202 -0.0081 2633 HIS 58 CD2 -0.0041 -0.0178 -0.0081 2634 HIS 58 CE1 0.0002 -0.0217 -0.0105 2635 HIS 58 NE2 -0.0048 -0.0204 -0.0107 2636 GLY 59 N 0.0002 -0.0070 0.0034 2637 GLY 59 CA -0.0019 -0.0046 0.0050 2638 GLY 59 C 0.0011 -0.0032 0.0072 2639 GLY 59 O 0.0002 -0.0031 0.0070 2640 LYS 60 N 0.0056 -0.0027 0.0089 2641 LYS 60 CA 0.0096 -0.0023 0.0104 2642 LYS 60 C 0.0112 -0.0051 0.0083 2643 LYS 60 O 0.0119 -0.0048 0.0088 2644 LYS 60 CB 0.0136 -0.0007 0.0130 2645 LYS 60 CG 0.0168 -0.0001 0.0145 2646 LYS 60 CD 0.0207 0.0023 0.0179 2647 LYS 60 CE 0.0221 0.0038 0.0197 2648 LYS 60 NZ 0.0273 -0.0007 0.0170 2649 LYS 61 N 0.0219 -0.0132 0.0066 2650 LYS 61 CA 0.0236 -0.0169 0.0024 2651 LYS 61 C 0.0154 -0.0151 -0.0006 2652 LYS 61 O 0.0165 -0.0154 -0.0004 2653 LYS 61 CB 0.0255 -0.0225 -0.0046 2654 LYS 61 CG 0.0330 -0.0246 -0.0025 2655 LYS 61 CD 0.0363 -0.0297 -0.0079 2656 LYS 61 CE 0.0465 -0.0317 -0.0038 2657 LYS 61 NZ 0.0442 -0.0374 -0.0138 2658 VAL 62 N 0.0083 -0.0134 -0.0031 2659 VAL 62 CA 0.0010 -0.0114 -0.0050 2660 VAL 62 C -0.0014 -0.0067 0.0003 2661 VAL 62 O -0.0025 -0.0064 -0.0001 2662 VAL 62 CB -0.0058 -0.0106 -0.0085 2663 VAL 62 CG1 -0.0135 -0.0076 -0.0094 2664 VAL 62 CG2 -0.0040 -0.0160 -0.0153 2665 ALA 63 N 0.0008 -0.0033 0.0068 2666 ALA 63 CA -0.0009 0.0022 0.0137 2667 ALA 63 C 0.0032 0.0012 0.0152 2668 ALA 63 O 0.0020 0.0032 0.0173 2669 ALA 63 CB -0.0006 0.0063 0.0200 2670 ASP 64 N 0.0121 -0.0042 0.0131 2671 ASP 64 CA 0.0142 -0.0047 0.0159 2672 ASP 64 C 0.0125 -0.0046 0.0126 2673 ASP 64 O 0.0114 -0.0032 0.0148 2674 ASP 64 CB 0.0202 -0.0083 0.0174 2675 ASP 64 CG 0.0236 -0.0090 0.0223 2676 ASP 64 OD1 0.0208 -0.0065 0.0246 2677 ASP 64 OD2 0.0270 -0.0119 0.0207 2678 ALA 65 N 0.0119 -0.0061 0.0068 2679 ALA 65 CA 0.0099 -0.0058 0.0033 2680 ALA 65 C 0.0043 -0.0018 0.0042 2681 ALA 65 O 0.0026 -0.0004 0.0050 2682 ALA 65 CB 0.0090 -0.0072 -0.0028 2683 LEU 66 N 0.0012 0.0008 0.0055 2684 LEU 66 CA -0.0040 0.0046 0.0067 2685 LEU 66 C -0.0038 0.0063 0.0123 2686 LEU 66 O -0.0066 0.0086 0.0135 2687 LEU 66 CB -0.0069 0.0064 0.0060 2688 LEU 66 CG -0.0084 0.0053 -0.0007 2689 LEU 66 CD1 -0.0095 0.0061 -0.0004 2690 LEU 66 CD2 -0.0122 0.0069 -0.0037 2691 THR 67 N 0.0002 0.0047 0.0129 2692 THR 67 CA 0.0008 0.0058 0.0170 2693 THR 67 C 0.0016 0.0050 0.0163 2694 THR 67 O 0.0002 0.0066 0.0182 2695 THR 67 CB 0.0040 0.0045 0.0193 2696 THR 67 OG1 0.0029 0.0054 0.0201 2697 THR 67 CG2 0.0049 0.0053 0.0235 2698 ASN 68 N 0.0041 0.0025 0.0140 2699 ASN 68 CA 0.0044 0.0020 0.0132 2700 ASN 68 C 0.0012 0.0035 0.0112 2701 ASN 68 O 0.0007 0.0042 0.0122 2702 ASN 68 CB 0.0074 -0.0007 0.0110 2703 ASN 68 CG 0.0085 -0.0018 0.0099 2704 ASN 68 OD1 0.0084 -0.0012 0.0114 2705 ASN 68 ND2 0.0092 -0.0037 0.0057 2706 ALA 69 N -0.0007 0.0038 0.0085 2707 ALA 69 CA -0.0044 0.0055 0.0064 2708 ALA 69 C -0.0065 0.0082 0.0100 2709 ALA 69 O -0.0083 0.0090 0.0090 2710 ALA 69 CB -0.0060 0.0055 0.0031 2711 VAL 70 N -0.0038 0.0093 0.0088 2712 VAL 70 CA -0.0057 0.0128 0.0125 2713 VAL 70 C -0.0019 0.0125 0.0147 2714 VAL 70 O -0.0044 0.0138 0.0148 2715 VAL 70 CB -0.0063 0.0150 0.0151 2716 VAL 70 CG1 -0.0080 0.0180 0.0182 2717 VAL 70 CG2 -0.0099 0.0153 0.0130 2718 ALA 71 N 0.0013 0.0114 0.0154 2719 ALA 71 CA 0.0054 0.0108 0.0175 2720 ALA 71 C 0.0042 0.0099 0.0154 2721 ALA 71 O 0.0058 0.0098 0.0164 2722 ALA 71 CB 0.0091 0.0099 0.0188 2723 HIS 72 N 0.0034 0.0075 0.0114 2724 HIS 72 CA 0.0026 0.0058 0.0083 2725 HIS 72 C -0.0005 0.0057 0.0060 2726 HIS 72 O -0.0018 0.0034 0.0017 2727 HIS 72 CB 0.0066 0.0016 0.0052 2728 HIS 72 CG 0.0102 0.0012 0.0073 2729 HIS 72 ND1 0.0146 0.0002 0.0091 2730 HIS 72 CD2 0.0134 0.0017 0.0103 2731 HIS 72 CE1 0.0174 -0.0002 0.0105 2732 HIS 72 NE2 0.0180 0.0006 0.0120 2733 VAL 73 N -0.0018 0.0081 0.0061 2734 VAL 73 CA -0.0067 0.0070 0.0045 2735 VAL 73 C -0.0072 0.0033 0.0011 2736 VAL 73 O -0.0111 0.0015 -0.0010 2737 VAL 73 CB -0.0119 0.0111 0.0073 2738 VAL 73 CG1 -0.0090 0.0127 0.0091 2739 VAL 73 CG2 -0.0167 0.0095 0.0052 2740 ASP 74 N -0.0030 0.0033 0.0017 2741 ASP 74 CA -0.0033 -0.0002 -0.0013 2742 ASP 74 C -0.0013 -0.0046 -0.0049 2743 ASP 74 O -0.0009 -0.0062 -0.0063 2744 ASP 74 CB -0.0007 0.0019 0.0009 2745 ASP 74 CG -0.0022 0.0054 0.0036 2746 ASP 74 OD1 -0.0080 0.0070 0.0043 2747 ASP 74 OD2 -0.0009 0.0085 0.0066 2748 ASP 75 N 0.0012 -0.0041 -0.0042 2749 ASP 75 CA 0.0042 -0.0086 -0.0077 2750 ASP 75 C 0.0040 -0.0076 -0.0068 2751 ASP 75 O 0.0074 -0.0095 -0.0080 2752 ASP 75 CB 0.0103 -0.0082 -0.0064 2753 ASP 75 CG 0.0146 -0.0116 -0.0087 2754 ASP 75 OD1 0.0126 -0.0149 -0.0119 2755 ASP 75 OD2 0.0178 -0.0093 -0.0063 2756 MET 76 N 0.0007 -0.0027 -0.0038 2757 MET 76 CA -0.0013 -0.0030 -0.0039 2758 MET 76 C -0.0009 -0.0071 -0.0060 2759 MET 76 O 0.0005 -0.0066 -0.0058 2760 MET 76 CB -0.0076 -0.0008 -0.0028 2761 MET 76 CG -0.0075 0.0047 -0.0000 2762 MET 76 SD -0.0158 0.0060 0.0007 2763 MET 76 CE -0.0185 0.0030 -0.0008 2764 PRO 77 N -0.0018 -0.0114 -0.0082 2765 PRO 77 CA -0.0001 -0.0157 -0.0104 2766 PRO 77 C 0.0043 -0.0167 -0.0109 2767 PRO 77 O 0.0049 -0.0179 -0.0115 2768 PRO 77 CB -0.0018 -0.0202 -0.0126 2769 PRO 77 CG -0.0045 -0.0186 -0.0118 2770 PRO 77 CD -0.0023 -0.0131 -0.0090 2771 ASN 78 N 0.0093 -0.0155 -0.0103 2772 ASN 78 CA 0.0145 -0.0142 -0.0097 2773 ASN 78 C 0.0153 -0.0118 -0.0085 2774 ASN 78 O 0.0170 -0.0115 -0.0083 2775 ASN 78 CB 0.0197 -0.0159 -0.0106 2776 ASN 78 CG 0.0262 -0.0165 -0.0109 2777 ASN 78 OD1 0.0261 -0.0196 -0.0125 2778 ASN 78 ND2 0.0292 -0.0123 -0.0088 2779 ALA 79 N 0.0078 -0.0067 -0.0046 2780 ALA 79 CA 0.0046 -0.0036 -0.0073 2781 ALA 79 C -0.0010 -0.0032 -0.0059 2782 ALA 79 O -0.0042 -0.0010 -0.0076 2783 ALA 79 CB 0.0058 -0.0010 -0.0109 2784 LEU 80 N -0.0010 -0.0051 -0.0035 2785 LEU 80 CA -0.0060 -0.0050 -0.0020 2786 LEU 80 C -0.0079 -0.0081 0.0026 2787 LEU 80 O -0.0116 -0.0083 0.0041 2788 LEU 80 CB -0.0054 -0.0054 -0.0016 2789 LEU 80 CG -0.0033 -0.0027 -0.0058 2790 LEU 80 CD1 -0.0033 -0.0031 -0.0052 2791 LEU 80 CD2 -0.0068 0.0002 -0.0081 2792 SER 81 N -0.0058 -0.0096 0.0037 2793 SER 81 CA -0.0074 -0.0127 0.0081 2794 SER 81 C -0.0130 -0.0117 0.0088 2795 SER 81 O -0.0152 -0.0136 0.0119 2796 SER 81 CB -0.0044 -0.0131 0.0075 2797 SER 81 OG -0.0049 -0.0166 0.0120 2798 ALA 82 N -0.0346 -0.0158 0.0074 2799 ALA 82 CA -0.0357 -0.0171 0.0068 2800 ALA 82 C -0.0299 -0.0181 0.0033 2801 ALA 82 O -0.0279 -0.0179 0.0026 2802 ALA 82 CB -0.0425 -0.0228 0.0055 2803 LEU 83 N -0.0243 -0.0217 -0.0021 2804 LEU 83 CA -0.0188 -0.0230 -0.0057 2805 LEU 83 C -0.0123 -0.0168 -0.0037 2806 LEU 83 O -0.0082 -0.0162 -0.0052 2807 LEU 83 CB -0.0152 -0.0266 -0.0102 2808 LEU 83 CG -0.0188 -0.0341 -0.0145 2809 LEU 83 CD1 -0.0142 -0.0375 -0.0194 2810 LEU 83 CD2 -0.0195 -0.0362 -0.0159 2811 SER 84 N -0.0119 -0.0123 -0.0003 2812 SER 84 CA -0.0070 -0.0060 0.0024 2813 SER 84 C -0.0087 -0.0027 0.0058 2814 SER 84 O -0.0046 0.0003 0.0063 2815 SER 84 CB -0.0052 0.0010 0.0072 2816 SER 84 OG -0.0061 -0.0027 0.0047 2817 ASP 85 N -0.0181 -0.0004 0.0103 2818 ASP 85 CA -0.0173 0.0011 0.0101 2819 ASP 85 C -0.0138 -0.0015 0.0078 2820 ASP 85 O -0.0111 0.0006 0.0066 2821 ASP 85 CB -0.0221 0.0002 0.0126 2822 ASP 85 CG -0.0257 0.0043 0.0151 2823 ASP 85 OD1 -0.0253 0.0081 0.0154 2824 ASP 85 OD2 -0.0302 0.0020 0.0172 2825 LEU 86 N -0.0137 -0.0072 0.0070 2826 LEU 86 CA -0.0107 -0.0103 0.0049 2827 LEU 86 C -0.0052 -0.0090 0.0021 2828 LEU 86 O -0.0022 -0.0082 0.0006 2829 LEU 86 CB -0.0116 -0.0164 0.0046 2830 LEU 86 CG -0.0094 -0.0209 0.0028 2831 LEU 86 CD1 -0.0105 -0.0205 0.0034 2832 LEU 86 CD2 -0.0100 -0.0263 0.0024 2833 HIS 87 N -0.0043 -0.0079 0.0018 2834 HIS 87 CA 0.0008 -0.0072 -0.0009 2835 HIS 87 C 0.0029 -0.0002 -0.0011 2836 HIS 87 O 0.0069 0.0001 -0.0032 2837 HIS 87 CB 0.0023 -0.0074 -0.0018 2838 HIS 87 CG 0.0019 -0.0134 -0.0023 2839 HIS 87 ND1 -0.0022 -0.0165 -0.0005 2840 HIS 87 CD2 0.0057 -0.0173 -0.0049 2841 HIS 87 CE1 -0.0011 -0.0221 -0.0019 2842 HIS 87 NE2 0.0031 -0.0220 -0.0042 2843 ALA 88 N 0.0003 0.0037 0.0002 2844 ALA 88 CA 0.0008 0.0086 -0.0014 2845 ALA 88 C 0.0041 0.0099 -0.0032 2846 ALA 88 O 0.0063 0.0133 -0.0052 2847 ALA 88 CB -0.0036 0.0122 -0.0004 2848 HIS 89 N 0.0018 0.0082 -0.0017 2849 HIS 89 CA 0.0031 0.0089 -0.0025 2850 HIS 89 C 0.0068 0.0057 -0.0033 2851 HIS 89 O 0.0093 0.0077 -0.0049 2852 HIS 89 CB -0.0016 0.0106 -0.0009 2853 HIS 89 CG -0.0045 0.0150 -0.0008 2854 HIS 89 ND1 -0.0032 0.0195 -0.0027 2855 HIS 89 CD2 -0.0087 0.0143 0.0013 2856 HIS 89 CE1 -0.0069 0.0205 -0.0013 2857 HIS 89 NE2 -0.0106 0.0188 0.0009 2858 LYS 90 N 0.0080 0.0015 -0.0026 2859 LYS 90 CA 0.0104 -0.0023 -0.0026 2860 LYS 90 C 0.0150 -0.0042 -0.0042 2861 LYS 90 O 0.0192 -0.0033 -0.0063 2862 LYS 90 CB 0.0085 -0.0061 -0.0007 2863 LYS 90 CG 0.0132 -0.0094 -0.0019 2864 LYS 90 CD 0.0093 -0.0139 0.0011 2865 LYS 90 CE 0.0146 -0.0167 -0.0005 2866 LYS 90 NZ 0.0100 -0.0168 0.0016 2867 LEU 91 N 0.0126 -0.0023 -0.0007 2868 LEU 91 CA 0.0141 -0.0032 -0.0009 2869 LEU 91 C 0.0139 -0.0005 -0.0038 2870 LEU 91 O 0.0162 -0.0009 -0.0052 2871 LEU 91 CB 0.0118 -0.0046 0.0026 2872 LEU 91 CG 0.0118 -0.0067 0.0051 2873 LEU 91 CD1 0.0094 -0.0079 0.0085 2874 LEU 91 CD2 0.0157 -0.0093 0.0049 2875 ARG 92 N 0.0108 0.0020 -0.0043 2876 ARG 92 CA 0.0104 0.0047 -0.0071 2877 ARG 92 C 0.0113 0.0045 -0.0076 2878 ARG 92 O 0.0127 0.0053 -0.0096 2879 ARG 92 CB 0.0129 0.0057 -0.0102 2880 ARG 92 CG 0.0109 0.0073 -0.0105 2881 ARG 92 CD 0.0134 0.0078 -0.0131 2882 ARG 92 NE 0.0115 0.0096 -0.0136 2883 ARG 92 CZ 0.0181 0.0073 -0.0164 2884 ARG 92 NH1 0.0195 0.0034 -0.0130 2885 ARG 92 NH2 0.0156 0.0089 -0.0162 2886 VAL 93 N 0.0095 0.0031 -0.0044 2887 VAL 93 CA 0.0097 0.0027 -0.0042 2888 VAL 93 C 0.0072 0.0057 -0.0056 2889 VAL 93 O 0.0040 0.0073 -0.0048 2890 VAL 93 CB 0.0080 0.0006 -0.0003 2891 VAL 93 CG1 0.0078 0.0003 0.0002 2892 VAL 93 CG2 0.0103 -0.0022 0.0012 2893 ASP 94 N 0.0055 0.0079 -0.0018 2894 ASP 94 CA 0.0038 0.0071 -0.0023 2895 ASP 94 C 0.0032 0.0078 -0.0015 2896 ASP 94 O 0.0030 0.0093 -0.0001 2897 ASP 94 CB 0.0015 0.0067 -0.0022 2898 ASP 94 CG -0.0003 0.0053 -0.0033 2899 ASP 94 OD1 -0.0004 0.0040 -0.0045 2900 ASP 94 OD2 -0.0015 0.0058 -0.0025 2901 PRO 95 N 0.0028 0.0067 -0.0025 2902 PRO 95 CA 0.0023 0.0075 -0.0017 2903 PRO 95 C 0.0005 0.0082 -0.0006 2904 PRO 95 O 0.0007 0.0095 0.0006 2905 PRO 95 CB 0.0019 0.0059 -0.0031 2906 PRO 95 CG 0.0031 0.0049 -0.0043 2907 PRO 95 CD 0.0030 0.0050 -0.0042 2908 VAL 96 N -0.0013 0.0083 -0.0002 2909 VAL 96 CA -0.0031 0.0092 0.0011 2910 VAL 96 C -0.0023 0.0110 0.0026 2911 VAL 96 O -0.0032 0.0122 0.0040 2912 VAL 96 CB -0.0048 0.0086 0.0008 2913 VAL 96 CG1 -0.0053 0.0069 -0.0008 2914 VAL 96 CG2 -0.0045 0.0090 0.0011 2915 ASN 97 N -0.0009 0.0131 0.0010 2916 ASN 97 CA -0.0003 0.0139 0.0023 2917 ASN 97 C 0.0000 0.0145 0.0034 2918 ASN 97 O 0.0002 0.0154 0.0047 2919 ASN 97 CB 0.0011 0.0135 0.0021 2920 ASN 97 CG 0.0007 0.0130 0.0012 2921 ASN 97 OD1 -0.0001 0.0134 0.0017 2922 ASN 97 ND2 0.0011 0.0121 -0.0001 2923 PHE 98 N 0.0004 0.0142 0.0029 2924 PHE 98 CA 0.0008 0.0147 0.0038 2925 PHE 98 C -0.0007 0.0156 0.0048 2926 PHE 98 O -0.0004 0.0164 0.0060 2927 PHE 98 CB 0.0013 0.0142 0.0031 2928 PHE 98 CG 0.0030 0.0136 0.0024 2929 PHE 98 CD1 0.0045 0.0140 0.0032 2930 PHE 98 CD2 0.0031 0.0128 0.0013 2931 PHE 98 CE1 0.0061 0.0135 0.0029 2932 PHE 98 CE2 0.0049 0.0124 0.0010 2933 PHE 98 CZ 0.0064 0.0126 0.0016 2934 LYS 99 N -0.0022 0.0153 0.0041 2935 LYS 99 CA -0.0036 0.0161 0.0050 2936 LYS 99 C -0.0037 0.0169 0.0063 2937 LYS 99 O -0.0044 0.0177 0.0072 2938 LYS 99 CB -0.0053 0.0156 0.0040 2939 LYS 99 CG -0.0059 0.0154 0.0037 2940 LYS 99 CD -0.0079 0.0149 0.0027 2941 LYS 99 CE -0.0086 0.0155 0.0034 2942 LYS 99 NZ -0.0099 0.0149 0.0023 2943 LEU 100 N -0.0022 0.0195 0.0052 2944 LEU 100 CA -0.0014 0.0183 0.0046 2945 LEU 100 C -0.0025 0.0171 0.0046 2946 LEU 100 O -0.0021 0.0160 0.0042 2947 LEU 100 CB -0.0006 0.0187 0.0045 2948 LEU 100 CG 0.0002 0.0199 0.0045 2949 LEU 100 CD1 0.0010 0.0201 0.0044 2950 LEU 100 CD2 0.0012 0.0199 0.0042 2951 LEU 101 N -0.0036 0.0172 0.0050 2952 LEU 101 CA -0.0045 0.0160 0.0049 2953 LEU 101 C -0.0051 0.0156 0.0050 2954 LEU 101 O -0.0052 0.0144 0.0047 2955 LEU 101 CB -0.0058 0.0163 0.0054 2956 LEU 101 CG -0.0068 0.0152 0.0054 2957 LEU 101 CD1 -0.0062 0.0138 0.0048 2958 LEU 101 CD2 -0.0079 0.0155 0.0058 2959 SER 102 N -0.0053 0.0167 0.0053 2960 SER 102 CA -0.0059 0.0164 0.0054 2961 SER 102 C -0.0048 0.0156 0.0049 2962 SER 102 O -0.0053 0.0146 0.0048 2963 SER 102 CB -0.0060 0.0177 0.0058 2964 SER 102 OG -0.0071 0.0185 0.0064 2965 HIS 103 N -0.0030 0.0139 0.0013 2966 HIS 103 CA -0.0014 0.0127 0.0004 2967 HIS 103 C -0.0016 0.0105 -0.0002 2968 HIS 103 O -0.0015 0.0089 -0.0007 2969 HIS 103 CB 0.0007 0.0137 -0.0001 2970 HIS 103 CG 0.0025 0.0127 -0.0011 2971 HIS 103 ND1 0.0040 0.0116 -0.0020 2972 HIS 103 CD2 0.0031 0.0123 -0.0014 2973 HIS 103 CE1 0.0054 0.0109 -0.0027 2974 HIS 103 NE2 0.0051 0.0113 -0.0025 2975 CYS 104 N -0.0018 0.0098 -0.0003 2976 CYS 104 CA -0.0021 0.0075 -0.0009 2977 CYS 104 C -0.0042 0.0062 -0.0006 2978 CYS 104 O -0.0040 0.0042 -0.0012 2979 CYS 104 CB -0.0018 0.0074 -0.0011 2980 CYS 104 SG 0.0009 0.0085 -0.0017 2981 LEU 105 N -0.0058 0.0073 0.0004 2982 LEU 105 CA -0.0075 0.0061 0.0007 2983 LEU 105 C -0.0070 0.0056 0.0003 2984 LEU 105 O -0.0079 0.0037 0.0001 2985 LEU 105 CB -0.0094 0.0074 0.0018 2986 LEU 105 CG -0.0116 0.0065 0.0023 2987 LEU 105 CD1 -0.0123 0.0056 0.0023 2988 LEU 105 CD2 -0.0126 0.0095 0.0036 2989 LEU 106 N -0.0047 0.0043 0.0002 2990 LEU 106 CA -0.0039 0.0035 -0.0004 2991 LEU 106 C -0.0031 0.0022 -0.0011 2992 LEU 106 O -0.0033 0.0010 -0.0016 2993 LEU 106 CB -0.0031 0.0050 0.0001 2994 LEU 106 CG -0.0040 0.0062 0.0008 2995 LEU 106 CD1 -0.0027 0.0073 0.0010 2996 LEU 106 CD2 -0.0055 0.0056 0.0008 2997 VAL 107 N -0.0018 0.0021 -0.0014 2998 VAL 107 CA -0.0007 0.0010 -0.0021 2999 VAL 107 C -0.0018 -0.0007 -0.0026 3000 VAL 107 O -0.0018 -0.0021 -0.0032 3001 VAL 107 CB 0.0007 0.0014 -0.0023 3002 VAL 107 CG1 0.0014 -0.0001 -0.0031 3003 VAL 107 CG2 0.0019 0.0027 -0.0020 3004 THR 108 N -0.0033 -0.0005 -0.0022 3005 THR 108 CA -0.0044 -0.0020 -0.0026 3006 THR 108 C -0.0054 -0.0026 -0.0027 3007 THR 108 O -0.0057 -0.0042 -0.0033 3008 THR 108 CB -0.0057 -0.0013 -0.0020 3009 THR 108 OG1 -0.0047 -0.0005 -0.0019 3010 THR 108 CG2 -0.0070 -0.0027 -0.0023 3011 LEU 109 N -0.0051 -0.0036 -0.0015 3012 LEU 109 CA -0.0057 -0.0043 -0.0019 3013 LEU 109 C -0.0042 -0.0053 -0.0030 3014 LEU 109 O -0.0045 -0.0064 -0.0038 3015 LEU 109 CB -0.0063 -0.0028 -0.0006 3016 LEU 109 CG -0.0083 -0.0021 0.0004 3017 LEU 109 CD1 -0.0083 -0.0004 0.0018 3018 LEU 109 CD2 -0.0099 -0.0032 -0.0002 3019 ALA 110 N -0.0020 -0.0044 -0.0027 3020 ALA 110 CA -0.0001 -0.0051 -0.0037 3021 ALA 110 C -0.0004 -0.0068 -0.0049 3022 ALA 110 O 0.0003 -0.0081 -0.0062 3023 ALA 110 CB 0.0018 -0.0040 -0.0032 3024 ALA 111 N -0.0007 -0.0071 -0.0051 3025 ALA 111 CA -0.0006 -0.0086 -0.0063 3026 ALA 111 C -0.0024 -0.0100 -0.0071 3027 ALA 111 O -0.0022 -0.0113 -0.0083 3028 ALA 111 CB -0.0008 -0.0082 -0.0060 3029 HIS 112 N -0.0029 -0.0078 -0.0021 3030 HIS 112 CA -0.0039 -0.0077 -0.0038 3031 HIS 112 C -0.0027 -0.0085 -0.0049 3032 HIS 112 O -0.0034 -0.0085 -0.0066 3033 HIS 112 CB -0.0058 -0.0068 -0.0033 3034 HIS 112 CG -0.0069 -0.0063 -0.0030 3035 HIS 112 ND1 -0.0075 -0.0055 -0.0006 3036 HIS 112 CD2 -0.0083 -0.0058 -0.0039 3037 HIS 112 CE1 -0.0087 -0.0050 -0.0009 3038 HIS 112 NE2 -0.0093 -0.0052 -0.0029 3039 LEU 113 N -0.0015 -0.0089 -0.0044 3040 LEU 113 CA -0.0002 -0.0096 -0.0052 3041 LEU 113 C 0.0019 -0.0106 -0.0052 3042 LEU 113 O 0.0028 -0.0108 -0.0047 3043 LEU 113 CB -0.0002 -0.0094 -0.0041 3044 LEU 113 CG -0.0019 -0.0087 -0.0042 3045 LEU 113 CD1 -0.0010 -0.0088 -0.0027 3046 LEU 113 CD2 -0.0031 -0.0085 -0.0056 3047 PRO 114 N 0.0023 -0.0110 -0.0064 3048 PRO 114 CA 0.0042 -0.0119 -0.0067 3049 PRO 114 C 0.0056 -0.0127 -0.0077 3050 PRO 114 O 0.0066 -0.0128 -0.0062 3051 PRO 114 CB 0.0033 -0.0116 -0.0074 3052 PRO 114 CG 0.0021 -0.0115 -0.0093 3053 PRO 114 CD 0.0006 -0.0105 -0.0078 3054 ALA 115 N 0.0031 -0.0104 -0.0077 3055 ALA 115 CA 0.0029 -0.0098 -0.0071 3056 ALA 115 C 0.0027 -0.0088 -0.0060 3057 ALA 115 O 0.0031 -0.0076 -0.0055 3058 ALA 115 CB 0.0022 -0.0106 -0.0070 3059 GLU 116 N 0.0020 -0.0087 -0.0052 3060 GLU 116 CA 0.0014 -0.0077 -0.0038 3061 GLU 116 C 0.0022 -0.0066 -0.0036 3062 GLU 116 O 0.0022 -0.0055 -0.0027 3063 GLU 116 CB 0.0003 -0.0085 -0.0032 3064 GLU 116 CG -0.0004 -0.0109 -0.0044 3065 GLU 116 CD -0.0010 -0.0107 -0.0036 3066 GLU 116 OE1 -0.0009 -0.0098 -0.0030 3067 GLU 116 OE2 -0.0011 -0.0120 -0.0046 3068 PHE 117 N 0.0029 -0.0068 -0.0045 3069 PHE 117 CA 0.0038 -0.0056 -0.0046 3070 PHE 117 C 0.0049 -0.0045 -0.0049 3071 PHE 117 O 0.0058 -0.0043 -0.0058 3072 PHE 117 CB 0.0040 -0.0062 -0.0053 3073 PHE 117 CG 0.0044 -0.0056 -0.0052 3074 PHE 117 CD1 0.0035 -0.0052 -0.0039 3075 PHE 117 CD2 0.0055 -0.0049 -0.0059 3076 PHE 117 CE1 0.0039 -0.0043 -0.0037 3077 PHE 117 CE2 0.0060 -0.0039 -0.0056 3078 PHE 117 CZ 0.0051 -0.0038 -0.0045 3079 THR 118 N 0.0040 -0.0005 -0.0033 3080 THR 118 CA 0.0032 0.0007 -0.0037 3081 THR 118 C 0.0029 0.0010 -0.0049 3082 THR 118 O 0.0035 0.0001 -0.0053 3083 THR 118 CB 0.0029 0.0014 -0.0023 3084 THR 118 OG1 0.0031 0.0013 -0.0011 3085 THR 118 CG2 0.0030 0.0012 -0.0020 3086 PRO 119 N 0.0023 0.0019 -0.0053 3087 PRO 119 CA 0.0020 0.0022 -0.0064 3088 PRO 119 C 0.0023 0.0019 -0.0059 3089 PRO 119 O 0.0024 0.0015 -0.0068 3090 PRO 119 CB 0.0012 0.0034 -0.0068 3091 PRO 119 CG 0.0011 0.0036 -0.0065 3092 PRO 119 CD 0.0017 0.0028 -0.0052 3093 ALA 120 N 0.0020 0.0024 -0.0047 3094 ALA 120 CA 0.0021 0.0023 -0.0043 3095 ALA 120 C 0.0030 0.0010 -0.0040 3096 ALA 120 O 0.0032 0.0007 -0.0043 3097 ALA 120 CB 0.0018 0.0030 -0.0028 3098 VAL 121 N 0.0035 0.0004 -0.0031 3099 VAL 121 CA 0.0036 -0.0003 -0.0030 3100 VAL 121 C 0.0037 -0.0005 -0.0035 3101 VAL 121 O 0.0037 -0.0008 -0.0033 3102 VAL 121 CB 0.0036 -0.0007 -0.0027 3103 VAL 121 CG1 0.0037 -0.0014 -0.0027 3104 VAL 121 CG2 0.0035 -0.0005 -0.0021 3105 HIS 122 N 0.0038 -0.0004 -0.0041 3106 HIS 122 CA 0.0039 -0.0006 -0.0047 3107 HIS 122 C 0.0039 -0.0003 -0.0046 3108 HIS 122 O 0.0039 -0.0006 -0.0047 3109 HIS 122 CB 0.0040 -0.0004 -0.0052 3110 HIS 122 CG 0.0041 -0.0004 -0.0059 3111 HIS 122 ND1 0.0042 -0.0003 -0.0065 3112 HIS 122 CD2 0.0042 -0.0007 -0.0060 3113 HIS 122 CE1 0.0043 -0.0004 -0.0070 3114 HIS 122 NE2 0.0043 -0.0007 -0.0068 3115 ALA 123 N 0.0038 0.0003 -0.0044 3116 ALA 123 CA 0.0037 0.0007 -0.0044 3117 ALA 123 C 0.0037 0.0004 -0.0039 3118 ALA 123 O 0.0037 0.0002 -0.0040 3119 ALA 123 CB 0.0036 0.0014 -0.0043 3120 SER 124 N 0.0021 -0.0001 -0.0012 3121 SER 124 CA 0.0019 -0.0000 -0.0011 3122 SER 124 C 0.0014 0.0001 -0.0010 3123 SER 124 O 0.0012 0.0001 -0.0007 3124 SER 124 CB 0.0019 -0.0000 -0.0015 3125 SER 124 OG 0.0023 -0.0001 -0.0017 3126 LEU 125 N 0.0012 0.0001 -0.0013 3127 LEU 125 CA 0.0007 0.0002 -0.0012 3128 LEU 125 C 0.0006 0.0002 -0.0007 3129 LEU 125 O 0.0003 0.0003 -0.0004 3130 LEU 125 CB 0.0006 0.0002 -0.0016 3131 LEU 125 CG 0.0004 0.0002 -0.0020 3132 LEU 125 CD1 0.0004 0.0002 -0.0024 3133 LEU 125 CD2 -0.0000 0.0003 -0.0019 3134 ASP 126 N 0.0010 0.0002 -0.0006 3135 ASP 126 CA 0.0010 0.0002 -0.0001 3136 ASP 126 C 0.0010 0.0002 0.0002 3137 ASP 126 O 0.0008 0.0002 0.0006 3138 ASP 126 CB 0.0013 0.0001 -0.0001 3139 ASP 126 CG 0.0012 0.0001 0.0003 3140 ASP 126 OD1 0.0009 0.0002 0.0003 3141 ASP 126 OD2 0.0015 0.0001 0.0006 3142 LYS 127 N -0.0007 0.0015 0.0041 3143 LYS 127 CA -0.0005 0.0012 0.0039 3144 LYS 127 C -0.0013 0.0027 0.0030 3145 LYS 127 O -0.0015 0.0031 0.0035 3146 LYS 127 CB 0.0003 -0.0001 0.0026 3147 LYS 127 CG 0.0009 -0.0015 0.0035 3148 LYS 127 CD 0.0018 -0.0029 0.0023 3149 LYS 127 CE 0.0019 -0.0030 0.0017 3150 LYS 127 NZ 0.0027 -0.0044 0.0006 3151 PHE 128 N -0.0015 0.0033 0.0018 3152 PHE 128 CA -0.0021 0.0045 0.0010 3153 PHE 128 C -0.0030 0.0061 0.0023 3154 PHE 128 O -0.0034 0.0067 0.0022 3155 PHE 128 CB -0.0024 0.0052 -0.0006 3156 PHE 128 CG -0.0033 0.0069 -0.0014 3157 PHE 128 CD1 -0.0032 0.0070 -0.0024 3158 PHE 128 CD2 -0.0037 0.0077 -0.0009 3159 PHE 128 CE1 -0.0040 0.0085 -0.0030 3160 PHE 128 CE2 -0.0046 0.0094 -0.0016 3161 PHE 128 CZ -0.0046 0.0096 -0.0026 3162 LEU 129 N -0.0032 0.0063 0.0033 3163 LEU 129 CA -0.0040 0.0076 0.0045 3164 LEU 129 C -0.0038 0.0072 0.0059 3165 LEU 129 O -0.0044 0.0082 0.0065 3166 LEU 129 CB -0.0042 0.0079 0.0055 3167 LEU 129 CG -0.0044 0.0085 0.0043 3168 LEU 129 CD1 -0.0045 0.0086 0.0049 3169 LEU 129 CD2 -0.0052 0.0100 0.0036 3170 ALA 130 N -0.0020 0.0073 -0.0005 3171 ALA 130 CA -0.0021 0.0078 -0.0011 3172 ALA 130 C -0.0024 0.0080 -0.0012 3173 ALA 130 O -0.0022 0.0084 -0.0017 3174 ALA 130 CB -0.0026 0.0081 -0.0012 3175 SER 131 N -0.0029 0.0079 -0.0008 3176 SER 131 CA -0.0032 0.0082 -0.0009 3177 SER 131 C -0.0026 0.0078 -0.0008 3178 SER 131 O -0.0026 0.0082 -0.0013 3179 SER 131 CB -0.0039 0.0080 -0.0003 3180 SER 131 OG -0.0044 0.0083 -0.0004 3181 VAL 132 N -0.0023 0.0073 -0.0005 3182 VAL 132 CA -0.0017 0.0071 -0.0004 3183 VAL 132 C -0.0012 0.0074 -0.0011 3184 VAL 132 O -0.0009 0.0075 -0.0014 3185 VAL 132 CB -0.0014 0.0065 0.0000 3186 VAL 132 CG1 -0.0007 0.0063 -0.0001 3187 VAL 132 CG2 -0.0019 0.0062 0.0007 3188 SER 133 N 0.0028 0.0048 -0.0053 3189 SER 133 CA 0.0035 0.0049 -0.0074 3190 SER 133 C 0.0031 0.0060 -0.0075 3191 SER 133 O 0.0038 0.0049 -0.0086 3192 SER 133 CB 0.0037 0.0059 -0.0093 3193 SER 133 OG 0.0042 0.0043 -0.0092 3194 THR 134 N 0.0022 0.0076 -0.0069 3195 THR 134 CA 0.0018 0.0088 -0.0069 3196 THR 134 C 0.0018 0.0077 -0.0055 3197 THR 134 O 0.0022 0.0074 -0.0064 3198 THR 134 CB 0.0006 0.0110 -0.0060 3199 THR 134 OG1 0.0006 0.0122 -0.0075 3200 THR 134 CG2 0.0000 0.0123 -0.0058 3201 VAL 135 N 0.0016 0.0067 -0.0038 3202 VAL 135 CA 0.0016 0.0055 -0.0024 3203 VAL 135 C 0.0028 0.0037 -0.0039 3204 VAL 135 O 0.0029 0.0032 -0.0036 3205 VAL 135 CB 0.0012 0.0047 -0.0000 3206 VAL 135 CG1 0.0014 0.0031 0.0013 3207 VAL 135 CG2 0.0001 0.0065 0.0011 3208 LEU 136 N 0.0020 0.0040 -0.0043 3209 LEU 136 CA 0.0014 0.0023 -0.0049 3210 LEU 136 C 0.0025 0.0042 -0.0046 3211 LEU 136 O 0.0017 0.0032 -0.0045 3212 LEU 136 CB 0.0022 0.0004 -0.0072 3213 LEU 136 CG 0.0007 -0.0018 -0.0073 3214 LEU 136 CD1 0.0015 -0.0040 -0.0098 3215 LEU 136 CD2 -0.0018 -0.0030 -0.0058 3216 THR 137 N 0.0043 0.0066 -0.0046 3217 THR 137 CA 0.0056 0.0081 -0.0048 3218 THR 137 C 0.0048 0.0108 -0.0020 3219 THR 137 O 0.0057 0.0121 -0.0019 3220 THR 137 CB 0.0084 0.0092 -0.0068 3221 THR 137 OG1 0.0090 0.0106 -0.0063 3222 THR 137 CG2 0.0088 0.0067 -0.0090 3223 SER 138 N 0.0035 0.0110 -0.0005 3224 SER 138 CA 0.0029 0.0132 0.0018 3225 SER 138 C 0.0018 0.0137 0.0033 3226 SER 138 O 0.0018 0.0159 0.0049 3227 SER 138 CB -0.0002 0.0114 0.0035 3228 SER 138 OG 0.0017 0.0134 0.0031 3229 LYS 139 N 0.0005 0.0088 0.0031 3230 LYS 139 CA 0.0003 0.0086 0.0036 3231 LYS 139 C 0.0009 0.0083 0.0023 3232 LYS 139 O 0.0009 0.0078 0.0023 3233 LYS 139 CB -0.0001 0.0072 0.0043 3234 LYS 139 CG -0.0008 0.0079 0.0057 3235 LYS 139 CD -0.0012 0.0067 0.0062 3236 LYS 139 CE -0.0020 0.0073 0.0080 3237 LYS 139 NZ -0.0020 0.0055 0.0078 3238 TYR 140 N 0.0015 0.0086 0.0012 3239 TYR 140 CA 0.0021 0.0083 0.0001 3240 TYR 140 C 0.0022 0.0091 -0.0001 3241 TYR 140 O 0.0025 0.0084 -0.0008 3242 TYR 140 CB 0.0027 0.0086 -0.0011 3243 TYR 140 CG 0.0029 0.0074 -0.0016 3244 TYR 140 CD1 0.0034 0.0070 -0.0027 3245 TYR 140 CD2 0.0024 0.0065 -0.0008 3246 TYR 140 CE1 0.0036 0.0059 -0.0031 3247 TYR 140 CE2 0.0026 0.0054 -0.0012 3248 TYR 140 CZ 0.0031 0.0051 -0.0023 3249 TYR 140 OH 0.0034 0.0040 -0.0029 3250 ARG 141 N 0.0020 0.0104 0.0005 3251 ARG 141 CA 0.0021 0.0112 0.0003 3252 ARG 141 C 0.0015 0.0123 0.0016 3253 ARG 141 O 0.0013 0.0124 0.0020 3254 ARG 141 CB 0.0028 0.0118 -0.0010 3255 ARG 141 CG 0.0030 0.0130 -0.0012 3256 ARG 141 CD 0.0037 0.0134 -0.0026 3257 ARG 141 NE 0.0039 0.0145 -0.0029 3258 ARG 141 CZ 0.0044 0.0155 -0.0037 3259 ARG 141 NH1 0.0048 0.0155 -0.0045 3260 ARG 141 NH2 0.0045 0.0162 -0.0038 3261 ARG 141 OXT 0.0016 0.0129 0.0015 3262 VAL 1 N -0.0069 0.0050 -0.0063 3263 VAL 1 CA -0.0063 0.0035 -0.0053 3264 VAL 1 C -0.0074 0.0028 -0.0063 3265 VAL 1 O -0.0077 0.0042 -0.0070 3266 VAL 1 CB -0.0051 0.0040 -0.0041 3267 VAL 1 CG1 -0.0040 0.0043 -0.0030 3268 VAL 1 CG2 -0.0050 0.0054 -0.0043 3269 HIS 2 N -0.0068 0.0019 -0.0053 3270 HIS 2 CA -0.0071 0.0013 -0.0055 3271 HIS 2 C -0.0067 0.0018 -0.0052 3272 HIS 2 O -0.0060 0.0005 -0.0040 3273 HIS 2 CB -0.0085 -0.0008 -0.0065 3274 HIS 2 CG -0.0091 -0.0009 -0.0070 3275 HIS 2 ND1 -0.0080 -0.0026 -0.0054 3276 HIS 2 CD2 -0.0101 -0.0007 -0.0082 3277 HIS 2 CE1 -0.0084 -0.0027 -0.0058 3278 HIS 2 NE2 -0.0095 -0.0014 -0.0073 3279 LEU 3 N -0.0073 0.0028 -0.0061 3280 LEU 3 CA -0.0065 0.0034 -0.0054 3281 LEU 3 C -0.0073 0.0020 -0.0059 3282 LEU 3 O -0.0083 0.0032 -0.0073 3283 LEU 3 CB -0.0060 0.0052 -0.0054 3284 LEU 3 CG -0.0050 0.0055 -0.0044 3285 LEU 3 CD1 -0.0045 0.0072 -0.0042 3286 LEU 3 CD2 -0.0040 0.0051 -0.0032 3287 THR 4 N -0.0071 0.0004 -0.0060 3288 THR 4 CA -0.0067 -0.0008 -0.0061 3289 THR 4 C -0.0063 -0.0018 -0.0061 3290 THR 4 O -0.0072 -0.0011 -0.0056 3291 THR 4 CB -0.0071 -0.0019 -0.0053 3292 THR 4 OG1 -0.0079 -0.0023 -0.0045 3293 THR 4 CG2 -0.0072 -0.0014 -0.0054 3294 PRO 5 N -0.0057 -0.0024 -0.0065 3295 PRO 5 CA -0.0060 -0.0028 -0.0062 3296 PRO 5 C -0.0067 -0.0037 -0.0052 3297 PRO 5 O -0.0071 -0.0038 -0.0047 3298 PRO 5 CB -0.0048 -0.0047 -0.0068 3299 PRO 5 CG -0.0044 -0.0044 -0.0073 3300 PRO 5 CD -0.0046 -0.0030 -0.0074 3301 GLU 6 N -0.0072 -0.0041 -0.0046 3302 GLU 6 CA -0.0078 -0.0050 -0.0038 3303 GLU 6 C -0.0093 -0.0033 -0.0028 3304 GLU 6 O -0.0096 -0.0038 -0.0024 3305 GLU 6 CB -0.0084 -0.0056 -0.0030 3306 GLU 6 CG -0.0081 -0.0056 -0.0033 3307 GLU 6 CD -0.0067 -0.0063 -0.0044 3308 GLU 6 OE1 -0.0062 -0.0058 -0.0050 3309 GLU 6 OE2 -0.0066 -0.0039 -0.0053 3310 GLU 7 N -0.0048 0.0007 -0.0031 3311 GLU 7 CA -0.0053 -0.0006 -0.0043 3312 GLU 7 C -0.0057 -0.0023 -0.0031 3313 GLU 7 O -0.0061 -0.0032 -0.0040 3314 GLU 7 CB -0.0054 -0.0007 -0.0046 3315 GLU 7 CG -0.0050 0.0010 -0.0061 3316 GLU 7 CD -0.0049 0.0012 -0.0060 3317 GLU 7 OE1 -0.0050 0.0014 -0.0078 3318 GLU 7 OE2 -0.0050 0.0005 -0.0053 3319 LYS 8 N -0.0056 -0.0023 -0.0017 3320 LYS 8 CA -0.0061 -0.0040 -0.0008 3321 LYS 8 C -0.0062 -0.0044 -0.0004 3322 LYS 8 O -0.0065 -0.0055 -0.0009 3323 LYS 8 CB -0.0057 -0.0033 0.0012 3324 LYS 8 CG -0.0063 -0.0054 0.0016 3325 LYS 8 CD -0.0063 -0.0055 0.0028 3326 LYS 8 CE -0.0068 -0.0075 0.0040 3327 LYS 8 NZ -0.0068 -0.0080 0.0058 3328 SER 9 N -0.0058 -0.0032 -0.0003 3329 SER 9 CA -0.0059 -0.0036 -0.0004 3330 SER 9 C -0.0062 -0.0039 -0.0020 3331 SER 9 O -0.0064 -0.0048 -0.0018 3332 SER 9 CB -0.0055 -0.0024 0.0007 3333 SER 9 OG -0.0052 -0.0015 0.0004 3334 ALA 10 N -0.0016 -0.0019 -0.0001 3335 ALA 10 CA -0.0030 -0.0026 -0.0019 3336 ALA 10 C -0.0031 -0.0042 -0.0022 3337 ALA 10 O -0.0038 -0.0056 -0.0031 3338 ALA 10 CB -0.0036 -0.0011 -0.0026 3339 VAL 11 N -0.0024 -0.0039 -0.0013 3340 VAL 11 CA -0.0026 -0.0052 -0.0016 3341 VAL 11 C -0.0021 -0.0073 -0.0011 3342 VAL 11 O -0.0027 -0.0086 -0.0020 3343 VAL 11 CB -0.0018 -0.0042 -0.0005 3344 VAL 11 CG1 -0.0017 -0.0055 -0.0005 3345 VAL 11 CG2 -0.0027 -0.0023 -0.0015 3346 THR 12 N -0.0009 -0.0071 0.0004 3347 THR 12 CA -0.0002 -0.0093 0.0011 3348 THR 12 C -0.0008 -0.0103 0.0003 3349 THR 12 O -0.0012 -0.0123 -0.0003 3350 THR 12 CB 0.0013 -0.0085 0.0031 3351 THR 12 OG1 0.0018 -0.0081 0.0037 3352 THR 12 CG2 0.0015 -0.0104 0.0033 3353 ALA 13 N -0.0022 -0.0157 -0.0013 3354 ALA 13 CA -0.0030 -0.0171 -0.0011 3355 ALA 13 C -0.0041 -0.0168 -0.0002 3356 ALA 13 O -0.0043 -0.0171 -0.0002 3357 ALA 13 CB -0.0034 -0.0182 -0.0010 3358 LEU 14 N -0.0049 -0.0156 0.0005 3359 LEU 14 CA -0.0059 -0.0152 0.0012 3360 LEU 14 C -0.0054 -0.0141 0.0012 3361 LEU 14 O -0.0061 -0.0143 0.0016 3362 LEU 14 CB -0.0070 -0.0144 0.0021 3363 LEU 14 CG -0.0082 -0.0140 0.0030 3364 LEU 14 CD1 -0.0091 -0.0157 0.0033 3365 LEU 14 CD2 -0.0089 -0.0130 0.0036 3366 TRP 15 N -0.0044 -0.0132 0.0006 3367 TRP 15 CA -0.0041 -0.0119 0.0006 3368 TRP 15 C -0.0034 -0.0128 0.0000 3369 TRP 15 O -0.0035 -0.0123 0.0002 3370 TRP 15 CB -0.0030 -0.0108 0.0001 3371 TRP 15 CG -0.0028 -0.0093 0.0003 3372 TRP 15 CD1 -0.0018 -0.0089 -0.0003 3373 TRP 15 CD2 -0.0038 -0.0081 0.0012 3374 TRP 15 NE1 -0.0019 -0.0075 0.0000 3375 TRP 15 CE2 -0.0032 -0.0068 0.0010 3376 TRP 15 CE3 -0.0049 -0.0079 0.0020 3377 TRP 15 CZ2 -0.0039 -0.0056 0.0017 3378 TRP 15 CZ3 -0.0055 -0.0064 0.0026 3379 TRP 15 CH2 -0.0048 -0.0054 0.0024 3380 GLY 16 N 0.0003 -0.0200 -0.0074 3381 GLY 16 CA 0.0011 -0.0210 -0.0084 3382 GLY 16 C -0.0007 -0.0216 -0.0069 3383 GLY 16 O -0.0001 -0.0219 -0.0075 3384 LYS 17 N -0.0030 -0.0222 -0.0049 3385 LYS 17 CA -0.0049 -0.0231 -0.0034 3386 LYS 17 C -0.0059 -0.0209 -0.0019 3387 LYS 17 O -0.0075 -0.0197 -0.0001 3388 LYS 17 CB -0.0071 -0.0253 -0.0019 3389 LYS 17 CG -0.0062 -0.0277 -0.0033 3390 LYS 17 CD -0.0083 -0.0292 -0.0018 3391 LYS 17 CE -0.0092 -0.0311 -0.0015 3392 LYS 17 NZ -0.0117 -0.0332 0.0003 3393 VAL 18 N -0.0050 -0.0176 -0.0019 3394 VAL 18 CA -0.0060 -0.0143 -0.0002 3395 VAL 18 C -0.0049 -0.0132 -0.0010 3396 VAL 18 O -0.0029 -0.0133 -0.0029 3397 VAL 18 CB -0.0055 -0.0124 -0.0002 3398 VAL 18 CG1 -0.0057 -0.0095 0.0007 3399 VAL 18 CG2 -0.0069 -0.0135 0.0008 3400 ASN 19 N -0.0068 0.0099 0.0108 3401 ASN 19 CA -0.0059 0.0117 0.0108 3402 ASN 19 C -0.0060 0.0109 0.0111 3403 ASN 19 O -0.0040 0.0100 0.0132 3404 ASN 19 CB -0.0041 0.0139 0.0116 3405 ASN 19 CG -0.0043 0.0168 0.0103 3406 ASN 19 OD1 -0.0031 0.0166 0.0114 3407 ASN 19 ND2 -0.0017 0.0188 0.0118 3408 VAL 20 N -0.0070 0.0107 0.0102 3409 VAL 20 CA -0.0067 0.0092 0.0111 3410 VAL 20 C -0.0050 0.0095 0.0125 3411 VAL 20 O -0.0037 0.0087 0.0141 3412 VAL 20 CB -0.0098 0.0080 0.0089 3413 VAL 20 CG1 -0.0106 0.0072 0.0084 3414 VAL 20 CG2 -0.0084 0.0086 0.0098 3415 ASP 21 N -0.0043 0.0124 0.0120 3416 ASP 21 CA -0.0018 0.0136 0.0138 3417 ASP 21 C -0.0003 0.0135 0.0151 3418 ASP 21 O 0.0011 0.0121 0.0169 3419 ASP 21 CB -0.0015 0.0167 0.0128 3420 ASP 21 CG -0.0037 0.0178 0.0104 3421 ASP 21 OD1 -0.0053 0.0163 0.0095 3422 ASP 21 OD2 -0.0030 0.0200 0.0101 3423 GLU 22 N -0.0011 0.0145 0.0075 3424 GLU 22 CA 0.0007 0.0140 0.0092 3425 GLU 22 C 0.0011 0.0108 0.0092 3426 GLU 22 O 0.0026 0.0101 0.0106 3427 GLU 22 CB 0.0011 0.0149 0.0097 3428 GLU 22 CG 0.0017 0.0138 0.0101 3429 GLU 22 CD 0.0039 0.0144 0.0124 3430 GLU 22 OE1 0.0033 0.0139 0.0117 3431 GLU 22 OE2 0.0041 0.0165 0.0128 3432 VAL 23 N 0.0004 0.0095 0.0084 3433 VAL 23 CA 0.0007 0.0067 0.0083 3434 VAL 23 C 0.0003 0.0060 0.0079 3435 VAL 23 O 0.0013 0.0044 0.0087 3436 VAL 23 CB -0.0005 0.0053 0.0070 3437 VAL 23 CG1 -0.0005 0.0030 0.0068 3438 VAL 23 CG2 0.0004 0.0060 0.0080 3439 GLY 24 N -0.0010 0.0068 0.0067 3440 GLY 24 CA -0.0015 0.0064 0.0062 3441 GLY 24 C -0.0001 0.0069 0.0076 3442 GLY 24 O 0.0007 0.0055 0.0082 3443 GLY 25 N -0.0002 0.0047 0.0023 3444 GLY 25 CA -0.0008 0.0040 0.0010 3445 GLY 25 C 0.0003 0.0047 -0.0002 3446 GLY 25 O 0.0000 0.0041 -0.0019 3447 GLU 26 N 0.0015 0.0058 0.0003 3448 GLU 26 CA 0.0026 0.0065 -0.0009 3449 GLU 26 C 0.0031 0.0067 -0.0025 3450 GLU 26 O 0.0034 0.0066 -0.0040 3451 GLU 26 CB 0.0039 0.0078 -0.0001 3452 GLU 26 CG 0.0038 0.0076 -0.0007 3453 GLU 26 CD 0.0050 0.0085 -0.0015 3454 GLU 26 OE1 0.0054 0.0086 -0.0027 3455 GLU 26 OE2 0.0058 0.0094 0.0001 3456 ALA 27 N 0.0033 0.0070 -0.0016 3457 ALA 27 CA 0.0038 0.0073 -0.0028 3458 ALA 27 C 0.0029 0.0062 -0.0041 3459 ALA 27 O 0.0033 0.0062 -0.0058 3460 ALA 27 CB 0.0043 0.0078 -0.0017 3461 LEU 28 N 0.0044 0.0037 -0.0039 3462 LEU 28 CA 0.0031 0.0040 -0.0051 3463 LEU 28 C 0.0016 0.0040 -0.0060 3464 LEU 28 O 0.0008 0.0048 -0.0075 3465 LEU 28 CB 0.0024 0.0031 -0.0043 3466 LEU 28 CG 0.0013 0.0036 -0.0057 3467 LEU 28 CD1 0.0024 0.0050 -0.0067 3468 LEU 28 CD2 0.0006 0.0026 -0.0048 3469 GLY 29 N 0.0006 0.0028 -0.0051 3470 GLY 29 CA -0.0008 0.0027 -0.0058 3471 GLY 29 C -0.0004 0.0039 -0.0072 3472 GLY 29 O -0.0017 0.0043 -0.0085 3473 ARG 30 N 0.0012 0.0043 -0.0066 3474 ARG 30 CA 0.0016 0.0054 -0.0078 3475 ARG 30 C 0.0020 0.0067 -0.0092 3476 ARG 30 O 0.0014 0.0075 -0.0106 3477 ARG 30 CB 0.0033 0.0054 -0.0067 3478 ARG 30 CG 0.0030 0.0045 -0.0058 3479 ARG 30 CD 0.0045 0.0046 -0.0049 3480 ARG 30 NE 0.0043 0.0038 -0.0040 3481 ARG 30 CZ 0.0040 0.0037 -0.0041 3482 ARG 30 NH1 0.0038 0.0029 -0.0031 3483 ARG 30 NH2 0.0045 0.0050 -0.0054 3484 LEU 31 N 0.0021 0.0020 -0.0090 3485 LEU 31 CA 0.0020 0.0020 -0.0096 3486 LEU 31 C 0.0016 0.0019 -0.0100 3487 LEU 31 O 0.0017 0.0020 -0.0105 3488 LEU 31 CB 0.0019 0.0020 -0.0095 3489 LEU 31 CG 0.0019 0.0020 -0.0100 3490 LEU 31 CD1 0.0024 0.0022 -0.0103 3491 LEU 31 CD2 0.0016 0.0019 -0.0100 3492 LEU 32 N 0.0011 0.0018 -0.0097 3493 LEU 32 CA 0.0006 0.0017 -0.0100 3494 LEU 32 C 0.0007 0.0017 -0.0102 3495 LEU 32 O 0.0004 0.0017 -0.0107 3496 LEU 32 CB 0.0001 0.0015 -0.0097 3497 LEU 32 CG -0.0000 0.0014 -0.0097 3498 LEU 32 CD1 -0.0006 0.0013 -0.0092 3499 LEU 32 CD2 -0.0001 0.0015 -0.0101 3500 VAL 33 N 0.0010 0.0018 -0.0099 3501 VAL 33 CA 0.0012 0.0018 -0.0100 3502 VAL 33 C 0.0016 0.0020 -0.0105 3503 VAL 33 O 0.0015 0.0020 -0.0109 3504 VAL 33 CB 0.0013 0.0018 -0.0094 3505 VAL 33 CG1 0.0015 0.0019 -0.0096 3506 VAL 33 CG2 0.0008 0.0016 -0.0091 3507 VAL 34 N 0.0039 0.0017 -0.0107 3508 VAL 34 CA 0.0042 0.0014 -0.0108 3509 VAL 34 C 0.0041 -0.0004 -0.0106 3510 VAL 34 O 0.0047 -0.0010 -0.0108 3511 VAL 34 CB 0.0033 0.0026 -0.0106 3512 VAL 34 CG1 0.0034 0.0022 -0.0106 3513 VAL 34 CG2 0.0038 0.0043 -0.0109 3514 TYR 35 N 0.0029 -0.0011 -0.0101 3515 TYR 35 CA 0.0024 -0.0029 -0.0098 3516 TYR 35 C 0.0025 -0.0037 -0.0098 3517 TYR 35 O 0.0012 -0.0041 -0.0093 3518 TYR 35 CB 0.0008 -0.0029 -0.0092 3519 TYR 35 CG 0.0005 -0.0019 -0.0092 3520 TYR 35 CD1 0.0012 -0.0023 -0.0094 3521 TYR 35 CD2 -0.0003 -0.0006 -0.0090 3522 TYR 35 CE1 0.0011 -0.0015 -0.0094 3523 TYR 35 CE2 -0.0004 0.0003 -0.0090 3524 TYR 35 CZ 0.0002 -0.0002 -0.0092 3525 TYR 35 OH 0.0001 0.0010 -0.0092 3526 PRO 36 N 0.0039 -0.0042 -0.0103 3527 PRO 36 CA 0.0040 -0.0048 -0.0103 3528 PRO 36 C 0.0033 -0.0064 -0.0099 3529 PRO 36 O 0.0030 -0.0067 -0.0098 3530 PRO 36 CB 0.0058 -0.0047 -0.0110 3531 PRO 36 CG 0.0064 -0.0047 -0.0112 3532 PRO 36 CD 0.0053 -0.0040 -0.0108 3533 TRP 37 N 0.0033 -0.0076 -0.0091 3534 TRP 37 CA 0.0033 -0.0078 -0.0089 3535 TRP 37 C 0.0027 -0.0076 -0.0093 3536 TRP 37 O 0.0027 -0.0077 -0.0093 3537 TRP 37 CB 0.0029 -0.0086 -0.0085 3538 TRP 37 CG 0.0022 -0.0089 -0.0087 3539 TRP 37 CD1 0.0015 -0.0090 -0.0089 3540 TRP 37 CD2 0.0022 -0.0090 -0.0086 3541 TRP 37 NE1 0.0011 -0.0093 -0.0090 3542 TRP 37 CE2 0.0015 -0.0092 -0.0088 3543 TRP 37 CE3 0.0028 -0.0089 -0.0084 3544 TRP 37 CZ2 0.0012 -0.0094 -0.0088 3545 TRP 37 CZ3 0.0026 -0.0090 -0.0084 3546 TRP 37 CH2 0.0018 -0.0093 -0.0086 3547 THR 38 N 0.0023 -0.0073 -0.0098 3548 THR 38 CA 0.0017 -0.0069 -0.0103 3549 THR 38 C 0.0022 -0.0063 -0.0104 3550 THR 38 O 0.0019 -0.0061 -0.0108 3551 THR 38 CB 0.0012 -0.0066 -0.0107 3552 THR 38 OG1 0.0016 -0.0061 -0.0109 3553 THR 38 CG2 0.0007 -0.0072 -0.0105 3554 GLN 39 N 0.0030 -0.0061 -0.0103 3555 GLN 39 CA 0.0034 -0.0055 -0.0105 3556 GLN 39 C 0.0035 -0.0057 -0.0103 3557 GLN 39 O 0.0037 -0.0054 -0.0104 3558 GLN 39 CB 0.0042 -0.0054 -0.0102 3559 GLN 39 CG 0.0041 -0.0051 -0.0105 3560 GLN 39 CD 0.0048 -0.0049 -0.0102 3561 GLN 39 OE1 0.0055 -0.0049 -0.0099 3562 GLN 39 NE2 0.0049 -0.0047 -0.0103 3563 ARG 40 N 0.0022 -0.0042 -0.0124 3564 ARG 40 CA 0.0022 -0.0053 -0.0118 3565 ARG 40 C 0.0018 -0.0055 -0.0109 3566 ARG 40 O 0.0018 -0.0068 -0.0104 3567 ARG 40 CB 0.0018 -0.0051 -0.0112 3568 ARG 40 CG 0.0013 -0.0046 -0.0104 3569 ARG 40 CD 0.0012 -0.0045 -0.0103 3570 ARG 40 NE 0.0014 -0.0056 -0.0102 3571 ARG 40 CZ 0.0010 -0.0065 -0.0092 3572 ARG 40 NH1 0.0005 -0.0061 -0.0083 3573 ARG 40 NH2 0.0013 -0.0074 -0.0094 3574 PHE 41 N 0.0013 -0.0047 -0.0103 3575 PHE 41 CA 0.0008 -0.0050 -0.0093 3576 PHE 41 C 0.0011 -0.0053 -0.0097 3577 PHE 41 O 0.0006 -0.0054 -0.0088 3578 PHE 41 CB 0.0001 -0.0040 -0.0085 3579 PHE 41 CG -0.0002 -0.0037 -0.0081 3580 PHE 41 CD1 -0.0000 -0.0026 -0.0088 3581 PHE 41 CD2 -0.0004 -0.0044 -0.0074 3582 PHE 41 CE1 -0.0003 -0.0027 -0.0082 3583 PHE 41 CE2 -0.0006 -0.0044 -0.0070 3584 PHE 41 CZ -0.0005 -0.0033 -0.0076 3585 PHE 42 N 0.0016 -0.0051 -0.0107 3586 PHE 42 CA 0.0016 -0.0050 -0.0109 3587 PHE 42 C 0.0022 -0.0059 -0.0117 3588 PHE 42 O 0.0027 -0.0057 -0.0126 3589 PHE 42 CB 0.0016 -0.0037 -0.0114 3590 PHE 42 CG 0.0009 -0.0029 -0.0104 3591 PHE 42 CD1 0.0009 -0.0019 -0.0108 3592 PHE 42 CD2 0.0004 -0.0027 -0.0095 3593 PHE 42 CE1 0.0002 -0.0011 -0.0098 3594 PHE 42 CE2 -0.0002 -0.0020 -0.0087 3595 PHE 42 CZ -0.0003 -0.0011 -0.0090 3596 GLU 43 N -0.0089 -0.0025 -0.0134 3597 GLU 43 CA -0.0098 -0.0002 -0.0103 3598 GLU 43 C -0.0144 0.0051 -0.0073 3599 GLU 43 O -0.0143 0.0064 -0.0045 3600 GLU 43 CB -0.0120 0.0002 -0.0131 3601 GLU 43 CG -0.0132 0.0001 -0.0154 3602 GLU 43 CD -0.0084 -0.0041 -0.0159 3603 GLU 43 OE1 -0.0066 -0.0032 -0.0110 3604 GLU 43 OE2 -0.0068 -0.0069 -0.0188 3605 SER 44 N -0.0163 0.0055 -0.0097 3606 SER 44 CA -0.0203 0.0094 -0.0085 3607 SER 44 C -0.0185 0.0101 -0.0041 3608 SER 44 O -0.0203 0.0130 -0.0014 3609 SER 44 CB -0.0227 0.0099 -0.0115 3610 SER 44 OG -0.0217 0.0087 -0.0122 3611 PHE 45 N -0.0142 0.0079 -0.0012 3612 PHE 45 CA -0.0124 0.0086 0.0031 3613 PHE 45 C -0.0117 0.0107 0.0084 3614 PHE 45 O -0.0105 0.0113 0.0116 3615 PHE 45 CB -0.0082 0.0049 0.0025 3616 PHE 45 CG -0.0091 0.0042 -0.0004 3617 PHE 45 CD1 -0.0056 0.0019 0.0007 3618 PHE 45 CD2 -0.0121 0.0050 -0.0037 3619 PHE 45 CE1 -0.0065 0.0009 -0.0027 3620 PHE 45 CE2 -0.0126 0.0038 -0.0069 3621 PHE 45 CZ -0.0102 0.0021 -0.0063 3622 GLY 46 N -0.0055 0.0154 0.0020 3623 GLY 46 CA 0.0009 0.0197 0.0025 3624 GLY 46 C 0.0080 0.0171 0.0060 3625 GLY 46 O 0.0056 0.0094 0.0083 3626 ASP 47 N 0.0096 0.0225 0.0044 3627 ASP 47 CA 0.0185 0.0158 0.0102 3628 ASP 47 C 0.0102 0.0147 0.0077 3629 ASP 47 O 0.0074 0.0212 0.0041 3630 ASP 47 CB 0.0210 0.0259 0.0070 3631 ASP 47 CG 0.0279 0.0233 0.0105 3632 ASP 47 OD1 0.0300 0.0301 0.0084 3633 ASP 47 OD2 0.0296 0.0169 0.0137 3634 LEU 48 N 0.0116 0.0084 0.0108 3635 LEU 48 CA 0.0060 0.0041 0.0106 3636 LEU 48 C 0.0121 0.0013 0.0139 3637 LEU 48 O 0.0099 -0.0051 0.0157 3638 LEU 48 CB 0.0021 -0.0019 0.0117 3639 LEU 48 CG -0.0047 0.0022 0.0076 3640 LEU 48 CD1 -0.0109 -0.0056 0.0086 3641 LEU 48 CD2 -0.0089 0.0081 0.0037 3642 SER 49 N 0.0259 0.0051 0.0349 3643 SER 49 CA 0.0246 0.0035 0.0459 3644 SER 49 C 0.0147 0.0037 0.0385 3645 SER 49 O 0.0049 0.0018 0.0471 3646 SER 49 CB 0.0377 0.0046 0.0452 3647 SER 49 OG 0.0406 0.0066 0.0322 3648 THR 50 N 0.0132 0.0053 0.0259 3649 THR 50 CA -0.0025 0.0041 0.0255 3650 THR 50 C -0.0105 0.0053 0.0120 3651 THR 50 O -0.0056 0.0063 0.0077 3652 THR 50 CB 0.0058 0.0068 0.0105 3653 THR 50 OG1 0.0112 0.0090 -0.0027 3654 THR 50 CG2 0.0148 0.0065 0.0183 3655 PRO 51 N -0.0215 0.0049 0.0086 3656 PRO 51 CA -0.0301 0.0054 -0.0002 3657 PRO 51 C -0.0260 0.0074 -0.0122 3658 PRO 51 O -0.0275 0.0082 -0.0188 3659 PRO 51 CB -0.0426 0.0047 -0.0021 3660 PRO 51 CG -0.0424 0.0030 0.0106 3661 PRO 51 CD -0.0267 0.0036 0.0156 3662 ASP 52 N -0.0181 0.0075 -0.0196 3663 ASP 52 CA -0.0148 0.0063 -0.0277 3664 ASP 52 C -0.0075 0.0058 -0.0244 3665 ASP 52 O -0.0064 0.0052 -0.0288 3666 ASP 52 CB -0.0139 0.0058 -0.0309 3667 ASP 52 CG -0.0207 0.0062 -0.0348 3668 ASP 52 OD1 -0.0252 0.0068 -0.0345 3669 ASP 52 OD2 -0.0221 0.0077 -0.0229 3670 ALA 53 N -0.0038 0.0058 -0.0199 3671 ALA 53 CA 0.0028 0.0053 -0.0173 3672 ALA 53 C 0.0023 0.0057 -0.0142 3673 ALA 53 O 0.0037 0.0054 -0.0156 3674 ALA 53 CB 0.0065 0.0055 -0.0117 3675 VAL 54 N -0.0037 0.0071 -0.0082 3676 VAL 54 CA -0.0060 0.0076 -0.0058 3677 VAL 54 C -0.0084 0.0072 -0.0118 3678 VAL 54 O -0.0057 0.0068 -0.0131 3679 VAL 54 CB -0.0118 0.0089 0.0000 3680 VAL 54 CG1 -0.0141 0.0093 0.0016 3681 VAL 54 CG2 -0.0100 0.0093 0.0057 3682 MET 55 N -0.0082 0.0053 -0.0091 3683 MET 55 CA -0.0071 0.0043 -0.0085 3684 MET 55 C -0.0069 0.0018 -0.0079 3685 MET 55 O -0.0055 0.0015 -0.0073 3686 MET 55 CB -0.0080 0.0041 -0.0088 3687 MET 55 CG -0.0079 0.0057 -0.0091 3688 MET 55 SD -0.0062 0.0077 -0.0087 3689 MET 55 CE -0.0049 0.0065 -0.0079 3690 GLY 56 N -0.0084 0.0017 -0.0086 3691 GLY 56 CA -0.0078 -0.0002 -0.0080 3692 GLY 56 C -0.0070 -0.0002 -0.0076 3693 GLY 56 O -0.0069 -0.0014 -0.0073 3694 ASN 57 N -0.0068 0.0014 -0.0078 3695 ASN 57 CA -0.0061 0.0017 -0.0076 3696 ASN 57 C -0.0043 0.0011 -0.0067 3697 ASN 57 O -0.0029 0.0014 -0.0061 3698 ASN 57 CB -0.0062 0.0036 -0.0080 3699 ASN 57 CG -0.0055 0.0039 -0.0077 3700 ASN 57 OD1 -0.0040 0.0035 -0.0070 3701 ASN 57 ND2 -0.0065 0.0048 -0.0083 3702 PRO 58 N -0.0118 -0.0083 0.0032 3703 PRO 58 CA -0.0099 -0.0093 0.0055 3704 PRO 58 C -0.0083 -0.0074 0.0052 3705 PRO 58 O -0.0058 -0.0075 0.0071 3706 PRO 58 CB -0.0114 -0.0119 0.0067 3707 PRO 58 CG -0.0140 -0.0107 0.0036 3708 PRO 58 CD -0.0144 -0.0107 0.0033 3709 LYS 59 N -0.0091 -0.0064 0.0037 3710 LYS 59 CA -0.0077 -0.0049 0.0035 3711 LYS 59 C -0.0052 -0.0022 0.0030 3712 LYS 59 O -0.0032 -0.0016 0.0040 3713 LYS 59 CB -0.0090 -0.0043 0.0019 3714 LYS 59 CG -0.0105 -0.0063 0.0025 3715 LYS 59 CD -0.0120 -0.0060 0.0012 3716 LYS 59 CE -0.0127 -0.0066 0.0012 3717 LYS 59 NZ -0.0154 -0.0090 0.0012 3718 VAL 60 N -0.0063 -0.0018 0.0018 3719 VAL 60 CA -0.0041 0.0004 0.0016 3720 VAL 60 C -0.0021 -0.0002 0.0036 3721 VAL 60 O 0.0003 0.0011 0.0043 3722 VAL 60 CB -0.0056 0.0015 -0.0005 3723 VAL 60 CG1 -0.0032 0.0031 -0.0001 3724 VAL 60 CG2 -0.0075 0.0021 -0.0025 3725 LYS 61 N -0.0014 -0.0035 0.0041 3726 LYS 61 CA -0.0010 -0.0025 0.0067 3727 LYS 61 C -0.0005 -0.0032 0.0106 3728 LYS 61 O 0.0001 -0.0010 0.0133 3729 LYS 61 CB -0.0013 -0.0038 0.0054 3730 LYS 61 CG -0.0018 -0.0025 0.0013 3731 LYS 61 CD -0.0021 -0.0046 0.0004 3732 LYS 61 CE -0.0024 -0.0029 -0.0031 3733 LYS 61 NZ -0.0027 -0.0050 -0.0038 3734 ALA 62 N -0.0006 -0.0067 0.0115 3735 ALA 62 CA -0.0002 -0.0080 0.0156 3736 ALA 62 C 0.0004 -0.0056 0.0178 3737 ALA 62 O 0.0009 -0.0043 0.0208 3738 ALA 62 CB -0.0006 -0.0121 0.0154 3739 HIS 63 N 0.0001 -0.0050 0.0152 3740 HIS 63 CA 0.0005 -0.0028 0.0170 3741 HIS 63 C 0.0009 0.0015 0.0172 3742 HIS 63 O 0.0015 0.0031 0.0201 3743 HIS 63 CB 0.0002 -0.0031 0.0153 3744 HIS 63 CG 0.0005 -0.0020 0.0163 3745 HIS 63 ND1 0.0008 -0.0034 0.0196 3746 HIS 63 CD2 0.0006 0.0016 0.0151 3747 HIS 63 CE1 0.0012 -0.0002 0.0203 3748 HIS 63 NE2 0.0009 0.0009 0.0171 3749 GLY 64 N 0.0024 -0.0024 0.0114 3750 GLY 64 CA 0.0008 0.0042 0.0116 3751 GLY 64 C 0.0002 0.0072 0.0161 3752 GLY 64 O -0.0007 0.0112 0.0201 3753 LYS 65 N 0.0014 0.0020 0.0165 3754 LYS 65 CA 0.0012 0.0035 0.0217 3755 LYS 65 C 0.0016 0.0026 0.0287 3756 LYS 65 O 0.0007 0.0066 0.0326 3757 LYS 65 CB 0.0025 -0.0022 0.0196 3758 LYS 65 CG 0.0022 -0.0003 0.0250 3759 LYS 65 CD 0.0044 -0.0098 0.0215 3760 LYS 65 CE 0.0042 -0.0080 0.0311 3761 LYS 65 NZ 0.0051 -0.0121 0.0278 3762 LYS 66 N 0.0027 -0.0019 0.0302 3763 LYS 66 CA 0.0032 -0.0034 0.0369 3764 LYS 66 C 0.0016 0.0036 0.0386 3765 LYS 66 O 0.0012 0.0057 0.0446 3766 LYS 66 CB 0.0045 -0.0089 0.0370 3767 LYS 66 CG 0.0053 -0.0120 0.0402 3768 LYS 66 CD 0.0077 -0.0219 0.0405 3769 LYS 66 CE 0.0078 -0.0212 0.0517 3770 LYS 66 NZ 0.0094 -0.0275 0.0542 3771 VAL 67 N 0.0000 -0.0004 0.0233 3772 VAL 67 CA -0.0023 -0.0015 0.0246 3773 VAL 67 C -0.0042 -0.0007 0.0235 3774 VAL 67 O -0.0065 -0.0011 0.0240 3775 VAL 67 CB -0.0003 -0.0025 0.0260 3776 VAL 67 CG1 -0.0027 -0.0030 0.0266 3777 VAL 67 CG2 0.0018 -0.0034 0.0272 3778 LEU 68 N -0.0039 0.0006 0.0218 3779 LEU 68 CA -0.0062 0.0013 0.0209 3780 LEU 68 C -0.0078 0.0023 0.0196 3781 LEU 68 O -0.0101 0.0025 0.0193 3782 LEU 68 CB -0.0059 0.0026 0.0193 3783 LEU 68 CG -0.0068 0.0024 0.0194 3784 LEU 68 CD1 -0.0083 0.0014 0.0208 3785 LEU 68 CD2 -0.0061 0.0035 0.0181 3786 GLY 69 N -0.0062 0.0028 0.0190 3787 GLY 69 CA -0.0076 0.0032 0.0184 3788 GLY 69 C -0.0096 0.0022 0.0197 3789 GLY 69 O -0.0117 0.0025 0.0192 3790 ALA 70 N -0.0137 -0.0102 0.0127 3791 ALA 70 CA -0.0146 -0.0111 0.0126 3792 ALA 70 C -0.0132 -0.0103 0.0123 3793 ALA 70 O -0.0138 -0.0101 0.0128 3794 ALA 70 CB -0.0149 -0.0132 0.0113 3795 PHE 71 N -0.0113 -0.0098 0.0114 3796 PHE 71 CA -0.0096 -0.0088 0.0110 3797 PHE 71 C -0.0099 -0.0068 0.0127 3798 PHE 71 O -0.0101 -0.0065 0.0129 3799 PHE 71 CB -0.0075 -0.0087 0.0098 3800 PHE 71 CG -0.0058 -0.0076 0.0095 3801 PHE 71 CD1 -0.0050 -0.0090 0.0080 3802 PHE 71 CD2 -0.0053 -0.0055 0.0106 3803 PHE 71 CE1 -0.0036 -0.0079 0.0079 3804 PHE 71 CE2 -0.0038 -0.0049 0.0101 3805 PHE 71 CZ -0.0030 -0.0061 0.0088 3806 SER 72 N -0.0104 -0.0058 0.0136 3807 SER 72 CA -0.0109 -0.0041 0.0151 3808 SER 72 C -0.0122 -0.0041 0.0160 3809 SER 72 O -0.0123 -0.0030 0.0169 3810 SER 72 CB -0.0108 -0.0022 0.0164 3811 SER 72 OG -0.0095 -0.0026 0.0153 3812 ASP 73 N -0.0222 -0.0040 0.0143 3813 ASP 73 CA -0.0234 -0.0046 0.0126 3814 ASP 73 C -0.0216 -0.0050 0.0107 3815 ASP 73 O -0.0199 -0.0048 0.0109 3816 ASP 73 CB -0.0294 -0.0054 0.0115 3817 ASP 73 CG -0.0301 -0.0043 0.0155 3818 ASP 73 OD1 -0.0318 -0.0032 0.0193 3819 ASP 73 OD2 -0.0367 -0.0054 0.0135 3820 GLY 74 N -0.0184 -0.0059 0.0068 3821 GLY 74 CA -0.0155 -0.0065 0.0042 3822 GLY 74 C -0.0107 -0.0057 0.0055 3823 GLY 74 O -0.0081 -0.0059 0.0043 3824 LEU 75 N -0.0097 -0.0045 0.0092 3825 LEU 75 CA -0.0058 -0.0036 0.0114 3826 LEU 75 C -0.0058 -0.0030 0.0132 3827 LEU 75 O -0.0024 -0.0024 0.0146 3828 LEU 75 CB -0.0043 -0.0026 0.0144 3829 LEU 75 CG -0.0018 -0.0028 0.0129 3830 LEU 75 CD1 -0.0003 -0.0040 0.0086 3831 LEU 75 CD2 -0.0021 -0.0026 0.0137 3832 ALA 76 N -0.0157 -0.0032 0.0126 3833 ALA 76 CA -0.0148 -0.0035 0.0146 3834 ALA 76 C -0.0141 -0.0027 0.0122 3835 ALA 76 O -0.0116 -0.0025 0.0131 3836 ALA 76 CB -0.0180 -0.0044 0.0158 3837 HIS 77 N -0.0133 -0.0017 0.0086 3838 HIS 77 CA -0.0120 -0.0009 0.0067 3839 HIS 77 C -0.0109 0.0003 0.0028 3840 HIS 77 O -0.0109 0.0011 -0.0002 3841 HIS 77 CB -0.0150 -0.0009 0.0044 3842 HIS 77 CG -0.0171 -0.0019 0.0068 3843 HIS 77 ND1 -0.0200 -0.0028 0.0078 3844 HIS 77 CD2 -0.0163 -0.0020 0.0076 3845 HIS 77 CE1 -0.0215 -0.0040 0.0114 3846 HIS 77 NE2 -0.0192 -0.0035 0.0112 3847 LEU 78 N -0.0079 0.0006 0.0040 3848 LEU 78 CA -0.0057 0.0015 0.0020 3849 LEU 78 C -0.0040 0.0026 -0.0010 3850 LEU 78 O -0.0030 0.0034 -0.0032 3851 LEU 78 CB -0.0041 0.0014 0.0036 3852 LEU 78 CG -0.0059 0.0012 0.0032 3853 LEU 78 CD1 -0.0037 0.0007 0.0067 3854 LEU 78 CD2 -0.0073 0.0012 0.0018 3855 ASP 79 N -0.0088 0.0038 -0.0015 3856 ASP 79 CA -0.0087 0.0028 -0.0023 3857 ASP 79 C -0.0098 0.0028 -0.0033 3858 ASP 79 O -0.0098 0.0021 -0.0040 3859 ASP 79 CB -0.0095 0.0032 -0.0026 3860 ASP 79 CG -0.0091 0.0036 -0.0019 3861 ASP 79 OD1 -0.0094 0.0034 -0.0023 3862 ASP 79 OD2 -0.0080 0.0023 -0.0021 3863 ASN 80 N -0.0100 0.0036 -0.0027 3864 ASN 80 CA -0.0107 0.0033 -0.0036 3865 ASN 80 C -0.0108 0.0040 -0.0030 3866 ASN 80 O -0.0115 0.0044 -0.0032 3867 ASN 80 CB -0.0115 0.0036 -0.0040 3868 ASN 80 CG -0.0124 0.0040 -0.0044 3869 ASN 80 OD1 -0.0129 0.0034 -0.0054 3870 ASN 80 ND2 -0.0124 0.0046 -0.0037 3871 LEU 81 N -0.0099 0.0034 -0.0027 3872 LEU 81 CA -0.0098 0.0039 -0.0022 3873 LEU 81 C -0.0105 0.0037 -0.0030 3874 LEU 81 O -0.0109 0.0044 -0.0027 3875 LEU 81 CB -0.0088 0.0034 -0.0018 3876 LEU 81 CG -0.0082 0.0038 -0.0008 3877 LEU 81 CD1 -0.0073 0.0033 -0.0006 3878 LEU 81 CD2 -0.0085 0.0047 -0.0002 3879 LYS 82 N -0.0076 0.0055 0.0008 3880 LYS 82 CA -0.0076 0.0063 0.0007 3881 LYS 82 C -0.0073 0.0067 0.0003 3882 LYS 82 O -0.0074 0.0073 0.0003 3883 LYS 82 CB -0.0074 0.0063 0.0004 3884 LYS 82 CG -0.0077 0.0063 0.0008 3885 LYS 82 CD -0.0075 0.0064 0.0006 3886 LYS 82 CE -0.0081 0.0058 0.0016 3887 LYS 82 NZ -0.0076 0.0055 0.0008 3888 GLY 83 N -0.0069 0.0063 -0.0004 3889 GLY 83 CA -0.0066 0.0068 -0.0008 3890 GLY 83 C -0.0068 0.0068 -0.0006 3891 GLY 83 O -0.0069 0.0075 -0.0005 3892 THR 84 N -0.0071 0.0063 -0.0000 3893 THR 84 CA -0.0072 0.0063 0.0002 3894 THR 84 C -0.0076 0.0072 0.0006 3895 THR 84 O -0.0077 0.0073 0.0008 3896 THR 84 CB -0.0075 0.0056 0.0006 3897 THR 84 OG1 -0.0072 0.0051 0.0002 3898 THR 84 CG2 -0.0077 0.0055 0.0010 3899 PHE 85 N 0.0046 0.0031 0.0019 3900 PHE 85 CA 0.0037 0.0029 0.0013 3901 PHE 85 C 0.0063 0.0049 0.0044 3902 PHE 85 O 0.0059 0.0058 0.0051 3903 PHE 85 CB -0.0005 0.0045 0.0009 3904 PHE 85 CG -0.0022 0.0018 -0.0025 3905 PHE 85 CD1 -0.0048 0.0021 -0.0034 3906 PHE 85 CD2 -0.0019 -0.0005 -0.0046 3907 PHE 85 CE1 -0.0069 -0.0003 -0.0067 3908 PHE 85 CE2 -0.0037 -0.0031 -0.0079 3909 PHE 85 CZ -0.0062 -0.0033 -0.0092 3910 ALA 86 N 0.0086 0.0064 0.0069 3911 ALA 86 CA 0.0102 0.0090 0.0102 3912 ALA 86 C 0.0131 0.0072 0.0097 3913 ALA 86 O 0.0126 0.0088 0.0111 3914 ALA 86 CB 0.0139 0.0095 0.0123 3915 THR 87 N 0.0151 0.0043 0.0079 3916 THR 87 CA 0.0174 0.0031 0.0077 3917 THR 87 C 0.0149 0.0028 0.0063 3918 THR 87 O 0.0157 0.0035 0.0073 3919 THR 87 CB 0.0203 -0.0003 0.0057 3920 THR 87 OG1 0.0228 0.0002 0.0073 3921 THR 87 CG2 0.0231 -0.0014 0.0060 3922 LEU 88 N 0.0139 0.0001 0.0017 3923 LEU 88 CA 0.0122 -0.0000 0.0016 3924 LEU 88 C 0.0113 0.0015 0.0014 3925 LEU 88 O 0.0100 0.0021 0.0013 3926 LEU 88 CB 0.0115 -0.0015 0.0017 3927 LEU 88 CG 0.0117 -0.0031 0.0019 3928 LEU 88 CD1 0.0114 -0.0042 0.0020 3929 LEU 88 CD2 0.0109 -0.0031 0.0018 3930 SER 89 N 0.0122 0.0023 0.0014 3931 SER 89 CA 0.0117 0.0039 0.0012 3932 SER 89 C 0.0113 0.0051 0.0011 3933 SER 89 O 0.0102 0.0061 0.0009 3934 SER 89 CB 0.0127 0.0047 0.0012 3935 SER 89 OG 0.0120 0.0061 0.0010 3936 GLU 90 N 0.0128 0.0054 0.0011 3937 GLU 90 CA 0.0128 0.0062 0.0010 3938 GLU 90 C 0.0115 0.0058 0.0010 3939 GLU 90 O 0.0108 0.0068 0.0009 3940 GLU 90 CB 0.0146 0.0062 0.0011 3941 GLU 90 CG 0.0146 0.0077 0.0010 3942 GLU 90 CD 0.0175 0.0076 0.0011 3943 GLU 90 OE1 0.0168 0.0070 0.0011 3944 GLU 90 OE2 0.0177 0.0063 0.0012 3945 LEU 91 N 0.0092 0.0035 -0.0021 3946 LEU 91 CA 0.0076 0.0041 -0.0012 3947 LEU 91 C 0.0068 0.0042 -0.0006 3948 LEU 91 O 0.0053 0.0050 -0.0005 3949 LEU 91 CB 0.0074 0.0033 0.0005 3950 LEU 91 CG 0.0058 0.0034 0.0021 3951 LEU 91 CD1 0.0041 0.0048 0.0014 3952 LEU 91 CD2 0.0057 0.0026 0.0037 3953 HIS 92 N 0.0080 0.0031 0.0001 3954 HIS 92 CA 0.0072 0.0031 0.0010 3955 HIS 92 C 0.0075 0.0039 -0.0008 3956 HIS 92 O 0.0064 0.0044 -0.0005 3957 HIS 92 CB 0.0088 0.0019 0.0015 3958 HIS 92 CG 0.0084 0.0010 0.0035 3959 HIS 92 ND1 0.0090 0.0005 0.0038 3960 HIS 92 CD2 0.0078 0.0005 0.0052 3961 HIS 92 CE1 0.0085 -0.0002 0.0057 3962 HIS 92 NE2 0.0076 -0.0001 0.0067 3963 CYS 93 N 0.0084 0.0042 -0.0024 3964 CYS 93 CA 0.0081 0.0052 -0.0040 3965 CYS 93 C 0.0063 0.0066 -0.0045 3966 CYS 93 O 0.0055 0.0071 -0.0045 3967 CYS 93 CB 0.0098 0.0048 -0.0052 3968 CYS 93 SG 0.0095 0.0061 -0.0072 3969 ASP 94 N 0.0039 0.0087 -0.0101 3970 ASP 94 CA 0.0017 0.0126 -0.0124 3971 ASP 94 C -0.0007 0.0145 -0.0095 3972 ASP 94 O -0.0025 0.0171 -0.0100 3973 ASP 94 CB 0.0027 0.0125 -0.0155 3974 ASP 94 CG 0.0050 0.0110 -0.0194 3975 ASP 94 OD1 0.0054 0.0101 -0.0184 3976 ASP 94 OD2 0.0058 0.0107 -0.0213 3977 LYS 95 N -0.0009 0.0138 -0.0069 3978 LYS 95 CA -0.0036 0.0162 -0.0041 3979 LYS 95 C -0.0042 0.0157 -0.0007 3980 LYS 95 O -0.0060 0.0172 0.0013 3981 LYS 95 CB -0.0038 0.0163 -0.0037 3982 LYS 95 CG -0.0026 0.0163 -0.0074 3983 LYS 95 CD -0.0056 0.0211 -0.0097 3984 LYS 95 CE -0.0061 0.0231 -0.0132 3985 LYS 95 NZ -0.0091 0.0272 -0.0135 3986 LEU 96 N -0.0020 0.0120 0.0014 3987 LEU 96 CA -0.0027 0.0113 0.0053 3988 LEU 96 C -0.0024 0.0108 0.0056 3989 LEU 96 O -0.0033 0.0108 0.0089 3990 LEU 96 CB -0.0013 0.0086 0.0074 3991 LEU 96 CG -0.0015 0.0089 0.0075 3992 LEU 96 CD1 0.0003 0.0058 0.0095 3993 LEU 96 CD2 -0.0041 0.0116 0.0094 3994 HIS 97 N 0.0013 0.0067 -0.0006 3995 HIS 97 CA 0.0015 0.0061 -0.0003 3996 HIS 97 C 0.0021 0.0047 0.0013 3997 HIS 97 O 0.0020 0.0046 0.0026 3998 HIS 97 CB 0.0008 0.0075 0.0002 3999 HIS 97 CG 0.0002 0.0091 -0.0014 4000 HIS 97 ND1 0.0005 0.0088 -0.0033 4001 HIS 97 CD2 -0.0006 0.0107 -0.0009 4002 HIS 97 CE1 -0.0002 0.0105 -0.0044 4003 HIS 97 NE2 -0.0007 0.0113 -0.0029 4004 VAL 98 N 0.0026 0.0034 0.0013 4005 VAL 98 CA 0.0031 0.0021 0.0029 4006 VAL 98 C 0.0040 0.0004 0.0023 4007 VAL 98 O 0.0044 -0.0004 0.0009 4008 VAL 98 CB 0.0034 0.0015 0.0032 4009 VAL 98 CG1 0.0040 -0.0001 0.0045 4010 VAL 98 CG2 0.0025 0.0033 0.0040 4011 ASP 99 N 0.0042 -0.0002 0.0034 4012 ASP 99 CA 0.0050 -0.0019 0.0030 4013 ASP 99 C 0.0056 -0.0033 0.0031 4014 ASP 99 O 0.0056 -0.0034 0.0047 4015 ASP 99 CB 0.0050 -0.0021 0.0046 4016 ASP 99 CG 0.0058 -0.0039 0.0045 4017 ASP 99 OD1 0.0056 -0.0037 0.0058 4018 ASP 99 OD2 0.0064 -0.0048 0.0031 4019 PRO 100 N 0.0057 -0.0013 0.0022 4020 PRO 100 CA 0.0047 -0.0008 0.0017 4021 PRO 100 C 0.0035 -0.0003 0.0006 4022 PRO 100 O 0.0030 -0.0001 -0.0002 4023 PRO 100 CB 0.0045 -0.0006 0.0029 4024 PRO 100 CG 0.0048 -0.0005 0.0042 4025 PRO 100 CD 0.0058 -0.0011 0.0038 4026 GLU 101 N 0.0033 -0.0002 0.0008 4027 GLU 101 CA 0.0023 0.0002 -0.0001 4028 GLU 101 C 0.0025 -0.0001 -0.0018 4029 GLU 101 O 0.0016 0.0002 -0.0028 4030 GLU 101 CB 0.0022 0.0004 0.0003 4031 GLU 101 CG 0.0010 0.0009 -0.0010 4032 GLU 101 CD -0.0009 0.0019 -0.0009 4033 GLU 101 OE1 -0.0006 0.0020 0.0006 4034 GLU 101 OE2 -0.0011 0.0019 -0.0022 4035 ASN 102 N 0.0038 -0.0009 -0.0020 4036 ASN 102 CA 0.0043 -0.0014 -0.0037 4037 ASN 102 C 0.0038 -0.0012 -0.0041 4038 ASN 102 O 0.0034 -0.0012 -0.0057 4039 ASN 102 CB 0.0057 -0.0022 -0.0036 4040 ASN 102 CG 0.0062 -0.0024 -0.0035 4041 ASN 102 OD1 0.0060 -0.0025 -0.0043 4042 ASN 102 ND2 0.0069 -0.0026 -0.0021 4043 PHE 103 N 0.0056 0.0010 -0.0028 4044 PHE 103 CA 0.0050 0.0015 -0.0028 4045 PHE 103 C 0.0039 0.0026 -0.0037 4046 PHE 103 O 0.0035 0.0030 -0.0046 4047 PHE 103 CB 0.0049 0.0017 -0.0014 4048 PHE 103 CG 0.0060 0.0005 -0.0006 4049 PHE 103 CD1 0.0071 -0.0004 -0.0014 4050 PHE 103 CD2 0.0061 0.0005 0.0010 4051 PHE 103 CE1 0.0080 -0.0014 -0.0008 4052 PHE 103 CE2 0.0071 -0.0005 0.0016 4053 PHE 103 CZ 0.0081 -0.0015 0.0008 4054 ARG 104 N 0.0033 0.0032 -0.0033 4055 ARG 104 CA 0.0022 0.0042 -0.0038 4056 ARG 104 C 0.0022 0.0042 -0.0056 4057 ARG 104 O 0.0016 0.0048 -0.0064 4058 ARG 104 CB 0.0016 0.0048 -0.0028 4059 ARG 104 CG 0.0015 0.0049 -0.0014 4060 ARG 104 CD 0.0010 0.0054 -0.0002 4061 ARG 104 NE 0.0010 0.0054 0.0013 4062 ARG 104 CZ 0.0008 0.0055 0.0032 4063 ARG 104 NH1 0.0008 0.0056 0.0019 4064 ARG 104 NH2 0.0000 0.0063 0.0035 4065 LEU 105 N 0.0030 0.0034 -0.0059 4066 LEU 105 CA 0.0032 0.0032 -0.0075 4067 LEU 105 C 0.0034 0.0030 -0.0085 4068 LEU 105 O 0.0029 0.0035 -0.0096 4069 LEU 105 CB 0.0040 0.0025 -0.0075 4070 LEU 105 CG 0.0040 0.0025 -0.0070 4071 LEU 105 CD1 0.0048 0.0017 -0.0070 4072 LEU 105 CD2 0.0029 0.0036 -0.0074 4073 LEU 106 N 0.0052 0.0050 -0.0057 4074 LEU 106 CA 0.0052 0.0042 -0.0052 4075 LEU 106 C 0.0057 0.0044 -0.0048 4076 LEU 106 O 0.0056 0.0041 -0.0047 4077 LEU 106 CB 0.0054 0.0036 -0.0047 4078 LEU 106 CG 0.0055 0.0028 -0.0043 4079 LEU 106 CD1 0.0049 0.0022 -0.0047 4080 LEU 106 CD2 0.0057 0.0024 -0.0038 4081 GLY 107 N 0.0062 0.0051 -0.0046 4082 GLY 107 CA 0.0067 0.0055 -0.0041 4083 GLY 107 C 0.0065 0.0058 -0.0046 4084 GLY 107 O 0.0066 0.0055 -0.0044 4085 ASN 108 N 0.0060 0.0062 -0.0053 4086 ASN 108 CA 0.0057 0.0064 -0.0057 4087 ASN 108 C 0.0053 0.0057 -0.0059 4088 ASN 108 O 0.0052 0.0057 -0.0059 4089 ASN 108 CB 0.0054 0.0071 -0.0064 4090 ASN 108 CG 0.0061 0.0081 -0.0062 4091 ASN 108 OD1 0.0066 0.0082 -0.0056 4092 ASN 108 ND2 0.0057 0.0085 -0.0068 4093 VAL 109 N 0.0057 0.0039 -0.0072 4094 VAL 109 CA 0.0051 0.0028 -0.0072 4095 VAL 109 C 0.0057 0.0019 -0.0067 4096 VAL 109 O 0.0053 0.0014 -0.0067 4097 VAL 109 CB 0.0046 0.0026 -0.0074 4098 VAL 109 CG1 0.0040 0.0014 -0.0074 4099 VAL 109 CG2 0.0039 0.0033 -0.0080 4100 LEU 110 N 0.0066 0.0019 -0.0062 4101 LEU 110 CA 0.0072 0.0011 -0.0057 4102 LEU 110 C 0.0073 0.0011 -0.0056 4103 LEU 110 O 0.0074 0.0004 -0.0054 4104 LEU 110 CB 0.0081 0.0011 -0.0052 4105 LEU 110 CG 0.0089 0.0004 -0.0047 4106 LEU 110 CD1 0.0085 -0.0007 -0.0046 4107 LEU 110 CD2 0.0099 0.0006 -0.0042 4108 VAL 111 N 0.0075 0.0022 -0.0058 4109 VAL 111 CA 0.0077 0.0023 -0.0058 4110 VAL 111 C 0.0067 0.0018 -0.0061 4111 VAL 111 O 0.0068 0.0013 -0.0060 4112 VAL 111 CB 0.0080 0.0035 -0.0059 4113 VAL 111 CG1 0.0079 0.0036 -0.0060 4114 VAL 111 CG2 0.0091 0.0038 -0.0055 4115 CYS 112 N 0.0054 -0.0010 -0.0046 4116 CYS 112 CA 0.0045 -0.0013 -0.0043 4117 CYS 112 C 0.0046 -0.0024 -0.0048 4118 CYS 112 O 0.0040 -0.0031 -0.0049 4119 CYS 112 CB 0.0040 -0.0005 -0.0037 4120 CYS 112 SG 0.0033 0.0000 -0.0031 4121 VAL 113 N 0.0056 -0.0020 -0.0051 4122 VAL 113 CA 0.0059 -0.0025 -0.0056 4123 VAL 113 C 0.0062 -0.0036 -0.0062 4124 VAL 113 O 0.0058 -0.0045 -0.0064 4125 VAL 113 CB 0.0069 -0.0019 -0.0058 4126 VAL 113 CG1 0.0073 -0.0026 -0.0063 4127 VAL 113 CG2 0.0064 -0.0009 -0.0051 4128 LEU 114 N 0.0067 -0.0036 -0.0065 4129 LEU 114 CA 0.0070 -0.0046 -0.0071 4130 LEU 114 C 0.0060 -0.0054 -0.0069 4131 LEU 114 O 0.0058 -0.0063 -0.0072 4132 LEU 114 CB 0.0077 -0.0043 -0.0073 4133 LEU 114 CG 0.0088 -0.0036 -0.0076 4134 LEU 114 CD1 0.0095 -0.0034 -0.0078 4135 LEU 114 CD2 0.0095 -0.0044 -0.0083 4136 ALA 115 N 0.0048 -0.0076 -0.0080 4137 ALA 115 CA 0.0054 -0.0073 -0.0080 4138 ALA 115 C 0.0051 -0.0074 -0.0078 4139 ALA 115 O 0.0055 -0.0072 -0.0074 4140 ALA 115 CB 0.0058 -0.0072 -0.0089 4141 HIS 116 N 0.0046 -0.0077 -0.0081 4142 HIS 116 CA 0.0043 -0.0078 -0.0079 4143 HIS 116 C 0.0041 -0.0079 -0.0071 4144 HIS 116 O 0.0042 -0.0078 -0.0067 4145 HIS 116 CB 0.0036 -0.0082 -0.0084 4146 HIS 116 CG 0.0033 -0.0083 -0.0083 4147 HIS 116 ND1 0.0026 -0.0086 -0.0081 4148 HIS 116 CD2 0.0036 -0.0082 -0.0084 4149 HIS 116 CE1 0.0024 -0.0087 -0.0082 4150 HIS 116 NE2 0.0032 -0.0084 -0.0083 4151 HIS 117 N 0.0037 -0.0080 -0.0067 4152 HIS 117 CA 0.0035 -0.0081 -0.0059 4153 HIS 117 C 0.0041 -0.0077 -0.0054 4154 HIS 117 O 0.0041 -0.0077 -0.0047 4155 HIS 117 CB 0.0029 -0.0083 -0.0058 4156 HIS 117 CG 0.0027 -0.0084 -0.0051 4157 HIS 117 ND1 0.0020 -0.0087 -0.0049 4158 HIS 117 CD2 0.0028 -0.0083 -0.0042 4159 HIS 117 CE1 0.0019 -0.0087 -0.0040 4160 HIS 117 NE2 0.0023 -0.0085 -0.0037 4161 PHE 118 N 0.0081 -0.0180 -0.0174 4162 PHE 118 CA 0.0043 -0.0165 -0.0189 4163 PHE 118 C 0.0018 -0.0155 -0.0199 4164 PHE 118 O -0.0014 -0.0141 -0.0218 4165 PHE 118 CB 0.0025 -0.0166 -0.0160 4166 PHE 118 CG 0.0052 -0.0175 -0.0158 4167 PHE 118 CD1 0.0074 -0.0188 -0.0131 4168 PHE 118 CD2 0.0050 -0.0166 -0.0193 4169 PHE 118 CE1 0.0099 -0.0196 -0.0125 4170 PHE 118 CE2 0.0077 -0.0175 -0.0191 4171 PHE 118 CZ 0.0104 -0.0189 -0.0165 4172 GLY 119 N 0.0018 -0.0158 -0.0187 4173 GLY 119 CA -0.0006 -0.0147 -0.0202 4174 GLY 119 C -0.0048 -0.0139 -0.0181 4175 GLY 119 O -0.0060 -0.0142 -0.0151 4176 LYS 120 N -0.0075 -0.0124 -0.0211 4177 LYS 120 CA -0.0115 -0.0114 -0.0198 4178 LYS 120 C -0.0129 -0.0111 -0.0194 4179 LYS 120 O -0.0158 -0.0108 -0.0169 4180 LYS 120 CB -0.0135 -0.0100 -0.0236 4181 LYS 120 CG -0.0148 -0.0091 -0.0257 4182 LYS 120 CD -0.0175 -0.0074 -0.0295 4183 LYS 120 CE -0.0153 -0.0074 -0.0327 4184 LYS 120 NZ -0.0200 -0.0051 -0.0366 4185 GLU 121 N -0.0031 -0.0122 -0.0185 4186 GLU 121 CA -0.0015 -0.0121 -0.0178 4187 GLU 121 C -0.0003 -0.0102 -0.0160 4188 GLU 121 O 0.0009 -0.0098 -0.0153 4189 GLU 121 CB 0.0008 -0.0140 -0.0183 4190 GLU 121 CG 0.0021 -0.0141 -0.0179 4191 GLU 121 CD 0.0041 -0.0166 -0.0190 4192 GLU 121 OE1 0.0062 -0.0158 -0.0177 4193 GLU 121 OE2 0.0040 -0.0170 -0.0193 4194 PHE 122 N -0.0009 -0.0096 -0.0158 4195 PHE 122 CA 0.0000 -0.0078 -0.0142 4196 PHE 122 C -0.0018 -0.0061 -0.0136 4197 PHE 122 O -0.0031 -0.0050 -0.0133 4198 PHE 122 CB -0.0000 -0.0078 -0.0142 4199 PHE 122 CG 0.0015 -0.0065 -0.0126 4200 PHE 122 CD1 0.0035 -0.0066 -0.0120 4201 PHE 122 CD2 0.0007 -0.0046 -0.0116 4202 PHE 122 CE1 0.0050 -0.0053 -0.0105 4203 PHE 122 CE2 0.0017 -0.0031 -0.0102 4204 PHE 122 CZ 0.0038 -0.0037 -0.0098 4205 THR 123 N -0.0017 -0.0060 -0.0135 4206 THR 123 CA -0.0035 -0.0045 -0.0131 4207 THR 123 C -0.0030 -0.0027 -0.0116 4208 THR 123 O -0.0014 -0.0024 -0.0107 4209 THR 123 CB -0.0034 -0.0048 -0.0132 4210 THR 123 OG1 -0.0013 -0.0048 -0.0125 4211 THR 123 CG2 -0.0037 -0.0071 -0.0150 4212 PRO 124 N -0.0008 -0.0007 -0.0121 4213 PRO 124 CA -0.0004 0.0008 -0.0119 4214 PRO 124 C 0.0009 0.0010 -0.0113 4215 PRO 124 O 0.0013 0.0017 -0.0111 4216 PRO 124 CB -0.0012 0.0016 -0.0122 4217 PRO 124 CG -0.0023 0.0007 -0.0127 4218 PRO 124 CD -0.0017 -0.0007 -0.0125 4219 PRO 125 N 0.0019 0.0006 -0.0109 4220 PRO 125 CA 0.0031 0.0008 -0.0103 4221 PRO 125 C 0.0039 0.0002 -0.0100 4222 PRO 125 O 0.0047 0.0007 -0.0097 4223 PRO 125 CB 0.0037 0.0003 -0.0101 4224 PRO 125 CG 0.0028 0.0004 -0.0105 4225 PRO 125 CD 0.0017 0.0001 -0.0110 4226 VAL 126 N 0.0033 -0.0012 -0.0103 4227 VAL 126 CA 0.0038 -0.0020 -0.0101 4228 VAL 126 C 0.0034 -0.0012 -0.0102 4229 VAL 126 O 0.0041 -0.0011 -0.0099 4230 VAL 126 CB 0.0032 -0.0037 -0.0104 4231 VAL 126 CG1 0.0037 -0.0043 -0.0102 4232 VAL 126 CG2 0.0039 -0.0042 -0.0101 4233 GLN 127 N 0.0040 0.0022 -0.0066 4234 GLN 127 CA 0.0040 0.0023 -0.0067 4235 GLN 127 C 0.0041 0.0024 -0.0065 4236 GLN 127 O 0.0041 0.0024 -0.0065 4237 GLN 127 CB 0.0038 0.0023 -0.0070 4238 GLN 127 CG 0.0037 0.0024 -0.0071 4239 GLN 127 CD 0.0035 0.0026 -0.0074 4240 GLN 127 OE1 0.0034 0.0026 -0.0075 4241 GLN 127 NE2 0.0034 0.0026 -0.0074 4242 ALA 128 N 0.0042 0.0027 -0.0065 4243 ALA 128 CA 0.0043 0.0030 -0.0063 4244 ALA 128 C 0.0045 0.0028 -0.0061 4245 ALA 128 O 0.0045 0.0029 -0.0060 4246 ALA 128 CB 0.0043 0.0033 -0.0063 4247 ALA 129 N 0.0045 0.0026 -0.0060 4248 ALA 129 CA 0.0047 0.0025 -0.0057 4249 ALA 129 C 0.0047 0.0022 -0.0058 4250 ALA 129 O 0.0048 0.0022 -0.0056 4251 ALA 129 CB 0.0048 0.0023 -0.0056 4252 TYR 130 N 0.0031 0.0014 -0.0040 4253 TYR 130 CA 0.0026 0.0011 -0.0042 4254 TYR 130 C 0.0023 0.0019 -0.0046 4255 TYR 130 O 0.0024 0.0019 -0.0046 4256 TYR 130 CB 0.0019 0.0005 -0.0044 4257 TYR 130 CG 0.0021 -0.0004 -0.0039 4258 TYR 130 CD1 0.0021 -0.0008 -0.0038 4259 TYR 130 CD2 0.0024 -0.0008 -0.0036 4260 TYR 130 CE1 0.0024 -0.0017 -0.0033 4261 TYR 130 CE2 0.0027 -0.0017 -0.0032 4262 TYR 130 CZ 0.0027 -0.0021 -0.0030 4263 TYR 130 OH 0.0029 -0.0029 -0.0026 4264 GLN 131 N 0.0022 0.0025 -0.0049 4265 GLN 131 CA 0.0020 0.0033 -0.0053 4266 GLN 131 C 0.0026 0.0038 -0.0052 4267 GLN 131 O 0.0026 0.0040 -0.0053 4268 GLN 131 CB 0.0016 0.0040 -0.0058 4269 GLN 131 CG 0.0009 0.0037 -0.0061 4270 GLN 131 CD -0.0000 0.0037 -0.0066 4271 GLN 131 OE1 -0.0005 0.0033 -0.0067 4272 GLN 131 NE2 0.0001 0.0039 -0.0066 4273 LYS 132 N 0.0034 0.0038 -0.0047 4274 LYS 132 CA 0.0042 0.0043 -0.0045 4275 LYS 132 C 0.0043 0.0037 -0.0042 4276 LYS 132 O 0.0044 0.0040 -0.0043 4277 LYS 132 CB 0.0049 0.0043 -0.0041 4278 LYS 132 CG 0.0050 0.0051 -0.0043 4279 LYS 132 CD 0.0058 0.0050 -0.0039 4280 LYS 132 CE 0.0054 0.0053 -0.0042 4281 LYS 132 NZ 0.0069 0.0056 -0.0035 4282 VAL 133 N 0.0032 0.0051 -0.0034 4283 VAL 133 CA 0.0031 0.0044 -0.0030 4284 VAL 133 C 0.0027 0.0040 -0.0035 4285 VAL 133 O 0.0026 0.0037 -0.0033 4286 VAL 133 CB 0.0030 0.0040 -0.0026 4287 VAL 133 CG1 0.0027 0.0032 -0.0025 4288 VAL 133 CG2 0.0034 0.0044 -0.0021 4289 VAL 134 N 0.0024 0.0040 -0.0041 4290 VAL 134 CA 0.0020 0.0035 -0.0045 4291 VAL 134 C 0.0020 0.0038 -0.0048 4292 VAL 134 O 0.0019 0.0035 -0.0048 4293 VAL 134 CB 0.0017 0.0033 -0.0051 4294 VAL 134 CG1 0.0016 0.0030 -0.0049 4295 VAL 134 CG2 0.0018 0.0040 -0.0056 4296 ALA 135 N 0.0023 0.0045 -0.0049 4297 ALA 135 CA 0.0024 0.0049 -0.0052 4298 ALA 135 C 0.0026 0.0047 -0.0045 4299 ALA 135 O 0.0025 0.0046 -0.0046 4300 ALA 135 CB 0.0027 0.0056 -0.0053 4301 GLY 136 N -0.0013 0.0033 -0.0041 4302 GLY 136 CA -0.0008 0.0032 -0.0037 4303 GLY 136 C -0.0002 0.0029 -0.0037 4304 GLY 136 O 0.0002 0.0029 -0.0032 4305 VAL 137 N -0.0002 0.0025 -0.0042 4306 VAL 137 CA 0.0003 0.0021 -0.0042 4307 VAL 137 C 0.0004 0.0021 -0.0041 4308 VAL 137 O 0.0008 0.0021 -0.0037 4309 VAL 137 CB 0.0003 0.0015 -0.0049 4310 VAL 137 CG1 0.0008 0.0011 -0.0050 4311 VAL 137 CG2 0.0003 0.0014 -0.0051 4312 ALA 138 N -0.0000 0.0024 -0.0041 4313 ALA 138 CA -0.0000 0.0026 -0.0038 4314 ALA 138 C 0.0002 0.0029 -0.0032 4315 ALA 138 O 0.0006 0.0029 -0.0029 4316 ALA 138 CB -0.0006 0.0029 -0.0040 4317 ASN 139 N 0.0015 0.0045 -0.0004 4318 ASN 139 CA 0.0013 0.0047 0.0008 4319 ASN 139 C 0.0021 0.0043 0.0013 4320 ASN 139 O 0.0027 0.0041 0.0022 4321 ASN 139 CB 0.0006 0.0052 0.0009 4322 ASN 139 CG -0.0002 0.0057 0.0015 4323 ASN 139 OD1 0.0002 0.0056 0.0027 4324 ASN 139 ND2 -0.0002 0.0056 0.0011 4325 ALA 140 N 0.0023 0.0042 0.0006 4326 ALA 140 CA 0.0030 0.0038 0.0008 4327 ALA 140 C 0.0041 0.0031 0.0008 4328 ALA 140 O 0.0046 0.0029 0.0016 4329 ALA 140 CB 0.0030 0.0037 -0.0001 4330 LEU 141 N 0.0043 0.0029 0.0001 4331 LEU 141 CA 0.0053 0.0024 0.0001 4332 LEU 141 C 0.0055 0.0024 0.0011 4333 LEU 141 O 0.0063 0.0020 0.0015 4334 LEU 141 CB 0.0054 0.0022 -0.0011 4335 LEU 141 CG 0.0057 0.0020 -0.0020 4336 LEU 141 CD1 0.0060 0.0017 -0.0028 4337 LEU 141 CD2 0.0069 0.0013 -0.0015 4338 ALA 142 N 0.0086 0.0059 -0.0001 4339 ALA 142 CA 0.0087 0.0059 0.0010 4340 ALA 142 C 0.0087 0.0060 0.0024 4341 ALA 142 O 0.0090 0.0058 0.0032 4342 ALA 142 CB 0.0079 0.0065 0.0007 4343 HIS 143 N 0.0084 0.0062 0.0027 4344 HIS 143 CA 0.0082 0.0064 0.0040 4345 HIS 143 C 0.0092 0.0057 0.0051 4346 HIS 143 O 0.0088 0.0060 0.0062 4347 HIS 143 CB 0.0077 0.0068 0.0039 4348 HIS 143 CG 0.0075 0.0070 0.0051 4349 HIS 143 ND1 0.0079 0.0067 0.0056 4350 HIS 143 CD2 0.0063 0.0080 0.0058 4351 HIS 143 CE1 0.0072 0.0073 0.0069 4352 HIS 143 NE2 0.0063 0.0080 0.0068 4353 LYS 144 N 0.0101 0.0050 0.0046 4354 LYS 144 CA 0.0112 0.0041 0.0053 4355 LYS 144 C 0.0115 0.0039 0.0057 4356 LYS 144 O 0.0125 0.0032 0.0062 4357 LYS 144 CB 0.0117 0.0037 0.0055 4358 LYS 144 CG 0.0112 0.0041 0.0054 4359 LYS 144 CD 0.0113 0.0041 0.0066 4360 LYS 144 CE 0.0111 0.0043 0.0070 4361 LYS 144 NZ 0.0118 0.0038 0.0084 4362 TYR 145 N 0.0089 -0.0045 -0.0109 4363 TYR 145 CA 0.0089 -0.0043 -0.0103 4364 TYR 145 C 0.0088 -0.0054 -0.0127 4365 TYR 145 O 0.0096 -0.0075 -0.0141 4366 TYR 145 CB 0.0105 -0.0052 -0.0072 4367 TYR 145 CG 0.0103 -0.0032 -0.0044 4368 TYR 145 CD1 0.0101 -0.0018 -0.0023 4369 TYR 145 CD2 0.0103 -0.0029 -0.0039 4370 TYR 145 CE1 0.0099 -0.0001 0.0001 4371 TYR 145 CE2 0.0100 -0.0009 -0.0011 4372 TYR 145 CZ 0.0099 0.0003 0.0007 4373 TYR 145 OH 0.0097 0.0021 0.0033 4374 HIS 146 N 0.0077 -0.0038 -0.0132 4375 HIS 146 CA 0.0074 -0.0047 -0.0156 4376 HIS 146 C 0.0067 -0.0029 -0.0144 4377 HIS 146 O 0.0067 -0.0017 -0.0122 4378 HIS 146 CB 0.0058 -0.0038 -0.0186 4379 HIS 146 CG 0.0044 -0.0010 -0.0176 4380 HIS 146 ND1 0.0025 0.0014 -0.0191 4381 HIS 146 CD2 0.0037 0.0011 -0.0159 4382 HIS 146 CE1 0.0018 0.0026 -0.0188 4383 HIS 146 NE2 0.0018 0.0042 -0.0159 4384 HIS 146 OXT 0.0067 -0.0040 -0.0164