1 VAL 1 N 0.0046 -0.0087 0.0107 2 VAL 1 CA 0.0037 -0.0083 0.0097 3 VAL 1 C 0.0041 -0.0080 0.0066 4 VAL 1 O 0.0063 -0.0086 0.0058 5 VAL 1 CB 0.0053 -0.0090 0.0110 6 VAL 1 CG1 0.0041 -0.0085 0.0102 7 VAL 1 CG2 0.0054 -0.0093 0.0130 8 LEU 2 N 0.0021 -0.0072 0.0058 9 LEU 2 CA 0.0029 -0.0070 0.0029 10 LEU 2 C 0.0041 -0.0073 0.0020 11 LEU 2 O 0.0025 -0.0069 0.0032 12 LEU 2 CB 0.0002 -0.0060 0.0021 13 LEU 2 CG -0.0009 -0.0055 0.0014 14 LEU 2 CD1 0.0003 -0.0058 0.0007 15 LEU 2 CD2 -0.0040 -0.0045 0.0014 16 SER 3 N 0.0057 -0.0077 0.0012 17 SER 3 CA 0.0069 -0.0080 0.0002 18 SER 3 C 0.0052 -0.0072 -0.0015 19 SER 3 O 0.0037 -0.0064 -0.0031 20 SER 3 CB 0.0092 -0.0086 -0.0011 21 SER 3 OG 0.0094 -0.0083 -0.0032 22 PRO 4 N 0.0051 -0.0048 -0.0057 23 PRO 4 CA 0.0036 -0.0054 -0.0071 24 PRO 4 C 0.0038 -0.0052 -0.0086 25 PRO 4 O 0.0025 -0.0057 -0.0091 26 PRO 4 CB 0.0047 -0.0047 -0.0094 27 PRO 4 CG 0.0053 -0.0045 -0.0080 28 PRO 4 CD 0.0057 -0.0046 -0.0055 29 ALA 5 N 0.0059 -0.0043 -0.0078 30 ALA 5 CA 0.0060 -0.0041 -0.0088 31 ALA 5 C 0.0049 -0.0048 -0.0072 32 ALA 5 O 0.0041 -0.0051 -0.0082 33 ALA 5 CB 0.0086 -0.0031 -0.0082 34 ASP 6 N 0.0047 -0.0050 -0.0049 35 ASP 6 CA 0.0032 -0.0058 -0.0037 36 ASP 6 C 0.0012 -0.0066 -0.0050 37 ASP 6 O 0.0003 -0.0069 -0.0050 38 ASP 6 CB 0.0031 -0.0060 -0.0015 39 ASP 6 CG 0.0051 -0.0052 -0.0001 40 ASP 6 OD1 0.0061 -0.0048 -0.0003 41 ASP 6 OD2 0.0054 -0.0052 0.0013 42 LYS 7 N -0.0002 -0.0056 -0.0039 43 LYS 7 CA -0.0019 -0.0062 -0.0049 44 LYS 7 C -0.0023 -0.0059 -0.0064 45 LYS 7 O -0.0030 -0.0064 -0.0064 46 LYS 7 CB -0.0030 -0.0068 -0.0051 47 LYS 7 CG -0.0027 -0.0073 -0.0035 48 LYS 7 CD -0.0037 -0.0077 -0.0042 49 LYS 7 CE -0.0030 -0.0078 -0.0028 50 LYS 7 NZ -0.0044 -0.0082 -0.0038 51 THR 8 N -0.0008 -0.0045 -0.0074 52 THR 8 CA -0.0007 -0.0040 -0.0088 53 THR 8 C -0.0005 -0.0040 -0.0084 54 THR 8 O -0.0010 -0.0041 -0.0089 55 THR 8 CB 0.0004 -0.0027 -0.0101 56 THR 8 OG1 -0.0003 -0.0029 -0.0108 57 THR 8 CG2 0.0005 -0.0022 -0.0113 58 ASN 9 N 0.0009 -0.0038 -0.0067 59 ASN 9 CA 0.0015 -0.0037 -0.0059 60 ASN 9 C 0.0001 -0.0049 -0.0052 61 ASN 9 O 0.0002 -0.0049 -0.0051 62 ASN 9 CB 0.0030 -0.0033 -0.0044 63 ASN 9 CG 0.0045 -0.0021 -0.0053 64 ASN 9 OD1 0.0046 -0.0014 -0.0068 65 ASN 9 ND2 0.0057 -0.0017 -0.0042 66 VAL 10 N -0.0021 -0.0024 -0.0035 67 VAL 10 CA -0.0022 -0.0032 -0.0032 68 VAL 10 C -0.0026 -0.0030 -0.0037 69 VAL 10 O -0.0024 -0.0032 -0.0034 70 VAL 10 CB -0.0024 -0.0039 -0.0031 71 VAL 10 CG1 -0.0025 -0.0047 -0.0029 72 VAL 10 CG2 -0.0021 -0.0041 -0.0028 73 LYS 11 N -0.0032 -0.0028 -0.0042 74 LYS 11 CA -0.0038 -0.0027 -0.0047 75 LYS 11 C -0.0033 -0.0019 -0.0046 76 LYS 11 O -0.0033 -0.0020 -0.0046 77 LYS 11 CB -0.0044 -0.0025 -0.0053 78 LYS 11 CG -0.0048 -0.0031 -0.0054 79 LYS 11 CD -0.0055 -0.0031 -0.0060 80 LYS 11 CE -0.0061 -0.0043 -0.0059 81 LYS 11 NZ -0.0066 -0.0040 -0.0064 82 ALA 12 N -0.0028 -0.0013 -0.0044 83 ALA 12 CA -0.0026 -0.0008 -0.0045 84 ALA 12 C -0.0019 -0.0008 -0.0040 85 ALA 12 O -0.0017 -0.0007 -0.0038 86 ALA 12 CB -0.0022 0.0001 -0.0045 87 ALA 13 N -0.0032 -0.0018 0.0005 88 ALA 13 CA -0.0031 -0.0018 0.0003 89 ALA 13 C -0.0041 -0.0016 0.0004 90 ALA 13 O -0.0042 -0.0015 -0.0000 91 ALA 13 CB -0.0025 -0.0022 0.0011 92 TRP 14 N -0.0047 -0.0018 0.0011 93 TRP 14 CA -0.0056 -0.0017 0.0012 94 TRP 14 C -0.0063 -0.0013 0.0004 95 TRP 14 O -0.0068 -0.0011 0.0001 96 TRP 14 CB -0.0061 -0.0020 0.0023 97 TRP 14 CG -0.0066 -0.0019 0.0024 98 TRP 14 CD1 -0.0078 -0.0017 0.0024 99 TRP 14 CD2 -0.0066 -0.0021 0.0029 100 TRP 14 NE1 -0.0081 -0.0019 0.0028 101 TRP 14 CE2 -0.0076 -0.0020 0.0031 102 TRP 14 CE3 -0.0059 -0.0023 0.0031 103 TRP 14 CZ2 -0.0077 -0.0021 0.0034 104 TRP 14 CZ3 -0.0062 -0.0024 0.0035 105 TRP 14 CH2 -0.0071 -0.0023 0.0036 106 GLY 15 N -0.0059 -0.0012 -0.0000 107 GLY 15 CA -0.0066 -0.0008 -0.0006 108 GLY 15 C -0.0061 -0.0007 -0.0014 109 GLY 15 O -0.0070 -0.0003 -0.0019 110 LYS 16 N -0.0042 0.0036 0.0048 111 LYS 16 CA -0.0033 0.0039 0.0053 112 LYS 16 C -0.0034 0.0031 0.0059 113 LYS 16 O -0.0031 0.0033 0.0060 114 LYS 16 CB -0.0021 0.0046 0.0057 115 LYS 16 CG -0.0014 0.0052 0.0057 116 LYS 16 CD -0.0020 0.0063 0.0043 117 LYS 16 CE -0.0012 0.0063 0.0050 118 LYS 16 NZ -0.0000 0.0067 0.0057 119 VAL 17 N -0.0036 0.0021 0.0067 120 VAL 17 CA -0.0036 0.0013 0.0074 121 VAL 17 C -0.0045 0.0008 0.0070 122 VAL 17 O -0.0042 0.0009 0.0071 123 VAL 17 CB -0.0034 0.0004 0.0083 124 VAL 17 CG1 -0.0040 -0.0006 0.0087 125 VAL 17 CG2 -0.0024 0.0006 0.0090 126 GLY 18 N -0.0054 0.0009 0.0062 127 GLY 18 CA -0.0063 0.0008 0.0055 128 GLY 18 C -0.0067 -0.0005 0.0063 129 GLY 18 O -0.0069 -0.0013 0.0068 130 ALA 19 N -0.0040 0.0004 0.0101 131 ALA 19 CA -0.0033 -0.0003 0.0101 132 ALA 19 C -0.0039 -0.0001 0.0107 133 ALA 19 O -0.0035 -0.0005 0.0107 134 ALA 19 CB -0.0029 -0.0012 0.0108 135 HIS 20 N -0.0046 0.0006 0.0109 136 HIS 20 CA -0.0051 0.0008 0.0114 137 HIS 20 C -0.0050 0.0013 0.0104 138 HIS 20 O -0.0055 0.0017 0.0107 139 HIS 20 CB -0.0059 0.0013 0.0118 140 HIS 20 CG -0.0062 0.0010 0.0127 141 HIS 20 ND1 -0.0059 0.0001 0.0136 142 HIS 20 CD2 -0.0061 0.0008 0.0128 143 HIS 20 CE1 -0.0062 0.0000 0.0141 144 HIS 20 NE2 -0.0063 0.0003 0.0139 145 ALA 21 N -0.0046 0.0014 0.0096 146 ALA 21 CA -0.0046 0.0022 0.0087 147 ALA 21 C -0.0047 0.0019 0.0091 148 ALA 21 O -0.0050 0.0026 0.0087 149 ALA 21 CB -0.0042 0.0023 0.0078 150 GLY 22 N -0.0034 0.0045 0.0095 151 GLY 22 CA -0.0038 0.0049 0.0093 152 GLY 22 C -0.0043 0.0049 0.0092 153 GLY 22 O -0.0047 0.0052 0.0090 154 GLU 23 N -0.0047 0.0043 0.0093 155 GLU 23 CA -0.0054 0.0042 0.0092 156 GLU 23 C -0.0057 0.0045 0.0090 157 GLU 23 O -0.0062 0.0046 0.0089 158 GLU 23 CB -0.0054 0.0035 0.0094 159 GLU 23 CG -0.0061 0.0033 0.0093 160 GLU 23 CD -0.0061 0.0024 0.0096 161 GLU 23 OE1 -0.0064 0.0024 0.0095 162 GLU 23 OE2 -0.0055 0.0023 0.0097 163 TYR 24 N -0.0054 0.0043 0.0092 164 TYR 24 CA -0.0057 0.0045 0.0090 165 TYR 24 C -0.0056 0.0052 0.0089 166 TYR 24 O -0.0060 0.0054 0.0087 167 TYR 24 CB -0.0052 0.0043 0.0092 168 TYR 24 CG -0.0055 0.0035 0.0094 169 TYR 24 CD1 -0.0052 0.0032 0.0095 170 TYR 24 CD2 -0.0058 0.0032 0.0094 171 TYR 24 CE1 -0.0054 0.0026 0.0097 172 TYR 24 CE2 -0.0060 0.0026 0.0095 173 TYR 24 CZ -0.0057 0.0023 0.0097 174 TYR 24 OH -0.0057 0.0017 0.0099 175 GLY 25 N -0.0062 0.0080 0.0060 176 GLY 25 CA -0.0062 0.0079 0.0062 177 GLY 25 C -0.0059 0.0081 0.0055 178 GLY 25 O -0.0057 0.0077 0.0053 179 ALA 26 N -0.0058 0.0087 0.0051 180 ALA 26 CA -0.0055 0.0089 0.0046 181 ALA 26 C -0.0051 0.0084 0.0039 182 ALA 26 O -0.0049 0.0081 0.0035 183 ALA 26 CB -0.0054 0.0096 0.0042 184 GLU 27 N -0.0051 0.0082 0.0038 185 GLU 27 CA -0.0048 0.0076 0.0033 186 GLU 27 C -0.0048 0.0068 0.0035 187 GLU 27 O -0.0045 0.0066 0.0030 188 GLU 27 CB -0.0048 0.0076 0.0034 189 GLU 27 CG -0.0045 0.0070 0.0029 190 GLU 27 CD -0.0045 0.0069 0.0028 191 GLU 27 OE1 -0.0043 0.0063 0.0027 192 GLU 27 OE2 -0.0046 0.0075 0.0030 193 ALA 28 N -0.0056 0.0108 0.0030 194 ALA 28 CA -0.0064 0.0098 0.0022 195 ALA 28 C -0.0054 0.0087 0.0012 196 ALA 28 O -0.0054 0.0079 0.0006 197 ALA 28 CB -0.0079 0.0097 0.0020 198 LEU 29 N -0.0049 0.0086 0.0012 199 LEU 29 CA -0.0037 0.0075 0.0003 200 LEU 29 C -0.0024 0.0075 0.0004 201 LEU 29 O -0.0020 0.0065 -0.0004 202 LEU 29 CB -0.0031 0.0074 0.0003 203 LEU 29 CG -0.0044 0.0072 0.0001 204 LEU 29 CD1 -0.0035 0.0075 0.0003 205 LEU 29 CD2 -0.0047 0.0060 -0.0010 206 GLU 30 N -0.0015 0.0085 0.0012 207 GLU 30 CA -0.0004 0.0085 0.0013 208 GLU 30 C -0.0009 0.0082 0.0010 209 GLU 30 O -0.0001 0.0076 0.0006 210 GLU 30 CB 0.0004 0.0096 0.0023 211 GLU 30 CG 0.0014 0.0096 0.0023 212 GLU 30 CD 0.0026 0.0110 0.0035 213 GLU 30 OE1 0.0018 0.0117 0.0040 214 GLU 30 OE2 0.0040 0.0107 0.0033 215 ARG 31 N 0.0004 0.0037 -0.0025 216 ARG 31 CA 0.0000 0.0014 -0.0032 217 ARG 31 C -0.0001 -0.0001 -0.0039 218 ARG 31 O 0.0003 -0.0014 -0.0056 219 ARG 31 CB -0.0010 0.0003 -0.0018 220 ARG 31 CG -0.0007 0.0014 -0.0017 221 ARG 31 CD -0.0018 0.0004 0.0000 222 ARG 31 NE -0.0018 0.0012 0.0005 223 ARG 31 CZ -0.0013 0.0006 -0.0010 224 ARG 31 NH1 -0.0009 -0.0009 -0.0027 225 ARG 31 NH2 -0.0011 0.0018 -0.0006 226 MET 32 N -0.0007 0.0002 -0.0024 227 MET 32 CA -0.0009 -0.0010 -0.0029 228 MET 32 C 0.0002 -0.0004 -0.0048 229 MET 32 O 0.0004 -0.0020 -0.0062 230 MET 32 CB -0.0016 -0.0007 -0.0011 231 MET 32 CG -0.0020 -0.0019 -0.0010 232 MET 32 SD -0.0028 -0.0011 0.0011 233 MET 32 CE -0.0016 0.0017 0.0004 234 PHE 33 N 0.0010 0.0015 -0.0051 235 PHE 33 CA 0.0022 0.0023 -0.0071 236 PHE 33 C 0.0029 0.0016 -0.0090 237 PHE 33 O 0.0034 0.0009 -0.0107 238 PHE 33 CB 0.0028 0.0048 -0.0069 239 PHE 33 CG 0.0023 0.0057 -0.0051 240 PHE 33 CD1 0.0017 0.0051 -0.0044 241 PHE 33 CD2 0.0025 0.0081 -0.0042 242 PHE 33 CE1 0.0013 0.0062 -0.0027 243 PHE 33 CE2 0.0018 0.0088 -0.0022 244 PHE 33 CZ 0.0014 0.0081 -0.0017 245 LEU 34 N 0.0056 -0.0004 -0.0086 246 LEU 34 CA 0.0062 -0.0008 -0.0099 247 LEU 34 C 0.0050 -0.0027 -0.0105 248 LEU 34 O 0.0055 -0.0034 -0.0119 249 LEU 34 CB 0.0063 0.0001 -0.0091 250 LEU 34 CG 0.0074 0.0017 -0.0088 251 LEU 34 CD1 0.0076 0.0029 -0.0076 252 LEU 34 CD2 0.0088 0.0022 -0.0100 253 SER 35 N 0.0034 -0.0035 -0.0092 254 SER 35 CA 0.0025 -0.0050 -0.0097 255 SER 35 C 0.0022 -0.0063 -0.0108 256 SER 35 O 0.0017 -0.0078 -0.0118 257 SER 35 CB 0.0008 -0.0055 -0.0081 258 SER 35 OG 0.0009 -0.0048 -0.0074 259 PHE 36 N 0.0023 -0.0058 -0.0103 260 PHE 36 CA 0.0021 -0.0067 -0.0111 261 PHE 36 C 0.0034 -0.0056 -0.0116 262 PHE 36 O 0.0032 -0.0051 -0.0107 263 PHE 36 CB 0.0006 -0.0071 -0.0097 264 PHE 36 CG -0.0009 -0.0080 -0.0086 265 PHE 36 CD1 -0.0013 -0.0071 -0.0070 266 PHE 36 CD2 -0.0014 -0.0097 -0.0098 267 PHE 36 CE1 -0.0025 -0.0079 -0.0063 268 PHE 36 CE2 -0.0026 -0.0104 -0.0090 269 PHE 36 CZ -0.0030 -0.0095 -0.0074 270 PRO 37 N 0.0061 -0.0058 -0.0107 271 PRO 37 CA 0.0046 -0.0050 -0.0104 272 PRO 37 C 0.0039 -0.0050 -0.0088 273 PRO 37 O 0.0026 -0.0043 -0.0085 274 PRO 37 CB 0.0050 -0.0050 -0.0113 275 PRO 37 CG 0.0066 -0.0058 -0.0117 276 PRO 37 CD 0.0071 -0.0063 -0.0115 277 THR 38 N 0.0047 -0.0059 -0.0075 278 THR 38 CA 0.0039 -0.0059 -0.0059 279 THR 38 C 0.0027 -0.0053 -0.0055 280 THR 38 O 0.0017 -0.0050 -0.0045 281 THR 38 CB 0.0050 -0.0070 -0.0047 282 THR 38 OG1 0.0058 -0.0074 -0.0049 283 THR 38 CG2 0.0059 -0.0074 -0.0050 284 THR 39 N 0.0028 -0.0051 -0.0065 285 THR 39 CA 0.0016 -0.0044 -0.0061 286 THR 39 C 0.0002 -0.0034 -0.0065 287 THR 39 O -0.0008 -0.0029 -0.0060 288 THR 39 CB 0.0022 -0.0045 -0.0069 289 THR 39 OG1 0.0025 -0.0041 -0.0088 290 THR 39 CG2 0.0035 -0.0055 -0.0065 291 LYS 40 N 0.0022 -0.0031 -0.0061 292 LYS 40 CA -0.0000 -0.0037 -0.0065 293 LYS 40 C -0.0016 -0.0041 -0.0046 294 LYS 40 O -0.0034 -0.0045 -0.0046 295 LYS 40 CB -0.0006 -0.0038 -0.0063 296 LYS 40 CG 0.0003 -0.0037 -0.0084 297 LYS 40 CD -0.0003 -0.0039 -0.0085 298 LYS 40 CE 0.0007 -0.0035 -0.0071 299 LYS 40 NZ 0.0003 -0.0037 -0.0072 300 THR 41 N -0.0005 -0.0037 -0.0027 301 THR 41 CA -0.0017 -0.0039 -0.0007 302 THR 41 C -0.0027 -0.0042 -0.0016 303 THR 41 O -0.0042 -0.0046 -0.0003 304 THR 41 CB 0.0000 -0.0034 0.0013 305 THR 41 OG1 0.0015 -0.0031 0.0006 306 THR 41 CG2 0.0007 -0.0032 0.0022 307 TYR 42 N -0.0022 -0.0042 -0.0034 308 TYR 42 CA -0.0032 -0.0044 -0.0039 309 TYR 42 C -0.0053 -0.0050 -0.0056 310 TYR 42 O -0.0063 -0.0053 -0.0064 311 TYR 42 CB -0.0016 -0.0041 -0.0054 312 TYR 42 CG 0.0000 -0.0036 -0.0037 313 TYR 42 CD1 -0.0003 -0.0036 -0.0023 314 TYR 42 CD2 0.0021 -0.0031 -0.0034 315 TYR 42 CE1 0.0014 -0.0032 -0.0008 316 TYR 42 CE2 0.0036 -0.0026 -0.0019 317 TYR 42 CZ 0.0032 -0.0027 -0.0006 318 TYR 42 OH 0.0048 -0.0022 0.0009 319 PHE 43 N -0.0056 -0.0034 -0.0066 320 PHE 43 CA -0.0063 -0.0040 -0.0072 321 PHE 43 C -0.0057 -0.0066 -0.0044 322 PHE 43 O -0.0050 -0.0060 -0.0038 323 PHE 43 CB -0.0056 -0.0008 -0.0085 324 PHE 43 CG -0.0068 0.0015 -0.0120 325 PHE 43 CD1 -0.0054 0.0039 -0.0118 326 PHE 43 CD2 -0.0088 0.0014 -0.0149 327 PHE 43 CE1 -0.0064 0.0059 -0.0147 328 PHE 43 CE2 -0.0100 0.0035 -0.0181 329 PHE 43 CZ -0.0083 0.0060 -0.0176 330 PRO 44 N -0.0059 -0.0093 -0.0026 331 PRO 44 CA -0.0048 -0.0111 0.0003 332 PRO 44 C -0.0071 -0.0139 -0.0009 333 PRO 44 O -0.0063 -0.0148 0.0009 334 PRO 44 CB -0.0052 -0.0136 0.0017 335 PRO 44 CG -0.0073 -0.0143 -0.0009 336 PRO 44 CD -0.0069 -0.0106 -0.0032 337 HIS 45 N -0.0090 -0.0140 -0.0037 338 HIS 45 CA -0.0110 -0.0158 -0.0052 339 HIS 45 C -0.0110 -0.0138 -0.0066 340 HIS 45 O -0.0125 -0.0149 -0.0081 341 HIS 45 CB -0.0133 -0.0171 -0.0077 342 HIS 45 CG -0.0145 -0.0152 -0.0108 343 HIS 45 ND1 -0.0125 -0.0125 -0.0099 344 HIS 45 CD2 -0.0161 -0.0142 -0.0139 345 HIS 45 CE1 -0.0136 -0.0107 -0.0128 346 HIS 45 NE2 -0.0159 -0.0117 -0.0154 347 PHE 46 N -0.0065 -0.0016 -0.0069 348 PHE 46 CA -0.0065 -0.0006 -0.0055 349 PHE 46 C -0.0055 -0.0007 -0.0022 350 PHE 46 O -0.0054 0.0003 -0.0008 351 PHE 46 CB -0.0082 0.0025 -0.0064 352 PHE 46 CG -0.0089 0.0024 -0.0088 353 PHE 46 CD1 -0.0101 0.0048 -0.0095 354 PHE 46 CD2 -0.0087 0.0007 -0.0108 355 PHE 46 CE1 -0.0110 0.0050 -0.0120 356 PHE 46 CE2 -0.0096 0.0006 -0.0137 357 PHE 46 CZ -0.0108 0.0027 -0.0147 358 ASP 47 N -0.0050 -0.0008 -0.0008 359 ASP 47 CA -0.0044 0.0003 0.0024 360 ASP 47 C -0.0060 0.0039 0.0027 361 ASP 47 O -0.0065 0.0044 0.0015 362 ASP 47 CB -0.0034 -0.0011 0.0037 363 ASP 47 CG -0.0028 -0.0001 0.0072 364 ASP 47 OD1 -0.0030 0.0015 0.0086 365 ASP 47 OD2 -0.0023 -0.0008 0.0077 366 LEU 48 N -0.0062 0.0050 0.0036 367 LEU 48 CA -0.0073 0.0080 0.0040 368 LEU 48 C -0.0071 0.0097 0.0072 369 LEU 48 O -0.0082 0.0121 0.0072 370 LEU 48 CB -0.0084 0.0094 0.0028 371 LEU 48 CG -0.0090 0.0087 -0.0005 372 LEU 48 CD1 -0.0096 0.0098 -0.0008 373 LEU 48 CD2 -0.0099 0.0092 -0.0026 374 SER 49 N -0.0135 0.0100 0.0262 375 SER 49 CA -0.0139 0.0096 0.0267 376 SER 49 C -0.0121 0.0106 0.0226 377 SER 49 O -0.0116 0.0098 0.0189 378 SER 49 CB -0.0165 0.0070 0.0291 379 SER 49 OG -0.0175 0.0046 0.0267 380 HIS 50 N -0.0110 0.0121 0.0229 381 HIS 50 CA -0.0095 0.0127 0.0186 382 HIS 50 C -0.0106 0.0099 0.0153 383 HIS 50 O -0.0132 0.0069 0.0168 384 HIS 50 CB -0.0088 0.0140 0.0198 385 HIS 50 CG -0.0076 0.0142 0.0160 386 HIS 50 ND1 -0.0049 0.0172 0.0141 387 HIS 50 CD2 -0.0078 0.0138 0.0156 388 HIS 50 CE1 -0.0042 0.0168 0.0105 389 HIS 50 NE2 -0.0063 0.0143 0.0113 390 GLY 51 N -0.0102 0.0094 0.0124 391 GLY 51 CA -0.0109 0.0070 0.0086 392 GLY 51 C -0.0129 0.0041 0.0082 393 GLY 51 O -0.0141 0.0016 0.0060 394 SER 52 N -0.0123 0.0077 0.0157 395 SER 52 CA -0.0101 0.0044 0.0128 396 SER 52 C -0.0096 0.0041 0.0103 397 SER 52 O -0.0101 0.0060 0.0079 398 SER 52 CB -0.0103 0.0050 0.0121 399 SER 52 OG -0.0106 0.0067 0.0086 400 ALA 53 N -0.0075 0.0006 0.0091 401 ALA 53 CA -0.0068 -0.0000 0.0061 402 ALA 53 C -0.0068 0.0013 0.0020 403 ALA 53 O -0.0069 0.0022 -0.0005 404 ALA 53 CB -0.0045 -0.0042 0.0054 405 GLN 54 N -0.0072 0.0021 0.0018 406 GLN 54 CA -0.0072 0.0033 -0.0019 407 GLN 54 C -0.0092 0.0074 -0.0024 408 GLN 54 O -0.0091 0.0082 -0.0059 409 GLN 54 CB -0.0073 0.0034 -0.0015 410 GLN 54 CG -0.0054 -0.0001 -0.0024 411 GLN 54 CD -0.0054 -0.0004 -0.0011 412 GLN 54 OE1 -0.0060 -0.0004 0.0024 413 GLN 54 NE2 -0.0039 -0.0026 -0.0031 414 VAL 55 N -0.0059 0.0087 -0.0002 415 VAL 55 CA -0.0080 0.0102 -0.0001 416 VAL 55 C -0.0074 0.0090 0.0007 417 VAL 55 O -0.0072 0.0098 -0.0004 418 VAL 55 CB -0.0113 0.0109 0.0017 419 VAL 55 CG1 -0.0136 0.0120 0.0023 420 VAL 55 CG2 -0.0121 0.0127 0.0001 421 LYS 56 N -0.0065 0.0064 0.0031 422 LYS 56 CA -0.0052 0.0050 0.0039 423 LYS 56 C -0.0034 0.0055 0.0017 424 LYS 56 O -0.0026 0.0053 0.0012 425 LYS 56 CB -0.0049 0.0023 0.0069 426 LYS 56 CG -0.0079 0.0027 0.0090 427 LYS 56 CD -0.0063 -0.0011 0.0123 428 LYS 56 CE -0.0095 -0.0014 0.0154 429 LYS 56 NZ -0.0079 -0.0043 0.0177 430 GLY 57 N -0.0005 0.0046 0.0003 431 GLY 57 CA 0.0021 0.0048 -0.0021 432 GLY 57 C 0.0014 0.0075 -0.0049 433 GLY 57 O 0.0026 0.0073 -0.0056 434 HIS 58 N 0.0047 0.0060 -0.0047 435 HIS 58 CA 0.0026 0.0084 -0.0084 436 HIS 58 C -0.0018 0.0081 -0.0060 437 HIS 58 O -0.0011 0.0090 -0.0080 438 HIS 58 CB 0.0002 0.0105 -0.0112 439 HIS 58 CG -0.0010 0.0133 -0.0159 440 HIS 58 ND1 0.0024 0.0141 -0.0188 441 HIS 58 CD2 -0.0055 0.0151 -0.0174 442 HIS 58 CE1 -0.0010 0.0163 -0.0214 443 HIS 58 NE2 -0.0051 0.0170 -0.0210 444 GLY 59 N -0.0042 0.0069 -0.0028 445 GLY 59 CA -0.0077 0.0063 -0.0003 446 GLY 59 C -0.0058 0.0050 0.0014 447 GLY 59 O -0.0068 0.0056 0.0007 448 LYS 60 N -0.0010 0.0030 0.0030 449 LYS 60 CA 0.0021 0.0018 0.0041 450 LYS 60 C 0.0038 0.0030 0.0010 451 LYS 60 O 0.0040 0.0031 0.0009 452 LYS 60 CB 0.0066 -0.0010 0.0073 453 LYS 60 CG 0.0096 -0.0024 0.0087 454 LYS 60 CD 0.0131 -0.0047 0.0114 455 LYS 60 CE 0.0170 -0.0063 0.0129 456 LYS 60 NZ 0.0210 -0.0094 0.0169 457 LYS 61 N 0.0096 0.0065 -0.0039 458 LYS 61 CA 0.0109 0.0078 -0.0068 459 LYS 61 C 0.0056 0.0082 -0.0095 460 LYS 61 O 0.0064 0.0080 -0.0088 461 LYS 61 CB 0.0135 0.0102 -0.0122 462 LYS 61 CG 0.0201 0.0107 -0.0114 463 LYS 61 CD 0.0221 0.0128 -0.0162 464 LYS 61 CE 0.0251 0.0131 -0.0161 465 LYS 61 NZ 0.0285 0.0154 -0.0209 466 VAL 62 N 0.0018 0.0079 -0.0099 467 VAL 62 CA -0.0035 0.0079 -0.0117 468 VAL 62 C -0.0062 0.0057 -0.0068 469 VAL 62 O -0.0066 0.0061 -0.0079 470 VAL 62 CB -0.0076 0.0080 -0.0132 471 VAL 62 CG1 -0.0131 0.0080 -0.0149 472 VAL 62 CG2 -0.0059 0.0103 -0.0186 473 ALA 63 N -0.0052 0.0043 -0.0030 474 ALA 63 CA -0.0071 0.0023 0.0016 475 ALA 63 C -0.0037 0.0019 0.0038 476 ALA 63 O -0.0055 0.0013 0.0047 477 ALA 63 CB -0.0082 0.0006 0.0057 478 ASP 64 N 0.0025 0.0024 -0.0001 479 ASP 64 CA 0.0032 0.0024 0.0010 480 ASP 64 C 0.0027 0.0025 -0.0004 481 ASP 64 O 0.0021 0.0021 0.0008 482 ASP 64 CB 0.0065 0.0034 0.0007 483 ASP 64 CG 0.0084 0.0034 0.0040 484 ASP 64 OD1 0.0059 0.0024 0.0052 485 ASP 64 OD2 0.0108 0.0043 0.0029 486 ALA 65 N 0.0025 0.0031 -0.0036 487 ALA 65 CA 0.0010 0.0029 -0.0049 488 ALA 65 C -0.0022 0.0018 -0.0043 489 ALA 65 O -0.0024 0.0017 -0.0041 490 ALA 65 CB 0.0012 0.0036 -0.0083 491 LEU 66 N -0.0034 0.0013 -0.0037 492 LEU 66 CA -0.0062 0.0003 -0.0029 493 LEU 66 C -0.0061 -0.0003 0.0000 494 LEU 66 O -0.0076 -0.0009 0.0006 495 LEU 66 CB -0.0079 -0.0002 -0.0031 496 LEU 66 CG -0.0090 0.0001 -0.0062 497 LEU 66 CD1 -0.0102 -0.0003 -0.0060 498 LEU 66 CD2 -0.0106 -0.0000 -0.0080 499 THR 67 N -0.0038 -0.0012 -0.0000 500 THR 67 CA -0.0035 -0.0014 0.0009 501 THR 67 C -0.0031 -0.0013 0.0005 502 THR 67 O -0.0036 -0.0014 0.0008 503 THR 67 CB -0.0028 -0.0016 0.0018 504 THR 67 OG1 -0.0031 -0.0018 0.0022 505 THR 67 CG2 -0.0023 -0.0018 0.0025 506 ASN 68 N -0.0023 -0.0011 -0.0003 507 ASN 68 CA -0.0019 -0.0010 -0.0008 508 ASN 68 C -0.0028 -0.0008 -0.0014 509 ASN 68 O -0.0030 -0.0008 -0.0013 510 ASN 68 CB -0.0011 -0.0007 -0.0017 511 ASN 68 CG -0.0006 -0.0005 -0.0024 512 ASN 68 OD1 -0.0004 -0.0006 -0.0019 513 ASN 68 ND2 -0.0001 -0.0003 -0.0034 514 ALA 69 N -0.0038 -0.0007 -0.0020 515 ALA 69 CA -0.0046 -0.0005 -0.0026 516 ALA 69 C -0.0055 -0.0007 -0.0017 517 ALA 69 O -0.0059 -0.0007 -0.0019 518 ALA 69 CB -0.0053 -0.0004 -0.0031 519 VAL 70 N -0.0058 -0.0019 -0.0019 520 VAL 70 CA -0.0057 -0.0027 -0.0016 521 VAL 70 C -0.0042 -0.0034 -0.0018 522 VAL 70 O -0.0038 -0.0032 -0.0020 523 VAL 70 CB -0.0066 -0.0037 -0.0010 524 VAL 70 CG1 -0.0068 -0.0048 -0.0006 525 VAL 70 CG2 -0.0082 -0.0030 -0.0008 526 ALA 71 N -0.0034 -0.0038 -0.0019 527 ALA 71 CA -0.0018 -0.0044 -0.0021 528 ALA 71 C -0.0013 -0.0034 -0.0026 529 ALA 71 O -0.0000 -0.0038 -0.0028 530 ALA 71 CB -0.0015 -0.0049 -0.0020 531 HIS 72 N -0.0013 -0.0020 -0.0030 532 HIS 72 CA -0.0004 -0.0010 -0.0036 533 HIS 72 C -0.0010 0.0001 -0.0038 534 HIS 72 O -0.0010 0.0014 -0.0043 535 HIS 72 CB 0.0002 -0.0001 -0.0041 536 HIS 72 CG 0.0006 -0.0014 -0.0038 537 HIS 72 ND1 0.0025 -0.0019 -0.0041 538 HIS 72 CD2 0.0007 -0.0022 -0.0035 539 HIS 72 CE1 0.0027 -0.0033 -0.0037 540 HIS 72 NE2 0.0019 -0.0034 -0.0035 541 VAL 73 N -0.0023 -0.0044 -0.0021 542 VAL 73 CA -0.0038 -0.0032 -0.0025 543 VAL 73 C -0.0029 -0.0019 -0.0029 544 VAL 73 O -0.0030 -0.0002 -0.0035 545 VAL 73 CB -0.0052 -0.0046 -0.0020 546 VAL 73 CG1 -0.0043 -0.0063 -0.0015 547 VAL 73 CG2 -0.0073 -0.0040 -0.0021 548 ASP 74 N -0.0007 -0.0026 -0.0028 549 ASP 74 CA 0.0007 -0.0011 -0.0033 550 ASP 74 C 0.0014 0.0006 -0.0039 551 ASP 74 O 0.0026 0.0018 -0.0043 552 ASP 74 CB 0.0028 -0.0023 -0.0030 553 ASP 74 CG 0.0018 -0.0041 -0.0024 554 ASP 74 OD1 0.0009 -0.0039 -0.0024 555 ASP 74 OD2 0.0022 -0.0064 -0.0016 556 ASP 75 N 0.0016 0.0009 -0.0040 557 ASP 75 CA 0.0023 0.0029 -0.0046 558 ASP 75 C 0.0009 0.0029 -0.0046 559 ASP 75 O 0.0018 0.0034 -0.0048 560 ASP 75 CB 0.0045 0.0015 -0.0042 561 ASP 75 CG 0.0050 0.0023 -0.0045 562 ASP 75 OD1 0.0069 0.0045 -0.0053 563 ASP 75 OD2 0.0066 0.0023 -0.0046 564 MET 76 N 0.0011 0.0011 -0.0024 565 MET 76 CA -0.0004 0.0011 -0.0020 566 MET 76 C -0.0004 0.0027 -0.0022 567 MET 76 O -0.0007 0.0024 -0.0021 568 MET 76 CB -0.0021 0.0017 -0.0016 569 MET 76 CG -0.0026 0.0003 -0.0013 570 MET 76 SD -0.0050 0.0003 -0.0006 571 MET 76 CE -0.0052 0.0007 -0.0006 572 PRO 77 N 0.0003 0.0041 -0.0026 573 PRO 77 CA 0.0009 0.0051 -0.0029 574 PRO 77 C 0.0016 0.0045 -0.0030 575 PRO 77 O 0.0012 0.0050 -0.0030 576 PRO 77 CB 0.0018 0.0071 -0.0034 577 PRO 77 CG 0.0010 0.0066 -0.0031 578 PRO 77 CD 0.0006 0.0049 -0.0028 579 ASN 78 N 0.0032 0.0036 -0.0033 580 ASN 78 CA 0.0043 0.0030 -0.0036 581 ASN 78 C 0.0033 0.0014 -0.0031 582 ASN 78 O 0.0029 0.0012 -0.0029 583 ASN 78 CB 0.0062 0.0022 -0.0040 584 ASN 78 CG 0.0070 0.0030 -0.0043 585 ASN 78 OD1 0.0078 0.0044 -0.0047 586 ASN 78 ND2 0.0075 0.0041 -0.0046 587 ALA 79 N 0.0015 0.0021 -0.0031 588 ALA 79 CA 0.0006 0.0014 -0.0034 589 ALA 79 C -0.0006 0.0014 -0.0026 590 ALA 79 O -0.0014 0.0008 -0.0027 591 ALA 79 CB 0.0010 0.0011 -0.0040 592 LEU 80 N -0.0004 0.0021 -0.0019 593 LEU 80 CA -0.0014 0.0023 -0.0009 594 LEU 80 C -0.0017 0.0027 -0.0003 595 LEU 80 O -0.0023 0.0031 0.0006 596 LEU 80 CB -0.0012 0.0028 -0.0005 597 LEU 80 CG -0.0010 0.0023 -0.0013 598 LEU 80 CD1 -0.0007 0.0028 -0.0008 599 LEU 80 CD2 -0.0021 0.0015 -0.0014 600 SER 81 N -0.0012 0.0028 -0.0005 601 SER 81 CA -0.0014 0.0035 0.0004 602 SER 81 C -0.0025 0.0032 0.0008 603 SER 81 O -0.0029 0.0038 0.0018 604 SER 81 CB -0.0008 0.0031 -0.0004 605 SER 81 OG -0.0008 0.0039 0.0005 606 ALA 82 N -0.0047 0.0044 0.0012 607 ALA 82 CA -0.0057 0.0049 0.0010 608 ALA 82 C -0.0044 0.0044 0.0009 609 ALA 82 O -0.0046 0.0042 0.0016 610 ALA 82 CB -0.0071 0.0061 -0.0004 611 LEU 83 N -0.0029 0.0047 -0.0005 612 LEU 83 CA -0.0016 0.0044 -0.0009 613 LEU 83 C -0.0002 0.0033 0.0003 614 LEU 83 O 0.0003 0.0028 0.0008 615 LEU 83 CB -0.0003 0.0048 -0.0026 616 LEU 83 CG 0.0000 0.0054 -0.0040 617 LEU 83 CD1 -0.0019 0.0063 -0.0043 618 LEU 83 CD2 0.0002 0.0064 -0.0061 619 SER 84 N 0.0002 0.0026 0.0013 620 SER 84 CA 0.0012 0.0015 0.0028 621 SER 84 C 0.0001 0.0010 0.0045 622 SER 84 O 0.0010 0.0003 0.0053 623 SER 84 CB 0.0021 0.0006 0.0040 624 SER 84 OG 0.0012 0.0012 0.0033 625 ASP 85 N -0.0022 0.0013 0.0046 626 ASP 85 CA -0.0027 0.0009 0.0054 627 ASP 85 C -0.0024 0.0012 0.0048 628 ASP 85 O -0.0020 0.0007 0.0051 629 ASP 85 CB -0.0041 0.0016 0.0057 630 ASP 85 CG -0.0044 0.0010 0.0065 631 ASP 85 OD1 -0.0043 0.0004 0.0070 632 ASP 85 OD2 -0.0058 0.0018 0.0068 633 LEU 86 N -0.0022 0.0022 0.0038 634 LEU 86 CA -0.0019 0.0025 0.0032 635 LEU 86 C -0.0007 0.0018 0.0030 636 LEU 86 O -0.0004 0.0016 0.0030 637 LEU 86 CB -0.0020 0.0037 0.0022 638 LEU 86 CG -0.0017 0.0041 0.0015 639 LEU 86 CD1 -0.0026 0.0045 0.0017 640 LEU 86 CD2 -0.0014 0.0052 0.0003 641 HIS 87 N 0.0001 0.0015 0.0027 642 HIS 87 CA 0.0013 0.0009 0.0024 643 HIS 87 C 0.0015 -0.0004 0.0035 644 HIS 87 O 0.0021 -0.0007 0.0034 645 HIS 87 CB 0.0023 0.0007 0.0019 646 HIS 87 CG 0.0025 0.0018 0.0007 647 HIS 87 ND1 0.0016 0.0027 0.0005 648 HIS 87 CD2 0.0033 0.0021 -0.0002 649 HIS 87 CE1 0.0020 0.0034 -0.0005 650 HIS 87 NE2 0.0031 0.0031 -0.0009 651 ALA 88 N 0.0023 -0.0003 0.0030 652 ALA 88 CA 0.0025 -0.0011 0.0042 653 ALA 88 C 0.0016 -0.0017 0.0051 654 ALA 88 O 0.0021 -0.0022 0.0059 655 ALA 88 CB 0.0024 -0.0013 0.0045 656 HIS 89 N 0.0004 -0.0014 0.0047 657 HIS 89 CA -0.0005 -0.0018 0.0054 658 HIS 89 C -0.0008 -0.0018 0.0054 659 HIS 89 O -0.0011 -0.0023 0.0062 660 HIS 89 CB -0.0018 -0.0018 0.0055 661 HIS 89 CG -0.0017 -0.0021 0.0058 662 HIS 89 ND1 -0.0009 -0.0027 0.0067 663 HIS 89 CD2 -0.0021 -0.0017 0.0053 664 HIS 89 CE1 -0.0006 -0.0028 0.0069 665 HIS 89 NE2 -0.0015 -0.0022 0.0060 666 LYS 90 N -0.0006 -0.0012 0.0044 667 LYS 90 CA -0.0006 -0.0010 0.0041 668 LYS 90 C 0.0004 -0.0008 0.0039 669 LYS 90 O 0.0009 -0.0012 0.0044 670 LYS 90 CB -0.0018 -0.0003 0.0031 671 LYS 90 CG -0.0033 -0.0006 0.0036 672 LYS 90 CD -0.0039 -0.0011 0.0045 673 LYS 90 CE -0.0056 -0.0007 0.0040 674 LYS 90 NZ -0.0056 -0.0021 0.0062 675 LEU 91 N 0.0020 -0.0016 0.0003 676 LEU 91 CA 0.0028 -0.0012 0.0003 677 LEU 91 C 0.0032 -0.0020 0.0002 678 LEU 91 O 0.0041 -0.0022 0.0002 679 LEU 91 CB 0.0027 -0.0001 0.0005 680 LEU 91 CG 0.0025 0.0007 0.0007 681 LEU 91 CD1 0.0023 0.0017 0.0008 682 LEU 91 CD2 0.0033 0.0007 0.0007 683 ARG 92 N 0.0024 -0.0022 0.0002 684 ARG 92 CA 0.0025 -0.0030 0.0000 685 ARG 92 C 0.0032 -0.0028 0.0001 686 ARG 92 O 0.0040 -0.0034 -0.0000 687 ARG 92 CB 0.0027 -0.0041 -0.0001 688 ARG 92 CG 0.0018 -0.0045 -0.0002 689 ARG 92 CD 0.0023 -0.0051 -0.0003 690 ARG 92 NE 0.0017 -0.0055 -0.0004 691 ARG 92 CZ 0.0023 -0.0064 -0.0005 692 ARG 92 NH1 0.0030 -0.0056 -0.0004 693 ARG 92 NH2 0.0021 -0.0070 -0.0006 694 VAL 93 N 0.0033 -0.0019 0.0002 695 VAL 93 CA 0.0039 -0.0015 0.0003 696 VAL 93 C 0.0037 -0.0019 0.0002 697 VAL 93 O 0.0027 -0.0019 0.0002 698 VAL 93 CB 0.0038 -0.0003 0.0005 699 VAL 93 CG1 0.0044 0.0001 0.0006 700 VAL 93 CG2 0.0041 0.0002 0.0006 701 ASP 94 N 0.0040 -0.0002 -0.0008 702 ASP 94 CA 0.0044 -0.0003 -0.0006 703 ASP 94 C 0.0048 -0.0010 -0.0008 704 ASP 94 O 0.0046 -0.0014 -0.0012 705 ASP 94 CB 0.0040 -0.0003 -0.0009 706 ASP 94 CG 0.0044 -0.0004 -0.0006 707 ASP 94 OD1 0.0044 0.0001 -0.0003 708 ASP 94 OD2 0.0047 -0.0009 -0.0007 709 PRO 95 N 0.0053 -0.0012 -0.0004 710 PRO 95 CA 0.0057 -0.0018 -0.0005 711 PRO 95 C 0.0056 -0.0022 -0.0009 712 PRO 95 O 0.0058 -0.0028 -0.0011 713 PRO 95 CB 0.0063 -0.0018 -0.0000 714 PRO 95 CG 0.0063 -0.0012 0.0004 715 PRO 95 CD 0.0056 -0.0008 0.0001 716 VAL 96 N 0.0052 -0.0022 -0.0011 717 VAL 96 CA 0.0051 -0.0027 -0.0016 718 VAL 96 C 0.0049 -0.0030 -0.0020 719 VAL 96 O 0.0049 -0.0035 -0.0024 720 VAL 96 CB 0.0048 -0.0024 -0.0017 721 VAL 96 CG1 0.0043 -0.0021 -0.0019 722 VAL 96 CG2 0.0048 -0.0028 -0.0019 723 ASN 97 N 0.0034 -0.0044 -0.0028 724 ASN 97 CA 0.0036 -0.0040 -0.0028 725 ASN 97 C 0.0036 -0.0041 -0.0015 726 ASN 97 O 0.0036 -0.0042 -0.0015 727 ASN 97 CB 0.0042 -0.0029 -0.0030 728 ASN 97 CG 0.0042 -0.0028 -0.0043 729 ASN 97 OD1 0.0042 -0.0028 -0.0050 730 ASN 97 ND2 0.0044 -0.0025 -0.0044 731 PHE 98 N 0.0035 -0.0044 -0.0007 732 PHE 98 CA 0.0035 -0.0046 0.0005 733 PHE 98 C 0.0029 -0.0056 0.0005 734 PHE 98 O 0.0029 -0.0056 0.0011 735 PHE 98 CB 0.0035 -0.0046 0.0015 736 PHE 98 CG 0.0040 -0.0036 0.0016 737 PHE 98 CD1 0.0044 -0.0031 0.0025 738 PHE 98 CD2 0.0042 -0.0032 0.0009 739 PHE 98 CE1 0.0048 -0.0023 0.0027 740 PHE 98 CE2 0.0048 -0.0022 0.0011 741 PHE 98 CZ 0.0050 -0.0018 0.0019 742 LYS 99 N 0.0025 -0.0063 -0.0001 743 LYS 99 CA 0.0020 -0.0072 -0.0003 744 LYS 99 C 0.0020 -0.0071 -0.0009 745 LYS 99 O 0.0018 -0.0075 -0.0004 746 LYS 99 CB 0.0015 -0.0080 -0.0008 747 LYS 99 CG 0.0015 -0.0082 -0.0006 748 LYS 99 CD 0.0011 -0.0088 -0.0007 749 LYS 99 CE 0.0010 -0.0089 -0.0021 750 LYS 99 NZ 0.0005 -0.0099 -0.0014 751 LEU 100 N 0.0003 -0.0081 -0.0001 752 LEU 100 CA 0.0007 -0.0074 -0.0017 753 LEU 100 C 0.0007 -0.0059 -0.0011 754 LEU 100 O 0.0008 -0.0061 -0.0018 755 LEU 100 CB 0.0011 -0.0068 -0.0032 756 LEU 100 CG 0.0011 -0.0081 -0.0036 757 LEU 100 CD1 0.0016 -0.0072 -0.0053 758 LEU 100 CD2 0.0013 -0.0097 -0.0049 759 LEU 101 N 0.0005 -0.0045 0.0001 760 LEU 101 CA 0.0004 -0.0031 0.0007 761 LEU 101 C 0.0000 -0.0040 0.0020 762 LEU 101 O 0.0001 -0.0037 0.0018 763 LEU 101 CB 0.0003 -0.0017 0.0019 764 LEU 101 CG 0.0002 -0.0001 0.0027 765 LEU 101 CD1 0.0006 0.0009 0.0014 766 LEU 101 CD2 -0.0000 0.0014 0.0040 767 SER 102 N -0.0004 -0.0056 0.0032 768 SER 102 CA -0.0007 -0.0066 0.0043 769 SER 102 C -0.0005 -0.0076 0.0029 770 SER 102 O -0.0006 -0.0075 0.0034 771 SER 102 CB -0.0011 -0.0082 0.0053 772 SER 102 OG -0.0014 -0.0073 0.0069 773 HIS 103 N -0.0012 -0.0073 0.0028 774 HIS 103 CA -0.0008 -0.0079 0.0017 775 HIS 103 C -0.0004 -0.0065 0.0015 776 HIS 103 O -0.0004 -0.0063 0.0015 777 HIS 103 CB -0.0005 -0.0090 0.0003 778 HIS 103 CG -0.0001 -0.0095 -0.0008 779 HIS 103 ND1 0.0007 -0.0089 -0.0023 780 HIS 103 CD2 -0.0005 -0.0104 -0.0005 781 HIS 103 CE1 0.0007 -0.0096 -0.0027 782 HIS 103 NE2 0.0001 -0.0105 -0.0018 783 CYS 104 N 0.0002 -0.0051 0.0009 784 CYS 104 CA 0.0008 -0.0035 0.0004 785 CYS 104 C 0.0004 -0.0026 0.0019 786 CYS 104 O 0.0007 -0.0019 0.0016 787 CYS 104 CB 0.0014 -0.0026 -0.0005 788 CYS 104 SG 0.0020 -0.0035 -0.0024 789 LEU 105 N -0.0002 -0.0026 0.0032 790 LEU 105 CA -0.0006 -0.0017 0.0045 791 LEU 105 C -0.0011 -0.0028 0.0050 792 LEU 105 O -0.0010 -0.0020 0.0052 793 LEU 105 CB -0.0011 -0.0015 0.0058 794 LEU 105 CG -0.0010 -0.0001 0.0063 795 LEU 105 CD1 -0.0016 -0.0003 0.0074 796 LEU 105 CD2 -0.0008 0.0013 0.0065 797 LEU 106 N 0.0004 -0.0045 0.0043 798 LEU 106 CA 0.0001 -0.0047 0.0045 799 LEU 106 C 0.0004 -0.0045 0.0043 800 LEU 106 O 0.0003 -0.0041 0.0047 801 LEU 106 CB -0.0003 -0.0055 0.0043 802 LEU 106 CG -0.0008 -0.0058 0.0046 803 LEU 106 CD1 -0.0011 -0.0065 0.0043 804 LEU 106 CD2 -0.0013 -0.0055 0.0053 805 VAL 107 N 0.0010 -0.0045 0.0037 806 VAL 107 CA 0.0014 -0.0042 0.0035 807 VAL 107 C 0.0016 -0.0035 0.0038 808 VAL 107 O 0.0017 -0.0032 0.0040 809 VAL 107 CB 0.0020 -0.0044 0.0028 810 VAL 107 CG1 0.0024 -0.0041 0.0026 811 VAL 107 CG2 0.0017 -0.0053 0.0024 812 THR 108 N 0.0017 -0.0031 0.0040 813 THR 108 CA 0.0020 -0.0023 0.0043 814 THR 108 C 0.0015 -0.0021 0.0049 815 THR 108 O 0.0017 -0.0016 0.0051 816 THR 108 CB 0.0022 -0.0021 0.0043 817 THR 108 OG1 0.0027 -0.0022 0.0037 818 THR 108 CG2 0.0025 -0.0013 0.0046 819 LEU 109 N 0.0015 -0.0026 0.0073 820 LEU 109 CA 0.0011 -0.0018 0.0068 821 LEU 109 C 0.0021 -0.0011 0.0065 822 LEU 109 O 0.0020 -0.0002 0.0060 823 LEU 109 CB 0.0004 -0.0022 0.0070 824 LEU 109 CG -0.0009 -0.0027 0.0070 825 LEU 109 CD1 -0.0013 -0.0033 0.0073 826 LEU 109 CD2 -0.0013 -0.0024 0.0068 827 ALA 110 N 0.0029 -0.0016 0.0069 828 ALA 110 CA 0.0037 -0.0010 0.0067 829 ALA 110 C 0.0043 -0.0003 0.0064 830 ALA 110 O 0.0047 0.0006 0.0060 831 ALA 110 CB 0.0046 -0.0017 0.0072 832 ALA 111 N 0.0045 -0.0005 0.0065 833 ALA 111 CA 0.0050 -0.0001 0.0064 834 ALA 111 C 0.0043 0.0009 0.0057 835 ALA 111 O 0.0048 0.0014 0.0055 836 ALA 111 CB 0.0053 -0.0006 0.0067 837 HIS 112 N 0.0039 0.0018 0.0094 838 HIS 112 CA 0.0030 0.0021 0.0083 839 HIS 112 C 0.0032 0.0027 0.0073 840 HIS 112 O 0.0026 0.0030 0.0063 841 HIS 112 CB 0.0016 0.0013 0.0085 842 HIS 112 CG 0.0013 0.0009 0.0091 843 HIS 112 ND1 0.0008 0.0011 0.0083 844 HIS 112 CD2 0.0012 0.0002 0.0103 845 HIS 112 CE1 0.0006 0.0004 0.0094 846 HIS 112 NE2 0.0010 -0.0001 0.0106 847 LEU 113 N 0.0039 0.0029 0.0076 848 LEU 113 CA 0.0038 0.0034 0.0066 849 LEU 113 C 0.0051 0.0040 0.0065 850 LEU 113 O 0.0056 0.0041 0.0067 851 LEU 113 CB 0.0035 0.0031 0.0069 852 LEU 113 CG 0.0020 0.0024 0.0068 853 LEU 113 CD1 0.0013 0.0021 0.0069 854 LEU 113 CD2 0.0011 0.0026 0.0059 855 PRO 114 N 0.0059 0.0045 0.0063 856 PRO 114 CA 0.0074 0.0051 0.0064 857 PRO 114 C 0.0075 0.0057 0.0054 858 PRO 114 O 0.0081 0.0058 0.0058 859 PRO 114 CB 0.0074 0.0055 0.0057 860 PRO 114 CG 0.0063 0.0053 0.0051 861 PRO 114 CD 0.0054 0.0045 0.0058 862 ALA 115 N 0.0071 0.0077 0.0069 863 ALA 115 CA 0.0057 0.0084 0.0070 864 ALA 115 C 0.0046 0.0074 0.0065 865 ALA 115 O 0.0037 0.0074 0.0064 866 ALA 115 CB 0.0055 0.0094 0.0074 867 GLU 116 N 0.0046 0.0066 0.0061 868 GLU 116 CA 0.0034 0.0057 0.0057 869 GLU 116 C 0.0035 0.0044 0.0052 870 GLU 116 O 0.0024 0.0037 0.0048 871 GLU 116 CB 0.0035 0.0054 0.0056 872 GLU 116 CG 0.0031 0.0065 0.0059 873 GLU 116 CD 0.0044 0.0072 0.0064 874 GLU 116 OE1 0.0057 0.0070 0.0064 875 GLU 116 OE2 0.0042 0.0083 0.0068 876 PHE 117 N 0.0046 0.0040 0.0051 877 PHE 117 CA 0.0049 0.0029 0.0047 878 PHE 117 C 0.0044 0.0028 0.0046 879 PHE 117 O 0.0052 0.0024 0.0045 880 PHE 117 CB 0.0064 0.0023 0.0046 881 PHE 117 CG 0.0067 0.0008 0.0040 882 PHE 117 CD1 0.0062 0.0000 0.0037 883 PHE 117 CD2 0.0073 0.0004 0.0039 884 PHE 117 CE1 0.0065 -0.0013 0.0032 885 PHE 117 CE2 0.0074 -0.0011 0.0033 886 PHE 117 CZ 0.0070 -0.0017 0.0030 887 THR 118 N 0.0055 0.0035 0.0045 888 THR 118 CA 0.0036 0.0038 0.0043 889 THR 118 C 0.0033 0.0023 0.0025 890 THR 118 O 0.0037 0.0012 0.0014 891 THR 118 CB 0.0017 0.0045 0.0047 892 THR 118 OG1 0.0008 0.0039 0.0038 893 THR 118 CG2 0.0018 0.0063 0.0068 894 PRO 119 N 0.0016 0.0022 0.0021 895 PRO 119 CA 0.0009 0.0008 0.0002 896 PRO 119 C 0.0000 -0.0000 -0.0009 897 PRO 119 O 0.0004 -0.0014 -0.0025 898 PRO 119 CB -0.0008 0.0012 0.0003 899 PRO 119 CG 0.0001 0.0025 0.0019 900 PRO 119 CD 0.0011 0.0034 0.0033 901 ALA 120 N -0.0015 0.0009 -0.0003 902 ALA 120 CA -0.0026 0.0004 -0.0011 903 ALA 120 C -0.0009 -0.0003 -0.0015 904 ALA 120 O -0.0009 -0.0016 -0.0030 905 ALA 120 CB -0.0048 0.0013 -0.0006 906 VAL 121 N 0.0010 -0.0007 -0.0004 907 VAL 121 CA 0.0016 -0.0010 -0.0005 908 VAL 121 C 0.0024 -0.0019 -0.0009 909 VAL 121 O 0.0025 -0.0025 -0.0013 910 VAL 121 CB 0.0022 -0.0003 0.0002 911 VAL 121 CG1 0.0030 -0.0006 0.0002 912 VAL 121 CG2 0.0014 0.0004 0.0006 913 HIS 122 N 0.0029 -0.0019 -0.0008 914 HIS 122 CA 0.0037 -0.0027 -0.0012 915 HIS 122 C 0.0030 -0.0034 -0.0019 916 HIS 122 O 0.0035 -0.0042 -0.0023 917 HIS 122 CB 0.0041 -0.0023 -0.0008 918 HIS 122 CG 0.0047 -0.0030 -0.0012 919 HIS 122 ND1 0.0053 -0.0027 -0.0009 920 HIS 122 CD2 0.0051 -0.0039 -0.0017 921 HIS 122 CE1 0.0060 -0.0036 -0.0013 922 HIS 122 NE2 0.0059 -0.0043 -0.0018 923 ALA 123 N 0.0021 -0.0034 -0.0020 924 ALA 123 CA 0.0015 -0.0040 -0.0027 925 ALA 123 C 0.0012 -0.0044 -0.0030 926 ALA 123 O 0.0013 -0.0053 -0.0036 927 ALA 123 CB 0.0004 -0.0038 -0.0028 928 SER 124 N 0.0017 -0.0043 -0.0018 929 SER 124 CA 0.0017 -0.0044 -0.0020 930 SER 124 C 0.0018 -0.0047 -0.0020 931 SER 124 O 0.0018 -0.0048 -0.0021 932 SER 124 CB 0.0018 -0.0045 -0.0022 933 SER 124 OG 0.0018 -0.0043 -0.0023 934 LEU 125 N 0.0017 -0.0048 -0.0018 935 LEU 125 CA 0.0017 -0.0050 -0.0017 936 LEU 125 C 0.0017 -0.0050 -0.0016 937 LEU 125 O 0.0017 -0.0052 -0.0016 938 LEU 125 CB 0.0017 -0.0051 -0.0015 939 LEU 125 CG 0.0017 -0.0052 -0.0015 940 LEU 125 CD1 0.0017 -0.0053 -0.0013 941 LEU 125 CD2 0.0017 -0.0055 -0.0017 942 ASP 126 N 0.0017 -0.0048 -0.0015 943 ASP 126 CA 0.0017 -0.0048 -0.0014 944 ASP 126 C 0.0017 -0.0048 -0.0016 945 ASP 126 O 0.0017 -0.0049 -0.0016 946 ASP 126 CB 0.0017 -0.0045 -0.0012 947 ASP 126 CG 0.0016 -0.0045 -0.0011 948 ASP 126 OD1 0.0016 -0.0047 -0.0010 949 ASP 126 OD2 0.0016 -0.0043 -0.0011 950 LYS 127 N 0.0030 -0.0053 0.0003 951 LYS 127 CA 0.0027 -0.0055 0.0009 952 LYS 127 C 0.0015 -0.0054 0.0008 953 LYS 127 O 0.0011 -0.0057 0.0017 954 LYS 127 CB 0.0035 -0.0054 0.0007 955 LYS 127 CG 0.0033 -0.0055 0.0009 956 LYS 127 CD 0.0046 -0.0055 0.0007 957 LYS 127 CE 0.0040 -0.0056 0.0010 958 LYS 127 NZ 0.0046 -0.0055 0.0008 959 PHE 128 N 0.0011 -0.0051 0.0001 960 PHE 128 CA -0.0000 -0.0050 0.0000 961 PHE 128 C -0.0005 -0.0052 0.0006 962 PHE 128 O -0.0013 -0.0054 0.0011 963 PHE 128 CB -0.0003 -0.0046 -0.0010 964 PHE 128 CG -0.0015 -0.0045 -0.0011 965 PHE 128 CD1 -0.0022 -0.0046 -0.0009 966 PHE 128 CD2 -0.0018 -0.0044 -0.0015 967 PHE 128 CE1 -0.0032 -0.0045 -0.0010 968 PHE 128 CE2 -0.0028 -0.0042 -0.0018 969 PHE 128 CZ -0.0034 -0.0043 -0.0015 970 LEU 129 N -0.0001 -0.0052 0.0005 971 LEU 129 CA -0.0006 -0.0054 0.0011 972 LEU 129 C -0.0004 -0.0058 0.0020 973 LEU 129 O -0.0011 -0.0060 0.0026 974 LEU 129 CB -0.0002 -0.0053 0.0007 975 LEU 129 CG -0.0004 -0.0048 -0.0004 976 LEU 129 CD1 0.0001 -0.0047 -0.0008 977 LEU 129 CD2 -0.0018 -0.0048 -0.0004 978 ALA 130 N 0.0010 -0.0056 -0.0000 979 ALA 130 CA 0.0011 -0.0056 0.0002 980 ALA 130 C 0.0013 -0.0052 0.0011 981 ALA 130 O 0.0012 -0.0047 0.0013 982 ALA 130 CB 0.0012 -0.0065 0.0002 983 SER 131 N 0.0014 -0.0054 0.0016 984 SER 131 CA 0.0016 -0.0050 0.0024 985 SER 131 C 0.0014 -0.0040 0.0024 986 SER 131 O 0.0015 -0.0036 0.0029 987 SER 131 CB 0.0018 -0.0054 0.0030 988 SER 131 OG 0.0019 -0.0061 0.0030 989 VAL 132 N 0.0013 -0.0039 0.0019 990 VAL 132 CA 0.0011 -0.0030 0.0019 991 VAL 132 C 0.0010 -0.0026 0.0015 992 VAL 132 O 0.0010 -0.0019 0.0020 993 VAL 132 CB 0.0010 -0.0029 0.0014 994 VAL 132 CG1 0.0008 -0.0020 0.0011 995 VAL 132 CG2 0.0011 -0.0031 0.0017 996 SER 133 N 0.0029 -0.0032 0.0010 997 SER 133 CA 0.0027 -0.0027 0.0009 998 SER 133 C 0.0030 -0.0025 0.0015 999 SER 133 O 0.0028 -0.0018 0.0016 1000 SER 133 CB 0.0025 -0.0031 0.0004 1001 SER 133 OG 0.0021 -0.0033 -0.0002 1002 THR 134 N 0.0034 -0.0028 0.0019 1003 THR 134 CA 0.0037 -0.0025 0.0024 1004 THR 134 C 0.0038 -0.0021 0.0028 1005 THR 134 O 0.0039 -0.0016 0.0032 1006 THR 134 CB 0.0041 -0.0032 0.0026 1007 THR 134 OG1 0.0041 -0.0036 0.0024 1008 THR 134 CG2 0.0046 -0.0030 0.0033 1009 VAL 135 N 0.0039 -0.0022 0.0030 1010 VAL 135 CA 0.0041 -0.0017 0.0034 1011 VAL 135 C 0.0036 -0.0011 0.0031 1012 VAL 135 O 0.0036 -0.0005 0.0035 1013 VAL 135 CB 0.0042 -0.0021 0.0034 1014 VAL 135 CG1 0.0042 -0.0015 0.0037 1015 VAL 135 CG2 0.0047 -0.0027 0.0037 1016 LEU 136 N 0.0040 -0.0013 0.0024 1017 LEU 136 CA 0.0034 -0.0004 0.0021 1018 LEU 136 C 0.0033 -0.0003 0.0027 1019 LEU 136 O 0.0027 0.0006 0.0026 1020 LEU 136 CB 0.0031 -0.0002 0.0007 1021 LEU 136 CG 0.0028 0.0003 0.0002 1022 LEU 136 CD1 0.0028 0.0002 -0.0011 1023 LEU 136 CD2 0.0024 0.0010 0.0010 1024 THR 137 N 0.0039 -0.0011 0.0028 1025 THR 137 CA 0.0040 -0.0012 0.0032 1026 THR 137 C 0.0042 -0.0013 0.0045 1027 THR 137 O 0.0042 -0.0014 0.0050 1028 THR 137 CB 0.0048 -0.0025 0.0025 1029 THR 137 OG1 0.0042 -0.0017 0.0013 1030 THR 137 CG2 0.0051 -0.0029 0.0023 1031 SER 138 N 0.0042 -0.0013 0.0052 1032 SER 138 CA 0.0045 -0.0016 0.0064 1033 SER 138 C 0.0041 -0.0009 0.0075 1034 SER 138 O 0.0044 -0.0013 0.0082 1035 SER 138 CB 0.0043 -0.0013 0.0070 1036 SER 138 OG 0.0049 -0.0022 0.0069 1037 LYS 139 N 0.0045 0.0005 0.0053 1038 LYS 139 CA 0.0052 0.0013 0.0051 1039 LYS 139 C 0.0049 0.0018 0.0041 1040 LYS 139 O 0.0053 0.0025 0.0039 1041 LYS 139 CB 0.0060 0.0016 0.0057 1042 LYS 139 CG 0.0062 0.0012 0.0066 1043 LYS 139 CD 0.0069 0.0013 0.0072 1044 LYS 139 CE 0.0073 0.0010 0.0080 1045 LYS 139 NZ 0.0080 0.0013 0.0086 1046 TYR 140 N 0.0042 0.0015 0.0036 1047 TYR 140 CA 0.0039 0.0019 0.0027 1048 TYR 140 C 0.0039 0.0025 0.0021 1049 TYR 140 O 0.0041 0.0032 0.0015 1050 TYR 140 CB 0.0030 0.0015 0.0022 1051 TYR 140 CG 0.0030 0.0013 0.0024 1052 TYR 140 CD1 0.0024 0.0013 0.0016 1053 TYR 140 CD2 0.0033 0.0011 0.0031 1054 TYR 140 CE1 0.0023 0.0012 0.0018 1055 TYR 140 CE2 0.0032 0.0009 0.0032 1056 TYR 140 CZ 0.0026 0.0010 0.0024 1057 TYR 140 OH 0.0026 0.0008 0.0026 1058 ARG 141 N 0.0039 0.0023 0.0023 1059 ARG 141 CA 0.0039 0.0027 0.0018 1060 ARG 141 C 0.0043 0.0025 0.0025 1061 ARG 141 O 0.0041 0.0019 0.0031 1062 ARG 141 CB 0.0033 0.0028 0.0010 1063 ARG 141 CG 0.0024 0.0018 0.0012 1064 ARG 141 CD 0.0018 0.0020 0.0002 1065 ARG 141 NE 0.0012 0.0012 0.0004 1066 ARG 141 CZ 0.0005 0.0011 -0.0003 1067 ARG 141 NH1 0.0003 0.0016 -0.0012 1068 ARG 141 NH2 -0.0000 0.0003 -0.0000 1069 ARG 141 OXT 0.0044 0.0030 0.0021 1070 VAL 1 N -0.0138 0.0063 0.0014 1071 VAL 1 CA -0.0155 -0.0057 -0.0023 1072 VAL 1 C -0.0123 -0.0142 0.0067 1073 VAL 1 O -0.0084 -0.0098 0.0168 1074 VAL 1 CB -0.0198 -0.0066 -0.0137 1075 VAL 1 CG1 -0.0226 -0.0138 -0.0204 1076 VAL 1 CG2 -0.0200 -0.0010 -0.0146 1077 HIS 2 N -0.0136 -0.0190 0.0038 1078 HIS 2 CA -0.0113 -0.0235 0.0103 1079 HIS 2 C -0.0135 -0.0280 0.0047 1080 HIS 2 O -0.0164 -0.0352 -0.0024 1081 HIS 2 CB -0.0128 -0.0379 0.0074 1082 HIS 2 CG -0.0124 -0.0434 0.0089 1083 HIS 2 ND1 -0.0159 -0.0519 0.0002 1084 HIS 2 CD2 -0.0071 -0.0448 0.0228 1085 HIS 2 CE1 -0.0116 -0.0580 0.0121 1086 HIS 2 NE2 -0.0076 -0.0537 0.0223 1087 LEU 3 N -0.0121 -0.0226 0.0080 1088 LEU 3 CA -0.0130 -0.0259 0.0059 1089 LEU 3 C -0.0095 -0.0281 0.0153 1090 LEU 3 O -0.0065 -0.0259 0.0230 1091 LEU 3 CB -0.0135 -0.0133 0.0036 1092 LEU 3 CG -0.0171 -0.0090 -0.0061 1093 LEU 3 CD1 -0.0171 -0.0001 -0.0070 1094 LEU 3 CD2 -0.0197 -0.0139 -0.0126 1095 THR 4 N -0.0170 -0.0333 0.0145 1096 THR 4 CA -0.0072 -0.0246 0.0077 1097 THR 4 C -0.0009 -0.0179 0.0029 1098 THR 4 O -0.0054 -0.0143 0.0033 1099 THR 4 CB -0.0175 -0.0189 0.0094 1100 THR 4 OG1 -0.0257 -0.0081 0.0086 1101 THR 4 CG2 -0.0265 -0.0242 0.0147 1102 PRO 5 N 0.0076 -0.0093 -0.0034 1103 PRO 5 CA 0.0157 -0.0038 -0.0083 1104 PRO 5 C 0.0060 0.0086 -0.0093 1105 PRO 5 O 0.0087 0.0126 -0.0118 1106 PRO 5 CB 0.0267 0.0022 -0.0146 1107 PRO 5 CG 0.0268 -0.0073 -0.0112 1108 PRO 5 CD 0.0179 -0.0155 -0.0049 1109 GLU 6 N -0.0029 0.0118 -0.0072 1110 GLU 6 CA -0.0097 0.0237 -0.0089 1111 GLU 6 C -0.0199 0.0196 -0.0037 1112 GLU 6 O -0.0236 0.0300 -0.0061 1113 GLU 6 CB -0.0210 0.0284 -0.0065 1114 GLU 6 CG -0.0256 0.0244 -0.0033 1115 GLU 6 CD -0.0138 0.0148 -0.0042 1116 GLU 6 OE1 -0.0001 0.0208 -0.0115 1117 GLU 6 OE2 -0.0110 0.0059 -0.0020 1118 GLU 7 N -0.0139 0.0035 -0.0001 1119 GLU 7 CA -0.0181 0.0011 0.0008 1120 GLU 7 C -0.0155 0.0028 0.0002 1121 GLU 7 O -0.0185 0.0049 0.0002 1122 GLU 7 CB -0.0194 -0.0021 0.0015 1123 GLU 7 CG -0.0234 -0.0032 0.0021 1124 GLU 7 CD -0.0251 -0.0079 0.0031 1125 GLU 7 OE1 -0.0296 -0.0082 0.0036 1126 GLU 7 OE2 -0.0223 -0.0121 0.0035 1127 LYS 8 N -0.0117 0.0006 0.0002 1128 LYS 8 CA -0.0096 0.0012 -0.0002 1129 LYS 8 C -0.0090 0.0064 -0.0011 1130 LYS 8 O -0.0100 0.0090 -0.0014 1131 LYS 8 CB -0.0040 -0.0021 -0.0002 1132 LYS 8 CG -0.0024 -0.0009 -0.0006 1133 LYS 8 CD 0.0034 -0.0020 -0.0010 1134 LYS 8 CE 0.0055 0.0001 -0.0016 1135 LYS 8 NZ 0.0138 0.0002 -0.0025 1136 SER 9 N -0.0071 0.0098 -0.0019 1137 SER 9 CA -0.0064 0.0137 -0.0026 1138 SER 9 C -0.0117 0.0180 -0.0028 1139 SER 9 O -0.0119 0.0209 -0.0033 1140 SER 9 CB -0.0019 0.0169 -0.0037 1141 SER 9 OG -0.0064 0.0190 -0.0035 1142 ALA 10 N -0.0093 0.0062 0.0049 1143 ALA 10 CA -0.0093 0.0061 0.0051 1144 ALA 10 C -0.0102 0.0066 0.0047 1145 ALA 10 O -0.0105 0.0067 0.0051 1146 ALA 10 CB -0.0087 0.0059 0.0044 1147 VAL 11 N -0.0106 0.0067 0.0039 1148 VAL 11 CA -0.0115 0.0071 0.0036 1149 VAL 11 C -0.0121 0.0074 0.0044 1150 VAL 11 O -0.0125 0.0076 0.0045 1151 VAL 11 CB -0.0116 0.0072 0.0028 1152 VAL 11 CG1 -0.0125 0.0076 0.0025 1153 VAL 11 CG2 -0.0111 0.0069 0.0019 1154 THR 12 N -0.0121 0.0074 0.0047 1155 THR 12 CA -0.0128 0.0077 0.0054 1156 THR 12 C -0.0127 0.0077 0.0063 1157 THR 12 O -0.0132 0.0079 0.0067 1158 THR 12 CB -0.0127 0.0077 0.0058 1159 THR 12 OG1 -0.0129 0.0078 0.0050 1160 THR 12 CG2 -0.0126 0.0076 0.0061 1161 ALA 13 N -0.0143 0.0043 0.0127 1162 ALA 13 CA -0.0138 0.0015 0.0116 1163 ALA 13 C -0.0112 0.0006 0.0100 1164 ALA 13 O -0.0103 -0.0004 0.0092 1165 ALA 13 CB -0.0151 -0.0009 0.0116 1166 LEU 14 N -0.0091 0.0016 0.0091 1167 LEU 14 CA -0.0062 0.0015 0.0075 1168 LEU 14 C -0.0052 0.0030 0.0074 1169 LEU 14 O -0.0033 0.0024 0.0063 1170 LEU 14 CB -0.0047 0.0024 0.0070 1171 LEU 14 CG -0.0020 0.0015 0.0053 1172 LEU 14 CD1 -0.0019 -0.0014 0.0044 1173 LEU 14 CD2 -0.0002 0.0038 0.0050 1174 TRP 15 N -0.0059 0.0060 0.0087 1175 TRP 15 CA -0.0047 0.0079 0.0086 1176 TRP 15 C -0.0054 0.0064 0.0086 1177 TRP 15 O -0.0035 0.0072 0.0078 1178 TRP 15 CB -0.0055 0.0108 0.0099 1179 TRP 15 CG -0.0036 0.0131 0.0097 1180 TRP 15 CD1 -0.0041 0.0143 0.0103 1181 TRP 15 CD2 -0.0011 0.0145 0.0087 1182 TRP 15 NE1 -0.0022 0.0164 0.0099 1183 TRP 15 CE2 0.0002 0.0165 0.0086 1184 TRP 15 CE3 0.0007 0.0141 0.0076 1185 TRP 15 CZ2 0.0028 0.0182 0.0077 1186 TRP 15 CZ3 0.0034 0.0159 0.0067 1187 TRP 15 CH2 0.0041 0.0179 0.0069 1188 GLY 16 N -0.0128 0.0077 0.0181 1189 GLY 16 CA -0.0142 0.0048 0.0182 1190 GLY 16 C -0.0111 0.0018 0.0158 1191 GLY 16 O -0.0112 0.0004 0.0156 1192 LYS 17 N -0.0082 0.0005 0.0140 1193 LYS 17 CA -0.0051 -0.0026 0.0116 1194 LYS 17 C -0.0010 0.0000 0.0100 1195 LYS 17 O 0.0025 -0.0024 0.0075 1196 LYS 17 CB -0.0036 -0.0060 0.0101 1197 LYS 17 CG -0.0085 -0.0089 0.0121 1198 LYS 17 CD -0.0081 -0.0124 0.0110 1199 LYS 17 CE -0.0127 -0.0154 0.0129 1200 LYS 17 NZ -0.0097 -0.0190 0.0104 1201 VAL 18 N 0.0003 0.0047 0.0103 1202 VAL 18 CA 0.0044 0.0078 0.0088 1203 VAL 18 C 0.0052 0.0089 0.0086 1204 VAL 18 O 0.0027 0.0107 0.0104 1205 VAL 18 CB 0.0039 0.0128 0.0102 1206 VAL 18 CG1 0.0078 0.0160 0.0088 1207 VAL 18 CG2 0.0051 0.0108 0.0091 1208 ASN 19 N 0.0165 0.0183 0.0049 1209 ASN 19 CA 0.0174 0.0200 0.0047 1210 ASN 19 C 0.0170 0.0186 0.0051 1211 ASN 19 O 0.0152 0.0180 0.0042 1212 ASN 19 CB 0.0161 0.0218 0.0030 1213 ASN 19 CG 0.0167 0.0230 0.0028 1214 ASN 19 OD1 0.0177 0.0228 0.0035 1215 ASN 19 ND2 0.0164 0.0251 0.0015 1216 VAL 20 N 0.0186 0.0182 0.0063 1217 VAL 20 CA 0.0184 0.0165 0.0070 1218 VAL 20 C 0.0177 0.0172 0.0062 1219 VAL 20 O 0.0161 0.0162 0.0057 1220 VAL 20 CB 0.0206 0.0161 0.0086 1221 VAL 20 CG1 0.0203 0.0146 0.0092 1222 VAL 20 CG2 0.0211 0.0149 0.0096 1223 ASP 21 N 0.0178 0.0192 0.0053 1224 ASP 21 CA 0.0171 0.0201 0.0044 1225 ASP 21 C 0.0150 0.0201 0.0030 1226 ASP 21 O 0.0138 0.0192 0.0027 1227 ASP 21 CB 0.0182 0.0224 0.0041 1228 ASP 21 CG 0.0208 0.0229 0.0055 1229 ASP 21 OD1 0.0208 0.0212 0.0063 1230 ASP 21 OD2 0.0211 0.0251 0.0046 1231 GLU 22 N 0.0165 0.0213 0.0066 1232 GLU 22 CA 0.0132 0.0222 0.0061 1233 GLU 22 C 0.0123 0.0187 0.0052 1234 GLU 22 O 0.0095 0.0177 0.0045 1235 GLU 22 CB 0.0146 0.0248 0.0070 1236 GLU 22 CG 0.0124 0.0253 0.0066 1237 GLU 22 CD 0.0117 0.0270 0.0068 1238 GLU 22 OE1 0.0162 0.0269 0.0077 1239 GLU 22 OE2 0.0138 0.0315 0.0082 1240 VAL 23 N 0.0154 0.0172 0.0056 1241 VAL 23 CA 0.0151 0.0140 0.0048 1242 VAL 23 C 0.0138 0.0110 0.0040 1243 VAL 23 O 0.0117 0.0087 0.0031 1244 VAL 23 CB 0.0186 0.0128 0.0053 1245 VAL 23 CG1 0.0183 0.0093 0.0045 1246 VAL 23 CG2 0.0186 0.0160 0.0060 1247 GLY 24 N 0.0149 0.0109 0.0042 1248 GLY 24 CA 0.0137 0.0085 0.0034 1249 GLY 24 C 0.0099 0.0085 0.0027 1250 GLY 24 O 0.0078 0.0062 0.0018 1251 GLY 25 N 0.0060 0.0073 0.0021 1252 GLY 25 CA 0.0035 0.0081 0.0017 1253 GLY 25 C 0.0028 0.0071 0.0009 1254 GLY 25 O 0.0010 0.0063 -0.0003 1255 GLU 26 N 0.0044 0.0074 0.0016 1256 GLU 26 CA 0.0041 0.0068 0.0011 1257 GLU 26 C 0.0043 0.0040 -0.0005 1258 GLU 26 O 0.0027 0.0034 -0.0015 1259 GLU 26 CB 0.0059 0.0076 0.0023 1260 GLU 26 CG 0.0047 0.0080 0.0021 1261 GLU 26 CD 0.0036 0.0087 0.0021 1262 GLU 26 OE1 0.0083 0.0070 0.0028 1263 GLU 26 OE2 0.0075 0.0097 0.0042 1264 ALA 27 N 0.0062 0.0030 -0.0004 1265 ALA 27 CA 0.0065 0.0004 -0.0019 1266 ALA 27 C 0.0045 -0.0007 -0.0033 1267 ALA 27 O 0.0037 -0.0023 -0.0046 1268 ALA 27 CB 0.0090 -0.0004 -0.0015 1269 LEU 28 N 0.0038 -0.0021 -0.0019 1270 LEU 28 CA 0.0020 -0.0025 -0.0028 1271 LEU 28 C 0.0006 -0.0023 -0.0031 1272 LEU 28 O -0.0005 -0.0031 -0.0042 1273 LEU 28 CB 0.0015 -0.0023 -0.0027 1274 LEU 28 CG -0.0001 -0.0034 -0.0044 1275 LEU 28 CD1 0.0010 -0.0048 -0.0054 1276 LEU 28 CD2 -0.0007 -0.0025 -0.0037 1277 GLY 29 N 0.0001 -0.0008 -0.0018 1278 GLY 29 CA -0.0014 -0.0005 -0.0020 1279 GLY 29 C -0.0009 -0.0013 -0.0027 1280 GLY 29 O -0.0022 -0.0019 -0.0036 1281 ARG 30 N 0.0009 -0.0015 -0.0023 1282 ARG 30 CA 0.0012 -0.0023 -0.0029 1283 ARG 30 C 0.0013 -0.0040 -0.0046 1284 ARG 30 O 0.0006 -0.0046 -0.0053 1285 ARG 30 CB 0.0033 -0.0021 -0.0020 1286 ARG 30 CG 0.0032 -0.0008 -0.0007 1287 ARG 30 CD 0.0053 -0.0008 -0.0000 1288 ARG 30 NE 0.0054 0.0007 0.0014 1289 ARG 30 CZ 0.0054 0.0012 0.0019 1290 ARG 30 NH1 0.0055 0.0002 0.0010 1291 ARG 30 NH2 0.0054 0.0025 0.0031 1292 LEU 31 N 0.0015 -0.0064 -0.0057 1293 LEU 31 CA 0.0014 -0.0072 -0.0062 1294 LEU 31 C 0.0004 -0.0072 -0.0066 1295 LEU 31 O 0.0000 -0.0078 -0.0071 1296 LEU 31 CB 0.0020 -0.0075 -0.0061 1297 LEU 31 CG 0.0018 -0.0083 -0.0066 1298 LEU 31 CD1 0.0023 -0.0090 -0.0068 1299 LEU 31 CD2 0.0021 -0.0083 -0.0065 1300 LEU 32 N -0.0001 -0.0065 -0.0065 1301 LEU 32 CA -0.0009 -0.0065 -0.0069 1302 LEU 32 C -0.0016 -0.0064 -0.0071 1303 LEU 32 O -0.0024 -0.0066 -0.0076 1304 LEU 32 CB -0.0014 -0.0057 -0.0067 1305 LEU 32 CG -0.0011 -0.0060 -0.0067 1306 LEU 32 CD1 -0.0005 -0.0066 -0.0067 1307 LEU 32 CD2 -0.0012 -0.0052 -0.0063 1308 VAL 33 N -0.0014 -0.0060 -0.0068 1309 VAL 33 CA -0.0019 -0.0058 -0.0069 1310 VAL 33 C -0.0017 -0.0067 -0.0074 1311 VAL 33 O -0.0024 -0.0069 -0.0078 1312 VAL 33 CB -0.0017 -0.0050 -0.0064 1313 VAL 33 CG1 -0.0021 -0.0049 -0.0066 1314 VAL 33 CG2 -0.0020 -0.0043 -0.0062 1315 VAL 34 N 0.0009 -0.0072 -0.0082 1316 VAL 34 CA 0.0014 -0.0071 -0.0084 1317 VAL 34 C 0.0014 -0.0065 -0.0089 1318 VAL 34 O 0.0019 -0.0064 -0.0091 1319 VAL 34 CB 0.0012 -0.0073 -0.0082 1320 VAL 34 CG1 0.0017 -0.0072 -0.0084 1321 VAL 34 CG2 0.0012 -0.0078 -0.0078 1322 TYR 35 N 0.0009 -0.0062 -0.0089 1323 TYR 35 CA 0.0008 -0.0056 -0.0094 1324 TYR 35 C 0.0006 -0.0054 -0.0095 1325 TYR 35 O 0.0000 -0.0052 -0.0094 1326 TYR 35 CB 0.0004 -0.0054 -0.0094 1327 TYR 35 CG 0.0007 -0.0056 -0.0093 1328 TYR 35 CD1 0.0013 -0.0056 -0.0095 1329 TYR 35 CD2 0.0004 -0.0060 -0.0090 1330 TYR 35 CE1 0.0015 -0.0058 -0.0094 1331 TYR 35 CE2 0.0007 -0.0062 -0.0088 1332 TYR 35 CZ 0.0011 -0.0061 -0.0090 1333 TYR 35 OH 0.0014 -0.0065 -0.0089 1334 PRO 36 N 0.0009 -0.0055 -0.0095 1335 PRO 36 CA 0.0007 -0.0054 -0.0095 1336 PRO 36 C 0.0004 -0.0048 -0.0099 1337 PRO 36 O -0.0000 -0.0047 -0.0098 1338 PRO 36 CB 0.0012 -0.0055 -0.0095 1339 PRO 36 CG 0.0017 -0.0056 -0.0096 1340 PRO 36 CD 0.0015 -0.0056 -0.0095 1341 TRP 37 N 0.0019 -0.0028 -0.0112 1342 TRP 37 CA 0.0019 -0.0023 -0.0110 1343 TRP 37 C 0.0015 -0.0023 -0.0109 1344 TRP 37 O 0.0015 -0.0020 -0.0108 1345 TRP 37 CB 0.0018 -0.0019 -0.0108 1346 TRP 37 CG 0.0013 -0.0019 -0.0107 1347 TRP 37 CD1 0.0008 -0.0017 -0.0105 1348 TRP 37 CD2 0.0012 -0.0021 -0.0108 1349 TRP 37 NE1 0.0005 -0.0018 -0.0106 1350 TRP 37 CE2 0.0006 -0.0021 -0.0107 1351 TRP 37 CE3 0.0016 -0.0025 -0.0110 1352 TRP 37 CZ2 0.0004 -0.0022 -0.0108 1353 TRP 37 CZ3 0.0013 -0.0026 -0.0110 1354 TRP 37 CH2 0.0008 -0.0025 -0.0109 1355 THR 38 N 0.0011 -0.0026 -0.0110 1356 THR 38 CA 0.0006 -0.0027 -0.0110 1357 THR 38 C 0.0009 -0.0028 -0.0111 1358 THR 38 O 0.0007 -0.0029 -0.0111 1359 THR 38 CB 0.0001 -0.0031 -0.0111 1360 THR 38 OG1 0.0003 -0.0035 -0.0113 1361 THR 38 CG2 -0.0001 -0.0028 -0.0110 1362 GLN 39 N 0.0014 -0.0031 -0.0112 1363 GLN 39 CA 0.0018 -0.0032 -0.0114 1364 GLN 39 C 0.0020 -0.0028 -0.0112 1365 GLN 39 O 0.0021 -0.0029 -0.0113 1366 GLN 39 CB 0.0023 -0.0036 -0.0116 1367 GLN 39 CG 0.0021 -0.0040 -0.0118 1368 GLN 39 CD 0.0027 -0.0043 -0.0119 1369 GLN 39 OE1 0.0031 -0.0041 -0.0119 1370 GLN 39 NE2 0.0025 -0.0047 -0.0121 1371 ARG 40 N 0.0026 0.0011 -0.0135 1372 ARG 40 CA 0.0028 0.0041 -0.0133 1373 ARG 40 C 0.0028 0.0066 -0.0095 1374 ARG 40 O 0.0031 0.0099 -0.0104 1375 ARG 40 CB 0.0026 0.0022 -0.0129 1376 ARG 40 CG 0.0022 0.0012 -0.0092 1377 ARG 40 CD 0.0020 -0.0014 -0.0095 1378 ARG 40 NE 0.0023 0.0004 -0.0107 1379 ARG 40 CZ 0.0024 0.0033 -0.0088 1380 ARG 40 NH1 0.0021 0.0032 -0.0056 1381 ARG 40 NH2 0.0027 0.0041 -0.0118 1382 PHE 41 N 0.0025 0.0061 -0.0069 1383 PHE 41 CA 0.0024 0.0084 -0.0035 1384 PHE 41 C 0.0027 0.0112 -0.0039 1385 PHE 41 O 0.0027 0.0130 -0.0015 1386 PHE 41 CB 0.0019 0.0056 -0.0002 1387 PHE 41 CG 0.0017 0.0035 0.0003 1388 PHE 41 CD1 0.0014 -0.0003 -0.0008 1389 PHE 41 CD2 0.0017 0.0054 0.0019 1390 PHE 41 CE1 0.0011 -0.0023 0.0000 1391 PHE 41 CE2 0.0014 0.0027 0.0020 1392 PHE 41 CZ 0.0012 -0.0010 0.0009 1393 PHE 42 N 0.0028 0.0101 -0.0065 1394 PHE 42 CA 0.0029 0.0109 -0.0066 1395 PHE 42 C 0.0034 0.0132 -0.0098 1396 PHE 42 O 0.0035 0.0138 -0.0108 1397 PHE 42 CB 0.0026 0.0076 -0.0063 1398 PHE 42 CG 0.0022 0.0060 -0.0029 1399 PHE 42 CD1 0.0018 0.0016 -0.0031 1400 PHE 42 CD2 0.0019 0.0067 0.0007 1401 PHE 42 CE1 0.0013 0.0004 0.0006 1402 PHE 42 CE2 0.0015 0.0051 0.0038 1403 PHE 42 CZ 0.0011 0.0011 0.0038 1404 GLU 43 N 0.0301 0.0397 -0.0225 1405 GLU 43 CA 0.0397 0.0355 -0.0227 1406 GLU 43 C 0.0299 0.0354 -0.0206 1407 GLU 43 O 0.0308 0.0264 -0.0169 1408 GLU 43 CB 0.0447 0.0475 -0.0290 1409 GLU 43 CG 0.0402 0.0624 -0.0346 1410 GLU 43 CD 0.0612 0.0770 -0.0454 1411 GLU 43 OE1 0.0681 0.0703 -0.0440 1412 GLU 43 OE2 0.0467 0.0854 -0.0460 1413 SER 44 N 0.0138 0.0371 -0.0179 1414 SER 44 CA 0.0026 0.0312 -0.0130 1415 SER 44 C 0.0089 0.0168 -0.0080 1416 SER 44 O -0.0042 0.0084 -0.0015 1417 SER 44 CB -0.0117 0.0369 -0.0124 1418 SER 44 OG -0.0223 0.0358 -0.0097 1419 PHE 45 N 0.0091 0.0076 -0.0040 1420 PHE 45 CA 0.0086 -0.0070 0.0025 1421 PHE 45 C 0.0200 -0.0144 0.0033 1422 PHE 45 O 0.0203 -0.0279 0.0092 1423 PHE 45 CB 0.0103 -0.0083 0.0027 1424 PHE 45 CG -0.0051 -0.0052 0.0046 1425 PHE 45 CD1 -0.0034 -0.0107 0.0066 1426 PHE 45 CD2 -0.0141 0.0026 0.0031 1427 PHE 45 CE1 -0.0182 -0.0058 0.0076 1428 PHE 45 CE2 -0.0280 0.0085 0.0035 1429 PHE 45 CZ -0.0260 0.0011 0.0063 1430 GLY 46 N 0.0304 -0.0200 0.0027 1431 GLY 46 CA 0.0303 -0.0193 0.0003 1432 GLY 46 C 0.0242 -0.0173 0.0006 1433 GLY 46 O 0.0212 -0.0176 0.0059 1434 ASP 47 N 0.0232 -0.0159 -0.0032 1435 ASP 47 CA 0.0180 -0.0144 -0.0020 1436 ASP 47 C 0.0122 -0.0120 -0.0036 1437 ASP 47 O 0.0126 -0.0111 -0.0074 1438 ASP 47 CB 0.0187 -0.0131 -0.0080 1439 ASP 47 CG 0.0156 -0.0122 -0.0074 1440 ASP 47 OD1 0.0137 -0.0104 -0.0117 1441 ASP 47 OD2 0.0103 -0.0118 -0.0019 1442 LEU 48 N 0.0097 -0.0127 0.0022 1443 LEU 48 CA 0.0041 -0.0110 0.0035 1444 LEU 48 C -0.0005 -0.0097 0.0047 1445 LEU 48 O -0.0044 -0.0090 0.0070 1446 LEU 48 CB 0.0051 -0.0122 0.0068 1447 LEU 48 CG 0.0085 -0.0129 0.0046 1448 LEU 48 CD1 0.0091 -0.0144 0.0095 1449 LEU 48 CD2 0.0083 -0.0116 -0.0001 1450 SER 49 N -0.0168 -0.0155 0.0048 1451 SER 49 CA -0.0260 -0.0189 0.0047 1452 SER 49 C -0.0284 -0.0132 0.0017 1453 SER 49 O -0.0367 -0.0181 0.0024 1454 SER 49 CB -0.0289 -0.0147 0.0023 1455 SER 49 OG -0.0264 -0.0058 -0.0012 1456 THR 50 N -0.0275 -0.0098 0.0004 1457 THR 50 CA -0.0295 -0.0074 -0.0010 1458 THR 50 C -0.0242 -0.0060 -0.0007 1459 THR 50 O -0.0169 -0.0057 0.0005 1460 THR 50 CB -0.0322 -0.0018 -0.0040 1461 THR 50 OG1 -0.0286 0.0053 -0.0065 1462 THR 50 CG2 -0.0400 0.0002 -0.0063 1463 PRO 51 N -0.0274 -0.0043 -0.0020 1464 PRO 51 CA -0.0221 -0.0043 -0.0011 1465 PRO 51 C -0.0167 0.0022 -0.0029 1466 PRO 51 O -0.0086 0.0029 -0.0018 1467 PRO 51 CB -0.0269 -0.0034 -0.0023 1468 PRO 51 CG -0.0340 -0.0083 -0.0015 1469 PRO 51 CD -0.0359 -0.0068 -0.0025 1470 ASP 52 N -0.0234 0.0031 -0.0060 1471 ASP 52 CA -0.0193 0.0064 -0.0101 1472 ASP 52 C -0.0132 0.0032 -0.0095 1473 ASP 52 O -0.0076 0.0041 -0.0121 1474 ASP 52 CB -0.0226 0.0100 -0.0120 1475 ASP 52 CG -0.0259 0.0159 -0.0158 1476 ASP 52 OD1 -0.0257 0.0160 -0.0158 1477 ASP 52 OD2 -0.0321 0.0165 -0.0141 1478 ALA 53 N -0.0139 -0.0010 -0.0058 1479 ALA 53 CA -0.0081 -0.0046 -0.0049 1480 ALA 53 C -0.0030 -0.0070 -0.0046 1481 ALA 53 O 0.0025 -0.0081 -0.0055 1482 ALA 53 CB -0.0098 -0.0082 -0.0013 1483 VAL 54 N -0.0062 -0.0088 -0.0020 1484 VAL 54 CA -0.0028 -0.0112 -0.0012 1485 VAL 54 C -0.0000 -0.0078 -0.0049 1486 VAL 54 O 0.0062 -0.0089 -0.0061 1487 VAL 54 CB -0.0076 -0.0140 0.0027 1488 VAL 54 CG1 -0.0036 -0.0153 0.0025 1489 VAL 54 CG2 -0.0110 -0.0174 0.0067 1490 MET 55 N -0.0014 -0.0051 0.0042 1491 MET 55 CA -0.0008 -0.0039 0.0022 1492 MET 55 C -0.0004 -0.0052 0.0012 1493 MET 55 O 0.0002 -0.0047 -0.0008 1494 MET 55 CB -0.0009 -0.0010 0.0028 1495 MET 55 CG -0.0012 0.0007 0.0036 1496 MET 55 SD -0.0005 0.0008 0.0014 1497 MET 55 CE 0.0003 0.0022 -0.0009 1498 GLY 56 N -0.0010 -0.0065 0.0029 1499 GLY 56 CA -0.0007 -0.0078 0.0019 1500 GLY 56 C -0.0007 -0.0107 0.0019 1501 GLY 56 O -0.0003 -0.0121 0.0007 1502 ASN 57 N -0.0004 -0.0117 0.0012 1503 ASN 57 CA -0.0004 -0.0141 0.0010 1504 ASN 57 C 0.0004 -0.0146 -0.0015 1505 ASN 57 O 0.0010 -0.0135 -0.0032 1506 ASN 57 CB -0.0006 -0.0148 0.0018 1507 ASN 57 CG -0.0005 -0.0174 0.0012 1508 ASN 57 OD1 0.0001 -0.0184 -0.0004 1509 ASN 57 ND2 -0.0011 -0.0185 0.0032 1510 PRO 58 N -0.0091 -0.0199 0.0117 1511 PRO 58 CA -0.0111 -0.0208 0.0087 1512 PRO 58 C -0.0120 -0.0196 0.0047 1513 PRO 58 O -0.0128 -0.0193 0.0021 1514 PRO 58 CB -0.0135 -0.0248 0.0106 1515 PRO 58 CG -0.0125 -0.0250 0.0132 1516 PRO 58 CD -0.0102 -0.0233 0.0154 1517 LYS 59 N -0.0118 -0.0194 0.0046 1518 LYS 59 CA -0.0128 -0.0184 0.0006 1519 LYS 59 C -0.0104 -0.0146 -0.0010 1520 LYS 59 O -0.0111 -0.0136 -0.0044 1521 LYS 59 CB -0.0134 -0.0193 0.0009 1522 LYS 59 CG -0.0163 -0.0228 0.0005 1523 LYS 59 CD -0.0162 -0.0241 0.0029 1524 LYS 59 CE -0.0210 -0.0290 0.0010 1525 LYS 59 NZ -0.0196 -0.0288 0.0037 1526 VAL 60 N -0.0082 -0.0133 0.0017 1527 VAL 60 CA -0.0058 -0.0098 0.0008 1528 VAL 60 C -0.0062 -0.0092 -0.0011 1529 VAL 60 O -0.0058 -0.0071 -0.0040 1530 VAL 60 CB -0.0030 -0.0078 0.0036 1531 VAL 60 CG1 -0.0008 -0.0047 0.0029 1532 VAL 60 CG2 -0.0028 -0.0081 0.0048 1533 LYS 61 N -0.0048 -0.0069 0.0062 1534 LYS 61 CA -0.0046 -0.0067 0.0059 1535 LYS 61 C -0.0062 -0.0073 0.0039 1536 LYS 61 O -0.0057 -0.0065 0.0021 1537 LYS 61 CB -0.0053 -0.0078 0.0083 1538 LYS 61 CG -0.0039 -0.0073 0.0101 1539 LYS 61 CD -0.0049 -0.0089 0.0131 1540 LYS 61 CE -0.0026 -0.0075 0.0146 1541 LYS 61 NZ -0.0036 -0.0091 0.0173 1542 ALA 62 N -0.0080 -0.0086 0.0033 1543 ALA 62 CA -0.0094 -0.0091 0.0011 1544 ALA 62 C -0.0086 -0.0078 -0.0014 1545 ALA 62 O -0.0090 -0.0076 -0.0030 1546 ALA 62 CB -0.0114 -0.0107 0.0012 1547 HIS 63 N -0.0083 -0.0075 -0.0014 1548 HIS 63 CA -0.0074 -0.0062 -0.0037 1549 HIS 63 C -0.0054 -0.0045 -0.0040 1550 HIS 63 O -0.0054 -0.0040 -0.0062 1551 HIS 63 CB -0.0070 -0.0059 -0.0038 1552 HIS 63 CG -0.0068 -0.0051 -0.0061 1553 HIS 63 ND1 -0.0084 -0.0056 -0.0085 1554 HIS 63 CD2 -0.0050 -0.0034 -0.0072 1555 HIS 63 CE1 -0.0073 -0.0042 -0.0106 1556 HIS 63 NE2 -0.0056 -0.0032 -0.0098 1557 GLY 64 N 0.0010 -0.0022 0.0002 1558 GLY 64 CA 0.0033 -0.0001 -0.0003 1559 GLY 64 C 0.0058 0.0008 -0.0015 1560 GLY 64 O 0.0078 0.0013 -0.0028 1561 LYS 65 N 0.0053 0.0010 -0.0011 1562 LYS 65 CA 0.0072 0.0013 -0.0024 1563 LYS 65 C 0.0086 -0.0006 -0.0047 1564 LYS 65 O 0.0108 0.0000 -0.0060 1565 LYS 65 CB 0.0064 0.0022 -0.0012 1566 LYS 65 CG 0.0060 0.0011 -0.0016 1567 LYS 65 CD 0.0051 0.0029 0.0003 1568 LYS 65 CE 0.0077 0.0001 -0.0035 1569 LYS 65 NZ 0.0051 -0.0005 -0.0019 1570 LYS 66 N 0.0071 -0.0030 -0.0051 1571 LYS 66 CA 0.0081 -0.0047 -0.0069 1572 LYS 66 C 0.0097 -0.0053 -0.0085 1573 LYS 66 O 0.0117 -0.0058 -0.0104 1574 LYS 66 CB 0.0060 -0.0078 -0.0073 1575 LYS 66 CG 0.0065 -0.0103 -0.0093 1576 LYS 66 CD 0.0042 -0.0129 -0.0091 1577 LYS 66 CE 0.0065 -0.0138 -0.0115 1578 LYS 66 NZ 0.0046 -0.0173 -0.0123 1579 VAL 67 N 0.0040 0.0022 -0.0048 1580 VAL 67 CA 0.0064 0.0029 -0.0065 1581 VAL 67 C 0.0086 0.0042 -0.0060 1582 VAL 67 O 0.0100 0.0044 -0.0080 1583 VAL 67 CB 0.0063 0.0030 -0.0061 1584 VAL 67 CG1 0.0087 0.0042 -0.0066 1585 VAL 67 CG2 0.0041 0.0017 -0.0066 1586 LEU 68 N 0.0090 0.0051 -0.0037 1587 LEU 68 CA 0.0112 0.0064 -0.0034 1588 LEU 68 C 0.0114 0.0062 -0.0044 1589 LEU 68 O 0.0135 0.0072 -0.0049 1590 LEU 68 CB 0.0118 0.0075 -0.0009 1591 LEU 68 CG 0.0141 0.0089 -0.0003 1592 LEU 68 CD1 0.0147 0.0095 0.0008 1593 LEU 68 CD2 0.0150 0.0090 -0.0016 1594 GLY 69 N 0.0095 0.0053 -0.0042 1595 GLY 69 CA 0.0095 0.0050 -0.0050 1596 GLY 69 C 0.0103 0.0046 -0.0081 1597 GLY 69 O 0.0118 0.0051 -0.0090 1598 ALA 70 N -0.0014 0.0117 -0.0040 1599 ALA 70 CA -0.0012 0.0113 -0.0040 1600 ALA 70 C -0.0009 0.0110 -0.0040 1601 ALA 70 O -0.0005 0.0107 -0.0039 1602 ALA 70 CB -0.0014 0.0111 -0.0043 1603 PHE 71 N -0.0012 0.0109 -0.0042 1604 PHE 71 CA -0.0010 0.0106 -0.0042 1605 PHE 71 C -0.0005 0.0108 -0.0039 1606 PHE 71 O -0.0002 0.0105 -0.0038 1607 PHE 71 CB -0.0013 0.0107 -0.0044 1608 PHE 71 CG -0.0012 0.0104 -0.0044 1609 PHE 71 CD1 -0.0012 0.0099 -0.0046 1610 PHE 71 CD2 -0.0010 0.0106 -0.0042 1611 PHE 71 CE1 -0.0011 0.0096 -0.0046 1612 PHE 71 CE2 -0.0009 0.0103 -0.0042 1613 PHE 71 CZ -0.0009 0.0098 -0.0045 1614 SER 72 N -0.0006 0.0112 -0.0037 1615 SER 72 CA -0.0002 0.0115 -0.0034 1616 SER 72 C 0.0002 0.0113 -0.0032 1617 SER 72 O 0.0006 0.0111 -0.0031 1618 SER 72 CB -0.0004 0.0120 -0.0033 1619 SER 72 OG -0.0001 0.0123 -0.0031 1620 ASP 73 N -0.0080 0.0131 -0.0023 1621 ASP 73 CA -0.0074 0.0127 -0.0028 1622 ASP 73 C -0.0069 0.0123 -0.0032 1623 ASP 73 O -0.0061 0.0120 -0.0036 1624 ASP 73 CB -0.0081 0.0123 -0.0029 1625 ASP 73 CG -0.0085 0.0129 -0.0023 1626 ASP 73 OD1 -0.0082 0.0138 -0.0017 1627 ASP 73 OD2 -0.0090 0.0127 -0.0024 1628 GLY 74 N -0.0072 0.0118 -0.0035 1629 GLY 74 CA -0.0068 0.0114 -0.0039 1630 GLY 74 C -0.0060 0.0116 -0.0039 1631 GLY 74 O -0.0052 0.0115 -0.0042 1632 LEU 75 N -0.0058 0.0126 -0.0032 1633 LEU 75 CA -0.0051 0.0130 -0.0031 1634 LEU 75 C -0.0042 0.0131 -0.0032 1635 LEU 75 O -0.0035 0.0133 -0.0033 1636 LEU 75 CB -0.0052 0.0138 -0.0024 1637 LEU 75 CG -0.0059 0.0138 -0.0023 1638 LEU 75 CD1 -0.0062 0.0147 -0.0015 1639 LEU 75 CD2 -0.0059 0.0134 -0.0025 1640 ALA 76 N -0.0057 0.0150 -0.0041 1641 ALA 76 CA -0.0033 0.0149 -0.0031 1642 ALA 76 C -0.0017 0.0126 -0.0031 1643 ALA 76 O -0.0001 0.0122 -0.0025 1644 ALA 76 CB -0.0030 0.0167 -0.0023 1645 HIS 77 N -0.0034 0.0103 -0.0046 1646 HIS 77 CA -0.0024 0.0079 -0.0049 1647 HIS 77 C -0.0032 0.0060 -0.0059 1648 HIS 77 O -0.0037 0.0040 -0.0068 1649 HIS 77 CB -0.0039 0.0079 -0.0056 1650 HIS 77 CG -0.0033 0.0103 -0.0046 1651 HIS 77 ND1 -0.0043 0.0127 -0.0042 1652 HIS 77 CD2 -0.0001 0.0097 -0.0033 1653 HIS 77 CE1 -0.0028 0.0133 -0.0033 1654 HIS 77 NE2 -0.0006 0.0120 -0.0028 1655 LEU 78 N -0.0028 0.0061 -0.0057 1656 LEU 78 CA -0.0038 0.0044 -0.0067 1657 LEU 78 C -0.0020 0.0017 -0.0068 1658 LEU 78 O -0.0032 0.0001 -0.0079 1659 LEU 78 CB -0.0030 0.0049 -0.0062 1660 LEU 78 CG -0.0055 0.0069 -0.0067 1661 LEU 78 CD1 -0.0046 0.0086 -0.0057 1662 LEU 78 CD2 -0.0081 0.0066 -0.0080 1663 ASP 79 N 0.0041 -0.0010 -0.0034 1664 ASP 79 CA 0.0062 -0.0022 -0.0058 1665 ASP 79 C 0.0034 -0.0020 -0.0091 1666 ASP 79 O 0.0032 -0.0023 -0.0108 1667 ASP 79 CB 0.0055 -0.0015 -0.0035 1668 ASP 79 CG 0.0076 -0.0016 -0.0011 1669 ASP 79 OD1 0.0078 -0.0012 0.0009 1670 ASP 79 OD2 0.0115 -0.0029 -0.0015 1671 ASN 80 N -0.0003 -0.0008 -0.0086 1672 ASN 80 CA -0.0036 -0.0004 -0.0115 1673 ASN 80 C -0.0060 0.0004 -0.0114 1674 ASN 80 O -0.0087 0.0012 -0.0114 1675 ASN 80 CB -0.0048 0.0003 -0.0103 1676 ASN 80 CG -0.0076 0.0005 -0.0134 1677 ASN 80 OD1 -0.0073 -0.0003 -0.0166 1678 ASN 80 ND2 -0.0102 0.0018 -0.0112 1679 LEU 81 N -0.0047 -0.0002 -0.0125 1680 LEU 81 CA -0.0081 0.0006 -0.0132 1681 LEU 81 C -0.0105 0.0008 -0.0158 1682 LEU 81 O -0.0133 0.0016 -0.0163 1683 LEU 81 CB -0.0058 0.0000 -0.0129 1684 LEU 81 CG -0.0036 -0.0001 -0.0101 1685 LEU 81 CD1 -0.0013 -0.0009 -0.0108 1686 LEU 81 CD2 -0.0057 0.0013 -0.0070 1687 LYS 82 N -0.0040 0.0092 -0.0174 1688 LYS 82 CA -0.0053 0.0080 -0.0181 1689 LYS 82 C -0.0080 0.0056 -0.0196 1690 LYS 82 O -0.0097 0.0032 -0.0191 1691 LYS 82 CB -0.0041 0.0114 -0.0213 1692 LYS 82 CG -0.0014 0.0137 -0.0194 1693 LYS 82 CD -0.0002 0.0172 -0.0230 1694 LYS 82 CE -0.0011 0.0165 -0.0235 1695 LYS 82 NZ -0.0010 0.0202 -0.0297 1696 GLY 83 N -0.0095 0.0053 -0.0222 1697 GLY 83 CA -0.0129 0.0019 -0.0236 1698 GLY 83 C -0.0138 -0.0010 -0.0207 1699 GLY 83 O -0.0163 -0.0038 -0.0211 1700 THR 84 N -0.0125 -0.0008 -0.0182 1701 THR 84 CA -0.0130 -0.0036 -0.0147 1702 THR 84 C -0.0136 -0.0055 -0.0127 1703 THR 84 O -0.0149 -0.0081 -0.0109 1704 THR 84 CB -0.0113 -0.0031 -0.0118 1705 THR 84 OG1 -0.0118 -0.0019 -0.0149 1706 THR 84 CG2 -0.0123 -0.0058 -0.0095 1707 PHE 85 N -0.0030 -0.0037 -0.0072 1708 PHE 85 CA -0.0017 -0.0047 -0.0038 1709 PHE 85 C -0.0013 -0.0056 -0.0029 1710 PHE 85 O -0.0003 -0.0061 -0.0002 1711 PHE 85 CB -0.0014 -0.0027 -0.0016 1712 PHE 85 CG -0.0015 -0.0029 -0.0022 1713 PHE 85 CD1 -0.0024 -0.0004 -0.0033 1714 PHE 85 CD2 -0.0008 -0.0058 -0.0016 1715 PHE 85 CE1 -0.0025 -0.0011 -0.0040 1716 PHE 85 CE2 -0.0010 -0.0055 -0.0022 1717 PHE 85 CZ -0.0018 -0.0035 -0.0035 1718 ALA 86 N -0.0019 -0.0052 -0.0047 1719 ALA 86 CA -0.0015 -0.0057 -0.0037 1720 ALA 86 C -0.0005 -0.0086 -0.0024 1721 ALA 86 O 0.0003 -0.0088 0.0001 1722 ALA 86 CB -0.0024 -0.0051 -0.0063 1723 THR 87 N -0.0005 -0.0112 -0.0039 1724 THR 87 CA 0.0006 -0.0139 -0.0024 1725 THR 87 C 0.0016 -0.0147 0.0005 1726 THR 87 O 0.0025 -0.0158 0.0027 1727 THR 87 CB 0.0006 -0.0176 -0.0048 1728 THR 87 OG1 -0.0001 -0.0174 -0.0068 1729 THR 87 CG2 0.0016 -0.0207 -0.0033 1730 LEU 88 N 0.0032 -0.0118 0.0068 1731 LEU 88 CA 0.0048 -0.0122 0.0091 1732 LEU 88 C 0.0062 -0.0102 0.0100 1733 LEU 88 O 0.0073 -0.0107 0.0117 1734 LEU 88 CB 0.0052 -0.0127 0.0098 1735 LEU 88 CG 0.0041 -0.0152 0.0095 1736 LEU 88 CD1 0.0050 -0.0150 0.0105 1737 LEU 88 CD2 0.0049 -0.0170 0.0113 1738 SER 89 N 0.0061 -0.0078 0.0088 1739 SER 89 CA 0.0074 -0.0057 0.0096 1740 SER 89 C 0.0075 -0.0062 0.0100 1741 SER 89 O 0.0088 -0.0061 0.0116 1742 SER 89 CB 0.0068 -0.0035 0.0079 1743 SER 89 OG 0.0082 -0.0013 0.0087 1744 GLU 90 N 0.0059 -0.0067 0.0081 1745 GLU 90 CA 0.0057 -0.0077 0.0083 1746 GLU 90 C 0.0063 -0.0096 0.0099 1747 GLU 90 O 0.0074 -0.0094 0.0112 1748 GLU 90 CB 0.0036 -0.0081 0.0057 1749 GLU 90 CG 0.0035 -0.0060 0.0046 1750 GLU 90 CD 0.0012 -0.0060 0.0017 1751 GLU 90 OE1 0.0013 -0.0068 0.0021 1752 GLU 90 OE2 0.0001 -0.0066 0.0005 1753 LEU 91 N 0.0006 -0.0053 0.0118 1754 LEU 91 CA -0.0001 -0.0055 0.0126 1755 LEU 91 C 0.0016 -0.0056 0.0123 1756 LEU 91 O 0.0013 -0.0054 0.0118 1757 LEU 91 CB -0.0010 -0.0064 0.0149 1758 LEU 91 CG -0.0017 -0.0067 0.0159 1759 LEU 91 CD1 -0.0043 -0.0061 0.0152 1760 LEU 91 CD2 -0.0017 -0.0076 0.0180 1761 HIS 92 N 0.0038 -0.0062 0.0131 1762 HIS 92 CA 0.0053 -0.0064 0.0131 1763 HIS 92 C 0.0064 -0.0055 0.0106 1764 HIS 92 O 0.0070 -0.0054 0.0103 1765 HIS 92 CB 0.0077 -0.0071 0.0141 1766 HIS 92 CG 0.0074 -0.0082 0.0167 1767 HIS 92 ND1 0.0062 -0.0086 0.0180 1768 HIS 92 CD2 0.0083 -0.0089 0.0182 1769 HIS 92 CE1 0.0063 -0.0095 0.0202 1770 HIS 92 NE2 0.0077 -0.0097 0.0201 1771 CYS 93 N 0.0063 -0.0048 0.0091 1772 CYS 93 CA 0.0067 -0.0040 0.0069 1773 CYS 93 C 0.0045 -0.0033 0.0060 1774 CYS 93 O 0.0049 -0.0031 0.0053 1775 CYS 93 CB 0.0073 -0.0036 0.0057 1776 CYS 93 SG 0.0078 -0.0023 0.0026 1777 ASP 94 N 0.0027 -0.0049 0.0054 1778 ASP 94 CA -0.0007 -0.0016 0.0021 1779 ASP 94 C -0.0037 0.0019 0.0027 1780 ASP 94 O -0.0068 0.0048 -0.0014 1781 ASP 94 CB -0.0017 0.0001 0.0052 1782 ASP 94 CG 0.0009 -0.0029 0.0052 1783 ASP 94 OD1 0.0024 -0.0052 0.0015 1784 ASP 94 OD2 0.0006 -0.0020 0.0087 1785 LYS 95 N -0.0044 0.0034 0.0065 1786 LYS 95 CA -0.0073 0.0066 0.0057 1787 LYS 95 C -0.0072 0.0064 0.0051 1788 LYS 95 O -0.0090 0.0080 0.0023 1789 LYS 95 CB -0.0088 0.0094 0.0123 1790 LYS 95 CG -0.0101 0.0111 0.0136 1791 LYS 95 CD -0.0134 0.0140 0.0083 1792 LYS 95 CE -0.0152 0.0165 0.0104 1793 LYS 95 NZ -0.0179 0.0188 0.0062 1794 LEU 96 N -0.0036 0.0027 0.0076 1795 LEU 96 CA -0.0028 0.0015 0.0063 1796 LEU 96 C -0.0010 -0.0013 0.0012 1797 LEU 96 O -0.0012 -0.0014 -0.0005 1798 LEU 96 CB -0.0012 0.0006 0.0118 1799 LEU 96 CG -0.0024 0.0030 0.0180 1800 LEU 96 CD1 0.0004 0.0006 0.0227 1801 LEU 96 CD2 -0.0064 0.0073 0.0167 1802 HIS 97 N -0.0027 0.0028 0.0021 1803 HIS 97 CA -0.0017 0.0019 -0.0002 1804 HIS 97 C 0.0001 0.0007 0.0005 1805 HIS 97 O 0.0005 0.0003 -0.0009 1806 HIS 97 CB -0.0031 0.0027 -0.0025 1807 HIS 97 CG -0.0053 0.0041 -0.0030 1808 HIS 97 ND1 -0.0050 0.0038 -0.0037 1809 HIS 97 CD2 -0.0072 0.0055 -0.0021 1810 HIS 97 CE1 -0.0070 0.0052 -0.0035 1811 HIS 97 NE2 -0.0083 0.0062 -0.0029 1812 VAL 98 N 0.0015 -0.0001 0.0026 1813 VAL 98 CA 0.0031 -0.0011 0.0035 1814 VAL 98 C 0.0054 -0.0028 0.0021 1815 VAL 98 O 0.0062 -0.0033 0.0030 1816 VAL 98 CB 0.0036 -0.0011 0.0064 1817 VAL 98 CG1 0.0053 -0.0022 0.0074 1818 VAL 98 CG2 0.0014 0.0005 0.0078 1819 ASP 99 N 0.0063 -0.0036 0.0006 1820 ASP 99 CA 0.0082 -0.0051 -0.0008 1821 ASP 99 C 0.0098 -0.0059 0.0018 1822 ASP 99 O 0.0102 -0.0060 0.0035 1823 ASP 99 CB 0.0088 -0.0056 -0.0021 1824 ASP 99 CG 0.0111 -0.0073 -0.0034 1825 ASP 99 OD1 0.0113 -0.0076 -0.0050 1826 ASP 99 OD2 0.0122 -0.0080 -0.0026 1827 PRO 100 N 0.0103 -0.0044 0.0049 1828 PRO 100 CA 0.0101 -0.0046 0.0051 1829 PRO 100 C 0.0090 -0.0053 0.0042 1830 PRO 100 O 0.0089 -0.0052 0.0040 1831 PRO 100 CB 0.0102 -0.0053 0.0064 1832 PRO 100 CG 0.0106 -0.0053 0.0070 1833 PRO 100 CD 0.0106 -0.0048 0.0061 1834 GLU 101 N 0.0083 -0.0055 0.0035 1835 GLU 101 CA 0.0073 -0.0059 0.0026 1836 GLU 101 C 0.0074 -0.0051 0.0015 1837 GLU 101 O 0.0070 -0.0052 0.0011 1838 GLU 101 CB 0.0065 -0.0064 0.0021 1839 GLU 101 CG 0.0055 -0.0068 0.0011 1840 GLU 101 CD 0.0048 -0.0082 0.0020 1841 GLU 101 OE1 0.0052 -0.0084 0.0030 1842 GLU 101 OE2 0.0043 -0.0079 0.0009 1843 ASN 102 N 0.0084 -0.0040 0.0013 1844 ASN 102 CA 0.0086 -0.0032 0.0004 1845 ASN 102 C 0.0088 -0.0032 0.0007 1846 ASN 102 O 0.0086 -0.0028 -0.0002 1847 ASN 102 CB 0.0096 -0.0022 0.0003 1848 ASN 102 CG 0.0092 -0.0020 -0.0004 1849 ASN 102 OD1 0.0088 -0.0019 -0.0013 1850 ASN 102 ND2 0.0098 -0.0020 0.0004 1851 PHE 103 N 0.0108 -0.0038 0.0035 1852 PHE 103 CA 0.0097 -0.0042 0.0035 1853 PHE 103 C 0.0070 -0.0056 0.0022 1854 PHE 103 O 0.0060 -0.0062 0.0008 1855 PHE 103 CB 0.0096 -0.0040 0.0058 1856 PHE 103 CG 0.0123 -0.0027 0.0072 1857 PHE 103 CD1 0.0144 -0.0020 0.0053 1858 PHE 103 CD2 0.0124 -0.0023 0.0098 1859 PHE 103 CE1 0.0168 -0.0009 0.0065 1860 PHE 103 CE2 0.0150 -0.0010 0.0108 1861 PHE 103 CZ 0.0170 -0.0004 0.0089 1862 ARG 104 N 0.0056 -0.0060 0.0034 1863 ARG 104 CA 0.0030 -0.0072 0.0026 1864 ARG 104 C 0.0028 -0.0077 -0.0001 1865 ARG 104 O 0.0011 -0.0086 -0.0019 1866 ARG 104 CB 0.0017 -0.0074 0.0047 1867 ARG 104 CG 0.0013 -0.0073 0.0075 1868 ARG 104 CD 0.0004 -0.0072 0.0103 1869 ARG 104 NE 0.0017 -0.0063 0.0128 1870 ARG 104 CZ -0.0012 -0.0073 0.0146 1871 ARG 104 NH1 -0.0011 -0.0073 0.0142 1872 ARG 104 NH2 -0.0030 -0.0077 0.0173 1873 LEU 105 N 0.0046 -0.0070 -0.0010 1874 LEU 105 CA 0.0049 -0.0073 -0.0037 1875 LEU 105 C 0.0056 -0.0073 -0.0057 1876 LEU 105 O 0.0043 -0.0081 -0.0078 1877 LEU 105 CB 0.0070 -0.0064 -0.0041 1878 LEU 105 CG 0.0064 -0.0065 -0.0026 1879 LEU 105 CD1 0.0089 -0.0055 -0.0030 1880 LEU 105 CD2 0.0041 -0.0076 -0.0039 1881 LEU 106 N 0.0057 -0.0069 -0.0045 1882 LEU 106 CA 0.0062 -0.0063 -0.0051 1883 LEU 106 C 0.0058 -0.0066 -0.0050 1884 LEU 106 O 0.0056 -0.0064 -0.0057 1885 LEU 106 CB 0.0072 -0.0058 -0.0047 1886 LEU 106 CG 0.0077 -0.0052 -0.0052 1887 LEU 106 CD1 0.0075 -0.0048 -0.0062 1888 LEU 106 CD2 0.0085 -0.0049 -0.0046 1889 GLY 107 N 0.0055 -0.0072 -0.0042 1890 GLY 107 CA 0.0052 -0.0075 -0.0040 1891 GLY 107 C 0.0043 -0.0078 -0.0047 1892 GLY 107 O 0.0041 -0.0077 -0.0052 1893 ASN 108 N 0.0037 -0.0080 -0.0050 1894 ASN 108 CA 0.0029 -0.0083 -0.0056 1895 ASN 108 C 0.0030 -0.0077 -0.0067 1896 ASN 108 O 0.0025 -0.0077 -0.0073 1897 ASN 108 CB 0.0023 -0.0087 -0.0056 1898 ASN 108 CG 0.0018 -0.0096 -0.0045 1899 ASN 108 OD1 0.0019 -0.0096 -0.0043 1900 ASN 108 ND2 0.0016 -0.0097 -0.0047 1901 VAL 109 N 0.0035 -0.0042 -0.0040 1902 VAL 109 CA 0.0034 -0.0034 -0.0046 1903 VAL 109 C 0.0039 -0.0029 -0.0041 1904 VAL 109 O 0.0038 -0.0025 -0.0045 1905 VAL 109 CB 0.0034 -0.0026 -0.0049 1906 VAL 109 CG1 0.0034 -0.0017 -0.0054 1907 VAL 109 CG2 0.0027 -0.0030 -0.0056 1908 LEU 110 N 0.0046 -0.0028 -0.0033 1909 LEU 110 CA 0.0051 -0.0024 -0.0027 1910 LEU 110 C 0.0049 -0.0030 -0.0027 1911 LEU 110 O 0.0050 -0.0026 -0.0028 1912 LEU 110 CB 0.0058 -0.0024 -0.0019 1913 LEU 110 CG 0.0064 -0.0020 -0.0012 1914 LEU 110 CD1 0.0065 -0.0009 -0.0017 1915 LEU 110 CD2 0.0070 -0.0020 -0.0004 1916 VAL 111 N 0.0046 -0.0040 -0.0026 1917 VAL 111 CA 0.0044 -0.0046 -0.0025 1918 VAL 111 C 0.0039 -0.0043 -0.0034 1919 VAL 111 O 0.0039 -0.0042 -0.0035 1920 VAL 111 CB 0.0042 -0.0057 -0.0022 1921 VAL 111 CG1 0.0039 -0.0063 -0.0024 1922 VAL 111 CG2 0.0049 -0.0059 -0.0013 1923 CYS 112 N 0.0059 -0.0017 0.0013 1924 CYS 112 CA 0.0056 -0.0015 0.0011 1925 CYS 112 C 0.0054 -0.0007 0.0017 1926 CYS 112 O 0.0056 -0.0006 0.0020 1927 CYS 112 CB 0.0050 -0.0014 0.0005 1928 CYS 112 SG 0.0051 -0.0024 -0.0002 1929 VAL 113 N 0.0052 -0.0003 0.0018 1930 VAL 113 CA 0.0051 0.0004 0.0024 1931 VAL 113 C 0.0057 0.0004 0.0030 1932 VAL 113 O 0.0057 0.0008 0.0034 1933 VAL 113 CB 0.0047 0.0009 0.0024 1934 VAL 113 CG1 0.0047 0.0015 0.0030 1935 VAL 113 CG2 0.0041 0.0010 0.0018 1936 LEU 114 N 0.0062 0.0000 0.0033 1937 LEU 114 CA 0.0068 -0.0000 0.0039 1938 LEU 114 C 0.0070 -0.0002 0.0039 1939 LEU 114 O 0.0073 0.0000 0.0045 1940 LEU 114 CB 0.0072 -0.0004 0.0040 1941 LEU 114 CG 0.0071 -0.0001 0.0041 1942 LEU 114 CD1 0.0075 -0.0007 0.0041 1943 LEU 114 CD2 0.0071 0.0005 0.0048 1944 ALA 115 N 0.0084 0.0001 0.0071 1945 ALA 115 CA 0.0079 -0.0002 0.0067 1946 ALA 115 C 0.0076 0.0006 0.0060 1947 ALA 115 O 0.0075 0.0007 0.0058 1948 ALA 115 CB 0.0074 -0.0010 0.0065 1949 HIS 116 N 0.0075 0.0011 0.0055 1950 HIS 116 CA 0.0072 0.0018 0.0048 1951 HIS 116 C 0.0077 0.0025 0.0050 1952 HIS 116 O 0.0076 0.0029 0.0046 1953 HIS 116 CB 0.0071 0.0023 0.0044 1954 HIS 116 CG 0.0067 0.0029 0.0036 1955 HIS 116 ND1 0.0070 0.0039 0.0035 1956 HIS 116 CD2 0.0062 0.0029 0.0030 1957 HIS 116 CE1 0.0065 0.0042 0.0026 1958 HIS 116 NE2 0.0060 0.0037 0.0023 1959 HIS 117 N 0.0084 0.0029 0.0056 1960 HIS 117 CA 0.0089 0.0035 0.0060 1961 HIS 117 C 0.0091 0.0033 0.0063 1962 HIS 117 O 0.0092 0.0039 0.0061 1963 HIS 117 CB 0.0097 0.0039 0.0067 1964 HIS 117 CG 0.0100 0.0048 0.0065 1965 HIS 117 ND1 0.0093 0.0046 0.0058 1966 HIS 117 CD2 0.0106 0.0059 0.0067 1967 HIS 117 CE1 0.0096 0.0057 0.0056 1968 HIS 117 NE2 0.0103 0.0061 0.0063 1969 PHE 118 N 0.0046 -0.0005 0.0100 1970 PHE 118 CA 0.0047 -0.0007 0.0102 1971 PHE 118 C 0.0053 -0.0009 0.0103 1972 PHE 118 O 0.0054 -0.0011 0.0106 1973 PHE 118 CB 0.0044 -0.0004 0.0100 1974 PHE 118 CG 0.0038 -0.0003 0.0101 1975 PHE 118 CD1 0.0035 0.0000 0.0097 1976 PHE 118 CD2 0.0034 -0.0006 0.0106 1977 PHE 118 CE1 0.0028 0.0002 0.0098 1978 PHE 118 CE2 0.0029 -0.0004 0.0106 1979 PHE 118 CZ 0.0025 -0.0001 0.0103 1980 GLY 119 N 0.0057 -0.0008 0.0100 1981 GLY 119 CA 0.0064 -0.0011 0.0101 1982 GLY 119 C 0.0065 -0.0011 0.0100 1983 GLY 119 O 0.0064 -0.0008 0.0097 1984 LYS 120 N 0.0067 -0.0014 0.0103 1985 LYS 120 CA 0.0070 -0.0014 0.0103 1986 LYS 120 C 0.0066 -0.0013 0.0103 1987 LYS 120 O 0.0069 -0.0012 0.0101 1988 LYS 120 CB 0.0074 -0.0018 0.0107 1989 LYS 120 CG 0.0071 -0.0021 0.0112 1990 LYS 120 CD 0.0075 -0.0025 0.0116 1991 LYS 120 CE 0.0070 -0.0026 0.0120 1992 LYS 120 NZ 0.0070 -0.0029 0.0124 1993 GLU 121 N 0.0036 -0.0022 0.0119 1994 GLU 121 CA 0.0028 -0.0021 0.0110 1995 GLU 121 C 0.0025 -0.0015 0.0090 1996 GLU 121 O 0.0022 -0.0012 0.0080 1997 GLU 121 CB 0.0010 -0.0027 0.0118 1998 GLU 121 CG 0.0007 -0.0027 0.0117 1999 GLU 121 CD -0.0018 -0.0035 0.0125 2000 GLU 121 OE1 -0.0023 -0.0032 0.0111 2001 GLU 121 OE2 -0.0012 -0.0038 0.0138 2002 PHE 122 N 0.0025 -0.0014 0.0087 2003 PHE 122 CA 0.0022 -0.0009 0.0069 2004 PHE 122 C 0.0041 -0.0003 0.0062 2005 PHE 122 O 0.0049 -0.0001 0.0060 2006 PHE 122 CB 0.0014 -0.0011 0.0069 2007 PHE 122 CG 0.0006 -0.0007 0.0052 2008 PHE 122 CD1 -0.0007 -0.0007 0.0045 2009 PHE 122 CD2 0.0013 -0.0003 0.0044 2010 PHE 122 CE1 -0.0016 -0.0004 0.0029 2011 PHE 122 CE2 0.0006 0.0001 0.0027 2012 PHE 122 CZ -0.0008 -0.0000 0.0021 2013 THR 123 N 0.0046 -0.0001 0.0059 2014 THR 123 CA 0.0064 0.0004 0.0055 2015 THR 123 C 0.0066 0.0011 0.0035 2016 THR 123 O 0.0053 0.0010 0.0028 2017 THR 123 CB 0.0069 0.0005 0.0055 2018 THR 123 OG1 0.0059 0.0006 0.0046 2019 THR 123 CG2 0.0069 -0.0000 0.0073 2020 PRO 124 N 0.0025 0.0029 0.0036 2021 PRO 124 CA 0.0027 0.0022 0.0013 2022 PRO 124 C 0.0031 0.0017 -0.0004 2023 PRO 124 O 0.0017 0.0007 -0.0020 2024 PRO 124 CB 0.0047 0.0028 0.0012 2025 PRO 124 CG 0.0048 0.0038 0.0037 2026 PRO 124 CD 0.0042 0.0041 0.0052 2027 PRO 125 N 0.0042 0.0020 -0.0006 2028 PRO 125 CA 0.0044 0.0015 -0.0022 2029 PRO 125 C 0.0023 0.0007 -0.0024 2030 PRO 125 O 0.0016 -0.0001 -0.0042 2031 PRO 125 CB 0.0062 0.0022 -0.0021 2032 PRO 125 CG 0.0075 0.0031 -0.0007 2033 PRO 125 CD 0.0062 0.0033 0.0009 2034 VAL 126 N 0.0012 0.0010 -0.0005 2035 VAL 126 CA -0.0009 0.0003 -0.0005 2036 VAL 126 C -0.0027 -0.0005 -0.0010 2037 VAL 126 O -0.0041 -0.0015 -0.0025 2038 VAL 126 CB -0.0017 0.0010 0.0021 2039 VAL 126 CG1 -0.0039 0.0002 0.0020 2040 VAL 126 CG2 -0.0004 0.0016 0.0026 2041 GLN 127 N -0.0027 -0.0047 -0.0005 2042 GLN 127 CA -0.0029 -0.0044 -0.0017 2043 GLN 127 C -0.0034 -0.0039 -0.0040 2044 GLN 127 O -0.0046 -0.0037 -0.0054 2045 GLN 127 CB -0.0015 -0.0044 -0.0011 2046 GLN 127 CG -0.0019 -0.0040 -0.0027 2047 GLN 127 CD -0.0002 -0.0038 -0.0022 2048 GLN 127 OE1 0.0014 -0.0039 -0.0008 2049 GLN 127 NE2 -0.0003 -0.0035 -0.0035 2050 ALA 128 N -0.0015 -0.0033 -0.0049 2051 ALA 128 CA -0.0015 -0.0027 -0.0071 2052 ALA 128 C -0.0034 -0.0028 -0.0082 2053 ALA 128 O -0.0043 -0.0025 -0.0099 2054 ALA 128 CB 0.0008 -0.0022 -0.0076 2055 ALA 129 N -0.0043 -0.0032 -0.0071 2056 ALA 129 CA -0.0062 -0.0034 -0.0077 2057 ALA 129 C -0.0083 -0.0038 -0.0076 2058 ALA 129 O -0.0096 -0.0036 -0.0094 2059 ALA 129 CB -0.0065 -0.0039 -0.0062 2060 TYR 130 N -0.0062 -0.0045 -0.0030 2061 TYR 130 CA -0.0072 -0.0030 -0.0037 2062 TYR 130 C -0.0078 -0.0035 -0.0055 2063 TYR 130 O -0.0084 -0.0025 -0.0059 2064 TYR 130 CB -0.0079 -0.0017 -0.0042 2065 TYR 130 CG -0.0078 -0.0001 -0.0027 2066 TYR 130 CD1 -0.0084 0.0017 -0.0025 2067 TYR 130 CD2 -0.0071 -0.0004 -0.0015 2068 TYR 130 CE1 -0.0081 0.0029 -0.0010 2069 TYR 130 CE2 -0.0067 0.0011 0.0004 2070 TYR 130 CZ -0.0075 0.0028 0.0002 2071 TYR 130 OH -0.0073 0.0042 0.0018 2072 GLN 131 N -0.0077 -0.0051 -0.0066 2073 GLN 131 CA -0.0081 -0.0059 -0.0080 2074 GLN 131 C -0.0077 -0.0063 -0.0076 2075 GLN 131 O -0.0084 -0.0056 -0.0084 2076 GLN 131 CB -0.0079 -0.0077 -0.0091 2077 GLN 131 CG -0.0086 -0.0073 -0.0101 2078 GLN 131 CD -0.0097 -0.0065 -0.0119 2079 GLN 131 OE1 -0.0101 -0.0064 -0.0125 2080 GLN 131 NE2 -0.0103 -0.0062 -0.0128 2081 LYS 132 N -0.0067 -0.0070 -0.0060 2082 LYS 132 CA -0.0062 -0.0074 -0.0053 2083 LYS 132 C -0.0067 -0.0054 -0.0048 2084 LYS 132 O -0.0071 -0.0050 -0.0053 2085 LYS 132 CB -0.0051 -0.0082 -0.0038 2086 LYS 132 CG -0.0045 -0.0104 -0.0042 2087 LYS 132 CD -0.0034 -0.0111 -0.0025 2088 LYS 132 CE -0.0030 -0.0132 -0.0035 2089 LYS 132 NZ -0.0017 -0.0137 -0.0011 2090 VAL 133 N -0.0093 -0.0032 -0.0076 2091 VAL 133 CA -0.0081 -0.0028 -0.0077 2092 VAL 133 C -0.0067 -0.0023 -0.0076 2093 VAL 133 O -0.0057 -0.0017 -0.0066 2094 VAL 133 CB -0.0079 -0.0033 -0.0090 2095 VAL 133 CG1 -0.0066 -0.0029 -0.0092 2096 VAL 133 CG2 -0.0093 -0.0037 -0.0089 2097 VAL 134 N -0.0064 -0.0025 -0.0084 2098 VAL 134 CA -0.0052 -0.0022 -0.0085 2099 VAL 134 C -0.0052 -0.0016 -0.0071 2100 VAL 134 O -0.0039 -0.0010 -0.0065 2101 VAL 134 CB -0.0046 -0.0023 -0.0095 2102 VAL 134 CG1 -0.0045 -0.0028 -0.0110 2103 VAL 134 CG2 -0.0058 -0.0028 -0.0098 2104 ALA 135 N -0.0064 -0.0017 -0.0063 2105 ALA 135 CA -0.0064 -0.0012 -0.0048 2106 ALA 135 C -0.0060 -0.0007 -0.0037 2107 ALA 135 O -0.0052 -0.0000 -0.0026 2108 ALA 135 CB -0.0077 -0.0015 -0.0045 2109 GLY 136 N -0.0061 0.0038 -0.0021 2110 GLY 136 CA -0.0059 0.0035 -0.0025 2111 GLY 136 C -0.0029 0.0018 -0.0023 2112 GLY 136 O -0.0019 0.0019 -0.0009 2113 VAL 137 N -0.0015 0.0001 -0.0043 2114 VAL 137 CA 0.0013 -0.0015 -0.0042 2115 VAL 137 C 0.0032 -0.0012 -0.0013 2116 VAL 137 O 0.0050 -0.0017 -0.0001 2117 VAL 137 CB 0.0023 -0.0033 -0.0067 2118 VAL 137 CG1 0.0053 -0.0049 -0.0064 2119 VAL 137 CG2 0.0004 -0.0035 -0.0095 2120 ALA 138 N 0.0029 -0.0003 0.0004 2121 ALA 138 CA 0.0046 0.0002 0.0033 2122 ALA 138 C 0.0046 0.0012 0.0054 2123 ALA 138 O 0.0063 0.0011 0.0074 2124 ALA 138 CB 0.0039 0.0011 0.0044 2125 ASN 139 N 0.0052 0.0071 0.0083 2126 ASN 139 CA 0.0047 0.0084 0.0086 2127 ASN 139 C 0.0044 0.0073 0.0071 2128 ASN 139 O 0.0051 0.0072 0.0082 2129 ASN 139 CB 0.0026 0.0107 0.0075 2130 ASN 139 CG 0.0027 0.0115 0.0084 2131 ASN 139 OD1 0.0036 0.0125 0.0107 2132 ASN 139 ND2 0.0012 0.0141 0.0083 2133 ALA 140 N 0.0042 0.0055 0.0051 2134 ALA 140 CA 0.0041 0.0042 0.0038 2135 ALA 140 C 0.0060 0.0023 0.0049 2136 ALA 140 O 0.0065 0.0016 0.0051 2137 ALA 140 CB 0.0032 0.0029 0.0011 2138 LEU 141 N 0.0073 0.0011 0.0059 2139 LEU 141 CA 0.0091 -0.0006 0.0072 2140 LEU 141 C 0.0097 0.0004 0.0092 2141 LEU 141 O 0.0112 -0.0008 0.0104 2142 LEU 141 CB 0.0101 -0.0021 0.0074 2143 LEU 141 CG 0.0100 -0.0040 0.0055 2144 LEU 141 CD1 0.0111 -0.0052 0.0061 2145 LEU 141 CD2 0.0109 -0.0062 0.0049 2146 ALA 142 N 0.0125 -0.0015 0.0091 2147 ALA 142 CA 0.0140 0.0005 0.0119 2148 ALA 142 C 0.0119 0.0026 0.0091 2149 ALA 142 O 0.0134 0.0039 0.0119 2150 ALA 142 CB 0.0151 0.0046 0.0147 2151 HIS 143 N 0.0099 0.0026 0.0058 2152 HIS 143 CA 0.0077 0.0055 0.0029 2153 HIS 143 C 0.0084 0.0037 0.0037 2154 HIS 143 O 0.0078 0.0066 0.0034 2155 HIS 143 CB 0.0054 0.0048 -0.0010 2156 HIS 143 CG 0.0031 0.0085 -0.0037 2157 HIS 143 ND1 0.0021 0.0039 -0.0065 2158 HIS 143 CD2 0.0034 0.0124 -0.0024 2159 HIS 143 CE1 0.0003 0.0102 -0.0079 2160 HIS 143 NE2 0.0015 0.0146 -0.0049 2161 LYS 144 N 0.0093 -0.0007 0.0041 2162 LYS 144 CA 0.0094 -0.0024 0.0039 2163 LYS 144 C 0.0118 -0.0024 0.0077 2164 LYS 144 O 0.0126 -0.0048 0.0084 2165 LYS 144 CB 0.0087 -0.0070 0.0015 2166 LYS 144 CG 0.0055 -0.0062 -0.0033 2167 LYS 144 CD 0.0040 -0.0054 -0.0056 2168 LYS 144 CE 0.0013 -0.0052 -0.0099 2169 LYS 144 NZ 0.0008 -0.0117 -0.0124 2170 TYR 145 N 0.0141 -0.0049 0.0055 2171 TYR 145 CA 0.0135 -0.0050 0.0044 2172 TYR 145 C 0.0132 -0.0056 0.0019 2173 TYR 145 O 0.0149 -0.0060 0.0016 2174 TYR 145 CB 0.0138 -0.0050 0.0047 2175 TYR 145 CG 0.0130 -0.0044 0.0066 2176 TYR 145 CD1 0.0117 -0.0042 0.0062 2177 TYR 145 CD2 0.0134 -0.0041 0.0082 2178 TYR 145 CE1 0.0109 -0.0037 0.0077 2179 TYR 145 CE2 0.0123 -0.0034 0.0101 2180 TYR 145 CZ 0.0111 -0.0032 0.0098 2181 TYR 145 OH 0.0106 -0.0027 0.0115 2182 HIS 146 N 0.0120 -0.0055 0.0010 2183 HIS 146 CA 0.0115 -0.0060 -0.0014 2184 HIS 146 C 0.0102 -0.0059 -0.0022 2185 HIS 146 O 0.0091 -0.0054 -0.0011 2186 HIS 146 CB 0.0112 -0.0060 -0.0016 2187 HIS 146 CG 0.0081 -0.0053 -0.0015 2188 HIS 146 ND1 0.0079 -0.0053 -0.0016 2189 HIS 146 CD2 0.0082 -0.0048 0.0009 2190 HIS 146 CE1 0.0056 -0.0045 -0.0004 2191 HIS 146 NE2 0.0062 -0.0044 0.0006 2192 HIS 146 OXT 0.0101 -0.0064 -0.0040 2193 VAL 1 N 0.0056 0.0074 0.0006 2194 VAL 1 CA 0.0078 0.0077 0.0076 2195 VAL 1 C 0.0087 0.0104 0.0048 2196 VAL 1 O 0.0095 0.0132 0.0016 2197 VAL 1 CB 0.0091 0.0102 0.0066 2198 VAL 1 CG1 0.0117 0.0120 0.0120 2199 VAL 1 CG2 0.0100 0.0081 0.0147 2200 LEU 2 N 0.0076 0.0082 0.0056 2201 LEU 2 CA 0.0072 0.0087 0.0034 2202 LEU 2 C 0.0102 0.0126 0.0055 2203 LEU 2 O 0.0102 0.0107 0.0096 2204 LEU 2 CB 0.0054 0.0055 0.0040 2205 LEU 2 CG 0.0026 0.0027 0.0000 2206 LEU 2 CD1 0.0007 -0.0006 0.0009 2207 LEU 2 CD2 0.0024 0.0041 -0.0038 2208 SER 3 N 0.0117 0.0158 0.0035 2209 SER 3 CA 0.0140 0.0187 0.0052 2210 SER 3 C 0.0132 0.0173 0.0058 2211 SER 3 O 0.0113 0.0151 0.0036 2212 SER 3 CB 0.0154 0.0222 0.0025 2213 SER 3 OG 0.0146 0.0226 -0.0013 2214 PRO 4 N 0.0132 0.0199 0.0174 2215 PRO 4 CA 0.0120 0.0184 0.0172 2216 PRO 4 C 0.0114 0.0185 0.0092 2217 PRO 4 O 0.0084 0.0149 0.0075 2218 PRO 4 CB 0.0157 0.0226 0.0217 2219 PRO 4 CG 0.0177 0.0245 0.0269 2220 PRO 4 CD 0.0167 0.0237 0.0229 2221 ALA 5 N 0.0143 0.0224 0.0064 2222 ALA 5 CA 0.0141 0.0229 -0.0012 2223 ALA 5 C 0.0092 0.0172 -0.0050 2224 ALA 5 O 0.0074 0.0155 -0.0098 2225 ALA 5 CB 0.0176 0.0278 -0.0058 2226 ASP 6 N 0.0090 0.0168 -0.0037 2227 ASP 6 CA 0.0050 0.0120 -0.0065 2228 ASP 6 C 0.0010 0.0069 -0.0052 2229 ASP 6 O -0.0022 0.0033 -0.0096 2230 ASP 6 CB 0.0044 0.0110 -0.0037 2231 ASP 6 CG 0.0076 0.0154 -0.0068 2232 ASP 6 OD1 0.0087 0.0174 -0.0136 2233 ASP 6 OD2 0.0086 0.0162 -0.0030 2234 LYS 7 N -0.0010 0.0057 -0.0025 2235 LYS 7 CA -0.0037 0.0037 -0.0021 2236 LYS 7 C -0.0043 0.0027 -0.0038 2237 LYS 7 O -0.0057 0.0012 -0.0051 2238 LYS 7 CB -0.0041 0.0042 0.0009 2239 LYS 7 CG -0.0035 0.0052 0.0027 2240 LYS 7 CD -0.0054 0.0049 0.0063 2241 LYS 7 CE -0.0039 0.0064 0.0077 2242 LYS 7 NZ -0.0035 0.0074 0.0099 2243 THR 8 N -0.0024 0.0040 -0.0045 2244 THR 8 CA -0.0026 0.0031 -0.0069 2245 THR 8 C -0.0028 0.0022 -0.0093 2246 THR 8 O -0.0040 0.0008 -0.0108 2247 THR 8 CB -0.0003 0.0050 -0.0069 2248 THR 8 OG1 -0.0009 0.0052 -0.0044 2249 THR 8 CG2 -0.0007 0.0041 -0.0086 2250 ASN 9 N -0.0013 0.0032 -0.0102 2251 ASN 9 CA -0.0011 0.0026 -0.0128 2252 ASN 9 C -0.0031 0.0009 -0.0130 2253 ASN 9 O -0.0040 -0.0005 -0.0151 2254 ASN 9 CB 0.0011 0.0041 -0.0134 2255 ASN 9 CG 0.0033 0.0056 -0.0145 2256 ASN 9 OD1 0.0032 0.0053 -0.0152 2257 ASN 9 ND2 0.0048 0.0070 -0.0138 2258 VAL 10 N -0.0058 -0.0008 -0.0087 2259 VAL 10 CA -0.0052 -0.0018 -0.0091 2260 VAL 10 C -0.0068 -0.0045 -0.0080 2261 VAL 10 O -0.0056 -0.0062 -0.0087 2262 VAL 10 CB -0.0054 0.0003 -0.0090 2263 VAL 10 CG1 -0.0047 -0.0006 -0.0094 2264 VAL 10 CG2 -0.0036 0.0023 -0.0102 2265 LYS 11 N -0.0088 -0.0041 -0.0067 2266 LYS 11 CA -0.0103 -0.0065 -0.0058 2267 LYS 11 C -0.0099 -0.0086 -0.0060 2268 LYS 11 O -0.0095 -0.0109 -0.0061 2269 LYS 11 CB -0.0125 -0.0054 -0.0044 2270 LYS 11 CG -0.0134 -0.0033 -0.0038 2271 LYS 11 CD -0.0159 -0.0030 -0.0022 2272 LYS 11 CE -0.0169 -0.0012 -0.0017 2273 LYS 11 NZ -0.0181 0.0019 -0.0010 2274 ALA 12 N -0.0093 -0.0081 -0.0064 2275 ALA 12 CA -0.0084 -0.0102 -0.0069 2276 ALA 12 C -0.0068 -0.0121 -0.0078 2277 ALA 12 O -0.0062 -0.0146 -0.0082 2278 ALA 12 CB -0.0081 -0.0100 -0.0071 2279 ALA 13 N -0.0074 -0.0059 -0.0027 2280 ALA 13 CA -0.0055 -0.0064 -0.0035 2281 ALA 13 C -0.0052 -0.0072 -0.0034 2282 ALA 13 O -0.0042 -0.0089 -0.0034 2283 ALA 13 CB -0.0045 -0.0049 -0.0045 2284 TRP 14 N -0.0058 -0.0061 -0.0034 2285 TRP 14 CA -0.0053 -0.0066 -0.0035 2286 TRP 14 C -0.0063 -0.0082 -0.0025 2287 TRP 14 O -0.0056 -0.0099 -0.0024 2288 TRP 14 CB -0.0062 -0.0052 -0.0035 2289 TRP 14 CG -0.0050 -0.0053 -0.0040 2290 TRP 14 CD1 -0.0060 -0.0061 -0.0033 2291 TRP 14 CD2 -0.0032 -0.0049 -0.0051 2292 TRP 14 NE1 -0.0044 -0.0058 -0.0042 2293 TRP 14 CE2 -0.0029 -0.0055 -0.0051 2294 TRP 14 CE3 -0.0021 -0.0044 -0.0058 2295 TRP 14 CZ2 -0.0012 -0.0055 -0.0059 2296 TRP 14 CZ3 -0.0002 -0.0043 -0.0068 2297 TRP 14 CH2 0.0000 -0.0051 -0.0066 2298 GLY 15 N -0.0076 -0.0088 -0.0017 2299 GLY 15 CA -0.0089 -0.0103 -0.0006 2300 GLY 15 C -0.0077 -0.0120 -0.0007 2301 GLY 15 O -0.0072 -0.0137 -0.0005 2302 LYS 16 N -0.0088 -0.0143 0.0075 2303 LYS 16 CA -0.0082 -0.0162 0.0108 2304 LYS 16 C -0.0042 -0.0138 0.0118 2305 LYS 16 O -0.0022 -0.0140 0.0141 2306 LYS 16 CB -0.0093 -0.0185 0.0129 2307 LYS 16 CG -0.0111 -0.0215 0.0152 2308 LYS 16 CD -0.0079 -0.0211 0.0182 2309 LYS 16 CE -0.0076 -0.0236 0.0221 2310 LYS 16 NZ -0.0039 -0.0220 0.0236 2311 VAL 17 N -0.0032 -0.0115 0.0094 2312 VAL 17 CA -0.0001 -0.0094 0.0098 2313 VAL 17 C 0.0010 -0.0089 0.0102 2314 VAL 17 O 0.0036 -0.0082 0.0121 2315 VAL 17 CB 0.0009 -0.0073 0.0079 2316 VAL 17 CG1 0.0035 -0.0052 0.0077 2317 VAL 17 CG2 0.0001 -0.0088 0.0092 2318 GLY 18 N -0.0005 -0.0078 0.0071 2319 GLY 18 CA 0.0007 -0.0070 0.0073 2320 GLY 18 C 0.0034 -0.0047 0.0068 2321 GLY 18 O 0.0051 -0.0025 0.0056 2322 ALA 19 N 0.0133 -0.0002 0.0141 2323 ALA 19 CA 0.0180 0.0013 0.0137 2324 ALA 19 C 0.0155 0.0018 0.0158 2325 ALA 19 O 0.0191 0.0026 0.0151 2326 ALA 19 CB 0.0227 0.0058 0.0177 2327 HIS 20 N 0.0086 0.0008 0.0181 2328 HIS 20 CA 0.0051 0.0006 0.0197 2329 HIS 20 C 0.0038 -0.0044 0.0133 2330 HIS 20 O 0.0004 -0.0050 0.0142 2331 HIS 20 CB -0.0016 0.0004 0.0231 2332 HIS 20 CG -0.0026 0.0048 0.0301 2333 HIS 20 ND1 0.0018 0.0088 0.0335 2334 HIS 20 CD2 -0.0017 0.0061 0.0315 2335 HIS 20 CE1 0.0031 0.0131 0.0391 2336 HIS 20 NE2 -0.0010 0.0099 0.0367 2337 ALA 21 N 0.0048 -0.0075 0.0081 2338 ALA 21 CA 0.0033 -0.0123 0.0020 2339 ALA 21 C 0.0060 -0.0123 0.0004 2340 ALA 21 O 0.0007 -0.0146 0.0001 2341 ALA 21 CB 0.0065 -0.0142 -0.0026 2342 GLY 22 N -0.0025 -0.0089 0.0116 2343 GLY 22 CA -0.0028 -0.0093 0.0114 2344 GLY 22 C -0.0039 -0.0088 0.0115 2345 GLY 22 O -0.0051 -0.0095 0.0110 2346 GLU 23 N -0.0046 -0.0074 0.0121 2347 GLU 23 CA -0.0059 -0.0068 0.0123 2348 GLU 23 C -0.0075 -0.0075 0.0118 2349 GLU 23 O -0.0087 -0.0077 0.0116 2350 GLU 23 CB -0.0060 -0.0051 0.0131 2351 GLU 23 CG -0.0071 -0.0045 0.0133 2352 GLU 23 CD -0.0063 -0.0024 0.0145 2353 GLU 23 OE1 -0.0087 -0.0023 0.0143 2354 GLU 23 OE2 -0.0058 -0.0027 0.0144 2355 TYR 24 N -0.0073 -0.0074 0.0119 2356 TYR 24 CA -0.0084 -0.0080 0.0115 2357 TYR 24 C -0.0089 -0.0096 0.0106 2358 TYR 24 O -0.0101 -0.0101 0.0102 2359 TYR 24 CB -0.0083 -0.0076 0.0116 2360 TYR 24 CG -0.0083 -0.0061 0.0124 2361 TYR 24 CD1 -0.0080 -0.0059 0.0125 2362 TYR 24 CD2 -0.0087 -0.0051 0.0129 2363 TYR 24 CE1 -0.0078 -0.0044 0.0133 2364 TYR 24 CE2 -0.0086 -0.0035 0.0137 2365 TYR 24 CZ -0.0083 -0.0036 0.0137 2366 TYR 24 OH -0.0081 -0.0021 0.0145 2367 GLY 25 N -0.0065 -0.0104 0.0089 2368 GLY 25 CA -0.0069 -0.0111 0.0097 2369 GLY 25 C -0.0081 -0.0114 0.0096 2370 GLY 25 O -0.0086 -0.0118 0.0100 2371 ALA 26 N -0.0090 -0.0112 0.0090 2372 ALA 26 CA -0.0102 -0.0113 0.0087 2373 ALA 26 C -0.0103 -0.0111 0.0084 2374 ALA 26 O -0.0110 -0.0113 0.0085 2375 ALA 26 CB -0.0110 -0.0110 0.0081 2376 GLU 27 N -0.0096 -0.0102 0.0076 2377 GLU 27 CA -0.0098 -0.0098 0.0071 2378 GLU 27 C -0.0093 -0.0103 0.0078 2379 GLU 27 O -0.0098 -0.0105 0.0078 2380 GLU 27 CB -0.0088 -0.0091 0.0064 2381 GLU 27 CG -0.0090 -0.0087 0.0059 2382 GLU 27 CD -0.0083 -0.0078 0.0051 2383 GLU 27 OE1 -0.0076 -0.0075 0.0050 2384 GLU 27 OE2 -0.0081 -0.0074 0.0047 2385 ALA 28 N -0.0106 -0.0137 0.0078 2386 ALA 28 CA -0.0110 -0.0134 0.0070 2387 ALA 28 C -0.0101 -0.0128 0.0065 2388 ALA 28 O -0.0101 -0.0127 0.0064 2389 ALA 28 CB -0.0119 -0.0133 0.0064 2390 LEU 29 N -0.0094 -0.0124 0.0063 2391 LEU 29 CA -0.0085 -0.0117 0.0058 2392 LEU 29 C -0.0078 -0.0118 0.0063 2393 LEU 29 O -0.0074 -0.0116 0.0061 2394 LEU 29 CB -0.0079 -0.0113 0.0054 2395 LEU 29 CG -0.0085 -0.0110 0.0046 2396 LEU 29 CD1 -0.0079 -0.0108 0.0046 2397 LEU 29 CD2 -0.0087 -0.0106 0.0037 2398 GLU 30 N -0.0074 -0.0123 0.0073 2399 GLU 30 CA -0.0068 -0.0125 0.0080 2400 GLU 30 C -0.0073 -0.0127 0.0080 2401 GLU 30 O -0.0067 -0.0125 0.0082 2402 GLU 30 CB -0.0065 -0.0130 0.0090 2403 GLU 30 CG -0.0057 -0.0131 0.0096 2404 GLU 30 CD -0.0050 -0.0136 0.0109 2405 GLU 30 OE1 -0.0055 -0.0137 0.0107 2406 GLU 30 OE2 -0.0045 -0.0135 0.0110 2407 ARG 31 N -0.0025 -0.0079 0.0017 2408 ARG 31 CA -0.0031 -0.0057 0.0003 2409 ARG 31 C -0.0033 -0.0058 -0.0011 2410 ARG 31 O -0.0037 -0.0052 -0.0032 2411 ARG 31 CB -0.0033 -0.0037 0.0020 2412 ARG 31 CG -0.0033 -0.0032 0.0026 2413 ARG 31 CD -0.0035 -0.0012 0.0042 2414 ARG 31 NE -0.0035 -0.0006 0.0051 2415 ARG 31 CZ -0.0039 0.0006 0.0038 2416 ARG 31 NH1 -0.0043 0.0012 0.0016 2417 ARG 31 NH2 -0.0038 0.0005 0.0047 2418 MET 32 N -0.0030 -0.0063 0.0002 2419 MET 32 CA -0.0031 -0.0065 -0.0007 2420 MET 32 C -0.0030 -0.0083 -0.0028 2421 MET 32 O -0.0034 -0.0076 -0.0047 2422 MET 32 CB -0.0027 -0.0071 0.0014 2423 MET 32 CG -0.0028 -0.0072 0.0004 2424 MET 32 SD -0.0023 -0.0081 0.0026 2425 MET 32 CE -0.0017 -0.0111 0.0028 2426 PHE 33 N -0.0025 -0.0105 -0.0025 2427 PHE 33 CA -0.0024 -0.0122 -0.0046 2428 PHE 33 C -0.0028 -0.0115 -0.0066 2429 PHE 33 O -0.0030 -0.0120 -0.0087 2430 PHE 33 CB -0.0018 -0.0145 -0.0037 2431 PHE 33 CG -0.0014 -0.0155 -0.0015 2432 PHE 33 CD1 -0.0014 -0.0156 -0.0017 2433 PHE 33 CD2 -0.0009 -0.0168 0.0001 2434 PHE 33 CE1 -0.0009 -0.0166 0.0001 2435 PHE 33 CE2 -0.0005 -0.0176 0.0019 2436 PHE 33 CZ -0.0005 -0.0175 0.0018 2437 LEU 34 N 0.0038 -0.0094 -0.0021 2438 LEU 34 CA 0.0028 -0.0083 -0.0040 2439 LEU 34 C 0.0011 -0.0060 -0.0056 2440 LEU 34 O 0.0004 -0.0058 -0.0082 2441 LEU 34 CB 0.0026 -0.0074 -0.0024 2442 LEU 34 CG 0.0043 -0.0097 -0.0011 2443 LEU 34 CD1 0.0041 -0.0088 0.0007 2444 LEU 34 CD2 0.0051 -0.0120 -0.0034 2445 SER 35 N 0.0004 -0.0041 -0.0039 2446 SER 35 CA -0.0012 -0.0020 -0.0055 2447 SER 35 C -0.0016 -0.0022 -0.0076 2448 SER 35 O -0.0028 -0.0009 -0.0095 2449 SER 35 CB -0.0021 0.0004 -0.0031 2450 SER 35 OG -0.0022 0.0013 -0.0014 2451 PHE 36 N -0.0003 -0.0042 -0.0071 2452 PHE 36 CA -0.0004 -0.0047 -0.0086 2453 PHE 36 C 0.0014 -0.0079 -0.0092 2454 PHE 36 O 0.0025 -0.0092 -0.0078 2455 PHE 36 CB -0.0005 -0.0037 -0.0067 2456 PHE 36 CG -0.0020 -0.0007 -0.0056 2457 PHE 36 CD1 -0.0018 0.0001 -0.0025 2458 PHE 36 CD2 -0.0037 0.0014 -0.0078 2459 PHE 36 CE1 -0.0031 0.0028 -0.0013 2460 PHE 36 CE2 -0.0048 0.0038 -0.0065 2461 PHE 36 CZ -0.0045 0.0045 -0.0033 2462 PRO 37 N 0.0069 -0.0130 -0.0141 2463 PRO 37 CA 0.0065 -0.0130 -0.0141 2464 PRO 37 C 0.0060 -0.0121 -0.0135 2465 PRO 37 O 0.0054 -0.0120 -0.0134 2466 PRO 37 CB 0.0074 -0.0132 -0.0143 2467 PRO 37 CG 0.0082 -0.0133 -0.0144 2468 PRO 37 CD 0.0078 -0.0133 -0.0144 2469 THR 38 N 0.0063 -0.0114 -0.0132 2470 THR 38 CA 0.0057 -0.0105 -0.0127 2471 THR 38 C 0.0047 -0.0106 -0.0126 2472 THR 38 O 0.0042 -0.0100 -0.0122 2473 THR 38 CB 0.0067 -0.0097 -0.0124 2474 THR 38 OG1 0.0061 -0.0099 -0.0124 2475 THR 38 CG2 0.0070 -0.0103 -0.0127 2476 THR 39 N 0.0044 -0.0111 -0.0128 2477 THR 39 CA 0.0033 -0.0113 -0.0127 2478 THR 39 C 0.0028 -0.0116 -0.0129 2479 THR 39 O 0.0018 -0.0114 -0.0126 2480 THR 39 CB 0.0030 -0.0119 -0.0131 2481 THR 39 OG1 0.0033 -0.0129 -0.0136 2482 THR 39 CG2 0.0036 -0.0115 -0.0129 2483 LYS 40 N 0.0045 -0.0108 -0.0137 2484 LYS 40 CA 0.0024 -0.0076 -0.0142 2485 LYS 40 C 0.0014 -0.0045 -0.0125 2486 LYS 40 O -0.0005 -0.0020 -0.0133 2487 LYS 40 CB 0.0032 -0.0075 -0.0122 2488 LYS 40 CG 0.0041 -0.0102 -0.0140 2489 LYS 40 CD 0.0053 -0.0099 -0.0108 2490 LYS 40 CE 0.0054 -0.0108 -0.0116 2491 LYS 40 NZ 0.0064 -0.0099 -0.0078 2492 THR 41 N 0.0025 -0.0050 -0.0105 2493 THR 41 CA 0.0017 -0.0020 -0.0083 2494 THR 41 C -0.0001 -0.0010 -0.0111 2495 THR 41 O -0.0017 0.0022 -0.0103 2496 THR 41 CB 0.0033 -0.0029 -0.0057 2497 THR 41 OG1 0.0038 -0.0051 -0.0074 2498 THR 41 CG2 0.0051 -0.0042 -0.0031 2499 TYR 42 N -0.0009 -0.0021 -0.0146 2500 TYR 42 CA -0.0026 -0.0010 -0.0171 2501 TYR 42 C -0.0046 0.0008 -0.0194 2502 TYR 42 O -0.0063 0.0021 -0.0217 2503 TYR 42 CB -0.0022 -0.0037 -0.0199 2504 TYR 42 CG -0.0004 -0.0051 -0.0175 2505 TYR 42 CD1 -0.0011 -0.0035 -0.0169 2506 TYR 42 CD2 0.0019 -0.0081 -0.0162 2507 TYR 42 CE1 0.0005 -0.0047 -0.0149 2508 TYR 42 CE2 0.0034 -0.0093 -0.0144 2509 TYR 42 CZ 0.0027 -0.0075 -0.0136 2510 TYR 42 OH 0.0042 -0.0090 -0.0119 2511 PHE 43 N -0.0064 0.0039 -0.0227 2512 PHE 43 CA -0.0069 0.0065 -0.0241 2513 PHE 43 C -0.0046 0.0103 -0.0192 2514 PHE 43 O -0.0040 0.0099 -0.0178 2515 PHE 43 CB -0.0077 0.0008 -0.0254 2516 PHE 43 CG -0.0098 -0.0032 -0.0298 2517 PHE 43 CD1 -0.0094 -0.0084 -0.0284 2518 PHE 43 CD2 -0.0121 -0.0022 -0.0352 2519 PHE 43 CE1 -0.0115 -0.0120 -0.0329 2520 PHE 43 CE2 -0.0139 -0.0061 -0.0389 2521 PHE 43 CZ -0.0140 -0.0112 -0.0387 2522 PRO 44 N -0.0038 0.0152 -0.0178 2523 PRO 44 CA -0.0015 0.0187 -0.0128 2524 PRO 44 C -0.0027 0.0235 -0.0158 2525 PRO 44 O -0.0010 0.0254 -0.0123 2526 PRO 44 CB -0.0010 0.0224 -0.0119 2527 PRO 44 CG -0.0033 0.0225 -0.0171 2528 PRO 44 CD -0.0049 0.0164 -0.0203 2529 HIS 45 N -0.0046 0.0239 -0.0203 2530 HIS 45 CA -0.0058 0.0276 -0.0234 2531 HIS 45 C -0.0064 0.0244 -0.0243 2532 HIS 45 O -0.0075 0.0277 -0.0272 2533 HIS 45 CB -0.0082 0.0296 -0.0287 2534 HIS 45 CG -0.0105 0.0261 -0.0338 2535 HIS 45 ND1 -0.0095 0.0216 -0.0312 2536 HIS 45 CD2 -0.0127 0.0246 -0.0386 2537 HIS 45 CE1 -0.0114 0.0192 -0.0353 2538 HIS 45 NE2 -0.0137 0.0203 -0.0404 2539 PHE 46 N -0.0078 0.0061 -0.0191 2540 PHE 46 CA -0.0083 0.0051 -0.0168 2541 PHE 46 C -0.0071 0.0054 -0.0116 2542 PHE 46 O -0.0075 0.0044 -0.0083 2543 PHE 46 CB -0.0126 0.0004 -0.0172 2544 PHE 46 CG -0.0132 0.0005 -0.0215 2545 PHE 46 CD1 -0.0161 -0.0027 -0.0217 2546 PHE 46 CD2 -0.0126 0.0022 -0.0266 2547 PHE 46 CE1 -0.0176 -0.0035 -0.0265 2548 PHE 46 CE2 -0.0137 0.0014 -0.0289 2549 PHE 46 CZ -0.0171 -0.0021 -0.0308 2550 ASP 47 N -0.0063 0.0057 -0.0078 2551 ASP 47 CA -0.0064 0.0045 -0.0024 2552 ASP 47 C -0.0102 -0.0001 -0.0006 2553 ASP 47 O -0.0114 -0.0009 -0.0036 2554 ASP 47 CB -0.0038 0.0070 -0.0006 2555 ASP 47 CG -0.0032 0.0065 0.0061 2556 ASP 47 OD1 -0.0058 0.0034 0.0068 2557 ASP 47 OD2 -0.0010 0.0086 0.0075 2558 LEU 48 N -0.0116 -0.0020 0.0009 2559 LEU 48 CA -0.0156 -0.0066 0.0015 2560 LEU 48 C -0.0160 -0.0079 0.0063 2561 LEU 48 O -0.0190 -0.0118 0.0084 2562 LEU 48 CB -0.0173 -0.0083 0.0005 2563 LEU 48 CG -0.0180 -0.0082 -0.0043 2564 LEU 48 CD1 -0.0196 -0.0097 -0.0057 2565 LEU 48 CD2 -0.0195 -0.0089 -0.0095 2566 SER 49 N -0.0263 0.0026 0.0288 2567 SER 49 CA -0.0269 0.0038 0.0288 2568 SER 49 C -0.0256 0.0027 0.0263 2569 SER 49 O -0.0246 0.0026 0.0237 2570 SER 49 CB -0.0287 0.0068 0.0298 2571 SER 49 OG -0.0292 0.0083 0.0289 2572 HIS 50 N -0.0253 0.0021 0.0264 2573 HIS 50 CA -0.0241 0.0014 0.0238 2574 HIS 50 C -0.0245 0.0041 0.0208 2575 HIS 50 O -0.0258 0.0061 0.0218 2576 HIS 50 CB -0.0238 0.0005 0.0244 2577 HIS 50 CG -0.0225 -0.0005 0.0219 2578 HIS 50 ND1 -0.0230 0.0015 0.0201 2579 HIS 50 CD2 -0.0210 -0.0021 0.0199 2580 HIS 50 CE1 -0.0217 0.0005 0.0177 2581 HIS 50 NE2 -0.0201 -0.0021 0.0169 2582 GLY 51 N -0.0234 0.0033 0.0185 2583 GLY 51 CA -0.0236 0.0053 0.0161 2584 GLY 51 C -0.0241 0.0068 0.0155 2585 GLY 51 O -0.0242 0.0085 0.0132 2586 SER 52 N -0.0232 0.0013 0.0260 2587 SER 52 CA -0.0186 0.0026 0.0199 2588 SER 52 C -0.0173 0.0028 0.0170 2589 SER 52 O -0.0213 0.0005 0.0150 2590 SER 52 CB -0.0204 0.0010 0.0156 2591 SER 52 OG -0.0165 0.0021 0.0102 2592 ALA 53 N -0.0122 0.0052 0.0161 2593 ALA 53 CA -0.0104 0.0054 0.0116 2594 ALA 53 C -0.0125 0.0032 0.0049 2595 ALA 53 O -0.0131 0.0025 0.0024 2596 ALA 53 CB -0.0051 0.0083 0.0136 2597 GLN 54 N -0.0115 0.0035 0.0036 2598 GLN 54 CA -0.0125 0.0019 -0.0037 2599 GLN 54 C -0.0196 -0.0019 -0.0049 2600 GLN 54 O -0.0207 -0.0031 -0.0097 2601 GLN 54 CB -0.0114 0.0020 -0.0062 2602 GLN 54 CG -0.0056 0.0048 -0.0071 2603 GLN 54 CD -0.0037 0.0054 -0.0092 2604 GLN 54 OE1 -0.0059 0.0048 -0.0059 2605 GLN 54 NE2 -0.0013 0.0057 -0.0151 2606 VAL 55 N -0.0166 -0.0042 0.0024 2607 VAL 55 CA -0.0207 -0.0060 0.0020 2608 VAL 55 C -0.0196 -0.0050 0.0030 2609 VAL 55 O -0.0210 -0.0064 0.0015 2610 VAL 55 CB -0.0242 -0.0057 0.0046 2611 VAL 55 CG1 -0.0277 -0.0069 0.0048 2612 VAL 55 CG2 -0.0249 -0.0069 0.0031 2613 LYS 56 N -0.0176 -0.0024 0.0059 2614 LYS 56 CA -0.0168 -0.0015 0.0070 2615 LYS 56 C -0.0146 -0.0022 0.0044 2616 LYS 56 O -0.0149 -0.0032 0.0030 2617 LYS 56 CB -0.0145 0.0014 0.0103 2618 LYS 56 CG -0.0176 0.0025 0.0140 2619 LYS 56 CD -0.0146 0.0055 0.0172 2620 LYS 56 CE -0.0186 0.0064 0.0211 2621 LYS 56 NZ -0.0147 0.0093 0.0234 2622 GLY 57 N -0.0115 -0.0026 0.0019 2623 GLY 57 CA -0.0088 -0.0034 -0.0011 2624 GLY 57 C -0.0106 -0.0061 -0.0044 2625 GLY 57 O -0.0098 -0.0070 -0.0064 2626 HIS 58 N -0.0073 -0.0052 -0.0039 2627 HIS 58 CA -0.0087 -0.0077 -0.0058 2628 HIS 58 C -0.0104 -0.0074 -0.0049 2629 HIS 58 O -0.0102 -0.0090 -0.0066 2630 HIS 58 CB -0.0108 -0.0090 -0.0064 2631 HIS 58 CG -0.0120 -0.0114 -0.0084 2632 HIS 58 ND1 -0.0097 -0.0127 -0.0105 2633 HIS 58 CD2 -0.0146 -0.0127 -0.0087 2634 HIS 58 CE1 -0.0119 -0.0148 -0.0118 2635 HIS 58 NE2 -0.0151 -0.0150 -0.0108 2636 GLY 59 N -0.0119 -0.0059 -0.0029 2637 GLY 59 CA -0.0133 -0.0058 -0.0022 2638 GLY 59 C -0.0115 -0.0052 -0.0023 2639 GLY 59 O -0.0122 -0.0064 -0.0032 2640 LYS 60 N -0.0087 -0.0038 -0.0019 2641 LYS 60 CA -0.0063 -0.0034 -0.0025 2642 LYS 60 C -0.0053 -0.0054 -0.0049 2643 LYS 60 O -0.0049 -0.0060 -0.0056 2644 LYS 60 CB -0.0037 -0.0011 -0.0012 2645 LYS 60 CG -0.0018 -0.0010 -0.0018 2646 LYS 60 CD 0.0007 0.0014 -0.0003 2647 LYS 60 CE 0.0015 0.0017 -0.0004 2648 LYS 60 NZ 0.0048 -0.0000 -0.0034 2649 LYS 61 N -0.0046 -0.0092 -0.0069 2650 LYS 61 CA -0.0037 -0.0106 -0.0069 2651 LYS 61 C -0.0039 -0.0111 -0.0070 2652 LYS 61 O -0.0027 -0.0115 -0.0069 2653 LYS 61 CB -0.0044 -0.0120 -0.0071 2654 LYS 61 CG -0.0038 -0.0120 -0.0071 2655 LYS 61 CD -0.0042 -0.0132 -0.0072 2656 LYS 61 CE -0.0033 -0.0128 -0.0070 2657 LYS 61 NZ -0.0048 -0.0145 -0.0074 2658 VAL 62 N -0.0055 -0.0108 -0.0072 2659 VAL 62 CA -0.0058 -0.0110 -0.0072 2660 VAL 62 C -0.0049 -0.0100 -0.0070 2661 VAL 62 O -0.0040 -0.0105 -0.0070 2662 VAL 62 CB -0.0077 -0.0109 -0.0075 2663 VAL 62 CG1 -0.0081 -0.0108 -0.0075 2664 VAL 62 CG2 -0.0084 -0.0123 -0.0077 2665 ALA 63 N -0.0049 -0.0085 -0.0069 2666 ALA 63 CA -0.0041 -0.0071 -0.0067 2667 ALA 63 C -0.0025 -0.0075 -0.0066 2668 ALA 63 O -0.0016 -0.0073 -0.0064 2669 ALA 63 CB -0.0045 -0.0055 -0.0067 2670 ASP 64 N -0.0004 -0.0067 -0.0080 2671 ASP 64 CA -0.0004 -0.0067 -0.0077 2672 ASP 64 C -0.0004 -0.0066 -0.0076 2673 ASP 64 O -0.0004 -0.0065 -0.0074 2674 ASP 64 CB -0.0003 -0.0071 -0.0076 2675 ASP 64 CG -0.0003 -0.0073 -0.0075 2676 ASP 64 OD1 -0.0003 -0.0071 -0.0076 2677 ASP 64 OD2 -0.0003 -0.0075 -0.0075 2678 ALA 65 N -0.0004 -0.0066 -0.0078 2679 ALA 65 CA -0.0004 -0.0065 -0.0078 2680 ALA 65 C -0.0005 -0.0061 -0.0077 2681 ALA 65 O -0.0005 -0.0060 -0.0075 2682 ALA 65 CB -0.0004 -0.0065 -0.0080 2683 LEU 66 N -0.0005 -0.0060 -0.0079 2684 LEU 66 CA -0.0005 -0.0057 -0.0079 2685 LEU 66 C -0.0005 -0.0056 -0.0076 2686 LEU 66 O -0.0005 -0.0053 -0.0075 2687 LEU 66 CB -0.0006 -0.0056 -0.0082 2688 LEU 66 CG -0.0006 -0.0056 -0.0085 2689 LEU 66 CD1 -0.0006 -0.0056 -0.0087 2690 LEU 66 CD2 -0.0006 -0.0053 -0.0085 2691 THR 67 N 0.0021 -0.0058 -0.0088 2692 THR 67 CA 0.0007 -0.0069 -0.0099 2693 THR 67 C -0.0006 -0.0058 -0.0106 2694 THR 67 O -0.0014 -0.0067 -0.0113 2695 THR 67 CB 0.0004 -0.0070 -0.0101 2696 THR 67 OG1 0.0016 -0.0081 -0.0094 2697 THR 67 CG2 -0.0012 -0.0079 -0.0113 2698 ASN 68 N -0.0008 -0.0039 -0.0106 2699 ASN 68 CA -0.0019 -0.0030 -0.0112 2700 ASN 68 C -0.0017 -0.0031 -0.0110 2701 ASN 68 O -0.0030 -0.0031 -0.0120 2702 ASN 68 CB -0.0020 -0.0010 -0.0110 2703 ASN 68 CG -0.0033 0.0003 -0.0117 2704 ASN 68 OD1 -0.0042 0.0000 -0.0124 2705 ASN 68 ND2 -0.0029 0.0023 -0.0112 2706 ALA 69 N -0.0003 -0.0030 -0.0101 2707 ALA 69 CA 0.0000 -0.0033 -0.0099 2708 ALA 69 C -0.0006 -0.0052 -0.0106 2709 ALA 69 O -0.0011 -0.0051 -0.0109 2710 ALA 69 CB 0.0016 -0.0030 -0.0087 2711 VAL 70 N -0.0027 -0.0048 -0.0097 2712 VAL 70 CA -0.0026 -0.0060 -0.0104 2713 VAL 70 C -0.0022 -0.0058 -0.0128 2714 VAL 70 O -0.0022 -0.0074 -0.0133 2715 VAL 70 CB -0.0028 -0.0054 -0.0095 2716 VAL 70 CG1 -0.0027 -0.0066 -0.0101 2717 VAL 70 CG2 -0.0032 -0.0058 -0.0074 2718 ALA 71 N -0.0020 -0.0045 -0.0132 2719 ALA 71 CA -0.0016 -0.0040 -0.0154 2720 ALA 71 C -0.0016 -0.0052 -0.0160 2721 ALA 71 O -0.0013 -0.0056 -0.0177 2722 ALA 71 CB -0.0014 -0.0023 -0.0156 2723 HIS 72 N -0.0017 -0.0054 -0.0155 2724 HIS 72 CA -0.0017 -0.0063 -0.0158 2725 HIS 72 C -0.0019 -0.0077 -0.0155 2726 HIS 72 O -0.0020 -0.0083 -0.0151 2727 HIS 72 CB -0.0015 -0.0047 -0.0161 2728 HIS 72 CG -0.0013 -0.0034 -0.0169 2729 HIS 72 ND1 -0.0008 -0.0029 -0.0192 2730 HIS 72 CD2 -0.0011 -0.0015 -0.0167 2731 HIS 72 CE1 -0.0007 -0.0015 -0.0193 2732 HIS 72 NE2 -0.0008 -0.0002 -0.0182 2733 VAL 73 N 0.0004 0.0005 -0.0094 2734 VAL 73 CA -0.0013 -0.0007 -0.0092 2735 VAL 73 C -0.0015 -0.0029 -0.0109 2736 VAL 73 O -0.0029 -0.0039 -0.0107 2737 VAL 73 CB -0.0032 -0.0004 -0.0074 2738 VAL 73 CG1 -0.0022 -0.0002 -0.0080 2739 VAL 73 CG2 -0.0048 -0.0014 -0.0070 2740 ASP 74 N -0.0001 -0.0028 -0.0120 2741 ASP 74 CA -0.0002 -0.0048 -0.0137 2742 ASP 74 C 0.0005 -0.0056 -0.0150 2743 ASP 74 O 0.0007 -0.0066 -0.0160 2744 ASP 74 CB 0.0007 -0.0046 -0.0142 2745 ASP 74 CG 0.0002 -0.0042 -0.0134 2746 ASP 74 OD1 -0.0019 -0.0048 -0.0123 2747 ASP 74 OD2 0.0006 -0.0032 -0.0129 2748 ASP 75 N 0.0014 -0.0042 -0.0145 2749 ASP 75 CA 0.0025 -0.0048 -0.0158 2750 ASP 75 C 0.0024 -0.0034 -0.0145 2751 ASP 75 O 0.0036 -0.0030 -0.0151 2752 ASP 75 CB 0.0046 -0.0040 -0.0168 2753 ASP 75 CG 0.0061 -0.0045 -0.0184 2754 ASP 75 OD1 0.0054 -0.0061 -0.0193 2755 ASP 75 OD2 0.0072 -0.0027 -0.0178 2756 MET 76 N 0.0040 -0.0015 -0.0088 2757 MET 76 CA 0.0023 0.0009 -0.0062 2758 MET 76 C 0.0016 0.0015 -0.0050 2759 MET 76 O 0.0006 0.0044 -0.0045 2760 MET 76 CB 0.0018 -0.0007 -0.0038 2761 MET 76 CG 0.0021 0.0001 -0.0051 2762 MET 76 SD 0.0007 -0.0009 -0.0008 2763 MET 76 CE 0.0017 -0.0050 -0.0003 2764 PRO 77 N 0.0021 -0.0010 -0.0044 2765 PRO 77 CA 0.0014 0.0003 -0.0034 2766 PRO 77 C 0.0011 0.0028 -0.0046 2767 PRO 77 O 0.0000 0.0051 -0.0035 2768 PRO 77 CB 0.0023 -0.0034 -0.0029 2769 PRO 77 CG 0.0032 -0.0063 -0.0031 2770 PRO 77 CD 0.0034 -0.0044 -0.0052 2771 ASN 78 N 0.0022 0.0033 -0.0079 2772 ASN 78 CA 0.0022 0.0063 -0.0100 2773 ASN 78 C 0.0014 0.0090 -0.0099 2774 ASN 78 O 0.0004 0.0119 -0.0096 2775 ASN 78 CB 0.0039 0.0050 -0.0135 2776 ASN 78 CG 0.0039 0.0082 -0.0158 2777 ASN 78 OD1 0.0030 0.0092 -0.0143 2778 ASN 78 ND2 0.0041 0.0103 -0.0179 2779 ALA 79 N 0.0032 0.0045 -0.0080 2780 ALA 79 CA 0.0021 0.0072 -0.0083 2781 ALA 79 C 0.0006 0.0094 -0.0045 2782 ALA 79 O -0.0006 0.0125 -0.0049 2783 ALA 79 CB 0.0027 0.0058 -0.0089 2784 LEU 80 N 0.0011 0.0072 -0.0013 2785 LEU 80 CA -0.0001 0.0089 0.0025 2786 LEU 80 C -0.0007 0.0096 0.0050 2787 LEU 80 O -0.0016 0.0107 0.0081 2788 LEU 80 CB 0.0007 0.0062 0.0051 2789 LEU 80 CG 0.0016 0.0047 0.0036 2790 LEU 80 CD1 0.0022 0.0022 0.0065 2791 LEU 80 CD2 0.0003 0.0079 0.0030 2792 SER 81 N -0.0005 0.0100 0.0025 2793 SER 81 CA -0.0011 0.0106 0.0047 2794 SER 81 C -0.0029 0.0142 0.0068 2795 SER 81 O -0.0033 0.0142 0.0100 2796 SER 81 CB -0.0008 0.0112 0.0006 2797 SER 81 OG -0.0008 0.0105 0.0030 2798 ALA 82 N 0.0019 0.0106 0.0093 2799 ALA 82 CA 0.0021 0.0115 0.0098 2800 ALA 82 C 0.0019 0.0116 0.0110 2801 ALA 82 O 0.0019 0.0121 0.0117 2802 ALA 82 CB 0.0025 0.0126 0.0095 2803 LEU 83 N 0.0015 0.0110 0.0118 2804 LEU 83 CA 0.0013 0.0111 0.0130 2805 LEU 83 C 0.0009 0.0101 0.0133 2806 LEU 83 O 0.0008 0.0104 0.0142 2807 LEU 83 CB 0.0010 0.0105 0.0134 2808 LEU 83 CG 0.0013 0.0116 0.0138 2809 LEU 83 CD1 0.0010 0.0110 0.0144 2810 LEU 83 CD2 0.0016 0.0126 0.0144 2811 SER 84 N 0.0008 0.0093 0.0126 2812 SER 84 CA 0.0005 0.0085 0.0128 2813 SER 84 C 0.0007 0.0091 0.0127 2814 SER 84 O 0.0005 0.0090 0.0133 2815 SER 84 CB 0.0002 0.0073 0.0119 2816 SER 84 OG 0.0002 0.0072 0.0118 2817 ASP 85 N -0.0003 0.0065 0.0136 2818 ASP 85 CA 0.0007 0.0049 0.0122 2819 ASP 85 C 0.0015 0.0034 0.0105 2820 ASP 85 O 0.0019 0.0029 0.0086 2821 ASP 85 CB 0.0011 0.0036 0.0141 2822 ASP 85 CG 0.0003 0.0049 0.0154 2823 ASP 85 OD1 -0.0004 0.0065 0.0150 2824 ASP 85 OD2 0.0007 0.0037 0.0176 2825 LEU 86 N 0.0018 0.0026 0.0115 2826 LEU 86 CA 0.0027 0.0010 0.0102 2827 LEU 86 C 0.0026 0.0016 0.0076 2828 LEU 86 O 0.0031 0.0009 0.0056 2829 LEU 86 CB 0.0030 0.0001 0.0118 2830 LEU 86 CG 0.0041 -0.0020 0.0109 2831 LEU 86 CD1 0.0051 -0.0041 0.0105 2832 LEU 86 CD2 0.0042 -0.0025 0.0124 2833 HIS 87 N 0.0015 0.0038 0.0078 2834 HIS 87 CA 0.0013 0.0047 0.0056 2835 HIS 87 C 0.0010 0.0057 0.0033 2836 HIS 87 O 0.0014 0.0053 0.0012 2837 HIS 87 CB 0.0003 0.0069 0.0058 2838 HIS 87 CG 0.0005 0.0060 0.0072 2839 HIS 87 ND1 0.0007 0.0053 0.0095 2840 HIS 87 CD2 0.0009 0.0055 0.0061 2841 HIS 87 CE1 0.0010 0.0045 0.0100 2842 HIS 87 NE2 0.0010 0.0048 0.0082 2843 ALA 88 N 0.0016 0.0051 0.0031 2844 ALA 88 CA 0.0016 0.0064 0.0024 2845 ALA 88 C 0.0018 0.0031 0.0006 2846 ALA 88 O 0.0020 0.0040 -0.0014 2847 ALA 88 CB 0.0014 0.0087 0.0053 2848 HIS 89 N 0.0016 0.0003 0.0032 2849 HIS 89 CA 0.0017 -0.0031 0.0031 2850 HIS 89 C 0.0019 -0.0062 0.0009 2851 HIS 89 O 0.0020 -0.0080 -0.0005 2852 HIS 89 CB 0.0014 -0.0035 0.0071 2853 HIS 89 CG 0.0012 0.0003 0.0085 2854 HIS 89 ND1 0.0013 0.0024 0.0068 2855 HIS 89 CD2 0.0010 0.0013 0.0117 2856 HIS 89 CE1 0.0011 0.0049 0.0092 2857 HIS 89 NE2 0.0009 0.0049 0.0122 2858 LYS 90 N 0.0020 -0.0069 0.0001 2859 LYS 90 CA 0.0021 -0.0101 -0.0009 2860 LYS 90 C 0.0024 -0.0094 -0.0050 2861 LYS 90 O 0.0027 -0.0104 -0.0081 2862 LYS 90 CB 0.0019 -0.0130 0.0014 2863 LYS 90 CG 0.0022 -0.0158 -0.0017 2864 LYS 90 CD 0.0019 -0.0184 0.0023 2865 LYS 90 CE 0.0022 -0.0227 -0.0009 2866 LYS 90 NZ 0.0019 -0.0257 0.0037 2867 LEU 91 N 0.0048 -0.0034 -0.0077 2868 LEU 91 CA 0.0055 -0.0039 -0.0074 2869 LEU 91 C 0.0051 -0.0026 -0.0090 2870 LEU 91 O 0.0063 -0.0028 -0.0095 2871 LEU 91 CB 0.0041 -0.0047 -0.0054 2872 LEU 91 CG 0.0043 -0.0057 -0.0041 2873 LEU 91 CD1 0.0029 -0.0064 -0.0021 2874 LEU 91 CD2 0.0066 -0.0068 -0.0039 2875 ARG 92 N 0.0032 -0.0015 -0.0094 2876 ARG 92 CA 0.0028 -0.0002 -0.0110 2877 ARG 92 C 0.0031 -0.0005 -0.0109 2878 ARG 92 O 0.0038 -0.0001 -0.0119 2879 ARG 92 CB 0.0043 0.0004 -0.0129 2880 ARG 92 CG 0.0033 0.0012 -0.0134 2881 ARG 92 CD 0.0048 0.0016 -0.0151 2882 ARG 92 NE 0.0037 0.0025 -0.0156 2883 ARG 92 CZ 0.0079 0.0018 -0.0172 2884 ARG 92 NH1 0.0087 -0.0002 -0.0149 2885 ARG 92 NH2 0.0064 0.0024 -0.0172 2886 VAL 93 N 0.0020 -0.0013 -0.0090 2887 VAL 93 CA 0.0020 -0.0016 -0.0085 2888 VAL 93 C 0.0003 -0.0003 -0.0093 2889 VAL 93 O -0.0015 0.0004 -0.0092 2890 VAL 93 CB 0.0010 -0.0027 -0.0062 2891 VAL 93 CG1 0.0006 -0.0030 -0.0056 2892 VAL 93 CG2 0.0025 -0.0040 -0.0054 2893 ASP 94 N 0.0048 -0.0034 -0.0083 2894 ASP 94 CA 0.0042 -0.0025 -0.0087 2895 ASP 94 C 0.0035 -0.0018 -0.0078 2896 ASP 94 O 0.0036 -0.0019 -0.0073 2897 ASP 94 CB 0.0041 -0.0022 -0.0099 2898 ASP 94 CG 0.0035 -0.0013 -0.0106 2899 ASP 94 OD1 0.0036 -0.0013 -0.0113 2900 ASP 94 OD2 0.0029 -0.0006 -0.0102 2901 PRO 95 N 0.0030 -0.0010 -0.0078 2902 PRO 95 CA 0.0023 -0.0003 -0.0069 2903 PRO 95 C 0.0020 0.0001 -0.0070 2904 PRO 95 O 0.0017 0.0003 -0.0060 2905 PRO 95 CB 0.0018 0.0004 -0.0071 2906 PRO 95 CG 0.0023 -0.0001 -0.0075 2907 PRO 95 CD 0.0029 -0.0008 -0.0084 2908 VAL 96 N 0.0020 0.0002 -0.0079 2909 VAL 96 CA 0.0017 0.0007 -0.0080 2910 VAL 96 C 0.0020 0.0001 -0.0072 2911 VAL 96 O 0.0017 0.0005 -0.0067 2912 VAL 96 CB 0.0019 0.0006 -0.0093 2913 VAL 96 CG1 0.0016 0.0011 -0.0100 2914 VAL 96 CG2 0.0025 -0.0001 -0.0098 2915 ASN 97 N 0.0024 0.0026 -0.0063 2916 ASN 97 CA 0.0029 0.0008 -0.0052 2917 ASN 97 C 0.0021 0.0013 -0.0022 2918 ASN 97 O 0.0023 0.0002 -0.0013 2919 ASN 97 CB 0.0040 -0.0020 -0.0055 2920 ASN 97 CG 0.0050 -0.0030 -0.0089 2921 ASN 97 OD1 0.0054 -0.0031 -0.0109 2922 ASN 97 ND2 0.0052 -0.0030 -0.0098 2923 PHE 98 N 0.0013 0.0024 -0.0004 2924 PHE 98 CA 0.0005 0.0030 0.0027 2925 PHE 98 C -0.0003 0.0052 0.0028 2926 PHE 98 O -0.0005 0.0047 0.0047 2927 PHE 98 CB -0.0002 0.0040 0.0048 2928 PHE 98 CG 0.0006 0.0015 0.0052 2929 PHE 98 CD1 0.0008 -0.0003 0.0079 2930 PHE 98 CD2 0.0013 0.0008 0.0031 2931 PHE 98 CE1 0.0015 -0.0026 0.0088 2932 PHE 98 CE2 0.0020 -0.0017 0.0043 2933 PHE 98 CZ 0.0022 -0.0034 0.0069 2934 LYS 99 N -0.0006 0.0071 0.0005 2935 LYS 99 CA -0.0014 0.0091 0.0003 2936 LYS 99 C -0.0009 0.0079 0.0001 2937 LYS 99 O -0.0013 0.0088 0.0006 2938 LYS 99 CB -0.0021 0.0120 -0.0019 2939 LYS 99 CG -0.0019 0.0122 -0.0036 2940 LYS 99 CD -0.0026 0.0155 -0.0061 2941 LYS 99 CE -0.0013 0.0138 -0.0095 2942 LYS 99 NZ -0.0011 0.0149 -0.0129 2943 LEU 100 N 0.0006 0.0052 0.0016 2944 LEU 100 CA 0.0005 0.0036 -0.0008 2945 LEU 100 C 0.0003 0.0023 0.0009 2946 LEU 100 O 0.0004 0.0027 0.0001 2947 LEU 100 CB 0.0004 0.0017 -0.0032 2948 LEU 100 CG 0.0006 0.0029 -0.0045 2949 LEU 100 CD1 0.0004 0.0006 -0.0068 2950 LEU 100 CD2 0.0010 0.0057 -0.0061 2951 LEU 101 N -0.0000 0.0004 0.0033 2952 LEU 101 CA -0.0002 -0.0011 0.0047 2953 LEU 101 C -0.0000 0.0015 0.0066 2954 LEU 101 O -0.0001 0.0010 0.0066 2955 LEU 101 CB -0.0006 -0.0034 0.0073 2956 LEU 101 CG -0.0008 -0.0048 0.0091 2957 LEU 101 CD1 -0.0009 -0.0063 0.0070 2958 LEU 101 CD2 -0.0012 -0.0073 0.0110 2959 SER 102 N 0.0002 0.0039 0.0079 2960 SER 102 CA 0.0003 0.0060 0.0098 2961 SER 102 C 0.0006 0.0076 0.0073 2962 SER 102 O 0.0006 0.0082 0.0085 2963 SER 102 CB 0.0005 0.0084 0.0109 2964 SER 102 OG 0.0003 0.0072 0.0133 2965 HIS 103 N 0.0022 0.0060 0.0068 2966 HIS 103 CA 0.0024 0.0069 0.0056 2967 HIS 103 C 0.0022 0.0057 0.0052 2968 HIS 103 O 0.0023 0.0062 0.0051 2969 HIS 103 CB 0.0025 0.0071 0.0039 2970 HIS 103 CG 0.0027 0.0078 0.0025 2971 HIS 103 ND1 0.0026 0.0066 0.0009 2972 HIS 103 CD2 0.0028 0.0092 0.0023 2973 HIS 103 CE1 0.0028 0.0079 -0.0000 2974 HIS 103 NE2 0.0030 0.0095 0.0007 2975 CYS 104 N 0.0020 0.0040 0.0049 2976 CYS 104 CA 0.0019 0.0026 0.0045 2977 CYS 104 C 0.0018 0.0025 0.0061 2978 CYS 104 O 0.0018 0.0021 0.0057 2979 CYS 104 CB 0.0017 0.0009 0.0039 2980 CYS 104 SG 0.0018 0.0012 0.0018 2981 LEU 105 N 0.0017 0.0026 0.0076 2982 LEU 105 CA 0.0017 0.0026 0.0089 2983 LEU 105 C 0.0019 0.0042 0.0089 2984 LEU 105 O 0.0018 0.0040 0.0094 2985 LEU 105 CB 0.0016 0.0025 0.0106 2986 LEU 105 CG 0.0014 0.0019 0.0122 2987 LEU 105 CD1 0.0011 -0.0004 0.0121 2988 LEU 105 CD2 0.0013 0.0017 0.0133 2989 LEU 106 N 0.0041 0.0078 0.0054 2990 LEU 106 CA 0.0037 0.0078 0.0057 2991 LEU 106 C 0.0042 0.0072 0.0057 2992 LEU 106 O 0.0038 0.0068 0.0062 2993 LEU 106 CB 0.0034 0.0087 0.0054 2994 LEU 106 CG 0.0027 0.0094 0.0054 2995 LEU 106 CD1 0.0028 0.0101 0.0050 2996 LEU 106 CD2 0.0019 0.0092 0.0061 2997 VAL 107 N 0.0049 0.0071 0.0053 2998 VAL 107 CA 0.0055 0.0065 0.0052 2999 VAL 107 C 0.0055 0.0056 0.0058 3000 VAL 107 O 0.0053 0.0051 0.0062 3001 VAL 107 CB 0.0063 0.0066 0.0046 3002 VAL 107 CG1 0.0068 0.0058 0.0047 3003 VAL 107 CG2 0.0063 0.0074 0.0041 3004 THR 108 N 0.0054 0.0054 0.0059 3005 THR 108 CA 0.0055 0.0046 0.0064 3006 THR 108 C 0.0046 0.0045 0.0071 3007 THR 108 O 0.0047 0.0038 0.0075 3008 THR 108 CB 0.0056 0.0045 0.0064 3009 THR 108 OG1 0.0062 0.0047 0.0058 3010 THR 108 CG2 0.0055 0.0037 0.0069 3011 LEU 109 N 0.0068 0.0048 0.0079 3012 LEU 109 CA 0.0065 0.0044 0.0075 3013 LEU 109 C 0.0068 0.0038 0.0075 3014 LEU 109 O 0.0067 0.0034 0.0072 3015 LEU 109 CB 0.0063 0.0046 0.0074 3016 LEU 109 CG 0.0059 0.0051 0.0072 3017 LEU 109 CD1 0.0058 0.0052 0.0073 3018 LEU 109 CD2 0.0056 0.0051 0.0070 3019 ALA 110 N 0.0073 0.0038 0.0079 3020 ALA 110 CA 0.0077 0.0032 0.0079 3021 ALA 110 C 0.0077 0.0030 0.0078 3022 ALA 110 O 0.0078 0.0025 0.0077 3023 ALA 110 CB 0.0081 0.0033 0.0084 3024 ALA 111 N 0.0077 0.0033 0.0080 3025 ALA 111 CA 0.0078 0.0032 0.0080 3026 ALA 111 C 0.0074 0.0030 0.0076 3027 ALA 111 O 0.0075 0.0028 0.0076 3028 ALA 111 CB 0.0079 0.0037 0.0083 3029 HIS 112 N 0.0048 -0.0009 0.0107 3030 HIS 112 CA 0.0041 -0.0006 0.0091 3031 HIS 112 C 0.0043 -0.0020 0.0078 3032 HIS 112 O 0.0038 -0.0019 0.0064 3033 HIS 112 CB 0.0032 0.0010 0.0086 3034 HIS 112 CG 0.0030 0.0021 0.0095 3035 HIS 112 ND1 0.0030 0.0033 0.0113 3036 HIS 112 CD2 0.0025 0.0031 0.0094 3037 HIS 112 CE1 0.0027 0.0043 0.0117 3038 HIS 112 NE2 0.0024 0.0043 0.0106 3039 LEU 113 N 0.0047 -0.0029 0.0077 3040 LEU 113 CA 0.0049 -0.0042 0.0066 3041 LEU 113 C 0.0059 -0.0059 0.0073 3042 LEU 113 O 0.0061 -0.0066 0.0069 3043 LEU 113 CB 0.0047 -0.0039 0.0063 3044 LEU 113 CG 0.0038 -0.0026 0.0055 3045 LEU 113 CD1 0.0040 -0.0030 0.0056 3046 LEU 113 CD2 0.0032 -0.0021 0.0044 3047 PRO 114 N 0.0062 -0.0066 0.0073 3048 PRO 114 CA 0.0072 -0.0082 0.0081 3049 PRO 114 C 0.0074 -0.0097 0.0065 3050 PRO 114 O 0.0077 -0.0101 0.0070 3051 PRO 114 CB 0.0071 -0.0076 0.0085 3052 PRO 114 CG 0.0063 -0.0072 0.0066 3053 PRO 114 CD 0.0056 -0.0055 0.0068 3054 ALA 115 N 0.0044 -0.0136 0.0063 3055 ALA 115 CA 0.0019 -0.0138 0.0061 3056 ALA 115 C 0.0005 -0.0118 0.0054 3057 ALA 115 O -0.0013 -0.0114 0.0050 3058 ALA 115 CB -0.0004 -0.0165 0.0067 3059 GLU 116 N 0.0003 -0.0096 0.0046 3060 GLU 116 CA -0.0020 -0.0074 0.0037 3061 GLU 116 C -0.0005 -0.0047 0.0030 3062 GLU 116 O -0.0024 -0.0035 0.0024 3063 GLU 116 CB -0.0017 -0.0059 0.0032 3064 GLU 116 CG -0.0004 -0.0094 0.0045 3065 GLU 116 CD -0.0034 -0.0101 0.0044 3066 GLU 116 OE1 -0.0054 -0.0099 0.0041 3067 GLU 116 OE2 -0.0025 -0.0127 0.0053 3068 PHE 117 N 0.0021 -0.0046 0.0032 3069 PHE 117 CA 0.0036 -0.0024 0.0027 3070 PHE 117 C 0.0036 -0.0026 0.0028 3071 PHE 117 O 0.0058 -0.0028 0.0031 3072 PHE 117 CB 0.0065 -0.0019 0.0029 3073 PHE 117 CG 0.0081 0.0007 0.0022 3074 PHE 117 CD1 0.0070 0.0031 0.0013 3075 PHE 117 CD2 0.0104 0.0013 0.0023 3076 PHE 117 CE1 0.0086 0.0061 0.0005 3077 PHE 117 CE2 0.0116 0.0040 0.0016 3078 PHE 117 CZ 0.0105 0.0061 0.0008 3079 THR 118 N 0.0022 -0.0034 -0.0004 3080 THR 118 CA 0.0004 -0.0037 -0.0003 3081 THR 118 C 0.0000 -0.0018 -0.0030 3082 THR 118 O 0.0016 -0.0006 -0.0045 3083 THR 118 CB -0.0030 -0.0038 -0.0005 3084 THR 118 OG1 -0.0031 -0.0055 0.0018 3085 THR 118 CG2 -0.0039 -0.0029 -0.0020 3086 PRO 119 N -0.0012 -0.0019 -0.0031 3087 PRO 119 CA -0.0017 -0.0003 -0.0055 3088 PRO 119 C -0.0027 0.0010 -0.0074 3089 PRO 119 O -0.0018 0.0025 -0.0095 3090 PRO 119 CB -0.0034 -0.0006 -0.0052 3091 PRO 119 CG -0.0029 -0.0026 -0.0023 3092 PRO 119 CD -0.0023 -0.0035 -0.0009 3093 ALA 120 N -0.0052 0.0005 -0.0070 3094 ALA 120 CA -0.0065 0.0016 -0.0088 3095 ALA 120 C -0.0044 0.0022 -0.0094 3096 ALA 120 O -0.0045 0.0039 -0.0118 3097 ALA 120 CB -0.0093 0.0008 -0.0080 3098 VAL 121 N -0.0004 0.0019 -0.0094 3099 VAL 121 CA -0.0005 0.0032 -0.0097 3100 VAL 121 C 0.0006 0.0046 -0.0090 3101 VAL 121 O 0.0002 0.0060 -0.0096 3102 VAL 121 CB -0.0007 0.0026 -0.0097 3103 VAL 121 CG1 -0.0005 0.0040 -0.0098 3104 VAL 121 CG2 -0.0020 0.0016 -0.0107 3105 HIS 122 N 0.0016 0.0041 -0.0080 3106 HIS 122 CA 0.0028 0.0053 -0.0072 3107 HIS 122 C 0.0024 0.0063 -0.0077 3108 HIS 122 O 0.0026 0.0079 -0.0078 3109 HIS 122 CB 0.0038 0.0044 -0.0062 3110 HIS 122 CG 0.0050 0.0050 -0.0052 3111 HIS 122 ND1 0.0061 0.0043 -0.0041 3112 HIS 122 CD2 0.0053 0.0068 -0.0053 3113 HIS 122 CE1 0.0070 0.0054 -0.0035 3114 HIS 122 NE2 0.0067 0.0069 -0.0041 3115 ALA 123 N 0.0018 0.0056 -0.0081 3116 ALA 123 CA 0.0016 0.0066 -0.0085 3117 ALA 123 C 0.0006 0.0077 -0.0095 3118 ALA 123 O 0.0008 0.0091 -0.0097 3119 ALA 123 CB 0.0011 0.0052 -0.0087 3120 SER 124 N 0.0049 0.0053 -0.0085 3121 SER 124 CA 0.0043 0.0056 -0.0084 3122 SER 124 C 0.0033 0.0060 -0.0082 3123 SER 124 O 0.0030 0.0063 -0.0078 3124 SER 124 CB 0.0042 0.0054 -0.0095 3125 SER 124 OG 0.0050 0.0050 -0.0098 3126 LEU 125 N 0.0031 0.0061 -0.0086 3127 LEU 125 CA 0.0022 0.0065 -0.0084 3128 LEU 125 C 0.0021 0.0067 -0.0074 3129 LEU 125 O 0.0015 0.0071 -0.0069 3130 LEU 125 CB 0.0019 0.0065 -0.0090 3131 LEU 125 CG 0.0015 0.0065 -0.0100 3132 LEU 125 CD1 0.0015 0.0064 -0.0106 3133 LEU 125 CD2 0.0007 0.0069 -0.0100 3134 ASP 126 N 0.0028 0.0065 -0.0069 3135 ASP 126 CA 0.0029 0.0066 -0.0059 3136 ASP 126 C 0.0029 0.0067 -0.0054 3137 ASP 126 O 0.0025 0.0070 -0.0047 3138 ASP 126 CB 0.0037 0.0063 -0.0057 3139 ASP 126 CG 0.0037 0.0065 -0.0047 3140 ASP 126 OD1 0.0030 0.0068 -0.0046 3141 ASP 126 OD2 0.0042 0.0064 -0.0041 3142 LYS 127 N 0.0065 0.0051 -0.0061 3143 LYS 127 CA 0.0060 0.0061 -0.0050 3144 LYS 127 C 0.0045 0.0055 -0.0045 3145 LYS 127 O 0.0041 0.0063 -0.0036 3146 LYS 127 CB 0.0059 0.0066 -0.0046 3147 LYS 127 CG 0.0072 0.0073 -0.0049 3148 LYS 127 CD 0.0073 0.0078 -0.0045 3149 LYS 127 CE 0.0064 0.0086 -0.0032 3150 LYS 127 NZ 0.0066 0.0092 -0.0029 3151 PHE 128 N 0.0039 0.0045 -0.0049 3152 PHE 128 CA 0.0026 0.0040 -0.0044 3153 PHE 128 C 0.0024 0.0037 -0.0045 3154 PHE 128 O 0.0016 0.0041 -0.0036 3155 PHE 128 CB 0.0018 0.0028 -0.0048 3156 PHE 128 CG 0.0004 0.0019 -0.0046 3157 PHE 128 CD1 -0.0006 0.0024 -0.0035 3158 PHE 128 CD2 0.0006 0.0011 -0.0054 3159 PHE 128 CE1 -0.0017 0.0015 -0.0035 3160 PHE 128 CE2 -0.0008 0.0004 -0.0050 3161 PHE 128 CZ -0.0018 0.0006 -0.0042 3162 LEU 129 N 0.0032 0.0032 -0.0055 3163 LEU 129 CA 0.0031 0.0030 -0.0055 3164 LEU 129 C 0.0035 0.0042 -0.0048 3165 LEU 129 O 0.0030 0.0045 -0.0043 3166 LEU 129 CB 0.0039 0.0024 -0.0066 3167 LEU 129 CG 0.0033 0.0012 -0.0072 3168 LEU 129 CD1 0.0041 0.0004 -0.0084 3169 LEU 129 CD2 0.0021 0.0004 -0.0070 3170 ALA 130 N 0.0049 0.0042 0.0001 3171 ALA 130 CA 0.0053 0.0042 0.0015 3172 ALA 130 C 0.0050 0.0040 0.0029 3173 ALA 130 O 0.0044 0.0036 0.0042 3174 ALA 130 CB 0.0066 0.0048 0.0017 3175 SER 131 N 0.0055 0.0042 0.0028 3176 SER 131 CA 0.0053 0.0040 0.0044 3177 SER 131 C 0.0035 0.0033 0.0044 3178 SER 131 O 0.0033 0.0030 0.0058 3179 SER 131 CB 0.0061 0.0043 0.0040 3180 SER 131 OG 0.0076 0.0049 0.0040 3181 VAL 132 N 0.0028 0.0031 0.0031 3182 VAL 132 CA 0.0013 0.0025 0.0032 3183 VAL 132 C 0.0006 0.0022 0.0040 3184 VAL 132 O -0.0003 0.0017 0.0051 3185 VAL 132 CB 0.0007 0.0024 0.0017 3186 VAL 132 CG1 -0.0010 0.0017 0.0018 3187 VAL 132 CG2 0.0010 0.0026 0.0011 3188 SER 133 N 0.0006 0.0061 0.0082 3189 SER 133 CA -0.0002 0.0058 0.0096 3190 SER 133 C 0.0004 0.0052 0.0113 3191 SER 133 O -0.0011 0.0050 0.0127 3192 SER 133 CB 0.0002 0.0057 0.0097 3193 SER 133 OG -0.0008 0.0063 0.0081 3194 THR 134 N 0.0019 0.0048 0.0117 3195 THR 134 CA 0.0025 0.0042 0.0133 3196 THR 134 C 0.0018 0.0042 0.0137 3197 THR 134 O 0.0010 0.0039 0.0153 3198 THR 134 CB 0.0047 0.0040 0.0131 3199 THR 134 OG1 0.0053 0.0039 0.0132 3200 THR 134 CG2 0.0055 0.0034 0.0147 3201 VAL 135 N 0.0017 0.0046 0.0124 3202 VAL 135 CA 0.0009 0.0046 0.0128 3203 VAL 135 C -0.0012 0.0047 0.0135 3204 VAL 135 O -0.0018 0.0045 0.0146 3205 VAL 135 CB 0.0011 0.0051 0.0111 3206 VAL 135 CG1 -0.0000 0.0052 0.0113 3207 VAL 135 CG2 0.0030 0.0049 0.0109 3208 LEU 136 N 0.0002 0.0074 0.0128 3209 LEU 136 CA -0.0003 0.0062 0.0124 3210 LEU 136 C -0.0004 0.0060 0.0122 3211 LEU 136 O -0.0008 0.0050 0.0120 3212 LEU 136 CB -0.0005 0.0062 0.0114 3213 LEU 136 CG -0.0004 0.0062 0.0118 3214 LEU 136 CD1 -0.0008 0.0058 0.0106 3215 LEU 136 CD2 -0.0006 0.0053 0.0126 3216 THR 137 N -0.0001 0.0069 0.0120 3217 THR 137 CA -0.0003 0.0067 0.0115 3218 THR 137 C 0.0000 0.0069 0.0127 3219 THR 137 O -0.0001 0.0068 0.0124 3220 THR 137 CB -0.0002 0.0076 0.0104 3221 THR 137 OG1 0.0002 0.0085 0.0107 3222 THR 137 CG2 -0.0005 0.0070 0.0094 3223 SER 138 N 0.0003 0.0072 0.0136 3224 SER 138 CA 0.0006 0.0075 0.0146 3225 SER 138 C 0.0003 0.0065 0.0151 3226 SER 138 O 0.0006 0.0070 0.0158 3227 SER 138 CB 0.0007 0.0073 0.0159 3228 SER 138 OG 0.0010 0.0082 0.0156 3229 LYS 139 N 0.0044 0.0039 0.0088 3230 LYS 139 CA 0.0045 0.0019 0.0096 3231 LYS 139 C 0.0035 0.0007 0.0077 3232 LYS 139 O 0.0034 -0.0011 0.0079 3233 LYS 139 CB 0.0049 0.0008 0.0106 3234 LYS 139 CG 0.0059 0.0020 0.0127 3235 LYS 139 CD 0.0062 0.0010 0.0135 3236 LYS 139 CE 0.0075 0.0019 0.0161 3237 LYS 139 NZ 0.0072 0.0009 0.0158 3238 TYR 140 N 0.0029 0.0018 0.0061 3239 TYR 140 CA 0.0020 0.0006 0.0044 3240 TYR 140 C 0.0019 -0.0002 0.0044 3241 TYR 140 O 0.0012 -0.0019 0.0033 3242 TYR 140 CB 0.0014 0.0022 0.0026 3243 TYR 140 CG 0.0009 0.0020 0.0016 3244 TYR 140 CD1 0.0001 0.0019 -0.0001 3245 TYR 140 CD2 0.0015 0.0023 0.0028 3246 TYR 140 CE1 -0.0002 0.0019 -0.0008 3247 TYR 140 CE2 0.0011 0.0021 0.0020 3248 TYR 140 CZ 0.0003 0.0021 0.0003 3249 TYR 140 OH -0.0002 0.0019 -0.0007 3250 ARG 141 N 0.0024 0.0010 0.0052 3251 ARG 141 CA 0.0023 0.0003 0.0051 3252 ARG 141 C 0.0032 0.0008 0.0071 3253 ARG 141 O 0.0037 0.0022 0.0077 3254 ARG 141 CB 0.0014 0.0007 0.0032 3255 ARG 141 CG 0.0016 0.0031 0.0028 3256 ARG 141 CD 0.0006 0.0030 0.0008 3257 ARG 141 NE 0.0007 0.0053 0.0003 3258 ARG 141 CZ 0.0003 0.0061 -0.0009 3259 ARG 141 NH1 -0.0004 0.0049 -0.0021 3260 ARG 141 NH2 0.0004 0.0083 -0.0011 3261 ARG 141 OXT 0.0032 0.0001 0.0071 3262 VAL 1 N -0.0157 0.0079 -0.0049 3263 VAL 1 CA -0.0157 0.0174 -0.0126 3264 VAL 1 C -0.0084 0.0235 -0.0048 3265 VAL 1 O -0.0083 0.0163 0.0012 3266 VAL 1 CB -0.0207 0.0151 -0.0194 3267 VAL 1 CG1 -0.0272 0.0118 -0.0281 3268 VAL 1 CG2 -0.0223 0.0085 -0.0168 3269 HIS 2 N -0.0099 0.0286 -0.0115 3270 HIS 2 CA -0.0061 0.0343 -0.0094 3271 HIS 2 C -0.0070 0.0334 -0.0103 3272 HIS 2 O -0.0085 0.0408 -0.0188 3273 HIS 2 CB 0.0017 0.0454 -0.0048 3274 HIS 2 CG 0.0053 0.0475 -0.0002 3275 HIS 2 ND1 0.0038 0.0583 -0.0115 3276 HIS 2 CD2 0.0111 0.0486 0.0090 3277 HIS 2 CE1 0.0081 0.0617 -0.0068 3278 HIS 2 NE2 0.0107 0.0541 0.0039 3279 LEU 3 N -0.0045 0.0292 -0.0026 3280 LEU 3 CA -0.0076 0.0271 -0.0062 3281 LEU 3 C -0.0014 0.0364 -0.0029 3282 LEU 3 O 0.0025 0.0312 0.0081 3283 LEU 3 CB -0.0106 0.0183 -0.0043 3284 LEU 3 CG -0.0169 0.0141 -0.0120 3285 LEU 3 CD1 -0.0206 0.0054 -0.0115 3286 LEU 3 CD2 -0.0204 0.0169 -0.0203 3287 THR 4 N -0.0078 0.0352 -0.0010 3288 THR 4 CA -0.0068 0.0274 -0.0031 3289 THR 4 C -0.0025 0.0168 -0.0070 3290 THR 4 O -0.0060 0.0183 -0.0054 3291 THR 4 CB -0.0173 0.0234 -0.0004 3292 THR 4 OG1 -0.0236 0.0178 0.0005 3293 THR 4 CG2 -0.0197 0.0308 0.0021 3294 PRO 5 N 0.0020 0.0116 -0.0097 3295 PRO 5 CA 0.0041 0.0033 -0.0122 3296 PRO 5 C -0.0045 -0.0047 -0.0111 3297 PRO 5 O -0.0063 -0.0094 -0.0115 3298 PRO 5 CB 0.0083 -0.0072 -0.0160 3299 PRO 5 CG 0.0109 -0.0021 -0.0158 3300 PRO 5 CD 0.0092 0.0105 -0.0124 3301 GLU 6 N -0.0133 -0.0044 -0.0080 3302 GLU 6 CA -0.0208 -0.0118 -0.0071 3303 GLU 6 C -0.0296 -0.0023 -0.0019 3304 GLU 6 O -0.0319 -0.0082 -0.0025 3305 GLU 6 CB -0.0318 -0.0127 -0.0035 3306 GLU 6 CG -0.0312 -0.0093 -0.0030 3307 GLU 6 CD -0.0216 -0.0114 -0.0067 3308 GLU 6 OE1 -0.0154 -0.0072 -0.0079 3309 GLU 6 OE2 -0.0161 0.0086 -0.0041 3310 GLU 7 N -0.0150 0.0044 -0.0016 3311 GLU 7 CA -0.0175 0.0073 -0.0007 3312 GLU 7 C -0.0154 0.0070 -0.0015 3313 GLU 7 O -0.0180 0.0066 -0.0004 3314 GLU 7 CB -0.0168 0.0116 -0.0012 3315 GLU 7 CG -0.0196 0.0118 -0.0000 3316 GLU 7 CD -0.0183 0.0152 -0.0007 3317 GLU 7 OE1 -0.0219 0.0166 0.0007 3318 GLU 7 OE2 -0.0160 0.0182 -0.0019 3319 LYS 8 N -0.0122 0.0072 -0.0029 3320 LYS 8 CA -0.0106 0.0074 -0.0036 3321 LYS 8 C -0.0110 0.0041 -0.0032 3322 LYS 8 O -0.0127 0.0033 -0.0025 3323 LYS 8 CB -0.0058 0.0076 -0.0056 3324 LYS 8 CG -0.0054 0.0088 -0.0058 3325 LYS 8 CD -0.0022 0.0099 -0.0072 3326 LYS 8 CE -0.0007 0.0090 -0.0078 3327 LYS 8 NZ 0.0040 0.0115 -0.0099 3328 SER 9 N -0.0112 0.0005 -0.0029 3329 SER 9 CA -0.0125 -0.0027 -0.0022 3330 SER 9 C -0.0165 -0.0029 -0.0005 3331 SER 9 O -0.0170 -0.0052 -0.0002 3332 SER 9 CB -0.0106 -0.0063 -0.0028 3333 SER 9 OG -0.0117 -0.0091 -0.0022 3334 ALA 10 N -0.0065 0.0055 0.0052 3335 ALA 10 CA -0.0062 0.0055 0.0049 3336 ALA 10 C -0.0068 0.0048 0.0046 3337 ALA 10 O -0.0068 0.0048 0.0046 3338 ALA 10 CB -0.0059 0.0054 0.0042 3339 VAL 11 N -0.0071 0.0044 0.0045 3340 VAL 11 CA -0.0076 0.0038 0.0042 3341 VAL 11 C -0.0081 0.0037 0.0048 3342 VAL 11 O -0.0082 0.0035 0.0047 3343 VAL 11 CB -0.0079 0.0034 0.0040 3344 VAL 11 CG1 -0.0084 0.0029 0.0040 3345 VAL 11 CG2 -0.0074 0.0033 0.0032 3346 THR 12 N -0.0082 0.0039 0.0054 3347 THR 12 CA -0.0088 0.0038 0.0061 3348 THR 12 C -0.0086 0.0041 0.0063 3349 THR 12 O -0.0089 0.0040 0.0064 3350 THR 12 CB -0.0089 0.0042 0.0068 3351 THR 12 OG1 -0.0093 0.0036 0.0065 3352 THR 12 CG2 -0.0092 0.0042 0.0073 3353 ALA 13 N -0.0062 0.0109 0.0191 3354 ALA 13 CA -0.0051 0.0138 0.0164 3355 ALA 13 C -0.0015 0.0126 0.0133 3356 ALA 13 O -0.0001 0.0127 0.0118 3357 ALA 13 CB -0.0056 0.0167 0.0153 3358 LEU 14 N -0.0000 0.0104 0.0131 3359 LEU 14 CA 0.0029 0.0091 0.0107 3360 LEU 14 C 0.0043 0.0057 0.0112 3361 LEU 14 O 0.0066 0.0057 0.0088 3362 LEU 14 CB 0.0041 0.0079 0.0102 3363 LEU 14 CG 0.0076 0.0066 0.0073 3364 LEU 14 CD1 0.0075 0.0107 0.0050 3365 LEU 14 CD2 0.0086 0.0048 0.0073 3366 TRP 15 N 0.0026 0.0037 0.0141 3367 TRP 15 CA 0.0042 -0.0000 0.0145 3368 TRP 15 C 0.0037 0.0012 0.0143 3369 TRP 15 O 0.0057 -0.0005 0.0132 3370 TRP 15 CB 0.0022 -0.0023 0.0179 3371 TRP 15 CG 0.0038 -0.0062 0.0185 3372 TRP 15 CD1 0.0033 -0.0079 0.0199 3373 TRP 15 CD2 0.0066 -0.0090 0.0171 3374 TRP 15 NE1 0.0052 -0.0114 0.0199 3375 TRP 15 CE2 0.0075 -0.0126 0.0182 3376 TRP 15 CE3 0.0079 -0.0090 0.0157 3377 TRP 15 CZ2 0.0100 -0.0157 0.0173 3378 TRP 15 CZ3 0.0103 -0.0125 0.0152 3379 TRP 15 CH2 0.0111 -0.0157 0.0162 3380 GLY 16 N -0.0056 0.0026 0.0322 3381 GLY 16 CA -0.0059 0.0056 0.0316 3382 GLY 16 C -0.0015 0.0072 0.0285 3383 GLY 16 O -0.0012 0.0088 0.0279 3384 LYS 17 N 0.0025 0.0079 0.0260 3385 LYS 17 CA 0.0068 0.0100 0.0229 3386 LYS 17 C 0.0108 0.0065 0.0215 3387 LYS 17 O 0.0154 0.0048 0.0192 3388 LYS 17 CB 0.0089 0.0130 0.0208 3389 LYS 17 CG 0.0054 0.0169 0.0218 3390 LYS 17 CD 0.0082 0.0191 0.0195 3391 LYS 17 CE 0.0074 0.0215 0.0194 3392 LYS 17 NZ 0.0127 0.0259 0.0150 3393 VAL 18 N 0.0099 0.0003 0.0237 3394 VAL 18 CA 0.0138 -0.0056 0.0230 3395 VAL 18 C 0.0143 -0.0061 0.0229 3396 VAL 18 O 0.0100 -0.0060 0.0253 3397 VAL 18 CB 0.0127 -0.0097 0.0248 3398 VAL 18 CG1 0.0146 -0.0147 0.0250 3399 VAL 18 CG2 0.0127 -0.0091 0.0246 3400 ASN 19 N 0.0283 -0.0248 0.0305 3401 ASN 19 CA 0.0246 -0.0284 0.0304 3402 ASN 19 C 0.0239 -0.0266 0.0283 3403 ASN 19 O 0.0196 -0.0247 0.0230 3404 ASN 19 CB 0.0201 -0.0328 0.0303 3405 ASN 19 CG 0.0185 -0.0387 0.0339 3406 ASN 19 OD1 0.0146 -0.0380 0.0301 3407 ASN 19 ND2 0.0121 -0.0426 0.0319 3408 VAL 20 N 0.0254 -0.0262 0.0292 3409 VAL 20 CA 0.0239 -0.0230 0.0252 3410 VAL 20 C 0.0193 -0.0237 0.0219 3411 VAL 20 O 0.0160 -0.0218 0.0175 3412 VAL 20 CB 0.0303 -0.0205 0.0286 3413 VAL 20 CG1 0.0336 -0.0190 0.0302 3414 VAL 20 CG2 0.0262 -0.0218 0.0262 3415 ASP 21 N 0.0164 -0.0295 0.0243 3416 ASP 21 CA 0.0099 -0.0317 0.0207 3417 ASP 21 C 0.0070 -0.0315 0.0181 3418 ASP 21 O 0.0037 -0.0286 0.0127 3419 ASP 21 CB 0.0079 -0.0380 0.0243 3420 ASP 21 CG 0.0116 -0.0402 0.0294 3421 ASP 21 OD1 0.0147 -0.0372 0.0294 3422 ASP 21 OD2 0.0086 -0.0446 0.0306 3423 GLU 22 N 0.0106 -0.0335 0.0218 3424 GLU 22 CA 0.0067 -0.0332 0.0204 3425 GLU 22 C 0.0087 -0.0260 0.0151 3426 GLU 22 O 0.0048 -0.0243 0.0125 3427 GLU 22 CB 0.0080 -0.0375 0.0243 3428 GLU 22 CG 0.0088 -0.0360 0.0234 3429 GLU 22 CD 0.0059 -0.0405 0.0261 3430 GLU 22 OE1 0.0117 -0.0419 0.0290 3431 GLU 22 OE2 0.0013 -0.0438 0.0274 3432 VAL 23 N 0.0148 -0.0249 0.0161 3433 VAL 23 CA 0.0174 -0.0192 0.0122 3434 VAL 23 C 0.0155 -0.0150 0.0082 3435 VAL 23 O 0.0135 -0.0110 0.0043 3436 VAL 23 CB 0.0253 -0.0181 0.0138 3437 VAL 23 CG1 0.0273 -0.0127 0.0100 3438 VAL 23 CG2 0.0251 -0.0219 0.0169 3439 GLY 24 N 0.0163 -0.0154 0.0088 3440 GLY 24 CA 0.0150 -0.0121 0.0057 3441 GLY 24 C 0.0080 -0.0117 0.0032 3442 GLY 24 O 0.0053 -0.0074 -0.0012 3443 GLY 25 N 0.0027 -0.0107 0.0033 3444 GLY 25 CA -0.0009 -0.0109 0.0022 3445 GLY 25 C -0.0011 -0.0098 0.0010 3446 GLY 25 O -0.0030 -0.0083 -0.0012 3447 GLU 26 N 0.0008 -0.0101 0.0020 3448 GLU 26 CA 0.0005 -0.0091 0.0009 3449 GLU 26 C 0.0017 -0.0060 -0.0019 3450 GLU 26 O 0.0000 -0.0049 -0.0036 3451 GLU 26 CB 0.0024 -0.0100 0.0025 3452 GLU 26 CG -0.0016 -0.0121 0.0032 3453 GLU 26 CD 0.0015 -0.0091 0.0012 3454 GLU 26 OE1 -0.0014 -0.0098 0.0009 3455 GLU 26 OE2 0.0031 -0.0112 0.0040 3456 ALA 27 N 0.0045 -0.0054 -0.0016 3457 ALA 27 CA 0.0061 -0.0027 -0.0038 3458 ALA 27 C 0.0038 -0.0013 -0.0059 3459 ALA 27 O 0.0030 0.0005 -0.0081 3460 ALA 27 CB 0.0094 -0.0022 -0.0031 3461 LEU 28 N 0.0004 0.0001 -0.0066 3462 LEU 28 CA -0.0012 0.0007 -0.0080 3463 LEU 28 C -0.0024 0.0008 -0.0081 3464 LEU 28 O -0.0032 0.0014 -0.0097 3465 LEU 28 CB -0.0026 0.0006 -0.0076 3466 LEU 28 CG -0.0042 0.0014 -0.0095 3467 LEU 28 CD1 -0.0029 0.0019 -0.0113 3468 LEU 28 CD2 -0.0054 0.0012 -0.0089 3469 GLY 29 N -0.0033 0.0002 -0.0063 3470 GLY 29 CA -0.0043 0.0002 -0.0062 3471 GLY 29 C -0.0033 0.0005 -0.0074 3472 GLY 29 O -0.0044 0.0010 -0.0084 3473 ARG 30 N -0.0013 0.0002 -0.0068 3474 ARG 30 CA -0.0003 0.0006 -0.0078 3475 ARG 30 C 0.0000 0.0014 -0.0100 3476 ARG 30 O -0.0002 0.0017 -0.0110 3477 ARG 30 CB 0.0019 0.0000 -0.0066 3478 ARG 30 CG 0.0018 -0.0007 -0.0046 3479 ARG 30 CD 0.0037 -0.0011 -0.0037 3480 ARG 30 NE 0.0038 -0.0017 -0.0021 3481 ARG 30 CZ 0.0040 -0.0020 -0.0014 3482 ARG 30 NH1 0.0041 -0.0026 0.0004 3483 ARG 30 NH2 0.0050 -0.0016 -0.0026 3484 LEU 31 N 0.0005 0.0035 -0.0046 3485 LEU 31 CA 0.0006 0.0042 -0.0047 3486 LEU 31 C -0.0001 0.0041 -0.0056 3487 LEU 31 O -0.0004 0.0048 -0.0061 3488 LEU 31 CB 0.0015 0.0042 -0.0037 3489 LEU 31 CG 0.0017 0.0050 -0.0038 3490 LEU 31 CD1 0.0021 0.0063 -0.0038 3491 LEU 31 CD2 0.0022 0.0045 -0.0030 3492 LEU 32 N -0.0004 0.0028 -0.0054 3493 LEU 32 CA -0.0011 0.0024 -0.0061 3494 LEU 32 C -0.0018 0.0026 -0.0071 3495 LEU 32 O -0.0024 0.0027 -0.0078 3496 LEU 32 CB -0.0012 0.0012 -0.0057 3497 LEU 32 CG -0.0005 0.0010 -0.0049 3498 LEU 32 CD1 -0.0006 -0.0005 -0.0045 3499 LEU 32 CD2 -0.0002 0.0015 -0.0047 3500 VAL 33 N -0.0020 0.0026 -0.0072 3501 VAL 33 CA -0.0027 0.0028 -0.0082 3502 VAL 33 C -0.0027 0.0042 -0.0087 3503 VAL 33 O -0.0033 0.0045 -0.0095 3504 VAL 33 CB -0.0028 0.0023 -0.0081 3505 VAL 33 CG1 -0.0035 0.0027 -0.0091 3506 VAL 33 CG2 -0.0031 0.0009 -0.0079 3507 VAL 34 N 0.0017 0.0049 -0.0077 3508 VAL 34 CA 0.0014 0.0056 -0.0077 3509 VAL 34 C 0.0014 0.0055 -0.0072 3510 VAL 34 O 0.0012 0.0059 -0.0073 3511 VAL 34 CB 0.0010 0.0064 -0.0075 3512 VAL 34 CG1 0.0006 0.0071 -0.0073 3513 VAL 34 CG2 0.0009 0.0066 -0.0082 3514 TYR 35 N 0.0016 0.0051 -0.0064 3515 TYR 35 CA 0.0017 0.0049 -0.0058 3516 TYR 35 C 0.0021 0.0040 -0.0057 3517 TYR 35 O 0.0023 0.0036 -0.0050 3518 TYR 35 CB 0.0015 0.0052 -0.0049 3519 TYR 35 CG 0.0010 0.0060 -0.0049 3520 TYR 35 CD1 0.0008 0.0066 -0.0051 3521 TYR 35 CD2 0.0009 0.0063 -0.0048 3522 TYR 35 CE1 0.0004 0.0074 -0.0052 3523 TYR 35 CE2 0.0005 0.0071 -0.0049 3524 TYR 35 CZ 0.0002 0.0077 -0.0050 3525 TYR 35 OH -0.0002 0.0085 -0.0052 3526 PRO 36 N 0.0023 0.0036 -0.0064 3527 PRO 36 CA 0.0028 0.0027 -0.0064 3528 PRO 36 C 0.0030 0.0022 -0.0057 3529 PRO 36 O 0.0033 0.0015 -0.0055 3530 PRO 36 CB 0.0029 0.0026 -0.0073 3531 PRO 36 CG 0.0025 0.0033 -0.0076 3532 PRO 36 CD 0.0022 0.0039 -0.0071 3533 TRP 37 N 0.0026 -0.0008 -0.0028 3534 TRP 37 CA 0.0024 -0.0016 -0.0023 3535 TRP 37 C 0.0020 -0.0018 -0.0012 3536 TRP 37 O 0.0018 -0.0027 -0.0007 3537 TRP 37 CB 0.0024 -0.0013 -0.0022 3538 TRP 37 CG 0.0022 -0.0002 -0.0019 3539 TRP 37 CD1 0.0018 0.0002 -0.0009 3540 TRP 37 CD2 0.0025 0.0009 -0.0025 3541 TRP 37 NE1 0.0018 0.0012 -0.0008 3542 TRP 37 CE2 0.0022 0.0017 -0.0018 3543 TRP 37 CE3 0.0028 0.0011 -0.0035 3544 TRP 37 CZ2 0.0023 0.0029 -0.0021 3545 TRP 37 CZ3 0.0030 0.0022 -0.0039 3546 TRP 37 CH2 0.0027 0.0029 -0.0031 3547 THR 38 N 0.0018 -0.0010 -0.0008 3548 THR 38 CA 0.0015 -0.0010 0.0002 3549 THR 38 C 0.0015 -0.0020 0.0002 3550 THR 38 O 0.0011 -0.0023 0.0010 3551 THR 38 CB 0.0013 0.0001 0.0005 3552 THR 38 OG1 0.0016 0.0004 -0.0002 3553 THR 38 CG2 0.0012 0.0008 0.0007 3554 GLN 39 N 0.0018 -0.0023 -0.0008 3555 GLN 39 CA 0.0018 -0.0032 -0.0008 3556 GLN 39 C 0.0017 -0.0043 -0.0005 3557 GLN 39 O 0.0016 -0.0050 -0.0002 3558 GLN 39 CB 0.0023 -0.0033 -0.0020 3559 GLN 39 CG 0.0024 -0.0023 -0.0023 3560 GLN 39 CD 0.0028 -0.0025 -0.0034 3561 GLN 39 OE1 0.0031 -0.0034 -0.0040 3562 GLN 39 NE2 0.0030 -0.0015 -0.0040 3563 ARG 40 N -0.0012 -0.0047 -0.0002 3564 ARG 40 CA -0.0009 -0.0057 0.0008 3565 ARG 40 C -0.0010 -0.0059 0.0014 3566 ARG 40 O -0.0005 -0.0071 0.0021 3567 ARG 40 CB -0.0016 -0.0054 0.0018 3568 ARG 40 CG -0.0023 -0.0049 0.0027 3569 ARG 40 CD -0.0027 -0.0048 0.0033 3570 ARG 40 NE -0.0023 -0.0056 0.0039 3571 ARG 40 CZ -0.0022 -0.0064 0.0050 3572 ARG 40 NH1 -0.0028 -0.0061 0.0057 3573 ARG 40 NH2 -0.0018 -0.0072 0.0054 3574 PHE 41 N -0.0016 -0.0053 0.0016 3575 PHE 41 CA -0.0017 -0.0055 0.0023 3576 PHE 41 C -0.0010 -0.0059 0.0014 3577 PHE 41 O -0.0013 -0.0060 0.0022 3578 PHE 41 CB -0.0027 -0.0046 0.0030 3579 PHE 41 CG -0.0033 -0.0043 0.0038 3580 PHE 41 CD1 -0.0038 -0.0033 0.0032 3581 PHE 41 CD2 -0.0033 -0.0049 0.0049 3582 PHE 41 CE1 -0.0043 -0.0033 0.0043 3583 PHE 41 CE2 -0.0038 -0.0048 0.0058 3584 PHE 41 CZ -0.0043 -0.0038 0.0052 3585 PHE 42 N -0.0006 -0.0058 0.0003 3586 PHE 42 CA -0.0004 -0.0057 -0.0004 3587 PHE 42 C 0.0006 -0.0066 -0.0012 3588 PHE 42 O 0.0011 -0.0065 -0.0024 3589 PHE 42 CB -0.0008 -0.0047 -0.0013 3590 PHE 42 CG -0.0017 -0.0039 -0.0005 3591 PHE 42 CD1 -0.0024 -0.0030 -0.0005 3592 PHE 42 CD2 -0.0020 -0.0038 0.0001 3593 PHE 42 CE1 -0.0033 -0.0023 0.0003 3594 PHE 42 CE2 -0.0029 -0.0032 0.0008 3595 PHE 42 CZ -0.0036 -0.0023 0.0009 3596 GLU 43 N 0.0007 -0.0143 -0.0024 3597 GLU 43 CA 0.0058 -0.0131 -0.0011 3598 GLU 43 C 0.0056 -0.0071 -0.0012 3599 GLU 43 O 0.0094 -0.0058 -0.0002 3600 GLU 43 CB 0.0056 -0.0160 -0.0011 3601 GLU 43 CG 0.0049 -0.0182 -0.0012 3602 GLU 43 CD 0.0092 -0.0236 0.0000 3603 GLU 43 OE1 0.0151 -0.0217 0.0016 3604 GLU 43 OE2 0.0112 -0.0296 0.0007 3605 SER 44 N 0.0004 -0.0061 -0.0026 3606 SER 44 CA -0.0017 -0.0015 -0.0033 3607 SER 44 C -0.0001 0.0028 -0.0029 3608 SER 44 O -0.0007 0.0077 -0.0032 3609 SER 44 CB -0.0069 -0.0011 -0.0047 3610 SER 44 OG -0.0103 -0.0001 -0.0056 3611 PHE 45 N 0.0019 0.0037 -0.0024 3612 PHE 45 CA 0.0026 0.0086 -0.0023 3613 PHE 45 C 0.0086 0.0115 -0.0008 3614 PHE 45 O 0.0079 0.0158 -0.0010 3615 PHE 45 CB 0.0021 0.0065 -0.0024 3616 PHE 45 CG -0.0035 0.0067 -0.0039 3617 PHE 45 CD1 -0.0042 0.0073 -0.0041 3618 PHE 45 CD2 -0.0076 0.0060 -0.0050 3619 PHE 45 CE1 -0.0103 0.0072 -0.0057 3620 PHE 45 CE2 -0.0126 0.0053 -0.0063 3621 PHE 45 CZ -0.0144 0.0064 -0.0068 3622 GLY 46 N 0.0162 0.0101 -0.0018 3623 GLY 46 CA 0.0205 0.0124 -0.0035 3624 GLY 46 C 0.0223 0.0110 -0.0009 3625 GLY 46 O 0.0199 0.0068 0.0040 3626 ASP 47 N 0.0220 0.0140 -0.0051 3627 ASP 47 CA 0.0268 0.0104 0.0016 3628 ASP 47 C 0.0159 0.0097 -0.0014 3629 ASP 47 O 0.0140 0.0133 -0.0069 3630 ASP 47 CB 0.0282 0.0158 -0.0054 3631 ASP 47 CG 0.0299 0.0144 -0.0029 3632 ASP 47 OD1 0.0310 0.0181 -0.0075 3633 ASP 47 OD2 0.0304 0.0109 0.0021 3634 LEU 48 N 0.0161 0.0063 0.0034 3635 LEU 48 CA 0.0084 0.0039 0.0039 3636 LEU 48 C 0.0095 0.0024 0.0064 3637 LEU 48 O 0.0057 -0.0011 0.0099 3638 LEU 48 CB 0.0062 0.0006 0.0076 3639 LEU 48 CG 0.0035 0.0029 0.0036 3640 LEU 48 CD1 -0.0007 -0.0014 0.0080 3641 LEU 48 CD2 -0.0003 0.0061 -0.0021 3642 SER 49 N 0.0152 0.0058 0.0161 3643 SER 49 CA 0.0115 0.0075 0.0223 3644 SER 49 C 0.0020 0.0067 0.0163 3645 SER 49 O -0.0055 0.0085 0.0216 3646 SER 49 CB 0.0176 0.0067 0.0208 3647 SER 49 OG 0.0186 0.0045 0.0118 3648 THR 50 N 0.0022 0.0048 0.0083 3649 THR 50 CA -0.0093 0.0054 0.0076 3650 THR 50 C -0.0124 0.0037 -0.0005 3651 THR 50 O -0.0067 0.0029 -0.0023 3652 THR 50 CB -0.0067 0.0026 -0.0035 3653 THR 50 OG1 -0.0018 0.0003 -0.0118 3654 THR 50 CG2 -0.0033 0.0034 0.0007 3655 PRO 51 N -0.0205 0.0037 -0.0030 3656 PRO 51 CA -0.0242 0.0027 -0.0081 3657 PRO 51 C -0.0202 0.0007 -0.0156 3658 PRO 51 O -0.0181 -0.0002 -0.0188 3659 PRO 51 CB -0.0345 0.0029 -0.0101 3660 PRO 51 CG -0.0360 0.0049 -0.0024 3661 PRO 51 CD -0.0270 0.0049 0.0004 3662 ASP 52 N -0.0175 0.0021 -0.0215 3663 ASP 52 CA -0.0140 -0.0006 -0.0286 3664 ASP 52 C -0.0066 -0.0006 -0.0256 3665 ASP 52 O -0.0049 -0.0020 -0.0294 3666 ASP 52 CB -0.0146 -0.0014 -0.0315 3667 ASP 52 CG -0.0218 -0.0016 -0.0350 3668 ASP 52 OD1 -0.0251 -0.0011 -0.0347 3669 ASP 52 OD2 -0.0240 0.0020 -0.0245 3670 ALA 53 N -0.0038 0.0003 -0.0217 3671 ALA 53 CA 0.0026 0.0002 -0.0193 3672 ALA 53 C 0.0039 0.0010 -0.0165 3673 ALA 53 O 0.0060 0.0003 -0.0177 3674 ALA 53 CB 0.0056 0.0014 -0.0144 3675 VAL 54 N -0.0014 0.0033 -0.0113 3676 VAL 54 CA -0.0019 0.0041 -0.0090 3677 VAL 54 C -0.0034 0.0026 -0.0143 3678 VAL 54 O 0.0002 0.0018 -0.0154 3679 VAL 54 CB -0.0074 0.0064 -0.0040 3680 VAL 54 CG1 -0.0078 0.0070 -0.0025 3681 VAL 54 CG2 -0.0063 0.0079 0.0010 3682 MET 55 N -0.0054 0.0021 -0.0072 3683 MET 55 CA -0.0050 0.0007 -0.0083 3684 MET 55 C -0.0045 0.0010 -0.0090 3685 MET 55 O -0.0038 0.0003 -0.0102 3686 MET 55 CB -0.0060 -0.0012 -0.0074 3687 MET 55 CG -0.0062 -0.0015 -0.0070 3688 MET 55 SD -0.0056 -0.0018 -0.0081 3689 MET 55 CE -0.0050 -0.0033 -0.0094 3690 GLY 56 N -0.0050 0.0022 -0.0078 3691 GLY 56 CA -0.0045 0.0021 -0.0087 3692 GLY 56 C -0.0036 0.0038 -0.0096 3693 GLY 56 O -0.0031 0.0048 -0.0100 3694 ASN 57 N -0.0033 0.0053 -0.0095 3695 ASN 57 CA -0.0026 0.0069 -0.0102 3696 ASN 57 C -0.0016 0.0064 -0.0119 3697 ASN 57 O -0.0011 0.0054 -0.0129 3698 ASN 57 CB -0.0027 0.0079 -0.0097 3699 ASN 57 CG -0.0019 0.0095 -0.0105 3700 ASN 57 OD1 -0.0009 0.0099 -0.0118 3701 ASN 57 ND2 -0.0023 0.0107 -0.0095 3702 PRO 58 N -0.0072 0.0113 -0.0040 3703 PRO 58 CA -0.0077 0.0115 -0.0069 3704 PRO 58 C -0.0080 0.0111 -0.0090 3705 PRO 58 O -0.0086 0.0100 -0.0116 3706 PRO 58 CB -0.0074 0.0149 -0.0075 3707 PRO 58 CG -0.0068 0.0146 -0.0035 3708 PRO 58 CD -0.0067 0.0148 -0.0031 3709 LYS 59 N -0.0079 0.0117 -0.0084 3710 LYS 59 CA -0.0082 0.0113 -0.0102 3711 LYS 59 C -0.0087 0.0077 -0.0107 3712 LYS 59 O -0.0091 0.0072 -0.0132 3713 LYS 59 CB -0.0080 0.0128 -0.0097 3714 LYS 59 CG -0.0078 0.0159 -0.0101 3715 LYS 59 CD -0.0075 0.0169 -0.0090 3716 LYS 59 CE -0.0075 0.0198 -0.0106 3717 LYS 59 NZ -0.0069 0.0224 -0.0089 3718 VAL 60 N -0.0083 0.0066 -0.0081 3719 VAL 60 CA -0.0087 0.0030 -0.0083 3720 VAL 60 C -0.0092 0.0021 -0.0104 3721 VAL 60 O -0.0097 0.0001 -0.0121 3722 VAL 60 CB -0.0083 0.0019 -0.0053 3723 VAL 60 CG1 -0.0087 -0.0015 -0.0058 3724 VAL 60 CG2 -0.0079 0.0031 -0.0036 3725 LYS 61 N -0.0114 0.0014 -0.0055 3726 LYS 61 CA -0.0103 0.0019 -0.0022 3727 LYS 61 C -0.0119 0.0020 -0.0027 3728 LYS 61 O -0.0099 0.0017 -0.0030 3729 LYS 61 CB -0.0108 0.0028 0.0023 3730 LYS 61 CG -0.0084 0.0027 0.0032 3731 LYS 61 CD -0.0100 0.0035 0.0066 3732 LYS 61 CE -0.0070 0.0038 0.0097 3733 LYS 61 NZ -0.0086 0.0045 0.0131 3734 ALA 62 N -0.0161 0.0022 -0.0038 3735 ALA 62 CA -0.0184 0.0022 -0.0046 3736 ALA 62 C -0.0168 0.0014 -0.0081 3737 ALA 62 O -0.0159 0.0014 -0.0080 3738 ALA 62 CB -0.0230 0.0026 -0.0049 3739 HIS 63 N -0.0162 0.0008 -0.0115 3740 HIS 63 CA -0.0146 -0.0001 -0.0153 3741 HIS 63 C -0.0098 -0.0005 -0.0149 3742 HIS 63 O -0.0089 -0.0009 -0.0167 3743 HIS 63 CB -0.0152 -0.0006 -0.0187 3744 HIS 63 CG -0.0151 -0.0016 -0.0238 3745 HIS 63 ND1 -0.0174 -0.0015 -0.0245 3746 HIS 63 CD2 -0.0111 -0.0023 -0.0259 3747 HIS 63 CE1 -0.0145 -0.0025 -0.0285 3748 HIS 63 NE2 -0.0128 -0.0028 -0.0292 3749 GLY 64 N -0.0113 -0.0025 -0.0138 3750 GLY 64 CA -0.0030 -0.0035 -0.0120 3751 GLY 64 C 0.0032 -0.0057 -0.0071 3752 GLY 64 O 0.0098 -0.0053 -0.0085 3753 LYS 65 N -0.0021 -0.0077 -0.0012 3754 LYS 65 CA 0.0026 -0.0096 0.0032 3755 LYS 65 C 0.0043 -0.0079 -0.0014 3756 LYS 65 O 0.0111 -0.0086 -0.0000 3757 LYS 65 CB -0.0045 -0.0119 0.0099 3758 LYS 65 CG 0.0008 -0.0135 0.0137 3759 LYS 65 CD -0.0116 -0.0156 0.0201 3760 LYS 65 CE -0.0046 -0.0168 0.0226 3761 LYS 65 NZ -0.0101 -0.0196 0.0305 3762 LYS 66 N -0.0011 -0.0055 -0.0070 3763 LYS 66 CA -0.0003 -0.0036 -0.0120 3764 LYS 66 C 0.0085 -0.0026 -0.0155 3765 LYS 66 O 0.0136 -0.0020 -0.0175 3766 LYS 66 CB -0.0075 -0.0016 -0.0166 3767 LYS 66 CG -0.0102 0.0002 -0.0211 3768 LYS 66 CD -0.0220 0.0005 -0.0207 3769 LYS 66 CE -0.0164 0.0016 -0.0242 3770 LYS 66 NZ -0.0238 0.0051 -0.0324 3771 VAL 67 N 0.0042 -0.0002 -0.0094 3772 VAL 67 CA 0.0091 -0.0005 -0.0132 3773 VAL 67 C 0.0136 -0.0026 -0.0108 3774 VAL 67 O 0.0175 -0.0031 -0.0132 3775 VAL 67 CB 0.0071 0.0005 -0.0148 3776 VAL 67 CG1 0.0129 -0.0008 -0.0162 3777 VAL 67 CG2 0.0022 0.0028 -0.0175 3778 LEU 68 N 0.0141 -0.0042 -0.0058 3779 LEU 68 CA 0.0190 -0.0063 -0.0038 3780 LEU 68 C 0.0207 -0.0073 -0.0024 3781 LEU 68 O 0.0250 -0.0085 -0.0024 3782 LEU 68 CB 0.0201 -0.0082 0.0014 3783 LEU 68 CG 0.0237 -0.0094 0.0019 3784 LEU 68 CD1 0.0271 -0.0094 -0.0016 3785 LEU 68 CD2 0.0236 -0.0107 0.0064 3786 GLY 69 N 0.0161 -0.0061 -0.0014 3787 GLY 69 CA 0.0169 -0.0063 -0.0015 3788 GLY 69 C 0.0197 -0.0058 -0.0062 3789 GLY 69 O 0.0234 -0.0070 -0.0061 3790 ALA 70 N 0.0098 -0.0031 -0.0052 3791 ALA 70 CA 0.0111 -0.0019 -0.0054 3792 ALA 70 C 0.0102 -0.0026 -0.0052 3793 ALA 70 O 0.0113 -0.0028 -0.0059 3794 ALA 70 CB 0.0110 0.0004 -0.0046 3795 PHE 71 N 0.0082 -0.0031 -0.0044 3796 PHE 71 CA 0.0071 -0.0041 -0.0041 3797 PHE 71 C 0.0078 -0.0063 -0.0052 3798 PHE 71 O 0.0085 -0.0064 -0.0056 3799 PHE 71 CB 0.0048 -0.0041 -0.0029 3800 PHE 71 CG 0.0036 -0.0052 -0.0026 3801 PHE 71 CD1 0.0029 -0.0035 -0.0017 3802 PHE 71 CD2 0.0032 -0.0075 -0.0033 3803 PHE 71 CE1 0.0020 -0.0045 -0.0016 3804 PHE 71 CE2 0.0023 -0.0080 -0.0029 3805 PHE 71 CZ 0.0016 -0.0065 -0.0021 3806 SER 72 N 0.0081 -0.0075 -0.0058 3807 SER 72 CA 0.0089 -0.0094 -0.0068 3808 SER 72 C 0.0106 -0.0094 -0.0077 3809 SER 72 O 0.0113 -0.0105 -0.0085 3810 SER 72 CB 0.0087 -0.0117 -0.0075 3811 SER 72 OG 0.0070 -0.0113 -0.0065 3812 ASP 73 N 0.0075 -0.0073 -0.0129 3813 ASP 73 CA 0.0082 -0.0070 -0.0134 3814 ASP 73 C 0.0069 -0.0077 -0.0129 3815 ASP 73 O 0.0056 -0.0089 -0.0143 3816 ASP 73 CB 0.0124 -0.0043 -0.0138 3817 ASP 73 CG 0.0129 -0.0047 -0.0162 3818 ASP 73 OD1 0.0142 -0.0043 -0.0181 3819 ASP 73 OD2 0.0176 -0.0011 -0.0143 3820 GLY 74 N 0.0047 -0.0081 -0.0089 3821 GLY 74 CA 0.0026 -0.0091 -0.0076 3822 GLY 74 C -0.0008 -0.0115 -0.0084 3823 GLY 74 O -0.0027 -0.0127 -0.0084 3824 LEU 75 N -0.0014 -0.0123 -0.0100 3825 LEU 75 CA -0.0042 -0.0146 -0.0119 3826 LEU 75 C -0.0043 -0.0155 -0.0149 3827 LEU 75 O -0.0067 -0.0174 -0.0160 3828 LEU 75 CB -0.0052 -0.0154 -0.0122 3829 LEU 75 CG -0.0068 -0.0157 -0.0094 3830 LEU 75 CD1 -0.0079 -0.0156 -0.0064 3831 LEU 75 CD2 -0.0065 -0.0153 -0.0085 3832 ALA 76 N -0.0002 -0.0179 -0.0222 3833 ALA 76 CA 0.0047 -0.0190 -0.0222 3834 ALA 76 C 0.0049 -0.0165 -0.0200 3835 ALA 76 O 0.0070 -0.0164 -0.0195 3836 ALA 76 CB 0.0059 -0.0209 -0.0235 3837 HIS 77 N 0.0035 -0.0131 -0.0175 3838 HIS 77 CA 0.0051 -0.0107 -0.0152 3839 HIS 77 C 0.0025 -0.0070 -0.0127 3840 HIS 77 O 0.0026 -0.0041 -0.0103 3841 HIS 77 CB 0.0091 -0.0089 -0.0129 3842 HIS 77 CG 0.0127 -0.0114 -0.0142 3843 HIS 77 ND1 0.0122 -0.0132 -0.0158 3844 HIS 77 CD2 0.0162 -0.0115 -0.0136 3845 HIS 77 CE1 0.0170 -0.0164 -0.0175 3846 HIS 77 NE2 0.0173 -0.0156 -0.0168 3847 LEU 78 N -0.0016 -0.0078 -0.0141 3848 LEU 78 CA -0.0043 -0.0055 -0.0129 3849 LEU 78 C -0.0050 -0.0023 -0.0103 3850 LEU 78 O -0.0067 -0.0001 -0.0088 3851 LEU 78 CB -0.0092 -0.0072 -0.0152 3852 LEU 78 CG -0.0123 -0.0076 -0.0162 3853 LEU 78 CD1 -0.0146 -0.0106 -0.0192 3854 LEU 78 CD2 -0.0131 -0.0069 -0.0158 3855 ASP 79 N 0.0027 0.0007 -0.0078 3856 ASP 79 CA 0.0037 0.0043 -0.0070 3857 ASP 79 C 0.0057 0.0049 -0.0056 3858 ASP 79 O 0.0063 0.0077 -0.0051 3859 ASP 79 CB 0.0070 0.0027 -0.0046 3860 ASP 79 CG 0.0065 0.0012 -0.0049 3861 ASP 79 OD1 0.0099 0.0016 -0.0023 3862 ASP 79 OD2 0.0056 0.0057 -0.0056 3863 ASN 80 N 0.0043 0.0019 -0.0066 3864 ASN 80 CA 0.0047 0.0033 -0.0063 3865 ASN 80 C 0.0025 0.0006 -0.0079 3866 ASN 80 O 0.0032 -0.0004 -0.0073 3867 ASN 80 CB 0.0069 0.0022 -0.0046 3868 ASN 80 CG 0.0090 0.0009 -0.0030 3869 ASN 80 OD1 0.0099 0.0032 -0.0023 3870 ASN 80 ND2 0.0087 -0.0018 -0.0032 3871 LEU 81 N 0.0003 0.0029 -0.0096 3872 LEU 81 CA -0.0021 0.0014 -0.0114 3873 LEU 81 C -0.0017 0.0022 -0.0111 3874 LEU 81 O -0.0023 0.0000 -0.0115 3875 LEU 81 CB -0.0045 0.0031 -0.0132 3876 LEU 81 CG -0.0058 0.0013 -0.0142 3877 LEU 81 CD1 -0.0076 0.0031 -0.0156 3878 LEU 81 CD2 -0.0061 -0.0023 -0.0144 3879 LYS 82 N -0.0050 -0.0036 -0.0077 3880 LYS 82 CA -0.0030 -0.0016 -0.0061 3881 LYS 82 C -0.0002 -0.0014 -0.0074 3882 LYS 82 O 0.0016 -0.0003 -0.0069 3883 LYS 82 CB -0.0037 -0.0006 -0.0043 3884 LYS 82 CG -0.0057 -0.0001 -0.0025 3885 LYS 82 CD -0.0063 0.0014 -0.0001 3886 LYS 82 CE -0.0107 0.0002 0.0006 3887 LYS 82 NZ -0.0104 0.0001 0.0002 3888 GLY 83 N 0.0012 -0.0024 -0.0096 3889 GLY 83 CA 0.0040 -0.0019 -0.0104 3890 GLY 83 C 0.0047 -0.0028 -0.0120 3891 GLY 83 O 0.0069 -0.0017 -0.0117 3892 THR 84 N 0.0027 -0.0043 -0.0130 3893 THR 84 CA 0.0035 -0.0049 -0.0143 3894 THR 84 C 0.0044 -0.0033 -0.0125 3895 THR 84 O 0.0055 -0.0037 -0.0136 3896 THR 84 CB 0.0012 -0.0068 -0.0156 3897 THR 84 OG1 0.0010 -0.0078 -0.0168 3898 THR 84 CG2 0.0013 -0.0079 -0.0171 3899 PHE 85 N -0.0018 -0.0014 -0.0108 3900 PHE 85 CA -0.0005 -0.0003 -0.0088 3901 PHE 85 C -0.0009 -0.0003 -0.0094 3902 PHE 85 O -0.0001 0.0001 -0.0081 3903 PHE 85 CB 0.0005 -0.0020 -0.0070 3904 PHE 85 CG 0.0011 -0.0010 -0.0062 3905 PHE 85 CD1 0.0010 -0.0026 -0.0063 3906 PHE 85 CD2 0.0018 0.0010 -0.0050 3907 PHE 85 CE1 0.0015 -0.0020 -0.0054 3908 PHE 85 CE2 0.0022 0.0017 -0.0044 3909 PHE 85 CZ 0.0021 0.0004 -0.0045 3910 ALA 86 N -0.0020 -0.0011 -0.0112 3911 ALA 86 CA -0.0022 -0.0016 -0.0115 3912 ALA 86 C -0.0020 0.0010 -0.0111 3913 ALA 86 O -0.0013 0.0008 -0.0101 3914 ALA 86 CB -0.0038 -0.0018 -0.0141 3915 THR 87 N -0.0023 0.0029 -0.0117 3916 THR 87 CA -0.0020 0.0051 -0.0112 3917 THR 87 C -0.0005 0.0057 -0.0089 3918 THR 87 O -0.0001 0.0062 -0.0081 3919 THR 87 CB -0.0026 0.0074 -0.0123 3920 THR 87 OG1 -0.0040 0.0069 -0.0144 3921 THR 87 CG2 -0.0025 0.0094 -0.0122 3922 LEU 88 N -0.0018 0.0053 -0.0041 3923 LEU 88 CA -0.0005 0.0056 -0.0028 3924 LEU 88 C -0.0003 0.0039 -0.0009 3925 LEU 88 O 0.0011 0.0041 0.0006 3926 LEU 88 CB -0.0005 0.0059 -0.0032 3927 LEU 88 CG -0.0001 0.0078 -0.0045 3928 LEU 88 CD1 -0.0007 0.0076 -0.0051 3929 LEU 88 CD2 0.0014 0.0090 -0.0040 3930 SER 89 N -0.0018 0.0022 -0.0011 3931 SER 89 CA -0.0018 0.0006 0.0005 3932 SER 89 C -0.0007 0.0008 0.0017 3933 SER 89 O 0.0004 0.0005 0.0032 3934 SER 89 CB -0.0034 -0.0010 0.0003 3935 SER 89 OG -0.0033 -0.0025 0.0019 3936 GLU 90 N -0.0012 0.0013 0.0006 3937 GLU 90 CA -0.0003 0.0018 0.0011 3938 GLU 90 C 0.0016 0.0033 0.0018 3939 GLU 90 O 0.0025 0.0031 0.0031 3940 GLU 90 CB -0.0014 0.0021 -0.0005 3941 GLU 90 CG -0.0007 0.0018 0.0006 3942 GLU 90 CD -0.0029 0.0019 -0.0019 3943 GLU 90 OE1 -0.0012 0.0038 -0.0018 3944 GLU 90 OE2 -0.0035 0.0022 -0.0030 3945 LEU 91 N -0.0036 0.0039 0.0027 3946 LEU 91 CA -0.0022 0.0050 0.0035 3947 LEU 91 C -0.0004 0.0044 0.0048 3948 LEU 91 O 0.0008 0.0047 0.0057 3949 LEU 91 CB -0.0023 0.0071 0.0030 3950 LEU 91 CG -0.0008 0.0089 0.0037 3951 LEU 91 CD1 -0.0007 0.0097 0.0037 3952 LEU 91 CD2 -0.0008 0.0107 0.0034 3953 HIS 92 N -0.0002 0.0037 0.0051 3954 HIS 92 CA 0.0017 0.0035 0.0065 3955 HIS 92 C 0.0018 0.0011 0.0070 3956 HIS 92 O 0.0032 0.0010 0.0080 3957 HIS 92 CB 0.0015 0.0027 0.0065 3958 HIS 92 CG 0.0022 0.0046 0.0066 3959 HIS 92 ND1 0.0007 0.0059 0.0054 3960 HIS 92 CD2 0.0034 0.0057 0.0073 3961 HIS 92 CE1 0.0017 0.0074 0.0058 3962 HIS 92 NE2 0.0033 0.0077 0.0068 3963 CYS 93 N 0.0004 -0.0001 0.0062 3964 CYS 93 CA 0.0007 -0.0019 0.0068 3965 CYS 93 C 0.0011 -0.0011 0.0069 3966 CYS 93 O 0.0022 -0.0015 0.0078 3967 CYS 93 CB -0.0008 -0.0032 0.0060 3968 CYS 93 SG -0.0005 -0.0056 0.0066 3969 ASP 94 N -0.0004 0.0003 0.0058 3970 ASP 94 CA -0.0013 -0.0004 0.0054 3971 ASP 94 C -0.0017 -0.0005 0.0056 3972 ASP 94 O -0.0022 -0.0010 0.0051 3973 ASP 94 CB -0.0019 -0.0004 0.0059 3974 ASP 94 CG -0.0016 -0.0004 0.0056 3975 ASP 94 OD1 -0.0010 -0.0004 0.0051 3976 ASP 94 OD2 -0.0021 -0.0002 0.0064 3977 LYS 95 N -0.0017 -0.0001 0.0063 3978 LYS 95 CA -0.0023 -0.0002 0.0066 3979 LYS 95 C -0.0017 -0.0001 0.0063 3980 LYS 95 O -0.0018 -0.0003 0.0059 3981 LYS 95 CB -0.0028 0.0001 0.0076 3982 LYS 95 CG -0.0033 0.0001 0.0080 3983 LYS 95 CD -0.0044 -0.0009 0.0071 3984 LYS 95 CE -0.0052 -0.0013 0.0070 3985 LYS 95 NZ -0.0058 -0.0022 0.0061 3986 LEU 96 N -0.0007 0.0005 0.0065 3987 LEU 96 CA -0.0001 0.0008 0.0064 3988 LEU 96 C 0.0006 0.0005 0.0054 3989 LEU 96 O 0.0010 0.0006 0.0052 3990 LEU 96 CB 0.0004 0.0014 0.0073 3991 LEU 96 CG -0.0002 0.0017 0.0083 3992 LEU 96 CD1 0.0004 0.0024 0.0090 3993 LEU 96 CD2 -0.0008 0.0014 0.0083 3994 HIS 97 N -0.0025 -0.0022 0.0066 3995 HIS 97 CA -0.0017 -0.0027 0.0054 3996 HIS 97 C -0.0002 -0.0024 0.0057 3997 HIS 97 O 0.0004 -0.0026 0.0053 3998 HIS 97 CB -0.0023 -0.0032 0.0045 3999 HIS 97 CG -0.0039 -0.0036 0.0040 4000 HIS 97 ND1 -0.0041 -0.0038 0.0035 4001 HIS 97 CD2 -0.0050 -0.0034 0.0046 4002 HIS 97 CE1 -0.0057 -0.0041 0.0032 4003 HIS 97 NE2 -0.0059 -0.0038 0.0038 4004 VAL 98 N 0.0004 -0.0019 0.0068 4005 VAL 98 CA 0.0017 -0.0015 0.0073 4006 VAL 98 C 0.0031 -0.0018 0.0065 4007 VAL 98 O 0.0031 -0.0017 0.0066 4008 VAL 98 CB 0.0019 -0.0009 0.0087 4009 VAL 98 CG1 0.0034 -0.0005 0.0092 4010 VAL 98 CG2 0.0007 -0.0006 0.0094 4011 ASP 99 N 0.0040 -0.0020 0.0059 4012 ASP 99 CA 0.0054 -0.0021 0.0053 4013 ASP 99 C 0.0061 -0.0016 0.0064 4014 ASP 99 O 0.0064 -0.0011 0.0073 4015 ASP 99 CB 0.0062 -0.0023 0.0047 4016 ASP 99 CG 0.0077 -0.0026 0.0039 4017 ASP 99 OD1 0.0081 -0.0028 0.0034 4018 ASP 99 OD2 0.0079 -0.0025 0.0040 4019 PRO 100 N 0.0057 -0.0013 0.0073 4020 PRO 100 CA 0.0053 -0.0003 0.0075 4021 PRO 100 C 0.0060 0.0005 0.0069 4022 PRO 100 O 0.0057 0.0014 0.0070 4023 PRO 100 CB 0.0044 -0.0004 0.0082 4024 PRO 100 CG 0.0044 -0.0013 0.0083 4025 PRO 100 CD 0.0052 -0.0020 0.0078 4026 GLU 101 N 0.0067 0.0000 0.0065 4027 GLU 101 CA 0.0072 0.0007 0.0060 4028 GLU 101 C 0.0076 0.0014 0.0056 4029 GLU 101 O 0.0078 0.0024 0.0054 4030 GLU 101 CB 0.0079 0.0000 0.0055 4031 GLU 101 CG 0.0086 0.0009 0.0049 4032 GLU 101 CD 0.0082 0.0019 0.0051 4033 GLU 101 OE1 0.0077 0.0013 0.0055 4034 GLU 101 OE2 0.0090 0.0024 0.0044 4035 ASN 102 N 0.0076 0.0010 0.0056 4036 ASN 102 CA 0.0079 0.0016 0.0053 4037 ASN 102 C 0.0073 0.0026 0.0057 4038 ASN 102 O 0.0077 0.0035 0.0053 4039 ASN 102 CB 0.0079 0.0010 0.0055 4040 ASN 102 CG 0.0086 0.0002 0.0050 4041 ASN 102 OD1 0.0093 0.0003 0.0044 4042 ASN 102 ND2 0.0084 -0.0009 0.0052 4043 PHE 103 N 0.0066 0.0040 0.0040 4044 PHE 103 CA 0.0052 0.0051 0.0037 4045 PHE 103 C 0.0045 0.0062 0.0030 4046 PHE 103 O 0.0040 0.0075 0.0019 4047 PHE 103 CB 0.0038 0.0049 0.0048 4048 PHE 103 CG 0.0046 0.0037 0.0055 4049 PHE 103 CD1 0.0060 0.0037 0.0046 4050 PHE 103 CD2 0.0039 0.0027 0.0069 4051 PHE 103 CE1 0.0066 0.0028 0.0052 4052 PHE 103 CE2 0.0046 0.0018 0.0074 4053 PHE 103 CZ 0.0060 0.0018 0.0067 4054 ARG 104 N 0.0043 0.0057 0.0036 4055 ARG 104 CA 0.0035 0.0065 0.0032 4056 ARG 104 C 0.0048 0.0073 0.0017 4057 ARG 104 O 0.0042 0.0084 0.0008 4058 ARG 104 CB 0.0031 0.0057 0.0044 4059 ARG 104 CG 0.0019 0.0052 0.0055 4060 ARG 104 CD 0.0015 0.0042 0.0069 4061 ARG 104 NE -0.0002 0.0041 0.0079 4062 ARG 104 CZ 0.0000 0.0019 0.0101 4063 ARG 104 NH1 0.0012 0.0021 0.0091 4064 ARG 104 NH2 -0.0015 0.0027 0.0102 4065 LEU 105 N 0.0064 0.0064 0.0016 4066 LEU 105 CA 0.0076 0.0069 0.0003 4067 LEU 105 C 0.0077 0.0081 -0.0009 4068 LEU 105 O 0.0075 0.0092 -0.0020 4069 LEU 105 CB 0.0091 0.0059 0.0005 4070 LEU 105 CG 0.0098 0.0047 0.0013 4071 LEU 105 CD1 0.0113 0.0036 0.0016 4072 LEU 105 CD2 0.0091 0.0053 0.0012 4073 LEU 106 N 0.0075 0.0082 -0.0018 4074 LEU 106 CA 0.0075 0.0082 -0.0019 4075 LEU 106 C 0.0073 0.0086 -0.0018 4076 LEU 106 O 0.0073 0.0088 -0.0021 4077 LEU 106 CB 0.0076 0.0078 -0.0015 4078 LEU 106 CG 0.0077 0.0076 -0.0016 4079 LEU 106 CD1 0.0078 0.0075 -0.0022 4080 LEU 106 CD2 0.0078 0.0073 -0.0012 4081 GLY 107 N 0.0072 0.0089 -0.0014 4082 GLY 107 CA 0.0070 0.0094 -0.0013 4083 GLY 107 C 0.0069 0.0098 -0.0017 4084 GLY 107 O 0.0068 0.0100 -0.0019 4085 ASN 108 N 0.0069 0.0098 -0.0020 4086 ASN 108 CA 0.0068 0.0101 -0.0025 4087 ASN 108 C 0.0069 0.0100 -0.0029 4088 ASN 108 O 0.0068 0.0103 -0.0033 4089 ASN 108 CB 0.0068 0.0102 -0.0026 4090 ASN 108 CG 0.0066 0.0106 -0.0021 4091 ASN 108 OD1 0.0065 0.0109 -0.0019 4092 ASN 108 ND2 0.0066 0.0106 -0.0023 4093 VAL 109 N 0.0065 0.0082 -0.0018 4094 VAL 109 CA 0.0058 0.0069 -0.0020 4095 VAL 109 C 0.0064 0.0059 -0.0010 4096 VAL 109 O 0.0060 0.0054 -0.0013 4097 VAL 109 CB 0.0051 0.0060 -0.0023 4098 VAL 109 CG1 0.0044 0.0044 -0.0025 4099 VAL 109 CG2 0.0043 0.0068 -0.0035 4100 LEU 110 N 0.0074 0.0058 0.0000 4101 LEU 110 CA 0.0081 0.0049 0.0010 4102 LEU 110 C 0.0083 0.0054 0.0010 4103 LEU 110 O 0.0084 0.0047 0.0014 4104 LEU 110 CB 0.0091 0.0049 0.0020 4105 LEU 110 CG 0.0099 0.0041 0.0031 4106 LEU 110 CD1 0.0095 0.0026 0.0032 4107 LEU 110 CD2 0.0111 0.0042 0.0041 4108 VAL 111 N 0.0086 0.0071 0.0007 4109 VAL 111 CA 0.0089 0.0078 0.0007 4110 VAL 111 C 0.0079 0.0073 -0.0001 4111 VAL 111 O 0.0080 0.0070 0.0001 4112 VAL 111 CB 0.0094 0.0095 0.0006 4113 VAL 111 CG1 0.0094 0.0102 0.0003 4114 VAL 111 CG2 0.0106 0.0098 0.0017 4115 CYS 112 N 0.0114 0.0068 0.0029 4116 CYS 112 CA 0.0106 0.0065 0.0023 4117 CYS 112 C 0.0102 0.0051 0.0034 4118 CYS 112 O 0.0102 0.0050 0.0035 4119 CYS 112 CB 0.0094 0.0063 0.0009 4120 CYS 112 SG 0.0099 0.0080 -0.0005 4121 VAL 113 N 0.0099 0.0042 0.0040 4122 VAL 113 CA 0.0093 0.0028 0.0050 4123 VAL 113 C 0.0103 0.0027 0.0064 4124 VAL 113 O 0.0101 0.0022 0.0068 4125 VAL 113 CB 0.0088 0.0019 0.0054 4126 VAL 113 CG1 0.0085 0.0006 0.0066 4127 VAL 113 CG2 0.0073 0.0016 0.0039 4128 LEU 114 N 0.0115 0.0035 0.0070 4129 LEU 114 CA 0.0126 0.0036 0.0082 4130 LEU 114 C 0.0128 0.0041 0.0079 4131 LEU 114 O 0.0129 0.0037 0.0086 4132 LEU 114 CB 0.0137 0.0044 0.0087 4133 LEU 114 CG 0.0135 0.0038 0.0092 4134 LEU 114 CD1 0.0147 0.0047 0.0097 4135 LEU 114 CD2 0.0134 0.0024 0.0107 4136 ALA 115 N 0.0149 0.0030 0.0127 4137 ALA 115 CA 0.0143 0.0041 0.0115 4138 ALA 115 C 0.0137 0.0028 0.0103 4139 ALA 115 O 0.0135 0.0031 0.0100 4140 ALA 115 CB 0.0139 0.0056 0.0108 4141 HIS 116 N 0.0133 0.0017 0.0096 4142 HIS 116 CA 0.0127 0.0005 0.0085 4143 HIS 116 C 0.0130 -0.0007 0.0091 4144 HIS 116 O 0.0126 -0.0011 0.0083 4145 HIS 116 CB 0.0124 -0.0005 0.0080 4146 HIS 116 CG 0.0117 -0.0017 0.0067 4147 HIS 116 ND1 0.0118 -0.0032 0.0068 4148 HIS 116 CD2 0.0110 -0.0012 0.0054 4149 HIS 116 CE1 0.0110 -0.0040 0.0053 4150 HIS 116 NE2 0.0105 -0.0027 0.0045 4151 HIS 117 N 0.0137 -0.0013 0.0105 4152 HIS 117 CA 0.0141 -0.0026 0.0112 4153 HIS 117 C 0.0144 -0.0017 0.0116 4154 HIS 117 O 0.0143 -0.0024 0.0115 4155 HIS 117 CB 0.0148 -0.0035 0.0125 4156 HIS 117 CG 0.0152 -0.0046 0.0131 4157 HIS 117 ND1 0.0147 -0.0066 0.0122 4158 HIS 117 CD2 0.0157 -0.0051 0.0142 4159 HIS 117 CE1 0.0154 -0.0074 0.0135 4160 HIS 117 NE2 0.0158 -0.0066 0.0143 4161 PHE 118 N 0.0156 0.0059 0.0155 4162 PHE 118 CA 0.0128 0.0078 0.0148 4163 PHE 118 C 0.0124 0.0087 0.0140 4164 PHE 118 O 0.0102 0.0106 0.0131 4165 PHE 118 CB 0.0103 0.0071 0.0167 4166 PHE 118 CG 0.0108 0.0066 0.0171 4167 PHE 118 CD1 0.0113 0.0048 0.0187 4168 PHE 118 CD2 0.0101 0.0086 0.0152 4169 PHE 118 CE1 0.0118 0.0042 0.0193 4170 PHE 118 CE2 0.0105 0.0081 0.0156 4171 PHE 118 CZ 0.0119 0.0061 0.0171 4172 GLY 119 N 0.0135 0.0078 0.0144 4173 GLY 119 CA 0.0132 0.0089 0.0134 4174 GLY 119 C 0.0100 0.0091 0.0148 4175 GLY 119 O 0.0084 0.0081 0.0166 4176 LYS 120 N 0.0087 0.0113 0.0130 4177 LYS 120 CA 0.0061 0.0118 0.0138 4178 LYS 120 C 0.0038 0.0123 0.0144 4179 LYS 120 O 0.0014 0.0119 0.0159 4180 LYS 120 CB 0.0059 0.0140 0.0115 4181 LYS 120 CG 0.0042 0.0156 0.0105 4182 LYS 120 CD 0.0026 0.0183 0.0084 4183 LYS 120 CE 0.0035 0.0195 0.0067 4184 LYS 120 NZ 0.0001 0.0229 0.0047 4185 GLU 121 N 0.0059 0.0122 0.0167 4186 GLU 121 CA 0.0043 0.0121 0.0152 4187 GLU 121 C 0.0032 0.0104 0.0137 4188 GLU 121 O 0.0019 0.0097 0.0123 4189 GLU 121 CB 0.0026 0.0148 0.0148 4190 GLU 121 CG 0.0013 0.0148 0.0137 4191 GLU 121 CD -0.0002 0.0179 0.0135 4192 GLU 121 OE1 -0.0020 0.0173 0.0117 4193 GLU 121 OE2 0.0003 0.0189 0.0143 4194 PHE 122 N 0.0041 0.0102 0.0143 4195 PHE 122 CA 0.0033 0.0085 0.0131 4196 PHE 122 C 0.0045 0.0061 0.0132 4197 PHE 122 O 0.0057 0.0050 0.0138 4198 PHE 122 CB 0.0038 0.0093 0.0138 4199 PHE 122 CG 0.0027 0.0084 0.0124 4200 PHE 122 CD1 0.0009 0.0088 0.0111 4201 PHE 122 CD2 0.0034 0.0065 0.0124 4202 PHE 122 CE1 -0.0003 0.0079 0.0097 4203 PHE 122 CE2 0.0026 0.0053 0.0112 4204 PHE 122 CZ 0.0008 0.0062 0.0100 4205 THR 123 N 0.0040 0.0053 0.0124 4206 THR 123 CA 0.0052 0.0030 0.0126 4207 THR 123 C 0.0047 0.0012 0.0115 4208 THR 123 O 0.0034 0.0014 0.0105 4209 THR 123 CB 0.0045 0.0025 0.0119 4210 THR 123 OG1 0.0026 0.0028 0.0103 4211 THR 123 CG2 0.0048 0.0049 0.0130 4212 PRO 124 N -0.0012 -0.0027 0.0132 4213 PRO 124 CA -0.0010 -0.0031 0.0114 4214 PRO 124 C -0.0010 -0.0028 0.0085 4215 PRO 124 O -0.0014 -0.0014 0.0071 4216 PRO 124 CB -0.0002 -0.0054 0.0127 4217 PRO 124 CG -0.0003 -0.0057 0.0157 4218 PRO 124 CD -0.0006 -0.0049 0.0153 4219 PRO 125 N -0.0005 -0.0041 0.0070 4220 PRO 125 CA -0.0004 -0.0038 0.0043 4221 PRO 125 C -0.0013 -0.0012 0.0029 4222 PRO 125 O -0.0016 -0.0001 0.0007 4223 PRO 125 CB 0.0003 -0.0058 0.0037 4224 PRO 125 CG 0.0009 -0.0076 0.0057 4225 PRO 125 CD 0.0004 -0.0067 0.0082 4226 VAL 126 N -0.0019 0.0001 0.0049 4227 VAL 126 CA -0.0028 0.0029 0.0040 4228 VAL 126 C -0.0036 0.0050 0.0039 4229 VAL 126 O -0.0040 0.0065 0.0022 4230 VAL 126 CB -0.0033 0.0039 0.0064 4231 VAL 126 CG1 -0.0042 0.0064 0.0054 4232 VAL 126 CG2 -0.0025 0.0019 0.0054 4233 GLN 127 N -0.0025 0.0061 0.0029 4234 GLN 127 CA -0.0029 0.0061 0.0021 4235 GLN 127 C -0.0034 0.0052 -0.0002 4236 GLN 127 O -0.0047 0.0059 -0.0014 4237 GLN 127 CB -0.0017 0.0057 0.0036 4238 GLN 127 CG -0.0022 0.0056 0.0026 4239 GLN 127 CD -0.0007 0.0046 0.0036 4240 GLN 127 OE1 0.0005 0.0044 0.0053 4241 GLN 127 NE2 -0.0011 0.0047 0.0029 4242 ALA 128 N -0.0022 0.0035 -0.0010 4243 ALA 128 CA -0.0023 0.0023 -0.0032 4244 ALA 128 C -0.0040 0.0032 -0.0048 4245 ALA 128 O -0.0048 0.0031 -0.0063 4246 ALA 128 CB -0.0008 0.0006 -0.0035 4247 ALA 129 N -0.0045 0.0041 -0.0040 4248 ALA 129 CA -0.0061 0.0050 -0.0053 4249 ALA 129 C -0.0076 0.0065 -0.0055 4250 ALA 129 O -0.0088 0.0068 -0.0072 4251 ALA 129 CB -0.0062 0.0056 -0.0045 4252 TYR 130 N -0.0033 0.0085 -0.0011 4253 TYR 130 CA -0.0044 0.0081 -0.0013 4254 TYR 130 C -0.0047 0.0083 -0.0027 4255 TYR 130 O -0.0055 0.0080 -0.0030 4256 TYR 130 CB -0.0050 0.0079 -0.0010 4257 TYR 130 CG -0.0053 0.0076 0.0002 4258 TYR 130 CD1 -0.0063 0.0072 0.0004 4259 TYR 130 CD2 -0.0047 0.0076 0.0012 4260 TYR 130 CE1 -0.0068 0.0068 0.0015 4261 TYR 130 CE2 -0.0051 0.0073 0.0024 4262 TYR 130 CZ -0.0060 0.0069 0.0026 4263 TYR 130 OH -0.0064 0.0066 0.0036 4264 GLN 131 N -0.0040 0.0086 -0.0033 4265 GLN 131 CA -0.0041 0.0088 -0.0046 4266 GLN 131 C -0.0041 0.0088 -0.0050 4267 GLN 131 O -0.0047 0.0087 -0.0056 4268 GLN 131 CB -0.0034 0.0092 -0.0054 4269 GLN 131 CG -0.0036 0.0091 -0.0053 4270 GLN 131 CD -0.0046 0.0088 -0.0062 4271 GLN 131 OE1 -0.0047 0.0088 -0.0058 4272 GLN 131 NE2 -0.0052 0.0087 -0.0067 4273 LYS 132 N -0.0033 0.0090 -0.0044 4274 LYS 132 CA -0.0032 0.0091 -0.0047 4275 LYS 132 C -0.0042 0.0087 -0.0043 4276 LYS 132 O -0.0047 0.0086 -0.0048 4277 LYS 132 CB -0.0022 0.0094 -0.0040 4278 LYS 132 CG -0.0011 0.0099 -0.0046 4279 LYS 132 CD -0.0001 0.0101 -0.0037 4280 LYS 132 CE 0.0008 0.0104 -0.0038 4281 LYS 132 NZ 0.0019 0.0107 -0.0031 4282 VAL 133 N -0.0100 0.0062 -0.0075 4283 VAL 133 CA -0.0097 0.0069 -0.0080 4284 VAL 133 C -0.0085 0.0068 -0.0072 4285 VAL 133 O -0.0084 0.0068 -0.0071 4286 VAL 133 CB -0.0096 0.0080 -0.0089 4287 VAL 133 CG1 -0.0088 0.0087 -0.0091 4288 VAL 133 CG2 -0.0107 0.0080 -0.0096 4289 VAL 134 N -0.0077 0.0069 -0.0068 4290 VAL 134 CA -0.0066 0.0070 -0.0062 4291 VAL 134 C -0.0066 0.0060 -0.0052 4292 VAL 134 O -0.0062 0.0060 -0.0050 4293 VAL 134 CB -0.0056 0.0073 -0.0060 4294 VAL 134 CG1 -0.0054 0.0083 -0.0068 4295 VAL 134 CG2 -0.0058 0.0066 -0.0053 4296 ALA 135 N -0.0074 0.0052 -0.0050 4297 ALA 135 CA -0.0076 0.0043 -0.0041 4298 ALA 135 C -0.0083 0.0043 -0.0045 4299 ALA 135 O -0.0081 0.0039 -0.0040 4300 ALA 135 CB -0.0085 0.0035 -0.0038 4301 GLY 136 N -0.0109 0.0036 -0.0043 4302 GLY 136 CA -0.0110 0.0036 -0.0044 4303 GLY 136 C -0.0086 0.0037 -0.0043 4304 GLY 136 O -0.0078 0.0034 -0.0031 4305 VAL 137 N -0.0074 0.0041 -0.0057 4306 VAL 137 CA -0.0052 0.0043 -0.0060 4307 VAL 137 C -0.0035 0.0039 -0.0045 4308 VAL 137 O -0.0026 0.0037 -0.0034 4309 VAL 137 CB -0.0039 0.0049 -0.0082 4310 VAL 137 CG1 -0.0014 0.0050 -0.0083 4311 VAL 137 CG2 -0.0053 0.0053 -0.0099 4312 ALA 138 N -0.0039 0.0036 -0.0034 4313 ALA 138 CA -0.0027 0.0031 -0.0014 4314 ALA 138 C -0.0031 0.0027 0.0003 4315 ALA 138 O -0.0018 0.0024 0.0016 4316 ALA 138 CB -0.0033 0.0029 -0.0007 4317 ASN 139 N -0.0062 0.0001 0.0008 4318 ASN 139 CA -0.0070 -0.0007 0.0019 4319 ASN 139 C -0.0066 -0.0004 0.0016 4320 ASN 139 O -0.0062 -0.0008 0.0026 4321 ASN 139 CB -0.0086 -0.0009 0.0017 4322 ASN 139 CG -0.0096 -0.0017 0.0028 4323 ASN 139 OD1 -0.0100 -0.0021 0.0034 4324 ASN 139 ND2 -0.0085 -0.0019 0.0036 4325 ALA 140 N -0.0068 0.0004 -0.0000 4326 ALA 140 CA -0.0065 0.0008 -0.0007 4327 ALA 140 C -0.0044 0.0010 -0.0003 4328 ALA 140 O -0.0042 0.0008 0.0002 4329 ALA 140 CB -0.0067 0.0017 -0.0024 4330 LEU 141 N -0.0033 0.0013 -0.0004 4331 LEU 141 CA -0.0015 0.0015 0.0001 4332 LEU 141 C -0.0010 0.0006 0.0018 4333 LEU 141 O 0.0003 0.0005 0.0025 4334 LEU 141 CB -0.0004 0.0021 -0.0007 4335 LEU 141 CG -0.0001 0.0030 -0.0024 4336 LEU 141 CD1 0.0013 0.0034 -0.0025 4337 LEU 141 CD2 0.0012 0.0033 -0.0023 4338 ALA 142 N -0.0017 -0.0020 0.0038 4339 ALA 142 CA -0.0015 -0.0035 0.0051 4340 ALA 142 C -0.0030 -0.0047 0.0050 4341 ALA 142 O -0.0025 -0.0058 0.0061 4342 ALA 142 CB -0.0012 -0.0048 0.0061 4343 HIS 143 N -0.0046 -0.0043 0.0037 4344 HIS 143 CA -0.0064 -0.0053 0.0034 4345 HIS 143 C -0.0060 -0.0056 0.0038 4346 HIS 143 O -0.0069 -0.0071 0.0043 4347 HIS 143 CB -0.0081 -0.0048 0.0020 4348 HIS 143 CG -0.0097 -0.0057 0.0017 4349 HIS 143 ND1 -0.0106 -0.0051 0.0007 4350 HIS 143 CD2 -0.0108 -0.0080 0.0026 4351 HIS 143 CE1 -0.0122 -0.0071 0.0012 4352 HIS 143 NE2 -0.0124 -0.0083 0.0019 4353 LYS 144 N -0.0049 -0.0042 0.0035 4354 LYS 144 CA -0.0043 -0.0039 0.0036 4355 LYS 144 C -0.0031 -0.0048 0.0050 4356 LYS 144 O -0.0023 -0.0046 0.0053 4357 LYS 144 CB -0.0049 -0.0027 0.0025 4358 LYS 144 CG -0.0068 -0.0021 0.0008 4359 LYS 144 CD -0.0082 -0.0027 0.0004 4360 LYS 144 CE -0.0097 -0.0026 -0.0005 4361 LYS 144 NZ -0.0112 -0.0023 -0.0017 4362 TYR 145 N -0.0013 -0.0044 0.0090 4363 TYR 145 CA -0.0005 -0.0057 0.0082 4364 TYR 145 C -0.0009 -0.0073 0.0079 4365 TYR 145 O -0.0012 -0.0070 0.0082 4366 TYR 145 CB 0.0013 -0.0051 0.0073 4367 TYR 145 CG 0.0020 -0.0044 0.0071 4368 TYR 145 CD1 0.0030 -0.0049 0.0064 4369 TYR 145 CD2 0.0015 -0.0028 0.0078 4370 TYR 145 CE1 0.0036 -0.0042 0.0062 4371 TYR 145 CE2 0.0022 -0.0020 0.0077 4372 TYR 145 CZ 0.0031 -0.0026 0.0070 4373 TYR 145 OH 0.0038 -0.0019 0.0068 4374 HIS 146 N -0.0010 -0.0087 0.0076 4375 HIS 146 CA -0.0013 -0.0105 0.0073 4376 HIS 146 C -0.0007 -0.0117 0.0066 4377 HIS 146 O 0.0001 -0.0116 0.0061 4378 HIS 146 CB -0.0033 -0.0107 0.0084 4379 HIS 146 CG -0.0036 -0.0105 0.0086 4380 HIS 146 ND1 -0.0044 -0.0126 0.0085 4381 HIS 146 CD2 -0.0034 -0.0103 0.0085 4382 HIS 146 CE1 -0.0046 -0.0124 0.0086 4383 HIS 146 NE2 -0.0040 -0.0111 0.0087 4384 HIS 146 OXT -0.0009 -0.0131 0.0063