1 VAL 1 N 0.0006 -0.0129 -0.0059 2 VAL 1 CA 0.0010 -0.0130 -0.0050 3 VAL 1 C 0.0008 -0.0129 -0.0030 4 VAL 1 O -0.0006 -0.0128 -0.0026 5 VAL 1 CB -0.0004 -0.0128 -0.0055 6 VAL 1 CG1 0.0002 -0.0129 -0.0047 7 VAL 1 CG2 -0.0004 -0.0129 -0.0070 8 LEU 2 N 0.0021 -0.0131 -0.0023 9 LEU 2 CA 0.0017 -0.0130 -0.0004 10 LEU 2 C 0.0006 -0.0128 0.0005 11 LEU 2 O 0.0015 -0.0129 -0.0000 12 LEU 2 CB 0.0036 -0.0132 0.0001 13 LEU 2 CG 0.0046 -0.0133 0.0003 14 LEU 2 CD1 0.0040 -0.0132 0.0004 15 LEU 2 CD2 0.0066 -0.0135 0.0003 16 SER 3 N -0.0005 -0.0127 0.0010 17 SER 3 CA -0.0015 -0.0126 0.0020 18 SER 3 C -0.0004 -0.0127 0.0032 19 SER 3 O 0.0008 -0.0128 0.0041 20 SER 3 CB -0.0029 -0.0124 0.0026 21 SER 3 OG -0.0029 -0.0124 0.0039 22 PRO 4 N -0.0007 -0.0113 0.0073 23 PRO 4 CA 0.0003 -0.0102 0.0084 24 PRO 4 C 0.0006 -0.0097 0.0093 25 PRO 4 O 0.0018 -0.0088 0.0096 26 PRO 4 CB -0.0012 -0.0103 0.0103 27 PRO 4 CG -0.0020 -0.0112 0.0094 28 PRO 4 CD -0.0019 -0.0119 0.0074 29 ALA 5 N -0.0005 -0.0106 0.0086 30 ALA 5 CA -0.0001 -0.0101 0.0092 31 ALA 5 C 0.0015 -0.0098 0.0078 32 ALA 5 O 0.0024 -0.0089 0.0084 33 ALA 5 CB -0.0016 -0.0112 0.0087 34 ASP 6 N 0.0018 -0.0103 0.0061 35 ASP 6 CA 0.0035 -0.0098 0.0050 36 ASP 6 C 0.0047 -0.0087 0.0061 37 ASP 6 O 0.0059 -0.0080 0.0059 38 ASP 6 CB 0.0036 -0.0105 0.0034 39 ASP 6 CG 0.0025 -0.0116 0.0023 40 ASP 6 OD1 0.0023 -0.0117 0.0022 41 ASP 6 OD2 0.0020 -0.0123 0.0013 42 LYS 7 N 0.0045 -0.0103 0.0061 43 LYS 7 CA 0.0052 -0.0094 0.0066 44 LYS 7 C 0.0056 -0.0078 0.0075 45 LYS 7 O 0.0068 -0.0073 0.0076 46 LYS 7 CB 0.0040 -0.0100 0.0064 47 LYS 7 CG 0.0036 -0.0116 0.0055 48 LYS 7 CD 0.0021 -0.0121 0.0054 49 LYS 7 CE 0.0015 -0.0135 0.0046 50 LYS 7 NZ 0.0004 -0.0134 0.0048 51 THR 8 N 0.0044 -0.0073 0.0079 52 THR 8 CA 0.0049 -0.0058 0.0088 53 THR 8 C 0.0064 -0.0053 0.0089 54 THR 8 O 0.0074 -0.0044 0.0093 55 THR 8 CB 0.0032 -0.0053 0.0093 56 THR 8 OG1 0.0020 -0.0055 0.0093 57 THR 8 CG2 0.0035 -0.0040 0.0100 58 ASN 9 N 0.0068 -0.0063 0.0083 59 ASN 9 CA 0.0083 -0.0061 0.0082 60 ASN 9 C 0.0099 -0.0061 0.0080 61 ASN 9 O 0.0111 -0.0055 0.0082 62 ASN 9 CB 0.0084 -0.0071 0.0076 63 ASN 9 CG 0.0071 -0.0068 0.0079 64 ASN 9 OD1 0.0067 -0.0056 0.0087 65 ASN 9 ND2 0.0069 -0.0076 0.0075 66 VAL 10 N 0.0090 -0.0084 0.0068 67 VAL 10 CA 0.0097 -0.0085 0.0066 68 VAL 10 C 0.0096 -0.0072 0.0070 69 VAL 10 O 0.0104 -0.0067 0.0069 70 VAL 10 CB 0.0094 -0.0095 0.0064 71 VAL 10 CG1 0.0100 -0.0094 0.0062 72 VAL 10 CG2 0.0095 -0.0105 0.0060 73 LYS 11 N 0.0085 -0.0070 0.0074 74 LYS 11 CA 0.0083 -0.0060 0.0078 75 LYS 11 C 0.0088 -0.0050 0.0079 76 LYS 11 O 0.0094 -0.0041 0.0079 77 LYS 11 CB 0.0071 -0.0058 0.0081 78 LYS 11 CG 0.0065 -0.0066 0.0081 79 LYS 11 CD 0.0055 -0.0064 0.0085 80 LYS 11 CE 0.0052 -0.0074 0.0083 81 LYS 11 NZ 0.0040 -0.0075 0.0086 82 ALA 12 N 0.0090 -0.0051 0.0078 83 ALA 12 CA 0.0093 -0.0040 0.0080 84 ALA 12 C 0.0105 -0.0040 0.0077 85 ALA 12 O 0.0113 -0.0031 0.0077 86 ALA 12 CB 0.0091 -0.0041 0.0081 87 ALA 13 N 0.0125 -0.0034 0.0048 88 ALA 13 CA 0.0122 -0.0034 0.0048 89 ALA 13 C 0.0117 -0.0035 0.0049 90 ALA 13 O 0.0114 -0.0036 0.0048 91 ALA 13 CB 0.0123 -0.0032 0.0052 92 TRP 14 N 0.0118 -0.0033 0.0051 93 TRP 14 CA 0.0113 -0.0033 0.0052 94 TRP 14 C 0.0112 -0.0036 0.0048 95 TRP 14 O 0.0108 -0.0037 0.0047 96 TRP 14 CB 0.0114 -0.0031 0.0055 97 TRP 14 CG 0.0110 -0.0031 0.0056 98 TRP 14 CD1 0.0108 -0.0032 0.0055 99 TRP 14 CD2 0.0107 -0.0030 0.0059 100 TRP 14 NE1 0.0104 -0.0031 0.0058 101 TRP 14 CE2 0.0103 -0.0030 0.0060 102 TRP 14 CE3 0.0107 -0.0029 0.0061 103 TRP 14 CZ2 0.0101 -0.0029 0.0062 104 TRP 14 CZ3 0.0104 -0.0028 0.0063 105 TRP 14 CH2 0.0101 -0.0028 0.0063 106 GLY 15 N 0.0115 -0.0037 0.0046 107 GLY 15 CA 0.0114 -0.0039 0.0043 108 GLY 15 C 0.0112 -0.0040 0.0041 109 GLY 15 O 0.0108 -0.0042 0.0039 110 LYS 16 N 0.0130 -0.0039 0.0015 111 LYS 16 CA 0.0122 -0.0042 0.0012 112 LYS 16 C 0.0108 -0.0041 0.0013 113 LYS 16 O 0.0100 -0.0045 0.0009 114 LYS 16 CB 0.0124 -0.0043 0.0011 115 LYS 16 CG 0.0115 -0.0050 0.0004 116 LYS 16 CD 0.0125 -0.0061 -0.0005 117 LYS 16 CE 0.0109 -0.0063 -0.0008 118 LYS 16 NZ 0.0106 -0.0063 -0.0008 119 VAL 17 N 0.0107 -0.0031 0.0022 120 VAL 17 CA 0.0097 -0.0027 0.0026 121 VAL 17 C 0.0087 -0.0032 0.0021 122 VAL 17 O 0.0081 -0.0034 0.0019 123 VAL 17 CB 0.0096 -0.0018 0.0034 124 VAL 17 CG1 0.0086 -0.0014 0.0037 125 VAL 17 CG2 0.0100 -0.0013 0.0039 126 GLY 18 N 0.0098 -0.0031 0.0021 127 GLY 18 CA 0.0095 -0.0036 0.0017 128 GLY 18 C 0.0081 -0.0032 0.0021 129 GLY 18 O 0.0083 -0.0023 0.0029 130 ALA 19 N 0.0019 -0.0027 -0.0014 131 ALA 19 CA 0.0005 -0.0021 -0.0014 132 ALA 19 C -0.0007 -0.0017 -0.0016 133 ALA 19 O -0.0023 -0.0008 -0.0013 134 ALA 19 CB -0.0005 -0.0026 -0.0026 135 HIS 20 N -0.0002 -0.0019 -0.0016 136 HIS 20 CA -0.0013 -0.0015 -0.0017 137 HIS 20 C -0.0010 -0.0003 -0.0001 138 HIS 20 O -0.0017 0.0002 0.0001 139 HIS 20 CB -0.0006 -0.0023 -0.0023 140 HIS 20 CG -0.0008 -0.0033 -0.0036 141 HIS 20 ND1 -0.0027 -0.0034 -0.0048 142 HIS 20 CD2 0.0002 -0.0044 -0.0043 143 HIS 20 CE1 -0.0020 -0.0046 -0.0058 144 HIS 20 NE2 -0.0008 -0.0051 -0.0058 145 ALA 21 N -0.0002 0.0000 0.0008 146 ALA 21 CA 0.0004 0.0010 0.0023 147 ALA 21 C -0.0017 0.0021 0.0025 148 ALA 21 O -0.0012 0.0026 0.0033 149 ALA 21 CB 0.0015 0.0013 0.0033 150 GLY 22 N -0.0051 0.0030 0.0045 151 GLY 22 CA -0.0070 0.0035 0.0055 152 GLY 22 C -0.0075 0.0036 0.0055 153 GLY 22 O -0.0086 0.0041 0.0065 154 GLU 23 N -0.0078 0.0027 0.0036 155 GLU 23 CA -0.0083 0.0026 0.0033 156 GLU 23 C -0.0066 0.0031 0.0046 157 GLU 23 O -0.0071 0.0034 0.0052 158 GLU 23 CB -0.0080 0.0015 0.0010 159 GLU 23 CG -0.0088 0.0013 0.0004 160 GLU 23 CD -0.0086 -0.0002 -0.0026 161 GLU 23 OE1 -0.0064 -0.0001 -0.0022 162 GLU 23 OE2 -0.0087 -0.0004 -0.0031 163 TYR 24 N -0.0046 0.0029 0.0044 164 TYR 24 CA -0.0029 0.0033 0.0053 165 TYR 24 C -0.0033 0.0043 0.0075 166 TYR 24 O -0.0027 0.0048 0.0086 167 TYR 24 CB -0.0006 0.0031 0.0051 168 TYR 24 CG 0.0001 0.0020 0.0028 169 TYR 24 CD1 0.0020 0.0016 0.0022 170 TYR 24 CD2 -0.0012 0.0015 0.0016 171 TYR 24 CE1 0.0024 0.0007 0.0001 172 TYR 24 CE2 -0.0009 0.0006 -0.0004 173 TYR 24 CZ 0.0014 0.0002 -0.0010 174 TYR 24 OH 0.0015 -0.0007 -0.0029 175 GLY 25 N -0.0048 0.0049 0.0076 176 GLY 25 CA -0.0056 0.0050 0.0096 177 GLY 25 C -0.0062 0.0051 0.0100 178 GLY 25 O -0.0060 0.0051 0.0115 179 ALA 26 N -0.0076 0.0052 0.0090 180 ALA 26 CA -0.0084 0.0052 0.0092 181 ALA 26 C -0.0072 0.0051 0.0094 182 ALA 26 O -0.0071 0.0051 0.0103 183 ALA 26 CB -0.0097 0.0053 0.0080 184 GLU 27 N -0.0058 0.0050 0.0079 185 GLU 27 CA -0.0043 0.0048 0.0078 186 GLU 27 C -0.0030 0.0048 0.0095 187 GLU 27 O -0.0027 0.0047 0.0102 188 GLU 27 CB -0.0034 0.0047 0.0059 189 GLU 27 CG -0.0018 0.0046 0.0057 190 GLU 27 CD -0.0006 0.0044 0.0037 191 GLU 27 OE1 0.0010 0.0043 0.0039 192 GLU 27 OE2 -0.0013 0.0044 0.0024 193 ALA 28 N -0.0045 0.0054 0.0080 194 ALA 28 CA -0.0039 0.0048 0.0091 195 ALA 28 C -0.0041 0.0042 0.0103 196 ALA 28 O -0.0034 0.0038 0.0111 197 ALA 28 CB -0.0042 0.0047 0.0093 198 LEU 29 N -0.0056 0.0043 0.0103 199 LEU 29 CA -0.0059 0.0037 0.0114 200 LEU 29 C -0.0052 0.0037 0.0114 201 LEU 29 O -0.0048 0.0032 0.0123 202 LEU 29 CB -0.0077 0.0037 0.0114 203 LEU 29 CG -0.0084 0.0037 0.0116 204 LEU 29 CD1 -0.0098 0.0038 0.0113 205 LEU 29 CD2 -0.0083 0.0030 0.0130 206 GLU 30 N -0.0053 0.0042 0.0103 207 GLU 30 CA -0.0045 0.0042 0.0103 208 GLU 30 C -0.0030 0.0040 0.0106 209 GLU 30 O -0.0025 0.0038 0.0112 210 GLU 30 CB -0.0048 0.0048 0.0091 211 GLU 30 CG -0.0040 0.0048 0.0091 212 GLU 30 CD -0.0046 0.0056 0.0076 213 GLU 30 OE1 -0.0050 0.0059 0.0069 214 GLU 30 OE2 -0.0045 0.0055 0.0078 215 ARG 31 N -0.0028 0.0041 0.0059 216 ARG 31 CA -0.0017 0.0037 0.0061 217 ARG 31 C -0.0016 0.0028 0.0071 218 ARG 31 O -0.0007 0.0024 0.0072 219 ARG 31 CB -0.0014 0.0039 0.0058 220 ARG 31 CG -0.0012 0.0047 0.0048 221 ARG 31 CD -0.0011 0.0049 0.0045 222 ARG 31 NE -0.0008 0.0057 0.0034 223 ARG 31 CZ 0.0001 0.0058 0.0030 224 ARG 31 NH1 0.0010 0.0053 0.0033 225 ARG 31 NH2 0.0001 0.0065 0.0022 226 MET 32 N -0.0025 0.0026 0.0076 227 MET 32 CA -0.0024 0.0018 0.0085 228 MET 32 C -0.0024 0.0016 0.0088 229 MET 32 O -0.0017 0.0009 0.0093 230 MET 32 CB -0.0034 0.0017 0.0090 231 MET 32 CG -0.0036 0.0009 0.0100 232 MET 32 SD -0.0049 0.0008 0.0105 233 MET 32 CE -0.0057 0.0012 0.0103 234 PHE 33 N -0.0029 0.0019 0.0086 235 PHE 33 CA -0.0028 0.0017 0.0088 236 PHE 33 C -0.0020 0.0016 0.0087 237 PHE 33 O -0.0015 0.0011 0.0091 238 PHE 33 CB -0.0038 0.0022 0.0086 239 PHE 33 CG -0.0049 0.0021 0.0089 240 PHE 33 CD1 -0.0053 0.0016 0.0097 241 PHE 33 CD2 -0.0057 0.0029 0.0083 242 PHE 33 CE1 -0.0065 0.0016 0.0100 243 PHE 33 CE2 -0.0068 0.0028 0.0087 244 PHE 33 CZ -0.0071 0.0024 0.0094 245 LEU 34 N -0.0027 0.0025 0.0047 246 LEU 34 CA -0.0017 0.0027 0.0048 247 LEU 34 C -0.0014 0.0024 0.0049 248 LEU 34 O -0.0006 0.0021 0.0051 249 LEU 34 CB -0.0014 0.0036 0.0046 250 LEU 34 CG -0.0013 0.0040 0.0045 251 LEU 34 CD1 -0.0012 0.0050 0.0042 252 LEU 34 CD2 -0.0011 0.0035 0.0046 253 SER 35 N -0.0020 0.0025 0.0048 254 SER 35 CA -0.0016 0.0024 0.0049 255 SER 35 C -0.0017 0.0014 0.0051 256 SER 35 O -0.0013 0.0010 0.0053 257 SER 35 CB -0.0022 0.0029 0.0047 258 SER 35 OG -0.0018 0.0038 0.0045 259 PHE 36 N -0.0025 0.0010 0.0051 260 PHE 36 CA -0.0028 0.0001 0.0054 261 PHE 36 C -0.0029 -0.0004 0.0055 262 PHE 36 O -0.0038 -0.0006 0.0054 263 PHE 36 CB -0.0036 0.0001 0.0052 264 PHE 36 CG -0.0037 0.0007 0.0051 265 PHE 36 CD1 -0.0040 0.0015 0.0048 266 PHE 36 CD2 -0.0030 0.0004 0.0053 267 PHE 36 CE1 -0.0039 0.0020 0.0046 268 PHE 36 CE2 -0.0030 0.0009 0.0051 269 PHE 36 CZ -0.0033 0.0017 0.0048 270 PRO 37 N -0.0035 0.0011 0.0067 271 PRO 37 CA -0.0023 0.0002 0.0064 272 PRO 37 C -0.0023 -0.0006 0.0054 273 PRO 37 O -0.0015 -0.0011 0.0052 274 PRO 37 CB -0.0014 0.0002 0.0069 275 PRO 37 CG -0.0021 0.0007 0.0072 276 PRO 37 CD -0.0034 0.0014 0.0071 277 THR 38 N -0.0033 -0.0007 0.0046 278 THR 38 CA -0.0032 -0.0016 0.0035 279 THR 38 C -0.0034 -0.0016 0.0034 280 THR 38 O -0.0032 -0.0023 0.0027 281 THR 38 CB -0.0043 -0.0016 0.0028 282 THR 38 OG1 -0.0054 -0.0009 0.0030 283 THR 38 CG2 -0.0039 -0.0017 0.0029 284 THR 39 N -0.0039 -0.0008 0.0040 285 THR 39 CA -0.0040 -0.0009 0.0038 286 THR 39 C -0.0028 -0.0013 0.0041 287 THR 39 O -0.0028 -0.0015 0.0038 288 THR 39 CB -0.0048 -0.0000 0.0044 289 THR 39 OG1 -0.0043 0.0007 0.0056 290 THR 39 CG2 -0.0060 0.0005 0.0042 291 LYS 40 N -0.0036 0.0015 0.0045 292 LYS 40 CA -0.0021 0.0007 0.0050 293 LYS 40 C -0.0011 -0.0002 0.0035 294 LYS 40 O 0.0001 -0.0009 0.0035 295 LYS 40 CB -0.0013 0.0006 0.0063 296 LYS 40 CG -0.0019 0.0013 0.0080 297 LYS 40 CD -0.0011 0.0012 0.0093 298 LYS 40 CE -0.0016 0.0015 0.0092 299 LYS 40 NZ -0.0009 0.0015 0.0106 300 THR 41 N -0.0019 -0.0001 0.0021 301 THR 41 CA -0.0012 -0.0009 0.0006 302 THR 41 C -0.0007 -0.0013 0.0001 303 THR 41 O 0.0001 -0.0020 -0.0012 304 THR 41 CB -0.0023 -0.0006 -0.0007 305 THR 41 OG1 -0.0035 -0.0000 -0.0012 306 THR 41 CG2 -0.0024 -0.0004 -0.0002 307 TYR 42 N -0.0013 -0.0008 0.0004 308 TYR 42 CA -0.0010 -0.0013 -0.0005 309 TYR 42 C 0.0005 -0.0018 0.0008 310 TYR 42 O 0.0009 -0.0021 0.0003 311 TYR 42 CB -0.0022 -0.0005 -0.0003 312 TYR 42 CG -0.0034 -0.0002 -0.0018 313 TYR 42 CD1 -0.0034 -0.0006 -0.0035 314 TYR 42 CD2 -0.0046 0.0006 -0.0013 315 TYR 42 CE1 -0.0045 -0.0003 -0.0045 316 TYR 42 CE2 -0.0057 0.0009 -0.0026 317 TYR 42 CZ -0.0056 0.0005 -0.0042 318 TYR 42 OH -0.0067 0.0008 -0.0053 319 PHE 43 N -0.0053 0.0007 0.0043 320 PHE 43 CA -0.0044 0.0022 0.0049 321 PHE 43 C -0.0032 0.0029 0.0035 322 PHE 43 O -0.0026 0.0036 0.0036 323 PHE 43 CB -0.0048 0.0022 0.0058 324 PHE 43 CG -0.0059 0.0018 0.0074 325 PHE 43 CD1 -0.0071 0.0002 0.0072 326 PHE 43 CD2 -0.0061 0.0024 0.0089 327 PHE 43 CE1 -0.0080 -0.0002 0.0086 328 PHE 43 CE2 -0.0072 0.0020 0.0104 329 PHE 43 CZ -0.0081 0.0006 0.0100 330 PRO 44 N -0.0028 0.0027 0.0024 331 PRO 44 CA -0.0017 0.0033 0.0011 332 PRO 44 C -0.0006 0.0052 0.0018 333 PRO 44 O 0.0003 0.0059 0.0011 334 PRO 44 CB -0.0016 0.0029 0.0002 335 PRO 44 CG -0.0022 0.0027 0.0012 336 PRO 44 CD -0.0033 0.0021 0.0025 337 HIS 45 N -0.0009 0.0055 0.0031 338 HIS 45 CA -0.0001 0.0071 0.0040 339 HIS 45 C 0.0000 0.0079 0.0050 340 HIS 45 O 0.0006 0.0090 0.0058 341 HIS 45 CB -0.0004 0.0073 0.0050 342 HIS 45 CG -0.0016 0.0066 0.0063 343 HIS 45 ND1 -0.0026 0.0051 0.0059 344 HIS 45 CD2 -0.0020 0.0071 0.0079 345 HIS 45 CE1 -0.0035 0.0047 0.0073 346 HIS 45 NE2 -0.0031 0.0061 0.0086 347 PHE 46 N -0.0063 -0.0010 0.0101 348 PHE 46 CA -0.0064 -0.0011 0.0114 349 PHE 46 C -0.0064 -0.0012 0.0122 350 PHE 46 O -0.0071 -0.0009 0.0120 351 PHE 46 CB -0.0077 -0.0007 0.0117 352 PHE 46 CG -0.0074 -0.0008 0.0115 353 PHE 46 CD1 -0.0082 -0.0006 0.0121 354 PHE 46 CD2 -0.0066 -0.0010 0.0109 355 PHE 46 CE1 -0.0081 -0.0006 0.0119 356 PHE 46 CE2 -0.0063 -0.0010 0.0107 357 PHE 46 CZ -0.0070 -0.0009 0.0111 358 ASP 47 N -0.0060 -0.0015 0.0135 359 ASP 47 CA -0.0064 -0.0015 0.0145 360 ASP 47 C -0.0079 -0.0011 0.0152 361 ASP 47 O -0.0078 -0.0012 0.0156 362 ASP 47 CB -0.0054 -0.0019 0.0157 363 ASP 47 CG -0.0059 -0.0019 0.0168 364 ASP 47 OD1 -0.0067 -0.0016 0.0169 365 ASP 47 OD2 -0.0052 -0.0022 0.0177 366 LEU 48 N -0.0087 -0.0008 0.0149 367 LEU 48 CA -0.0099 -0.0005 0.0153 368 LEU 48 C -0.0106 -0.0004 0.0165 369 LEU 48 O -0.0115 -0.0002 0.0169 370 LEU 48 CB -0.0109 0.0000 0.0141 371 LEU 48 CG -0.0107 0.0001 0.0130 372 LEU 48 CD1 -0.0116 0.0005 0.0118 373 LEU 48 CD2 -0.0106 0.0000 0.0129 374 SER 49 N -0.0115 -0.0002 0.0250 375 SER 49 CA -0.0110 0.0001 0.0236 376 SER 49 C -0.0106 0.0003 0.0227 377 SER 49 O -0.0112 0.0004 0.0226 378 SER 49 CB -0.0119 0.0002 0.0236 379 SER 49 OG -0.0129 0.0005 0.0231 380 HIS 50 N -0.0093 0.0004 0.0215 381 HIS 50 CA -0.0092 0.0006 0.0209 382 HIS 50 C -0.0103 0.0011 0.0198 383 HIS 50 O -0.0111 0.0014 0.0191 384 HIS 50 CB -0.0079 0.0009 0.0193 385 HIS 50 CG -0.0077 0.0011 0.0183 386 HIS 50 ND1 -0.0066 0.0009 0.0183 387 HIS 50 CD2 -0.0072 0.0015 0.0167 388 HIS 50 CE1 -0.0066 0.0013 0.0170 389 HIS 50 NE2 -0.0072 0.0017 0.0161 390 GLY 51 N -0.0107 0.0012 0.0195 391 GLY 51 CA -0.0117 0.0016 0.0188 392 GLY 51 C -0.0133 0.0017 0.0195 393 GLY 51 O -0.0143 0.0020 0.0188 394 SER 52 N -0.0126 0.0028 0.0252 395 SER 52 CA -0.0108 0.0014 0.0236 396 SER 52 C -0.0112 0.0016 0.0232 397 SER 52 O -0.0127 0.0021 0.0225 398 SER 52 CB -0.0106 0.0009 0.0218 399 SER 52 OG -0.0119 0.0010 0.0199 400 ALA 53 N -0.0093 0.0005 0.0230 401 ALA 53 CA -0.0096 0.0005 0.0224 402 ALA 53 C -0.0104 0.0003 0.0198 403 ALA 53 O -0.0115 0.0007 0.0193 404 ALA 53 CB -0.0071 -0.0008 0.0221 405 GLN 54 N -0.0104 -0.0002 0.0183 406 GLN 54 CA -0.0112 -0.0004 0.0159 407 GLN 54 C -0.0138 0.0010 0.0160 408 GLN 54 O -0.0146 0.0010 0.0145 409 GLN 54 CB -0.0106 -0.0010 0.0146 410 GLN 54 CG -0.0084 -0.0023 0.0138 411 GLN 54 CD -0.0076 -0.0029 0.0131 412 GLN 54 OE1 -0.0071 -0.0028 0.0144 413 GLN 54 NE2 -0.0062 -0.0041 0.0114 414 VAL 55 N -0.0148 0.0007 0.0156 415 VAL 55 CA -0.0150 0.0015 0.0155 416 VAL 55 C -0.0158 0.0027 0.0150 417 VAL 55 O -0.0167 0.0030 0.0146 418 VAL 55 CB -0.0135 0.0019 0.0161 419 VAL 55 CG1 -0.0135 0.0029 0.0160 420 VAL 55 CG2 -0.0129 0.0006 0.0165 421 LYS 56 N -0.0156 0.0036 0.0150 422 LYS 56 CA -0.0165 0.0046 0.0145 423 LYS 56 C -0.0178 0.0043 0.0140 424 LYS 56 O -0.0188 0.0049 0.0134 425 LYS 56 CB -0.0161 0.0057 0.0146 426 LYS 56 CG -0.0147 0.0062 0.0151 427 LYS 56 CD -0.0148 0.0076 0.0150 428 LYS 56 CE -0.0131 0.0084 0.0156 429 LYS 56 NZ -0.0133 0.0094 0.0154 430 GLY 57 N -0.0182 0.0031 0.0139 431 GLY 57 CA -0.0195 0.0025 0.0134 432 GLY 57 C -0.0202 0.0019 0.0132 433 GLY 57 O -0.0213 0.0024 0.0126 434 HIS 58 N -0.0210 0.0010 0.0149 435 HIS 58 CA -0.0193 0.0012 0.0165 436 HIS 58 C -0.0167 0.0015 0.0150 437 HIS 58 O -0.0161 0.0016 0.0154 438 HIS 58 CB -0.0191 0.0012 0.0186 439 HIS 58 CG -0.0177 0.0013 0.0206 440 HIS 58 ND1 -0.0184 0.0012 0.0214 441 HIS 58 CD2 -0.0157 0.0015 0.0216 442 HIS 58 CE1 -0.0165 0.0014 0.0226 443 HIS 58 NE2 -0.0151 0.0015 0.0229 444 GLY 59 N -0.0163 0.0016 0.0139 445 GLY 59 CA -0.0141 0.0019 0.0124 446 GLY 59 C -0.0141 0.0019 0.0109 447 GLY 59 O -0.0127 0.0021 0.0106 448 LYS 60 N -0.0163 0.0017 0.0098 449 LYS 60 CA -0.0166 0.0017 0.0084 450 LYS 60 C -0.0165 0.0017 0.0093 451 LYS 60 O -0.0157 0.0018 0.0089 452 LYS 60 CB -0.0190 0.0015 0.0068 453 LYS 60 CG -0.0196 0.0014 0.0054 454 LYS 60 CD -0.0216 0.0012 0.0041 455 LYS 60 CE -0.0221 0.0012 0.0024 456 LYS 60 NZ -0.0256 0.0008 0.0012 457 LYS 61 N -0.0212 -0.0007 0.0115 458 LYS 61 CA -0.0200 0.0000 0.0146 459 LYS 61 C -0.0151 0.0002 0.0170 460 LYS 61 O -0.0135 0.0002 0.0171 461 LYS 61 CB -0.0227 0.0012 0.0189 462 LYS 61 CG -0.0278 0.0014 0.0183 463 LYS 61 CD -0.0307 0.0025 0.0219 464 LYS 61 CE -0.0333 0.0027 0.0217 465 LYS 61 NZ -0.0373 0.0038 0.0254 466 VAL 62 N -0.0142 0.0001 0.0166 467 VAL 62 CA -0.0093 0.0001 0.0183 468 VAL 62 C -0.0056 -0.0010 0.0147 469 VAL 62 O -0.0033 -0.0008 0.0162 470 VAL 62 CB -0.0087 0.0002 0.0187 471 VAL 62 CG1 -0.0041 0.0002 0.0201 472 VAL 62 CG2 -0.0109 0.0014 0.0229 473 ALA 63 N -0.0076 -0.0017 0.0112 474 ALA 63 CA -0.0045 -0.0027 0.0078 475 ALA 63 C -0.0049 -0.0029 0.0068 476 ALA 63 O -0.0015 -0.0032 0.0067 477 ALA 63 CB -0.0058 -0.0036 0.0038 478 ASP 64 N -0.0048 -0.0049 0.0046 479 ASP 64 CA -0.0052 -0.0049 0.0048 480 ASP 64 C -0.0043 -0.0052 0.0075 481 ASP 64 O -0.0033 -0.0053 0.0071 482 ASP 64 CB -0.0088 -0.0044 0.0053 483 ASP 64 CG -0.0110 -0.0038 0.0014 484 ASP 64 OD1 -0.0083 -0.0041 -0.0006 485 ASP 64 OD2 -0.0136 -0.0034 0.0024 486 ALA 65 N -0.0043 -0.0054 0.0103 487 ALA 65 CA -0.0024 -0.0058 0.0125 488 ALA 65 C 0.0012 -0.0063 0.0120 489 ALA 65 O 0.0018 -0.0065 0.0130 490 ALA 65 CB -0.0027 -0.0059 0.0156 491 LEU 66 N 0.0022 -0.0064 0.0103 492 LEU 66 CA 0.0054 -0.0069 0.0097 493 LEU 66 C 0.0055 -0.0067 0.0074 494 LEU 66 O 0.0075 -0.0071 0.0077 495 LEU 66 CB 0.0068 -0.0070 0.0085 496 LEU 66 CG 0.0078 -0.0073 0.0108 497 LEU 66 CD1 0.0086 -0.0073 0.0092 498 LEU 66 CD2 0.0096 -0.0077 0.0134 499 THR 67 N 0.0069 -0.0099 0.0045 500 THR 67 CA 0.0065 -0.0095 0.0046 501 THR 67 C 0.0059 -0.0096 0.0048 502 THR 67 O 0.0055 -0.0096 0.0049 503 THR 67 CB 0.0067 -0.0089 0.0046 504 THR 67 OG1 0.0071 -0.0087 0.0045 505 THR 67 CG2 0.0062 -0.0086 0.0048 506 ASN 68 N 0.0059 -0.0100 0.0047 507 ASN 68 CA 0.0054 -0.0102 0.0049 508 ASN 68 C 0.0051 -0.0106 0.0049 509 ASN 68 O 0.0046 -0.0106 0.0050 510 ASN 68 CB 0.0054 -0.0105 0.0048 511 ASN 68 CG 0.0049 -0.0108 0.0049 512 ASN 68 OD1 0.0045 -0.0106 0.0051 513 ASN 68 ND2 0.0049 -0.0112 0.0049 514 ALA 69 N 0.0055 -0.0110 0.0047 515 ALA 69 CA 0.0052 -0.0114 0.0048 516 ALA 69 C 0.0050 -0.0111 0.0048 517 ALA 69 O 0.0047 -0.0113 0.0049 518 ALA 69 CB 0.0057 -0.0117 0.0046 519 VAL 70 N 0.0090 -0.0126 0.0059 520 VAL 70 CA 0.0076 -0.0113 0.0067 521 VAL 70 C 0.0063 -0.0106 0.0071 522 VAL 70 O 0.0047 -0.0105 0.0072 523 VAL 70 CB 0.0088 -0.0102 0.0075 524 VAL 70 CG1 0.0080 -0.0087 0.0085 525 VAL 70 CG2 0.0099 -0.0107 0.0072 526 ALA 71 N 0.0069 -0.0106 0.0072 527 ALA 71 CA 0.0056 -0.0101 0.0075 528 ALA 71 C 0.0045 -0.0111 0.0068 529 ALA 71 O 0.0028 -0.0105 0.0071 530 ALA 71 CB 0.0069 -0.0099 0.0076 531 HIS 72 N 0.0045 -0.0126 0.0058 532 HIS 72 CA 0.0032 -0.0136 0.0050 533 HIS 72 C 0.0026 -0.0145 0.0044 534 HIS 72 O 0.0025 -0.0160 0.0034 535 HIS 72 CB 0.0039 -0.0151 0.0041 536 HIS 72 CG 0.0045 -0.0139 0.0048 537 HIS 72 ND1 0.0034 -0.0137 0.0049 538 HIS 72 CD2 0.0059 -0.0135 0.0052 539 HIS 72 CE1 0.0038 -0.0123 0.0059 540 HIS 72 NE2 0.0057 -0.0125 0.0059 541 VAL 73 N 0.0038 -0.0149 0.0053 542 VAL 73 CA 0.0032 -0.0169 0.0040 543 VAL 73 C 0.0013 -0.0186 0.0033 544 VAL 73 O 0.0007 -0.0208 0.0019 545 VAL 73 CB 0.0031 -0.0158 0.0048 546 VAL 73 CG1 0.0011 -0.0143 0.0067 547 VAL 73 CG2 0.0044 -0.0168 0.0036 548 ASP 74 N -0.0010 -0.0179 0.0047 549 ASP 74 CA -0.0038 -0.0198 0.0043 550 ASP 74 C -0.0025 -0.0211 0.0028 551 ASP 74 O -0.0049 -0.0228 0.0024 552 ASP 74 CB -0.0060 -0.0185 0.0061 553 ASP 74 CG -0.0074 -0.0173 0.0075 554 ASP 74 OD1 -0.0077 -0.0179 0.0072 555 ASP 74 OD2 -0.0071 -0.0144 0.0096 556 ASP 75 N -0.0010 -0.0209 0.0024 557 ASP 75 CA -0.0002 -0.0226 0.0008 558 ASP 75 C 0.0033 -0.0221 -0.0000 559 ASP 75 O 0.0047 -0.0219 -0.0004 560 ASP 75 CB 0.0001 -0.0202 0.0026 561 ASP 75 CG -0.0008 -0.0212 0.0021 562 ASP 75 OD1 -0.0024 -0.0235 0.0010 563 ASP 75 OD2 0.0011 -0.0201 0.0023 564 MET 76 N 0.0037 -0.0197 -0.0033 565 MET 76 CA 0.0045 -0.0194 -0.0039 566 MET 76 C 0.0048 -0.0193 -0.0048 567 MET 76 O 0.0056 -0.0189 -0.0050 568 MET 76 CB 0.0039 -0.0199 -0.0044 569 MET 76 CG 0.0040 -0.0197 -0.0040 570 MET 76 SD 0.0037 -0.0200 -0.0045 571 MET 76 CE 0.0029 -0.0206 -0.0044 572 PRO 77 N 0.0044 -0.0197 -0.0050 573 PRO 77 CA 0.0048 -0.0195 -0.0055 574 PRO 77 C 0.0055 -0.0190 -0.0053 575 PRO 77 O 0.0062 -0.0187 -0.0059 576 PRO 77 CB 0.0042 -0.0200 -0.0059 577 PRO 77 CG 0.0035 -0.0204 -0.0057 578 PRO 77 CD 0.0036 -0.0202 -0.0050 579 ASN 78 N 0.0055 -0.0188 -0.0045 580 ASN 78 CA 0.0061 -0.0183 -0.0041 581 ASN 78 C 0.0066 -0.0179 -0.0039 582 ASN 78 O 0.0074 -0.0174 -0.0042 583 ASN 78 CB 0.0060 -0.0182 -0.0032 584 ASN 78 CG 0.0058 -0.0183 -0.0033 585 ASN 78 OD1 0.0047 -0.0191 -0.0033 586 ASN 78 ND2 0.0060 -0.0183 -0.0038 587 ALA 79 N 0.0052 -0.0176 -0.0035 588 ALA 79 CA 0.0040 -0.0178 -0.0051 589 ALA 79 C 0.0020 -0.0160 -0.0067 590 ALA 79 O 0.0011 -0.0150 -0.0073 591 ALA 79 CB 0.0040 -0.0202 -0.0060 592 LEU 80 N 0.0017 -0.0161 -0.0071 593 LEU 80 CA -0.0001 -0.0148 -0.0087 594 LEU 80 C -0.0001 -0.0122 -0.0076 595 LEU 80 O -0.0013 -0.0111 -0.0086 596 LEU 80 CB -0.0007 -0.0163 -0.0100 597 LEU 80 CG -0.0008 -0.0188 -0.0112 598 LEU 80 CD1 -0.0013 -0.0201 -0.0122 599 LEU 80 CD2 -0.0023 -0.0180 -0.0126 600 SER 81 N 0.0013 -0.0112 -0.0056 601 SER 81 CA 0.0012 -0.0091 -0.0048 602 SER 81 C -0.0002 -0.0070 -0.0056 603 SER 81 O -0.0010 -0.0055 -0.0060 604 SER 81 CB 0.0031 -0.0084 -0.0024 605 SER 81 OG 0.0032 -0.0068 -0.0016 606 ALA 82 N -0.0099 -0.0006 -0.0080 607 ALA 82 CA -0.0126 0.0017 -0.0090 608 ALA 82 C -0.0131 0.0014 -0.0107 609 ALA 82 O -0.0148 0.0031 -0.0108 610 ALA 82 CB -0.0144 0.0026 -0.0109 611 LEU 83 N -0.0123 -0.0010 -0.0135 612 LEU 83 CA -0.0133 -0.0012 -0.0157 613 LEU 83 C -0.0117 -0.0022 -0.0143 614 LEU 83 O -0.0128 -0.0013 -0.0150 615 LEU 83 CB -0.0121 -0.0040 -0.0186 616 LEU 83 CG -0.0134 -0.0042 -0.0216 617 LEU 83 CD1 -0.0162 -0.0015 -0.0222 618 LEU 83 CD2 -0.0130 -0.0061 -0.0243 619 SER 84 N -0.0094 -0.0033 -0.0119 620 SER 84 CA -0.0085 -0.0033 -0.0102 621 SER 84 C -0.0099 -0.0006 -0.0078 622 SER 84 O -0.0100 -0.0004 -0.0077 623 SER 84 CB -0.0052 -0.0053 -0.0071 624 SER 84 OG -0.0048 -0.0056 -0.0070 625 ASP 85 N -0.0142 0.0043 -0.0061 626 ASP 85 CA -0.0171 0.0071 -0.0023 627 ASP 85 C -0.0202 0.0086 -0.0046 628 ASP 85 O -0.0207 0.0092 -0.0032 629 ASP 85 CB -0.0196 0.0089 -0.0012 630 ASP 85 CG -0.0164 0.0077 0.0024 631 ASP 85 OD1 -0.0151 0.0073 0.0046 632 ASP 85 OD2 -0.0185 0.0092 0.0033 633 LEU 86 N -0.0217 0.0084 -0.0095 634 LEU 86 CA -0.0245 0.0097 -0.0120 635 LEU 86 C -0.0230 0.0086 -0.0125 636 LEU 86 O -0.0249 0.0099 -0.0123 637 LEU 86 CB -0.0259 0.0095 -0.0170 638 LEU 86 CG -0.0283 0.0105 -0.0196 639 LEU 86 CD1 -0.0327 0.0136 -0.0186 640 LEU 86 CD2 -0.0297 0.0101 -0.0254 641 HIS 87 N -0.0189 0.0057 -0.0138 642 HIS 87 CA -0.0177 0.0046 -0.0151 643 HIS 87 C -0.0162 0.0048 -0.0097 644 HIS 87 O -0.0168 0.0052 -0.0099 645 HIS 87 CB -0.0135 0.0014 -0.0173 646 HIS 87 CG -0.0151 0.0012 -0.0228 647 HIS 87 ND1 -0.0159 0.0015 -0.0243 648 HIS 87 CD2 -0.0155 0.0006 -0.0268 649 HIS 87 CE1 -0.0173 0.0013 -0.0289 650 HIS 87 NE2 -0.0167 0.0006 -0.0307 651 ALA 88 N -0.0135 0.0056 -0.0098 652 ALA 88 CA -0.0121 0.0038 -0.0039 653 ALA 88 C -0.0166 0.0057 -0.0011 654 ALA 88 O -0.0151 0.0043 0.0019 655 ALA 88 CB -0.0104 0.0023 -0.0004 656 HIS 89 N -0.0208 0.0080 -0.0017 657 HIS 89 CA -0.0248 0.0096 0.0014 658 HIS 89 C -0.0279 0.0115 -0.0005 659 HIS 89 O -0.0301 0.0122 0.0019 660 HIS 89 CB -0.0281 0.0108 0.0041 661 HIS 89 CG -0.0258 0.0089 0.0077 662 HIS 89 ND1 -0.0224 0.0064 0.0116 663 HIS 89 CD2 -0.0252 0.0086 0.0077 664 HIS 89 CE1 -0.0192 0.0043 0.0139 665 HIS 89 NE2 -0.0221 0.0063 0.0114 666 LYS 90 N -0.0281 0.0126 -0.0058 667 LYS 90 CA -0.0300 0.0142 -0.0090 668 LYS 90 C -0.0279 0.0138 -0.0127 669 LYS 90 O -0.0273 0.0133 -0.0117 670 LYS 90 CB -0.0342 0.0171 -0.0125 671 LYS 90 CG -0.0385 0.0185 -0.0078 672 LYS 90 CD -0.0410 0.0192 -0.0044 673 LYS 90 CE -0.0462 0.0219 -0.0041 674 LYS 90 NZ -0.0471 0.0208 0.0042 675 LEU 91 N -0.0177 0.0062 -0.0122 676 LEU 91 CA -0.0163 0.0061 -0.0140 677 LEU 91 C -0.0141 0.0048 -0.0129 678 LEU 91 O -0.0136 0.0047 -0.0133 679 LEU 91 CB -0.0152 0.0065 -0.0166 680 LEU 91 CG -0.0172 0.0078 -0.0181 681 LEU 91 CD1 -0.0165 0.0081 -0.0199 682 LEU 91 CD2 -0.0187 0.0087 -0.0187 683 ARG 92 N -0.0130 0.0039 -0.0117 684 ARG 92 CA -0.0110 0.0024 -0.0100 685 ARG 92 C -0.0091 0.0020 -0.0114 686 ARG 92 O -0.0080 0.0014 -0.0109 687 ARG 92 CB -0.0124 0.0023 -0.0076 688 ARG 92 CG -0.0137 0.0023 -0.0059 689 ARG 92 CD -0.0170 0.0035 -0.0048 690 ARG 92 NE -0.0155 0.0024 -0.0034 691 ARG 92 CZ -0.0193 0.0035 -0.0018 692 ARG 92 NH1 -0.0199 0.0046 -0.0042 693 ARG 92 NH2 -0.0188 0.0029 -0.0003 694 VAL 93 N -0.0080 0.0022 -0.0135 695 VAL 93 CA -0.0060 0.0019 -0.0152 696 VAL 93 C -0.0039 0.0006 -0.0142 697 VAL 93 O -0.0032 0.0000 -0.0133 698 VAL 93 CB -0.0059 0.0026 -0.0177 699 VAL 93 CG1 -0.0036 0.0021 -0.0193 700 VAL 93 CG2 -0.0082 0.0041 -0.0190 701 ASP 94 N -0.0025 -0.0034 -0.0107 702 ASP 94 CA -0.0023 -0.0026 -0.0108 703 ASP 94 C -0.0021 -0.0025 -0.0111 704 ASP 94 O -0.0023 -0.0028 -0.0109 705 ASP 94 CB -0.0027 -0.0023 -0.0101 706 ASP 94 CG -0.0025 -0.0014 -0.0102 707 ASP 94 OD1 -0.0025 -0.0011 -0.0102 708 ASP 94 OD2 -0.0024 -0.0011 -0.0103 709 PRO 95 N -0.0018 -0.0020 -0.0114 710 PRO 95 CA -0.0016 -0.0019 -0.0118 711 PRO 95 C -0.0018 -0.0017 -0.0114 712 PRO 95 O -0.0017 -0.0018 -0.0116 713 PRO 95 CB -0.0013 -0.0012 -0.0122 714 PRO 95 CG -0.0011 -0.0013 -0.0124 715 PRO 95 CD -0.0015 -0.0016 -0.0118 716 VAL 96 N -0.0021 -0.0014 -0.0108 717 VAL 96 CA -0.0023 -0.0012 -0.0104 718 VAL 96 C -0.0025 -0.0017 -0.0103 719 VAL 96 O -0.0026 -0.0018 -0.0102 720 VAL 96 CB -0.0027 -0.0007 -0.0098 721 VAL 96 CG1 -0.0030 -0.0010 -0.0094 722 VAL 96 CG2 -0.0027 -0.0004 -0.0096 723 ASN 97 N -0.0047 -0.0009 -0.0084 724 ASN 97 CA -0.0049 -0.0031 -0.0063 725 ASN 97 C -0.0039 -0.0042 -0.0072 726 ASN 97 O -0.0045 -0.0051 -0.0053 727 ASN 97 CB -0.0039 -0.0058 -0.0059 728 ASN 97 CG -0.0048 -0.0050 -0.0048 729 ASN 97 OD1 -0.0059 -0.0050 -0.0025 730 ASN 97 ND2 -0.0040 -0.0043 -0.0069 731 PHE 98 N -0.0031 -0.0033 -0.0096 732 PHE 98 CA -0.0023 -0.0039 -0.0105 733 PHE 98 C -0.0038 -0.0023 -0.0091 734 PHE 98 O -0.0037 -0.0035 -0.0082 735 PHE 98 CB -0.0010 -0.0035 -0.0136 736 PHE 98 CG 0.0003 -0.0053 -0.0147 737 PHE 98 CD1 0.0015 -0.0075 -0.0152 738 PHE 98 CD2 0.0005 -0.0050 -0.0153 739 PHE 98 CE1 0.0028 -0.0092 -0.0163 740 PHE 98 CE2 0.0019 -0.0072 -0.0163 741 PHE 98 CZ 0.0029 -0.0090 -0.0167 742 LYS 99 N -0.0050 0.0002 -0.0086 743 LYS 99 CA -0.0065 0.0016 -0.0070 744 LYS 99 C -0.0074 0.0007 -0.0044 745 LYS 99 O -0.0078 0.0006 -0.0034 746 LYS 99 CB -0.0075 0.0048 -0.0077 747 LYS 99 CG -0.0069 0.0059 -0.0096 748 LYS 99 CD -0.0074 0.0079 -0.0103 749 LYS 99 CE -0.0085 0.0098 -0.0099 750 LYS 99 NZ -0.0083 0.0133 -0.0132 751 LEU 100 N -0.0040 -0.0009 0.0047 752 LEU 100 CA -0.0044 -0.0012 0.0046 753 LEU 100 C -0.0040 -0.0015 0.0051 754 LEU 100 O -0.0044 -0.0021 0.0053 755 LEU 100 CB -0.0047 -0.0006 0.0040 756 LEU 100 CG -0.0050 -0.0001 0.0035 757 LEU 100 CD1 -0.0052 0.0005 0.0029 758 LEU 100 CD2 -0.0058 -0.0006 0.0033 759 LEU 101 N -0.0033 -0.0012 0.0053 760 LEU 101 CA -0.0029 -0.0016 0.0059 761 LEU 101 C -0.0028 -0.0023 0.0064 762 LEU 101 O -0.0029 -0.0029 0.0068 763 LEU 101 CB -0.0021 -0.0011 0.0060 764 LEU 101 CG -0.0016 -0.0014 0.0065 765 LEU 101 CD1 -0.0019 -0.0017 0.0066 766 LEU 101 CD2 -0.0007 -0.0008 0.0066 767 SER 102 N -0.0027 -0.0023 0.0065 768 SER 102 CA -0.0027 -0.0030 0.0070 769 SER 102 C -0.0035 -0.0036 0.0070 770 SER 102 O -0.0035 -0.0043 0.0075 771 SER 102 CB -0.0026 -0.0028 0.0069 772 SER 102 OG -0.0018 -0.0023 0.0070 773 HIS 103 N -0.0013 0.0013 0.0051 774 HIS 103 CA -0.0017 0.0010 0.0051 775 HIS 103 C -0.0015 0.0010 0.0056 776 HIS 103 O -0.0017 0.0008 0.0060 777 HIS 103 CB -0.0021 0.0010 0.0045 778 HIS 103 CG -0.0025 0.0007 0.0044 779 HIS 103 ND1 -0.0024 0.0009 0.0041 780 HIS 103 CD2 -0.0030 0.0003 0.0048 781 HIS 103 CE1 -0.0029 0.0005 0.0043 782 HIS 103 NE2 -0.0033 0.0002 0.0047 783 CYS 104 N -0.0009 0.0014 0.0053 784 CYS 104 CA -0.0006 0.0015 0.0057 785 CYS 104 C -0.0003 0.0015 0.0064 786 CYS 104 O -0.0004 0.0014 0.0067 787 CYS 104 CB -0.0002 0.0019 0.0052 788 CYS 104 SG -0.0005 0.0019 0.0043 789 LEU 105 N -0.0002 0.0015 0.0066 790 LEU 105 CA 0.0000 0.0015 0.0073 791 LEU 105 C -0.0005 0.0010 0.0078 792 LEU 105 O -0.0005 0.0010 0.0083 793 LEU 105 CB 0.0004 0.0017 0.0073 794 LEU 105 CG 0.0010 0.0020 0.0074 795 LEU 105 CD1 0.0013 0.0022 0.0073 796 LEU 105 CD2 0.0014 0.0021 0.0078 797 LEU 106 N 0.0019 0.0017 0.0048 798 LEU 106 CA 0.0020 0.0014 0.0048 799 LEU 106 C 0.0023 0.0015 0.0042 800 LEU 106 O 0.0023 0.0017 0.0042 801 LEU 106 CB 0.0020 0.0006 0.0050 802 LEU 106 CG 0.0018 0.0001 0.0054 803 LEU 106 CD1 0.0019 -0.0006 0.0054 804 LEU 106 CD2 0.0014 0.0004 0.0059 805 VAL 107 N 0.0027 0.0015 0.0037 806 VAL 107 CA 0.0030 0.0017 0.0031 807 VAL 107 C 0.0029 0.0025 0.0030 808 VAL 107 O 0.0031 0.0027 0.0027 809 VAL 107 CB 0.0033 0.0016 0.0026 810 VAL 107 CG1 0.0037 0.0020 0.0020 811 VAL 107 CG2 0.0035 0.0008 0.0025 812 THR 108 N 0.0027 0.0030 0.0033 813 THR 108 CA 0.0026 0.0038 0.0033 814 THR 108 C 0.0024 0.0038 0.0036 815 THR 108 O 0.0025 0.0042 0.0034 816 THR 108 CB 0.0024 0.0042 0.0035 817 THR 108 OG1 0.0027 0.0042 0.0031 818 THR 108 CG2 0.0024 0.0050 0.0034 819 LEU 109 N 0.0041 0.0034 0.0032 820 LEU 109 CA 0.0041 0.0035 0.0030 821 LEU 109 C 0.0047 0.0035 0.0026 822 LEU 109 O 0.0047 0.0037 0.0022 823 LEU 109 CB 0.0040 0.0033 0.0035 824 LEU 109 CG 0.0033 0.0034 0.0039 825 LEU 109 CD1 0.0033 0.0032 0.0044 826 LEU 109 CD2 0.0029 0.0038 0.0037 827 ALA 110 N 0.0051 0.0032 0.0028 828 ALA 110 CA 0.0056 0.0031 0.0024 829 ALA 110 C 0.0057 0.0034 0.0019 830 ALA 110 O 0.0059 0.0035 0.0014 831 ALA 110 CB 0.0061 0.0027 0.0027 832 ALA 111 N 0.0055 0.0035 0.0018 833 ALA 111 CA 0.0055 0.0038 0.0013 834 ALA 111 C 0.0051 0.0042 0.0009 835 ALA 111 O 0.0052 0.0044 0.0005 836 ALA 111 CB 0.0053 0.0039 0.0014 837 HIS 112 N 0.0045 0.0027 0.0017 838 HIS 112 CA 0.0045 0.0022 0.0013 839 HIS 112 C 0.0058 0.0014 0.0014 840 HIS 112 O 0.0056 0.0008 0.0008 841 HIS 112 CB 0.0041 0.0032 0.0019 842 HIS 112 CG 0.0028 0.0038 0.0016 843 HIS 112 ND1 0.0022 0.0033 0.0008 844 HIS 112 CD2 0.0022 0.0048 0.0021 845 HIS 112 CE1 0.0009 0.0043 0.0009 846 HIS 112 NE2 0.0009 0.0052 0.0016 847 LEU 113 N 0.0067 0.0013 0.0019 848 LEU 113 CA 0.0079 0.0006 0.0019 849 LEU 113 C 0.0084 -0.0002 0.0016 850 LEU 113 O 0.0094 -0.0002 0.0022 851 LEU 113 CB 0.0088 0.0011 0.0029 852 LEU 113 CG 0.0086 0.0019 0.0035 853 LEU 113 CD1 0.0097 0.0024 0.0045 854 LEU 113 CD2 0.0081 0.0016 0.0028 855 PRO 114 N 0.0079 -0.0008 0.0008 856 PRO 114 CA 0.0083 -0.0016 0.0004 857 PRO 114 C 0.0097 -0.0024 0.0005 858 PRO 114 O 0.0104 -0.0023 0.0010 859 PRO 114 CB 0.0075 -0.0022 -0.0006 860 PRO 114 CG 0.0069 -0.0021 -0.0009 861 PRO 114 CD 0.0069 -0.0010 0.0001 862 ALA 115 N 0.0091 -0.0030 0.0040 863 ALA 115 CA 0.0094 -0.0035 0.0044 864 ALA 115 C 0.0099 -0.0030 0.0043 865 ALA 115 O 0.0100 -0.0031 0.0044 866 ALA 115 CB 0.0099 -0.0040 0.0048 867 GLU 116 N 0.0104 -0.0024 0.0042 868 GLU 116 CA 0.0111 -0.0019 0.0043 869 GLU 116 C 0.0108 -0.0012 0.0038 870 GLU 116 O 0.0112 -0.0008 0.0039 871 GLU 116 CB 0.0117 -0.0015 0.0043 872 GLU 116 CG 0.0122 -0.0020 0.0047 873 GLU 116 CD 0.0117 -0.0024 0.0047 874 GLU 116 OE1 0.0111 -0.0022 0.0044 875 GLU 116 OE2 0.0121 -0.0029 0.0051 876 PHE 117 N 0.0101 -0.0009 0.0035 877 PHE 117 CA 0.0097 -0.0003 0.0031 878 PHE 117 C 0.0093 -0.0005 0.0030 879 PHE 117 O 0.0086 -0.0003 0.0027 880 PHE 117 CB 0.0092 0.0001 0.0027 881 PHE 117 CG 0.0091 0.0010 0.0023 882 PHE 117 CD1 0.0098 0.0016 0.0023 883 PHE 117 CD2 0.0084 0.0011 0.0020 884 PHE 117 CE1 0.0096 0.0023 0.0019 885 PHE 117 CE2 0.0083 0.0019 0.0016 886 PHE 117 CZ 0.0089 0.0025 0.0016 887 THR 118 N 0.0082 0.0000 0.0038 888 THR 118 CA 0.0074 0.0004 0.0037 889 THR 118 C 0.0073 -0.0002 0.0029 890 THR 118 O 0.0075 -0.0008 0.0023 891 THR 118 CB 0.0066 0.0007 0.0037 892 THR 118 OG1 0.0062 0.0004 0.0031 893 THR 118 CG2 0.0066 0.0015 0.0046 894 PRO 119 N 0.0065 -0.0000 0.0027 895 PRO 119 CA 0.0062 -0.0006 0.0019 896 PRO 119 C 0.0058 -0.0010 0.0012 897 PRO 119 O 0.0060 -0.0017 0.0005 898 PRO 119 CB 0.0055 -0.0002 0.0019 899 PRO 119 CG 0.0058 0.0004 0.0028 900 PRO 119 CD 0.0063 0.0007 0.0034 901 ALA 120 N 0.0052 -0.0006 0.0013 902 ALA 120 CA 0.0047 -0.0008 0.0007 903 ALA 120 C 0.0055 -0.0014 0.0005 904 ALA 120 O 0.0055 -0.0020 -0.0002 905 ALA 120 CB 0.0038 -0.0003 0.0008 906 VAL 121 N 0.0052 -0.0029 0.0037 907 VAL 121 CA 0.0060 -0.0029 0.0036 908 VAL 121 C 0.0062 -0.0028 0.0029 909 VAL 121 O 0.0067 -0.0028 0.0026 910 VAL 121 CB 0.0063 -0.0029 0.0042 911 VAL 121 CG1 0.0072 -0.0028 0.0042 912 VAL 121 CG2 0.0062 -0.0029 0.0048 913 HIS 122 N 0.0060 -0.0029 0.0029 914 HIS 122 CA 0.0061 -0.0029 0.0022 915 HIS 122 C 0.0060 -0.0029 0.0016 916 HIS 122 O 0.0064 -0.0028 0.0012 917 HIS 122 CB 0.0057 -0.0029 0.0023 918 HIS 122 CG 0.0057 -0.0029 0.0017 919 HIS 122 ND1 0.0054 -0.0029 0.0018 920 HIS 122 CD2 0.0060 -0.0029 0.0012 921 HIS 122 CE1 0.0055 -0.0029 0.0012 922 HIS 122 NE2 0.0059 -0.0029 0.0008 923 ALA 123 N 0.0054 -0.0029 0.0016 924 ALA 123 CA 0.0052 -0.0029 0.0011 925 ALA 123 C 0.0057 -0.0029 0.0009 926 ALA 123 O 0.0060 -0.0028 0.0003 927 ALA 123 CB 0.0045 -0.0030 0.0011 928 SER 124 N 0.0038 -0.0055 0.0033 929 SER 124 CA 0.0040 -0.0054 0.0034 930 SER 124 C 0.0044 -0.0052 0.0032 931 SER 124 O 0.0045 -0.0052 0.0031 932 SER 124 CB 0.0040 -0.0053 0.0039 933 SER 124 OG 0.0036 -0.0055 0.0041 934 LEU 125 N 0.0046 -0.0051 0.0032 935 LEU 125 CA 0.0050 -0.0049 0.0030 936 LEU 125 C 0.0050 -0.0050 0.0026 937 LEU 125 O 0.0053 -0.0049 0.0024 938 LEU 125 CB 0.0052 -0.0048 0.0031 939 LEU 125 CG 0.0053 -0.0046 0.0036 940 LEU 125 CD1 0.0054 -0.0046 0.0036 941 LEU 125 CD2 0.0056 -0.0044 0.0037 942 ASP 126 N 0.0048 -0.0052 0.0023 943 ASP 126 CA 0.0048 -0.0053 0.0019 944 ASP 126 C 0.0048 -0.0054 0.0018 945 ASP 126 O 0.0049 -0.0053 0.0015 946 ASP 126 CB 0.0045 -0.0055 0.0017 947 ASP 126 CG 0.0046 -0.0056 0.0012 948 ASP 126 OD1 0.0049 -0.0055 0.0010 949 ASP 126 OD2 0.0044 -0.0058 0.0010 950 LYS 127 N 0.0007 -0.0090 0.0010 951 LYS 127 CA 0.0011 -0.0088 0.0005 952 LYS 127 C 0.0023 -0.0088 0.0005 953 LYS 127 O 0.0028 -0.0084 -0.0003 954 LYS 127 CB 0.0004 -0.0089 0.0007 955 LYS 127 CG 0.0006 -0.0088 0.0005 956 LYS 127 CD -0.0006 -0.0089 0.0007 957 LYS 127 CE -0.0000 -0.0087 0.0004 958 LYS 127 NZ -0.0005 -0.0088 0.0007 959 PHE 128 N 0.0027 -0.0092 0.0013 960 PHE 128 CA 0.0039 -0.0092 0.0014 961 PHE 128 C 0.0044 -0.0090 0.0008 962 PHE 128 O 0.0051 -0.0087 0.0003 963 PHE 128 CB 0.0042 -0.0097 0.0024 964 PHE 128 CG 0.0054 -0.0098 0.0025 965 PHE 128 CD1 0.0062 -0.0097 0.0024 966 PHE 128 CD2 0.0056 -0.0099 0.0028 967 PHE 128 CE1 0.0072 -0.0098 0.0025 968 PHE 128 CE2 0.0067 -0.0101 0.0032 969 PHE 128 CZ 0.0073 -0.0100 0.0030 970 LEU 129 N 0.0038 -0.0090 0.0008 971 LEU 129 CA 0.0043 -0.0087 0.0003 972 LEU 129 C 0.0041 -0.0082 -0.0007 973 LEU 129 O 0.0048 -0.0080 -0.0013 974 LEU 129 CB 0.0038 -0.0089 0.0006 975 LEU 129 CG 0.0040 -0.0094 0.0017 976 LEU 129 CD1 0.0034 -0.0095 0.0021 977 LEU 129 CD2 0.0054 -0.0094 0.0017 978 ALA 130 N 0.0032 -0.0118 -0.0035 979 ALA 130 CA 0.0030 -0.0120 -0.0041 980 ALA 130 C 0.0027 -0.0126 -0.0053 981 ALA 130 O 0.0028 -0.0134 -0.0058 982 ALA 130 CB 0.0026 -0.0109 -0.0042 983 SER 131 N 0.0023 -0.0123 -0.0058 984 SER 131 CA 0.0021 -0.0129 -0.0069 985 SER 131 C 0.0026 -0.0141 -0.0069 986 SER 131 O 0.0024 -0.0148 -0.0077 987 SER 131 CB 0.0016 -0.0122 -0.0074 988 SER 131 OG 0.0012 -0.0113 -0.0076 989 VAL 132 N 0.0029 -0.0141 -0.0061 990 VAL 132 CA 0.0033 -0.0153 -0.0061 991 VAL 132 C 0.0037 -0.0159 -0.0059 992 VAL 132 O 0.0038 -0.0170 -0.0065 993 VAL 132 CB 0.0037 -0.0153 -0.0053 994 VAL 132 CG1 0.0043 -0.0164 -0.0049 995 VAL 132 CG2 0.0035 -0.0148 -0.0054 996 SER 133 N 0.0044 -0.0133 -0.0100 997 SER 133 CA 0.0048 -0.0140 -0.0103 998 SER 133 C 0.0043 -0.0146 -0.0103 999 SER 133 O 0.0045 -0.0149 -0.0105 1000 SER 133 CB 0.0053 -0.0141 -0.0105 1001 SER 133 OG 0.0059 -0.0135 -0.0106 1002 THR 134 N 0.0037 -0.0148 -0.0102 1003 THR 134 CA 0.0033 -0.0155 -0.0102 1004 THR 134 C 0.0029 -0.0153 -0.0100 1005 THR 134 O 0.0028 -0.0158 -0.0101 1006 THR 134 CB 0.0028 -0.0155 -0.0100 1007 THR 134 OG1 0.0030 -0.0158 -0.0102 1008 THR 134 CG2 0.0021 -0.0161 -0.0099 1009 VAL 135 N 0.0026 -0.0147 -0.0097 1010 VAL 135 CA 0.0023 -0.0145 -0.0096 1011 VAL 135 C 0.0029 -0.0144 -0.0098 1012 VAL 135 O 0.0027 -0.0148 -0.0098 1013 VAL 135 CB 0.0019 -0.0137 -0.0092 1014 VAL 135 CG1 0.0018 -0.0134 -0.0091 1015 VAL 135 CG2 0.0013 -0.0137 -0.0090 1016 LEU 136 N 0.0011 -0.0117 -0.0121 1017 LEU 136 CA -0.0010 -0.0100 -0.0123 1018 LEU 136 C -0.0013 -0.0089 -0.0106 1019 LEU 136 O -0.0031 -0.0072 -0.0103 1020 LEU 136 CB -0.0022 -0.0104 -0.0149 1021 LEU 136 CG -0.0031 -0.0105 -0.0166 1022 LEU 136 CD1 -0.0038 -0.0112 -0.0190 1023 LEU 136 CD2 -0.0035 -0.0096 -0.0155 1024 THR 137 N 0.0002 -0.0099 -0.0100 1025 THR 137 CA 0.0001 -0.0090 -0.0085 1026 THR 137 C 0.0013 -0.0088 -0.0062 1027 THR 137 O 0.0014 -0.0081 -0.0046 1028 THR 137 CB 0.0018 -0.0110 -0.0096 1029 THR 137 OG1 -0.0005 -0.0101 -0.0116 1030 THR 137 CG2 0.0026 -0.0122 -0.0105 1031 SER 138 N 0.0021 -0.0091 -0.0054 1032 SER 138 CA 0.0035 -0.0091 -0.0032 1033 SER 138 C 0.0027 -0.0072 -0.0008 1034 SER 138 O 0.0039 -0.0073 0.0009 1035 SER 138 CB 0.0040 -0.0095 -0.0030 1036 SER 138 OG 0.0053 -0.0106 -0.0031 1037 LYS 139 N -0.0012 -0.0049 0.0016 1038 LYS 139 CA -0.0022 -0.0030 0.0036 1039 LYS 139 C -0.0029 -0.0023 0.0031 1040 LYS 139 O -0.0040 -0.0007 0.0040 1041 LYS 139 CB -0.0033 -0.0016 0.0037 1042 LYS 139 CG -0.0024 -0.0025 0.0042 1043 LYS 139 CD -0.0037 -0.0013 0.0036 1044 LYS 139 CE -0.0029 -0.0018 0.0045 1045 LYS 139 NZ -0.0047 -0.0002 0.0031 1046 TYR 140 N -0.0027 -0.0031 0.0016 1047 TYR 140 CA -0.0034 -0.0024 0.0011 1048 TYR 140 C -0.0033 -0.0019 0.0031 1049 TYR 140 O -0.0046 -0.0003 0.0032 1050 TYR 140 CB -0.0030 -0.0036 -0.0010 1051 TYR 140 CG -0.0041 -0.0033 -0.0034 1052 TYR 140 CD1 -0.0047 -0.0033 -0.0054 1053 TYR 140 CD2 -0.0045 -0.0031 -0.0043 1054 TYR 140 CE1 -0.0056 -0.0030 -0.0077 1055 TYR 140 CE2 -0.0054 -0.0030 -0.0068 1056 TYR 140 CZ -0.0059 -0.0029 -0.0085 1057 TYR 140 OH -0.0067 -0.0028 -0.0105 1058 ARG 141 N -0.0020 -0.0027 0.0048 1059 ARG 141 CA -0.0015 -0.0025 0.0071 1060 ARG 141 C -0.0003 -0.0031 0.0093 1061 ARG 141 O 0.0006 -0.0043 0.0087 1062 ARG 141 CB -0.0015 -0.0028 0.0064 1063 ARG 141 CG 0.0005 -0.0054 0.0056 1064 ARG 141 CD 0.0006 -0.0055 0.0055 1065 ARG 141 NE 0.0020 -0.0075 0.0044 1066 ARG 141 CZ 0.0028 -0.0084 0.0046 1067 ARG 141 NH1 0.0023 -0.0077 0.0048 1068 ARG 141 NH2 0.0043 -0.0104 0.0038 1069 ARG 141 OXT -0.0003 -0.0025 0.0110 1070 VAL 1 N -0.0047 0.0094 -0.0131 1071 VAL 1 CA -0.0027 0.0090 -0.0139 1072 VAL 1 C -0.0016 0.0079 -0.0125 1073 VAL 1 O -0.0033 0.0085 -0.0124 1074 VAL 1 CB -0.0013 0.0083 -0.0137 1075 VAL 1 CG1 -0.0004 0.0090 -0.0162 1076 VAL 1 CG2 -0.0017 0.0079 -0.0124 1077 HIS 2 N -0.0008 0.0078 -0.0131 1078 HIS 2 CA -0.0002 0.0070 -0.0118 1079 HIS 2 C 0.0015 0.0058 -0.0107 1080 HIS 2 O 0.0033 0.0054 -0.0112 1081 HIS 2 CB 0.0020 0.0068 -0.0132 1082 HIS 2 CG 0.0028 0.0063 -0.0130 1083 HIS 2 ND1 0.0051 0.0055 -0.0132 1084 HIS 2 CD2 0.0022 0.0060 -0.0117 1085 HIS 2 CE1 0.0055 0.0046 -0.0115 1086 HIS 2 NE2 0.0042 0.0046 -0.0103 1087 LEU 3 N 0.0008 0.0056 -0.0094 1088 LEU 3 CA 0.0020 0.0045 -0.0080 1089 LEU 3 C 0.0020 0.0038 -0.0066 1090 LEU 3 O 0.0009 0.0042 -0.0065 1091 LEU 3 CB 0.0006 0.0046 -0.0069 1092 LEU 3 CG 0.0004 0.0051 -0.0079 1093 LEU 3 CD1 -0.0006 0.0050 -0.0069 1094 LEU 3 CD2 0.0020 0.0043 -0.0076 1095 THR 4 N 0.0054 -0.0017 -0.0024 1096 THR 4 CA 0.0032 -0.0060 0.0061 1097 THR 4 C 0.0021 -0.0036 0.0095 1098 THR 4 O 0.0033 -0.0000 0.0047 1099 THR 4 CB 0.0048 -0.0156 0.0019 1100 THR 4 OG1 0.0065 -0.0187 -0.0034 1101 THR 4 CG2 0.0064 -0.0202 -0.0027 1102 PRO 5 N 0.0002 -0.0079 0.0171 1103 PRO 5 CA -0.0013 -0.0060 0.0221 1104 PRO 5 C 0.0007 -0.0081 0.0153 1105 PRO 5 O 0.0005 -0.0036 0.0153 1106 PRO 5 CB -0.0037 -0.0085 0.0309 1107 PRO 5 CG -0.0040 -0.0110 0.0323 1108 PRO 5 CD -0.0022 -0.0107 0.0260 1109 GLU 6 N 0.0021 -0.0163 0.0117 1110 GLU 6 CA 0.0034 -0.0211 0.0079 1111 GLU 6 C 0.0059 -0.0145 -0.0019 1112 GLU 6 O 0.0068 -0.0142 -0.0052 1113 GLU 6 CB 0.0052 -0.0309 0.0032 1114 GLU 6 CG 0.0059 -0.0343 0.0013 1115 GLU 6 CD 0.0033 -0.0357 0.0110 1116 GLU 6 OE1 0.0006 -0.0340 0.0202 1117 GLU 6 OE2 0.0028 -0.0324 0.0122 1118 GLU 7 N 0.0066 -0.0042 -0.0042 1119 GLU 7 CA 0.0075 -0.0017 -0.0078 1120 GLU 7 C 0.0073 0.0018 -0.0065 1121 GLU 7 O 0.0079 0.0029 -0.0090 1122 GLU 7 CB 0.0078 -0.0016 -0.0086 1123 GLU 7 CG 0.0083 -0.0052 -0.0109 1124 GLU 7 CD 0.0087 -0.0038 -0.0122 1125 GLU 7 OE1 0.0095 -0.0055 -0.0153 1126 GLU 7 OE2 0.0082 -0.0020 -0.0103 1127 LYS 8 N 0.0066 0.0037 -0.0039 1128 LYS 8 CA 0.0064 0.0069 -0.0029 1129 LYS 8 C 0.0063 0.0062 -0.0026 1130 LYS 8 O 0.0066 0.0086 -0.0039 1131 LYS 8 CB 0.0053 0.0084 0.0012 1132 LYS 8 CG 0.0051 0.0100 0.0021 1133 LYS 8 CD 0.0041 0.0130 0.0059 1134 LYS 8 CE 0.0039 0.0155 0.0069 1135 LYS 8 NZ 0.0022 0.0164 0.0130 1136 SER 9 N 0.0058 0.0035 -0.0008 1137 SER 9 CA 0.0056 0.0029 -0.0004 1138 SER 9 C 0.0067 0.0020 -0.0044 1139 SER 9 O 0.0068 0.0033 -0.0049 1140 SER 9 CB 0.0046 0.0002 0.0034 1141 SER 9 OG 0.0053 -0.0026 0.0004 1142 ALA 10 N 0.0073 0.0030 -0.0087 1143 ALA 10 CA 0.0069 0.0032 -0.0100 1144 ALA 10 C 0.0067 0.0048 -0.0111 1145 ALA 10 O 0.0066 0.0056 -0.0120 1146 ALA 10 CB 0.0066 0.0019 -0.0109 1147 VAL 11 N 0.0068 0.0051 -0.0108 1148 VAL 11 CA 0.0068 0.0065 -0.0115 1149 VAL 11 C 0.0070 0.0080 -0.0111 1150 VAL 11 O 0.0068 0.0090 -0.0121 1151 VAL 11 CB 0.0069 0.0063 -0.0112 1152 VAL 11 CG1 0.0069 0.0078 -0.0115 1153 VAL 11 CG2 0.0065 0.0051 -0.0121 1154 THR 12 N 0.0074 0.0080 -0.0096 1155 THR 12 CA 0.0078 0.0094 -0.0087 1156 THR 12 C 0.0077 0.0098 -0.0092 1157 THR 12 O 0.0077 0.0110 -0.0097 1158 THR 12 CB 0.0084 0.0093 -0.0068 1159 THR 12 OG1 0.0084 0.0093 -0.0068 1160 THR 12 CG2 0.0084 0.0092 -0.0067 1161 ALA 13 N 0.0091 0.0086 -0.0109 1162 ALA 13 CA 0.0092 0.0091 -0.0092 1163 ALA 13 C 0.0084 0.0093 -0.0081 1164 ALA 13 O 0.0074 0.0095 -0.0070 1165 ALA 13 CB 0.0114 0.0096 -0.0088 1166 LEU 14 N 0.0084 0.0091 -0.0089 1167 LEU 14 CA 0.0071 0.0092 -0.0081 1168 LEU 14 C 0.0053 0.0089 -0.0081 1169 LEU 14 O 0.0042 0.0090 -0.0072 1170 LEU 14 CB 0.0078 0.0089 -0.0092 1171 LEU 14 CG 0.0073 0.0091 -0.0083 1172 LEU 14 CD1 0.0078 0.0097 -0.0067 1173 LEU 14 CD2 0.0071 0.0087 -0.0097 1174 TRP 15 N 0.0047 0.0083 -0.0097 1175 TRP 15 CA 0.0028 0.0080 -0.0100 1176 TRP 15 C 0.0020 0.0083 -0.0085 1177 TRP 15 O 0.0003 0.0081 -0.0082 1178 TRP 15 CB 0.0026 0.0074 -0.0117 1179 TRP 15 CG 0.0005 0.0069 -0.0121 1180 TRP 15 CD1 -0.0007 0.0067 -0.0123 1181 TRP 15 CD2 -0.0002 0.0067 -0.0127 1182 TRP 15 NE1 -0.0023 0.0063 -0.0128 1183 TRP 15 CE2 -0.0022 0.0063 -0.0129 1184 TRP 15 CE3 0.0004 0.0067 -0.0128 1185 TRP 15 CZ2 -0.0034 0.0060 -0.0135 1186 TRP 15 CZ3 -0.0009 0.0064 -0.0133 1187 TRP 15 CH2 -0.0026 0.0060 -0.0137 1188 GLY 16 N 0.0048 0.0083 -0.0106 1189 GLY 16 CA 0.0038 0.0081 -0.0092 1190 GLY 16 C 0.0032 0.0084 -0.0064 1191 GLY 16 O 0.0018 0.0078 -0.0052 1192 LYS 17 N 0.0039 0.0091 -0.0053 1193 LYS 17 CA 0.0035 0.0095 -0.0026 1194 LYS 17 C 0.0017 0.0085 -0.0021 1195 LYS 17 O 0.0007 0.0086 0.0006 1196 LYS 17 CB 0.0053 0.0111 -0.0012 1197 LYS 17 CG 0.0075 0.0123 -0.0020 1198 LYS 17 CD 0.0093 0.0138 -0.0009 1199 LYS 17 CE 0.0118 0.0152 -0.0017 1200 LYS 17 NZ 0.0126 0.0164 0.0007 1201 VAL 18 N 0.0004 0.0073 -0.0035 1202 VAL 18 CA -0.0013 0.0063 -0.0033 1203 VAL 18 C -0.0037 0.0048 -0.0026 1204 VAL 18 O -0.0045 0.0040 -0.0039 1205 VAL 18 CB -0.0013 0.0055 -0.0060 1206 VAL 18 CG1 -0.0033 0.0043 -0.0057 1207 VAL 18 CG2 0.0010 0.0071 -0.0056 1208 ASN 19 N -0.0054 0.0010 0.0033 1209 ASN 19 CA -0.0102 -0.0013 0.0041 1210 ASN 19 C -0.0111 -0.0001 0.0005 1211 ASN 19 O -0.0086 0.0006 0.0012 1212 ASN 19 CB -0.0097 -0.0034 0.0091 1213 ASN 19 CG -0.0140 -0.0052 0.0093 1214 ASN 19 OD1 -0.0170 -0.0054 0.0069 1215 ASN 19 ND2 -0.0141 -0.0076 0.0143 1216 VAL 20 N -0.0142 0.0001 -0.0028 1217 VAL 20 CA -0.0150 0.0018 -0.0072 1218 VAL 20 C -0.0163 0.0007 -0.0060 1219 VAL 20 O -0.0147 0.0019 -0.0070 1220 VAL 20 CB -0.0185 0.0021 -0.0109 1221 VAL 20 CG1 -0.0191 0.0036 -0.0148 1222 VAL 20 CG2 -0.0160 0.0038 -0.0126 1223 ASP 21 N -0.0188 -0.0017 -0.0029 1224 ASP 21 CA -0.0207 -0.0030 -0.0017 1225 ASP 21 C -0.0169 -0.0028 0.0013 1226 ASP 21 O -0.0160 -0.0019 0.0001 1227 ASP 21 CB -0.0244 -0.0058 0.0012 1228 ASP 21 CG -0.0302 -0.0068 -0.0019 1229 ASP 21 OD1 -0.0300 -0.0049 -0.0058 1230 ASP 21 OD2 -0.0332 -0.0096 0.0015 1231 GLU 22 N -0.0126 -0.0026 0.0011 1232 GLU 22 CA -0.0095 -0.0028 0.0030 1233 GLU 22 C -0.0068 -0.0008 0.0007 1234 GLU 22 O -0.0057 -0.0004 0.0005 1235 GLU 22 CB -0.0083 -0.0038 0.0054 1236 GLU 22 CG -0.0053 -0.0037 0.0067 1237 GLU 22 CD -0.0014 -0.0039 0.0093 1238 GLU 22 OE1 -0.0019 -0.0036 0.0085 1239 GLU 22 OE2 -0.0049 -0.0064 0.0120 1240 VAL 23 N -0.0061 0.0002 -0.0008 1241 VAL 23 CA -0.0035 0.0021 -0.0030 1242 VAL 23 C -0.0050 0.0032 -0.0057 1243 VAL 23 O -0.0027 0.0045 -0.0069 1244 VAL 23 CB -0.0026 0.0031 -0.0042 1245 VAL 23 CG1 -0.0009 0.0050 -0.0068 1246 VAL 23 CG2 -0.0010 0.0018 -0.0011 1247 GLY 24 N -0.0081 0.0028 -0.0066 1248 GLY 24 CA -0.0094 0.0037 -0.0088 1249 GLY 24 C -0.0090 0.0035 -0.0083 1250 GLY 24 O -0.0079 0.0046 -0.0097 1251 GLY 25 N -0.0054 0.0025 -0.0046 1252 GLY 25 CA -0.0049 0.0021 -0.0040 1253 GLY 25 C -0.0029 0.0025 -0.0040 1254 GLY 25 O -0.0023 0.0029 -0.0043 1255 GLU 26 N -0.0021 0.0023 -0.0034 1256 GLU 26 CA -0.0002 0.0025 -0.0032 1257 GLU 26 C 0.0004 0.0038 -0.0047 1258 GLU 26 O 0.0016 0.0040 -0.0048 1259 GLU 26 CB 0.0004 0.0021 -0.0024 1260 GLU 26 CG 0.0024 0.0018 -0.0015 1261 GLU 26 CD 0.0038 0.0014 -0.0007 1262 GLU 26 OE1 0.0053 0.0020 -0.0011 1263 GLU 26 OE2 0.0021 0.0010 -0.0005 1264 ALA 27 N -0.0003 0.0042 -0.0055 1265 ALA 27 CA 0.0005 0.0054 -0.0068 1266 ALA 27 C 0.0001 0.0059 -0.0077 1267 ALA 27 O 0.0011 0.0067 -0.0084 1268 ALA 27 CB -0.0003 0.0057 -0.0076 1269 LEU 28 N -0.0014 0.0037 -0.0046 1270 LEU 28 CA -0.0019 0.0041 -0.0051 1271 LEU 28 C -0.0012 0.0040 -0.0051 1272 LEU 28 O -0.0008 0.0044 -0.0058 1273 LEU 28 CB -0.0033 0.0043 -0.0053 1274 LEU 28 CG -0.0036 0.0050 -0.0064 1275 LEU 28 CD1 -0.0034 0.0056 -0.0073 1276 LEU 28 CD2 -0.0049 0.0049 -0.0061 1277 GLY 29 N -0.0011 0.0033 -0.0040 1278 GLY 29 CA -0.0005 0.0032 -0.0039 1279 GLY 29 C 0.0010 0.0033 -0.0042 1280 GLY 29 O 0.0015 0.0036 -0.0047 1281 ARG 30 N 0.0016 0.0031 -0.0040 1282 ARG 30 CA 0.0030 0.0032 -0.0043 1283 ARG 30 C 0.0031 0.0041 -0.0056 1284 ARG 30 O 0.0040 0.0043 -0.0060 1285 ARG 30 CB 0.0036 0.0029 -0.0038 1286 ARG 30 CG 0.0041 0.0021 -0.0027 1287 ARG 30 CD 0.0047 0.0019 -0.0023 1288 ARG 30 NE 0.0048 0.0011 -0.0012 1289 ARG 30 CZ 0.0058 0.0007 -0.0006 1290 ARG 30 NH1 0.0069 0.0010 -0.0012 1291 ARG 30 NH2 0.0060 0.0001 0.0004 1292 LEU 31 N 0.0007 0.0004 -0.0028 1293 LEU 31 CA 0.0007 0.0001 -0.0025 1294 LEU 31 C 0.0006 0.0000 -0.0024 1295 LEU 31 O 0.0004 -0.0002 -0.0022 1296 LEU 31 CB 0.0011 -0.0001 -0.0023 1297 LEU 31 CG 0.0011 -0.0004 -0.0020 1298 LEU 31 CD1 0.0008 -0.0005 -0.0018 1299 LEU 31 CD2 0.0016 -0.0005 -0.0019 1300 LEU 32 N 0.0008 0.0001 -0.0025 1301 LEU 32 CA 0.0008 0.0000 -0.0024 1302 LEU 32 C 0.0004 0.0001 -0.0025 1303 LEU 32 O 0.0003 0.0000 -0.0024 1304 LEU 32 CB 0.0012 0.0001 -0.0026 1305 LEU 32 CG 0.0016 -0.0000 -0.0024 1306 LEU 32 CD1 0.0017 -0.0002 -0.0022 1307 LEU 32 CD2 0.0019 0.0001 -0.0026 1308 VAL 33 N 0.0002 0.0004 -0.0028 1309 VAL 33 CA -0.0001 0.0005 -0.0029 1310 VAL 33 C -0.0005 0.0003 -0.0026 1311 VAL 33 O -0.0008 0.0003 -0.0026 1312 VAL 33 CB -0.0002 0.0008 -0.0032 1313 VAL 33 CG1 -0.0006 0.0009 -0.0033 1314 VAL 33 CG2 0.0001 0.0009 -0.0034 1315 VAL 34 N 0.0019 -0.0024 -0.0021 1316 VAL 34 CA 0.0012 -0.0024 -0.0018 1317 VAL 34 C 0.0013 -0.0026 -0.0011 1318 VAL 34 O 0.0009 -0.0026 -0.0009 1319 VAL 34 CB 0.0010 -0.0023 -0.0020 1320 VAL 34 CG1 0.0004 -0.0023 -0.0017 1321 VAL 34 CG2 0.0009 -0.0021 -0.0026 1322 TYR 35 N 0.0018 -0.0027 -0.0009 1323 TYR 35 CA 0.0019 -0.0029 -0.0003 1324 TYR 35 C 0.0025 -0.0030 -0.0001 1325 TYR 35 O 0.0029 -0.0031 -0.0001 1326 TYR 35 CB 0.0019 -0.0030 -0.0000 1327 TYR 35 CG 0.0014 -0.0028 -0.0002 1328 TYR 35 CD1 0.0008 -0.0028 0.0001 1329 TYR 35 CD2 0.0013 -0.0027 -0.0006 1330 TYR 35 CE1 0.0002 -0.0027 -0.0001 1331 TYR 35 CE2 0.0008 -0.0026 -0.0008 1332 TYR 35 CZ 0.0003 -0.0026 -0.0005 1333 TYR 35 OH -0.0003 -0.0025 -0.0007 1334 PRO 36 N 0.0025 -0.0030 -0.0002 1335 PRO 36 CA 0.0031 -0.0031 -0.0002 1336 PRO 36 C 0.0034 -0.0033 0.0003 1337 PRO 36 O 0.0040 -0.0033 0.0003 1338 PRO 36 CB 0.0029 -0.0030 -0.0003 1339 PRO 36 CG 0.0023 -0.0029 -0.0003 1340 PRO 36 CD 0.0021 -0.0029 -0.0003 1341 TRP 37 N 0.0038 -0.0044 0.0022 1342 TRP 37 CA 0.0039 -0.0041 0.0024 1343 TRP 37 C 0.0036 -0.0042 0.0023 1344 TRP 37 O 0.0037 -0.0040 0.0024 1345 TRP 37 CB 0.0037 -0.0037 0.0027 1346 TRP 37 CG 0.0032 -0.0036 0.0026 1347 TRP 37 CD1 0.0027 -0.0033 0.0027 1348 TRP 37 CD2 0.0031 -0.0036 0.0025 1349 TRP 37 NE1 0.0024 -0.0033 0.0026 1350 TRP 37 CE2 0.0025 -0.0035 0.0025 1351 TRP 37 CE3 0.0033 -0.0039 0.0024 1352 TRP 37 CZ2 0.0022 -0.0035 0.0025 1353 TRP 37 CZ3 0.0030 -0.0038 0.0024 1354 TRP 37 CH2 0.0025 -0.0037 0.0024 1355 THR 38 N 0.0032 -0.0044 0.0020 1356 THR 38 CA 0.0029 -0.0045 0.0019 1357 THR 38 C 0.0032 -0.0048 0.0018 1358 THR 38 O 0.0030 -0.0049 0.0017 1359 THR 38 CB 0.0024 -0.0047 0.0016 1360 THR 38 OG1 0.0025 -0.0051 0.0014 1361 THR 38 CG2 0.0021 -0.0044 0.0018 1362 GLN 39 N 0.0036 -0.0050 0.0018 1363 GLN 39 CA 0.0041 -0.0053 0.0017 1364 GLN 39 C 0.0043 -0.0050 0.0019 1365 GLN 39 O 0.0044 -0.0052 0.0018 1366 GLN 39 CB 0.0044 -0.0055 0.0016 1367 GLN 39 CG 0.0043 -0.0058 0.0013 1368 GLN 39 CD 0.0047 -0.0061 0.0013 1369 GLN 39 OE1 0.0051 -0.0060 0.0014 1370 GLN 39 NE2 0.0045 -0.0063 0.0011 1371 ARG 40 N 0.0031 -0.0019 0.0042 1372 ARG 40 CA 0.0035 -0.0013 0.0047 1373 ARG 40 C 0.0035 -0.0012 0.0049 1374 ARG 40 O 0.0041 -0.0008 0.0051 1375 ARG 40 CB 0.0032 -0.0010 0.0053 1376 ARG 40 CG 0.0026 -0.0010 0.0058 1377 ARG 40 CD 0.0022 -0.0008 0.0063 1378 ARG 40 NE 0.0026 -0.0003 0.0066 1379 ARG 40 CZ 0.0028 0.0002 0.0072 1380 ARG 40 NH1 0.0025 0.0002 0.0074 1381 ARG 40 NH2 0.0033 0.0006 0.0074 1382 PHE 41 N 0.0031 -0.0013 0.0049 1383 PHE 41 CA 0.0031 -0.0011 0.0052 1384 PHE 41 C 0.0036 -0.0014 0.0046 1385 PHE 41 O 0.0036 -0.0012 0.0048 1386 PHE 41 CB 0.0022 -0.0014 0.0053 1387 PHE 41 CG 0.0018 -0.0012 0.0059 1388 PHE 41 CD1 0.0013 -0.0016 0.0057 1389 PHE 41 CD2 0.0020 -0.0006 0.0066 1390 PHE 41 CE1 0.0009 -0.0014 0.0063 1391 PHE 41 CE2 0.0015 -0.0005 0.0071 1392 PHE 41 CZ 0.0010 -0.0009 0.0068 1393 PHE 42 N 0.0037 -0.0017 0.0041 1394 PHE 42 CA 0.0039 -0.0020 0.0035 1395 PHE 42 C 0.0046 -0.0020 0.0030 1396 PHE 42 O 0.0049 -0.0023 0.0025 1397 PHE 42 CB 0.0033 -0.0026 0.0030 1398 PHE 42 CG 0.0027 -0.0026 0.0034 1399 PHE 42 CD1 0.0020 -0.0029 0.0036 1400 PHE 42 CD2 0.0024 -0.0026 0.0036 1401 PHE 42 CE1 0.0013 -0.0028 0.0040 1402 PHE 42 CE2 0.0017 -0.0026 0.0040 1403 PHE 42 CZ 0.0011 -0.0028 0.0042 1404 GLU 43 N 0.0072 -0.0014 0.0050 1405 GLU 43 CA 0.0082 -0.0017 0.0048 1406 GLU 43 C 0.0100 -0.0022 0.0043 1407 GLU 43 O 0.0107 -0.0024 0.0032 1408 GLU 43 CB 0.0083 -0.0016 0.0063 1409 GLU 43 CG 0.0094 -0.0018 0.0077 1410 GLU 43 CD 0.0091 -0.0015 0.0100 1411 GLU 43 OE1 0.0086 -0.0014 0.0095 1412 GLU 43 OE2 0.0101 -0.0018 0.0104 1413 SER 44 N 0.0102 -0.0023 0.0039 1414 SER 44 CA 0.0116 -0.0027 0.0028 1415 SER 44 C 0.0113 -0.0028 0.0014 1416 SER 44 O 0.0119 -0.0030 -0.0000 1417 SER 44 CB 0.0117 -0.0027 0.0030 1418 SER 44 OG 0.0113 -0.0027 0.0026 1419 PHE 45 N 0.0098 -0.0024 0.0005 1420 PHE 45 CA 0.0092 -0.0024 -0.0011 1421 PHE 45 C 0.0095 -0.0025 -0.0016 1422 PHE 45 O 0.0090 -0.0025 -0.0031 1423 PHE 45 CB 0.0074 -0.0019 -0.0010 1424 PHE 45 CG 0.0070 -0.0018 -0.0011 1425 PHE 45 CD1 0.0055 -0.0014 -0.0015 1426 PHE 45 CD2 0.0075 -0.0019 -0.0006 1427 PHE 45 CE1 0.0051 -0.0013 -0.0014 1428 PHE 45 CE2 0.0075 -0.0018 -0.0003 1429 PHE 45 CZ 0.0060 -0.0015 -0.0010 1430 GLY 46 N 0.0110 -0.0034 0.0003 1431 GLY 46 CA 0.0090 -0.0012 -0.0006 1432 GLY 46 C 0.0045 0.0001 -0.0006 1433 GLY 46 O 0.0028 -0.0027 0.0013 1434 ASP 47 N 0.0037 0.0027 -0.0019 1435 ASP 47 CA -0.0010 0.0036 -0.0016 1436 ASP 47 C -0.0018 0.0048 -0.0021 1437 ASP 47 O 0.0007 0.0063 -0.0034 1438 ASP 47 CB -0.0010 0.0074 -0.0038 1439 ASP 47 CG -0.0048 0.0083 -0.0036 1440 ASP 47 OD1 -0.0063 0.0115 -0.0052 1441 ASP 47 OD2 -0.0085 0.0061 -0.0017 1442 LEU 48 N -0.0037 0.0017 -0.0000 1443 LEU 48 CA -0.0051 0.0014 0.0004 1444 LEU 48 C -0.0096 0.0021 0.0008 1445 LEU 48 O -0.0111 0.0011 0.0016 1446 LEU 48 CB -0.0031 -0.0015 0.0017 1447 LEU 48 CG 0.0010 -0.0015 0.0010 1448 LEU 48 CD1 0.0027 -0.0052 0.0028 1449 LEU 48 CD2 0.0029 0.0008 -0.0007 1450 SER 49 N -0.0158 0.0035 -0.0015 1451 SER 49 CA -0.0212 0.0011 -0.0021 1452 SER 49 C -0.0223 0.0051 -0.0028 1453 SER 49 O -0.0266 0.0019 -0.0030 1454 SER 49 CB -0.0246 0.0039 -0.0030 1455 SER 49 OG -0.0231 0.0100 -0.0036 1456 THR 50 N -0.0208 0.0075 -0.0029 1457 THR 50 CA -0.0210 0.0093 -0.0032 1458 THR 50 C -0.0165 0.0103 -0.0027 1459 THR 50 O -0.0125 0.0104 -0.0020 1460 THR 50 CB -0.0233 0.0131 -0.0041 1461 THR 50 OG1 -0.0211 0.0179 -0.0045 1462 THR 50 CG2 -0.0291 0.0144 -0.0052 1463 PRO 51 N -0.0174 0.0116 -0.0030 1464 PRO 51 CA -0.0132 0.0117 -0.0023 1465 PRO 51 C -0.0102 0.0160 -0.0025 1466 PRO 51 O -0.0051 0.0165 -0.0018 1467 PRO 51 CB -0.0150 0.0124 -0.0027 1468 PRO 51 CG -0.0196 0.0091 -0.0030 1469 PRO 51 CD -0.0220 0.0100 -0.0035 1470 ASP 52 N -0.0147 0.0190 -0.0034 1471 ASP 52 CA -0.0124 0.0217 -0.0048 1472 ASP 52 C -0.0095 0.0191 -0.0051 1473 ASP 52 O -0.0059 0.0199 -0.0065 1474 ASP 52 CB -0.0155 0.0247 -0.0047 1475 ASP 52 CG -0.0160 0.0296 -0.0058 1476 ASP 52 OD1 -0.0146 0.0296 -0.0063 1477 ASP 52 OD2 -0.0204 0.0301 -0.0045 1478 ALA 53 N -0.0113 0.0157 -0.0036 1479 ALA 53 CA -0.0088 0.0127 -0.0036 1480 ALA 53 C -0.0046 0.0107 -0.0045 1481 ALA 53 O -0.0011 0.0098 -0.0053 1482 ALA 53 CB -0.0112 0.0097 -0.0020 1483 VAL 54 N -0.0053 0.0092 -0.0038 1484 VAL 54 CA -0.0019 0.0072 -0.0044 1485 VAL 54 C 0.0009 0.0099 -0.0060 1486 VAL 54 O 0.0051 0.0091 -0.0072 1487 VAL 54 CB -0.0039 0.0048 -0.0031 1488 VAL 54 CG1 0.0001 0.0037 -0.0041 1489 VAL 54 CG2 -0.0071 0.0020 -0.0013 1490 MET 55 N -0.0013 0.0083 -0.0059 1491 MET 55 CA -0.0003 0.0093 -0.0070 1492 MET 55 C 0.0007 0.0095 -0.0078 1493 MET 55 O 0.0018 0.0100 -0.0087 1494 MET 55 CB -0.0013 0.0111 -0.0072 1495 MET 55 CG -0.0023 0.0111 -0.0065 1496 MET 55 SD -0.0013 0.0101 -0.0067 1497 MET 55 CE -0.0002 0.0113 -0.0080 1498 GLY 56 N 0.0002 0.0094 -0.0074 1499 GLY 56 CA 0.0012 0.0096 -0.0082 1500 GLY 56 C 0.0019 0.0079 -0.0078 1501 GLY 56 O 0.0030 0.0078 -0.0085 1502 ASN 57 N 0.0023 0.0066 -0.0075 1503 ASN 57 CA 0.0030 0.0051 -0.0072 1504 ASN 57 C 0.0045 0.0049 -0.0081 1505 ASN 57 O 0.0052 0.0049 -0.0086 1506 ASN 57 CB 0.0025 0.0037 -0.0063 1507 ASN 57 CG 0.0034 0.0020 -0.0061 1508 ASN 57 OD1 0.0045 0.0016 -0.0066 1509 ASN 57 ND2 0.0024 0.0013 -0.0051 1510 PRO 58 N 0.0065 -0.0025 -0.0140 1511 PRO 58 CA 0.0059 -0.0029 -0.0152 1512 PRO 58 C 0.0052 -0.0019 -0.0140 1513 PRO 58 O 0.0038 -0.0018 -0.0153 1514 PRO 58 CB 0.0083 -0.0050 -0.0167 1515 PRO 58 CG 0.0095 -0.0051 -0.0156 1516 PRO 58 CD 0.0095 -0.0043 -0.0140 1517 LYS 59 N 0.0066 -0.0013 -0.0115 1518 LYS 59 CA 0.0062 -0.0002 -0.0098 1519 LYS 59 C 0.0036 0.0017 -0.0090 1520 LYS 59 O 0.0021 0.0023 -0.0093 1521 LYS 59 CB 0.0082 -0.0002 -0.0077 1522 LYS 59 CG 0.0104 -0.0017 -0.0082 1523 LYS 59 CD 0.0119 -0.0023 -0.0079 1524 LYS 59 CE 0.0146 -0.0045 -0.0091 1525 LYS 59 NZ 0.0165 -0.0040 -0.0062 1526 VAL 60 N 0.0030 0.0020 -0.0090 1527 VAL 60 CA 0.0005 0.0036 -0.0085 1528 VAL 60 C -0.0013 0.0036 -0.0104 1529 VAL 60 O -0.0035 0.0046 -0.0108 1530 VAL 60 CB 0.0001 0.0044 -0.0075 1531 VAL 60 CG1 -0.0027 0.0056 -0.0081 1532 VAL 60 CG2 0.0019 0.0047 -0.0051 1533 LYS 61 N -0.0065 0.0018 -0.0106 1534 LYS 61 CA -0.0081 0.0013 -0.0118 1535 LYS 61 C -0.0097 0.0011 -0.0130 1536 LYS 61 O -0.0111 0.0021 -0.0139 1537 LYS 61 CB -0.0078 -0.0010 -0.0120 1538 LYS 61 CG -0.0068 -0.0011 -0.0113 1539 LYS 61 CD -0.0060 -0.0040 -0.0113 1540 LYS 61 CE -0.0059 -0.0035 -0.0111 1541 LYS 61 NZ -0.0050 -0.0061 -0.0110 1542 ALA 62 N -0.0094 0.0004 -0.0129 1543 ALA 62 CA -0.0108 0.0005 -0.0140 1544 ALA 62 C -0.0115 0.0028 -0.0140 1545 ALA 62 O -0.0129 0.0032 -0.0150 1546 ALA 62 CB -0.0100 -0.0007 -0.0136 1547 HIS 63 N -0.0101 0.0038 -0.0128 1548 HIS 63 CA -0.0107 0.0061 -0.0128 1549 HIS 63 C -0.0118 0.0073 -0.0134 1550 HIS 63 O -0.0133 0.0083 -0.0143 1551 HIS 63 CB -0.0094 0.0072 -0.0116 1552 HIS 63 CG -0.0097 0.0092 -0.0114 1553 HIS 63 ND1 -0.0112 0.0093 -0.0125 1554 HIS 63 CD2 -0.0099 0.0113 -0.0112 1555 HIS 63 CE1 -0.0114 0.0117 -0.0122 1556 HIS 63 NE2 -0.0107 0.0126 -0.0115 1557 GLY 64 N -0.0130 0.0075 -0.0137 1558 GLY 64 CA -0.0100 0.0080 -0.0134 1559 GLY 64 C -0.0143 0.0068 -0.0134 1560 GLY 64 O -0.0153 0.0082 -0.0149 1561 LYS 65 N -0.0193 0.0025 -0.0106 1562 LYS 65 CA -0.0250 0.0010 -0.0107 1563 LYS 65 C -0.0300 0.0044 -0.0151 1564 LYS 65 O -0.0326 0.0046 -0.0159 1565 LYS 65 CB -0.0297 -0.0054 -0.0059 1566 LYS 65 CG -0.0316 -0.0048 -0.0069 1567 LYS 65 CD -0.0373 -0.0141 0.0003 1568 LYS 65 CE -0.0447 -0.0084 -0.0069 1569 LYS 65 NZ -0.0518 -0.0156 -0.0020 1570 LYS 66 N -0.0313 0.0070 -0.0178 1571 LYS 66 CA -0.0356 0.0097 -0.0214 1572 LYS 66 C -0.0324 0.0156 -0.0261 1573 LYS 66 O -0.0362 0.0175 -0.0288 1574 LYS 66 CB -0.0380 0.0123 -0.0244 1575 LYS 66 CG -0.0421 0.0162 -0.0291 1576 LYS 66 CD -0.0445 0.0172 -0.0306 1577 LYS 66 CE -0.0562 0.0153 -0.0318 1578 LYS 66 NZ -0.0589 0.0189 -0.0358 1579 VAL 67 N -0.0209 0.0109 -0.0206 1580 VAL 67 CA -0.0186 0.0111 -0.0223 1581 VAL 67 C -0.0168 0.0108 -0.0210 1582 VAL 67 O -0.0163 0.0110 -0.0220 1583 VAL 67 CB -0.0173 0.0113 -0.0233 1584 VAL 67 CG1 -0.0144 0.0114 -0.0241 1585 VAL 67 CG2 -0.0190 0.0117 -0.0247 1586 LEU 68 N -0.0162 0.0102 -0.0187 1587 LEU 68 CA -0.0145 0.0099 -0.0175 1588 LEU 68 C -0.0157 0.0098 -0.0170 1589 LEU 68 O -0.0143 0.0097 -0.0166 1590 LEU 68 CB -0.0132 0.0094 -0.0155 1591 LEU 68 CG -0.0103 0.0092 -0.0152 1592 LEU 68 CD1 -0.0104 0.0088 -0.0131 1593 LEU 68 CD2 -0.0089 0.0096 -0.0172 1594 GLY 69 N -0.0181 0.0098 -0.0164 1595 GLY 69 CA -0.0193 0.0097 -0.0160 1596 GLY 69 C -0.0195 0.0102 -0.0181 1597 GLY 69 O -0.0188 0.0102 -0.0181 1598 ALA 70 N -0.0098 0.0084 -0.0180 1599 ALA 70 CA -0.0094 0.0080 -0.0189 1600 ALA 70 C -0.0083 0.0082 -0.0191 1601 ALA 70 O -0.0075 0.0080 -0.0195 1602 ALA 70 CB -0.0100 0.0075 -0.0195 1603 PHE 71 N -0.0083 0.0084 -0.0187 1604 PHE 71 CA -0.0073 0.0086 -0.0188 1605 PHE 71 C -0.0065 0.0091 -0.0183 1606 PHE 71 O -0.0057 0.0090 -0.0188 1607 PHE 71 CB -0.0076 0.0088 -0.0183 1608 PHE 71 CG -0.0066 0.0091 -0.0183 1609 PHE 71 CD1 -0.0064 0.0087 -0.0189 1610 PHE 71 CD2 -0.0059 0.0097 -0.0176 1611 PHE 71 CE1 -0.0055 0.0089 -0.0190 1612 PHE 71 CE2 -0.0052 0.0098 -0.0177 1613 PHE 71 CZ -0.0049 0.0094 -0.0184 1614 SER 72 N -0.0067 0.0094 -0.0177 1615 SER 72 CA -0.0062 0.0099 -0.0171 1616 SER 72 C -0.0057 0.0096 -0.0178 1617 SER 72 O -0.0047 0.0098 -0.0179 1618 SER 72 CB -0.0067 0.0104 -0.0162 1619 SER 72 OG -0.0062 0.0108 -0.0156 1620 ASP 73 N -0.0006 0.0109 -0.0188 1621 ASP 73 CA -0.0003 0.0108 -0.0187 1622 ASP 73 C -0.0006 0.0108 -0.0182 1623 ASP 73 O -0.0008 0.0109 -0.0181 1624 ASP 73 CB 0.0006 0.0106 -0.0185 1625 ASP 73 CG 0.0010 0.0105 -0.0192 1626 ASP 73 OD1 0.0008 0.0107 -0.0199 1627 ASP 73 OD2 0.0015 0.0104 -0.0191 1628 GLY 74 N -0.0010 0.0108 -0.0176 1629 GLY 74 CA -0.0014 0.0109 -0.0172 1630 GLY 74 C -0.0020 0.0111 -0.0173 1631 GLY 74 O -0.0025 0.0112 -0.0171 1632 LEU 75 N -0.0024 0.0113 -0.0181 1633 LEU 75 CA -0.0030 0.0115 -0.0183 1634 LEU 75 C -0.0029 0.0115 -0.0186 1635 LEU 75 O -0.0034 0.0116 -0.0187 1636 LEU 75 CB -0.0032 0.0116 -0.0190 1637 LEU 75 CG -0.0033 0.0116 -0.0188 1638 LEU 75 CD1 -0.0035 0.0118 -0.0194 1639 LEU 75 CD2 -0.0038 0.0117 -0.0182 1640 ALA 76 N 0.0008 0.0121 -0.0204 1641 ALA 76 CA 0.0008 0.0121 -0.0209 1642 ALA 76 C 0.0008 0.0120 -0.0187 1643 ALA 76 O 0.0003 0.0121 -0.0188 1644 ALA 76 CB 0.0039 0.0115 -0.0222 1645 HIS 77 N 0.0005 0.0118 -0.0155 1646 HIS 77 CA 0.0007 0.0116 -0.0127 1647 HIS 77 C -0.0020 0.0120 -0.0111 1648 HIS 77 O -0.0017 0.0118 -0.0084 1649 HIS 77 CB 0.0031 0.0109 -0.0113 1650 HIS 77 CG 0.0059 0.0105 -0.0134 1651 HIS 77 ND1 0.0080 0.0101 -0.0153 1652 HIS 77 CD2 0.0058 0.0105 -0.0136 1653 HIS 77 CE1 0.0091 0.0099 -0.0161 1654 HIS 77 NE2 0.0083 0.0101 -0.0154 1655 LEU 78 N -0.0044 0.0127 -0.0122 1656 LEU 78 CA -0.0067 0.0131 -0.0107 1657 LEU 78 C -0.0082 0.0133 -0.0085 1658 LEU 78 O -0.0086 0.0132 -0.0062 1659 LEU 78 CB -0.0095 0.0138 -0.0126 1660 LEU 78 CG -0.0089 0.0138 -0.0141 1661 LEU 78 CD1 -0.0107 0.0144 -0.0171 1662 LEU 78 CD2 -0.0083 0.0136 -0.0127 1663 ASP 79 N -0.0096 0.0127 -0.0081 1664 ASP 79 CA -0.0111 0.0121 -0.0045 1665 ASP 79 C -0.0079 0.0102 0.0000 1666 ASP 79 O -0.0068 0.0092 0.0026 1667 ASP 79 CB -0.0076 0.0121 -0.0072 1668 ASP 79 CG -0.0101 0.0135 -0.0104 1669 ASP 79 OD1 -0.0085 0.0138 -0.0130 1670 ASP 79 OD2 -0.0163 0.0147 -0.0100 1671 ASN 80 N -0.0037 0.0095 -0.0008 1672 ASN 80 CA 0.0010 0.0074 0.0032 1673 ASN 80 C 0.0017 0.0074 0.0026 1674 ASN 80 O 0.0056 0.0065 0.0026 1675 ASN 80 CB 0.0047 0.0069 0.0019 1676 ASN 80 CG 0.0091 0.0048 0.0064 1677 ASN 80 OD1 0.0066 0.0042 0.0105 1678 ASN 80 ND2 0.0132 0.0047 0.0033 1679 LEU 81 N -0.0021 0.0079 0.0037 1680 LEU 81 CA 0.0004 0.0072 0.0044 1681 LEU 81 C 0.0035 0.0056 0.0079 1682 LEU 81 O 0.0065 0.0048 0.0084 1683 LEU 81 CB -0.0043 0.0084 0.0037 1684 LEU 81 CG -0.0076 0.0102 -0.0004 1685 LEU 81 CD1 -0.0125 0.0111 0.0003 1686 LEU 81 CD2 -0.0051 0.0109 -0.0048 1687 LYS 82 N 0.0007 -0.0014 0.0148 1688 LYS 82 CA 0.0023 -0.0027 0.0171 1689 LYS 82 C 0.0068 -0.0018 0.0177 1690 LYS 82 O 0.0090 -0.0013 0.0180 1691 LYS 82 CB 0.0008 -0.0060 0.0207 1692 LYS 82 CG -0.0039 -0.0077 0.0211 1693 LYS 82 CD -0.0054 -0.0116 0.0254 1694 LYS 82 CE -0.0042 -0.0120 0.0266 1695 LYS 82 NZ -0.0037 -0.0168 0.0329 1696 GLY 83 N 0.0097 -0.0012 0.0180 1697 GLY 83 CA 0.0151 0.0002 0.0185 1698 GLY 83 C 0.0163 0.0033 0.0150 1699 GLY 83 O 0.0201 0.0041 0.0155 1700 THR 84 N 0.0142 0.0052 0.0117 1701 THR 84 CA 0.0148 0.0085 0.0077 1702 THR 84 C 0.0151 0.0087 0.0075 1703 THR 84 O 0.0169 0.0105 0.0059 1704 THR 84 CB 0.0120 0.0105 0.0040 1705 THR 84 OG1 0.0135 0.0103 0.0048 1706 THR 84 CG2 0.0135 0.0133 0.0009 1707 PHE 85 N 0.0061 0.0055 0.0133 1708 PHE 85 CA 0.0036 0.0058 0.0114 1709 PHE 85 C 0.0046 0.0042 0.0134 1710 PHE 85 O 0.0025 0.0040 0.0120 1711 PHE 85 CB -0.0010 0.0052 0.0087 1712 PHE 85 CG -0.0017 0.0078 0.0061 1713 PHE 85 CD1 -0.0030 0.0071 0.0058 1714 PHE 85 CD2 -0.0007 0.0116 0.0038 1715 PHE 85 CE1 -0.0034 0.0103 0.0030 1716 PHE 85 CE2 -0.0018 0.0140 0.0011 1717 PHE 85 CZ -0.0029 0.0138 0.0005 1718 ALA 86 N 0.0072 0.0023 0.0166 1719 ALA 86 CA 0.0080 0.0001 0.0189 1720 ALA 86 C 0.0090 0.0022 0.0180 1721 ALA 86 O 0.0073 0.0011 0.0177 1722 ALA 86 CB 0.0112 -0.0019 0.0228 1723 THR 87 N 0.0120 0.0056 0.0174 1724 THR 87 CA 0.0128 0.0075 0.0165 1725 THR 87 C 0.0096 0.0094 0.0127 1726 THR 87 O 0.0088 0.0091 0.0123 1727 THR 87 CB 0.0170 0.0127 0.0152 1728 THR 87 OG1 0.0198 0.0110 0.0185 1729 THR 87 CG2 0.0191 0.0131 0.0165 1730 LEU 88 N 0.0010 0.0107 0.0158 1731 LEU 88 CA -0.0021 0.0114 0.0137 1732 LEU 88 C -0.0043 0.0083 0.0123 1733 LEU 88 O -0.0068 0.0089 0.0106 1734 LEU 88 CB -0.0022 0.0134 0.0134 1735 LEU 88 CG -0.0007 0.0173 0.0142 1736 LEU 88 CD1 -0.0017 0.0181 0.0135 1737 LEU 88 CD2 -0.0031 0.0193 0.0124 1738 SER 89 N -0.0032 0.0051 0.0133 1739 SER 89 CA -0.0053 0.0018 0.0121 1740 SER 89 C -0.0064 0.0013 0.0113 1741 SER 89 O -0.0090 0.0009 0.0096 1742 SER 89 CB -0.0033 -0.0010 0.0136 1743 SER 89 OG -0.0055 -0.0044 0.0124 1744 GLU 90 N -0.0039 0.0013 0.0131 1745 GLU 90 CA -0.0045 0.0017 0.0126 1746 GLU 90 C -0.0066 0.0038 0.0111 1747 GLU 90 O -0.0088 0.0030 0.0096 1748 GLU 90 CB -0.0011 0.0013 0.0150 1749 GLU 90 CG 0.0001 -0.0014 0.0159 1750 GLU 90 CD 0.0038 -0.0025 0.0186 1751 GLU 90 OE1 0.0031 -0.0020 0.0180 1752 GLU 90 OE2 0.0061 -0.0010 0.0200 1753 LEU 91 N -0.0156 0.0056 0.0138 1754 LEU 91 CA -0.0184 0.0072 0.0139 1755 LEU 91 C -0.0184 0.0066 0.0120 1756 LEU 91 O -0.0208 0.0073 0.0102 1757 LEU 91 CB -0.0185 0.0087 0.0181 1758 LEU 91 CG -0.0212 0.0104 0.0186 1759 LEU 91 CD1 -0.0247 0.0121 0.0177 1760 LEU 91 CD2 -0.0212 0.0115 0.0218 1761 HIS 92 N -0.0152 0.0051 0.0132 1762 HIS 92 CA -0.0154 0.0048 0.0117 1763 HIS 92 C -0.0153 0.0032 0.0071 1764 HIS 92 O -0.0167 0.0034 0.0053 1765 HIS 92 CB -0.0117 0.0032 0.0133 1766 HIS 92 CG -0.0120 0.0047 0.0171 1767 HIS 92 ND1 -0.0113 0.0054 0.0205 1768 HIS 92 CD2 -0.0122 0.0053 0.0186 1769 HIS 92 CE1 -0.0119 0.0067 0.0234 1770 HIS 92 NE2 -0.0120 0.0063 0.0220 1771 CYS 93 N -0.0141 0.0020 0.0057 1772 CYS 93 CA -0.0146 0.0010 0.0017 1773 CYS 93 C -0.0186 0.0027 -0.0000 1774 CYS 93 O -0.0198 0.0027 -0.0022 1775 CYS 93 CB -0.0120 -0.0007 0.0010 1776 CYS 93 SG -0.0124 -0.0023 -0.0043 1777 ASP 94 N -0.0204 0.0031 -0.0012 1778 ASP 94 CA -0.0257 0.0058 -0.0058 1779 ASP 94 C -0.0301 0.0073 -0.0028 1780 ASP 94 O -0.0343 0.0094 -0.0070 1781 ASP 94 CB -0.0292 0.0072 -0.0051 1782 ASP 94 CG -0.0260 0.0062 -0.0086 1783 ASP 94 OD1 -0.0225 0.0051 -0.0122 1784 ASP 94 OD2 -0.0276 0.0066 -0.0058 1785 LYS 95 N -0.0313 0.0072 0.0033 1786 LYS 95 CA -0.0354 0.0088 0.0046 1787 LYS 95 C -0.0340 0.0080 0.0069 1788 LYS 95 O -0.0359 0.0089 0.0056 1789 LYS 95 CB -0.0395 0.0098 0.0114 1790 LYS 95 CG -0.0430 0.0114 0.0097 1791 LYS 95 CD -0.0475 0.0139 0.0036 1792 LYS 95 CE -0.0520 0.0158 0.0032 1793 LYS 95 NZ -0.0559 0.0179 -0.0022 1794 LEU 96 N -0.0280 0.0051 0.0108 1795 LEU 96 CA -0.0254 0.0039 0.0123 1796 LEU 96 C -0.0210 0.0025 0.0076 1797 LEU 96 O -0.0200 0.0021 0.0082 1798 LEU 96 CB -0.0233 0.0023 0.0194 1799 LEU 96 CG -0.0271 0.0033 0.0254 1800 LEU 96 CD1 -0.0229 0.0009 0.0317 1801 LEU 96 CD2 -0.0326 0.0055 0.0263 1802 HIS 97 N -0.0120 0.0015 0.0039 1803 HIS 97 CA -0.0099 0.0017 0.0021 1804 HIS 97 C -0.0074 0.0006 0.0033 1805 HIS 97 O -0.0059 0.0005 0.0026 1806 HIS 97 CB -0.0104 0.0025 0.0005 1807 HIS 97 CG -0.0133 0.0037 -0.0005 1808 HIS 97 ND1 -0.0138 0.0044 -0.0020 1809 HIS 97 CD2 -0.0153 0.0038 0.0005 1810 HIS 97 CE1 -0.0163 0.0051 -0.0020 1811 HIS 97 NE2 -0.0172 0.0048 -0.0008 1812 VAL 98 N -0.0067 -0.0002 0.0048 1813 VAL 98 CA -0.0045 -0.0014 0.0063 1814 VAL 98 C -0.0021 -0.0013 0.0046 1815 VAL 98 O -0.0022 -0.0014 0.0048 1816 VAL 98 CB -0.0048 -0.0023 0.0088 1817 VAL 98 CG1 -0.0026 -0.0035 0.0101 1818 VAL 98 CG2 -0.0070 -0.0024 0.0104 1819 ASP 99 N -0.0001 -0.0015 0.0038 1820 ASP 99 CA 0.0021 -0.0015 0.0023 1821 ASP 99 C 0.0031 -0.0026 0.0045 1822 ASP 99 O 0.0037 -0.0036 0.0066 1823 ASP 99 CB 0.0040 -0.0018 0.0020 1824 ASP 99 CG 0.0068 -0.0020 0.0007 1825 ASP 99 OD1 0.0081 -0.0021 -0.0001 1826 ASP 99 OD2 0.0070 -0.0021 0.0007 1827 PRO 100 N 0.0013 -0.0035 0.0048 1828 PRO 100 CA 0.0012 -0.0033 0.0045 1829 PRO 100 C 0.0011 -0.0030 0.0046 1830 PRO 100 O 0.0010 -0.0029 0.0044 1831 PRO 100 CB 0.0011 -0.0032 0.0043 1832 PRO 100 CG 0.0012 -0.0033 0.0045 1833 PRO 100 CD 0.0013 -0.0035 0.0048 1834 GLU 101 N 0.0011 -0.0030 0.0049 1835 GLU 101 CA 0.0010 -0.0027 0.0050 1836 GLU 101 C 0.0010 -0.0028 0.0049 1837 GLU 101 O 0.0010 -0.0027 0.0048 1838 GLU 101 CB 0.0010 -0.0026 0.0054 1839 GLU 101 CG 0.0009 -0.0024 0.0055 1840 GLU 101 CD 0.0007 -0.0020 0.0053 1841 GLU 101 OE1 0.0008 -0.0021 0.0053 1842 GLU 101 OE2 0.0007 -0.0020 0.0054 1843 ASN 102 N 0.0012 -0.0031 0.0049 1844 ASN 102 CA 0.0012 -0.0032 0.0048 1845 ASN 102 C 0.0011 -0.0031 0.0045 1846 ASN 102 O 0.0011 -0.0031 0.0044 1847 ASN 102 CB 0.0013 -0.0036 0.0048 1848 ASN 102 CG 0.0014 -0.0037 0.0052 1849 ASN 102 OD1 0.0014 -0.0037 0.0053 1850 ASN 102 ND2 0.0015 -0.0038 0.0053 1851 PHE 103 N -0.0012 -0.0020 0.0044 1852 PHE 103 CA -0.0017 -0.0022 0.0043 1853 PHE 103 C -0.0023 -0.0026 0.0041 1854 PHE 103 O -0.0026 -0.0030 0.0037 1855 PHE 103 CB -0.0020 -0.0020 0.0049 1856 PHE 103 CG -0.0014 -0.0016 0.0052 1857 PHE 103 CD1 -0.0009 -0.0016 0.0048 1858 PHE 103 CD2 -0.0015 -0.0012 0.0058 1859 PHE 103 CE1 -0.0003 -0.0012 0.0050 1860 PHE 103 CE2 -0.0009 -0.0008 0.0060 1861 PHE 103 CZ -0.0004 -0.0009 0.0056 1862 ARG 104 N -0.0024 -0.0025 0.0043 1863 ARG 104 CA -0.0030 -0.0029 0.0042 1864 ARG 104 C -0.0029 -0.0032 0.0035 1865 ARG 104 O -0.0033 -0.0036 0.0031 1866 ARG 104 CB -0.0032 -0.0026 0.0046 1867 ARG 104 CG -0.0035 -0.0024 0.0053 1868 ARG 104 CD -0.0036 -0.0020 0.0059 1869 ARG 104 NE -0.0036 -0.0017 0.0065 1870 ARG 104 CZ -0.0041 -0.0016 0.0069 1871 ARG 104 NH1 -0.0037 -0.0015 0.0068 1872 ARG 104 NH2 -0.0048 -0.0016 0.0075 1873 LEU 105 N -0.0022 -0.0031 0.0033 1874 LEU 105 CA -0.0019 -0.0033 0.0027 1875 LEU 105 C -0.0019 -0.0036 0.0022 1876 LEU 105 O -0.0022 -0.0040 0.0018 1877 LEU 105 CB -0.0012 -0.0031 0.0026 1878 LEU 105 CG -0.0012 -0.0028 0.0030 1879 LEU 105 CD1 -0.0004 -0.0026 0.0029 1880 LEU 105 CD2 -0.0015 -0.0032 0.0027 1881 LEU 106 N -0.0019 0.0017 -0.0024 1882 LEU 106 CA -0.0017 0.0021 -0.0026 1883 LEU 106 C -0.0017 0.0021 -0.0026 1884 LEU 106 O -0.0017 0.0024 -0.0028 1885 LEU 106 CB -0.0012 0.0022 -0.0025 1886 LEU 106 CG -0.0009 0.0026 -0.0026 1887 LEU 106 CD1 -0.0011 0.0029 -0.0030 1888 LEU 106 CD2 -0.0005 0.0027 -0.0025 1889 GLY 107 N -0.0016 0.0018 -0.0023 1890 GLY 107 CA -0.0016 0.0018 -0.0023 1891 GLY 107 C -0.0020 0.0018 -0.0025 1892 GLY 107 O -0.0020 0.0020 -0.0027 1893 ASN 108 N -0.0024 0.0016 -0.0026 1894 ASN 108 CA -0.0028 0.0017 -0.0028 1895 ASN 108 C -0.0029 0.0021 -0.0031 1896 ASN 108 O -0.0031 0.0022 -0.0033 1897 ASN 108 CB -0.0032 0.0014 -0.0027 1898 ASN 108 CG -0.0033 0.0009 -0.0024 1899 ASN 108 OD1 -0.0030 0.0010 -0.0023 1900 ASN 108 ND2 -0.0035 0.0008 -0.0024 1901 VAL 109 N -0.0002 0.0027 -0.0044 1902 VAL 109 CA -0.0003 0.0025 -0.0038 1903 VAL 109 C -0.0004 0.0024 -0.0038 1904 VAL 109 O -0.0002 0.0025 -0.0033 1905 VAL 109 CB -0.0008 0.0019 -0.0036 1906 VAL 109 CG1 -0.0010 0.0017 -0.0029 1907 VAL 109 CG2 -0.0008 0.0020 -0.0033 1908 LEU 110 N -0.0006 0.0023 -0.0045 1909 LEU 110 CA -0.0006 0.0022 -0.0046 1910 LEU 110 C -0.0001 0.0027 -0.0044 1911 LEU 110 O 0.0000 0.0028 -0.0041 1912 LEU 110 CB -0.0009 0.0020 -0.0053 1913 LEU 110 CG -0.0009 0.0020 -0.0055 1914 LEU 110 CD1 -0.0012 0.0017 -0.0049 1915 LEU 110 CD2 -0.0011 0.0018 -0.0062 1916 VAL 111 N 0.0003 0.0032 -0.0047 1917 VAL 111 CA 0.0009 0.0037 -0.0047 1918 VAL 111 C 0.0010 0.0038 -0.0039 1919 VAL 111 O 0.0013 0.0040 -0.0035 1920 VAL 111 CB 0.0012 0.0041 -0.0052 1921 VAL 111 CG1 0.0018 0.0046 -0.0049 1922 VAL 111 CG2 0.0011 0.0040 -0.0059 1923 CYS 112 N 0.0027 0.0034 -0.0022 1924 CYS 112 CA 0.0025 0.0037 -0.0013 1925 CYS 112 C 0.0024 0.0035 -0.0012 1926 CYS 112 O 0.0025 0.0041 -0.0008 1927 CYS 112 CB 0.0022 0.0034 -0.0005 1928 CYS 112 SG 0.0023 0.0038 -0.0005 1929 VAL 113 N 0.0022 0.0027 -0.0015 1930 VAL 113 CA 0.0021 0.0026 -0.0014 1931 VAL 113 C 0.0025 0.0030 -0.0020 1932 VAL 113 O 0.0025 0.0034 -0.0015 1933 VAL 113 CB 0.0017 0.0015 -0.0017 1934 VAL 113 CG1 0.0016 0.0013 -0.0017 1935 VAL 113 CG2 0.0013 0.0010 -0.0010 1936 LEU 114 N 0.0028 0.0032 -0.0028 1937 LEU 114 CA 0.0032 0.0038 -0.0033 1938 LEU 114 C 0.0034 0.0047 -0.0027 1939 LEU 114 O 0.0036 0.0051 -0.0028 1940 LEU 114 CB 0.0035 0.0037 -0.0042 1941 LEU 114 CG 0.0033 0.0028 -0.0048 1942 LEU 114 CD1 0.0036 0.0028 -0.0057 1943 LEU 114 CD2 0.0033 0.0026 -0.0050 1944 ALA 115 N 0.0046 0.0044 0.0004 1945 ALA 115 CA 0.0051 0.0043 0.0007 1946 ALA 115 C 0.0053 0.0037 0.0011 1947 ALA 115 O 0.0055 0.0033 0.0014 1948 ALA 115 CB 0.0056 0.0048 0.0004 1949 HIS 116 N 0.0054 0.0036 0.0012 1950 HIS 116 CA 0.0056 0.0031 0.0016 1951 HIS 116 C 0.0051 0.0026 0.0018 1952 HIS 116 O 0.0053 0.0021 0.0021 1953 HIS 116 CB 0.0057 0.0031 0.0016 1954 HIS 116 CG 0.0060 0.0027 0.0019 1955 HIS 116 ND1 0.0056 0.0023 0.0021 1956 HIS 116 CD2 0.0065 0.0025 0.0022 1957 HIS 116 CE1 0.0062 0.0020 0.0024 1958 HIS 116 NE2 0.0066 0.0020 0.0025 1959 HIS 117 N 0.0045 0.0026 0.0016 1960 HIS 117 CA 0.0040 0.0022 0.0017 1961 HIS 117 C 0.0039 0.0020 0.0018 1962 HIS 117 O 0.0037 0.0015 0.0021 1963 HIS 117 CB 0.0032 0.0023 0.0014 1964 HIS 117 CG 0.0029 0.0019 0.0016 1965 HIS 117 ND1 0.0036 0.0022 0.0016 1966 HIS 117 CD2 0.0023 0.0014 0.0018 1967 HIS 117 CE1 0.0032 0.0019 0.0017 1968 HIS 117 NE2 0.0025 0.0017 0.0016 1969 PHE 118 N 0.0048 0.0072 -0.0017 1970 PHE 118 CA 0.0059 0.0077 -0.0018 1971 PHE 118 C 0.0060 0.0084 -0.0014 1972 PHE 118 O 0.0070 0.0092 -0.0014 1973 PHE 118 CB 0.0067 0.0071 -0.0026 1974 PHE 118 CG 0.0067 0.0068 -0.0028 1975 PHE 118 CD1 0.0063 0.0057 -0.0033 1976 PHE 118 CD2 0.0071 0.0074 -0.0025 1977 PHE 118 CE1 0.0063 0.0053 -0.0036 1978 PHE 118 CE2 0.0073 0.0069 -0.0029 1979 PHE 118 CZ 0.0066 0.0061 -0.0032 1980 GLY 119 N 0.0053 0.0082 -0.0012 1981 GLY 119 CA 0.0054 0.0090 -0.0008 1982 GLY 119 C 0.0065 0.0090 -0.0013 1983 GLY 119 O 0.0070 0.0082 -0.0020 1984 LYS 120 N 0.0071 0.0099 -0.0010 1985 LYS 120 CA 0.0082 0.0100 -0.0014 1986 LYS 120 C 0.0093 0.0097 -0.0020 1987 LYS 120 O 0.0100 0.0095 -0.0025 1988 LYS 120 CB 0.0088 0.0113 -0.0008 1989 LYS 120 CG 0.0092 0.0119 -0.0006 1990 LYS 120 CD 0.0097 0.0131 -0.0000 1991 LYS 120 CE 0.0103 0.0136 -0.0000 1992 LYS 120 NZ 0.0110 0.0145 0.0002 1993 GLU 121 N 0.0060 0.0119 -0.0035 1994 GLU 121 CA 0.0070 0.0114 -0.0040 1995 GLU 121 C 0.0070 0.0099 -0.0039 1996 GLU 121 O 0.0079 0.0095 -0.0044 1997 GLU 121 CB 0.0077 0.0114 -0.0045 1998 GLU 121 CG 0.0086 0.0116 -0.0050 1999 GLU 121 CD 0.0092 0.0113 -0.0053 2000 GLU 121 OE1 0.0106 0.0108 -0.0061 2001 GLU 121 OE2 0.0089 0.0124 -0.0053 2002 PHE 122 N 0.0061 0.0093 -0.0033 2003 PHE 122 CA 0.0061 0.0080 -0.0031 2004 PHE 122 C 0.0057 0.0082 -0.0029 2005 PHE 122 O 0.0048 0.0080 -0.0024 2006 PHE 122 CB 0.0052 0.0073 -0.0025 2007 PHE 122 CG 0.0054 0.0059 -0.0025 2008 PHE 122 CD1 0.0064 0.0052 -0.0030 2009 PHE 122 CD2 0.0046 0.0053 -0.0020 2010 PHE 122 CE1 0.0066 0.0039 -0.0030 2011 PHE 122 CE2 0.0047 0.0039 -0.0019 2012 PHE 122 CZ 0.0058 0.0033 -0.0024 2013 THR 123 N 0.0065 0.0085 -0.0034 2014 THR 123 CA 0.0062 0.0089 -0.0033 2015 THR 123 C 0.0059 0.0075 -0.0030 2016 THR 123 O 0.0063 0.0067 -0.0031 2017 THR 123 CB 0.0072 0.0094 -0.0039 2018 THR 123 OG1 0.0081 0.0088 -0.0044 2019 THR 123 CG2 0.0074 0.0108 -0.0042 2020 PRO 124 N 0.0030 0.0086 -0.0005 2021 PRO 124 CA 0.0029 0.0073 -0.0005 2022 PRO 124 C 0.0041 0.0065 -0.0014 2023 PRO 124 O 0.0039 0.0049 -0.0014 2024 PRO 124 CB 0.0025 0.0081 -0.0001 2025 PRO 124 CG 0.0017 0.0096 0.0005 2026 PRO 124 CD 0.0025 0.0104 -0.0001 2027 PRO 125 N 0.0052 0.0070 -0.0022 2028 PRO 125 CA 0.0065 0.0062 -0.0032 2029 PRO 125 C 0.0067 0.0052 -0.0034 2030 PRO 125 O 0.0071 0.0038 -0.0038 2031 PRO 125 CB 0.0077 0.0072 -0.0040 2032 PRO 125 CG 0.0070 0.0086 -0.0035 2033 PRO 125 CD 0.0058 0.0089 -0.0025 2034 VAL 126 N 0.0064 0.0058 -0.0031 2035 VAL 126 CA 0.0065 0.0049 -0.0032 2036 VAL 126 C 0.0054 0.0037 -0.0025 2037 VAL 126 O 0.0058 0.0021 -0.0029 2038 VAL 126 CB 0.0062 0.0061 -0.0030 2039 VAL 126 CG1 0.0064 0.0051 -0.0032 2040 VAL 126 CG2 0.0075 0.0071 -0.0039 2041 GLN 127 N 0.0037 0.0038 -0.0017 2042 GLN 127 CA 0.0032 0.0031 -0.0013 2043 GLN 127 C 0.0034 0.0026 -0.0022 2044 GLN 127 O 0.0031 0.0016 -0.0025 2045 GLN 127 CB 0.0030 0.0036 -0.0001 2046 GLN 127 CG 0.0025 0.0028 0.0002 2047 GLN 127 CD 0.0024 0.0035 0.0012 2048 GLN 127 OE1 0.0026 0.0045 0.0018 2049 GLN 127 NE2 0.0020 0.0029 0.0015 2050 ALA 128 N 0.0040 0.0034 -0.0028 2051 ALA 128 CA 0.0043 0.0032 -0.0037 2052 ALA 128 C 0.0043 0.0022 -0.0048 2053 ALA 128 O 0.0040 0.0014 -0.0052 2054 ALA 128 CB 0.0049 0.0043 -0.0041 2055 ALA 129 N 0.0045 0.0023 -0.0053 2056 ALA 129 CA 0.0045 0.0015 -0.0062 2057 ALA 129 C 0.0037 0.0003 -0.0057 2058 ALA 129 O 0.0036 -0.0007 -0.0065 2059 ALA 129 CB 0.0048 0.0019 -0.0066 2060 TYR 130 N 0.0022 0.0047 -0.0066 2061 TYR 130 CA 0.0020 0.0037 -0.0063 2062 TYR 130 C 0.0014 0.0029 -0.0057 2063 TYR 130 O 0.0014 0.0020 -0.0056 2064 TYR 130 CB 0.0015 0.0043 -0.0058 2065 TYR 130 CG 0.0020 0.0044 -0.0064 2066 TYR 130 CD1 0.0021 0.0036 -0.0065 2067 TYR 130 CD2 0.0022 0.0055 -0.0068 2068 TYR 130 CE1 0.0027 0.0038 -0.0071 2069 TYR 130 CE2 0.0029 0.0056 -0.0075 2070 TYR 130 CZ 0.0029 0.0048 -0.0074 2071 TYR 130 OH 0.0035 0.0049 -0.0080 2072 GLN 131 N 0.0010 0.0033 -0.0052 2073 GLN 131 CA 0.0006 0.0026 -0.0048 2074 GLN 131 C 0.0011 0.0017 -0.0052 2075 GLN 131 O 0.0010 0.0007 -0.0049 2076 GLN 131 CB 0.0001 0.0032 -0.0043 2077 GLN 131 CG -0.0006 0.0039 -0.0036 2078 GLN 131 CD -0.0013 0.0033 -0.0028 2079 GLN 131 OE1 -0.0018 0.0040 -0.0023 2080 GLN 131 NE2 -0.0015 0.0023 -0.0025 2081 LYS 132 N 0.0018 0.0021 -0.0060 2082 LYS 132 CA 0.0024 0.0014 -0.0065 2083 LYS 132 C 0.0027 0.0004 -0.0067 2084 LYS 132 O 0.0027 -0.0007 -0.0067 2085 LYS 132 CB 0.0030 0.0018 -0.0072 2086 LYS 132 CG 0.0028 0.0025 -0.0071 2087 LYS 132 CD 0.0035 0.0030 -0.0079 2088 LYS 132 CE 0.0030 0.0038 -0.0074 2089 LYS 132 NZ 0.0040 0.0041 -0.0085 2090 VAL 133 N -0.0068 0.0058 -0.0087 2091 VAL 133 CA -0.0053 0.0055 -0.0090 2092 VAL 133 C -0.0055 0.0048 -0.0083 2093 VAL 133 O -0.0045 0.0038 -0.0077 2094 VAL 133 CB -0.0047 0.0067 -0.0102 2095 VAL 133 CG1 -0.0035 0.0065 -0.0104 2096 VAL 133 CG2 -0.0042 0.0072 -0.0109 2097 VAL 134 N -0.0068 0.0052 -0.0082 2098 VAL 134 CA -0.0071 0.0048 -0.0077 2099 VAL 134 C -0.0073 0.0034 -0.0064 2100 VAL 134 O -0.0069 0.0024 -0.0057 2101 VAL 134 CB -0.0083 0.0052 -0.0076 2102 VAL 134 CG1 -0.0079 0.0064 -0.0089 2103 VAL 134 CG2 -0.0100 0.0056 -0.0074 2104 ALA 135 N -0.0083 0.0031 -0.0058 2105 ALA 135 CA -0.0084 0.0018 -0.0046 2106 ALA 135 C -0.0068 0.0009 -0.0044 2107 ALA 135 O -0.0064 -0.0002 -0.0035 2108 ALA 135 CB -0.0097 0.0019 -0.0042 2109 GLY 136 N -0.0112 0.0047 -0.0017 2110 GLY 136 CA -0.0090 0.0038 -0.0019 2111 GLY 136 C -0.0077 0.0030 -0.0018 2112 GLY 136 O -0.0065 0.0017 -0.0009 2113 VAL 137 N -0.0075 0.0041 -0.0030 2114 VAL 137 CA -0.0061 0.0034 -0.0030 2115 VAL 137 C -0.0068 0.0022 -0.0014 2116 VAL 137 O -0.0053 0.0008 -0.0006 2117 VAL 137 CB -0.0061 0.0048 -0.0046 2118 VAL 137 CG1 -0.0047 0.0041 -0.0044 2119 VAL 137 CG2 -0.0053 0.0059 -0.0062 2120 ALA 138 N -0.0087 0.0023 -0.0004 2121 ALA 138 CA -0.0094 0.0012 0.0012 2122 ALA 138 C -0.0087 -0.0004 0.0026 2123 ALA 138 O -0.0081 -0.0018 0.0037 2124 ALA 138 CB -0.0117 0.0018 0.0017 2125 ASN 139 N -0.0087 -0.0021 0.0080 2126 ASN 139 CA -0.0079 -0.0039 0.0092 2127 ASN 139 C -0.0058 -0.0038 0.0100 2128 ASN 139 O -0.0056 -0.0047 0.0105 2129 ASN 139 CB -0.0076 -0.0049 0.0098 2130 ASN 139 CG -0.0084 -0.0054 0.0097 2131 ASN 139 OD1 -0.0107 -0.0058 0.0090 2132 ASN 139 ND2 -0.0100 -0.0058 0.0093 2133 ALA 140 N -0.0046 -0.0021 0.0096 2134 ALA 140 CA -0.0028 -0.0019 0.0102 2135 ALA 140 C -0.0029 -0.0012 0.0098 2136 ALA 140 O -0.0018 -0.0018 0.0106 2137 ALA 140 CB -0.0014 -0.0002 0.0099 2138 LEU 141 N -0.0040 -0.0002 0.0089 2139 LEU 141 CA -0.0044 0.0003 0.0085 2140 LEU 141 C -0.0049 -0.0013 0.0091 2141 LEU 141 O -0.0050 -0.0014 0.0091 2142 LEU 141 CB -0.0053 0.0020 0.0073 2143 LEU 141 CG -0.0042 0.0038 0.0069 2144 LEU 141 CD1 -0.0055 0.0052 0.0057 2145 LEU 141 CD2 -0.0028 0.0045 0.0071 2146 ALA 142 N -0.0053 -0.0064 0.0096 2147 ALA 142 CA -0.0067 -0.0083 0.0080 2148 ALA 142 C -0.0047 -0.0104 0.0105 2149 ALA 142 O -0.0060 -0.0118 0.0089 2150 ALA 142 CB -0.0082 -0.0113 0.0061 2151 HIS 143 N -0.0028 -0.0103 0.0128 2152 HIS 143 CA -0.0009 -0.0128 0.0152 2153 HIS 143 C -0.0010 -0.0119 0.0150 2154 HIS 143 O -0.0006 -0.0145 0.0157 2155 HIS 143 CB 0.0012 -0.0121 0.0178 2156 HIS 143 CG 0.0031 -0.0152 0.0202 2157 HIS 143 ND1 0.0047 -0.0118 0.0221 2158 HIS 143 CD2 0.0025 -0.0182 0.0195 2159 HIS 143 CE1 0.0058 -0.0169 0.0235 2160 HIS 143 NE2 0.0041 -0.0202 0.0216 2161 LYS 144 N -0.0013 -0.0086 0.0146 2162 LYS 144 CA -0.0009 -0.0078 0.0151 2163 LYS 144 C -0.0030 -0.0079 0.0125 2164 LYS 144 O -0.0032 -0.0065 0.0122 2165 LYS 144 CB 0.0003 -0.0041 0.0165 2166 LYS 144 CG 0.0030 -0.0046 0.0199 2167 LYS 144 CD 0.0046 -0.0056 0.0218 2168 LYS 144 CE 0.0074 -0.0062 0.0253 2169 LYS 144 NZ 0.0086 -0.0011 0.0267 2170 TYR 145 N -0.0024 -0.0046 -0.0018 2171 TYR 145 CA -0.0032 -0.0047 -0.0045 2172 TYR 145 C -0.0038 -0.0050 -0.0094 2173 TYR 145 O -0.0007 -0.0061 -0.0096 2174 TYR 145 CB -0.0022 -0.0050 -0.0042 2175 TYR 145 CG -0.0035 -0.0041 -0.0007 2176 TYR 145 CD1 -0.0055 -0.0036 -0.0018 2177 TYR 145 CD2 -0.0030 -0.0039 0.0029 2178 TYR 145 CE1 -0.0070 -0.0028 0.0010 2179 TYR 145 CE2 -0.0050 -0.0028 0.0064 2180 TYR 145 CZ -0.0069 -0.0023 0.0055 2181 TYR 145 OH -0.0078 -0.0017 0.0086 2182 HIS 146 N -0.0058 -0.0045 -0.0113 2183 HIS 146 CA -0.0067 -0.0048 -0.0161 2184 HIS 146 C -0.0090 -0.0043 -0.0181 2185 HIS 146 O -0.0108 -0.0034 -0.0162 2186 HIS 146 CB -0.0080 -0.0044 -0.0160 2187 HIS 146 CG -0.0138 -0.0024 -0.0160 2188 HIS 146 ND1 -0.0146 -0.0022 -0.0159 2189 HIS 146 CD2 -0.0138 -0.0019 -0.0111 2190 HIS 146 CE1 -0.0192 -0.0004 -0.0134 2191 HIS 146 NE2 -0.0178 -0.0006 -0.0118 2192 HIS 146 OXT -0.0091 -0.0047 -0.0218 2193 VAL 1 N -0.0001 -0.0128 0.0123 2194 VAL 1 CA -0.0005 -0.0129 0.0107 2195 VAL 1 C 0.0002 -0.0139 0.0077 2196 VAL 1 O 0.0018 -0.0149 0.0071 2197 VAL 1 CB 0.0014 -0.0137 0.0120 2198 VAL 1 CG1 0.0016 -0.0143 0.0094 2199 VAL 1 CG2 0.0003 -0.0129 0.0128 2200 LEU 2 N -0.0015 -0.0132 0.0061 2201 LEU 2 CA -0.0019 -0.0134 0.0039 2202 LEU 2 C -0.0003 -0.0148 0.0017 2203 LEU 2 O -0.0014 -0.0141 0.0016 2204 LEU 2 CB -0.0040 -0.0124 0.0029 2205 LEU 2 CG -0.0053 -0.0115 0.0037 2206 LEU 2 CD1 -0.0074 -0.0104 0.0033 2207 LEU 2 CD2 -0.0043 -0.0120 0.0041 2208 SER 3 N 0.0015 -0.0159 0.0011 2209 SER 3 CA 0.0025 -0.0169 -0.0008 2210 SER 3 C 0.0010 -0.0165 -0.0031 2211 SER 3 O -0.0005 -0.0158 -0.0039 2212 SER 3 CB 0.0046 -0.0181 -0.0007 2213 SER 3 OG 0.0045 -0.0183 -0.0021 2214 PRO 4 N 0.0022 -0.0163 -0.0077 2215 PRO 4 CA 0.0020 -0.0151 -0.0101 2216 PRO 4 C 0.0014 -0.0142 -0.0104 2217 PRO 4 O 0.0003 -0.0122 -0.0115 2218 PRO 4 CB 0.0039 -0.0167 -0.0125 2219 PRO 4 CG 0.0047 -0.0185 -0.0109 2220 PRO 4 CD 0.0038 -0.0185 -0.0077 2221 ALA 5 N 0.0023 -0.0159 -0.0091 2222 ALA 5 CA 0.0018 -0.0153 -0.0089 2223 ALA 5 C -0.0004 -0.0129 -0.0074 2224 ALA 5 O -0.0013 -0.0115 -0.0079 2225 ALA 5 CB 0.0028 -0.0171 -0.0079 2226 ASP 6 N -0.0008 -0.0135 -0.0049 2227 ASP 6 CA -0.0027 -0.0116 -0.0030 2228 ASP 6 C -0.0039 -0.0092 -0.0048 2229 ASP 6 O -0.0054 -0.0073 -0.0044 2230 ASP 6 CB -0.0031 -0.0121 -0.0004 2231 ASP 6 CG -0.0023 -0.0142 0.0018 2232 ASP 6 OD1 -0.0022 -0.0145 0.0022 2233 ASP 6 OD2 -0.0019 -0.0153 0.0032 2234 LYS 7 N -0.0045 -0.0109 -0.0050 2235 LYS 7 CA -0.0048 -0.0090 -0.0064 2236 LYS 7 C -0.0050 -0.0074 -0.0075 2237 LYS 7 O -0.0061 -0.0059 -0.0080 2238 LYS 7 CB -0.0035 -0.0101 -0.0065 2239 LYS 7 CG -0.0035 -0.0119 -0.0049 2240 LYS 7 CD -0.0028 -0.0125 -0.0051 2241 LYS 7 CE -0.0018 -0.0143 -0.0045 2242 LYS 7 NZ -0.0007 -0.0157 -0.0041 2243 THR 8 N -0.0034 -0.0079 -0.0085 2244 THR 8 CA -0.0035 -0.0061 -0.0100 2245 THR 8 C -0.0050 -0.0049 -0.0097 2246 THR 8 O -0.0058 -0.0032 -0.0106 2247 THR 8 CB -0.0012 -0.0070 -0.0111 2248 THR 8 OG1 0.0001 -0.0077 -0.0117 2249 THR 8 CG2 -0.0010 -0.0055 -0.0127 2250 ASN 9 N -0.0058 -0.0059 -0.0082 2251 ASN 9 CA -0.0076 -0.0051 -0.0073 2252 ASN 9 C -0.0093 -0.0040 -0.0068 2253 ASN 9 O -0.0104 -0.0023 -0.0073 2254 ASN 9 CB -0.0078 -0.0066 -0.0058 2255 ASN 9 CG -0.0066 -0.0072 -0.0064 2256 ASN 9 OD1 -0.0057 -0.0063 -0.0079 2257 ASN 9 ND2 -0.0062 -0.0088 -0.0053 2258 VAL 10 N -0.0097 -0.0069 -0.0052 2259 VAL 10 CA -0.0106 -0.0060 -0.0048 2260 VAL 10 C -0.0105 -0.0044 -0.0060 2261 VAL 10 O -0.0113 -0.0035 -0.0057 2262 VAL 10 CB -0.0106 -0.0068 -0.0042 2263 VAL 10 CG1 -0.0116 -0.0059 -0.0038 2264 VAL 10 CG2 -0.0111 -0.0079 -0.0030 2265 LYS 11 N -0.0094 -0.0047 -0.0070 2266 LYS 11 CA -0.0092 -0.0035 -0.0081 2267 LYS 11 C -0.0093 -0.0026 -0.0085 2268 LYS 11 O -0.0099 -0.0013 -0.0087 2269 LYS 11 CB -0.0081 -0.0040 -0.0089 2270 LYS 11 CG -0.0078 -0.0048 -0.0087 2271 LYS 11 CD -0.0066 -0.0051 -0.0099 2272 LYS 11 CE -0.0063 -0.0058 -0.0098 2273 LYS 11 NZ -0.0051 -0.0076 -0.0100 2274 ALA 12 N -0.0091 -0.0032 -0.0084 2275 ALA 12 CA -0.0094 -0.0023 -0.0085 2276 ALA 12 C -0.0105 -0.0013 -0.0081 2277 ALA 12 O -0.0111 0.0001 -0.0082 2278 ALA 12 CB -0.0091 -0.0028 -0.0086 2279 ALA 13 N -0.0134 -0.0003 -0.0044 2280 ALA 13 CA -0.0131 -0.0002 -0.0042 2281 ALA 13 C -0.0129 0.0001 -0.0042 2282 ALA 13 O -0.0127 0.0001 -0.0040 2283 ALA 13 CB -0.0132 -0.0002 -0.0042 2284 TRP 14 N -0.0129 0.0002 -0.0046 2285 TRP 14 CA -0.0126 0.0005 -0.0046 2286 TRP 14 C -0.0126 0.0005 -0.0046 2287 TRP 14 O -0.0123 0.0006 -0.0044 2288 TRP 14 CB -0.0126 0.0007 -0.0050 2289 TRP 14 CG -0.0123 0.0009 -0.0050 2290 TRP 14 CD1 -0.0122 0.0011 -0.0051 2291 TRP 14 CD2 -0.0122 0.0010 -0.0049 2292 TRP 14 NE1 -0.0120 0.0013 -0.0051 2293 TRP 14 CE2 -0.0119 0.0013 -0.0049 2294 TRP 14 CE3 -0.0122 0.0009 -0.0047 2295 TRP 14 CZ2 -0.0117 0.0014 -0.0048 2296 TRP 14 CZ3 -0.0119 0.0010 -0.0046 2297 TRP 14 CH2 -0.0117 0.0013 -0.0047 2298 GLY 15 N -0.0127 0.0004 -0.0046 2299 GLY 15 CA -0.0128 0.0003 -0.0046 2300 GLY 15 C -0.0127 0.0002 -0.0042 2301 GLY 15 O -0.0124 0.0004 -0.0041 2302 LYS 16 N -0.0139 0.0002 -0.0007 2303 LYS 16 CA -0.0139 -0.0003 0.0004 2304 LYS 16 C -0.0124 0.0002 0.0005 2305 LYS 16 O -0.0116 0.0000 0.0013 2306 LYS 16 CB -0.0145 -0.0008 0.0011 2307 LYS 16 CG -0.0151 -0.0015 0.0023 2308 LYS 16 CD -0.0141 -0.0015 0.0030 2309 LYS 16 CE -0.0139 -0.0022 0.0047 2310 LYS 16 NZ -0.0127 -0.0019 0.0049 2311 VAL 17 N -0.0120 0.0007 -0.0005 2312 VAL 17 CA -0.0109 0.0012 -0.0006 2313 VAL 17 C -0.0102 0.0012 -0.0002 2314 VAL 17 O -0.0092 0.0013 0.0004 2315 VAL 17 CB -0.0105 0.0017 -0.0016 2316 VAL 17 CG1 -0.0095 0.0021 -0.0018 2317 VAL 17 CG2 -0.0111 0.0014 -0.0014 2318 GLY 18 N -0.0106 0.0015 -0.0011 2319 GLY 18 CA -0.0099 0.0016 -0.0008 2320 GLY 18 C -0.0089 0.0020 -0.0011 2321 GLY 18 O -0.0083 0.0026 -0.0018 2322 ALA 19 N -0.0028 0.0011 0.0031 2323 ALA 19 CA -0.0009 0.0017 0.0029 2324 ALA 19 C -0.0001 0.0019 0.0035 2325 ALA 19 O 0.0018 0.0025 0.0032 2326 ALA 19 CB 0.0001 0.0019 0.0043 2327 HIS 20 N -0.0013 0.0015 0.0042 2328 HIS 20 CA -0.0007 0.0016 0.0045 2329 HIS 20 C -0.0008 0.0018 0.0023 2330 HIS 20 O -0.0005 0.0019 0.0025 2331 HIS 20 CB -0.0022 0.0011 0.0056 2332 HIS 20 CG -0.0028 0.0007 0.0080 2333 HIS 20 ND1 -0.0006 0.0013 0.0090 2334 HIS 20 CD2 -0.0036 0.0004 0.0085 2335 HIS 20 CE1 -0.0011 0.0010 0.0110 2336 HIS 20 NE2 -0.0032 0.0004 0.0103 2337 ALA 21 N -0.0015 0.0017 0.0007 2338 ALA 21 CA -0.0017 0.0018 -0.0014 2339 ALA 21 C 0.0001 0.0024 -0.0020 2340 ALA 21 O -0.0005 0.0022 -0.0022 2341 ALA 21 CB -0.0023 0.0017 -0.0027 2342 GLY 22 N 0.0043 0.0014 -0.0038 2343 GLY 22 CA 0.0062 0.0013 -0.0044 2344 GLY 22 C 0.0062 0.0013 -0.0036 2345 GLY 22 O 0.0065 0.0013 -0.0050 2346 GLU 23 N 0.0059 0.0013 -0.0013 2347 GLU 23 CA 0.0058 0.0013 -0.0003 2348 GLU 23 C 0.0035 0.0014 -0.0018 2349 GLU 23 O 0.0037 0.0014 -0.0022 2350 GLU 23 CB 0.0050 0.0013 0.0027 2351 GLU 23 CG 0.0058 0.0013 0.0037 2352 GLU 23 CD 0.0057 0.0013 0.0074 2353 GLU 23 OE1 0.0019 0.0015 0.0072 2354 GLU 23 OE2 0.0049 0.0013 0.0069 2355 TYR 24 N 0.0015 0.0015 -0.0018 2356 TYR 24 CA -0.0006 0.0016 -0.0030 2357 TYR 24 C -0.0002 0.0015 -0.0058 2358 TYR 24 O -0.0011 0.0016 -0.0069 2359 TYR 24 CB -0.0029 0.0017 -0.0026 2360 TYR 24 CG -0.0039 0.0017 0.0001 2361 TYR 24 CD1 -0.0062 0.0018 0.0002 2362 TYR 24 CD2 -0.0026 0.0016 0.0019 2363 TYR 24 CE1 -0.0065 0.0018 0.0029 2364 TYR 24 CE2 -0.0035 0.0017 0.0046 2365 TYR 24 CZ -0.0055 0.0018 0.0043 2366 TYR 24 OH -0.0061 0.0018 0.0070 2367 GLY 25 N 0.0015 0.0009 -0.0079 2368 GLY 25 CA 0.0022 0.0008 -0.0102 2369 GLY 25 C 0.0038 0.0007 -0.0105 2370 GLY 25 O 0.0034 0.0007 -0.0123 2371 ALA 26 N 0.0057 0.0007 -0.0092 2372 ALA 26 CA 0.0070 0.0006 -0.0092 2373 ALA 26 C 0.0055 0.0007 -0.0091 2374 ALA 26 O 0.0056 0.0006 -0.0100 2375 ALA 26 CB 0.0093 0.0005 -0.0074 2376 GLU 27 N 0.0037 0.0008 -0.0070 2377 GLU 27 CA 0.0023 0.0009 -0.0063 2378 GLU 27 C 0.0006 0.0009 -0.0084 2379 GLU 27 O 0.0003 0.0010 -0.0092 2380 GLU 27 CB 0.0005 0.0010 -0.0043 2381 GLU 27 CG -0.0009 0.0011 -0.0036 2382 GLU 27 CD -0.0024 0.0012 -0.0013 2383 GLU 27 OE1 -0.0047 0.0014 -0.0012 2384 GLU 27 OE2 -0.0016 0.0012 0.0004 2385 ALA 28 N 0.0021 0.0009 -0.0085 2386 ALA 28 CA 0.0010 0.0009 -0.0099 2387 ALA 28 C 0.0015 0.0000 -0.0114 2388 ALA 28 O 0.0006 0.0001 -0.0123 2389 ALA 28 CB 0.0011 0.0009 -0.0098 2390 LEU 29 N 0.0030 -0.0006 -0.0113 2391 LEU 29 CA 0.0034 -0.0014 -0.0127 2392 LEU 29 C 0.0031 -0.0013 -0.0130 2393 LEU 29 O 0.0027 -0.0016 -0.0141 2394 LEU 29 CB 0.0052 -0.0021 -0.0125 2395 LEU 29 CG 0.0056 -0.0024 -0.0127 2396 LEU 29 CD1 0.0070 -0.0028 -0.0122 2397 LEU 29 CD2 0.0050 -0.0027 -0.0141 2398 GLU 30 N 0.0033 -0.0010 -0.0119 2399 GLU 30 CA 0.0031 -0.0008 -0.0118 2400 GLU 30 C 0.0015 -0.0004 -0.0124 2401 GLU 30 O 0.0012 -0.0005 -0.0132 2402 GLU 30 CB 0.0036 -0.0005 -0.0103 2403 GLU 30 CG 0.0033 -0.0004 -0.0105 2404 GLU 30 CD 0.0041 -0.0001 -0.0088 2405 GLU 30 OE1 0.0046 -0.0000 -0.0081 2406 GLU 30 OE2 0.0041 -0.0003 -0.0092 2407 ARG 31 N 0.0021 -0.0005 -0.0074 2408 ARG 31 CA 0.0006 -0.0001 -0.0078 2409 ARG 31 C 0.0003 -0.0003 -0.0098 2410 ARG 31 O -0.0003 -0.0002 -0.0104 2411 ARG 31 CB -0.0005 0.0003 -0.0070 2412 ARG 31 CG -0.0006 0.0006 -0.0053 2413 ARG 31 CD -0.0017 0.0010 -0.0046 2414 ARG 31 NE -0.0019 0.0013 -0.0028 2415 ARG 31 CZ -0.0026 0.0016 -0.0021 2416 ARG 31 NH1 -0.0033 0.0017 -0.0031 2417 ARG 31 NH2 -0.0024 0.0017 -0.0007 2418 MET 32 N 0.0007 -0.0005 -0.0104 2419 MET 32 CA 0.0006 -0.0007 -0.0122 2420 MET 32 C 0.0015 -0.0011 -0.0131 2421 MET 32 O 0.0008 -0.0010 -0.0142 2422 MET 32 CB 0.0010 -0.0009 -0.0125 2423 MET 32 CG 0.0008 -0.0010 -0.0142 2424 MET 32 SD 0.0015 -0.0013 -0.0148 2425 MET 32 CE 0.0035 -0.0019 -0.0145 2426 PHE 33 N 0.0030 -0.0015 -0.0126 2427 PHE 33 CA 0.0038 -0.0019 -0.0135 2428 PHE 33 C 0.0033 -0.0017 -0.0133 2429 PHE 33 O 0.0034 -0.0019 -0.0145 2430 PHE 33 CB 0.0055 -0.0023 -0.0129 2431 PHE 33 CG 0.0062 -0.0026 -0.0129 2432 PHE 33 CD1 0.0061 -0.0027 -0.0144 2433 PHE 33 CD2 0.0073 -0.0027 -0.0118 2434 PHE 33 CE1 0.0068 -0.0030 -0.0147 2435 PHE 33 CE2 0.0078 -0.0029 -0.0122 2436 PHE 33 CZ 0.0076 -0.0031 -0.0135 2437 LEU 34 N 0.0050 -0.0006 -0.0082 2438 LEU 34 CA 0.0044 -0.0002 -0.0086 2439 LEU 34 C 0.0037 0.0002 -0.0090 2440 LEU 34 O 0.0033 0.0002 -0.0097 2441 LEU 34 CB 0.0044 0.0003 -0.0080 2442 LEU 34 CG 0.0050 -0.0001 -0.0076 2443 LEU 34 CD1 0.0049 0.0005 -0.0070 2444 LEU 34 CD2 0.0051 -0.0006 -0.0082 2445 SER 35 N 0.0036 0.0006 -0.0087 2446 SER 35 CA 0.0030 0.0009 -0.0091 2447 SER 35 C 0.0028 0.0006 -0.0098 2448 SER 35 O 0.0023 0.0008 -0.0103 2449 SER 35 CB 0.0028 0.0015 -0.0085 2450 SER 35 OG 0.0028 0.0021 -0.0079 2451 PHE 36 N 0.0034 -0.0000 -0.0098 2452 PHE 36 CA 0.0034 -0.0004 -0.0104 2453 PHE 36 C 0.0040 -0.0013 -0.0106 2454 PHE 36 O 0.0045 -0.0017 -0.0103 2455 PHE 36 CB 0.0035 -0.0003 -0.0100 2456 PHE 36 CG 0.0030 0.0005 -0.0097 2457 PHE 36 CD1 0.0032 0.0009 -0.0088 2458 PHE 36 CD2 0.0022 0.0009 -0.0102 2459 PHE 36 CE1 0.0028 0.0016 -0.0085 2460 PHE 36 CE2 0.0019 0.0015 -0.0098 2461 PHE 36 CZ 0.0022 0.0019 -0.0090 2462 PRO 37 N 0.0054 -0.0018 -0.0148 2463 PRO 37 CA 0.0041 -0.0022 -0.0146 2464 PRO 37 C 0.0037 -0.0028 -0.0132 2465 PRO 37 O 0.0028 -0.0032 -0.0129 2466 PRO 37 CB 0.0034 -0.0023 -0.0153 2467 PRO 37 CG 0.0042 -0.0019 -0.0157 2468 PRO 37 CD 0.0054 -0.0016 -0.0155 2469 THR 38 N 0.0046 -0.0027 -0.0125 2470 THR 38 CA 0.0043 -0.0032 -0.0111 2471 THR 38 C 0.0042 -0.0034 -0.0107 2472 THR 38 O 0.0036 -0.0038 -0.0098 2473 THR 38 CB 0.0053 -0.0031 -0.0104 2474 THR 38 OG1 0.0065 -0.0027 -0.0104 2475 THR 38 CG2 0.0062 -0.0026 -0.0112 2476 THR 39 N 0.0048 -0.0030 -0.0113 2477 THR 39 CA 0.0047 -0.0031 -0.0111 2478 THR 39 C 0.0034 -0.0034 -0.0114 2479 THR 39 O 0.0031 -0.0037 -0.0108 2480 THR 39 CB 0.0055 -0.0026 -0.0118 2481 THR 39 OG1 0.0053 -0.0023 -0.0131 2482 THR 39 CG2 0.0069 -0.0023 -0.0115 2483 LYS 40 N 0.0052 -0.0011 -0.0128 2484 LYS 40 CA 0.0027 -0.0012 -0.0133 2485 LYS 40 C 0.0015 -0.0012 -0.0113 2486 LYS 40 O -0.0004 -0.0013 -0.0114 2487 LYS 40 CB 0.0022 -0.0013 -0.0146 2488 LYS 40 CG 0.0031 -0.0013 -0.0169 2489 LYS 40 CD 0.0028 -0.0013 -0.0175 2490 LYS 40 CE 0.0029 -0.0014 -0.0188 2491 LYS 40 NZ 0.0023 -0.0014 -0.0188 2492 THR 41 N 0.0025 -0.0011 -0.0096 2493 THR 41 CA 0.0013 -0.0011 -0.0074 2494 THR 41 C 0.0007 -0.0011 -0.0070 2495 THR 41 O -0.0009 -0.0011 -0.0055 2496 THR 41 CB 0.0028 -0.0010 -0.0056 2497 THR 41 OG1 0.0044 -0.0009 -0.0052 2498 THR 41 CG2 0.0035 -0.0010 -0.0061 2499 TYR 42 N 0.0011 -0.0011 -0.0077 2500 TYR 42 CA 0.0005 -0.0011 -0.0071 2501 TYR 42 C -0.0014 -0.0012 -0.0086 2502 TYR 42 O -0.0023 -0.0012 -0.0083 2503 TYR 42 CB 0.0022 -0.0011 -0.0075 2504 TYR 42 CG 0.0039 -0.0010 -0.0058 2505 TYR 42 CD1 0.0037 -0.0009 -0.0036 2506 TYR 42 CD2 0.0058 -0.0009 -0.0063 2507 TYR 42 CE1 0.0051 -0.0008 -0.0022 2508 TYR 42 CE2 0.0073 -0.0008 -0.0048 2509 TYR 42 CZ 0.0070 -0.0008 -0.0026 2510 TYR 42 OH 0.0086 -0.0007 -0.0011 2511 PHE 43 N 0.0038 -0.0016 -0.0126 2512 PHE 43 CA 0.0028 -0.0005 -0.0138 2513 PHE 43 C 0.0019 0.0003 -0.0130 2514 PHE 43 O 0.0015 0.0008 -0.0137 2515 PHE 43 CB 0.0035 -0.0011 -0.0153 2516 PHE 43 CG 0.0045 -0.0019 -0.0162 2517 PHE 43 CD1 0.0056 -0.0031 -0.0156 2518 PHE 43 CD2 0.0042 -0.0014 -0.0178 2519 PHE 43 CE1 0.0064 -0.0038 -0.0166 2520 PHE 43 CE2 0.0051 -0.0024 -0.0184 2521 PHE 43 CZ 0.0063 -0.0035 -0.0181 2522 PRO 44 N 0.0013 0.0008 -0.0116 2523 PRO 44 CA 0.0004 0.0016 -0.0108 2524 PRO 44 C -0.0007 0.0028 -0.0118 2525 PRO 44 O -0.0014 0.0035 -0.0116 2526 PRO 44 CB 0.0002 0.0016 -0.0091 2527 PRO 44 CG 0.0005 0.0014 -0.0097 2528 PRO 44 CD 0.0016 0.0004 -0.0109 2529 HIS 45 N -0.0008 0.0030 -0.0128 2530 HIS 45 CA -0.0017 0.0040 -0.0140 2531 HIS 45 C -0.0016 0.0041 -0.0157 2532 HIS 45 O -0.0023 0.0049 -0.0165 2533 HIS 45 CB -0.0018 0.0042 -0.0146 2534 HIS 45 CG -0.0008 0.0033 -0.0153 2535 HIS 45 ND1 0.0003 0.0021 -0.0144 2536 HIS 45 CD2 -0.0006 0.0032 -0.0168 2537 HIS 45 CE1 0.0008 0.0017 -0.0154 2538 HIS 45 NE2 0.0005 0.0022 -0.0169 2539 PHE 46 N 0.0031 -0.0084 -0.0185 2540 PHE 46 CA 0.0031 -0.0087 -0.0191 2541 PHE 46 C 0.0032 -0.0089 -0.0198 2542 PHE 46 O 0.0036 -0.0087 -0.0201 2543 PHE 46 CB 0.0038 -0.0083 -0.0191 2544 PHE 46 CG 0.0035 -0.0082 -0.0186 2545 PHE 46 CD1 0.0038 -0.0081 -0.0188 2546 PHE 46 CD2 0.0031 -0.0082 -0.0179 2547 PHE 46 CE1 0.0037 -0.0080 -0.0182 2548 PHE 46 CE2 0.0030 -0.0081 -0.0177 2549 PHE 46 CZ 0.0034 -0.0079 -0.0176 2550 ASP 47 N 0.0030 -0.0093 -0.0205 2551 ASP 47 CA 0.0033 -0.0094 -0.0213 2552 ASP 47 C 0.0040 -0.0091 -0.0216 2553 ASP 47 O 0.0039 -0.0091 -0.0214 2554 ASP 47 CB 0.0027 -0.0099 -0.0217 2555 ASP 47 CG 0.0030 -0.0101 -0.0226 2556 ASP 47 OD1 0.0035 -0.0098 -0.0227 2557 ASP 47 OD2 0.0025 -0.0106 -0.0230 2558 LEU 48 N 0.0046 -0.0088 -0.0217 2559 LEU 48 CA 0.0053 -0.0085 -0.0218 2560 LEU 48 C 0.0055 -0.0086 -0.0226 2561 LEU 48 O 0.0062 -0.0084 -0.0230 2562 LEU 48 CB 0.0058 -0.0080 -0.0215 2563 LEU 48 CG 0.0058 -0.0077 -0.0207 2564 LEU 48 CD1 0.0062 -0.0073 -0.0203 2565 LEU 48 CD2 0.0056 -0.0076 -0.0201 2566 SER 49 N 0.0037 -0.0096 -0.0286 2567 SER 49 CA 0.0032 -0.0082 -0.0266 2568 SER 49 C 0.0030 -0.0070 -0.0249 2569 SER 49 O 0.0043 -0.0068 -0.0239 2570 SER 49 CB 0.0048 -0.0086 -0.0263 2571 SER 49 OG 0.0070 -0.0096 -0.0264 2572 HIS 50 N 0.0010 -0.0051 -0.0232 2573 HIS 50 CA 0.0007 -0.0035 -0.0209 2574 HIS 50 C 0.0039 -0.0035 -0.0188 2575 HIS 50 O 0.0049 -0.0038 -0.0188 2576 HIS 50 CB -0.0018 -0.0016 -0.0194 2577 HIS 50 CG -0.0020 -0.0004 -0.0177 2578 HIS 50 ND1 -0.0010 0.0011 -0.0148 2579 HIS 50 CD2 -0.0024 0.0004 -0.0168 2580 HIS 50 CE1 -0.0011 0.0021 -0.0132 2581 HIS 50 NE2 -0.0021 0.0019 -0.0141 2582 GLY 51 N 0.0046 -0.0032 -0.0180 2583 GLY 51 CA 0.0070 -0.0032 -0.0164 2584 GLY 51 C 0.0095 -0.0047 -0.0172 2585 GLY 51 O 0.0120 -0.0049 -0.0160 2586 SER 52 N 0.0085 -0.0056 -0.0267 2587 SER 52 CA 0.0077 -0.0068 -0.0250 2588 SER 52 C 0.0083 -0.0069 -0.0241 2589 SER 52 O 0.0098 -0.0062 -0.0235 2590 SER 52 CB 0.0078 -0.0072 -0.0240 2591 SER 52 OG 0.0072 -0.0083 -0.0226 2592 ALA 53 N 0.0075 -0.0075 -0.0237 2593 ALA 53 CA 0.0081 -0.0078 -0.0224 2594 ALA 53 C 0.0090 -0.0081 -0.0206 2595 ALA 53 O 0.0099 -0.0079 -0.0198 2596 ALA 53 CB 0.0070 -0.0083 -0.0228 2597 GLN 54 N 0.0080 -0.0088 -0.0204 2598 GLN 54 CA 0.0086 -0.0093 -0.0185 2599 GLN 54 C 0.0106 -0.0082 -0.0182 2600 GLN 54 O 0.0115 -0.0082 -0.0168 2601 GLN 54 CB 0.0077 -0.0101 -0.0180 2602 GLN 54 CG 0.0062 -0.0112 -0.0178 2603 GLN 54 CD 0.0050 -0.0121 -0.0175 2604 GLN 54 OE1 0.0048 -0.0118 -0.0185 2605 GLN 54 NE2 0.0048 -0.0130 -0.0159 2606 VAL 55 N 0.0122 -0.0073 -0.0174 2607 VAL 55 CA 0.0111 -0.0064 -0.0175 2608 VAL 55 C 0.0125 -0.0050 -0.0160 2609 VAL 55 O 0.0127 -0.0048 -0.0158 2610 VAL 55 CB 0.0089 -0.0054 -0.0180 2611 VAL 55 CG1 0.0081 -0.0042 -0.0177 2612 VAL 55 CG2 0.0078 -0.0069 -0.0194 2613 LYS 56 N 0.0133 -0.0038 -0.0150 2614 LYS 56 CA 0.0145 -0.0025 -0.0136 2615 LYS 56 C 0.0161 -0.0033 -0.0133 2616 LYS 56 O 0.0170 -0.0030 -0.0127 2617 LYS 56 CB 0.0152 -0.0013 -0.0127 2618 LYS 56 CG 0.0132 0.0002 -0.0127 2619 LYS 56 CD 0.0153 0.0024 -0.0105 2620 LYS 56 CE 0.0121 0.0034 -0.0115 2621 LYS 56 NZ 0.0139 0.0042 -0.0102 2622 GLY 57 N 0.0172 -0.0052 -0.0139 2623 GLY 57 CA 0.0190 -0.0064 -0.0136 2624 GLY 57 C 0.0188 -0.0072 -0.0142 2625 GLY 57 O 0.0202 -0.0074 -0.0136 2626 HIS 58 N 0.0185 -0.0085 -0.0164 2627 HIS 58 CA 0.0167 -0.0081 -0.0184 2628 HIS 58 C 0.0143 -0.0063 -0.0165 2629 HIS 58 O 0.0135 -0.0060 -0.0172 2630 HIS 58 CB 0.0159 -0.0085 -0.0210 2631 HIS 58 CG 0.0145 -0.0083 -0.0232 2632 HIS 58 ND1 0.0158 -0.0092 -0.0239 2633 HIS 58 CD2 0.0123 -0.0076 -0.0246 2634 HIS 58 CE1 0.0136 -0.0086 -0.0258 2635 HIS 58 NE2 0.0113 -0.0075 -0.0264 2636 GLY 59 N 0.0134 -0.0054 -0.0154 2637 GLY 59 CA 0.0114 -0.0040 -0.0141 2638 GLY 59 C 0.0116 -0.0034 -0.0118 2639 GLY 59 O 0.0099 -0.0024 -0.0116 2640 LYS 60 N 0.0140 -0.0042 -0.0102 2641 LYS 60 CA 0.0149 -0.0042 -0.0084 2642 LYS 60 C 0.0149 -0.0046 -0.0097 2643 LYS 60 O 0.0141 -0.0039 -0.0089 2644 LYS 60 CB 0.0174 -0.0050 -0.0064 2645 LYS 60 CG 0.0178 -0.0046 -0.0046 2646 LYS 60 CD 0.0198 -0.0049 -0.0018 2647 LYS 60 CE 0.0192 -0.0040 0.0001 2648 LYS 60 NZ 0.0216 -0.0058 -0.0015 2649 LYS 61 N 0.0188 -0.0085 -0.0117 2650 LYS 61 CA 0.0184 -0.0085 -0.0150 2651 LYS 61 C 0.0126 -0.0068 -0.0171 2652 LYS 61 O 0.0112 -0.0064 -0.0175 2653 LYS 61 CB 0.0211 -0.0095 -0.0196 2654 LYS 61 CG 0.0255 -0.0108 -0.0183 2655 LYS 61 CD 0.0287 -0.0120 -0.0219 2656 LYS 61 CE 0.0343 -0.0136 -0.0194 2657 LYS 61 NZ 0.0356 -0.0143 -0.0257 2658 VAL 62 N 0.0106 -0.0062 -0.0181 2659 VAL 62 CA 0.0058 -0.0048 -0.0194 2660 VAL 62 C 0.0022 -0.0036 -0.0161 2661 VAL 62 O -0.0003 -0.0028 -0.0168 2662 VAL 62 CB 0.0045 -0.0045 -0.0210 2663 VAL 62 CG1 -0.0004 -0.0029 -0.0215 2664 VAL 62 CG2 0.0071 -0.0055 -0.0254 2665 ALA 63 N 0.0039 -0.0039 -0.0116 2666 ALA 63 CA 0.0011 -0.0028 -0.0071 2667 ALA 63 C 0.0011 -0.0028 -0.0068 2668 ALA 63 O -0.0016 -0.0019 -0.0058 2669 ALA 63 CB 0.0021 -0.0030 -0.0025 2670 ASP 64 N 0.0020 -0.0044 -0.0034 2671 ASP 64 CA 0.0030 -0.0045 -0.0031 2672 ASP 64 C 0.0019 -0.0048 -0.0056 2673 ASP 64 O 0.0010 -0.0046 -0.0053 2674 ASP 64 CB 0.0066 -0.0052 -0.0026 2675 ASP 64 CG 0.0087 -0.0050 0.0004 2676 ASP 64 OD1 0.0071 -0.0043 0.0022 2677 ASP 64 OD2 0.0109 -0.0057 -0.0005 2678 ALA 65 N 0.0017 -0.0054 -0.0084 2679 ALA 65 CA 0.0003 -0.0057 -0.0110 2680 ALA 65 C -0.0032 -0.0048 -0.0105 2681 ALA 65 O -0.0044 -0.0046 -0.0109 2682 ALA 65 CB 0.0000 -0.0062 -0.0137 2683 LEU 66 N -0.0049 -0.0040 -0.0088 2684 LEU 66 CA -0.0081 -0.0031 -0.0080 2685 LEU 66 C -0.0083 -0.0026 -0.0057 2686 LEU 66 O -0.0102 -0.0022 -0.0057 2687 LEU 66 CB -0.0096 -0.0026 -0.0071 2688 LEU 66 CG -0.0103 -0.0031 -0.0100 2689 LEU 66 CD1 -0.0108 -0.0027 -0.0088 2690 LEU 66 CD2 -0.0127 -0.0030 -0.0120 2691 THR 67 N -0.0091 -0.0043 -0.0027 2692 THR 67 CA -0.0088 -0.0042 -0.0033 2693 THR 67 C -0.0085 -0.0045 -0.0034 2694 THR 67 O -0.0082 -0.0047 -0.0037 2695 THR 67 CB -0.0090 -0.0036 -0.0034 2696 THR 67 OG1 -0.0093 -0.0034 -0.0033 2697 THR 67 CG2 -0.0087 -0.0035 -0.0040 2698 ASN 68 N -0.0087 -0.0044 -0.0032 2699 ASN 68 CA -0.0084 -0.0047 -0.0034 2700 ASN 68 C -0.0082 -0.0053 -0.0032 2701 ASN 68 O -0.0078 -0.0056 -0.0035 2702 ASN 68 CB -0.0087 -0.0045 -0.0032 2703 ASN 68 CG -0.0084 -0.0048 -0.0033 2704 ASN 68 OD1 -0.0081 -0.0049 -0.0036 2705 ASN 68 ND2 -0.0086 -0.0050 -0.0029 2706 ALA 69 N -0.0084 -0.0055 -0.0028 2707 ALA 69 CA -0.0081 -0.0061 -0.0026 2708 ALA 69 C -0.0078 -0.0062 -0.0030 2709 ALA 69 O -0.0075 -0.0067 -0.0030 2710 ALA 69 CB -0.0084 -0.0063 -0.0021 2711 VAL 70 N -0.0121 -0.0066 -0.0038 2712 VAL 70 CA -0.0104 -0.0062 -0.0052 2713 VAL 70 C -0.0088 -0.0061 -0.0060 2714 VAL 70 O -0.0073 -0.0069 -0.0061 2715 VAL 70 CB -0.0112 -0.0047 -0.0061 2716 VAL 70 CG1 -0.0096 -0.0044 -0.0073 2717 VAL 70 CG2 -0.0124 -0.0049 -0.0053 2718 ALA 71 N -0.0094 -0.0055 -0.0063 2719 ALA 71 CA -0.0082 -0.0053 -0.0071 2720 ALA 71 C -0.0071 -0.0067 -0.0063 2721 ALA 71 O -0.0055 -0.0071 -0.0067 2722 ALA 71 CB -0.0092 -0.0043 -0.0076 2723 HIS 72 N -0.0076 -0.0079 -0.0048 2724 HIS 72 CA -0.0070 -0.0094 -0.0037 2725 HIS 72 C -0.0064 -0.0105 -0.0029 2726 HIS 72 O -0.0067 -0.0120 -0.0013 2727 HIS 72 CB -0.0083 -0.0099 -0.0025 2728 HIS 72 CG -0.0086 -0.0089 -0.0033 2729 HIS 72 ND1 -0.0073 -0.0089 -0.0040 2730 HIS 72 CD2 -0.0098 -0.0072 -0.0045 2731 HIS 72 CE1 -0.0081 -0.0079 -0.0046 2732 HIS 72 NE2 -0.0096 -0.0066 -0.0051 2733 VAL 73 N -0.0077 -0.0103 -0.0041 2734 VAL 73 CA -0.0073 -0.0124 -0.0021 2735 VAL 73 C -0.0054 -0.0153 -0.0009 2736 VAL 73 O -0.0059 -0.0169 0.0015 2737 VAL 73 CB -0.0067 -0.0125 -0.0028 2738 VAL 73 CG1 -0.0046 -0.0123 -0.0054 2739 VAL 73 CG2 -0.0075 -0.0139 -0.0001 2740 ASP 74 N -0.0037 -0.0153 -0.0030 2741 ASP 74 CA -0.0018 -0.0180 -0.0019 2742 ASP 74 C -0.0028 -0.0187 0.0001 2743 ASP 74 O -0.0015 -0.0202 0.0002 2744 ASP 74 CB 0.0007 -0.0180 -0.0049 2745 ASP 74 CG 0.0023 -0.0180 -0.0067 2746 ASP 74 OD1 0.0028 -0.0193 -0.0060 2747 ASP 74 OD2 0.0030 -0.0168 -0.0090 2748 ASP 75 N -0.0050 -0.0164 -0.0000 2749 ASP 75 CA -0.0064 -0.0166 0.0018 2750 ASP 75 C -0.0093 -0.0144 0.0026 2751 ASP 75 O -0.0107 -0.0134 0.0031 2752 ASP 75 CB -0.0056 -0.0153 -0.0007 2753 ASP 75 CG -0.0056 -0.0156 -0.0004 2754 ASP 75 OD1 -0.0053 -0.0177 0.0018 2755 ASP 75 OD2 -0.0068 -0.0129 -0.0020 2756 MET 76 N -0.0085 -0.0123 0.0065 2757 MET 76 CA -0.0086 -0.0115 0.0073 2758 MET 76 C -0.0088 -0.0106 0.0079 2759 MET 76 O -0.0092 -0.0098 0.0080 2760 MET 76 CB -0.0079 -0.0123 0.0080 2761 MET 76 CG -0.0078 -0.0129 0.0073 2762 MET 76 SD -0.0071 -0.0135 0.0086 2763 MET 76 CE -0.0065 -0.0143 0.0089 2764 PRO 77 N -0.0086 -0.0108 0.0083 2765 PRO 77 CA -0.0089 -0.0097 0.0088 2766 PRO 77 C -0.0096 -0.0087 0.0084 2767 PRO 77 O -0.0099 -0.0078 0.0089 2768 PRO 77 CB -0.0085 -0.0102 0.0092 2769 PRO 77 CG -0.0080 -0.0113 0.0090 2770 PRO 77 CD -0.0082 -0.0116 0.0081 2771 ASN 78 N -0.0100 -0.0088 0.0073 2772 ASN 78 CA -0.0107 -0.0080 0.0066 2773 ASN 78 C -0.0110 -0.0075 0.0065 2774 ASN 78 O -0.0114 -0.0066 0.0066 2775 ASN 78 CB -0.0110 -0.0082 0.0056 2776 ASN 78 CG -0.0118 -0.0070 0.0049 2777 ASN 78 OD1 -0.0120 -0.0062 0.0055 2778 ASN 78 ND2 -0.0122 -0.0070 0.0040 2779 ALA 79 N -0.0087 -0.0090 0.0064 2780 ALA 79 CA -0.0071 -0.0092 0.0082 2781 ALA 79 C -0.0044 -0.0082 0.0095 2782 ALA 79 O -0.0027 -0.0078 0.0105 2783 ALA 79 CB -0.0077 -0.0114 0.0106 2784 LEU 80 N -0.0045 -0.0084 0.0096 2785 LEU 80 CA -0.0020 -0.0075 0.0108 2786 LEU 80 C -0.0011 -0.0054 0.0087 2787 LEU 80 O 0.0007 -0.0047 0.0095 2788 LEU 80 CB -0.0024 -0.0087 0.0120 2789 LEU 80 CG -0.0035 -0.0111 0.0142 2790 LEU 80 CD1 -0.0037 -0.0121 0.0155 2791 LEU 80 CD2 -0.0018 -0.0109 0.0156 2792 SER 81 N -0.0020 -0.0044 0.0065 2793 SER 81 CA -0.0012 -0.0024 0.0045 2794 SER 81 C 0.0016 -0.0010 0.0052 2795 SER 81 O 0.0026 0.0000 0.0048 2796 SER 81 CB -0.0026 -0.0019 0.0025 2797 SER 81 OG -0.0024 -0.0003 0.0005 2798 ALA 82 N 0.0144 0.0012 0.0070 2799 ALA 82 CA 0.0177 0.0027 0.0072 2800 ALA 82 C 0.0179 0.0027 0.0093 2801 ALA 82 O 0.0197 0.0034 0.0094 2802 ALA 82 CB 0.0204 0.0038 0.0085 2803 LEU 83 N 0.0155 0.0014 0.0131 2804 LEU 83 CA 0.0159 0.0015 0.0153 2805 LEU 83 C 0.0134 0.0005 0.0135 2806 LEU 83 O 0.0146 0.0010 0.0141 2807 LEU 83 CB 0.0134 0.0002 0.0186 2808 LEU 83 CG 0.0161 0.0012 0.0218 2809 LEU 83 CD1 0.0136 -0.0000 0.0253 2810 LEU 83 CD2 0.0194 0.0026 0.0225 2811 SER 84 N 0.0110 -0.0004 0.0112 2812 SER 84 CA 0.0094 -0.0010 0.0090 2813 SER 84 C 0.0116 0.0001 0.0063 2814 SER 84 O 0.0119 0.0002 0.0056 2815 SER 84 CB 0.0059 -0.0023 0.0057 2816 SER 84 OG 0.0049 -0.0029 0.0077 2817 ASP 85 N 0.0171 0.0018 0.0036 2818 ASP 85 CA 0.0204 0.0024 0.0007 2819 ASP 85 C 0.0230 0.0031 0.0023 2820 ASP 85 O 0.0238 0.0032 0.0005 2821 ASP 85 CB 0.0230 0.0030 -0.0007 2822 ASP 85 CG 0.0209 0.0023 -0.0039 2823 ASP 85 OD1 0.0181 0.0015 -0.0057 2824 ASP 85 OD2 0.0234 0.0029 -0.0040 2825 LEU 86 N 0.0240 0.0036 0.0068 2826 LEU 86 CA 0.0267 0.0044 0.0088 2827 LEU 86 C 0.0254 0.0041 0.0092 2828 LEU 86 O 0.0267 0.0044 0.0084 2829 LEU 86 CB 0.0280 0.0050 0.0133 2830 LEU 86 CG 0.0317 0.0059 0.0158 2831 LEU 86 CD1 0.0358 0.0068 0.0131 2832 LEU 86 CD2 0.0322 0.0063 0.0201 2833 HIS 87 N 0.0211 0.0032 0.0106 2834 HIS 87 CA 0.0192 0.0028 0.0119 2835 HIS 87 C 0.0176 0.0021 0.0070 2836 HIS 87 O 0.0184 0.0023 0.0071 2837 HIS 87 CB 0.0148 0.0019 0.0147 2838 HIS 87 CG 0.0160 0.0024 0.0193 2839 HIS 87 ND1 0.0174 0.0029 0.0205 2840 HIS 87 CD2 0.0165 0.0028 0.0232 2841 HIS 87 CE1 0.0184 0.0034 0.0251 2842 HIS 87 NE2 0.0176 0.0032 0.0263 2843 ALA 88 N 0.0157 0.0028 0.0068 2844 ALA 88 CA 0.0144 0.0011 0.0029 2845 ALA 88 C 0.0174 0.0004 0.0003 2846 ALA 88 O 0.0157 -0.0008 -0.0021 2847 ALA 88 CB 0.0133 -0.0002 0.0003 2848 HIS 89 N 0.0217 0.0010 0.0001 2849 HIS 89 CA 0.0256 0.0005 -0.0024 2850 HIS 89 C 0.0279 0.0016 -0.0005 2851 HIS 89 O 0.0295 0.0008 -0.0032 2852 HIS 89 CB 0.0280 -0.0001 -0.0049 2853 HIS 89 CG 0.0246 -0.0016 -0.0073 2854 HIS 89 ND1 0.0217 -0.0032 -0.0101 2855 HIS 89 CD2 0.0248 -0.0013 -0.0066 2856 HIS 89 CE1 0.0201 -0.0035 -0.0102 2857 HIS 89 NE2 0.0213 -0.0028 -0.0091 2858 LYS 90 N 0.0281 0.0032 0.0032 2859 LYS 90 CA 0.0309 0.0044 0.0053 2860 LYS 90 C 0.0282 0.0052 0.0080 2861 LYS 90 O 0.0280 0.0048 0.0073 2862 LYS 90 CB 0.0350 0.0057 0.0070 2863 LYS 90 CG 0.0366 0.0069 0.0092 2864 LYS 90 CD 0.0410 0.0084 0.0114 2865 LYS 90 CE 0.0443 0.0093 0.0124 2866 LYS 90 NZ 0.0498 0.0092 0.0102 2867 LEU 91 N 0.0187 0.0015 0.0085 2868 LEU 91 CA 0.0173 0.0021 0.0096 2869 LEU 91 C 0.0153 0.0014 0.0085 2870 LEU 91 O 0.0145 0.0015 0.0087 2871 LEU 91 CB 0.0171 0.0032 0.0113 2872 LEU 91 CG 0.0190 0.0037 0.0120 2873 LEU 91 CD1 0.0184 0.0048 0.0138 2874 LEU 91 CD2 0.0199 0.0042 0.0127 2875 ARG 92 N 0.0143 0.0009 0.0077 2876 ARG 92 CA 0.0126 0.0001 0.0065 2877 ARG 92 C 0.0106 0.0007 0.0074 2878 ARG 92 O 0.0096 0.0004 0.0070 2879 ARG 92 CB 0.0133 -0.0009 0.0049 2880 ARG 92 CG 0.0144 -0.0017 0.0036 2881 ARG 92 CD 0.0155 -0.0027 0.0021 2882 ARG 92 NE 0.0156 -0.0033 0.0011 2883 ARG 92 CZ 0.0187 -0.0040 -0.0002 2884 ARG 92 NH1 0.0195 -0.0025 0.0022 2885 ARG 92 NH2 0.0180 -0.0043 -0.0005 2886 VAL 93 N 0.0102 0.0018 0.0091 2887 VAL 93 CA 0.0084 0.0025 0.0103 2888 VAL 93 C 0.0064 0.0019 0.0095 2889 VAL 93 O 0.0061 0.0017 0.0091 2890 VAL 93 CB 0.0087 0.0037 0.0121 2891 VAL 93 CG1 0.0068 0.0044 0.0133 2892 VAL 93 CG2 0.0108 0.0042 0.0128 2893 ASP 94 N 0.0033 -0.0022 0.0056 2894 ASP 94 CA 0.0034 -0.0014 0.0055 2895 ASP 94 C 0.0035 -0.0007 0.0058 2896 ASP 94 O 0.0035 -0.0007 0.0056 2897 ASP 94 CB 0.0035 -0.0012 0.0045 2898 ASP 94 CG 0.0035 -0.0004 0.0043 2899 ASP 94 OD1 0.0035 -0.0004 0.0043 2900 ASP 94 OD2 0.0036 0.0004 0.0044 2901 PRO 95 N 0.0035 -0.0001 0.0063 2902 PRO 95 CA 0.0035 0.0007 0.0067 2903 PRO 95 C 0.0036 0.0011 0.0061 2904 PRO 95 O 0.0036 0.0014 0.0064 2905 PRO 95 CB 0.0036 0.0013 0.0071 2906 PRO 95 CG 0.0035 0.0007 0.0072 2907 PRO 95 CD 0.0035 0.0001 0.0065 2908 VAL 96 N 0.0036 0.0012 0.0052 2909 VAL 96 CA 0.0037 0.0016 0.0046 2910 VAL 96 C 0.0037 0.0012 0.0046 2911 VAL 96 O 0.0037 0.0016 0.0045 2912 VAL 96 CB 0.0037 0.0016 0.0037 2913 VAL 96 CG1 0.0038 0.0020 0.0038 2914 VAL 96 CG2 0.0037 0.0009 0.0031 2915 ASN 97 N 0.0047 0.0010 0.0024 2916 ASN 97 CA 0.0044 -0.0013 0.0020 2917 ASN 97 C 0.0037 -0.0012 0.0039 2918 ASN 97 O 0.0036 -0.0028 0.0032 2919 ASN 97 CB 0.0040 -0.0038 0.0020 2920 ASN 97 CG 0.0049 -0.0044 -0.0004 2921 ASN 97 OD1 0.0060 -0.0048 -0.0030 2922 ASN 97 ND2 0.0048 -0.0038 0.0002 2923 PHE 98 N 0.0029 0.0001 0.0062 2924 PHE 98 CA 0.0020 0.0004 0.0084 2925 PHE 98 C 0.0028 0.0019 0.0072 2926 PHE 98 O 0.0023 0.0009 0.0078 2927 PHE 98 CB 0.0010 0.0016 0.0112 2928 PHE 98 CG 0.0001 -0.0004 0.0125 2929 PHE 98 CD1 -0.0011 -0.0024 0.0143 2930 PHE 98 CD2 0.0004 -0.0005 0.0116 2931 PHE 98 CE1 -0.0020 -0.0044 0.0155 2932 PHE 98 CE2 -0.0006 -0.0027 0.0132 2933 PHE 98 CZ -0.0018 -0.0046 0.0151 2934 LYS 99 N 0.0038 0.0040 0.0057 2935 LYS 99 CA 0.0046 0.0055 0.0045 2936 LYS 99 C 0.0050 0.0037 0.0028 2937 LYS 99 O 0.0053 0.0040 0.0023 2938 LYS 99 CB 0.0056 0.0087 0.0034 2939 LYS 99 CG 0.0063 0.0090 0.0021 2940 LYS 99 CD 0.0075 0.0125 0.0007 2941 LYS 99 CE 0.0090 0.0105 -0.0036 2942 LYS 99 NZ 0.0102 0.0119 -0.0058 2943 LEU 100 N 0.0020 0.0012 -0.0063 2944 LEU 100 CA 0.0029 0.0002 -0.0063 2945 LEU 100 C 0.0023 -0.0007 -0.0058 2946 LEU 100 O 0.0025 -0.0016 -0.0056 2947 LEU 100 CB 0.0039 0.0005 -0.0066 2948 LEU 100 CG 0.0043 0.0015 -0.0070 2949 LEU 100 CD1 0.0053 0.0016 -0.0073 2950 LEU 100 CD2 0.0046 0.0014 -0.0071 2951 LEU 101 N 0.0017 -0.0006 -0.0057 2952 LEU 101 CA 0.0013 -0.0016 -0.0053 2953 LEU 101 C 0.0004 -0.0019 -0.0050 2954 LEU 101 O 0.0003 -0.0028 -0.0047 2955 LEU 101 CB 0.0007 -0.0013 -0.0052 2956 LEU 101 CG 0.0002 -0.0022 -0.0048 2957 LEU 101 CD1 0.0009 -0.0032 -0.0047 2958 LEU 101 CD2 -0.0002 -0.0019 -0.0048 2959 SER 102 N -0.0002 -0.0011 -0.0050 2960 SER 102 CA -0.0011 -0.0013 -0.0047 2961 SER 102 C -0.0005 -0.0020 -0.0047 2962 SER 102 O -0.0011 -0.0028 -0.0043 2963 SER 102 CB -0.0016 -0.0003 -0.0049 2964 SER 102 OG -0.0022 0.0003 -0.0048 2965 HIS 103 N -0.0015 0.0025 -0.0033 2966 HIS 103 CA -0.0009 0.0018 -0.0034 2967 HIS 103 C -0.0011 0.0015 -0.0037 2968 HIS 103 O -0.0010 0.0007 -0.0040 2969 HIS 103 CB -0.0002 0.0021 -0.0030 2970 HIS 103 CG 0.0005 0.0015 -0.0030 2971 HIS 103 ND1 0.0009 0.0015 -0.0028 2972 HIS 103 CD2 0.0008 0.0009 -0.0032 2973 HIS 103 CE1 0.0015 0.0009 -0.0029 2974 HIS 103 NE2 0.0015 0.0005 -0.0031 2975 CYS 104 N -0.0013 0.0018 -0.0036 2976 CYS 104 CA -0.0015 0.0014 -0.0039 2977 CYS 104 C -0.0022 0.0010 -0.0044 2978 CYS 104 O -0.0022 0.0004 -0.0047 2979 CYS 104 CB -0.0016 0.0019 -0.0037 2980 CYS 104 SG -0.0006 0.0022 -0.0031 2981 LEU 105 N -0.0028 0.0013 -0.0045 2982 LEU 105 CA -0.0033 0.0009 -0.0049 2983 LEU 105 C -0.0030 0.0002 -0.0051 2984 LEU 105 O -0.0033 -0.0004 -0.0056 2985 LEU 105 CB -0.0040 0.0014 -0.0049 2986 LEU 105 CG -0.0048 0.0013 -0.0053 2987 LEU 105 CD1 -0.0052 0.0017 -0.0053 2988 LEU 105 CD2 -0.0051 0.0024 -0.0049 2989 LEU 106 N -0.0054 0.0020 -0.0009 2990 LEU 106 CA -0.0054 0.0015 -0.0008 2991 LEU 106 C -0.0054 0.0014 -0.0005 2992 LEU 106 O -0.0054 0.0012 -0.0006 2993 LEU 106 CB -0.0055 0.0011 -0.0008 2994 LEU 106 CG -0.0056 0.0009 -0.0012 2995 LEU 106 CD1 -0.0056 0.0006 -0.0010 2996 LEU 106 CD2 -0.0057 0.0008 -0.0017 2997 VAL 107 N -0.0052 0.0016 -0.0001 2998 VAL 107 CA -0.0052 0.0016 0.0003 2999 VAL 107 C -0.0052 0.0018 0.0002 3000 VAL 107 O -0.0052 0.0016 0.0002 3001 VAL 107 CB -0.0050 0.0018 0.0008 3002 VAL 107 CG1 -0.0050 0.0019 0.0011 3003 VAL 107 CG2 -0.0051 0.0015 0.0010 3004 THR 108 N -0.0052 0.0022 -0.0001 3005 THR 108 CA -0.0051 0.0025 -0.0002 3006 THR 108 C -0.0053 0.0022 -0.0006 3007 THR 108 O -0.0053 0.0022 -0.0006 3008 THR 108 CB -0.0051 0.0030 -0.0005 3009 THR 108 OG1 -0.0050 0.0032 -0.0001 3010 THR 108 CG2 -0.0051 0.0033 -0.0006 3011 LEU 109 N -0.0069 0.0027 0.0008 3012 LEU 109 CA -0.0074 0.0025 0.0009 3013 LEU 109 C -0.0077 0.0023 0.0016 3014 LEU 109 O -0.0079 0.0022 0.0020 3015 LEU 109 CB -0.0077 0.0024 0.0002 3016 LEU 109 CG -0.0073 0.0027 -0.0005 3017 LEU 109 CD1 -0.0077 0.0026 -0.0012 3018 LEU 109 CD2 -0.0069 0.0028 -0.0002 3019 ALA 110 N -0.0082 0.0021 0.0015 3020 ALA 110 CA -0.0087 0.0019 0.0021 3021 ALA 110 C -0.0084 0.0019 0.0028 3022 ALA 110 O -0.0087 0.0017 0.0034 3023 ALA 110 CB -0.0090 0.0018 0.0019 3024 ALA 111 N -0.0077 0.0022 0.0029 3025 ALA 111 CA -0.0072 0.0023 0.0036 3026 ALA 111 C -0.0071 0.0023 0.0040 3027 ALA 111 O -0.0068 0.0023 0.0046 3028 ALA 111 CB -0.0066 0.0025 0.0035 3029 HIS 112 N -0.0076 0.0018 0.0032 3030 HIS 112 CA -0.0078 0.0016 0.0033 3031 HIS 112 C -0.0088 0.0011 0.0033 3032 HIS 112 O -0.0090 0.0008 0.0035 3033 HIS 112 CB -0.0075 0.0023 0.0028 3034 HIS 112 CG -0.0066 0.0025 0.0031 3035 HIS 112 ND1 -0.0058 0.0033 0.0027 3036 HIS 112 CD2 -0.0059 0.0024 0.0036 3037 HIS 112 CE1 -0.0050 0.0034 0.0031 3038 HIS 112 NE2 -0.0050 0.0029 0.0036 3039 LEU 113 N -0.0095 0.0010 0.0029 3040 LEU 113 CA -0.0105 0.0006 0.0027 3041 LEU 113 C -0.0108 0.0000 0.0032 3042 LEU 113 O -0.0115 0.0001 0.0026 3043 LEU 113 CB -0.0109 0.0011 0.0019 3044 LEU 113 CG -0.0107 0.0016 0.0016 3045 LEU 113 CD1 -0.0114 0.0020 0.0006 3046 LEU 113 CD2 -0.0106 0.0014 0.0018 3047 PRO 114 N -0.0106 -0.0005 0.0039 3048 PRO 114 CA -0.0107 -0.0012 0.0045 3049 PRO 114 C -0.0121 -0.0016 0.0042 3050 PRO 114 O -0.0125 -0.0013 0.0036 3051 PRO 114 CB -0.0100 -0.0014 0.0051 3052 PRO 114 CG -0.0103 -0.0016 0.0052 3053 PRO 114 CD -0.0100 -0.0007 0.0044 3054 ALA 115 N -0.0108 -0.0026 0.0009 3055 ALA 115 CA -0.0114 -0.0029 0.0006 3056 ALA 115 C -0.0117 -0.0023 0.0005 3057 ALA 115 O -0.0120 -0.0025 0.0003 3058 ALA 115 CB -0.0120 -0.0037 0.0002 3059 GLU 116 N -0.0120 -0.0015 0.0004 3060 GLU 116 CA -0.0126 -0.0008 0.0001 3061 GLU 116 C -0.0121 -0.0001 0.0004 3062 GLU 116 O -0.0125 0.0001 0.0002 3063 GLU 116 CB -0.0129 -0.0001 0.0000 3064 GLU 116 CG -0.0128 -0.0008 0.0000 3065 GLU 116 CD -0.0136 -0.0012 -0.0003 3066 GLU 116 OE1 -0.0140 -0.0013 -0.0005 3067 GLU 116 OE2 -0.0134 -0.0018 -0.0003 3068 PHE 117 N -0.0113 -0.0000 0.0007 3069 PHE 117 CA -0.0108 0.0006 0.0010 3070 PHE 117 C -0.0104 0.0002 0.0012 3071 PHE 117 O -0.0097 0.0001 0.0015 3072 PHE 117 CB -0.0101 0.0009 0.0014 3073 PHE 117 CG -0.0097 0.0018 0.0016 3074 PHE 117 CD1 -0.0102 0.0027 0.0014 3075 PHE 117 CD2 -0.0089 0.0019 0.0020 3076 PHE 117 CE1 -0.0097 0.0036 0.0017 3077 PHE 117 CE2 -0.0085 0.0027 0.0022 3078 PHE 117 CZ -0.0090 0.0035 0.0020 3079 THR 118 N -0.0075 0.0005 -0.0002 3080 THR 118 CA -0.0072 0.0006 -0.0003 3081 THR 118 C -0.0071 0.0002 0.0002 3082 THR 118 O -0.0074 -0.0001 0.0005 3083 THR 118 CB -0.0064 0.0008 -0.0001 3084 THR 118 OG1 -0.0064 0.0011 -0.0005 3085 THR 118 CG2 -0.0062 0.0005 0.0003 3086 PRO 119 N -0.0069 0.0003 0.0002 3087 PRO 119 CA -0.0068 -0.0000 0.0006 3088 PRO 119 C -0.0066 -0.0003 0.0011 3089 PRO 119 O -0.0068 -0.0008 0.0015 3090 PRO 119 CB -0.0065 0.0002 0.0005 3091 PRO 119 CG -0.0067 0.0007 -0.0001 3092 PRO 119 CD -0.0067 0.0008 -0.0003 3093 ALA 120 N -0.0060 -0.0002 0.0011 3094 ALA 120 CA -0.0057 -0.0004 0.0016 3095 ALA 120 C -0.0061 -0.0007 0.0018 3096 ALA 120 O -0.0060 -0.0012 0.0023 3097 ALA 120 CB -0.0050 -0.0002 0.0016 3098 VAL 121 N -0.0061 -0.0028 -0.0002 3099 VAL 121 CA -0.0068 -0.0024 -0.0003 3100 VAL 121 C -0.0069 -0.0020 0.0005 3101 VAL 121 O -0.0072 -0.0017 0.0007 3102 VAL 121 CB -0.0071 -0.0024 -0.0009 3103 VAL 121 CG1 -0.0078 -0.0019 -0.0008 3104 VAL 121 CG2 -0.0070 -0.0026 -0.0015 3105 HIS 122 N -0.0065 -0.0022 0.0007 3106 HIS 122 CA -0.0066 -0.0019 0.0014 3107 HIS 122 C -0.0065 -0.0018 0.0019 3108 HIS 122 O -0.0068 -0.0014 0.0023 3109 HIS 122 CB -0.0062 -0.0021 0.0015 3110 HIS 122 CG -0.0060 -0.0020 0.0021 3111 HIS 122 ND1 -0.0057 -0.0022 0.0023 3112 HIS 122 CD2 -0.0063 -0.0016 0.0027 3113 HIS 122 CE1 -0.0057 -0.0019 0.0029 3114 HIS 122 NE2 -0.0061 -0.0015 0.0032 3115 ALA 123 N -0.0060 -0.0021 0.0019 3116 ALA 123 CA -0.0059 -0.0020 0.0025 3117 ALA 123 C -0.0063 -0.0017 0.0024 3118 ALA 123 O -0.0066 -0.0014 0.0029 3119 ALA 123 CB -0.0052 -0.0024 0.0024 3120 SER 124 N -0.0047 -0.0055 0.0002 3121 SER 124 CA -0.0050 -0.0053 -0.0001 3122 SER 124 C -0.0054 -0.0047 0.0001 3123 SER 124 O -0.0055 -0.0045 0.0002 3124 SER 124 CB -0.0049 -0.0053 -0.0008 3125 SER 124 OG -0.0046 -0.0058 -0.0011 3126 LEU 125 N -0.0056 -0.0045 0.0001 3127 LEU 125 CA -0.0060 -0.0040 0.0003 3128 LEU 125 C -0.0060 -0.0039 0.0009 3129 LEU 125 O -0.0063 -0.0036 0.0011 3130 LEU 125 CB -0.0061 -0.0038 0.0002 3131 LEU 125 CG -0.0062 -0.0036 -0.0005 3132 LEU 125 CD1 -0.0063 -0.0036 -0.0006 3133 LEU 125 CD2 -0.0066 -0.0032 -0.0008 3134 ASP 126 N -0.0058 -0.0042 0.0013 3135 ASP 126 CA -0.0058 -0.0042 0.0020 3136 ASP 126 C -0.0057 -0.0043 0.0020 3137 ASP 126 O -0.0059 -0.0040 0.0024 3138 ASP 126 CB -0.0055 -0.0046 0.0024 3139 ASP 126 CG -0.0056 -0.0045 0.0031 3140 ASP 126 OD1 -0.0059 -0.0041 0.0032 3141 ASP 126 OD2 -0.0053 -0.0048 0.0034 3142 LYS 127 N -0.0026 -0.0087 0.0039 3143 LYS 127 CA -0.0026 -0.0085 0.0044 3144 LYS 127 C -0.0040 -0.0077 0.0039 3145 LYS 127 O -0.0044 -0.0070 0.0049 3146 LYS 127 CB -0.0020 -0.0093 0.0036 3147 LYS 127 CG -0.0008 -0.0100 0.0042 3148 LYS 127 CD -0.0000 -0.0108 0.0034 3149 LYS 127 CE -0.0003 -0.0105 0.0036 3150 LYS 127 NZ 0.0005 -0.0113 0.0030 3151 PHE 128 N -0.0045 -0.0077 0.0028 3152 PHE 128 CA -0.0057 -0.0070 0.0024 3153 PHE 128 C -0.0065 -0.0060 0.0034 3154 PHE 128 O -0.0073 -0.0053 0.0038 3155 PHE 128 CB -0.0063 -0.0070 0.0009 3156 PHE 128 CG -0.0077 -0.0061 0.0004 3157 PHE 128 CD1 -0.0081 -0.0059 0.0002 3158 PHE 128 CD2 -0.0080 -0.0059 0.0003 3159 PHE 128 CE1 -0.0093 -0.0051 -0.0002 3160 PHE 128 CE2 -0.0094 -0.0050 -0.0000 3161 PHE 128 CZ -0.0099 -0.0048 -0.0003 3162 LEU 129 N -0.0063 -0.0060 0.0036 3163 LEU 129 CA -0.0071 -0.0051 0.0046 3164 LEU 129 C -0.0068 -0.0049 0.0060 3165 LEU 129 O -0.0075 -0.0040 0.0068 3166 LEU 129 CB -0.0069 -0.0052 0.0047 3167 LEU 129 CG -0.0074 -0.0053 0.0034 3168 LEU 129 CD1 -0.0071 -0.0056 0.0033 3169 LEU 129 CD2 -0.0087 -0.0045 0.0030 3170 ALA 130 N -0.0062 -0.0076 0.0090 3171 ALA 130 CA -0.0061 -0.0079 0.0095 3172 ALA 130 C -0.0059 -0.0082 0.0100 3173 ALA 130 O -0.0061 -0.0087 0.0105 3174 ALA 130 CB -0.0057 -0.0078 0.0096 3175 SER 131 N -0.0054 -0.0080 0.0100 3176 SER 131 CA -0.0051 -0.0084 0.0105 3177 SER 131 C -0.0057 -0.0086 0.0105 3178 SER 131 O -0.0057 -0.0090 0.0110 3179 SER 131 CB -0.0045 -0.0080 0.0104 3180 SER 131 OG -0.0041 -0.0078 0.0104 3181 VAL 132 N -0.0060 -0.0083 0.0101 3182 VAL 132 CA -0.0065 -0.0086 0.0101 3183 VAL 132 C -0.0070 -0.0090 0.0104 3184 VAL 132 O -0.0072 -0.0094 0.0108 3185 VAL 132 CB -0.0068 -0.0083 0.0096 3186 VAL 132 CG1 -0.0075 -0.0086 0.0096 3187 VAL 132 CG2 -0.0064 -0.0079 0.0094 3188 SER 133 N -0.0063 -0.0050 0.0132 3189 SER 133 CA -0.0067 -0.0054 0.0134 3190 SER 133 C -0.0066 -0.0062 0.0129 3191 SER 133 O -0.0065 -0.0063 0.0128 3192 SER 133 CB -0.0076 -0.0056 0.0139 3193 SER 133 OG -0.0076 -0.0047 0.0143 3194 THR 134 N -0.0065 -0.0067 0.0126 3195 THR 134 CA -0.0063 -0.0075 0.0121 3196 THR 134 C -0.0056 -0.0074 0.0117 3197 THR 134 O -0.0055 -0.0078 0.0114 3198 THR 134 CB -0.0064 -0.0080 0.0120 3199 THR 134 OG1 -0.0071 -0.0082 0.0124 3200 THR 134 CG2 -0.0062 -0.0088 0.0114 3201 VAL 135 N -0.0051 -0.0069 0.0116 3202 VAL 135 CA -0.0043 -0.0067 0.0111 3203 VAL 135 C -0.0045 -0.0065 0.0113 3204 VAL 135 O -0.0041 -0.0067 0.0109 3205 VAL 135 CB -0.0037 -0.0061 0.0109 3206 VAL 135 CG1 -0.0030 -0.0058 0.0105 3207 VAL 135 CG2 -0.0037 -0.0065 0.0107 3208 LEU 136 N -0.0014 -0.0049 0.0130 3209 LEU 136 CA 0.0010 -0.0041 0.0129 3210 LEU 136 C 0.0012 -0.0039 0.0110 3211 LEU 136 O 0.0033 -0.0032 0.0104 3212 LEU 136 CB 0.0016 -0.0042 0.0154 3213 LEU 136 CG 0.0018 -0.0043 0.0171 3214 LEU 136 CD1 0.0031 -0.0040 0.0193 3215 LEU 136 CD2 0.0035 -0.0036 0.0162 3216 THR 137 N -0.0008 -0.0045 0.0104 3217 THR 137 CA -0.0005 -0.0043 0.0090 3218 THR 137 C -0.0016 -0.0043 0.0060 3219 THR 137 O -0.0015 -0.0042 0.0048 3220 THR 137 CB -0.0021 -0.0049 0.0101 3221 THR 137 OG1 -0.0041 -0.0055 0.0101 3222 THR 137 CG2 -0.0005 -0.0046 0.0122 3223 SER 138 N -0.0024 -0.0046 0.0057 3224 SER 138 CA -0.0034 -0.0047 0.0034 3225 SER 138 C -0.0018 -0.0039 0.0010 3226 SER 138 O -0.0031 -0.0042 -0.0007 3227 SER 138 CB -0.0030 -0.0046 0.0038 3228 SER 138 OG -0.0049 -0.0052 0.0037 3229 LYS 139 N 0.0029 -0.0042 -0.0012 3230 LYS 139 CA 0.0039 -0.0035 -0.0029 3231 LYS 139 C 0.0045 -0.0030 -0.0023 3232 LYS 139 O 0.0056 -0.0021 -0.0032 3233 LYS 139 CB 0.0051 -0.0025 -0.0028 3234 LYS 139 CG 0.0042 -0.0032 -0.0040 3235 LYS 139 CD 0.0053 -0.0024 -0.0038 3236 LYS 139 CE 0.0046 -0.0029 -0.0054 3237 LYS 139 NZ 0.0060 -0.0018 -0.0040 3238 TYR 140 N 0.0040 -0.0034 -0.0009 3239 TYR 140 CA 0.0046 -0.0029 -0.0004 3240 TYR 140 C 0.0045 -0.0030 -0.0018 3241 TYR 140 O 0.0056 -0.0021 -0.0016 3242 TYR 140 CB 0.0038 -0.0036 0.0015 3243 TYR 140 CG 0.0045 -0.0030 0.0034 3244 TYR 140 CD1 0.0048 -0.0028 0.0047 3245 TYR 140 CD2 0.0049 -0.0027 0.0038 3246 TYR 140 CE1 0.0054 -0.0023 0.0064 3247 TYR 140 CE2 0.0056 -0.0022 0.0054 3248 TYR 140 CZ 0.0058 -0.0020 0.0068 3249 TYR 140 OH 0.0065 -0.0015 0.0084 3250 ARG 141 N 0.0033 -0.0039 -0.0029 3251 ARG 141 CA 0.0031 -0.0041 -0.0043 3252 ARG 141 C 0.0023 -0.0047 -0.0063 3253 ARG 141 O 0.0017 -0.0052 -0.0058 3254 ARG 141 CB 0.0026 -0.0045 -0.0035 3255 ARG 141 CG 0.0010 -0.0057 -0.0028 3256 ARG 141 CD 0.0008 -0.0059 -0.0021 3257 ARG 141 NE -0.0008 -0.0071 -0.0013 3258 ARG 141 CZ -0.0017 -0.0078 -0.0012 3259 ARG 141 NH1 -0.0012 -0.0074 -0.0012 3260 ARG 141 NH2 -0.0030 -0.0088 -0.0002 3261 ARG 141 OXT 0.0023 -0.0047 -0.0075 3262 VAL 1 N 0.0001 0.0061 0.0043 3263 VAL 1 CA -0.0005 0.0045 0.0058 3264 VAL 1 C -0.0019 0.0030 0.0042 3265 VAL 1 O -0.0016 0.0039 0.0028 3266 VAL 1 CB -0.0002 0.0046 0.0069 3267 VAL 1 CG1 0.0008 0.0056 0.0087 3268 VAL 1 CG2 0.0001 0.0054 0.0062 3269 HIS 2 N -0.0021 0.0022 0.0055 3270 HIS 2 CA -0.0030 0.0009 0.0050 3271 HIS 2 C -0.0033 0.0005 0.0049 3272 HIS 2 O -0.0036 -0.0006 0.0066 3273 HIS 2 CB -0.0041 -0.0007 0.0044 3274 HIS 2 CG -0.0047 -0.0013 0.0034 3275 HIS 2 ND1 -0.0055 -0.0032 0.0056 3276 HIS 2 CD2 -0.0056 -0.0020 0.0015 3277 HIS 2 CE1 -0.0065 -0.0044 0.0044 3278 HIS 2 NE2 -0.0062 -0.0032 0.0023 3279 LEU 3 N -0.0034 0.0008 0.0032 3280 LEU 3 CA -0.0033 0.0009 0.0037 3281 LEU 3 C -0.0045 -0.0009 0.0031 3282 LEU 3 O -0.0047 -0.0004 0.0008 3283 LEU 3 CB -0.0027 0.0020 0.0031 3284 LEU 3 CG -0.0017 0.0031 0.0047 3285 LEU 3 CD1 -0.0010 0.0042 0.0044 3286 LEU 3 CD2 -0.0016 0.0026 0.0063 3287 THR 4 N -0.0065 -0.0045 0.0016 3288 THR 4 CA -0.0071 -0.0082 -0.0003 3289 THR 4 C -0.0067 -0.0079 -0.0034 3290 THR 4 O -0.0060 -0.0037 -0.0009 3291 THR 4 CB -0.0087 -0.0135 0.0037 3292 THR 4 OG1 -0.0087 -0.0123 0.0063 3293 THR 4 CG2 -0.0091 -0.0146 0.0054 3294 PRO 5 N -0.0068 -0.0095 -0.0064 3295 PRO 5 CA -0.0059 -0.0062 -0.0077 3296 PRO 5 C -0.0065 -0.0076 -0.0045 3297 PRO 5 O -0.0061 -0.0055 -0.0038 3298 PRO 5 CB -0.0071 -0.0135 -0.0119 3299 PRO 5 CG -0.0073 -0.0149 -0.0129 3300 PRO 5 CD -0.0072 -0.0132 -0.0105 3301 GLU 6 N -0.0077 -0.0109 -0.0007 3302 GLU 6 CA -0.0083 -0.0125 0.0019 3303 GLU 6 C -0.0076 -0.0066 0.0081 3304 GLU 6 O -0.0075 -0.0058 0.0087 3305 GLU 6 CB -0.0098 -0.0168 0.0065 3306 GLU 6 CG -0.0102 -0.0187 0.0063 3307 GLU 6 CD -0.0106 -0.0231 0.0008 3308 GLU 6 OE1 -0.0100 -0.0217 -0.0016 3309 GLU 6 OE2 -0.0095 -0.0183 0.0008 3310 GLU 7 N -0.0061 -0.0026 0.0059 3311 GLU 7 CA -0.0059 -0.0006 0.0075 3312 GLU 7 C -0.0054 0.0015 0.0060 3313 GLU 7 O -0.0054 0.0026 0.0073 3314 GLU 7 CB -0.0059 -0.0001 0.0075 3315 GLU 7 CG -0.0064 -0.0022 0.0094 3316 GLU 7 CD -0.0063 -0.0020 0.0090 3317 GLU 7 OE1 -0.0066 -0.0022 0.0113 3318 GLU 7 OE2 -0.0060 -0.0009 0.0078 3319 LYS 8 N -0.0052 0.0015 0.0041 3320 LYS 8 CA -0.0047 0.0037 0.0029 3321 LYS 8 C -0.0047 0.0038 0.0027 3322 LYS 8 O -0.0045 0.0051 0.0035 3323 LYS 8 CB -0.0046 0.0028 0.0002 3324 LYS 8 CG -0.0040 0.0056 -0.0003 3325 LYS 8 CD -0.0038 0.0058 -0.0021 3326 LYS 8 CE -0.0033 0.0083 -0.0034 3327 LYS 8 NZ -0.0028 0.0091 -0.0060 3328 SER 9 N -0.0050 0.0019 0.0027 3329 SER 9 CA -0.0050 0.0021 0.0031 3330 SER 9 C -0.0052 0.0025 0.0054 3331 SER 9 O -0.0051 0.0033 0.0053 3332 SER 9 CB -0.0052 0.0001 0.0019 3333 SER 9 OG -0.0055 -0.0013 0.0024 3334 ALA 10 N -0.0050 0.0023 0.0072 3335 ALA 10 CA -0.0047 0.0025 0.0082 3336 ALA 10 C -0.0041 0.0038 0.0085 3337 ALA 10 O -0.0037 0.0044 0.0089 3338 ALA 10 CB -0.0047 0.0020 0.0091 3339 VAL 11 N -0.0040 0.0041 0.0083 3340 VAL 11 CA -0.0034 0.0052 0.0087 3341 VAL 11 C -0.0032 0.0061 0.0079 3342 VAL 11 O -0.0028 0.0068 0.0084 3343 VAL 11 CB -0.0035 0.0052 0.0085 3344 VAL 11 CG1 -0.0030 0.0062 0.0086 3345 VAL 11 CG2 -0.0036 0.0045 0.0097 3346 THR 12 N -0.0035 0.0058 0.0068 3347 THR 12 CA -0.0032 0.0068 0.0058 3348 THR 12 C -0.0032 0.0069 0.0059 3349 THR 12 O -0.0027 0.0079 0.0060 3350 THR 12 CB -0.0038 0.0061 0.0044 3351 THR 12 OG1 -0.0036 0.0065 0.0045 3352 THR 12 CG2 -0.0036 0.0068 0.0038 3353 ALA 13 N -0.0038 0.0055 0.0058 3354 ALA 13 CA -0.0044 0.0050 0.0045 3355 ALA 13 C -0.0037 0.0052 0.0045 3356 ALA 13 O -0.0028 0.0052 0.0036 3357 ALA 13 CB -0.0057 0.0045 0.0039 3358 LEU 14 N -0.0041 0.0056 0.0065 3359 LEU 14 CA -0.0035 0.0058 0.0067 3360 LEU 14 C -0.0015 0.0063 0.0069 3361 LEU 14 O -0.0009 0.0063 0.0062 3362 LEU 14 CB -0.0047 0.0060 0.0087 3363 LEU 14 CG -0.0043 0.0062 0.0092 3364 LEU 14 CD1 -0.0061 0.0055 0.0083 3365 LEU 14 CD2 -0.0048 0.0065 0.0109 3366 TRP 15 N -0.0008 0.0067 0.0074 3367 TRP 15 CA 0.0012 0.0073 0.0079 3368 TRP 15 C 0.0023 0.0071 0.0060 3369 TRP 15 O 0.0036 0.0073 0.0057 3370 TRP 15 CB 0.0017 0.0077 0.0089 3371 TRP 15 CG 0.0035 0.0083 0.0097 3372 TRP 15 CD1 0.0051 0.0086 0.0091 3373 TRP 15 CD2 0.0038 0.0088 0.0112 3374 TRP 15 NE1 0.0065 0.0092 0.0100 3375 TRP 15 CE2 0.0059 0.0094 0.0115 3376 TRP 15 CE3 0.0026 0.0088 0.0124 3377 TRP 15 CZ2 0.0066 0.0099 0.0128 3378 TRP 15 CZ3 0.0035 0.0093 0.0139 3379 TRP 15 CH2 0.0055 0.0099 0.0139 3380 GLY 16 N 0.0012 0.0058 0.0057 3381 GLY 16 CA 0.0023 0.0052 0.0041 3382 GLY 16 C 0.0023 0.0049 0.0029 3383 GLY 16 O 0.0036 0.0043 0.0017 3384 LYS 17 N 0.0014 0.0050 0.0027 3385 LYS 17 CA 0.0010 0.0048 0.0016 3386 LYS 17 C 0.0022 0.0046 0.0018 3387 LYS 17 O 0.0026 0.0045 0.0017 3388 LYS 17 CB -0.0010 0.0051 0.0012 3389 LYS 17 CG -0.0020 0.0051 0.0006 3390 LYS 17 CD -0.0035 0.0053 0.0002 3391 LYS 17 CE -0.0054 0.0057 0.0004 3392 LYS 17 NZ -0.0059 0.0052 -0.0017 3393 VAL 18 N 0.0030 0.0050 0.0038 3394 VAL 18 CA 0.0041 0.0051 0.0050 3395 VAL 18 C 0.0062 0.0044 0.0041 3396 VAL 18 O 0.0066 0.0044 0.0044 3397 VAL 18 CB 0.0041 0.0055 0.0067 3398 VAL 18 CG1 0.0051 0.0056 0.0079 3399 VAL 18 CG2 0.0019 0.0062 0.0076 3400 ASN 19 N 0.0081 0.0003 -0.0000 3401 ASN 19 CA 0.0115 -0.0017 0.0001 3402 ASN 19 C 0.0135 -0.0003 0.0031 3403 ASN 19 O 0.0113 0.0009 0.0030 3404 ASN 19 CB 0.0106 -0.0046 -0.0038 3405 ASN 19 CG 0.0156 -0.0082 -0.0044 3406 ASN 19 OD1 0.0176 -0.0074 -0.0021 3407 ASN 19 ND2 0.0144 -0.0106 -0.0081 3408 VAL 20 N 0.0166 0.0001 0.0058 3409 VAL 20 CA 0.0180 0.0024 0.0096 3410 VAL 20 C 0.0180 0.0021 0.0092 3411 VAL 20 O 0.0176 0.0035 0.0106 3412 VAL 20 CB 0.0219 0.0040 0.0143 3413 VAL 20 CG1 0.0197 0.0048 0.0135 3414 VAL 20 CG2 0.0233 0.0034 0.0146 3415 ASP 21 N 0.0206 -0.0015 0.0070 3416 ASP 21 CA 0.0201 -0.0028 0.0051 3417 ASP 21 C 0.0179 -0.0027 0.0036 3418 ASP 21 O 0.0171 -0.0006 0.0054 3419 ASP 21 CB 0.0231 -0.0068 0.0027 3420 ASP 21 CG 0.0280 -0.0081 0.0047 3421 ASP 21 OD1 0.0308 -0.0060 0.0091 3422 ASP 21 OD2 0.0306 -0.0108 0.0035 3423 GLU 22 N 0.0128 -0.0026 0.0034 3424 GLU 22 CA 0.0099 -0.0023 0.0023 3425 GLU 22 C 0.0082 0.0010 0.0046 3426 GLU 22 O 0.0062 0.0017 0.0044 3427 GLU 22 CB 0.0084 -0.0040 0.0000 3428 GLU 22 CG 0.0068 -0.0032 0.0000 3429 GLU 22 CD 0.0026 -0.0048 -0.0035 3430 GLU 22 OE1 0.0018 -0.0052 -0.0041 3431 GLU 22 OE2 0.0039 -0.0066 -0.0045 3432 VAL 23 N 0.0077 0.0017 0.0051 3433 VAL 23 CA 0.0059 0.0044 0.0068 3434 VAL 23 C 0.0075 0.0060 0.0090 3435 VAL 23 O 0.0059 0.0078 0.0099 3436 VAL 23 CB 0.0058 0.0052 0.0075 3437 VAL 23 CG1 0.0050 0.0077 0.0094 3438 VAL 23 CG2 0.0036 0.0037 0.0051 3439 GLY 24 N 0.0103 0.0056 0.0099 3440 GLY 24 CA 0.0120 0.0068 0.0119 3441 GLY 24 C 0.0113 0.0068 0.0115 3442 GLY 24 O 0.0104 0.0086 0.0128 3443 GLY 25 N 0.0087 0.0044 0.0076 3444 GLY 25 CA 0.0079 0.0043 0.0073 3445 GLY 25 C 0.0061 0.0050 0.0072 3446 GLY 25 O 0.0056 0.0060 0.0077 3447 GLU 26 N 0.0051 0.0047 0.0067 3448 GLU 26 CA 0.0033 0.0054 0.0066 3449 GLU 26 C 0.0029 0.0073 0.0078 3450 GLU 26 O 0.0018 0.0081 0.0080 3451 GLU 26 CB 0.0020 0.0047 0.0057 3452 GLU 26 CG 0.0003 0.0034 0.0043 3453 GLU 26 CD -0.0001 0.0052 0.0055 3454 GLU 26 OE1 -0.0021 0.0048 0.0046 3455 GLU 26 OE2 -0.0006 0.0038 0.0043 3456 ALA 27 N 0.0039 0.0077 0.0084 3457 ALA 27 CA 0.0039 0.0094 0.0096 3458 ALA 27 C 0.0043 0.0103 0.0104 3459 ALA 27 O 0.0033 0.0115 0.0109 3460 ALA 27 CB 0.0048 0.0097 0.0101 3461 LEU 28 N 0.0059 0.0056 0.0068 3462 LEU 28 CA 0.0064 0.0066 0.0074 3463 LEU 28 C 0.0051 0.0067 0.0074 3464 LEU 28 O 0.0047 0.0078 0.0081 3465 LEU 28 CB 0.0080 0.0062 0.0073 3466 LEU 28 CG 0.0087 0.0074 0.0081 3467 LEU 28 CD1 0.0087 0.0087 0.0088 3468 LEU 28 CD2 0.0101 0.0069 0.0078 3469 GLY 29 N 0.0045 0.0054 0.0066 3470 GLY 29 CA 0.0031 0.0054 0.0065 3471 GLY 29 C 0.0016 0.0063 0.0070 3472 GLY 29 O 0.0009 0.0071 0.0074 3473 ARG 30 N 0.0012 0.0060 0.0067 3474 ARG 30 CA -0.0002 0.0068 0.0071 3475 ARG 30 C 0.0000 0.0083 0.0081 3476 ARG 30 O -0.0012 0.0091 0.0085 3477 ARG 30 CB -0.0009 0.0060 0.0066 3478 ARG 30 CG -0.0018 0.0047 0.0058 3479 ARG 30 CD -0.0023 0.0041 0.0054 3480 ARG 30 NE -0.0030 0.0029 0.0047 3481 ARG 30 CZ -0.0045 0.0025 0.0044 3482 ARG 30 NH1 -0.0051 0.0013 0.0036 3483 ARG 30 NH2 -0.0058 0.0035 0.0048 3484 LEU 31 N 0.0014 0.0031 0.0039 3485 LEU 31 CA 0.0013 0.0029 0.0037 3486 LEU 31 C 0.0013 0.0027 0.0035 3487 LEU 31 O 0.0014 0.0026 0.0032 3488 LEU 31 CB 0.0011 0.0028 0.0038 3489 LEU 31 CG 0.0011 0.0027 0.0036 3490 LEU 31 CD1 0.0013 0.0027 0.0035 3491 LEU 31 CD2 0.0008 0.0026 0.0037 3492 LEU 32 N 0.0011 0.0027 0.0036 3493 LEU 32 CA 0.0010 0.0025 0.0034 3494 LEU 32 C 0.0012 0.0025 0.0033 3495 LEU 32 O 0.0012 0.0024 0.0030 3496 LEU 32 CB 0.0008 0.0024 0.0035 3497 LEU 32 CG 0.0005 0.0023 0.0036 3498 LEU 32 CD1 0.0003 0.0023 0.0038 3499 LEU 32 CD2 0.0004 0.0022 0.0035 3500 VAL 33 N 0.0014 0.0027 0.0034 3501 VAL 33 CA 0.0016 0.0028 0.0032 3502 VAL 33 C 0.0018 0.0028 0.0030 3503 VAL 33 O 0.0019 0.0027 0.0028 3504 VAL 33 CB 0.0017 0.0030 0.0034 3505 VAL 33 CG1 0.0019 0.0030 0.0033 3506 VAL 33 CG2 0.0015 0.0029 0.0036 3507 VAL 34 N -0.0007 0.0006 0.0032 3508 VAL 34 CA 0.0000 0.0004 0.0028 3509 VAL 34 C -0.0001 -0.0000 0.0021 3510 VAL 34 O 0.0004 -0.0002 0.0017 3511 VAL 34 CB 0.0005 0.0006 0.0031 3512 VAL 34 CG1 0.0011 0.0004 0.0027 3513 VAL 34 CG2 0.0007 0.0010 0.0038 3514 TYR 35 N -0.0008 -0.0002 0.0019 3515 TYR 35 CA -0.0010 -0.0006 0.0012 3516 TYR 35 C -0.0018 -0.0006 0.0012 3517 TYR 35 O -0.0024 -0.0007 0.0011 3518 TYR 35 CB -0.0011 -0.0006 0.0011 3519 TYR 35 CG -0.0005 -0.0005 0.0013 3520 TYR 35 CD1 0.0002 -0.0007 0.0009 3521 TYR 35 CD2 -0.0005 -0.0002 0.0018 3522 TYR 35 CE1 0.0009 -0.0006 0.0010 3523 TYR 35 CE2 0.0002 -0.0001 0.0020 3524 TYR 35 CZ 0.0009 -0.0003 0.0016 3525 TYR 35 OH 0.0015 -0.0001 0.0018 3526 PRO 36 N -0.0017 -0.0007 0.0011 3527 PRO 36 CA -0.0025 -0.0007 0.0011 3528 PRO 36 C -0.0031 -0.0010 0.0005 3529 PRO 36 O -0.0038 -0.0010 0.0006 3530 PRO 36 CB -0.0022 -0.0007 0.0011 3531 PRO 36 CG -0.0014 -0.0008 0.0009 3532 PRO 36 CD -0.0012 -0.0007 0.0010 3533 TRP 37 N -0.0035 -0.0027 -0.0025 3534 TRP 37 CA -0.0036 -0.0024 -0.0029 3535 TRP 37 C -0.0034 -0.0025 -0.0029 3536 TRP 37 O -0.0036 -0.0023 -0.0032 3537 TRP 37 CB -0.0033 -0.0023 -0.0033 3538 TRP 37 CG -0.0027 -0.0025 -0.0033 3539 TRP 37 CD1 -0.0023 -0.0025 -0.0035 3540 TRP 37 CD2 -0.0024 -0.0026 -0.0032 3541 TRP 37 NE1 -0.0018 -0.0026 -0.0035 3542 TRP 37 CE2 -0.0019 -0.0028 -0.0032 3543 TRP 37 CE3 -0.0026 -0.0027 -0.0029 3544 TRP 37 CZ2 -0.0014 -0.0030 -0.0031 3545 TRP 37 CZ3 -0.0022 -0.0030 -0.0027 3546 TRP 37 CH2 -0.0017 -0.0030 -0.0029 3547 THR 38 N -0.0031 -0.0028 -0.0026 3548 THR 38 CA -0.0029 -0.0029 -0.0025 3549 THR 38 C -0.0034 -0.0028 -0.0024 3550 THR 38 O -0.0034 -0.0028 -0.0024 3551 THR 38 CB -0.0025 -0.0032 -0.0022 3552 THR 38 OG1 -0.0027 -0.0034 -0.0017 3553 THR 38 CG2 -0.0020 -0.0032 -0.0025 3554 GLN 39 N -0.0039 -0.0028 -0.0021 3555 GLN 39 CA -0.0043 -0.0028 -0.0019 3556 GLN 39 C -0.0046 -0.0025 -0.0023 3557 GLN 39 O -0.0049 -0.0024 -0.0022 3558 GLN 39 CB -0.0047 -0.0028 -0.0017 3559 GLN 39 CG -0.0045 -0.0031 -0.0012 3560 GLN 39 CD -0.0049 -0.0031 -0.0010 3561 GLN 39 OE1 -0.0054 -0.0029 -0.0011 3562 GLN 39 NE2 -0.0047 -0.0034 -0.0007 3563 ARG 40 N -0.0011 -0.0010 -0.0059 3564 ARG 40 CA -0.0016 -0.0006 -0.0069 3565 ARG 40 C -0.0017 -0.0006 -0.0067 3566 ARG 40 O -0.0025 -0.0002 -0.0073 3567 ARG 40 CB -0.0008 -0.0005 -0.0078 3568 ARG 40 CG -0.0000 -0.0006 -0.0082 3569 ARG 40 CD 0.0005 -0.0005 -0.0092 3570 ARG 40 NE 0.0000 -0.0001 -0.0100 3571 ARG 40 CZ -0.0004 0.0002 -0.0106 3572 ARG 40 NH1 0.0001 0.0001 -0.0107 3573 ARG 40 NH2 -0.0008 0.0006 -0.0115 3574 PHE 41 N -0.0012 -0.0009 -0.0062 3575 PHE 41 CA -0.0012 -0.0009 -0.0062 3576 PHE 41 C -0.0021 -0.0009 -0.0052 3577 PHE 41 O -0.0021 -0.0009 -0.0052 3578 PHE 41 CB -0.0002 -0.0012 -0.0062 3579 PHE 41 CG 0.0006 -0.0011 -0.0072 3580 PHE 41 CD1 0.0014 -0.0014 -0.0070 3581 PHE 41 CD2 0.0005 -0.0008 -0.0081 3582 PHE 41 CE1 0.0019 -0.0012 -0.0080 3583 PHE 41 CE2 0.0011 -0.0007 -0.0091 3584 PHE 41 CZ 0.0019 -0.0010 -0.0088 3585 PHE 42 N -0.0024 -0.0010 -0.0046 3586 PHE 42 CA -0.0028 -0.0012 -0.0036 3587 PHE 42 C -0.0039 -0.0010 -0.0033 3588 PHE 42 O -0.0043 -0.0011 -0.0024 3589 PHE 42 CB -0.0022 -0.0016 -0.0027 3590 PHE 42 CG -0.0011 -0.0019 -0.0029 3591 PHE 42 CD1 -0.0001 -0.0021 -0.0032 3592 PHE 42 CD2 -0.0010 -0.0020 -0.0027 3593 PHE 42 CE1 0.0008 -0.0023 -0.0033 3594 PHE 42 CE2 -0.0001 -0.0022 -0.0029 3595 PHE 42 CZ 0.0009 -0.0024 -0.0032 3596 GLU 43 N -0.0019 -0.0025 -0.0055 3597 GLU 43 CA -0.0030 -0.0032 -0.0065 3598 GLU 43 C -0.0045 -0.0047 -0.0054 3599 GLU 43 O -0.0051 -0.0050 -0.0059 3600 GLU 43 CB -0.0037 -0.0036 -0.0074 3601 GLU 43 CG -0.0040 -0.0038 -0.0079 3602 GLU 43 CD -0.0032 -0.0027 -0.0098 3603 GLU 43 OE1 -0.0035 -0.0028 -0.0105 3604 GLU 43 OE2 -0.0030 -0.0022 -0.0116 3605 SER 44 N -0.0043 -0.0047 -0.0041 3606 SER 44 CA -0.0053 -0.0058 -0.0028 3607 SER 44 C -0.0049 -0.0057 -0.0020 3608 SER 44 O -0.0054 -0.0063 -0.0008 3609 SER 44 CB -0.0052 -0.0059 -0.0017 3610 SER 44 OG -0.0043 -0.0054 -0.0006 3611 PHE 45 N -0.0038 -0.0048 -0.0019 3612 PHE 45 CA -0.0034 -0.0046 -0.0007 3613 PHE 45 C -0.0041 -0.0051 -0.0013 3614 PHE 45 O -0.0036 -0.0050 0.0001 3615 PHE 45 CB -0.0019 -0.0034 -0.0007 3616 PHE 45 CG -0.0013 -0.0031 0.0005 3617 PHE 45 CD1 0.0000 -0.0022 0.0012 3618 PHE 45 CD2 -0.0015 -0.0035 0.0011 3619 PHE 45 CE1 0.0008 -0.0019 0.0024 3620 PHE 45 CE2 -0.0009 -0.0031 0.0020 3621 PHE 45 CZ 0.0002 -0.0024 0.0029 3622 GLY 46 N -0.0051 -0.0048 -0.0006 3623 GLY 46 CA -0.0036 -0.0039 -0.0006 3624 GLY 46 C -0.0004 -0.0038 -0.0017 3625 GLY 46 O -0.0006 -0.0056 -0.0026 3626 ASP 47 N 0.0006 -0.0017 -0.0011 3627 ASP 47 CA 0.0033 -0.0036 -0.0030 3628 ASP 47 C 0.0041 -0.0014 -0.0022 3629 ASP 47 O 0.0034 0.0007 -0.0010 3630 ASP 47 CB 0.0041 -0.0007 -0.0018 3631 ASP 47 CG 0.0072 -0.0006 -0.0029 3632 ASP 47 OD1 0.0078 0.0014 -0.0022 3633 ASP 47 OD2 0.0079 -0.0024 -0.0040 3634 LEU 48 N 0.0048 -0.0031 -0.0033 3635 LEU 48 CA 0.0055 -0.0025 -0.0032 3636 LEU 48 C 0.0084 -0.0024 -0.0043 3637 LEU 48 O 0.0091 -0.0033 -0.0049 3638 LEU 48 CB 0.0044 -0.0043 -0.0037 3639 LEU 48 CG 0.0018 -0.0034 -0.0024 3640 LEU 48 CD1 0.0004 -0.0055 -0.0028 3641 LEU 48 CD2 0.0013 -0.0011 -0.0010 3642 SER 49 N 0.0121 -0.0037 -0.0028 3643 SER 49 CA 0.0149 -0.0061 -0.0031 3644 SER 49 C 0.0180 -0.0041 -0.0030 3645 SER 49 O 0.0192 -0.0060 -0.0032 3646 SER 49 CB 0.0172 -0.0058 -0.0031 3647 SER 49 OG 0.0180 -0.0026 -0.0028 3648 THR 50 N 0.0169 -0.0011 -0.0026 3649 THR 50 CA 0.0183 -0.0009 -0.0026 3650 THR 50 C 0.0164 0.0022 -0.0023 3651 THR 50 O 0.0138 0.0030 -0.0021 3652 THR 50 CB 0.0209 0.0029 -0.0023 3653 THR 50 OG1 0.0195 0.0059 -0.0019 3654 THR 50 CG2 0.0232 0.0012 -0.0025 3655 PRO 51 N 0.0174 0.0031 -0.0022 3656 PRO 51 CA 0.0157 0.0050 -0.0019 3657 PRO 51 C 0.0143 0.0078 -0.0016 3658 PRO 51 O 0.0113 0.0091 -0.0014 3659 PRO 51 CB 0.0179 0.0057 -0.0019 3660 PRO 51 CG 0.0195 0.0028 -0.0022 3661 PRO 51 CD 0.0206 0.0017 -0.0024 3662 ASP 52 N 0.0175 0.0088 -0.0025 3663 ASP 52 CA 0.0159 0.0114 -0.0009 3664 ASP 52 C 0.0134 0.0090 -0.0002 3665 ASP 52 O 0.0117 0.0107 0.0011 3666 ASP 52 CB 0.0185 0.0119 -0.0022 3667 ASP 52 CG 0.0217 0.0143 -0.0032 3668 ASP 52 OD1 0.0209 0.0154 -0.0025 3669 ASP 52 OD2 0.0236 0.0098 -0.0055 3670 ALA 53 N 0.0139 0.0064 -0.0013 3671 ALA 53 CA 0.0119 0.0043 -0.0008 3672 ALA 53 C 0.0086 0.0039 0.0009 3673 ALA 53 O 0.0068 0.0044 0.0020 3674 ALA 53 CB 0.0120 0.0013 -0.0017 3675 VAL 54 N 0.0093 0.0028 0.0002 3676 VAL 54 CA 0.0066 0.0029 0.0017 3677 VAL 54 C 0.0056 0.0059 0.0031 3678 VAL 54 O 0.0028 0.0063 0.0047 3679 VAL 54 CB 0.0078 0.0018 0.0007 3680 VAL 54 CG1 0.0050 0.0022 0.0024 3681 VAL 54 CG2 0.0086 -0.0009 -0.0005 3682 MET 55 N 0.0063 0.0051 0.0027 3683 MET 55 CA 0.0059 0.0064 0.0036 3684 MET 55 C 0.0054 0.0063 0.0041 3685 MET 55 O 0.0048 0.0069 0.0052 3686 MET 55 CB 0.0067 0.0080 0.0028 3687 MET 55 CG 0.0069 0.0082 0.0026 3688 MET 55 SD 0.0063 0.0083 0.0035 3689 MET 55 CE 0.0058 0.0097 0.0045 3690 GLY 56 N 0.0060 0.0052 0.0031 3691 GLY 56 CA 0.0055 0.0054 0.0039 3692 GLY 56 C 0.0047 0.0040 0.0046 3693 GLY 56 O 0.0043 0.0032 0.0050 3694 ASN 57 N 0.0045 0.0027 0.0046 3695 ASN 57 CA 0.0038 0.0013 0.0052 3696 ASN 57 C 0.0029 0.0017 0.0065 3697 ASN 57 O 0.0024 0.0025 0.0074 3698 ASN 57 CB 0.0039 0.0003 0.0048 3699 ASN 57 CG 0.0032 -0.0011 0.0054 3700 ASN 57 OD1 0.0023 -0.0014 0.0065 3701 ASN 57 ND2 0.0036 -0.0021 0.0046 3702 PRO 58 N 0.0004 -0.0036 0.0106 3703 PRO 58 CA 0.0011 -0.0040 0.0134 3704 PRO 58 C 0.0018 -0.0032 0.0131 3705 PRO 58 O 0.0035 -0.0027 0.0155 3706 PRO 58 CB -0.0009 -0.0065 0.0148 3707 PRO 58 CG -0.0021 -0.0060 0.0110 3708 PRO 58 CD -0.0023 -0.0061 0.0106 3709 LYS 59 N 0.0010 -0.0032 0.0113 3710 LYS 59 CA 0.0017 -0.0026 0.0111 3711 LYS 59 C 0.0043 0.0001 0.0105 3712 LYS 59 O 0.0053 0.0005 0.0118 3713 LYS 59 CB 0.0002 -0.0032 0.0092 3714 LYS 59 CG -0.0019 -0.0053 0.0099 3715 LYS 59 CD -0.0030 -0.0058 0.0083 3716 LYS 59 CE -0.0048 -0.0074 0.0083 3717 LYS 59 NZ -0.0071 -0.0095 0.0083 3718 VAL 60 N 0.0044 0.0008 0.0090 3719 VAL 60 CA 0.0069 0.0032 0.0087 3720 VAL 60 C 0.0083 0.0035 0.0112 3721 VAL 60 O 0.0103 0.0049 0.0121 3722 VAL 60 CB 0.0067 0.0041 0.0061 3723 VAL 60 CG1 0.0093 0.0063 0.0066 3724 VAL 60 CG2 0.0052 0.0037 0.0036 3725 LYS 61 N 0.0124 0.0012 0.0111 3726 LYS 61 CA 0.0138 0.0003 0.0126 3727 LYS 61 C 0.0158 -0.0001 0.0147 3728 LYS 61 O 0.0175 0.0011 0.0161 3729 LYS 61 CB 0.0128 -0.0022 0.0122 3730 LYS 61 CG 0.0107 -0.0017 0.0100 3731 LYS 61 CD 0.0099 -0.0042 0.0097 3732 LYS 61 CE 0.0081 -0.0044 0.0080 3733 LYS 61 NZ 0.0074 -0.0069 0.0079 3734 ALA 62 N 0.0159 -0.0015 0.0151 3735 ALA 62 CA 0.0180 -0.0021 0.0173 3736 ALA 62 C 0.0196 0.0006 0.0183 3737 ALA 62 O 0.0213 0.0010 0.0199 3738 ALA 62 CB 0.0175 -0.0041 0.0172 3739 HIS 63 N 0.0184 0.0024 0.0167 3740 HIS 63 CA 0.0197 0.0050 0.0175 3741 HIS 63 C 0.0202 0.0071 0.0176 3742 HIS 63 O 0.0220 0.0086 0.0190 3743 HIS 63 CB 0.0188 0.0063 0.0163 3744 HIS 63 CG 0.0197 0.0089 0.0166 3745 HIS 63 ND1 0.0213 0.0083 0.0183 3746 HIS 63 CD2 0.0194 0.0118 0.0158 3747 HIS 63 CE1 0.0221 0.0117 0.0185 3748 HIS 63 NE2 0.0205 0.0126 0.0168 3749 GLY 64 N 0.0192 0.0103 0.0161 3750 GLY 64 CA 0.0171 0.0113 0.0157 3751 GLY 64 C 0.0206 0.0087 0.0160 3752 GLY 64 O 0.0223 0.0110 0.0177 3753 LYS 65 N 0.0239 0.0027 0.0146 3754 LYS 65 CA 0.0286 -0.0000 0.0153 3755 LYS 65 C 0.0342 0.0027 0.0188 3756 LYS 65 O 0.0363 0.0030 0.0198 3757 LYS 65 CB 0.0300 -0.0067 0.0129 3758 LYS 65 CG 0.0346 -0.0088 0.0138 3759 LYS 65 CD 0.0362 -0.0166 0.0110 3760 LYS 65 CE 0.0442 -0.0180 0.0136 3761 LYS 65 NZ 0.0443 -0.0249 0.0105 3762 LYS 66 N 0.0363 0.0050 0.0208 3763 LYS 66 CA 0.0419 0.0078 0.0243 3764 LYS 66 C 0.0400 0.0127 0.0257 3765 LYS 66 O 0.0440 0.0147 0.0282 3766 LYS 66 CB 0.0432 0.0092 0.0254 3767 LYS 66 CG 0.0464 0.0112 0.0277 3768 LYS 66 CD 0.0506 0.0074 0.0277 3769 LYS 66 CE 0.0595 0.0097 0.0324 3770 LYS 66 NZ 0.0627 0.0133 0.0353 3771 VAL 67 N 0.0302 0.0154 0.0227 3772 VAL 67 CA 0.0276 0.0159 0.0248 3773 VAL 67 C 0.0250 0.0154 0.0231 3774 VAL 67 O 0.0237 0.0155 0.0239 3775 VAL 67 CB 0.0268 0.0165 0.0271 3776 VAL 67 CG1 0.0230 0.0166 0.0281 3777 VAL 67 CG2 0.0296 0.0171 0.0291 3778 LEU 68 N 0.0238 0.0146 0.0204 3779 LEU 68 CA 0.0210 0.0141 0.0189 3780 LEU 68 C 0.0217 0.0136 0.0168 3781 LEU 68 O 0.0200 0.0134 0.0162 3782 LEU 68 CB 0.0189 0.0134 0.0163 3783 LEU 68 CG 0.0157 0.0134 0.0165 3784 LEU 68 CD1 0.0137 0.0139 0.0187 3785 LEU 68 CD2 0.0145 0.0128 0.0144 3786 GLY 69 N 0.0252 0.0134 0.0159 3787 GLY 69 CA 0.0265 0.0132 0.0148 3788 GLY 69 C 0.0264 0.0138 0.0169 3789 GLY 69 O 0.0251 0.0135 0.0161 3790 ALA 70 N 0.0180 0.0162 0.0158 3791 ALA 70 CA 0.0168 0.0155 0.0171 3792 ALA 70 C 0.0148 0.0151 0.0175 3793 ALA 70 O 0.0129 0.0147 0.0177 3794 ALA 70 CB 0.0183 0.0150 0.0188 3795 PHE 71 N 0.0148 0.0150 0.0176 3796 PHE 71 CA 0.0127 0.0146 0.0179 3797 PHE 71 C 0.0111 0.0152 0.0161 3798 PHE 71 O 0.0094 0.0148 0.0164 3799 PHE 71 CB 0.0133 0.0145 0.0183 3800 PHE 71 CG 0.0113 0.0141 0.0185 3801 PHE 71 CD1 0.0110 0.0132 0.0206 3802 PHE 71 CD2 0.0105 0.0149 0.0166 3803 PHE 71 CE1 0.0091 0.0129 0.0206 3804 PHE 71 CE2 0.0086 0.0143 0.0172 3805 PHE 71 CZ 0.0079 0.0133 0.0192 3806 SER 72 N 0.0121 0.0160 0.0144 3807 SER 72 CA 0.0111 0.0167 0.0126 3808 SER 72 C 0.0096 0.0164 0.0127 3809 SER 72 O 0.0076 0.0164 0.0121 3810 SER 72 CB 0.0114 0.0177 0.0102 3811 SER 72 OG 0.0127 0.0177 0.0107 3812 ASP 73 N 0.0046 0.0207 0.0113 3813 ASP 73 CA 0.0037 0.0203 0.0102 3814 ASP 73 C 0.0033 0.0192 0.0095 3815 ASP 73 O 0.0026 0.0185 0.0087 3816 ASP 73 CB 0.0032 0.0215 0.0094 3817 ASP 73 CG 0.0034 0.0226 0.0096 3818 ASP 73 OD1 0.0038 0.0240 0.0102 3819 ASP 73 OD2 0.0037 0.0241 0.0100 3820 GLY 74 N 0.0039 0.0178 0.0104 3821 GLY 74 CA 0.0036 0.0163 0.0101 3822 GLY 74 C 0.0036 0.0153 0.0102 3823 GLY 74 O 0.0032 0.0141 0.0096 3824 LEU 75 N 0.0041 0.0160 0.0109 3825 LEU 75 CA 0.0040 0.0153 0.0106 3826 LEU 75 C 0.0031 0.0153 0.0094 3827 LEU 75 O 0.0029 0.0146 0.0093 3828 LEU 75 CB 0.0049 0.0160 0.0118 3829 LEU 75 CG 0.0057 0.0154 0.0130 3830 LEU 75 CD1 0.0057 0.0141 0.0130 3831 LEU 75 CD2 0.0065 0.0160 0.0140 3832 ALA 76 N -0.0016 0.0194 0.0093 3833 ALA 76 CA -0.0033 0.0199 0.0076 3834 ALA 76 C -0.0033 0.0188 0.0060 3835 ALA 76 O -0.0035 0.0182 0.0045 3836 ALA 76 CB -0.0044 0.0217 0.0088 3837 HIS 77 N -0.0025 0.0173 0.0047 3838 HIS 77 CA -0.0029 0.0163 0.0024 3839 HIS 77 C -0.0017 0.0144 0.0014 3840 HIS 77 O -0.0018 0.0135 -0.0002 3841 HIS 77 CB -0.0050 0.0171 0.0005 3842 HIS 77 CG -0.0068 0.0189 0.0007 3843 HIS 77 ND1 -0.0071 0.0205 0.0026 3844 HIS 77 CD2 -0.0080 0.0190 -0.0010 3845 HIS 77 CE1 -0.0093 0.0225 0.0025 3846 HIS 77 NE2 -0.0090 0.0215 0.0014 3847 LEU 78 N 0.0004 0.0133 0.0028 3848 LEU 78 CA 0.0019 0.0116 0.0023 3849 LEU 78 C 0.0024 0.0099 0.0006 3850 LEU 78 O 0.0033 0.0087 -0.0001 3851 LEU 78 CB 0.0040 0.0111 0.0049 3852 LEU 78 CG 0.0049 0.0116 0.0070 3853 LEU 78 CD1 0.0062 0.0116 0.0090 3854 LEU 78 CD2 0.0049 0.0117 0.0073 3855 ASP 79 N 0.0011 0.0110 -0.0015 3856 ASP 79 CA 0.0014 0.0079 -0.0039 3857 ASP 79 C -0.0021 0.0072 -0.0070 3858 ASP 79 O -0.0022 0.0048 -0.0091 3859 ASP 79 CB -0.0013 0.0093 -0.0046 3860 ASP 79 CG -0.0001 0.0107 -0.0026 3861 ASP 79 OD1 -0.0014 0.0105 -0.0036 3862 ASP 79 OD2 0.0036 0.0070 -0.0033 3863 ASN 80 N -0.0028 0.0097 -0.0053 3864 ASN 80 CA -0.0048 0.0083 -0.0078 3865 ASN 80 C -0.0051 0.0106 -0.0061 3866 ASN 80 O -0.0073 0.0114 -0.0070 3867 ASN 80 CB -0.0076 0.0093 -0.0090 3868 ASN 80 CG -0.0107 0.0103 -0.0102 3869 ASN 80 OD1 -0.0124 0.0083 -0.0131 3870 ASN 80 ND2 -0.0106 0.0127 -0.0080 3871 LEU 81 N -0.0019 0.0087 -0.0056 3872 LEU 81 CA -0.0015 0.0099 -0.0042 3873 LEU 81 C -0.0035 0.0090 -0.0064 3874 LEU 81 O -0.0049 0.0108 -0.0058 3875 LEU 81 CB 0.0020 0.0084 -0.0031 3876 LEU 81 CG 0.0042 0.0101 -0.0002 3877 LEU 81 CD1 0.0072 0.0086 0.0006 3878 LEU 81 CD2 0.0032 0.0132 0.0019 3879 LYS 82 N -0.0046 0.0046 -0.0089 3880 LYS 82 CA -0.0059 0.0042 -0.0100 3881 LYS 82 C -0.0083 0.0062 -0.0109 3882 LYS 82 O -0.0091 0.0073 -0.0109 3883 LYS 82 CB -0.0061 0.0008 -0.0118 3884 LYS 82 CG -0.0040 -0.0010 -0.0110 3885 LYS 82 CD -0.0043 -0.0048 -0.0131 3886 LYS 82 CE 0.0003 -0.0055 -0.0099 3887 LYS 82 NZ -0.0017 -0.0075 -0.0124 3888 GLY 83 N -0.0104 0.0073 -0.0119 3889 GLY 83 CA -0.0130 0.0088 -0.0132 3890 GLY 83 C -0.0128 0.0117 -0.0117 3891 GLY 83 O -0.0137 0.0134 -0.0115 3892 THR 84 N -0.0106 0.0129 -0.0094 3893 THR 84 CA -0.0105 0.0156 -0.0080 3894 THR 84 C -0.0099 0.0160 -0.0074 3895 THR 84 O -0.0102 0.0184 -0.0065 3896 THR 84 CB -0.0084 0.0165 -0.0060 3897 THR 84 OG1 -0.0094 0.0162 -0.0069 3898 THR 84 CG2 -0.0077 0.0194 -0.0041 3899 PHE 85 N -0.0040 0.0106 -0.0085 3900 PHE 85 CA -0.0015 0.0108 -0.0072 3901 PHE 85 C -0.0032 0.0086 -0.0088 3902 PHE 85 O -0.0017 0.0076 -0.0084 3903 PHE 85 CB 0.0020 0.0089 -0.0061 3904 PHE 85 CG 0.0036 0.0121 -0.0042 3905 PHE 85 CD1 0.0045 0.0116 -0.0039 3906 PHE 85 CD2 0.0048 0.0148 -0.0027 3907 PHE 85 CE1 0.0064 0.0144 -0.0021 3908 PHE 85 CE2 0.0062 0.0178 -0.0011 3909 PHE 85 CZ 0.0070 0.0179 -0.0006 3910 ALA 86 N -0.0061 0.0068 -0.0108 3911 ALA 86 CA -0.0071 0.0038 -0.0123 3912 ALA 86 C -0.0079 0.0061 -0.0119 3913 ALA 86 O -0.0066 0.0043 -0.0119 3914 ALA 86 CB -0.0113 0.0033 -0.0145 3915 THR 87 N -0.0093 0.0095 -0.0115 3916 THR 87 CA -0.0097 0.0111 -0.0111 3917 THR 87 C -0.0062 0.0115 -0.0093 3918 THR 87 O -0.0058 0.0107 -0.0093 3919 THR 87 CB -0.0120 0.0151 -0.0109 3920 THR 87 OG1 -0.0153 0.0145 -0.0127 3921 THR 87 CG2 -0.0130 0.0164 -0.0109 3922 LEU 88 N 0.0002 0.0098 -0.0109 3923 LEU 88 CA 0.0034 0.0100 -0.0109 3924 LEU 88 C 0.0049 0.0071 -0.0102 3925 LEU 88 O 0.0076 0.0061 -0.0099 3926 LEU 88 CB 0.0046 0.0127 -0.0114 3927 LEU 88 CG 0.0044 0.0157 -0.0120 3928 LEU 88 CD1 0.0046 0.0179 -0.0125 3929 LEU 88 CD2 0.0061 0.0157 -0.0119 3930 SER 89 N 0.0029 0.0057 -0.0100 3931 SER 89 CA 0.0038 0.0027 -0.0093 3932 SER 89 C 0.0048 0.0004 -0.0088 3933 SER 89 O 0.0069 -0.0014 -0.0083 3934 SER 89 CB 0.0016 0.0013 -0.0091 3935 SER 89 OG 0.0028 -0.0013 -0.0085 3936 GLU 90 N 0.0023 -0.0001 -0.0088 3937 GLU 90 CA 0.0026 -0.0017 -0.0084 3938 GLU 90 C 0.0052 -0.0010 -0.0085 3939 GLU 90 O 0.0067 -0.0028 -0.0081 3940 GLU 90 CB -0.0009 -0.0017 -0.0085 3941 GLU 90 CG -0.0005 -0.0045 -0.0080 3942 GLU 90 CD -0.0060 -0.0043 -0.0082 3943 GLU 90 OE1 -0.0043 -0.0032 -0.0083 3944 GLU 90 OE2 -0.0066 -0.0019 -0.0087 3945 LEU 91 N 0.0111 -0.0019 -0.0117 3946 LEU 91 CA 0.0138 -0.0021 -0.0124 3947 LEU 91 C 0.0148 -0.0023 -0.0120 3948 LEU 91 O 0.0171 -0.0029 -0.0115 3949 LEU 91 CB 0.0142 -0.0009 -0.0156 3950 LEU 91 CG 0.0168 -0.0006 -0.0175 3951 LEU 91 CD1 0.0200 -0.0014 -0.0164 3952 LEU 91 CD2 0.0168 0.0005 -0.0205 3953 HIS 92 N 0.0123 -0.0017 -0.0129 3954 HIS 92 CA 0.0133 -0.0017 -0.0131 3955 HIS 92 C 0.0127 -0.0029 -0.0096 3956 HIS 92 O 0.0145 -0.0033 -0.0092 3957 HIS 92 CB 0.0104 -0.0010 -0.0139 3958 HIS 92 CG 0.0108 0.0001 -0.0171 3959 HIS 92 ND1 0.0102 0.0008 -0.0188 3960 HIS 92 CD2 0.0116 0.0008 -0.0193 3961 HIS 92 CE1 0.0108 0.0017 -0.0215 3962 HIS 92 NE2 0.0121 0.0017 -0.0220 3963 CYS 93 N 0.0114 -0.0034 -0.0078 3964 CYS 93 CA 0.0120 -0.0047 -0.0046 3965 CYS 93 C 0.0152 -0.0054 -0.0037 3966 CYS 93 O 0.0164 -0.0059 -0.0028 3967 CYS 93 CB 0.0091 -0.0047 -0.0035 3968 CYS 93 SG 0.0096 -0.0062 0.0005 3969 ASP 94 N 0.0151 -0.0064 -0.0022 3970 ASP 94 CA 0.0207 -0.0066 0.0014 3971 ASP 94 C 0.0246 -0.0073 -0.0015 3972 ASP 94 O 0.0281 -0.0074 0.0009 3973 ASP 94 CB 0.0212 -0.0067 0.0014 3974 ASP 94 CG 0.0179 -0.0059 0.0056 3975 ASP 94 OD1 0.0155 -0.0056 0.0071 3976 ASP 94 OD2 0.0187 -0.0062 0.0033 3977 LYS 95 N 0.0248 -0.0077 -0.0066 3978 LYS 95 CA 0.0295 -0.0085 -0.0096 3979 LYS 95 C 0.0284 -0.0085 -0.0108 3980 LYS 95 O 0.0304 -0.0087 -0.0106 3981 LYS 95 CB 0.0313 -0.0091 -0.0142 3982 LYS 95 CG 0.0318 -0.0091 -0.0133 3983 LYS 95 CD 0.0384 -0.0092 -0.0079 3984 LYS 95 CE 0.0414 -0.0092 -0.0050 3985 LYS 95 NZ 0.0469 -0.0093 -0.0008 3986 LEU 96 N 0.0225 -0.0082 -0.0134 3987 LEU 96 CA 0.0214 -0.0083 -0.0157 3988 LEU 96 C 0.0188 -0.0077 -0.0116 3989 LEU 96 O 0.0187 -0.0078 -0.0132 3990 LEU 96 CB 0.0184 -0.0085 -0.0209 3991 LEU 96 CG 0.0205 -0.0091 -0.0251 3992 LEU 96 CD1 0.0167 -0.0092 -0.0299 3993 LEU 96 CD2 0.0254 -0.0097 -0.0267 3994 HIS 97 N 0.0098 -0.0050 -0.0077 3995 HIS 97 CA 0.0087 -0.0043 -0.0062 3996 HIS 97 C 0.0066 -0.0040 -0.0074 3997 HIS 97 O 0.0059 -0.0038 -0.0074 3998 HIS 97 CB 0.0099 -0.0044 -0.0053 3999 HIS 97 CG 0.0122 -0.0047 -0.0040 4000 HIS 97 ND1 0.0122 -0.0042 -0.0025 4001 HIS 97 CD2 0.0140 -0.0055 -0.0049 4002 HIS 97 CE1 0.0145 -0.0047 -0.0015 4003 HIS 97 NE2 0.0151 -0.0053 -0.0030 4004 VAL 98 N 0.0055 -0.0041 -0.0088 4005 VAL 98 CA 0.0036 -0.0039 -0.0101 4006 VAL 98 C 0.0015 -0.0029 -0.0089 4007 VAL 98 O 0.0011 -0.0026 -0.0084 4008 VAL 98 CB 0.0032 -0.0043 -0.0121 4009 VAL 98 CG1 0.0011 -0.0041 -0.0134 4010 VAL 98 CG2 0.0053 -0.0053 -0.0135 4011 ASP 99 N 0.0003 -0.0024 -0.0085 4012 ASP 99 CA -0.0019 -0.0015 -0.0075 4013 ASP 99 C -0.0032 -0.0016 -0.0090 4014 ASP 99 O -0.0035 -0.0020 -0.0110 4015 ASP 99 CB -0.0027 -0.0013 -0.0075 4016 ASP 99 CG -0.0051 -0.0003 -0.0064 4017 ASP 99 OD1 -0.0054 -0.0001 -0.0062 4018 ASP 99 OD2 -0.0058 0.0001 -0.0059 4019 PRO 100 N -0.0018 -0.0016 -0.0080 4020 PRO 100 CA -0.0013 -0.0014 -0.0075 4021 PRO 100 C -0.0008 -0.0013 -0.0075 4022 PRO 100 O -0.0005 -0.0012 -0.0069 4023 PRO 100 CB -0.0011 -0.0013 -0.0075 4024 PRO 100 CG -0.0012 -0.0014 -0.0081 4025 PRO 100 CD -0.0018 -0.0015 -0.0084 4026 GLU 101 N -0.0008 -0.0012 -0.0080 4027 GLU 101 CA -0.0004 -0.0011 -0.0080 4028 GLU 101 C -0.0005 -0.0012 -0.0074 4029 GLU 101 O -0.0001 -0.0011 -0.0070 4030 GLU 101 CB -0.0004 -0.0011 -0.0086 4031 GLU 101 CG 0.0001 -0.0010 -0.0085 4032 GLU 101 CD 0.0010 -0.0007 -0.0083 4033 GLU 101 OE1 0.0010 -0.0007 -0.0087 4034 GLU 101 OE2 0.0010 -0.0007 -0.0082 4035 ASN 102 N -0.0011 -0.0014 -0.0072 4036 ASN 102 CA -0.0014 -0.0015 -0.0066 4037 ASN 102 C -0.0011 -0.0014 -0.0060 4038 ASN 102 O -0.0010 -0.0013 -0.0055 4039 ASN 102 CB -0.0020 -0.0017 -0.0065 4040 ASN 102 CG -0.0024 -0.0018 -0.0071 4041 ASN 102 OD1 -0.0024 -0.0018 -0.0071 4042 ASN 102 ND2 -0.0027 -0.0018 -0.0076 4043 PHE 103 N 0.0015 0.0009 -0.0040 4044 PHE 103 CA 0.0022 0.0005 -0.0036 4045 PHE 103 C 0.0032 -0.0002 -0.0030 4046 PHE 103 O 0.0036 -0.0006 -0.0021 4047 PHE 103 CB 0.0027 0.0005 -0.0044 4048 PHE 103 CG 0.0016 0.0011 -0.0050 4049 PHE 103 CD1 0.0005 0.0014 -0.0043 4050 PHE 103 CD2 0.0018 0.0013 -0.0062 4051 PHE 103 CE1 -0.0003 0.0019 -0.0047 4052 PHE 103 CE2 0.0008 0.0019 -0.0067 4053 PHE 103 CZ -0.0002 0.0022 -0.0060 4054 ARG 104 N 0.0037 -0.0002 -0.0036 4055 ARG 104 CA 0.0047 -0.0007 -0.0033 4056 ARG 104 C 0.0043 -0.0009 -0.0021 4057 ARG 104 O 0.0050 -0.0014 -0.0014 4058 ARG 104 CB 0.0052 -0.0007 -0.0044 4059 ARG 104 CG 0.0056 -0.0007 -0.0053 4060 ARG 104 CD 0.0060 -0.0006 -0.0065 4061 ARG 104 NE 0.0065 -0.0006 -0.0073 4062 ARG 104 CZ 0.0065 -0.0001 -0.0093 4063 ARG 104 NH1 0.0062 -0.0001 -0.0086 4064 ARG 104 NH2 0.0074 -0.0005 -0.0093 4065 LEU 105 N 0.0034 -0.0005 -0.0021 4066 LEU 105 CA 0.0030 -0.0005 -0.0011 4067 LEU 105 C 0.0028 -0.0007 0.0001 4068 LEU 105 O 0.0032 -0.0012 0.0010 4069 LEU 105 CB 0.0020 -0.0000 -0.0013 4070 LEU 105 CG 0.0019 0.0002 -0.0021 4071 LEU 105 CD1 0.0009 0.0007 -0.0024 4072 LEU 105 CD2 0.0029 -0.0002 -0.0020 4073 LEU 106 N 0.0040 0.0053 0.0045 4074 LEU 106 CA 0.0039 0.0054 0.0046 4075 LEU 106 C 0.0041 0.0050 0.0045 4076 LEU 106 O 0.0041 0.0049 0.0048 4077 LEU 106 CB 0.0037 0.0059 0.0042 4078 LEU 106 CG 0.0037 0.0061 0.0043 4079 LEU 106 CD1 0.0036 0.0063 0.0049 4080 LEU 106 CD2 0.0035 0.0064 0.0039 4081 GLY 107 N 0.0042 0.0047 0.0041 4082 GLY 107 CA 0.0043 0.0042 0.0039 4083 GLY 107 C 0.0045 0.0038 0.0044 4084 GLY 107 O 0.0046 0.0037 0.0046 4085 ASN 108 N 0.0045 0.0038 0.0047 4086 ASN 108 CA 0.0047 0.0035 0.0052 4087 ASN 108 C 0.0046 0.0037 0.0057 4088 ASN 108 O 0.0047 0.0034 0.0060 4089 ASN 108 CB 0.0048 0.0033 0.0054 4090 ASN 108 CG 0.0049 0.0028 0.0049 4091 ASN 108 OD1 0.0050 0.0025 0.0046 4092 ASN 108 ND2 0.0049 0.0028 0.0051 4093 VAL 109 N 0.0018 0.0052 0.0079 4094 VAL 109 CA 0.0019 0.0048 0.0074 4095 VAL 109 C 0.0020 0.0046 0.0070 4096 VAL 109 O 0.0017 0.0045 0.0065 4097 VAL 109 CB 0.0024 0.0046 0.0074 4098 VAL 109 CG1 0.0026 0.0042 0.0069 4099 VAL 109 CG2 0.0023 0.0048 0.0076 4100 LEU 110 N 0.0024 0.0046 0.0073 4101 LEU 110 CA 0.0024 0.0044 0.0070 4102 LEU 110 C 0.0019 0.0045 0.0067 4103 LEU 110 O 0.0018 0.0044 0.0062 4104 LEU 110 CB 0.0028 0.0044 0.0073 4105 LEU 110 CG 0.0029 0.0042 0.0071 4106 LEU 110 CD1 0.0032 0.0038 0.0066 4107 LEU 110 CD2 0.0033 0.0042 0.0076 4108 VAL 111 N 0.0015 0.0049 0.0070 4109 VAL 111 CA 0.0009 0.0051 0.0068 4110 VAL 111 C 0.0006 0.0050 0.0063 4111 VAL 111 O 0.0003 0.0049 0.0058 4112 VAL 111 CB 0.0005 0.0055 0.0073 4113 VAL 111 CG1 -0.0001 0.0057 0.0070 4114 VAL 111 CG2 0.0008 0.0056 0.0077 4115 CYS 112 N -0.0021 0.0041 0.0059 4116 CYS 112 CA -0.0022 0.0040 0.0054 4117 CYS 112 C -0.0022 0.0038 0.0054 4118 CYS 112 O -0.0022 0.0039 0.0052 4119 CYS 112 CB -0.0023 0.0038 0.0051 4120 CYS 112 SG -0.0023 0.0043 0.0049 4121 VAL 113 N -0.0021 0.0033 0.0057 4122 VAL 113 CA -0.0021 0.0029 0.0057 4123 VAL 113 C -0.0021 0.0031 0.0060 4124 VAL 113 O -0.0021 0.0031 0.0058 4125 VAL 113 CB -0.0020 0.0024 0.0060 4126 VAL 113 CG1 -0.0020 0.0021 0.0061 4127 VAL 113 CG2 -0.0021 0.0021 0.0056 4128 LEU 114 N -0.0020 0.0034 0.0064 4129 LEU 114 CA -0.0019 0.0037 0.0067 4130 LEU 114 C -0.0020 0.0040 0.0063 4131 LEU 114 O -0.0020 0.0041 0.0063 4132 LEU 114 CB -0.0019 0.0039 0.0071 4133 LEU 114 CG -0.0018 0.0035 0.0075 4134 LEU 114 CD1 -0.0017 0.0038 0.0080 4135 LEU 114 CD2 -0.0017 0.0032 0.0077 4136 ALA 115 N -0.0048 0.0027 0.0041 4137 ALA 115 CA -0.0055 0.0025 0.0040 4138 ALA 115 C -0.0059 0.0020 0.0038 4139 ALA 115 O -0.0062 0.0016 0.0036 4140 ALA 115 CB -0.0060 0.0032 0.0043 4141 HIS 116 N -0.0059 0.0022 0.0039 4142 HIS 116 CA -0.0063 0.0018 0.0037 4143 HIS 116 C -0.0059 0.0011 0.0033 4144 HIS 116 O -0.0063 0.0006 0.0031 4145 HIS 116 CB -0.0062 0.0021 0.0038 4146 HIS 116 CG -0.0066 0.0017 0.0036 4147 HIS 116 ND1 -0.0062 0.0016 0.0036 4148 HIS 116 CD2 -0.0073 0.0016 0.0036 4149 HIS 116 CE1 -0.0068 0.0014 0.0035 4150 HIS 116 NE2 -0.0074 0.0013 0.0034 4151 HIS 117 N -0.0052 0.0011 0.0033 4152 HIS 117 CA -0.0048 0.0005 0.0030 4153 HIS 117 C -0.0049 0.0001 0.0028 4154 HIS 117 O -0.0050 -0.0005 0.0025 4155 HIS 117 CB -0.0040 0.0007 0.0031 4156 HIS 117 CG -0.0036 0.0002 0.0029 4157 HIS 117 ND1 -0.0037 -0.0002 0.0027 4158 HIS 117 CD2 -0.0032 -0.0004 0.0026 4159 HIS 117 CE1 -0.0032 -0.0008 0.0024 4160 HIS 117 NE2 -0.0030 -0.0008 0.0024 4161 PHE 118 N -0.0058 0.0039 0.0061 4162 PHE 118 CA -0.0054 0.0033 0.0061 4163 PHE 118 C -0.0056 0.0031 0.0063 4164 PHE 118 O -0.0053 0.0025 0.0064 4165 PHE 118 CB -0.0047 0.0035 0.0058 4166 PHE 118 CG -0.0045 0.0037 0.0057 4167 PHE 118 CD1 -0.0043 0.0042 0.0054 4168 PHE 118 CD2 -0.0042 0.0030 0.0058 4169 PHE 118 CE1 -0.0041 0.0043 0.0053 4170 PHE 118 CE2 -0.0040 0.0031 0.0056 4171 PHE 118 CZ -0.0040 0.0037 0.0055 4172 GLY 119 N -0.0061 0.0034 0.0064 4173 GLY 119 CA -0.0063 0.0031 0.0066 4174 GLY 119 C -0.0058 0.0031 0.0064 4175 GLY 119 O -0.0054 0.0034 0.0061 4176 LYS 120 N -0.0057 0.0024 0.0066 4177 LYS 120 CA -0.0054 0.0023 0.0065 4178 LYS 120 C -0.0047 0.0022 0.0062 4179 LYS 120 O -0.0043 0.0023 0.0060 4180 LYS 120 CB -0.0056 0.0017 0.0068 4181 LYS 120 CG -0.0052 0.0012 0.0068 4182 LYS 120 CD -0.0050 0.0004 0.0070 4183 LYS 120 CE -0.0050 -0.0000 0.0071 4184 LYS 120 NZ -0.0045 -0.0010 0.0072 4185 GLU 121 N -0.0035 0.0031 0.0065 4186 GLU 121 CA -0.0036 0.0031 0.0064 4187 GLU 121 C -0.0038 0.0029 0.0058 4188 GLU 121 O -0.0038 0.0029 0.0057 4189 GLU 121 CB -0.0041 0.0033 0.0067 4190 GLU 121 CG -0.0042 0.0033 0.0066 4191 GLU 121 CD -0.0046 0.0036 0.0071 4192 GLU 121 OE1 -0.0049 0.0035 0.0067 4193 GLU 121 OE2 -0.0049 0.0036 0.0071 4194 PHE 122 N -0.0039 0.0029 0.0056 4195 PHE 122 CA -0.0040 0.0028 0.0051 4196 PHE 122 C -0.0035 0.0026 0.0049 4197 PHE 122 O -0.0034 0.0025 0.0047 4198 PHE 122 CB -0.0043 0.0028 0.0050 4199 PHE 122 CG -0.0046 0.0027 0.0046 4200 PHE 122 CD1 -0.0049 0.0027 0.0044 4201 PHE 122 CD2 -0.0045 0.0025 0.0041 4202 PHE 122 CE1 -0.0052 0.0027 0.0040 4203 PHE 122 CE2 -0.0047 0.0024 0.0037 4204 PHE 122 CZ -0.0050 0.0025 0.0036 4205 THR 123 N -0.0032 0.0025 0.0049 4206 THR 123 CA -0.0027 0.0023 0.0047 4207 THR 123 C -0.0028 0.0022 0.0042 4208 THR 123 O -0.0031 0.0022 0.0040 4209 THR 123 CB -0.0025 0.0023 0.0049 4210 THR 123 OG1 -0.0027 0.0023 0.0047 4211 THR 123 CG2 -0.0025 0.0025 0.0055 4212 PRO 124 N -0.0003 0.0025 0.0005 4213 PRO 124 CA -0.0002 0.0023 -0.0000 4214 PRO 124 C -0.0007 0.0021 0.0006 4215 PRO 124 O -0.0011 0.0015 0.0003 4216 PRO 124 CB 0.0006 0.0028 -0.0006 4217 PRO 124 CG 0.0009 0.0031 -0.0007 4218 PRO 124 CD 0.0005 0.0032 0.0003 4219 PRO 125 N -0.0006 0.0026 0.0014 4220 PRO 125 CA -0.0011 0.0025 0.0020 4221 PRO 125 C -0.0019 0.0018 0.0024 4222 PRO 125 O -0.0024 0.0013 0.0024 4223 PRO 125 CB -0.0007 0.0032 0.0027 4224 PRO 125 CG -0.0001 0.0038 0.0024 4225 PRO 125 CD 0.0000 0.0036 0.0018 4226 VAL 126 N -0.0021 0.0017 0.0026 4227 VAL 126 CA -0.0029 0.0011 0.0030 4228 VAL 126 C -0.0033 0.0002 0.0021 4229 VAL 126 O -0.0039 -0.0003 0.0023 4230 VAL 126 CB -0.0030 0.0012 0.0034 4231 VAL 126 CG1 -0.0038 0.0005 0.0037 4232 VAL 126 CG2 -0.0028 0.0019 0.0042 4233 GLN 127 N -0.0025 0.0011 0.0019 4234 GLN 127 CA -0.0026 0.0007 0.0013 4235 GLN 127 C -0.0026 0.0008 0.0017 4236 GLN 127 O -0.0027 0.0002 0.0018 4237 GLN 127 CB -0.0026 0.0009 0.0002 4238 GLN 127 CG -0.0028 0.0004 -0.0004 4239 GLN 127 CD -0.0028 0.0009 -0.0014 4240 GLN 127 OE1 -0.0027 0.0013 -0.0018 4241 GLN 127 NE2 -0.0029 0.0005 -0.0019 4242 ALA 128 N -0.0023 0.0018 0.0019 4243 ALA 128 CA -0.0021 0.0021 0.0023 4244 ALA 128 C -0.0022 0.0016 0.0032 4245 ALA 128 O -0.0023 0.0012 0.0033 4246 ALA 128 CB -0.0018 0.0032 0.0024 4247 ALA 129 N -0.0022 0.0014 0.0038 4248 ALA 129 CA -0.0023 0.0009 0.0048 4249 ALA 129 C -0.0026 -0.0002 0.0046 4250 ALA 129 O -0.0027 -0.0006 0.0051 4251 ALA 129 CB -0.0022 0.0010 0.0055 4252 TYR 130 N -0.0008 0.0030 0.0057 4253 TYR 130 CA -0.0009 0.0027 0.0056 4254 TYR 130 C -0.0008 0.0020 0.0051 4255 TYR 130 O -0.0012 0.0015 0.0051 4256 TYR 130 CB -0.0006 0.0029 0.0055 4257 TYR 130 CG -0.0009 0.0033 0.0059 4258 TYR 130 CD1 -0.0015 0.0031 0.0061 4259 TYR 130 CD2 -0.0009 0.0040 0.0063 4260 TYR 130 CE1 -0.0020 0.0033 0.0065 4261 TYR 130 CE2 -0.0013 0.0043 0.0067 4262 TYR 130 CZ -0.0018 0.0041 0.0068 4263 TYR 130 OH -0.0022 0.0044 0.0072 4264 GLN 131 N -0.0004 0.0019 0.0048 4265 GLN 131 CA -0.0003 0.0013 0.0044 4266 GLN 131 C -0.0008 0.0008 0.0045 4267 GLN 131 O -0.0010 0.0003 0.0043 4268 GLN 131 CB 0.0004 0.0012 0.0040 4269 GLN 131 CG 0.0010 0.0015 0.0039 4270 GLN 131 CD 0.0012 0.0010 0.0035 4271 GLN 131 OE1 0.0016 0.0013 0.0034 4272 GLN 131 NE2 0.0009 0.0005 0.0034 4273 LYS 132 N -0.0011 0.0012 0.0048 4274 LYS 132 CA -0.0016 0.0008 0.0049 4275 LYS 132 C -0.0022 0.0006 0.0051 4276 LYS 132 O -0.0026 0.0001 0.0050 4277 LYS 132 CB -0.0018 0.0013 0.0052 4278 LYS 132 CG -0.0013 0.0014 0.0050 4279 LYS 132 CD -0.0014 0.0019 0.0054 4280 LYS 132 CE -0.0007 0.0023 0.0052 4281 LYS 132 NZ -0.0014 0.0025 0.0057 4282 VAL 133 N 0.0083 0.0047 0.0074 4283 VAL 133 CA 0.0074 0.0055 0.0072 4284 VAL 133 C 0.0075 0.0054 0.0072 4285 VAL 133 O 0.0066 0.0054 0.0067 4286 VAL 133 CB 0.0072 0.0067 0.0078 4287 VAL 133 CG1 0.0065 0.0075 0.0078 4288 VAL 133 CG2 0.0071 0.0067 0.0076 4289 VAL 134 N 0.0083 0.0055 0.0078 4290 VAL 134 CA 0.0084 0.0056 0.0079 4291 VAL 134 C 0.0083 0.0044 0.0072 4292 VAL 134 O 0.0077 0.0044 0.0069 4293 VAL 134 CB 0.0093 0.0060 0.0087 4294 VAL 134 CG1 0.0095 0.0071 0.0093 4295 VAL 134 CG2 0.0104 0.0051 0.0088 4296 ALA 135 N 0.0087 0.0035 0.0070 4297 ALA 135 CA 0.0087 0.0024 0.0064 4298 ALA 135 C 0.0073 0.0024 0.0056 4299 ALA 135 O 0.0069 0.0019 0.0051 4300 ALA 135 CB 0.0092 0.0014 0.0062 4301 GLY 136 N 0.0127 0.0048 0.0027 4302 GLY 136 CA 0.0110 0.0049 0.0026 4303 GLY 136 C 0.0091 0.0049 0.0025 4304 GLY 136 O 0.0076 0.0042 0.0015 4305 VAL 137 N 0.0092 0.0060 0.0036 4306 VAL 137 CA 0.0076 0.0063 0.0037 4307 VAL 137 C 0.0073 0.0054 0.0028 4308 VAL 137 O 0.0059 0.0047 0.0019 4309 VAL 137 CB 0.0076 0.0079 0.0054 4310 VAL 137 CG1 0.0062 0.0081 0.0055 4311 VAL 137 CG2 0.0075 0.0090 0.0065 4312 ALA 138 N 0.0090 0.0046 0.0021 4313 ALA 138 CA 0.0091 0.0034 0.0009 4314 ALA 138 C 0.0081 0.0022 -0.0005 4315 ALA 138 O 0.0071 0.0015 -0.0014 4316 ALA 138 CB 0.0114 0.0029 0.0005 4317 ASN 139 N 0.0077 0.0022 -0.0061 4318 ASN 139 CA 0.0067 0.0004 -0.0065 4319 ASN 139 C 0.0046 0.0006 -0.0068 4320 ASN 139 O 0.0034 -0.0007 -0.0071 4321 ASN 139 CB 0.0061 0.0003 -0.0066 4322 ASN 139 CG 0.0067 -0.0012 -0.0068 4323 ASN 139 OD1 0.0044 -0.0024 -0.0073 4324 ASN 139 ND2 0.0089 -0.0017 -0.0066 4325 ALA 140 N 0.0037 0.0026 -0.0065 4326 ALA 140 CA 0.0016 0.0033 -0.0067 4327 ALA 140 C 0.0020 0.0032 -0.0066 4328 ALA 140 O 0.0006 0.0024 -0.0070 4329 ALA 140 CB 0.0011 0.0054 -0.0064 4330 LEU 141 N 0.0035 0.0037 -0.0064 4331 LEU 141 CA 0.0039 0.0035 -0.0063 4332 LEU 141 C 0.0041 0.0014 -0.0067 4333 LEU 141 O 0.0040 0.0007 -0.0068 4334 LEU 141 CB 0.0056 0.0050 -0.0059 4335 LEU 141 CG 0.0052 0.0072 -0.0056 4336 LEU 141 CD1 0.0069 0.0078 -0.0052 4337 LEU 141 CD2 0.0036 0.0071 -0.0058 4338 ALA 142 N 0.0034 -0.0014 -0.0073 4339 ALA 142 CA 0.0037 -0.0036 -0.0063 4340 ALA 142 C 0.0017 -0.0052 -0.0066 4341 ALA 142 O 0.0022 -0.0068 -0.0057 4342 ALA 142 CB 0.0046 -0.0050 -0.0053 4343 HIS 143 N -0.0004 -0.0045 -0.0077 4344 HIS 143 CA -0.0027 -0.0058 -0.0082 4345 HIS 143 C -0.0027 -0.0065 -0.0079 4346 HIS 143 O -0.0039 -0.0085 -0.0076 4347 HIS 143 CB -0.0047 -0.0049 -0.0095 4348 HIS 143 CG -0.0068 -0.0061 -0.0099 4349 HIS 143 ND1 -0.0083 -0.0055 -0.0108 4350 HIS 143 CD2 -0.0076 -0.0089 -0.0091 4351 HIS 143 CE1 -0.0101 -0.0080 -0.0106 4352 HIS 143 NE2 -0.0098 -0.0093 -0.0099 4353 LYS 144 N -0.0018 -0.0050 -0.0082 4354 LYS 144 CA -0.0017 -0.0048 -0.0082 4355 LYS 144 C -0.0002 -0.0063 -0.0069 4356 LYS 144 O 0.0003 -0.0062 -0.0067 4357 LYS 144 CB -0.0027 -0.0034 -0.0092 4358 LYS 144 CG -0.0051 -0.0023 -0.0107 4359 LYS 144 CD -0.0070 -0.0033 -0.0112 4360 LYS 144 CE -0.0089 -0.0030 -0.0121 4361 LYS 144 NZ -0.0115 -0.0028 -0.0133 4362 TYR 145 N 0.0009 -0.0028 0.0006 4363 TYR 145 CA 0.0019 -0.0032 0.0020 4364 TYR 145 C 0.0017 -0.0033 0.0053 4365 TYR 145 O -0.0004 -0.0028 0.0063 4366 TYR 145 CB 0.0010 -0.0028 0.0006 4367 TYR 145 CG 0.0025 -0.0031 -0.0021 4368 TYR 145 CD1 0.0042 -0.0036 -0.0027 4369 TYR 145 CD2 0.0018 -0.0028 -0.0045 4370 TYR 145 CE1 0.0054 -0.0038 -0.0051 4371 TYR 145 CE2 0.0033 -0.0031 -0.0073 4372 TYR 145 CZ 0.0048 -0.0035 -0.0076 4373 TYR 145 OH 0.0062 -0.0038 -0.0101 4374 HIS 146 N 0.0039 -0.0041 0.0066 4375 HIS 146 CA 0.0040 -0.0043 0.0101 4376 HIS 146 C 0.0065 -0.0050 0.0106 4377 HIS 146 O 0.0077 -0.0053 0.0092 4378 HIS 146 CB 0.0048 -0.0046 0.0109 4379 HIS 146 CG 0.0073 -0.0052 0.0092 4380 HIS 146 ND1 0.0105 -0.0063 0.0113 4381 HIS 146 CD2 0.0092 -0.0057 0.0075 4382 HIS 146 CE1 0.0116 -0.0065 0.0105 4383 HIS 146 NE2 0.0124 -0.0066 0.0072 4384 HIS 146 OXT 0.0062 -0.0051 0.0135