1 GLY 5 N -0.0069 0.0088 0.0037 2 GLY 5 CA -0.0072 0.0080 0.0027 3 GLY 5 C -0.0077 0.0068 0.0018 4 GLY 5 O -0.0082 0.0061 0.0025 5 LEU 6 N -0.0076 0.0065 0.0004 6 LEU 6 CA -0.0080 0.0054 -0.0006 7 LEU 6 C -0.0074 0.0059 -0.0020 8 LEU 6 O -0.0067 0.0067 -0.0027 9 LEU 6 CB -0.0085 0.0042 -0.0010 10 LEU 6 CG -0.0092 0.0028 -0.0016 11 LEU 6 CD1 -0.0097 0.0025 -0.0005 12 LEU 6 CD2 -0.0098 0.0018 -0.0017 13 TYR 7 N -0.0082 0.0043 -0.0012 14 TYR 7 CA -0.0071 0.0037 -0.0024 15 TYR 7 C -0.0075 0.0020 -0.0033 16 TYR 7 O -0.0089 0.0013 -0.0030 17 TYR 7 CB -0.0070 0.0039 -0.0022 18 TYR 7 CG -0.0062 0.0055 -0.0016 19 TYR 7 CD1 -0.0069 0.0066 -0.0004 20 TYR 7 CD2 -0.0046 0.0058 -0.0022 21 TYR 7 CE1 -0.0061 0.0081 0.0002 22 TYR 7 CE2 -0.0038 0.0073 -0.0017 23 TYR 7 CZ -0.0046 0.0084 -0.0004 24 TYR 7 OH -0.0038 0.0098 0.0001 25 ARG 8 N -0.0063 0.0014 -0.0044 26 ARG 8 CA -0.0065 -0.0002 -0.0055 27 ARG 8 C -0.0057 -0.0008 -0.0064 28 ARG 8 O -0.0043 -0.0002 -0.0067 29 ARG 8 CB -0.0058 -0.0004 -0.0061 30 ARG 8 CG -0.0060 -0.0020 -0.0071 31 ARG 8 CD -0.0050 -0.0022 -0.0078 32 ARG 8 NE -0.0056 -0.0018 -0.0072 33 ARG 8 CZ -0.0046 -0.0009 -0.0071 34 ARG 8 NH1 -0.0031 -0.0004 -0.0076 35 ARG 8 NH2 -0.0053 -0.0005 -0.0064 36 MET 9 N -0.0020 -0.0025 -0.0053 37 MET 9 CA -0.0017 -0.0031 -0.0057 38 MET 9 C -0.0017 -0.0042 -0.0061 39 MET 9 O -0.0025 -0.0047 -0.0060 40 MET 9 CB -0.0025 -0.0032 -0.0054 41 MET 9 CG -0.0027 -0.0042 -0.0057 42 MET 9 SD -0.0036 -0.0043 -0.0054 43 MET 9 CE -0.0029 -0.0034 -0.0053 44 THR 10 N -0.0008 -0.0047 -0.0067 45 THR 10 CA -0.0008 -0.0057 -0.0072 46 THR 10 C -0.0005 -0.0063 -0.0075 47 THR 10 O 0.0001 -0.0060 -0.0076 48 THR 10 CB 0.0001 -0.0057 -0.0075 49 THR 10 CG2 0.0011 -0.0051 -0.0077 50 THR 10 OG1 0.0002 -0.0068 -0.0080 51 TYR 11 N 0.0030 -0.0052 -0.0069 52 TYR 11 CA 0.0030 -0.0051 -0.0068 53 TYR 11 C 0.0031 -0.0049 -0.0067 54 TYR 11 O 0.0032 -0.0049 -0.0067 55 TYR 11 CB 0.0031 -0.0052 -0.0069 56 TYR 11 CG 0.0033 -0.0051 -0.0070 57 TYR 11 CD1 0.0035 -0.0052 -0.0071 58 TYR 11 CD2 0.0034 -0.0049 -0.0069 59 TYR 11 CE1 0.0037 -0.0051 -0.0071 60 TYR 11 CE2 0.0036 -0.0049 -0.0069 61 TYR 11 CZ 0.0037 -0.0049 -0.0070 62 TYR 11 OH 0.0039 -0.0048 -0.0070 63 ILE 12 N 0.0030 -0.0048 -0.0066 64 ILE 12 CA 0.0031 -0.0047 -0.0065 65 ILE 12 C 0.0031 -0.0046 -0.0064 66 ILE 12 O 0.0031 -0.0047 -0.0065 67 ILE 12 CB 0.0029 -0.0046 -0.0063 68 ILE 12 CG1 0.0027 -0.0046 -0.0063 69 ILE 12 CG2 0.0028 -0.0047 -0.0064 70 ILE 12 CD1 0.0025 -0.0046 -0.0062 71 SER 13 N 0.0087 0.0005 -0.0028 72 SER 13 CA 0.0095 0.0011 -0.0032 73 SER 13 C 0.0090 0.0021 -0.0036 74 SER 13 O 0.0082 0.0023 -0.0035 75 SER 13 CB 0.0103 0.0009 -0.0034 76 SER 13 OG 0.0102 0.0015 -0.0036 77 ARG 14 N 0.0096 0.0028 -0.0040 78 ARG 14 CA 0.0092 0.0038 -0.0043 79 ARG 14 C 0.0099 0.0042 -0.0047 80 ARG 14 O 0.0108 0.0042 -0.0049 81 ARG 14 CB 0.0093 0.0042 -0.0046 82 ARG 14 CG 0.0086 0.0038 -0.0042 83 ARG 14 CD 0.0085 0.0044 -0.0044 84 ARG 14 NE 0.0079 0.0040 -0.0041 85 ARG 14 CZ 0.0069 0.0041 -0.0039 86 ARG 14 NH1 0.0064 0.0047 -0.0040 87 ARG 14 NH2 0.0065 0.0037 -0.0036 88 ALA 15 N 0.0106 0.0058 -0.0028 89 ALA 15 CA 0.0142 0.0064 -0.0018 90 ALA 15 C 0.0155 0.0120 -0.0022 91 ALA 15 O 0.0127 0.0153 -0.0037 92 ALA 15 CB 0.0123 0.0039 -0.0019 93 VAL 16 N 0.0198 0.0130 -0.0010 94 VAL 16 CA 0.0216 0.0181 -0.0013 95 VAL 16 C 0.0187 0.0199 -0.0025 96 VAL 16 O 0.0169 0.0168 -0.0026 97 VAL 16 CB 0.0271 0.0182 0.0005 98 VAL 16 CG1 0.0300 0.0179 0.0015 99 VAL 16 CG2 0.0283 0.0140 0.0016 100 PRO 17 N 0.0215 0.0527 -0.0176 101 PRO 17 CA 0.0120 0.0511 -0.0263 102 PRO 17 C 0.0119 0.0419 -0.0207 103 PRO 17 O 0.0024 0.0343 -0.0257 104 PRO 17 CB 0.0142 0.0664 -0.0337 105 PRO 17 CG 0.0259 0.0755 -0.0273 106 PRO 17 CD 0.0296 0.0676 -0.0185 107 GLY 18 N 0.0221 0.0422 -0.0104 108 GLY 18 CA 0.0230 0.0350 -0.0048 109 GLY 18 C 0.0219 0.0197 0.0036 110 GLY 18 O 0.0253 0.0140 0.0107 111 LEU 19 N 0.0134 0.0000 0.0075 112 LEU 19 CA 0.0133 -0.0001 0.0078 113 LEU 19 C 0.0141 -0.0038 0.0073 114 LEU 19 O 0.0154 -0.0056 0.0054 115 LEU 19 CB 0.0141 0.0026 0.0055 116 LEU 19 CG 0.0137 0.0034 0.0060 117 LEU 19 CD1 0.0121 0.0063 0.0083 118 LEU 19 CD2 0.0152 0.0045 0.0029 119 GLY 20 N 0.0133 -0.0049 0.0091 120 GLY 20 CA 0.0139 -0.0084 0.0089 121 GLY 20 C 0.0141 -0.0084 0.0087 122 GLY 20 O 0.0138 -0.0055 0.0083 123 TYR 21 N 0.0220 -0.0056 0.0162 124 TYR 21 CA 0.0220 0.0082 0.0153 125 TYR 21 C 0.0107 0.0133 0.0087 126 TYR 21 O 0.0101 0.0236 0.0078 127 TYR 21 CB 0.0252 0.0128 0.0167 128 TYR 21 CG 0.0375 0.0113 0.0235 129 TYR 21 CD1 0.0413 0.0001 0.0263 130 TYR 21 CD2 0.0452 0.0213 0.0271 131 TYR 21 CE1 0.0524 -0.0013 0.0325 132 TYR 21 CE2 0.0564 0.0200 0.0333 133 TYR 21 CZ 0.0600 0.0087 0.0360 134 TYR 21 OH 0.0711 0.0074 0.0421 135 ASN 22 N 0.0016 0.0063 0.0042 136 ASN 22 CA -0.0096 0.0106 -0.0021 137 ASN 22 C -0.0111 0.0116 -0.0030 138 ASN 22 O -0.0153 0.0211 -0.0059 139 ASN 22 CB -0.0185 0.0016 -0.0064 140 ASN 22 CG -0.0174 0.0006 -0.0058 141 ASN 22 ND2 -0.0220 -0.0098 -0.0076 142 ASN 22 OD1 -0.0126 0.0090 -0.0037 143 ASP 23 N -0.0011 0.0054 0.0026 144 ASP 23 CA 0.0004 0.0066 0.0035 145 ASP 23 C 0.0016 0.0085 0.0049 146 ASP 23 O 0.0017 0.0102 0.0062 147 ASP 23 CB 0.0025 0.0053 0.0024 148 ASP 23 CG 0.0013 0.0037 0.0012 149 ASP 23 OD1 0.0005 0.0042 0.0017 150 ASP 23 OD2 0.0011 0.0018 -0.0002 151 LEU 24 N 0.0027 0.0083 0.0047 152 LEU 24 CA 0.0039 0.0101 0.0060 153 LEU 24 C 0.0020 0.0118 0.0074 154 LEU 24 O 0.0026 0.0136 0.0088 155 LEU 24 CB 0.0051 0.0093 0.0054 156 LEU 24 CG 0.0077 0.0082 0.0045 157 LEU 24 CD1 0.0086 0.0074 0.0039 158 LEU 24 CD2 0.0098 0.0097 0.0056 159 ARG 25 N -0.0051 0.0227 0.0118 160 ARG 25 CA -0.0066 0.0260 0.0112 161 ARG 25 C -0.0062 0.0238 0.0077 162 ARG 25 O -0.0065 0.0248 0.0085 163 ARG 25 CB -0.0090 0.0308 0.0090 164 ARG 25 CG -0.0096 0.0304 0.0036 165 ARG 25 CD -0.0121 0.0354 0.0015 166 ARG 25 NE -0.0126 0.0357 -0.0015 167 ARG 25 CZ -0.0138 0.0388 -0.0002 168 ARG 25 NH1 -0.0145 0.0418 0.0040 169 ARG 25 NH2 -0.0142 0.0388 -0.0032 170 ASP 26 N -0.0054 0.0206 0.0038 171 ASP 26 CA -0.0047 0.0180 0.0007 172 ASP 26 C -0.0028 0.0148 0.0041 173 ASP 26 O -0.0028 0.0147 0.0038 174 ASP 26 CB -0.0040 0.0149 -0.0038 175 ASP 26 CG -0.0035 0.0125 -0.0075 176 ASP 26 OD1 -0.0048 0.0150 -0.0093 177 ASP 26 OD2 -0.0017 0.0080 -0.0085 178 ILE 27 N -0.0051 0.0071 0.0059 179 ILE 27 CA -0.0043 0.0073 0.0064 180 ILE 27 C -0.0052 0.0064 0.0074 181 ILE 27 O -0.0046 0.0063 0.0087 182 ILE 27 CB -0.0041 0.0080 0.0050 183 ILE 27 CG1 -0.0030 0.0090 0.0041 184 ILE 27 CG2 -0.0035 0.0082 0.0056 185 ILE 27 CD1 -0.0033 0.0096 0.0024 186 MET 28 N -0.0067 0.0058 0.0069 187 MET 28 CA -0.0076 0.0049 0.0078 188 MET 28 C -0.0076 0.0043 0.0094 189 MET 28 O -0.0074 0.0039 0.0106 190 MET 28 CB -0.0092 0.0044 0.0069 191 MET 28 CG -0.0103 0.0035 0.0074 192 MET 28 SD -0.0106 0.0025 0.0094 193 MET 28 CE -0.0113 0.0021 0.0094 194 GLY 29 N -0.0114 0.0092 0.0084 195 GLY 29 CA -0.0086 0.0073 0.0077 196 GLY 29 C -0.0082 0.0058 0.0070 197 GLY 29 O -0.0075 0.0031 0.0059 198 LYS 30 N -0.0086 0.0075 0.0077 199 LYS 30 CA -0.0083 0.0061 0.0072 200 LYS 30 C -0.0109 0.0037 0.0062 201 LYS 30 O -0.0102 0.0013 0.0052 202 LYS 30 CB -0.0085 0.0085 0.0082 203 LYS 30 CG -0.0056 0.0106 0.0090 204 LYS 30 CD -0.0062 0.0130 0.0100 205 LYS 30 CE -0.0033 0.0151 0.0109 206 LYS 30 NZ -0.0038 0.0176 0.0119 207 SER 31 N -0.0132 0.0003 0.0048 208 SER 31 CA -0.0132 0.0006 0.0042 209 SER 31 C -0.0129 0.0005 0.0038 210 SER 31 O -0.0131 0.0008 0.0035 211 SER 31 CB -0.0131 0.0005 0.0040 212 SER 31 OG -0.0126 0.0001 0.0040 213 GLU 32 N -0.0125 0.0001 0.0039 214 GLU 32 CA -0.0122 -0.0000 0.0035 215 GLU 32 C -0.0124 0.0002 0.0036 216 GLU 32 O -0.0125 0.0004 0.0032 217 GLU 32 CB -0.0117 -0.0005 0.0036 218 GLU 32 CG -0.0113 -0.0006 0.0030 219 GLU 32 CD -0.0109 -0.0011 0.0032 220 GLU 32 OE1 -0.0108 -0.0013 0.0036 221 GLU 32 OE2 -0.0106 -0.0012 0.0028 222 VAL 33 N -0.0151 0.0029 0.0042 223 VAL 33 CA -0.0154 0.0030 0.0030 224 VAL 33 C -0.0162 0.0023 0.0026 225 VAL 33 O -0.0163 0.0026 0.0018 226 VAL 33 CB -0.0156 0.0029 0.0028 227 VAL 33 CG1 -0.0162 0.0027 0.0017 228 VAL 33 CG2 -0.0148 0.0037 0.0029 229 ASN 34 N -0.0167 0.0015 0.0032 230 ASN 34 CA -0.0175 0.0008 0.0027 231 ASN 34 C -0.0174 0.0010 0.0027 232 ASN 34 O -0.0177 0.0009 0.0019 233 ASN 34 CB -0.0180 -0.0000 0.0034 234 ASN 34 CG -0.0183 -0.0003 0.0032 235 ASN 34 ND2 -0.0178 0.0000 0.0039 236 ASN 34 OD1 -0.0189 -0.0007 0.0026 237 ASN 35 N -0.0169 0.0002 0.0019 238 ASN 35 CA -0.0159 0.0013 0.0017 239 ASN 35 C -0.0160 0.0024 0.0016 240 ASN 35 O -0.0157 0.0036 0.0015 241 ASN 35 CB -0.0145 0.0007 0.0015 242 ASN 35 CG -0.0143 -0.0001 0.0015 243 ASN 35 ND2 -0.0133 0.0003 0.0013 244 ASN 35 OD1 -0.0152 -0.0010 0.0017 245 SER 36 N -0.0164 0.0020 0.0017 246 SER 36 CA -0.0167 0.0030 0.0017 247 SER 36 C -0.0179 0.0039 0.0018 248 SER 36 O -0.0179 0.0052 0.0017 249 SER 36 CB -0.0170 0.0022 0.0018 250 SER 36 OG -0.0184 0.0019 0.0021 251 HIS 37 N -0.0209 0.0056 0.0025 252 HIS 37 CA -0.0226 0.0065 0.0020 253 HIS 37 C -0.0211 0.0071 0.0028 254 HIS 37 O -0.0218 0.0092 0.0031 255 HIS 37 CB -0.0245 0.0042 0.0007 256 HIS 37 CG -0.0259 0.0045 0.0002 257 HIS 37 CD2 -0.0261 0.0026 -0.0004 258 HIS 37 ND1 -0.0272 0.0070 0.0003 259 HIS 37 CE1 -0.0282 0.0066 -0.0002 260 HIS 37 NE2 -0.0275 0.0040 -0.0006 261 VAL 38 N -0.0190 0.0053 0.0032 262 VAL 38 CA -0.0175 0.0057 0.0039 263 VAL 38 C -0.0153 0.0077 0.0054 264 VAL 38 O -0.0148 0.0092 0.0060 265 VAL 38 CB -0.0163 0.0029 0.0037 266 VAL 38 CG1 -0.0157 0.0032 0.0040 267 VAL 38 CG2 -0.0181 0.0006 0.0024 268 GLY 39 N -0.0174 0.0039 0.0021 269 GLY 39 CA -0.0164 0.0048 0.0027 270 GLY 39 C -0.0146 0.0043 0.0023 271 GLY 39 O -0.0135 0.0052 0.0029 272 LEU 40 N -0.0144 0.0029 0.0014 273 LEU 40 CA -0.0127 0.0023 0.0010 274 LEU 40 C -0.0127 0.0018 0.0006 275 LEU 40 O -0.0140 0.0011 0.0002 276 LEU 40 CB -0.0122 0.0012 0.0002 277 LEU 40 CG -0.0122 0.0015 0.0004 278 LEU 40 CD1 -0.0124 0.0001 -0.0005 279 LEU 40 CD2 -0.0106 0.0023 0.0009 280 THR 41 N -0.0116 0.0011 -0.0020 281 THR 41 CA -0.0108 0.0006 -0.0020 282 THR 41 C -0.0099 -0.0003 -0.0021 283 THR 41 O -0.0100 -0.0004 -0.0021 284 THR 41 CB -0.0100 0.0015 -0.0022 285 THR 41 CG2 -0.0108 0.0024 -0.0021 286 THR 41 OG1 -0.0093 0.0022 -0.0023 287 GLY 42 N -0.0092 -0.0010 -0.0021 288 GLY 42 CA -0.0083 -0.0018 -0.0022 289 GLY 42 C -0.0081 -0.0030 -0.0021 290 GLY 42 O -0.0083 -0.0030 -0.0021 291 LEU 43 N -0.0022 -0.0055 -0.0014 292 LEU 43 CA -0.0024 -0.0050 -0.0015 293 LEU 43 C -0.0024 -0.0044 -0.0017 294 LEU 43 O -0.0025 -0.0044 -0.0017 295 LEU 43 CB -0.0031 -0.0051 -0.0015 296 LEU 43 CG -0.0034 -0.0047 -0.0016 297 LEU 43 CD1 -0.0031 -0.0046 -0.0016 298 LEU 43 CD2 -0.0040 -0.0049 -0.0016 299 LEU 44 N -0.0023 -0.0039 -0.0018 300 LEU 44 CA -0.0022 -0.0033 -0.0019 301 LEU 44 C -0.0026 -0.0029 -0.0020 302 LEU 44 O -0.0027 -0.0029 -0.0020 303 LEU 44 CB -0.0016 -0.0031 -0.0019 304 LEU 44 CG -0.0014 -0.0025 -0.0020 305 LEU 44 CD1 -0.0016 -0.0023 -0.0021 306 LEU 44 CD2 -0.0008 -0.0023 -0.0020 307 CYS 45 N 0.0026 -0.0070 -0.0012 308 CYS 45 CA 0.0021 -0.0062 -0.0011 309 CYS 45 C 0.0022 -0.0053 -0.0010 310 CYS 45 O 0.0023 -0.0053 -0.0010 311 CYS 45 CB 0.0011 -0.0065 -0.0011 312 CYS 45 SG 0.0004 -0.0055 -0.0009 313 PHE 46 N 0.0023 -0.0045 -0.0009 314 PHE 46 CA 0.0025 -0.0036 -0.0007 315 PHE 46 C 0.0017 -0.0029 -0.0006 316 PHE 46 O 0.0015 -0.0030 -0.0006 317 PHE 46 CB 0.0035 -0.0032 -0.0007 318 PHE 46 CG 0.0037 -0.0023 -0.0006 319 PHE 46 CD1 0.0035 -0.0020 -0.0006 320 PHE 46 CD2 0.0040 -0.0016 -0.0005 321 PHE 46 CE1 0.0037 -0.0012 -0.0005 322 PHE 46 CE2 0.0042 -0.0007 -0.0004 323 PHE 46 CZ 0.0040 -0.0005 -0.0004 324 GLY 47 N 0.0031 -0.0033 0.0015 325 GLY 47 CA 0.0026 -0.0035 -0.0005 326 GLY 47 C 0.0042 -0.0028 -0.0020 327 GLY 47 O 0.0059 -0.0022 -0.0014 328 ASN 48 N 0.0038 -0.0030 -0.0040 329 ASN 48 CA 0.0052 -0.0024 -0.0056 330 ASN 48 C 0.0068 -0.0018 -0.0052 331 ASN 48 O 0.0084 -0.0012 -0.0056 332 ASN 48 CB 0.0060 -0.0021 -0.0058 333 ASN 48 CG 0.0068 -0.0017 -0.0080 334 ASN 48 ND2 0.0084 -0.0011 -0.0081 335 ASN 48 OD1 0.0061 -0.0020 -0.0095 336 SER 49 N 0.0021 0.0060 -0.0074 337 SER 49 CA 0.0053 0.0058 -0.0078 338 SER 49 C 0.0064 0.0035 -0.0065 339 SER 49 O 0.0084 0.0035 -0.0069 340 SER 49 CB 0.0063 0.0081 -0.0095 341 SER 49 OG 0.0068 0.0099 -0.0108 342 ILE 50 N 0.0050 0.0014 -0.0050 343 ILE 50 CA 0.0059 -0.0009 -0.0036 344 ILE 50 C 0.0058 -0.0029 -0.0023 345 ILE 50 O 0.0037 -0.0030 -0.0019 346 ILE 50 CB 0.0040 -0.0014 -0.0029 347 ILE 50 CG1 0.0051 -0.0003 -0.0039 348 ILE 50 CG2 0.0038 -0.0041 -0.0011 349 ILE 50 CD1 0.0033 -0.0006 -0.0033 350 PHE 51 N 0.0041 -0.0013 -0.0018 351 PHE 51 CA 0.0045 -0.0024 -0.0019 352 PHE 51 C 0.0038 -0.0033 -0.0022 353 PHE 51 O 0.0033 -0.0030 -0.0022 354 PHE 51 CB 0.0057 -0.0026 -0.0018 355 PHE 51 CG 0.0067 -0.0020 -0.0016 356 PHE 51 CD1 0.0070 -0.0025 -0.0016 357 PHE 51 CD2 0.0072 -0.0011 -0.0013 358 PHE 51 CE1 0.0079 -0.0020 -0.0014 359 PHE 51 CE2 0.0081 -0.0006 -0.0011 360 PHE 51 CZ 0.0084 -0.0010 -0.0012 361 LEU 52 N 0.0036 -0.0042 -0.0024 362 LEU 52 CA 0.0030 -0.0052 -0.0027 363 LEU 52 C 0.0037 -0.0062 -0.0028 364 LEU 52 O 0.0038 -0.0065 -0.0028 365 LEU 52 CB 0.0018 -0.0052 -0.0028 366 LEU 52 CG 0.0012 -0.0063 -0.0031 367 LEU 52 CD1 0.0008 -0.0065 -0.0032 368 LEU 52 CD2 0.0002 -0.0064 -0.0033 369 GLN 53 N -0.0020 -0.0055 -0.0050 370 GLN 53 CA -0.0022 -0.0056 -0.0045 371 GLN 53 C -0.0020 -0.0055 -0.0041 372 GLN 53 O -0.0015 -0.0054 -0.0041 373 GLN 53 CB -0.0021 -0.0056 -0.0045 374 GLN 53 CG -0.0023 -0.0056 -0.0040 375 GLN 53 CD -0.0023 -0.0056 -0.0040 376 GLN 53 NE2 -0.0026 -0.0057 -0.0037 377 GLN 53 OE1 -0.0021 -0.0056 -0.0042 378 ILE 54 N -0.0022 -0.0056 -0.0037 379 ILE 54 CA -0.0021 -0.0056 -0.0033 380 ILE 54 C -0.0022 -0.0056 -0.0028 381 ILE 54 O -0.0026 -0.0057 -0.0028 382 ILE 54 CB -0.0023 -0.0056 -0.0032 383 ILE 54 CG1 -0.0022 -0.0056 -0.0027 384 ILE 54 CG2 -0.0028 -0.0058 -0.0033 385 ILE 54 CD1 -0.0023 -0.0056 -0.0026 386 LEU 55 N -0.0066 -0.0021 -0.0048 387 LEU 55 CA -0.0071 -0.0018 -0.0038 388 LEU 55 C -0.0067 -0.0010 -0.0033 389 LEU 55 O -0.0059 -0.0005 -0.0036 390 LEU 55 CB -0.0071 -0.0015 -0.0034 391 LEU 55 CG -0.0077 -0.0022 -0.0036 392 LEU 55 CD1 -0.0071 -0.0019 -0.0039 393 LEU 55 CD2 -0.0085 -0.0024 -0.0027 394 GLU 56 N -0.0073 -0.0010 -0.0025 395 GLU 56 CA -0.0070 -0.0002 -0.0019 396 GLU 56 C -0.0076 0.0001 -0.0008 397 GLU 56 O -0.0084 -0.0005 -0.0005 398 GLU 56 CB -0.0072 -0.0005 -0.0021 399 GLU 56 CG -0.0067 -0.0009 -0.0032 400 GLU 56 CD -0.0065 -0.0009 -0.0033 401 GLU 56 OE1 -0.0071 -0.0010 -0.0027 402 GLU 56 OE2 -0.0058 -0.0008 -0.0040 403 GLY 57 N -0.0101 0.0011 -0.0012 404 GLY 57 CA -0.0104 0.0013 0.0005 405 GLY 57 C -0.0089 0.0024 0.0014 406 GLY 57 O -0.0078 0.0029 0.0009 407 SER 58 N -0.0089 0.0027 0.0026 408 SER 58 CA -0.0075 0.0037 0.0035 409 SER 58 C -0.0063 0.0041 0.0023 410 SER 58 O -0.0066 0.0036 0.0010 411 SER 58 CB -0.0080 0.0039 0.0052 412 SER 58 OG -0.0084 0.0036 0.0048 413 ARG 59 N -0.0041 0.0022 0.0003 414 ARG 59 CA -0.0031 0.0040 -0.0007 415 ARG 59 C -0.0026 0.0045 0.0002 416 ARG 59 O -0.0025 0.0050 -0.0011 417 ARG 59 CB -0.0020 0.0055 -0.0003 418 ARG 59 CG -0.0011 0.0073 -0.0019 419 ARG 59 CD -0.0002 0.0086 -0.0017 420 ARG 59 NE 0.0007 0.0092 0.0005 421 ARG 59 CZ 0.0015 0.0101 0.0012 422 ARG 59 NH1 0.0015 0.0106 -0.0000 423 ARG 59 NH2 0.0024 0.0106 0.0033 424 GLN 60 N -0.0022 0.0043 0.0024 425 GLN 60 CA -0.0016 0.0048 0.0034 426 GLN 60 C -0.0026 0.0036 0.0028 427 GLN 60 O -0.0022 0.0043 0.0023 428 GLN 60 CB -0.0010 0.0048 0.0059 429 GLN 60 CG -0.0003 0.0055 0.0070 430 GLN 60 CD -0.0011 0.0040 0.0080 431 GLN 60 NE2 -0.0013 0.0031 0.0099 432 GLN 60 OE1 -0.0016 0.0036 0.0069 433 ALA 61 N -0.0038 0.0013 0.0036 434 ALA 61 CA -0.0050 0.0006 0.0028 435 ALA 61 C -0.0050 0.0007 0.0010 436 ALA 61 O -0.0052 0.0006 0.0001 437 ALA 61 CB -0.0064 -0.0002 0.0035 438 ILE 62 N -0.0048 0.0009 0.0003 439 ILE 62 CA -0.0047 0.0010 -0.0015 440 ILE 62 C -0.0036 0.0017 -0.0022 441 ILE 62 O -0.0037 0.0017 -0.0034 442 ILE 62 CB -0.0046 0.0011 -0.0019 443 ILE 62 CG1 -0.0058 0.0003 -0.0014 444 ILE 62 CG2 -0.0044 0.0013 -0.0037 445 ILE 62 CD1 -0.0054 0.0005 -0.0010 446 SER 63 N -0.0013 0.0025 -0.0006 447 SER 63 CA -0.0004 0.0035 -0.0010 448 SER 63 C -0.0001 0.0036 -0.0009 449 SER 63 O 0.0001 0.0041 -0.0017 450 SER 63 CB 0.0006 0.0039 -0.0003 451 SER 63 OG 0.0004 0.0038 -0.0004 452 HIS 64 N -0.0003 0.0030 0.0001 453 HIS 64 CA -0.0001 0.0030 0.0003 454 HIS 64 C -0.0009 0.0028 -0.0005 455 HIS 64 O -0.0006 0.0032 -0.0010 456 HIS 64 CB -0.0000 0.0024 0.0016 457 HIS 64 CG -0.0002 0.0022 0.0018 458 HIS 64 CD2 -0.0010 0.0014 0.0022 459 HIS 64 ND1 0.0004 0.0028 0.0017 460 HIS 64 CE1 0.0001 0.0024 0.0019 461 HIS 64 NE2 -0.0008 0.0015 0.0023 462 THR 65 N -0.0015 0.0010 -0.0008 463 THR 65 CA -0.0024 0.0007 -0.0018 464 THR 65 C -0.0018 0.0007 -0.0030 465 THR 65 O -0.0021 0.0004 -0.0040 466 THR 65 CB -0.0033 0.0006 -0.0014 467 THR 65 CG2 -0.0039 0.0003 -0.0025 468 THR 65 OG1 -0.0043 0.0005 -0.0007 469 TYR 66 N -0.0008 0.0009 -0.0030 470 TYR 66 CA -0.0001 0.0009 -0.0041 471 TYR 66 C 0.0005 0.0009 -0.0047 472 TYR 66 O 0.0006 0.0008 -0.0058 473 TYR 66 CB 0.0008 0.0011 -0.0038 474 TYR 66 CG 0.0015 0.0011 -0.0050 475 TYR 66 CD1 0.0009 0.0008 -0.0060 476 TYR 66 CD2 0.0028 0.0013 -0.0050 477 TYR 66 CE1 0.0015 0.0008 -0.0070 478 TYR 66 CE2 0.0034 0.0013 -0.0061 479 TYR 66 CZ 0.0028 0.0011 -0.0070 480 TYR 66 OH 0.0034 0.0010 -0.0081 481 HIS 67 N 0.0042 0.0044 -0.0026 482 HIS 67 CA 0.0052 0.0049 -0.0030 483 HIS 67 C 0.0042 0.0045 -0.0036 484 HIS 67 O 0.0047 0.0048 -0.0048 485 HIS 67 CB 0.0061 0.0052 -0.0013 486 HIS 67 CG 0.0069 0.0055 -0.0014 487 HIS 67 CD2 0.0078 0.0060 -0.0027 488 HIS 67 ND1 0.0070 0.0054 -0.0000 489 HIS 67 CE1 0.0078 0.0058 -0.0004 490 HIS 67 NE2 0.0083 0.0061 -0.0020 491 ARG 68 N 0.0028 0.0039 -0.0028 492 ARG 68 CA 0.0018 0.0035 -0.0034 493 ARG 68 C 0.0011 0.0033 -0.0052 494 ARG 68 O 0.0009 0.0033 -0.0063 495 ARG 68 CB 0.0005 0.0028 -0.0022 496 ARG 68 CG 0.0009 0.0029 -0.0007 497 ARG 68 CD -0.0004 0.0022 0.0006 498 ARG 68 NE -0.0020 0.0016 -0.0002 499 ARG 68 CZ -0.0031 0.0010 0.0005 500 ARG 68 NH1 -0.0029 0.0010 0.0020 501 ARG 68 NH2 -0.0045 0.0005 -0.0004 502 ILE 69 N 0.0065 0.0004 -0.0036 503 ILE 69 CA 0.0056 0.0010 -0.0044 504 ILE 69 C 0.0056 0.0028 -0.0047 505 ILE 69 O 0.0054 0.0037 -0.0049 506 ILE 69 CB 0.0043 0.0001 -0.0052 507 ILE 69 CG1 0.0041 -0.0014 -0.0051 508 ILE 69 CG2 0.0032 0.0011 -0.0061 509 ILE 69 CD1 0.0028 -0.0022 -0.0059 510 LEU 70 N 0.0056 0.0033 -0.0047 511 LEU 70 CA 0.0056 0.0050 -0.0050 512 LEU 70 C 0.0067 0.0060 -0.0044 513 LEU 70 O 0.0065 0.0074 -0.0047 514 LEU 70 CB 0.0056 0.0053 -0.0050 515 LEU 70 CG 0.0043 0.0051 -0.0059 516 LEU 70 CD1 0.0045 0.0053 -0.0058 517 LEU 70 CD2 0.0034 0.0062 -0.0067 518 GLN 71 N 0.0099 0.0093 -0.0007 519 GLN 71 CA 0.0103 0.0096 0.0003 520 GLN 71 C 0.0113 0.0097 0.0010 521 GLN 71 O 0.0117 0.0100 0.0019 522 GLN 71 CB 0.0106 0.0094 -0.0001 523 GLN 71 CG 0.0096 0.0093 -0.0007 524 GLN 71 CD 0.0100 0.0090 -0.0013 525 GLN 71 NE2 0.0101 0.0093 -0.0006 526 GLN 71 OE1 0.0102 0.0085 -0.0023 527 ASP 72 N 0.0118 0.0095 0.0007 528 ASP 72 CA 0.0128 0.0096 0.0015 529 ASP 72 C 0.0123 0.0101 0.0025 530 ASP 72 O 0.0113 0.0103 0.0025 531 ASP 72 CB 0.0133 0.0091 0.0008 532 ASP 72 CG 0.0147 0.0090 0.0011 533 ASP 72 OD1 0.0150 0.0093 0.0021 534 ASP 72 OD2 0.0154 0.0085 0.0004 535 PRO 73 N 0.0174 0.0117 0.0021 536 PRO 73 CA 0.0187 0.0092 -0.0003 537 PRO 73 C 0.0188 0.0080 -0.0016 538 PRO 73 O 0.0195 0.0058 -0.0037 539 PRO 73 CB 0.0162 0.0079 -0.0016 540 PRO 73 CG 0.0131 0.0094 -0.0000 541 PRO 73 CD 0.0137 0.0117 0.0022 542 ARG 74 N 0.0181 0.0093 -0.0003 543 ARG 74 CA 0.0181 0.0082 -0.0013 544 ARG 74 C 0.0215 0.0084 -0.0012 545 ARG 74 O 0.0218 0.0076 -0.0020 546 ARG 74 CB 0.0153 0.0094 -0.0001 547 ARG 74 CG 0.0117 0.0087 -0.0007 548 ARG 74 CD 0.0091 0.0094 0.0000 549 ARG 74 NE 0.0079 0.0119 0.0025 550 ARG 74 CZ 0.0055 0.0125 0.0031 551 ARG 74 NH1 0.0040 0.0108 0.0015 552 ARG 74 NH2 0.0046 0.0147 0.0054 553 HIS 75 N 0.0164 0.0070 -0.0010 554 HIS 75 CA 0.0156 0.0071 -0.0016 555 HIS 75 C 0.0166 0.0078 -0.0015 556 HIS 75 O 0.0178 0.0079 -0.0009 557 HIS 75 CB 0.0147 0.0058 -0.0011 558 HIS 75 CG 0.0154 0.0050 0.0000 559 HIS 75 CD2 0.0168 0.0051 0.0007 560 HIS 75 ND1 0.0148 0.0039 0.0005 561 HIS 75 CE1 0.0157 0.0033 0.0015 562 HIS 75 NE2 0.0169 0.0040 0.0017 563 HIS 76 N 0.0161 0.0082 -0.0021 564 HIS 76 CA 0.0169 0.0089 -0.0022 565 HIS 76 C 0.0160 0.0087 -0.0026 566 HIS 76 O 0.0148 0.0082 -0.0029 567 HIS 76 CB 0.0175 0.0102 -0.0029 568 HIS 76 CG 0.0165 0.0109 -0.0041 569 HIS 76 CD2 0.0164 0.0119 -0.0050 570 HIS 76 ND1 0.0154 0.0104 -0.0043 571 HIS 76 CE1 0.0147 0.0112 -0.0054 572 HIS 76 NE2 0.0152 0.0121 -0.0058 573 SER 77 N 0.0103 0.0069 -0.0032 574 SER 77 CA 0.0086 0.0067 -0.0040 575 SER 77 C 0.0084 0.0051 -0.0049 576 SER 77 O 0.0074 0.0048 -0.0055 577 SER 77 CB 0.0077 0.0078 -0.0038 578 SER 77 OG 0.0078 0.0093 -0.0029 579 ALA 78 N 0.0093 0.0041 -0.0051 580 ALA 78 CA 0.0092 0.0025 -0.0060 581 ALA 78 C 0.0077 0.0022 -0.0068 582 ALA 78 O 0.0072 0.0029 -0.0066 583 ALA 78 CB 0.0106 0.0015 -0.0059 584 GLU 79 N 0.0031 -0.0024 -0.0060 585 GLU 79 CA 0.0025 -0.0021 -0.0069 586 GLU 79 C 0.0027 -0.0027 -0.0077 587 GLU 79 O 0.0034 -0.0035 -0.0079 588 GLU 79 CB 0.0022 -0.0019 -0.0073 589 GLU 79 CG 0.0017 -0.0011 -0.0067 590 GLU 79 CD 0.0014 -0.0009 -0.0070 591 GLU 79 OE1 0.0015 -0.0007 -0.0064 592 GLU 79 OE2 0.0011 -0.0010 -0.0080 593 ILE 80 N 0.0023 -0.0025 -0.0083 594 ILE 80 CA 0.0025 -0.0030 -0.0092 595 ILE 80 C 0.0021 -0.0031 -0.0102 596 ILE 80 O 0.0014 -0.0025 -0.0104 597 ILE 80 CB 0.0021 -0.0027 -0.0093 598 ILE 80 CG1 0.0024 -0.0026 -0.0082 599 ILE 80 CG2 0.0024 -0.0034 -0.0101 600 ILE 80 CD1 0.0020 -0.0021 -0.0082 601 ILE 81 N 0.0005 -0.0084 -0.0089 602 ILE 81 CA 0.0012 -0.0082 -0.0089 603 ILE 81 C 0.0010 -0.0076 -0.0098 604 ILE 81 O 0.0008 -0.0077 -0.0099 605 ILE 81 CB 0.0024 -0.0081 -0.0086 606 ILE 81 CG1 0.0027 -0.0087 -0.0076 607 ILE 81 CG2 0.0031 -0.0077 -0.0090 608 ILE 81 CD1 0.0037 -0.0086 -0.0073 609 ALA 82 N 0.0011 -0.0071 -0.0106 610 ALA 82 CA 0.0010 -0.0065 -0.0115 611 ALA 82 C 0.0005 -0.0061 -0.0122 612 ALA 82 O 0.0007 -0.0061 -0.0122 613 ALA 82 CB 0.0020 -0.0061 -0.0117 614 PHE 83 N -0.0015 -0.0001 -0.0116 615 PHE 83 CA -0.0025 0.0006 -0.0101 616 PHE 83 C -0.0018 0.0020 -0.0098 617 PHE 83 O -0.0010 0.0032 -0.0099 618 PHE 83 CB -0.0029 0.0010 -0.0093 619 PHE 83 CG -0.0039 0.0017 -0.0077 620 PHE 83 CD1 -0.0035 0.0033 -0.0070 621 PHE 83 CD2 -0.0052 0.0007 -0.0069 622 PHE 83 CE1 -0.0043 0.0039 -0.0056 623 PHE 83 CE2 -0.0061 0.0013 -0.0055 624 PHE 83 CZ -0.0057 0.0029 -0.0048 625 ASP 84 N -0.0022 0.0018 -0.0096 626 ASP 84 CA -0.0015 0.0031 -0.0094 627 ASP 84 C -0.0024 0.0032 -0.0083 628 ASP 84 O -0.0034 0.0020 -0.0080 629 ASP 84 CB -0.0004 0.0028 -0.0108 630 ASP 84 CG -0.0008 0.0011 -0.0116 631 ASP 84 OD1 -0.0010 0.0001 -0.0121 632 ASP 84 OD2 -0.0010 0.0007 -0.0117 633 PRO 85 N -0.0036 0.0068 -0.0072 634 PRO 85 CA -0.0046 0.0070 -0.0059 635 PRO 85 C -0.0047 0.0064 -0.0065 636 PRO 85 O -0.0036 0.0064 -0.0077 637 PRO 85 CB -0.0039 0.0088 -0.0049 638 PRO 85 CG -0.0024 0.0095 -0.0058 639 PRO 85 CD -0.0021 0.0083 -0.0073 640 VAL 86 N -0.0060 0.0058 -0.0057 641 VAL 86 CA -0.0063 0.0050 -0.0061 642 VAL 86 C -0.0070 0.0057 -0.0048 643 VAL 86 O -0.0076 0.0064 -0.0034 644 VAL 86 CB -0.0073 0.0033 -0.0069 645 VAL 86 CG1 -0.0063 0.0026 -0.0085 646 VAL 86 CG2 -0.0085 0.0029 -0.0060 647 LEU 87 N -0.0100 0.0076 -0.0085 648 LEU 87 CA -0.0096 0.0052 -0.0084 649 LEU 87 C -0.0087 0.0029 -0.0069 650 LEU 87 O -0.0077 0.0018 -0.0052 651 LEU 87 CB -0.0109 0.0042 -0.0110 652 LEU 87 CG -0.0110 0.0025 -0.0115 653 LEU 87 CD1 -0.0123 0.0017 -0.0143 654 LEU 87 CD2 -0.0099 -0.0001 -0.0100 655 GLN 88 N -0.0089 0.0021 -0.0075 656 GLN 88 CA -0.0080 -0.0001 -0.0062 657 GLN 88 C -0.0078 0.0007 -0.0057 658 GLN 88 O -0.0087 0.0024 -0.0070 659 GLN 88 CB -0.0085 -0.0029 -0.0078 660 GLN 88 CG -0.0098 -0.0027 -0.0104 661 GLN 88 CD -0.0103 -0.0055 -0.0119 662 GLN 88 NE2 -0.0114 -0.0057 -0.0141 663 GLN 88 OE1 -0.0097 -0.0075 -0.0111 664 ARG 89 N -0.0082 0.0029 -0.0044 665 ARG 89 CA -0.0081 0.0021 -0.0037 666 ARG 89 C -0.0070 0.0016 -0.0037 667 ARG 89 O -0.0064 0.0019 -0.0042 668 ARG 89 CB -0.0085 0.0018 -0.0032 669 ARG 89 CG -0.0093 0.0024 -0.0034 670 ARG 89 CD -0.0095 0.0021 -0.0031 671 ARG 89 NE -0.0102 0.0017 -0.0024 672 ARG 89 CZ -0.0111 0.0020 -0.0023 673 ARG 89 NH1 -0.0114 0.0027 -0.0028 674 ARG 89 NH2 -0.0117 0.0016 -0.0016 675 GLU 90 N -0.0069 0.0009 -0.0031 676 GLU 90 CA -0.0060 0.0004 -0.0030 677 GLU 90 C -0.0059 -0.0003 -0.0024 678 GLU 90 O -0.0051 -0.0008 -0.0023 679 GLU 90 CB -0.0057 0.0002 -0.0030 680 GLU 90 CG -0.0057 0.0009 -0.0036 681 GLU 90 CD -0.0051 0.0007 -0.0037 682 GLU 90 OE1 -0.0053 0.0004 -0.0033 683 GLU 90 OE2 -0.0043 0.0009 -0.0042 684 PHE 91 N -0.0061 0.0003 -0.0025 685 PHE 91 CA -0.0067 -0.0005 -0.0024 686 PHE 91 C -0.0079 0.0004 -0.0029 687 PHE 91 O -0.0091 -0.0002 -0.0030 688 PHE 91 CB -0.0072 -0.0020 -0.0021 689 PHE 91 CG -0.0060 -0.0029 -0.0016 690 PHE 91 CD1 -0.0053 -0.0037 -0.0013 691 PHE 91 CD2 -0.0057 -0.0029 -0.0016 692 PHE 91 CE1 -0.0042 -0.0045 -0.0008 693 PHE 91 CE2 -0.0046 -0.0038 -0.0011 694 PHE 91 CZ -0.0039 -0.0046 -0.0008 695 VAL 92 N -0.0076 0.0018 -0.0032 696 VAL 92 CA -0.0088 0.0027 -0.0036 697 VAL 92 C -0.0093 0.0023 -0.0037 698 VAL 92 O -0.0106 0.0024 -0.0040 699 VAL 92 CB -0.0082 0.0043 -0.0039 700 VAL 92 CG1 -0.0067 0.0044 -0.0037 701 VAL 92 CG2 -0.0092 0.0053 -0.0044 702 GLN 93 N -0.0079 0.0026 -0.0035 703 GLN 93 CA -0.0080 0.0024 -0.0034 704 GLN 93 C -0.0089 0.0016 -0.0031 705 GLN 93 O -0.0095 0.0016 -0.0032 706 GLN 93 CB -0.0068 0.0021 -0.0031 707 GLN 93 CG -0.0058 0.0026 -0.0032 708 GLN 93 CD -0.0054 0.0019 -0.0029 709 GLN 93 NE2 -0.0051 0.0025 -0.0031 710 GLN 93 OE1 -0.0054 0.0010 -0.0024 711 TRP 94 N -0.0090 0.0007 -0.0027 712 TRP 94 CA -0.0097 -0.0002 -0.0023 713 TRP 94 C -0.0108 -0.0002 -0.0025 714 TRP 94 O -0.0108 -0.0001 -0.0025 715 TRP 94 CB -0.0091 -0.0012 -0.0018 716 TRP 94 CG -0.0079 -0.0011 -0.0017 717 TRP 94 CD1 -0.0069 -0.0010 -0.0016 718 TRP 94 CD2 -0.0076 -0.0013 -0.0016 719 TRP 94 CE2 -0.0064 -0.0012 -0.0015 720 TRP 94 CE3 -0.0082 -0.0014 -0.0016 721 TRP 94 NE1 -0.0060 -0.0010 -0.0015 722 TRP 94 CZ2 -0.0058 -0.0013 -0.0014 723 TRP 94 CZ3 -0.0077 -0.0015 -0.0015 724 TRP 94 CH2 -0.0065 -0.0015 -0.0014 725 SER 95 N -0.0113 0.0007 -0.0006 726 SER 95 CA -0.0116 0.0006 -0.0006 727 SER 95 C -0.0115 0.0002 -0.0005 728 SER 95 O -0.0115 0.0002 -0.0006 729 SER 95 CB -0.0121 0.0006 -0.0005 730 SER 95 OG -0.0123 0.0011 -0.0005 731 MET 96 N -0.0114 -0.0002 -0.0005 732 MET 96 CA -0.0112 -0.0006 -0.0005 733 MET 96 C -0.0111 -0.0010 -0.0005 734 MET 96 O -0.0114 -0.0011 -0.0005 735 MET 96 CB -0.0116 -0.0009 -0.0005 736 MET 96 CG -0.0113 -0.0011 -0.0005 737 MET 96 SD -0.0111 -0.0006 -0.0006 738 MET 96 CE -0.0117 -0.0004 -0.0005 739 LYS 97 N -0.0047 -0.0005 0.0005 740 LYS 97 CA -0.0050 -0.0010 0.0001 741 LYS 97 C -0.0050 -0.0004 -0.0006 742 LYS 97 O -0.0049 0.0004 -0.0009 743 LYS 97 CB -0.0053 -0.0018 -0.0005 744 LYS 97 CG -0.0056 -0.0026 -0.0008 745 LYS 97 CD -0.0055 -0.0029 -0.0000 746 LYS 97 CE -0.0058 -0.0039 -0.0002 747 LYS 97 NZ -0.0056 -0.0042 0.0005 748 LEU 98 N -0.0051 -0.0007 -0.0007 749 LEU 98 CA -0.0052 -0.0001 -0.0013 750 LEU 98 C -0.0056 -0.0006 -0.0022 751 LEU 98 O -0.0058 -0.0015 -0.0022 752 LEU 98 CB -0.0050 -0.0000 -0.0008 753 LEU 98 CG -0.0049 0.0008 -0.0011 754 LEU 98 CD1 -0.0052 0.0006 -0.0020 755 LEU 98 CD2 -0.0047 0.0017 -0.0012 756 VAL 99 N 0.0046 -0.0044 -0.0033 757 VAL 99 CA 0.0047 -0.0040 -0.0026 758 VAL 99 C 0.0042 -0.0038 -0.0017 759 VAL 99 O 0.0035 -0.0042 -0.0015 760 VAL 99 CB 0.0042 -0.0044 -0.0028 761 VAL 99 CG1 0.0040 -0.0040 -0.0019 762 VAL 99 CG2 0.0048 -0.0044 -0.0036 763 GLN 100 N 0.0047 -0.0032 -0.0011 764 GLN 100 CA 0.0043 -0.0029 -0.0001 765 GLN 100 C 0.0041 -0.0027 0.0005 766 GLN 100 O 0.0045 -0.0025 0.0004 767 GLN 100 CB 0.0050 -0.0024 0.0001 768 GLN 100 CG 0.0047 -0.0020 0.0012 769 GLN 100 CD 0.0048 -0.0019 0.0013 770 GLN 100 NE2 0.0043 -0.0018 0.0021 771 GLN 100 OE1 0.0052 -0.0020 0.0007 772 ILE 101 N 0.0112 -0.0045 0.0030 773 ILE 101 CA 0.0095 -0.0040 0.0045 774 ILE 101 C 0.0105 -0.0014 0.0104 775 ILE 101 O 0.0073 -0.0006 0.0129 776 ILE 101 CB 0.0031 -0.0050 0.0030 777 ILE 101 CG1 -0.0009 -0.0043 0.0054 778 ILE 101 CG2 0.0025 -0.0076 -0.0031 779 ILE 101 CD1 -0.0043 -0.0024 0.0104 780 ASP 102 N 0.0149 -0.0002 0.0127 781 ASP 102 CA 0.0163 0.0023 0.0184 782 ASP 102 C 0.0168 0.0030 0.0201 783 ASP 102 O 0.0133 0.0042 0.0234 784 ASP 102 CB 0.0220 0.0031 0.0195 785 ASP 102 CG 0.0266 0.0016 0.0152 786 ASP 102 OD1 0.0256 0.0000 0.0115 787 ASP 102 OD2 0.0314 0.0020 0.0154 788 SER 105 N 0.0269 0.0139 0.0263 789 SER 105 CA 0.0250 0.0064 0.0227 790 SER 105 C 0.0194 0.0044 0.0213 791 SER 105 O 0.0144 0.0087 0.0228 792 SER 105 CB 0.0214 0.0050 0.0217 793 SER 105 OG 0.0134 0.0069 0.0218 794 PRO 106 N 0.0202 -0.0022 0.0184 795 PRO 106 CA 0.0147 -0.0047 0.0167 796 PRO 106 C 0.0066 -0.0046 0.0160 797 PRO 106 O 0.0054 -0.0056 0.0155 798 PRO 106 CB 0.0178 -0.0123 0.0136 799 PRO 106 CG 0.0233 -0.0142 0.0132 800 PRO 106 CD 0.0266 -0.0074 0.0166 801 GLU 107 N -0.0069 -0.0056 0.0107 802 GLU 107 CA -0.0107 -0.0035 0.0085 803 GLU 107 C -0.0111 -0.0081 0.0092 804 GLU 107 O -0.0131 -0.0063 0.0080 805 GLU 107 CB -0.0170 -0.0027 0.0054 806 GLU 107 CG -0.0201 -0.0088 0.0052 807 GLU 107 CD -0.0239 -0.0126 0.0042 808 GLU 107 OE1 -0.0269 -0.0096 0.0022 809 GLU 107 OE2 -0.0240 -0.0187 0.0053 810 LYS 108 N -0.0093 -0.0140 0.0113 811 LYS 108 CA -0.0094 -0.0186 0.0121 812 LYS 108 C -0.0049 -0.0163 0.0138 813 LYS 108 O -0.0059 -0.0174 0.0136 814 LYS 108 CB -0.0084 -0.0253 0.0140 815 LYS 108 CG -0.0136 -0.0286 0.0122 816 LYS 108 CD -0.0191 -0.0300 0.0099 817 LYS 108 CE -0.0175 -0.0332 0.0113 818 LYS 108 NZ -0.0158 -0.0399 0.0134 819 MET 109 N -0.0013 -0.0080 0.0096 820 MET 109 CA 0.0009 -0.0084 0.0093 821 MET 109 C -0.0019 -0.0067 0.0097 822 MET 109 O -0.0022 -0.0087 0.0096 823 MET 109 CB 0.0052 -0.0061 0.0089 824 MET 109 CG 0.0089 -0.0090 0.0084 825 MET 109 SD 0.0138 -0.0062 0.0079 826 MET 109 CE 0.0171 -0.0104 0.0074 827 ARG 110 N -0.0039 -0.0030 0.0100 828 ARG 110 CA -0.0068 -0.0013 0.0104 829 ARG 110 C -0.0107 -0.0041 0.0108 830 ARG 110 O -0.0125 -0.0044 0.0110 831 ARG 110 CB -0.0080 0.0033 0.0107 832 ARG 110 CG -0.0041 0.0062 0.0103 833 ARG 110 CD -0.0055 0.0107 0.0106 834 ARG 110 NE -0.0043 0.0120 0.0106 835 ARG 110 CZ -0.0070 0.0127 0.0109 836 ARG 110 NH1 -0.0112 0.0125 0.0114 837 ARG 110 NH2 -0.0055 0.0138 0.0108 838 ARG 111 N -0.0094 -0.0046 0.0067 839 ARG 111 CA -0.0118 -0.0066 0.0064 840 ARG 111 C -0.0096 -0.0080 0.0081 841 ARG 111 O -0.0104 -0.0076 0.0075 842 ARG 111 CB -0.0143 -0.0097 0.0066 843 ARG 111 CG -0.0173 -0.0116 0.0060 844 ARG 111 CD -0.0199 -0.0091 0.0035 845 ARG 111 NE -0.0229 -0.0095 0.0022 846 ARG 111 CZ -0.0257 -0.0121 0.0020 847 ARG 111 NH1 -0.0260 -0.0146 0.0030 848 ARG 111 NH2 -0.0284 -0.0122 0.0007 849 LEU 112 N -0.0069 -0.0095 0.0101 850 LEU 112 CA -0.0046 -0.0107 0.0118 851 LEU 112 C -0.0026 -0.0075 0.0114 852 LEU 112 O -0.0019 -0.0078 0.0118 853 LEU 112 CB -0.0020 -0.0128 0.0141 854 LEU 112 CG -0.0038 -0.0163 0.0148 855 LEU 112 CD1 -0.0012 -0.0176 0.0166 856 LEU 112 CD2 -0.0052 -0.0192 0.0154 857 TYR 113 N -0.0035 -0.0072 0.0095 858 TYR 113 CA -0.0014 -0.0071 0.0083 859 TYR 113 C -0.0007 -0.0072 0.0082 860 TYR 113 O 0.0013 -0.0074 0.0086 861 TYR 113 CB -0.0017 -0.0067 0.0058 862 TYR 113 CG -0.0010 -0.0066 0.0056 863 TYR 113 CD1 0.0009 -0.0069 0.0066 864 TYR 113 CD2 -0.0023 -0.0063 0.0043 865 TYR 113 CE1 0.0016 -0.0069 0.0064 866 TYR 113 CE2 -0.0017 -0.0063 0.0041 867 TYR 113 CZ 0.0002 -0.0066 0.0051 868 TYR 113 OH 0.0009 -0.0066 0.0049 869 LEU 114 N -0.0023 -0.0070 0.0077 870 LEU 114 CA -0.0018 -0.0070 0.0076 871 LEU 114 C -0.0010 -0.0074 0.0099 872 LEU 114 O 0.0005 -0.0076 0.0100 873 LEU 114 CB -0.0038 -0.0067 0.0068 874 LEU 114 CG -0.0034 -0.0065 0.0055 875 LEU 114 CD1 -0.0027 -0.0061 0.0031 876 LEU 114 CD2 -0.0056 -0.0064 0.0055 877 LYS 115 N -0.0006 -0.0061 0.0101 878 LYS 115 CA -0.0003 -0.0068 0.0120 879 LYS 115 C 0.0013 -0.0081 0.0121 880 LYS 115 O 0.0019 -0.0089 0.0134 881 LYS 115 CB -0.0013 -0.0062 0.0128 882 LYS 115 CG -0.0010 -0.0070 0.0147 883 LYS 115 CD -0.0024 -0.0063 0.0161 884 LYS 115 CE -0.0036 -0.0052 0.0157 885 LYS 115 NZ -0.0031 -0.0055 0.0151 886 TYR 116 N 0.0020 -0.0083 0.0108 887 TYR 116 CA 0.0035 -0.0095 0.0109 888 TYR 116 C 0.0048 -0.0101 0.0095 889 TYR 116 O 0.0060 -0.0109 0.0092 890 TYR 116 CB 0.0036 -0.0095 0.0107 891 TYR 116 CG 0.0026 -0.0091 0.0122 892 TYR 116 CD1 0.0029 -0.0099 0.0139 893 TYR 116 CD2 0.0014 -0.0080 0.0118 894 TYR 116 CE1 0.0020 -0.0095 0.0153 895 TYR 116 CE2 0.0004 -0.0077 0.0131 896 TYR 116 CZ 0.0008 -0.0084 0.0149 897 TYR 116 OH -0.0002 -0.0081 0.0162 898 SER 117 N 0.0069 -0.0074 0.0101 899 SER 117 CA 0.0088 -0.0084 0.0079 900 SER 117 C 0.0092 -0.0089 0.0065 901 SER 117 O 0.0076 -0.0084 0.0067 902 SER 117 CB 0.0077 -0.0087 0.0057 903 SER 117 OG 0.0050 -0.0081 0.0050 904 GLY 118 N 0.0115 -0.0098 0.0052 905 GLY 118 CA 0.0121 -0.0104 0.0037 906 GLY 118 C 0.0114 -0.0110 0.0006 907 GLY 118 O 0.0119 -0.0114 -0.0008 908 GLU 119 N 0.0126 -0.0085 0.0003 909 GLU 119 CA 0.0120 -0.0089 -0.0024 910 GLU 119 C 0.0092 -0.0084 -0.0028 911 GLU 119 O 0.0078 -0.0079 -0.0012 912 GLU 119 CB 0.0133 -0.0093 -0.0032 913 GLU 119 CG 0.0158 -0.0100 -0.0044 914 GLU 119 CD 0.0180 -0.0100 -0.0025 915 GLU 119 OE1 0.0176 -0.0095 -0.0003 916 GLU 119 OE2 0.0202 -0.0106 -0.0033 917 VAL 120 N 0.0083 -0.0086 -0.0050 918 VAL 120 CA 0.0056 -0.0082 -0.0056 919 VAL 120 C 0.0046 -0.0082 -0.0060 920 VAL 120 O 0.0025 -0.0076 -0.0052 921 VAL 120 CB 0.0050 -0.0086 -0.0079 922 VAL 120 CG1 0.0048 -0.0084 -0.0070 923 VAL 120 CG2 0.0070 -0.0093 -0.0098 924 ALA 121 N 0.0070 -0.0068 -0.0057 925 ALA 121 CA 0.0063 -0.0069 -0.0055 926 ALA 121 C 0.0064 -0.0062 -0.0041 927 ALA 121 O 0.0072 -0.0057 -0.0035 928 ALA 121 CB 0.0067 -0.0072 -0.0065 929 PHE 122 N 0.0056 -0.0062 -0.0038 930 PHE 122 CA 0.0056 -0.0056 -0.0025 931 PHE 122 C 0.0068 -0.0053 -0.0025 932 PHE 122 O 0.0067 -0.0055 -0.0029 933 PHE 122 CB 0.0043 -0.0057 -0.0021 934 PHE 122 CG 0.0041 -0.0051 -0.0008 935 PHE 122 CD1 0.0046 -0.0045 0.0002 936 PHE 122 CD2 0.0035 -0.0051 -0.0004 937 PHE 122 CE1 0.0045 -0.0040 0.0014 938 PHE 122 CE2 0.0034 -0.0045 0.0008 939 PHE 122 CZ 0.0039 -0.0040 0.0017 940 MET 123 N 0.0076 -0.0060 -0.0023 941 MET 123 CA 0.0085 -0.0067 -0.0024 942 MET 123 C 0.0089 -0.0061 -0.0013 943 MET 123 O 0.0097 -0.0061 -0.0005 944 MET 123 CB 0.0096 -0.0074 -0.0025 945 MET 123 CG 0.0093 -0.0079 -0.0034 946 MET 123 SD 0.0104 -0.0090 -0.0040 947 MET 123 CE 0.0097 -0.0094 -0.0052 948 PRO 124 N 0.0083 -0.0057 -0.0013 949 PRO 124 CA 0.0085 -0.0052 -0.0003 950 PRO 124 C 0.0095 -0.0057 -0.0001 951 PRO 124 O 0.0099 -0.0053 0.0008 952 PRO 124 CB 0.0074 -0.0046 -0.0004 953 PRO 124 CG 0.0067 -0.0049 -0.0016 954 PRO 124 CD 0.0073 -0.0058 -0.0022 955 GLU 125 N 0.0098 -0.0054 -0.0027 956 GLU 125 CA 0.0100 -0.0062 -0.0027 957 GLU 125 C 0.0106 -0.0065 -0.0018 958 GLU 125 O 0.0109 -0.0071 -0.0016 959 GLU 125 CB 0.0099 -0.0071 -0.0033 960 GLU 125 CG 0.0102 -0.0076 -0.0031 961 GLU 125 CD 0.0099 -0.0072 -0.0034 962 GLU 125 OE1 0.0094 -0.0067 -0.0039 963 GLU 125 OE2 0.0102 -0.0073 -0.0030 964 THR 126 N 0.0109 -0.0061 -0.0012 965 THR 126 CA 0.0115 -0.0063 -0.0003 966 THR 126 C 0.0116 -0.0056 0.0003 967 THR 126 O 0.0121 -0.0056 0.0011 968 THR 126 CB 0.0117 -0.0065 -0.0000 969 THR 126 CG2 0.0116 -0.0073 -0.0006 970 THR 126 OG1 0.0114 -0.0056 -0.0001 971 MET 127 N 0.0085 -0.0098 0.0018 972 MET 127 CA 0.0082 -0.0097 0.0025 973 MET 127 C 0.0086 -0.0097 0.0032 974 MET 127 O 0.0088 -0.0097 0.0031 975 MET 127 CB 0.0074 -0.0095 0.0025 976 MET 127 CG 0.0070 -0.0095 0.0025 977 MET 127 SD 0.0061 -0.0093 0.0021 978 MET 127 CE 0.0055 -0.0092 0.0029 979 THR 128 N 0.0086 -0.0096 0.0039 980 THR 128 CA 0.0090 -0.0096 0.0046 981 THR 128 C 0.0085 -0.0095 0.0049 982 THR 128 O 0.0078 -0.0094 0.0048 983 THR 128 CB 0.0092 -0.0096 0.0052 984 THR 128 CG2 0.0095 -0.0097 0.0048 985 THR 128 OG1 0.0085 -0.0095 0.0056 986 PRO 129 N 0.0069 -0.0087 0.0012 987 PRO 129 CA 0.0058 -0.0080 0.0015 988 PRO 129 C 0.0050 -0.0071 0.0025 989 PRO 129 O 0.0038 -0.0066 0.0023 990 PRO 129 CB 0.0066 -0.0081 0.0021 991 PRO 129 CG 0.0081 -0.0088 0.0022 992 PRO 129 CD 0.0082 -0.0093 0.0013 993 ALA 130 N 0.0056 -0.0069 0.0036 994 ALA 130 CA 0.0048 -0.0061 0.0046 995 ALA 130 C 0.0039 -0.0059 0.0039 996 ALA 130 O 0.0027 -0.0052 0.0041 997 ALA 130 CB 0.0058 -0.0060 0.0058 998 GLN 131 N 0.0061 -0.0097 0.0088 999 GLN 131 CA 0.0049 -0.0089 0.0078 1000 GLN 131 C 0.0039 -0.0085 0.0061 1001 GLN 131 O 0.0024 -0.0074 0.0059 1002 GLN 131 CB 0.0057 -0.0097 0.0069 1003 GLN 131 CG 0.0061 -0.0097 0.0084 1004 GLN 131 CD 0.0073 -0.0108 0.0076 1005 GLN 131 NE2 0.0086 -0.0115 0.0089 1006 GLN 131 OE1 0.0071 -0.0109 0.0059 1007 CYS 132 N 0.0047 -0.0092 0.0050 1008 CYS 132 CA 0.0038 -0.0088 0.0035 1009 CYS 132 C 0.0026 -0.0078 0.0044 1010 CYS 132 O 0.0012 -0.0069 0.0036 1011 CYS 132 CB 0.0049 -0.0099 0.0024 1012 CYS 132 SG 0.0060 -0.0110 0.0007 1013 LEU 133 N 0.0002 -0.0095 0.0054 1014 LEU 133 CA -0.0000 -0.0085 0.0052 1015 LEU 133 C 0.0004 -0.0077 0.0056 1016 LEU 133 O 0.0000 -0.0071 0.0053 1017 LEU 133 CB 0.0001 -0.0081 0.0053 1018 LEU 133 CG -0.0001 -0.0070 0.0052 1019 LEU 133 CD1 -0.0009 -0.0068 0.0044 1020 LEU 133 CD2 -0.0000 -0.0068 0.0053 1021 GLN 134 N 0.0011 -0.0079 0.0063 1022 GLN 134 CA 0.0015 -0.0072 0.0067 1023 GLN 134 C 0.0013 -0.0073 0.0065 1024 GLN 134 O 0.0012 -0.0065 0.0064 1025 GLN 134 CB 0.0023 -0.0074 0.0075 1026 GLN 134 CG 0.0026 -0.0069 0.0079 1027 GLN 134 CD 0.0026 -0.0058 0.0079 1028 GLN 134 NE2 0.0026 -0.0053 0.0079 1029 GLN 134 OE1 0.0026 -0.0053 0.0079 1030 PHE 135 N 0.0010 -0.0086 0.0073 1031 PHE 135 CA 0.0008 -0.0083 0.0069 1032 PHE 135 C 0.0002 -0.0076 0.0056 1033 PHE 135 O 0.0001 -0.0066 0.0053 1034 PHE 135 CB 0.0008 -0.0096 0.0069 1035 PHE 135 CG 0.0005 -0.0095 0.0062 1036 PHE 135 CD1 0.0005 -0.0083 0.0062 1037 PHE 135 CD2 0.0002 -0.0106 0.0054 1038 PHE 135 CE1 0.0002 -0.0083 0.0056 1039 PHE 135 CE2 -0.0002 -0.0105 0.0047 1040 PHE 135 CZ -0.0001 -0.0093 0.0048 1041 MET 136 N -0.0002 -0.0082 0.0047 1042 MET 136 CA -0.0007 -0.0076 0.0035 1043 MET 136 C -0.0007 -0.0061 0.0035 1044 MET 136 O -0.0011 -0.0053 0.0027 1045 MET 136 CB -0.0011 -0.0085 0.0027 1046 MET 136 CG -0.0014 -0.0097 0.0019 1047 MET 136 SD -0.0016 -0.0096 0.0014 1048 MET 136 CE -0.0020 -0.0080 0.0005 1049 ILE 137 N -0.0014 -0.0069 0.0054 1050 ILE 137 CA -0.0011 -0.0058 0.0052 1051 ILE 137 C -0.0004 -0.0055 0.0057 1052 ILE 137 O -0.0004 -0.0048 0.0053 1053 ILE 137 CB -0.0007 -0.0053 0.0053 1054 ILE 137 CG1 -0.0014 -0.0054 0.0046 1055 ILE 137 CG2 -0.0001 -0.0042 0.0053 1056 ILE 137 CD1 -0.0011 -0.0051 0.0047 1057 ASP 138 N 0.0002 -0.0060 0.0064 1058 ASP 138 CA 0.0010 -0.0056 0.0070 1059 ASP 138 C 0.0008 -0.0057 0.0068 1060 ASP 138 O 0.0013 -0.0052 0.0071 1061 ASP 138 CB 0.0016 -0.0062 0.0078 1062 ASP 138 CG 0.0020 -0.0060 0.0081 1063 ASP 138 OD1 0.0018 -0.0055 0.0076 1064 ASP 138 OD2 0.0026 -0.0064 0.0088 1065 ILE 139 N 0.0016 -0.0066 0.0052 1066 ILE 139 CA 0.0012 -0.0068 0.0049 1067 ILE 139 C 0.0001 -0.0060 0.0038 1068 ILE 139 O -0.0005 -0.0062 0.0033 1069 ILE 139 CB 0.0008 -0.0085 0.0051 1070 ILE 139 CG1 -0.0004 -0.0092 0.0043 1071 ILE 139 CG2 0.0018 -0.0093 0.0062 1072 ILE 139 CD1 -0.0009 -0.0107 0.0043 1073 ASP 140 N -0.0001 -0.0051 0.0033 1074 ASP 140 CA -0.0011 -0.0042 0.0022 1075 ASP 140 C -0.0009 -0.0032 0.0020 1076 ASP 140 O 0.0001 -0.0023 0.0026 1077 ASP 140 CB -0.0012 -0.0034 0.0018 1078 ASP 140 CG -0.0024 -0.0029 0.0007 1079 ASP 140 OD1 -0.0032 -0.0034 0.0001 1080 ASP 140 OD2 -0.0025 -0.0020 0.0003 1081 PRO 141 N -0.0016 -0.0031 0.0010 1082 PRO 141 CA -0.0015 -0.0026 0.0009 1083 PRO 141 C -0.0013 -0.0011 0.0007 1084 PRO 141 O -0.0006 -0.0006 0.0008 1085 PRO 141 CB -0.0028 -0.0032 0.0006 1086 PRO 141 CG -0.0032 -0.0044 0.0007 1087 PRO 141 CD -0.0027 -0.0041 0.0008 1088 ALA 142 N -0.0018 -0.0003 0.0003 1089 ALA 142 CA -0.0016 0.0013 0.0000 1090 ALA 142 C -0.0002 0.0019 0.0004 1091 ALA 142 O -0.0000 0.0031 0.0001 1092 ALA 142 CB -0.0027 0.0019 -0.0005 1093 ARG 143 N 0.0011 0.0009 0.0011 1094 ARG 143 CA 0.0030 0.0016 0.0019 1095 ARG 143 C 0.0049 0.0013 0.0031 1096 ARG 143 O 0.0067 0.0019 0.0038 1097 ARG 143 CB 0.0029 0.0004 0.0024 1098 ARG 143 CG 0.0020 0.0014 0.0014 1099 ARG 143 CD 0.0027 0.0007 0.0021 1100 ARG 143 NE 0.0015 0.0014 0.0011 1101 ARG 143 CZ -0.0005 0.0007 0.0003 1102 ARG 143 NH1 -0.0017 -0.0007 0.0003 1103 ARG 143 NH2 -0.0013 0.0015 -0.0006 1104 SER 144 N 0.0046 0.0003 0.0034 1105 SER 144 CA 0.0063 -0.0001 0.0046 1106 SER 144 C 0.0078 -0.0012 0.0060 1107 SER 144 O 0.0097 -0.0006 0.0067 1108 SER 144 CB 0.0076 0.0019 0.0043 1109 SER 144 OG 0.0080 0.0037 0.0037 1110 GLY 5 N -0.0003 -0.0018 -0.0219 1111 GLY 5 CA -0.0009 -0.0018 -0.0225 1112 GLY 5 C -0.0008 -0.0017 -0.0223 1113 GLY 5 O -0.0006 -0.0012 -0.0217 1114 LEU 6 N -0.0010 -0.0021 -0.0229 1115 LEU 6 CA -0.0010 -0.0021 -0.0228 1116 LEU 6 C -0.0003 -0.0028 -0.0229 1117 LEU 6 O -0.0002 -0.0034 -0.0234 1118 LEU 6 CB -0.0017 -0.0019 -0.0234 1119 LEU 6 CG -0.0019 -0.0016 -0.0232 1120 LEU 6 CD1 -0.0018 -0.0008 -0.0225 1121 LEU 6 CD2 -0.0026 -0.0014 -0.0238 1122 TYR 7 N -0.0047 -0.0003 -0.0159 1123 TYR 7 CA -0.0050 -0.0002 -0.0156 1124 TYR 7 C -0.0061 0.0010 -0.0150 1125 TYR 7 O -0.0069 0.0014 -0.0144 1126 TYR 7 CB -0.0050 -0.0017 -0.0147 1127 TYR 7 CG -0.0038 -0.0029 -0.0153 1128 TYR 7 CD1 -0.0033 -0.0030 -0.0158 1129 TYR 7 CD2 -0.0032 -0.0039 -0.0154 1130 TYR 7 CE1 -0.0022 -0.0041 -0.0164 1131 TYR 7 CE2 -0.0021 -0.0050 -0.0159 1132 TYR 7 CZ -0.0016 -0.0051 -0.0164 1133 TYR 7 OH -0.0005 -0.0062 -0.0170 1134 ARG 8 N -0.0063 0.0016 -0.0151 1135 ARG 8 CA -0.0074 0.0028 -0.0146 1136 ARG 8 C -0.0078 0.0023 -0.0139 1137 ARG 8 O -0.0071 0.0019 -0.0144 1138 ARG 8 CB -0.0074 0.0043 -0.0156 1139 ARG 8 CG -0.0085 0.0055 -0.0151 1140 ARG 8 CD -0.0083 0.0070 -0.0162 1141 ARG 8 NE -0.0080 0.0076 -0.0169 1142 ARG 8 CZ -0.0072 0.0082 -0.0182 1143 ARG 8 NH1 -0.0066 0.0082 -0.0189 1144 ARG 8 NH2 -0.0069 0.0087 -0.0188 1145 MET 9 N -0.0049 0.0047 -0.0101 1146 MET 9 CA -0.0050 0.0039 -0.0090 1147 MET 9 C -0.0044 0.0045 -0.0079 1148 MET 9 O -0.0039 0.0055 -0.0077 1149 MET 9 CB -0.0051 0.0037 -0.0090 1150 MET 9 CG -0.0052 0.0030 -0.0078 1151 MET 9 SD -0.0055 0.0024 -0.0079 1152 MET 9 CE -0.0060 0.0011 -0.0070 1153 THR 10 N -0.0046 0.0040 -0.0071 1154 THR 10 CA -0.0041 0.0044 -0.0059 1155 THR 10 C -0.0043 0.0036 -0.0048 1156 THR 10 O -0.0048 0.0026 -0.0047 1157 THR 10 CB -0.0040 0.0045 -0.0058 1158 THR 10 CG2 -0.0046 0.0035 -0.0061 1159 THR 10 OG1 -0.0036 0.0049 -0.0046 1160 TYR 11 N -0.0021 0.0040 -0.0035 1161 TYR 11 CA -0.0015 0.0034 -0.0026 1162 TYR 11 C -0.0005 0.0037 -0.0018 1163 TYR 11 O -0.0003 0.0045 -0.0018 1164 TYR 11 CB -0.0014 0.0039 -0.0027 1165 TYR 11 CG -0.0007 0.0050 -0.0024 1166 TYR 11 CD1 0.0002 0.0050 -0.0015 1167 TYR 11 CD2 -0.0008 0.0062 -0.0030 1168 TYR 11 CE1 0.0009 0.0061 -0.0012 1169 TYR 11 CE2 -0.0002 0.0073 -0.0028 1170 TYR 11 CZ 0.0007 0.0072 -0.0018 1171 TYR 11 OH 0.0013 0.0083 -0.0015 1172 ILE 12 N 0.0000 0.0031 -0.0009 1173 ILE 12 CA 0.0009 0.0032 0.0000 1174 ILE 12 C 0.0016 0.0033 0.0007 1175 ILE 12 O 0.0013 0.0030 0.0005 1176 ILE 12 CB 0.0010 0.0022 0.0005 1177 ILE 12 CG1 0.0008 0.0009 0.0008 1178 ILE 12 CG2 0.0004 0.0020 -0.0001 1179 ILE 12 CD1 0.0008 -0.0002 0.0012 1180 SER 13 N 0.0066 0.0046 0.0058 1181 SER 13 CA 0.0073 0.0048 0.0063 1182 SER 13 C 0.0070 0.0046 0.0058 1183 SER 13 O 0.0062 0.0044 0.0051 1184 SER 13 CB 0.0070 0.0052 0.0075 1185 SER 13 OG 0.0072 0.0053 0.0079 1186 ARG 14 N 0.0078 0.0047 0.0060 1187 ARG 14 CA 0.0077 0.0045 0.0055 1188 ARG 14 C 0.0074 0.0048 0.0063 1189 ARG 14 O 0.0079 0.0051 0.0072 1190 ARG 14 CB 0.0088 0.0043 0.0049 1191 ARG 14 CG 0.0090 0.0039 0.0038 1192 ARG 14 CD 0.0100 0.0037 0.0032 1193 ARG 14 NE 0.0102 0.0033 0.0022 1194 ARG 14 CZ 0.0097 0.0030 0.0013 1195 ARG 14 NH1 0.0089 0.0030 0.0012 1196 ARG 14 NH2 0.0099 0.0027 0.0004 1197 ALA 15 N 0.0082 -0.0011 0.0098 1198 ALA 15 CA 0.0089 0.0014 0.0114 1199 ALA 15 C 0.0157 0.0019 0.0089 1200 ALA 15 O 0.0195 -0.0007 0.0054 1201 ALA 15 CB 0.0040 -0.0020 0.0108 1202 VAL 16 N 0.0172 0.0053 0.0108 1203 VAL 16 CA 0.0232 0.0058 0.0087 1204 VAL 16 C 0.0221 0.0009 0.0055 1205 VAL 16 O 0.0166 -0.0012 0.0063 1206 VAL 16 CB 0.0251 0.0115 0.0121 1207 VAL 16 CG1 0.0277 0.0162 0.0144 1208 VAL 16 CG2 0.0195 0.0127 0.0153 1209 PRO 17 N 0.0777 -0.0182 -0.0238 1210 PRO 17 CA 0.0656 -0.0376 -0.0422 1211 PRO 17 C 0.0468 -0.0335 -0.0291 1212 PRO 17 O 0.0286 -0.0497 -0.0410 1213 PRO 17 CB 0.0962 -0.0429 -0.0618 1214 PRO 17 CG 0.1238 -0.0239 -0.0507 1215 PRO 17 CD 0.1131 -0.0102 -0.0294 1216 GLY 18 N 0.0503 -0.0127 -0.0053 1217 GLY 18 CA 0.0361 -0.0078 0.0067 1218 GLY 18 C 0.0036 -0.0039 0.0254 1219 GLY 18 O -0.0059 0.0064 0.0421 1220 LEU 19 N -0.0194 -0.0024 0.0271 1221 LEU 19 CA -0.0172 -0.0037 0.0274 1222 LEU 19 C -0.0223 -0.0010 0.0270 1223 LEU 19 O -0.0253 0.0039 0.0243 1224 LEU 19 CB -0.0105 -0.0020 0.0238 1225 LEU 19 CG -0.0048 -0.0068 0.0255 1226 LEU 19 CD1 0.0017 -0.0063 0.0230 1227 LEU 19 CD2 -0.0067 -0.0124 0.0305 1228 GLY 20 N -0.0232 -0.0041 0.0297 1229 GLY 20 CA -0.0279 -0.0020 0.0297 1230 GLY 20 C -0.0251 -0.0030 0.0295 1231 GLY 20 O -0.0191 -0.0048 0.0289 1232 TYR 21 N -0.0080 0.0029 0.0470 1233 TYR 21 CA 0.0104 -0.0027 0.0456 1234 TYR 21 C 0.0116 -0.0166 0.0324 1235 TYR 21 O 0.0228 -0.0205 0.0310 1236 TYR 21 CB 0.0221 -0.0024 0.0483 1237 TYR 21 CG 0.0257 0.0111 0.0622 1238 TYR 21 CD1 0.0144 0.0189 0.0672 1239 TYR 21 CD2 0.0405 0.0161 0.0701 1240 TYR 21 CE1 0.0177 0.0313 0.0799 1241 TYR 21 CE2 0.0438 0.0285 0.0828 1242 TYR 21 CZ 0.0324 0.0360 0.0876 1243 TYR 21 OH 0.0357 0.0484 0.1002 1244 ASN 22 N 0.0005 -0.0243 0.0226 1245 ASN 22 CA 0.0012 -0.0378 0.0098 1246 ASN 22 C -0.0035 -0.0382 0.0083 1247 ASN 22 O 0.0051 -0.0462 0.0024 1248 ASN 22 CB -0.0114 -0.0448 0.0003 1249 ASN 22 CG -0.0052 -0.0467 -0.0002 1250 ASN 22 ND2 -0.0177 -0.0481 -0.0042 1251 ASN 22 OD1 0.0105 -0.0470 0.0029 1252 ASP 23 N -0.0073 -0.0279 0.0207 1253 ASP 23 CA -0.0078 -0.0282 0.0204 1254 ASP 23 C -0.0040 -0.0272 0.0213 1255 ASP 23 O -0.0027 -0.0288 0.0201 1256 ASP 23 CB -0.0116 -0.0262 0.0218 1257 ASP 23 CG -0.0157 -0.0278 0.0204 1258 ASP 23 OD1 -0.0169 -0.0302 0.0185 1259 ASP 23 OD2 -0.0177 -0.0266 0.0212 1260 LEU 24 N -0.0021 -0.0244 0.0234 1261 LEU 24 CA 0.0016 -0.0233 0.0244 1262 LEU 24 C 0.0051 -0.0258 0.0227 1263 LEU 24 O 0.0074 -0.0264 0.0223 1264 LEU 24 CB 0.0028 -0.0199 0.0270 1265 LEU 24 CG 0.0000 -0.0170 0.0291 1266 LEU 24 CD1 0.0015 -0.0138 0.0316 1267 LEU 24 CD2 -0.0001 -0.0168 0.0292 1268 ARG 25 N 0.0207 -0.0348 0.0221 1269 ARG 25 CA 0.0255 -0.0327 0.0143 1270 ARG 25 C 0.0193 -0.0311 0.0045 1271 ARG 25 O 0.0185 -0.0300 -0.0008 1272 ARG 25 CB 0.0365 -0.0315 0.0126 1273 ARG 25 CG 0.0445 -0.0323 0.0192 1274 ARG 25 CD 0.0549 -0.0313 0.0189 1275 ARG 25 NE 0.0609 -0.0329 0.0282 1276 ARG 25 CZ 0.0643 -0.0339 0.0342 1277 ARG 25 NH1 0.0625 -0.0336 0.0321 1278 ARG 25 NH2 0.0697 -0.0353 0.0425 1279 ASP 26 N 0.0148 -0.0309 0.0018 1280 ASP 26 CA 0.0080 -0.0295 -0.0072 1281 ASP 26 C -0.0013 -0.0305 -0.0059 1282 ASP 26 O -0.0045 -0.0292 -0.0130 1283 ASP 26 CB 0.0047 -0.0293 -0.0092 1284 ASP 26 CG -0.0008 -0.0276 -0.0192 1285 ASP 26 OD1 0.0032 -0.0256 -0.0270 1286 ASP 26 OD2 -0.0093 -0.0282 -0.0194 1287 ILE 27 N -0.0071 -0.0283 0.0057 1288 ILE 27 CA -0.0104 -0.0308 0.0042 1289 ILE 27 C -0.0100 -0.0291 0.0011 1290 ILE 27 O -0.0122 -0.0298 -0.0024 1291 ILE 27 CB -0.0116 -0.0336 0.0081 1292 ILE 27 CG1 -0.0127 -0.0357 0.0107 1293 ILE 27 CG2 -0.0145 -0.0357 0.0066 1294 ILE 27 CD1 -0.0132 -0.0379 0.0150 1295 MET 28 N -0.0071 -0.0270 0.0024 1296 MET 28 CA -0.0065 -0.0252 -0.0004 1297 MET 28 C -0.0065 -0.0233 -0.0049 1298 MET 28 O -0.0083 -0.0236 -0.0083 1299 MET 28 CB -0.0029 -0.0228 0.0017 1300 MET 28 CG -0.0027 -0.0221 0.0007 1301 MET 28 SD -0.0040 -0.0249 0.0046 1302 MET 28 CE 0.0002 -0.0223 0.0076 1303 GLY 29 N -0.0070 -0.0288 -0.0154 1304 GLY 29 CA -0.0076 -0.0248 -0.0191 1305 GLY 29 C -0.0124 -0.0225 -0.0211 1306 GLY 29 O -0.0156 -0.0207 -0.0226 1307 LYS 30 N -0.0130 -0.0226 -0.0210 1308 LYS 30 CA -0.0175 -0.0203 -0.0229 1309 LYS 30 C -0.0229 -0.0218 -0.0213 1310 LYS 30 O -0.0266 -0.0195 -0.0233 1311 LYS 30 CB -0.0169 -0.0204 -0.0229 1312 LYS 30 CG -0.0123 -0.0179 -0.0254 1313 LYS 30 CD -0.0118 -0.0183 -0.0250 1314 LYS 30 CE -0.0074 -0.0157 -0.0276 1315 LYS 30 NZ -0.0067 -0.0161 -0.0272 1316 SER 31 N -0.0202 -0.0226 -0.0164 1317 SER 31 CA -0.0218 -0.0230 -0.0156 1318 SER 31 C -0.0223 -0.0230 -0.0154 1319 SER 31 O -0.0237 -0.0224 -0.0153 1320 SER 31 CB -0.0217 -0.0244 -0.0145 1321 SER 31 OG -0.0203 -0.0253 -0.0143 1322 GLU 32 N -0.0212 -0.0235 -0.0154 1323 GLU 32 CA -0.0216 -0.0235 -0.0152 1324 GLU 32 C -0.0222 -0.0221 -0.0162 1325 GLU 32 O -0.0234 -0.0217 -0.0160 1326 GLU 32 CB -0.0202 -0.0243 -0.0151 1327 GLU 32 CG -0.0204 -0.0256 -0.0140 1328 GLU 32 CD -0.0188 -0.0266 -0.0138 1329 GLU 32 OE1 -0.0177 -0.0261 -0.0146 1330 GLU 32 OE2 -0.0188 -0.0278 -0.0129 1331 VAL 33 N -0.0270 -0.0238 -0.0091 1332 VAL 33 CA -0.0272 -0.0213 -0.0045 1333 VAL 33 C -0.0249 -0.0159 -0.0014 1334 VAL 33 O -0.0263 -0.0148 0.0040 1335 VAL 33 CB -0.0259 -0.0208 -0.0070 1336 VAL 33 CG1 -0.0248 -0.0166 -0.0028 1337 VAL 33 CG2 -0.0289 -0.0261 -0.0080 1338 ASN 34 N -0.0215 -0.0126 -0.0049 1339 ASN 34 CA -0.0191 -0.0073 -0.0023 1340 ASN 34 C -0.0206 -0.0074 0.0014 1341 ASN 34 O -0.0205 -0.0044 0.0063 1342 ASN 34 CB -0.0151 -0.0040 -0.0071 1343 ASN 34 CG -0.0131 -0.0025 -0.0097 1344 ASN 34 ND2 -0.0138 -0.0061 -0.0139 1345 ASN 34 OD1 -0.0109 0.0019 -0.0080 1346 ASN 35 N -0.0209 -0.0088 -0.0020 1347 ASN 35 CA -0.0220 -0.0090 -0.0005 1348 ASN 35 C -0.0276 -0.0112 0.0054 1349 ASN 35 O -0.0279 -0.0098 0.0095 1350 ASN 35 CB -0.0222 -0.0119 -0.0074 1351 ASN 35 CG -0.0161 -0.0091 -0.0126 1352 ASN 35 ND2 -0.0141 -0.0085 -0.0151 1353 ASN 35 OD1 -0.0130 -0.0072 -0.0141 1354 SER 36 N -0.0322 -0.0146 0.0059 1355 SER 36 CA -0.0374 -0.0162 0.0121 1356 SER 36 C -0.0354 -0.0119 0.0191 1357 SER 36 O -0.0375 -0.0114 0.0246 1358 SER 36 CB -0.0424 -0.0205 0.0112 1359 SER 36 OG -0.0481 -0.0235 0.0152 1360 HIS 37 N -0.0447 -0.0045 0.0231 1361 HIS 37 CA -0.0399 0.0017 0.0348 1362 HIS 37 C -0.0323 0.0031 0.0341 1363 HIS 37 O -0.0333 0.0066 0.0427 1364 HIS 37 CB -0.0315 0.0054 0.0389 1365 HIS 37 CG -0.0268 0.0118 0.0512 1366 HIS 37 CD2 -0.0170 0.0156 0.0549 1367 HIS 37 ND1 -0.0324 0.0149 0.0616 1368 HIS 37 CE1 -0.0263 0.0204 0.0711 1369 HIS 37 NE2 -0.0169 0.0209 0.0673 1370 VAL 38 N -0.0246 0.0005 0.0239 1371 VAL 38 CA -0.0157 0.0021 0.0228 1372 VAL 38 C -0.0219 -0.0012 0.0184 1373 VAL 38 O -0.0193 0.0013 0.0229 1374 VAL 38 CB -0.0035 0.0014 0.0145 1375 VAL 38 CG1 0.0025 0.0001 0.0083 1376 VAL 38 CG2 0.0063 0.0068 0.0219 1377 GLY 39 N -0.0170 -0.0029 0.0039 1378 GLY 39 CA -0.0175 -0.0032 0.0031 1379 GLY 39 C -0.0160 -0.0027 -0.0009 1380 GLY 39 O -0.0142 -0.0019 -0.0011 1381 LEU 40 N -0.0166 -0.0031 -0.0041 1382 LEU 40 CA -0.0154 -0.0027 -0.0081 1383 LEU 40 C -0.0187 -0.0043 -0.0108 1384 LEU 40 O -0.0216 -0.0056 -0.0101 1385 LEU 40 CB -0.0129 -0.0017 -0.0099 1386 LEU 40 CG -0.0088 0.0001 -0.0092 1387 LEU 40 CD1 -0.0071 0.0008 -0.0110 1388 LEU 40 CD2 -0.0071 0.0008 -0.0110 1389 THR 41 N -0.0132 -0.0001 -0.0152 1390 THR 41 CA -0.0124 0.0001 -0.0144 1391 THR 41 C -0.0128 -0.0003 -0.0133 1392 THR 41 O -0.0136 -0.0007 -0.0132 1393 THR 41 CB -0.0122 0.0003 -0.0146 1394 THR 41 CG2 -0.0118 0.0007 -0.0156 1395 THR 41 OG1 -0.0130 -0.0002 -0.0145 1396 GLY 42 N -0.0121 -0.0001 -0.0125 1397 GLY 42 CA -0.0124 -0.0004 -0.0114 1398 GLY 42 C -0.0116 -0.0001 -0.0106 1399 GLY 42 O -0.0107 0.0004 -0.0109 1400 LEU 43 N -0.0086 -0.0028 -0.0079 1401 LEU 43 CA -0.0069 -0.0026 -0.0064 1402 LEU 43 C -0.0071 -0.0035 -0.0050 1403 LEU 43 O -0.0086 -0.0045 -0.0049 1404 LEU 43 CB -0.0066 -0.0029 -0.0054 1405 LEU 43 CG -0.0048 -0.0027 -0.0039 1406 LEU 43 CD1 -0.0032 -0.0012 -0.0047 1407 LEU 43 CD2 -0.0049 -0.0033 -0.0030 1408 LEU 44 N -0.0055 -0.0031 -0.0039 1409 LEU 44 CA -0.0053 -0.0038 -0.0025 1410 LEU 44 C -0.0039 -0.0041 -0.0007 1411 LEU 44 O -0.0024 -0.0031 -0.0007 1412 LEU 44 CB -0.0047 -0.0030 -0.0033 1413 LEU 44 CG -0.0042 -0.0035 -0.0019 1414 LEU 44 CD1 -0.0058 -0.0049 -0.0014 1415 LEU 44 CD2 -0.0032 -0.0024 -0.0027 1416 CYS 45 N -0.0044 -0.0034 0.0030 1417 CYS 45 CA -0.0041 -0.0032 0.0039 1418 CYS 45 C -0.0041 -0.0036 0.0050 1419 CYS 45 O -0.0046 -0.0044 0.0051 1420 CYS 45 CB -0.0043 -0.0035 0.0039 1421 CYS 45 SG -0.0040 -0.0034 0.0051 1422 PHE 46 N -0.0036 -0.0030 0.0057 1423 PHE 46 CA -0.0036 -0.0033 0.0067 1424 PHE 46 C -0.0033 -0.0032 0.0076 1425 PHE 46 O -0.0029 -0.0024 0.0076 1426 PHE 46 CB -0.0032 -0.0027 0.0068 1427 PHE 46 CG -0.0032 -0.0030 0.0079 1428 PHE 46 CD1 -0.0036 -0.0039 0.0083 1429 PHE 46 CD2 -0.0026 -0.0023 0.0085 1430 PHE 46 CE1 -0.0035 -0.0041 0.0093 1431 PHE 46 CE2 -0.0026 -0.0025 0.0094 1432 PHE 46 CZ -0.0030 -0.0034 0.0099 1433 GLY 47 N -0.0047 -0.0038 0.0089 1434 GLY 47 CA -0.0064 -0.0025 0.0051 1435 GLY 47 C -0.0044 -0.0007 0.0027 1436 GLY 47 O -0.0009 0.0003 0.0033 1437 ASN 48 N -0.0066 -0.0002 0.0001 1438 ASN 48 CA -0.0051 0.0015 -0.0024 1439 ASN 48 C -0.0026 0.0013 -0.0002 1440 ASN 48 O 0.0005 0.0029 -0.0011 1441 ASN 48 CB -0.0029 0.0035 -0.0051 1442 ASN 48 CG -0.0019 0.0053 -0.0081 1443 ASN 48 ND2 0.0009 0.0072 -0.0099 1444 ASN 48 OD1 -0.0037 0.0050 -0.0089 1445 SER 49 N 0.0037 -0.0041 0.0007 1446 SER 49 CA 0.0054 -0.0019 0.0018 1447 SER 49 C 0.0050 -0.0011 0.0027 1448 SER 49 O 0.0068 0.0000 0.0029 1449 SER 49 CB 0.0084 -0.0019 0.0007 1450 SER 49 OG 0.0096 -0.0023 0.0000 1451 ILE 50 N 0.0025 -0.0016 0.0032 1452 ILE 50 CA 0.0018 -0.0008 0.0041 1453 ILE 50 C -0.0008 0.0001 0.0058 1454 ILE 50 O -0.0027 -0.0010 0.0056 1455 ILE 50 CB 0.0013 -0.0026 0.0028 1456 ILE 50 CG1 0.0037 -0.0037 0.0011 1457 ILE 50 CG2 0.0008 -0.0016 0.0038 1458 ILE 50 CD1 0.0057 -0.0026 0.0011 1459 PHE 51 N -0.0001 -0.0006 0.0056 1460 PHE 51 CA -0.0005 -0.0002 0.0053 1461 PHE 51 C -0.0003 -0.0007 0.0044 1462 PHE 51 O 0.0003 -0.0014 0.0044 1463 PHE 51 CB -0.0003 -0.0001 0.0061 1464 PHE 51 CG -0.0005 0.0004 0.0071 1465 PHE 51 CD1 -0.0001 0.0001 0.0078 1466 PHE 51 CD2 -0.0011 0.0012 0.0072 1467 PHE 51 CE1 -0.0003 0.0005 0.0086 1468 PHE 51 CE2 -0.0013 0.0016 0.0081 1469 PHE 51 CZ -0.0009 0.0013 0.0088 1470 LEU 52 N -0.0008 -0.0002 0.0037 1471 LEU 52 CA -0.0007 -0.0006 0.0029 1472 LEU 52 C -0.0011 -0.0001 0.0029 1473 LEU 52 O -0.0016 0.0006 0.0027 1474 LEU 52 CB -0.0009 -0.0006 0.0019 1475 LEU 52 CG -0.0010 -0.0007 0.0010 1476 LEU 52 CD1 -0.0004 -0.0015 0.0008 1477 LEU 52 CD2 -0.0012 -0.0006 0.0001 1478 GLN 53 N -0.0083 0.0026 -0.0019 1479 GLN 53 CA -0.0079 0.0029 -0.0035 1480 GLN 53 C -0.0086 0.0026 -0.0041 1481 GLN 53 O -0.0099 0.0020 -0.0040 1482 GLN 53 CB -0.0081 0.0029 -0.0046 1483 GLN 53 CG -0.0078 0.0031 -0.0062 1484 GLN 53 CD -0.0074 0.0033 -0.0072 1485 GLN 53 NE2 -0.0066 0.0037 -0.0084 1486 GLN 53 OE1 -0.0079 0.0030 -0.0068 1487 ILE 54 N -0.0078 0.0030 -0.0048 1488 ILE 54 CA -0.0083 0.0028 -0.0056 1489 ILE 54 C -0.0080 0.0030 -0.0074 1490 ILE 54 O -0.0068 0.0036 -0.0078 1491 ILE 54 CB -0.0077 0.0031 -0.0049 1492 ILE 54 CG1 -0.0081 0.0028 -0.0032 1493 ILE 54 CG2 -0.0082 0.0029 -0.0059 1494 ILE 54 CD1 -0.0081 0.0028 -0.0027 1495 LEU 55 N -0.0092 0.0036 -0.0118 1496 LEU 55 CA -0.0093 0.0040 -0.0118 1497 LEU 55 C -0.0097 0.0039 -0.0123 1498 LEU 55 O -0.0097 0.0034 -0.0126 1499 LEU 55 CB -0.0090 0.0039 -0.0113 1500 LEU 55 CG -0.0087 0.0043 -0.0107 1501 LEU 55 CD1 -0.0083 0.0039 -0.0103 1502 LEU 55 CD2 -0.0089 0.0049 -0.0106 1503 GLU 56 N -0.0100 0.0044 -0.0125 1504 GLU 56 CA -0.0104 0.0044 -0.0130 1505 GLU 56 C -0.0105 0.0048 -0.0129 1506 GLU 56 O -0.0105 0.0053 -0.0127 1507 GLU 56 CB -0.0107 0.0045 -0.0135 1508 GLU 56 CG -0.0108 0.0040 -0.0138 1509 GLU 56 CD -0.0110 0.0042 -0.0141 1510 GLU 56 OE1 -0.0112 0.0048 -0.0140 1511 GLU 56 OE2 -0.0111 0.0038 -0.0144 1512 GLY 57 N -0.0082 0.0019 -0.0151 1513 GLY 57 CA -0.0081 0.0016 -0.0130 1514 GLY 57 C -0.0058 0.0014 -0.0124 1515 GLY 57 O -0.0045 0.0015 -0.0138 1516 SER 58 N -0.0054 0.0012 -0.0104 1517 SER 58 CA -0.0033 0.0009 -0.0097 1518 SER 58 C -0.0018 0.0009 -0.0101 1519 SER 58 O -0.0025 0.0010 -0.0103 1520 SER 58 CB -0.0033 0.0007 -0.0073 1521 SER 58 OG -0.0039 0.0006 -0.0061 1522 ARG 59 N -0.0031 0.0021 -0.0116 1523 ARG 59 CA -0.0013 0.0008 -0.0112 1524 ARG 59 C 0.0001 0.0017 -0.0096 1525 ARG 59 O 0.0015 0.0011 -0.0090 1526 ARG 59 CB -0.0013 -0.0003 -0.0118 1527 ARG 59 CG 0.0001 -0.0021 -0.0120 1528 ARG 59 CD -0.0000 -0.0032 -0.0127 1529 ARG 59 NE 0.0002 -0.0021 -0.0119 1530 ARG 59 CZ -0.0000 -0.0026 -0.0123 1531 ARG 59 NH1 -0.0004 -0.0041 -0.0136 1532 ARG 59 NH2 0.0002 -0.0016 -0.0115 1533 GLN 60 N -0.0002 0.0032 -0.0089 1534 GLN 60 CA 0.0011 0.0042 -0.0074 1535 GLN 60 C 0.0014 0.0049 -0.0066 1536 GLN 60 O 0.0030 0.0048 -0.0057 1537 GLN 60 CB 0.0004 0.0057 -0.0069 1538 GLN 60 CG 0.0016 0.0070 -0.0053 1539 GLN 60 CD 0.0034 0.0060 -0.0046 1540 GLN 60 NE2 0.0045 0.0070 -0.0032 1541 GLN 60 OE1 0.0038 0.0045 -0.0053 1542 ALA 61 N -0.0021 0.0066 -0.0037 1543 ALA 61 CA -0.0030 0.0063 -0.0040 1544 ALA 61 C -0.0024 0.0056 -0.0059 1545 ALA 61 O -0.0020 0.0056 -0.0061 1546 ALA 61 CB -0.0051 0.0060 -0.0038 1547 ILE 62 N -0.0023 0.0050 -0.0071 1548 ILE 62 CA -0.0017 0.0044 -0.0089 1549 ILE 62 C 0.0003 0.0047 -0.0090 1550 ILE 62 O 0.0008 0.0045 -0.0098 1551 ILE 62 CB -0.0019 0.0038 -0.0102 1552 ILE 62 CG1 -0.0039 0.0032 -0.0106 1553 ILE 62 CG2 -0.0007 0.0033 -0.0118 1554 ILE 62 CD1 -0.0041 0.0024 -0.0120 1555 SER 63 N 0.0002 0.0047 -0.0088 1556 SER 63 CA 0.0015 0.0044 -0.0084 1557 SER 63 C 0.0025 0.0055 -0.0076 1558 SER 63 O 0.0038 0.0051 -0.0073 1559 SER 63 CB 0.0013 0.0045 -0.0085 1560 SER 63 OG 0.0004 0.0034 -0.0092 1561 HIS 64 N 0.0020 0.0069 -0.0073 1562 HIS 64 CA 0.0029 0.0080 -0.0066 1563 HIS 64 C 0.0035 0.0077 -0.0065 1564 HIS 64 O 0.0047 0.0079 -0.0059 1565 HIS 64 CB 0.0021 0.0094 -0.0063 1566 HIS 64 CG 0.0030 0.0106 -0.0056 1567 HIS 64 CD2 0.0042 0.0108 -0.0051 1568 HIS 64 ND1 0.0029 0.0118 -0.0052 1569 HIS 64 CE1 0.0039 0.0126 -0.0045 1570 HIS 64 NE2 0.0047 0.0120 -0.0044 1571 THR 65 N 0.0011 0.0086 -0.0082 1572 THR 65 CA 0.0016 0.0087 -0.0078 1573 THR 65 C 0.0018 0.0081 -0.0072 1574 THR 65 O 0.0023 0.0082 -0.0067 1575 THR 65 CB 0.0017 0.0089 -0.0079 1576 THR 65 CG2 0.0022 0.0089 -0.0074 1577 THR 65 OG1 0.0016 0.0095 -0.0084 1578 TYR 66 N 0.0013 0.0075 -0.0071 1579 TYR 66 CA 0.0014 0.0069 -0.0066 1580 TYR 66 C 0.0016 0.0069 -0.0064 1581 TYR 66 O 0.0020 0.0068 -0.0059 1582 TYR 66 CB 0.0009 0.0063 -0.0066 1583 TYR 66 CG 0.0010 0.0057 -0.0060 1584 TYR 66 CD1 0.0013 0.0056 -0.0056 1585 TYR 66 CD2 0.0007 0.0053 -0.0059 1586 TYR 66 CE1 0.0014 0.0050 -0.0050 1587 TYR 66 CE2 0.0008 0.0047 -0.0054 1588 TYR 66 CZ 0.0012 0.0046 -0.0050 1589 TYR 66 OH 0.0012 0.0040 -0.0044 1590 HIS 67 N 0.0041 0.0088 -0.0066 1591 HIS 67 CA 0.0043 0.0086 -0.0062 1592 HIS 67 C 0.0048 0.0092 -0.0058 1593 HIS 67 O 0.0051 0.0091 -0.0053 1594 HIS 67 CB 0.0040 0.0086 -0.0067 1595 HIS 67 CG 0.0042 0.0086 -0.0064 1596 HIS 67 CD2 0.0044 0.0082 -0.0059 1597 HIS 67 ND1 0.0041 0.0090 -0.0067 1598 HIS 67 CE1 0.0043 0.0089 -0.0064 1599 HIS 67 NE2 0.0045 0.0084 -0.0058 1600 ARG 68 N 0.0048 0.0099 -0.0061 1601 ARG 68 CA 0.0053 0.0105 -0.0057 1602 ARG 68 C 0.0056 0.0104 -0.0051 1603 ARG 68 O 0.0060 0.0106 -0.0046 1604 ARG 68 CB 0.0052 0.0113 -0.0061 1605 ARG 68 CG 0.0056 0.0119 -0.0057 1606 ARG 68 CD 0.0056 0.0126 -0.0061 1607 ARG 68 NE 0.0052 0.0126 -0.0068 1608 ARG 68 CZ 0.0050 0.0130 -0.0073 1609 ARG 68 NH1 0.0053 0.0136 -0.0071 1610 ARG 68 NH2 0.0046 0.0129 -0.0079 1611 ILE 69 N 0.0038 0.0122 -0.0030 1612 ILE 69 CA 0.0043 0.0120 -0.0023 1613 ILE 69 C 0.0050 0.0107 -0.0014 1614 ILE 69 O 0.0058 0.0109 -0.0003 1615 ILE 69 CB 0.0036 0.0117 -0.0033 1616 ILE 69 CG1 0.0032 0.0132 -0.0038 1617 ILE 69 CG2 0.0041 0.0107 -0.0028 1618 ILE 69 CD1 0.0025 0.0130 -0.0048 1619 LEU 70 N 0.0049 0.0095 -0.0017 1620 LEU 70 CA 0.0055 0.0081 -0.0009 1621 LEU 70 C 0.0064 0.0085 0.0005 1622 LEU 70 O 0.0071 0.0077 0.0014 1623 LEU 70 CB 0.0051 0.0068 -0.0015 1624 LEU 70 CG 0.0047 0.0055 -0.0022 1625 LEU 70 CD1 0.0043 0.0043 -0.0028 1626 LEU 70 CD2 0.0054 0.0048 -0.0012 1627 GLN 71 N 0.0060 0.0096 0.0038 1628 GLN 71 CA 0.0067 0.0098 0.0054 1629 GLN 71 C 0.0076 0.0111 0.0070 1630 GLN 71 O 0.0083 0.0111 0.0086 1631 GLN 71 CB 0.0065 0.0109 0.0047 1632 GLN 71 CG 0.0056 0.0100 0.0028 1633 GLN 71 CD 0.0055 0.0077 0.0031 1634 GLN 71 NE2 0.0055 0.0073 0.0032 1635 GLN 71 OE1 0.0054 0.0064 0.0032 1636 ASP 72 N 0.0075 0.0122 0.0066 1637 ASP 72 CA 0.0083 0.0137 0.0079 1638 ASP 72 C 0.0089 0.0125 0.0096 1639 ASP 72 O 0.0087 0.0112 0.0094 1640 ASP 72 CB 0.0080 0.0151 0.0069 1641 ASP 72 CG 0.0086 0.0173 0.0078 1642 ASP 72 OD1 0.0094 0.0174 0.0095 1643 ASP 72 OD2 0.0082 0.0188 0.0067 1644 PRO 73 N 0.0149 0.0146 0.0135 1645 PRO 73 CA 0.0130 0.0169 0.0051 1646 PRO 73 C 0.0109 0.0126 0.0026 1647 PRO 73 O 0.0095 0.0149 -0.0039 1648 PRO 73 CB 0.0105 0.0141 0.0001 1649 PRO 73 CG 0.0119 0.0131 0.0054 1650 PRO 73 CD 0.0139 0.0125 0.0124 1651 ARG 74 N 0.0104 0.0062 0.0073 1652 ARG 74 CA 0.0084 0.0018 0.0054 1653 ARG 74 C 0.0101 0.0068 0.0059 1654 ARG 74 O 0.0084 0.0047 0.0024 1655 ARG 74 CB 0.0078 -0.0062 0.0110 1656 ARG 74 CG 0.0061 -0.0111 0.0104 1657 ARG 74 CD 0.0038 -0.0204 0.0124 1658 ARG 74 NE 0.0052 -0.0228 0.0192 1659 ARG 74 CZ 0.0047 -0.0239 0.0186 1660 ARG 74 NH1 0.0027 -0.0231 0.0114 1661 ARG 74 NH2 0.0061 -0.0260 0.0253 1662 HIS 75 N 0.0115 0.0111 0.0112 1663 HIS 75 CA 0.0114 0.0101 0.0106 1664 HIS 75 C 0.0123 0.0107 0.0106 1665 HIS 75 O 0.0128 0.0118 0.0111 1666 HIS 75 CB 0.0098 0.0096 0.0109 1667 HIS 75 CG 0.0091 0.0106 0.0119 1668 HIS 75 CD2 0.0079 0.0110 0.0126 1669 HIS 75 ND1 0.0096 0.0113 0.0121 1670 HIS 75 CE1 0.0087 0.0121 0.0129 1671 HIS 75 NE2 0.0077 0.0119 0.0133 1672 HIS 76 N 0.0124 0.0098 0.0100 1673 HIS 76 CA 0.0133 0.0102 0.0099 1674 HIS 76 C 0.0127 0.0094 0.0096 1675 HIS 76 O 0.0119 0.0083 0.0093 1676 HIS 76 CB 0.0148 0.0102 0.0093 1677 HIS 76 CG 0.0151 0.0089 0.0083 1678 HIS 76 CD2 0.0161 0.0083 0.0075 1679 HIS 76 ND1 0.0144 0.0080 0.0080 1680 HIS 76 CE1 0.0149 0.0070 0.0071 1681 HIS 76 NE2 0.0160 0.0071 0.0068 1682 SER 77 N 0.0124 0.0065 0.0068 1683 SER 77 CA 0.0114 0.0044 0.0059 1684 SER 77 C 0.0095 0.0048 0.0047 1685 SER 77 O 0.0088 0.0036 0.0041 1686 SER 77 CB 0.0125 0.0027 0.0064 1687 SER 77 OG 0.0142 0.0022 0.0076 1688 ALA 78 N 0.0085 0.0065 0.0042 1689 ALA 78 CA 0.0066 0.0069 0.0029 1690 ALA 78 C 0.0055 0.0050 0.0020 1691 ALA 78 O 0.0059 0.0040 0.0022 1692 ALA 78 CB 0.0059 0.0091 0.0027 1693 GLU 79 N 0.0014 0.0051 0.0006 1694 GLU 79 CA 0.0010 0.0042 0.0001 1695 GLU 79 C 0.0007 0.0047 -0.0010 1696 GLU 79 O 0.0009 0.0056 -0.0012 1697 GLU 79 CB 0.0011 0.0039 0.0008 1698 GLU 79 CG 0.0007 0.0027 0.0009 1699 GLU 79 CD 0.0009 0.0024 0.0016 1700 GLU 79 OE1 0.0013 0.0026 0.0026 1701 GLU 79 OE2 0.0006 0.0020 0.0012 1702 ILE 80 N 0.0001 0.0040 -0.0017 1703 ILE 80 CA -0.0002 0.0043 -0.0028 1704 ILE 80 C -0.0004 0.0039 -0.0030 1705 ILE 80 O -0.0007 0.0029 -0.0028 1706 ILE 80 CB -0.0007 0.0039 -0.0036 1707 ILE 80 CG1 -0.0005 0.0041 -0.0033 1708 ILE 80 CG2 -0.0010 0.0043 -0.0047 1709 ILE 80 CD1 -0.0009 0.0034 -0.0038 1710 ILE 81 N -0.0038 0.0058 -0.0033 1711 ILE 81 CA -0.0036 0.0061 -0.0021 1712 ILE 81 C -0.0040 0.0056 -0.0039 1713 ILE 81 O -0.0052 0.0049 -0.0033 1714 ILE 81 CB -0.0015 0.0075 -0.0011 1715 ILE 81 CG1 -0.0015 0.0078 0.0014 1716 ILE 81 CG2 -0.0009 0.0079 -0.0008 1717 ILE 81 CD1 0.0006 0.0093 0.0024 1718 ALA 82 N -0.0031 0.0060 -0.0061 1719 ALA 82 CA -0.0034 0.0056 -0.0078 1720 ALA 82 C -0.0029 0.0056 -0.0104 1721 ALA 82 O -0.0018 0.0063 -0.0109 1722 ALA 82 CB -0.0022 0.0064 -0.0072 1723 PHE 83 N -0.0028 -0.0001 -0.0125 1724 PHE 83 CA -0.0027 -0.0001 -0.0128 1725 PHE 83 C -0.0023 -0.0006 -0.0151 1726 PHE 83 O -0.0017 -0.0024 -0.0156 1727 PHE 83 CB -0.0025 -0.0017 -0.0114 1728 PHE 83 CG -0.0024 -0.0018 -0.0116 1729 PHE 83 CD1 -0.0019 -0.0029 -0.0131 1730 PHE 83 CD2 -0.0029 -0.0009 -0.0102 1731 PHE 83 CE1 -0.0019 -0.0029 -0.0133 1732 PHE 83 CE2 -0.0028 -0.0009 -0.0104 1733 PHE 83 CZ -0.0023 -0.0020 -0.0119 1734 ASP 84 N -0.0025 0.0009 -0.0164 1735 ASP 84 CA -0.0021 0.0006 -0.0186 1736 ASP 84 C -0.0023 0.0017 -0.0195 1737 ASP 84 O -0.0028 0.0032 -0.0187 1738 ASP 84 CB -0.0022 0.0013 -0.0197 1739 ASP 84 CG -0.0028 0.0035 -0.0195 1740 ASP 84 OD1 -0.0032 0.0042 -0.0178 1741 ASP 84 OD2 -0.0029 0.0047 -0.0210 1742 PRO 85 N -0.0053 -0.0018 -0.0244 1743 PRO 85 CA -0.0031 -0.0025 -0.0256 1744 PRO 85 C -0.0018 0.0011 -0.0266 1745 PRO 85 O -0.0013 0.0038 -0.0270 1746 PRO 85 CB -0.0004 -0.0051 -0.0269 1747 PRO 85 CG -0.0008 -0.0052 -0.0267 1748 PRO 85 CD -0.0036 -0.0027 -0.0253 1749 VAL 86 N -0.0011 0.0011 -0.0269 1750 VAL 86 CA -0.0000 0.0045 -0.0277 1751 VAL 86 C 0.0028 0.0035 -0.0293 1752 VAL 86 O 0.0034 0.0002 -0.0293 1753 VAL 86 CB -0.0028 0.0063 -0.0263 1754 VAL 86 CG1 -0.0050 0.0088 -0.0253 1755 VAL 86 CG2 -0.0049 0.0034 -0.0250 1756 LEU 87 N 0.0458 0.0156 -0.0492 1757 LEU 87 CA 0.0509 0.0093 -0.0423 1758 LEU 87 C 0.0308 0.0009 -0.0319 1759 LEU 87 O 0.0337 -0.0117 -0.0178 1760 LEU 87 CB 0.0576 0.0218 -0.0568 1761 LEU 87 CG 0.0639 0.0174 -0.0521 1762 LEU 87 CD1 0.0783 0.0029 -0.0362 1763 LEU 87 CD2 0.0762 0.0301 -0.0669 1764 GLN 88 N 0.0102 0.0076 -0.0386 1765 GLN 88 CA -0.0099 0.0006 -0.0298 1766 GLN 88 C -0.0305 0.0049 -0.0338 1767 GLN 88 O -0.0310 0.0165 -0.0469 1768 GLN 88 CB -0.0143 0.0051 -0.0347 1769 GLN 88 CG -0.0122 0.0218 -0.0537 1770 GLN 88 CD -0.0172 0.0258 -0.0580 1771 GLN 88 NE2 -0.0381 0.0233 -0.0543 1772 GLN 88 OE1 -0.0025 0.0311 -0.0646 1773 ARG 89 N -0.0128 0.0038 -0.0196 1774 ARG 89 CA -0.0122 0.0046 -0.0166 1775 ARG 89 C -0.0110 0.0065 -0.0151 1776 ARG 89 O -0.0104 0.0076 -0.0166 1777 ARG 89 CB -0.0114 0.0059 -0.0170 1778 ARG 89 CG -0.0124 0.0043 -0.0189 1779 ARG 89 CD -0.0119 0.0052 -0.0182 1780 ARG 89 NE -0.0125 0.0044 -0.0206 1781 ARG 89 CZ -0.0128 0.0039 -0.0201 1782 ARG 89 NH1 -0.0126 0.0041 -0.0174 1783 ARG 89 NH2 -0.0133 0.0031 -0.0225 1784 GLU 90 N -0.0107 0.0069 -0.0121 1785 GLU 90 CA -0.0094 0.0088 -0.0104 1786 GLU 90 C -0.0082 0.0107 -0.0087 1787 GLU 90 O -0.0069 0.0127 -0.0076 1788 GLU 90 CB -0.0102 0.0074 -0.0081 1789 GLU 90 CG -0.0113 0.0058 -0.0096 1790 GLU 90 CD -0.0106 0.0068 -0.0090 1791 GLU 90 OE1 -0.0091 0.0092 -0.0090 1792 GLU 90 OE2 -0.0116 0.0052 -0.0086 1793 PHE 91 N -0.0079 0.0027 -0.0108 1794 PHE 91 CA -0.0069 0.0028 -0.0112 1795 PHE 91 C -0.0062 0.0027 -0.0133 1796 PHE 91 O -0.0064 0.0026 -0.0142 1797 PHE 91 CB -0.0081 0.0027 -0.0108 1798 PHE 91 CG -0.0090 0.0027 -0.0089 1799 PHE 91 CD1 -0.0080 0.0031 -0.0073 1800 PHE 91 CD2 -0.0108 0.0025 -0.0087 1801 PHE 91 CE1 -0.0089 0.0031 -0.0055 1802 PHE 91 CE2 -0.0116 0.0025 -0.0069 1803 PHE 91 CZ -0.0107 0.0029 -0.0054 1804 VAL 92 N -0.0054 0.0028 -0.0140 1805 VAL 92 CA -0.0050 0.0026 -0.0159 1806 VAL 92 C -0.0035 0.0028 -0.0166 1807 VAL 92 O -0.0036 0.0026 -0.0182 1808 VAL 92 CB -0.0044 0.0027 -0.0163 1809 VAL 92 CG1 -0.0030 0.0031 -0.0149 1810 VAL 92 CG2 -0.0036 0.0026 -0.0183 1811 GLN 93 N -0.0025 -0.0044 -0.0177 1812 GLN 93 CA 0.0010 -0.0038 -0.0191 1813 GLN 93 C 0.0007 -0.0037 -0.0205 1814 GLN 93 O 0.0023 -0.0033 -0.0235 1815 GLN 93 CB 0.0041 -0.0039 -0.0161 1816 GLN 93 CG 0.0035 -0.0042 -0.0134 1817 GLN 93 CD 0.0017 -0.0048 -0.0097 1818 GLN 93 NE2 0.0009 -0.0051 -0.0073 1819 GLN 93 OE1 0.0011 -0.0049 -0.0091 1820 TRP 94 N -0.0012 -0.0041 -0.0185 1821 TRP 94 CA -0.0013 -0.0041 -0.0193 1822 TRP 94 C -0.0048 -0.0042 -0.0215 1823 TRP 94 O -0.0079 -0.0046 -0.0202 1824 TRP 94 CB -0.0010 -0.0044 -0.0158 1825 TRP 94 CG 0.0021 -0.0044 -0.0132 1826 TRP 94 CD1 0.0018 -0.0048 -0.0098 1827 TRP 94 CD2 0.0060 -0.0039 -0.0138 1828 TRP 94 CE2 0.0080 -0.0041 -0.0107 1829 TRP 94 CE3 0.0081 -0.0034 -0.0167 1830 TRP 94 NE1 0.0053 -0.0046 -0.0083 1831 TRP 94 CZ2 0.0118 -0.0037 -0.0103 1832 TRP 94 CZ3 0.0119 -0.0030 -0.0163 1833 TRP 94 CH2 0.0138 -0.0032 -0.0132 1834 SER 95 N -0.0169 -0.0131 -0.0116 1835 SER 95 CA -0.0165 -0.0114 -0.0120 1836 SER 95 C -0.0154 -0.0118 -0.0127 1837 SER 95 O -0.0155 -0.0111 -0.0128 1838 SER 95 CB -0.0160 -0.0101 -0.0125 1839 SER 95 OG -0.0172 -0.0092 -0.0118 1840 MET 96 N -0.0142 -0.0129 -0.0134 1841 MET 96 CA -0.0132 -0.0137 -0.0140 1842 MET 96 C -0.0124 -0.0154 -0.0143 1843 MET 96 O -0.0120 -0.0154 -0.0146 1844 MET 96 CB -0.0120 -0.0125 -0.0149 1845 MET 96 CG -0.0117 -0.0126 -0.0151 1846 MET 96 SD -0.0131 -0.0119 -0.0142 1847 MET 96 CE -0.0134 -0.0097 -0.0143 1848 LYS 97 N -0.0031 -0.0090 -0.0101 1849 LYS 97 CA -0.0012 -0.0084 -0.0083 1850 LYS 97 C -0.0015 -0.0096 -0.0058 1851 LYS 97 O -0.0033 -0.0111 -0.0053 1852 LYS 97 CB -0.0006 -0.0081 -0.0083 1853 LYS 97 CG 0.0017 -0.0068 -0.0074 1854 LYS 97 CD 0.0032 -0.0055 -0.0082 1855 LYS 97 CE 0.0055 -0.0040 -0.0079 1856 LYS 97 NZ 0.0070 -0.0027 -0.0087 1857 LEU 98 N 0.0003 -0.0091 -0.0043 1858 LEU 98 CA 0.0003 -0.0101 -0.0018 1859 LEU 98 C 0.0016 -0.0099 0.0000 1860 LEU 98 O 0.0034 -0.0086 -0.0003 1861 LEU 98 CB 0.0011 -0.0097 -0.0014 1862 LEU 98 CG 0.0010 -0.0107 0.0009 1863 LEU 98 CD1 -0.0011 -0.0125 0.0017 1864 LEU 98 CD2 0.0012 -0.0104 0.0006 1865 VAL 99 N 0.0019 -0.0029 0.0011 1866 VAL 99 CA 0.0022 -0.0019 0.0018 1867 VAL 99 C 0.0027 -0.0035 0.0049 1868 VAL 99 O 0.0022 -0.0063 0.0052 1869 VAL 99 CB 0.0015 -0.0027 -0.0008 1870 VAL 99 CG1 0.0007 -0.0062 -0.0016 1871 VAL 99 CG2 0.0018 -0.0019 0.0001 1872 GLN 100 N 0.0035 -0.0015 0.0072 1873 GLN 100 CA 0.0040 -0.0027 0.0103 1874 GLN 100 C 0.0040 -0.0027 0.0104 1875 GLN 100 O 0.0039 -0.0011 0.0086 1876 GLN 100 CB 0.0050 -0.0007 0.0129 1877 GLN 100 CG 0.0050 -0.0016 0.0138 1878 GLN 100 CD 0.0057 0.0013 0.0143 1879 GLN 100 NE2 0.0061 0.0010 0.0165 1880 GLN 100 OE1 0.0057 0.0038 0.0127 1881 ILE 101 N 0.0019 0.0067 0.0118 1882 ILE 101 CA 0.0022 0.0054 0.0139 1883 ILE 101 C 0.0055 0.0081 0.0236 1884 ILE 101 O 0.0057 0.0042 0.0280 1885 ILE 101 CB -0.0009 -0.0044 0.0125 1886 ILE 101 CG1 -0.0009 -0.0112 0.0192 1887 ILE 101 CG2 -0.0042 -0.0067 0.0026 1888 ILE 101 CD1 -0.0028 -0.0201 0.0212 1889 ASP 102 N 0.0082 0.0146 0.0270 1890 ASP 102 CA 0.0116 0.0174 0.0363 1891 ASP 102 C 0.0129 0.0205 0.0381 1892 ASP 102 O 0.0129 0.0156 0.0430 1893 ASP 102 CB 0.0142 0.0252 0.0382 1894 ASP 102 CG 0.0141 0.0327 0.0305 1895 ASP 102 OD1 0.0131 0.0340 0.0256 1896 ASP 102 OD2 0.0150 0.0372 0.0293 1897 SER 105 N 0.0217 0.0314 0.0377 1898 SER 105 CA 0.0147 0.0305 0.0311 1899 SER 105 C 0.0117 0.0267 0.0281 1900 SER 105 O 0.0146 0.0212 0.0308 1901 SER 105 CB 0.0133 0.0245 0.0296 1902 SER 105 OG 0.0133 0.0154 0.0294 1903 PRO 106 N 0.0058 0.0296 0.0225 1904 PRO 106 CA 0.0025 0.0260 0.0192 1905 PRO 106 C 0.0012 0.0161 0.0179 1906 PRO 106 O 0.0007 0.0127 0.0173 1907 PRO 106 CB -0.0039 0.0314 0.0133 1908 PRO 106 CG -0.0046 0.0355 0.0127 1909 PRO 106 CD 0.0021 0.0368 0.0191 1910 GLU 107 N -0.0013 0.0049 0.0126 1911 GLU 107 CA -0.0005 -0.0011 0.0102 1912 GLU 107 C -0.0042 -0.0022 0.0068 1913 GLU 107 O -0.0035 -0.0069 0.0050 1914 GLU 107 CB -0.0008 -0.0043 0.0084 1915 GLU 107 CG -0.0059 -0.0027 0.0053 1916 GLU 107 CD -0.0090 -0.0066 0.0010 1917 GLU 107 OE1 -0.0070 -0.0117 -0.0000 1918 GLU 107 OE2 -0.0136 -0.0045 -0.0014 1919 LYS 108 N -0.0081 0.0021 0.0060 1920 LYS 108 CA -0.0116 0.0013 0.0030 1921 LYS 108 C -0.0091 0.0001 0.0043 1922 LYS 108 O -0.0102 -0.0033 0.0018 1923 LYS 108 CB -0.0161 0.0065 0.0022 1924 LYS 108 CG -0.0199 0.0062 -0.0008 1925 LYS 108 CD -0.0208 0.0111 0.0010 1926 LYS 108 CE -0.0250 0.0111 -0.0022 1927 LYS 108 NZ -0.0270 0.0167 -0.0009 1928 MET 109 N -0.0052 0.0017 0.0004 1929 MET 109 CA -0.0042 -0.0013 0.0013 1930 MET 109 C -0.0026 -0.0076 0.0025 1931 MET 109 O -0.0033 -0.0116 0.0009 1932 MET 109 CB -0.0017 0.0020 0.0053 1933 MET 109 CG -0.0035 0.0059 0.0035 1934 MET 109 SD -0.0005 0.0093 0.0081 1935 MET 109 CE -0.0027 0.0165 0.0063 1936 ARG 110 N -0.0005 -0.0085 0.0053 1937 ARG 110 CA 0.0009 -0.0145 0.0063 1938 ARG 110 C -0.0019 -0.0179 0.0018 1939 ARG 110 O -0.0017 -0.0232 0.0013 1940 ARG 110 CB 0.0037 -0.0144 0.0102 1941 ARG 110 CG 0.0070 -0.0121 0.0150 1942 ARG 110 CD 0.0092 -0.0105 0.0184 1943 ARG 110 NE 0.0097 -0.0044 0.0200 1944 ARG 110 CZ 0.0097 -0.0010 0.0206 1945 ARG 110 NH1 0.0093 -0.0031 0.0196 1946 ARG 110 NH2 0.0102 0.0045 0.0221 1947 ARG 111 N -0.0045 -0.0179 -0.0038 1948 ARG 111 CA -0.0069 -0.0197 -0.0049 1949 ARG 111 C -0.0066 -0.0172 -0.0025 1950 ARG 111 O -0.0057 -0.0182 -0.0037 1951 ARG 111 CB -0.0120 -0.0214 -0.0049 1952 ARG 111 CG -0.0146 -0.0238 -0.0064 1953 ARG 111 CD -0.0130 -0.0272 -0.0103 1954 ARG 111 NE -0.0159 -0.0299 -0.0120 1955 ARG 111 CZ -0.0201 -0.0317 -0.0124 1956 ARG 111 NH1 -0.0221 -0.0311 -0.0112 1957 ARG 111 NH2 -0.0225 -0.0341 -0.0140 1958 LEU 112 N -0.0073 -0.0140 0.0009 1959 LEU 112 CA -0.0069 -0.0114 0.0033 1960 LEU 112 C -0.0018 -0.0104 0.0027 1961 LEU 112 O -0.0010 -0.0099 0.0029 1962 LEU 112 CB -0.0087 -0.0082 0.0071 1963 LEU 112 CG -0.0138 -0.0089 0.0081 1964 LEU 112 CD1 -0.0157 -0.0056 0.0120 1965 LEU 112 CD2 -0.0168 -0.0118 0.0062 1966 TYR 113 N -0.0055 -0.0107 0.0033 1967 TYR 113 CA -0.0028 -0.0076 0.0011 1968 TYR 113 C -0.0013 -0.0057 -0.0012 1969 TYR 113 O 0.0015 -0.0028 -0.0005 1970 TYR 113 CB -0.0038 -0.0083 -0.0023 1971 TYR 113 CG -0.0037 -0.0084 -0.0005 1972 TYR 113 CD1 -0.0011 -0.0059 0.0021 1973 TYR 113 CD2 -0.0061 -0.0109 -0.0014 1974 TYR 113 CE1 -0.0010 -0.0059 0.0037 1975 TYR 113 CE2 -0.0060 -0.0110 0.0002 1976 TYR 113 CZ -0.0035 -0.0085 0.0028 1977 TYR 113 OH -0.0033 -0.0085 0.0045 1978 LEU 114 N -0.0031 -0.0074 -0.0039 1979 LEU 114 CA -0.0018 -0.0058 -0.0063 1980 LEU 114 C -0.0005 -0.0047 -0.0030 1981 LEU 114 O 0.0017 -0.0022 -0.0039 1982 LEU 114 CB -0.0043 -0.0081 -0.0095 1983 LEU 114 CG -0.0033 -0.0066 -0.0135 1984 LEU 114 CD1 -0.0024 -0.0052 -0.0172 1985 LEU 114 CD2 -0.0058 -0.0091 -0.0153 1986 LYS 115 N -0.0012 -0.0055 0.0025 1987 LYS 115 CA -0.0014 -0.0044 0.0066 1988 LYS 115 C -0.0005 -0.0001 0.0079 1989 LYS 115 O -0.0001 0.0021 0.0097 1990 LYS 115 CB -0.0025 -0.0074 0.0097 1991 LYS 115 CG -0.0030 -0.0077 0.0136 1992 LYS 115 CD -0.0038 -0.0091 0.0171 1993 LYS 115 CE -0.0050 -0.0134 0.0182 1994 LYS 115 NZ -0.0057 -0.0144 0.0222 1995 TYR 116 N -0.0001 0.0011 0.0070 1996 TYR 116 CA 0.0008 0.0049 0.0084 1997 TYR 116 C 0.0019 0.0080 0.0050 1998 TYR 116 O 0.0025 0.0105 0.0053 1999 TYR 116 CB 0.0004 0.0044 0.0107 2000 TYR 116 CG -0.0007 0.0018 0.0144 2001 TYR 116 CD1 -0.0008 0.0031 0.0180 2002 TYR 116 CD2 -0.0017 -0.0020 0.0143 2003 TYR 116 CE1 -0.0018 0.0007 0.0214 2004 TYR 116 CE2 -0.0026 -0.0044 0.0177 2005 TYR 116 CZ -0.0027 -0.0031 0.0212 2006 TYR 116 OH -0.0037 -0.0055 0.0246 2007 SER 117 N 0.0052 0.0114 0.0059 2008 SER 117 CA 0.0061 0.0171 -0.0003 2009 SER 117 C 0.0057 0.0201 -0.0067 2010 SER 117 O 0.0039 0.0168 -0.0074 2011 SER 117 CB 0.0032 0.0136 -0.0044 2012 SER 117 OG -0.0008 0.0083 -0.0099 2013 GLY 118 N 0.0074 0.0265 -0.0116 2014 GLY 118 CA 0.0070 0.0299 -0.0184 2015 GLY 118 C 0.0039 0.0286 -0.0269 2016 GLY 118 O 0.0037 0.0318 -0.0331 2017 GLU 119 N 0.0045 0.0262 -0.0265 2018 GLU 119 CA 0.0016 0.0253 -0.0321 2019 GLU 119 C -0.0030 0.0189 -0.0323 2020 GLU 119 O -0.0037 0.0152 -0.0271 2021 GLU 119 CB 0.0033 0.0274 -0.0318 2022 GLU 119 CG 0.0083 0.0331 -0.0298 2023 GLU 119 CD 0.0096 0.0380 -0.0355 2024 GLU 119 OE1 0.0072 0.0377 -0.0411 2025 GLU 119 OE2 0.0130 0.0421 -0.0344 2026 VAL 120 N -0.0062 0.0178 -0.0382 2027 VAL 120 CA -0.0108 0.0119 -0.0391 2028 VAL 120 C -0.0122 0.0086 -0.0365 2029 VAL 120 O -0.0144 0.0037 -0.0331 2030 VAL 120 CB -0.0137 0.0118 -0.0463 2031 VAL 120 CG1 -0.0135 0.0129 -0.0480 2032 VAL 120 CG2 -0.0122 0.0162 -0.0508 2033 ALA 121 N -0.0073 0.0115 -0.0303 2034 ALA 121 CA -0.0087 0.0091 -0.0259 2035 ALA 121 C -0.0052 0.0082 -0.0208 2036 ALA 121 O -0.0010 0.0098 -0.0209 2037 ALA 121 CB -0.0082 0.0097 -0.0269 2038 PHE 122 N -0.0069 0.0057 -0.0164 2039 PHE 122 CA -0.0038 0.0047 -0.0113 2040 PHE 122 C 0.0012 0.0063 -0.0107 2041 PHE 122 O 0.0010 0.0060 -0.0104 2042 PHE 122 CB -0.0072 0.0016 -0.0069 2043 PHE 122 CG -0.0045 0.0003 -0.0016 2044 PHE 122 CD1 -0.0008 0.0014 -0.0010 2045 PHE 122 CD2 -0.0056 -0.0019 0.0028 2046 PHE 122 CE1 0.0017 0.0002 0.0039 2047 PHE 122 CE2 -0.0031 -0.0031 0.0077 2048 PHE 122 CZ 0.0005 -0.0020 0.0083 2049 MET 123 N 0.0003 0.0064 -0.0095 2050 MET 123 CA 0.0026 0.0102 -0.0096 2051 MET 123 C 0.0044 0.0115 -0.0053 2052 MET 123 O 0.0055 0.0131 -0.0045 2053 MET 123 CB 0.0033 0.0128 -0.0131 2054 MET 123 CG 0.0041 0.0153 -0.0159 2055 MET 123 SD 0.0051 0.0185 -0.0197 2056 MET 123 CE 0.0026 0.0153 -0.0224 2057 PRO 124 N 0.0047 0.0108 -0.0023 2058 PRO 124 CA 0.0062 0.0115 0.0021 2059 PRO 124 C 0.0088 0.0155 0.0029 2060 PRO 124 O 0.0102 0.0166 0.0062 2061 PRO 124 CB 0.0052 0.0089 0.0047 2062 PRO 124 CG 0.0036 0.0074 0.0017 2063 PRO 124 CD 0.0036 0.0092 -0.0027 2064 GLU 125 N 0.0068 0.0140 0.0013 2065 GLU 125 CA 0.0102 0.0158 0.0018 2066 GLU 125 C 0.0126 0.0190 0.0000 2067 GLU 125 O 0.0158 0.0206 0.0007 2068 GLU 125 CB 0.0093 0.0163 0.0007 2069 GLU 125 CG 0.0078 0.0187 -0.0031 2070 GLU 125 CD 0.0035 0.0172 -0.0046 2071 GLU 125 OE1 0.0018 0.0143 -0.0027 2072 GLU 125 OE2 0.0019 0.0189 -0.0076 2073 THR 126 N 0.0110 0.0200 -0.0022 2074 THR 126 CA 0.0131 0.0228 -0.0038 2075 THR 126 C 0.0147 0.0222 -0.0019 2076 THR 126 O 0.0163 0.0244 -0.0031 2077 THR 126 CB 0.0106 0.0245 -0.0074 2078 THR 126 CG2 0.0090 0.0252 -0.0093 2079 THR 126 OG1 0.0076 0.0225 -0.0074 2080 MET 127 N 0.0060 0.0197 0.0017 2081 MET 127 CA 0.0056 0.0186 0.0041 2082 MET 127 C 0.0058 0.0204 0.0062 2083 MET 127 O 0.0061 0.0219 0.0060 2084 MET 127 CB 0.0051 0.0163 0.0043 2085 MET 127 CG 0.0046 0.0139 0.0033 2086 MET 127 SD 0.0040 0.0114 0.0037 2087 MET 127 CE 0.0037 0.0091 0.0017 2088 THR 128 N 0.0056 0.0202 0.0082 2089 THR 128 CA 0.0056 0.0215 0.0106 2090 THR 128 C 0.0052 0.0202 0.0119 2091 THR 128 O 0.0048 0.0180 0.0115 2092 THR 128 CB 0.0055 0.0217 0.0122 2093 THR 128 CG2 0.0058 0.0222 0.0107 2094 THR 128 OG1 0.0049 0.0194 0.0135 2095 PRO 129 N 0.0029 0.0202 0.0095 2096 PRO 129 CA 0.0030 0.0177 0.0110 2097 PRO 129 C 0.0032 0.0157 0.0125 2098 PRO 129 O 0.0027 0.0131 0.0127 2099 PRO 129 CB 0.0041 0.0190 0.0128 2100 PRO 129 CG 0.0047 0.0222 0.0125 2101 PRO 129 CD 0.0037 0.0229 0.0099 2102 ALA 130 N 0.0040 0.0169 0.0137 2103 ALA 130 CA 0.0043 0.0151 0.0153 2104 ALA 130 C 0.0031 0.0132 0.0135 2105 ALA 130 O 0.0028 0.0106 0.0142 2106 ALA 130 CB 0.0054 0.0170 0.0167 2107 GLN 131 N 0.0028 0.0153 0.0155 2108 GLN 131 CA 0.0016 0.0131 0.0133 2109 GLN 131 C 0.0006 0.0106 0.0120 2110 GLN 131 O -0.0000 0.0077 0.0117 2111 GLN 131 CB 0.0010 0.0152 0.0106 2112 GLN 131 CG 0.0017 0.0172 0.0116 2113 GLN 131 CD 0.0012 0.0198 0.0090 2114 GLN 131 NE2 0.0018 0.0214 0.0095 2115 GLN 131 OE1 0.0004 0.0202 0.0065 2116 CYS 132 N 0.0006 0.0117 0.0113 2117 CYS 132 CA -0.0003 0.0094 0.0102 2118 CYS 132 C 0.0001 0.0066 0.0128 2119 CYS 132 O -0.0007 0.0036 0.0120 2120 CYS 132 CB -0.0002 0.0113 0.0093 2121 CYS 132 SG -0.0012 0.0138 0.0056 2122 LEU 133 N -0.0060 0.0073 0.0125 2123 LEU 133 CA -0.0054 0.0067 0.0126 2124 LEU 133 C -0.0039 0.0048 0.0139 2125 LEU 133 O -0.0024 0.0039 0.0131 2126 LEU 133 CB -0.0071 0.0078 0.0138 2127 LEU 133 CG -0.0067 0.0073 0.0142 2128 LEU 133 CD1 -0.0058 0.0073 0.0119 2129 LEU 133 CD2 -0.0085 0.0084 0.0155 2130 GLN 134 N -0.0041 0.0042 0.0160 2131 GLN 134 CA -0.0026 0.0024 0.0173 2132 GLN 134 C -0.0007 0.0013 0.0159 2133 GLN 134 O 0.0008 -0.0000 0.0159 2134 GLN 134 CB -0.0033 0.0021 0.0197 2135 GLN 134 CG -0.0045 0.0025 0.0217 2136 GLN 134 CD -0.0035 0.0014 0.0222 2137 GLN 134 NE2 -0.0047 0.0021 0.0230 2138 GLN 134 OE1 -0.0018 -0.0000 0.0220 2139 PHE 135 N -0.0045 -0.0002 0.0134 2140 PHE 135 CA -0.0035 -0.0012 0.0119 2141 PHE 135 C -0.0028 -0.0021 0.0101 2142 PHE 135 O -0.0015 -0.0036 0.0097 2143 PHE 135 CB -0.0045 -0.0002 0.0108 2144 PHE 135 CG -0.0037 -0.0011 0.0090 2145 PHE 135 CD1 -0.0023 -0.0027 0.0094 2146 PHE 135 CD2 -0.0044 -0.0004 0.0069 2147 PHE 135 CE1 -0.0016 -0.0036 0.0077 2148 PHE 135 CE2 -0.0037 -0.0013 0.0052 2149 PHE 135 CZ -0.0023 -0.0028 0.0056 2150 MET 136 N -0.0037 -0.0012 0.0092 2151 MET 136 CA -0.0031 -0.0019 0.0074 2152 MET 136 C -0.0020 -0.0031 0.0083 2153 MET 136 O -0.0011 -0.0041 0.0070 2154 MET 136 CB -0.0045 -0.0004 0.0061 2155 MET 136 CG -0.0052 0.0004 0.0045 2156 MET 136 SD -0.0044 -0.0006 0.0017 2157 MET 136 CE -0.0041 -0.0009 0.0012 2158 ILE 137 N -0.0028 -0.0006 0.0110 2159 ILE 137 CA -0.0023 -0.0018 0.0123 2160 ILE 137 C -0.0006 -0.0040 0.0127 2161 ILE 137 O 0.0005 -0.0052 0.0123 2162 ILE 137 CB -0.0036 -0.0012 0.0146 2163 ILE 137 CG1 -0.0049 0.0006 0.0141 2164 ILE 137 CG2 -0.0029 -0.0029 0.0164 2165 ILE 137 CD1 -0.0064 0.0015 0.0163 2166 ASP 138 N -0.0005 -0.0045 0.0136 2167 ASP 138 CA 0.0009 -0.0066 0.0144 2168 ASP 138 C 0.0025 -0.0077 0.0124 2169 ASP 138 O 0.0038 -0.0095 0.0128 2170 ASP 138 CB 0.0005 -0.0068 0.0158 2171 ASP 138 CG -0.0008 -0.0062 0.0182 2172 ASP 138 OD1 -0.0014 -0.0057 0.0188 2173 ASP 138 OD2 -0.0012 -0.0063 0.0196 2174 ILE 139 N 0.0001 -0.0055 0.0120 2175 ILE 139 CA 0.0023 -0.0065 0.0094 2176 ILE 139 C 0.0032 -0.0070 0.0054 2177 ILE 139 O 0.0043 -0.0077 0.0026 2178 ILE 139 CB 0.0004 -0.0057 0.0087 2179 ILE 139 CG1 -0.0029 -0.0043 0.0059 2180 ILE 139 CG2 -0.0008 -0.0051 0.0126 2181 ILE 139 CD1 -0.0040 -0.0038 0.0040 2182 ASP 140 N 0.0027 -0.0068 0.0052 2183 ASP 140 CA 0.0036 -0.0073 0.0015 2184 ASP 140 C 0.0077 -0.0092 0.0009 2185 ASP 140 O 0.0098 -0.0101 0.0036 2186 ASP 140 CB 0.0022 -0.0067 0.0018 2187 ASP 140 CG 0.0019 -0.0067 -0.0022 2188 ASP 140 OD1 0.0032 -0.0073 -0.0052 2189 ASP 140 OD2 0.0005 -0.0060 -0.0024 2190 PRO 141 N 0.0094 -0.0106 0.0003 2191 PRO 141 CA 0.0149 -0.0127 -0.0006 2192 PRO 141 C 0.0174 -0.0136 -0.0003 2193 PRO 141 O 0.0218 -0.0153 0.0010 2194 PRO 141 CB 0.0155 -0.0128 -0.0062 2195 PRO 141 CG 0.0107 -0.0110 -0.0073 2196 PRO 141 CD 0.0068 -0.0095 -0.0035 2197 ALA 142 N 0.0146 -0.0125 -0.0015 2198 ALA 142 CA 0.0166 -0.0133 -0.0012 2199 ALA 142 C 0.0168 -0.0135 0.0045 2200 ALA 142 O 0.0175 -0.0138 0.0052 2201 ALA 142 CB 0.0136 -0.0121 -0.0047 2202 ARG 143 N 0.0190 -0.0179 0.0047 2203 ARG 143 CA 0.0183 -0.0194 0.0106 2204 ARG 143 C 0.0221 -0.0231 0.0127 2205 ARG 143 O 0.0221 -0.0247 0.0176 2206 ARG 143 CB 0.0139 -0.0168 0.0130 2207 ARG 143 CG 0.0098 -0.0139 0.0136 2208 ARG 143 CD 0.0055 -0.0114 0.0160 2209 ARG 143 NE 0.0016 -0.0088 0.0170 2210 ARG 143 CZ -0.0008 -0.0057 0.0135 2211 ARG 143 NH1 0.0001 -0.0047 0.0085 2212 ARG 143 NH2 -0.0042 -0.0036 0.0149 2213 SER 144 N 0.0254 -0.0244 0.0092 2214 SER 144 CA 0.0293 -0.0279 0.0108 2215 SER 144 C 0.0279 -0.0285 0.0156 2216 SER 144 O 0.0295 -0.0311 0.0197 2217 SER 144 CB 0.0327 -0.0309 0.0120 2218 SER 144 OG 0.0306 -0.0305 0.0154