1 MET 0 N 0.0042 -0.0053 -0.0014 2 MET 0 H1 -0.0003 -0.0057 -0.0031 3 MET 0 H2 0.0040 -0.0065 -0.0017 4 MET 0 H3 0.0051 -0.0009 -0.0002 5 MET 0 CA 0.0074 -0.0102 -0.0013 6 MET 0 HA 0.0059 -0.0147 -0.0027 7 MET 0 CB 0.0062 -0.0087 -0.0014 8 MET 0 HB1 0.0014 -0.0081 -0.0030 9 MET 0 HB2 0.0077 -0.0041 0.0000 10 MET 0 CG 0.0088 -0.0132 -0.0015 11 MET 0 HG1 0.0137 -0.0137 0.0001 12 MET 0 HG2 0.0068 -0.0177 -0.0030 13 MET 0 SD 0.0078 -0.0107 -0.0013 14 MET 0 CE 0.0130 -0.0049 0.0017 15 MET 0 HE1 0.0127 -0.0029 0.0020 16 MET 0 HE2 0.0132 -0.0017 0.0024 17 MET 0 HE3 0.0175 -0.0070 0.0028 18 MET 0 C 0.0139 -0.0100 0.0010 19 MET 0 O 0.0176 -0.0101 0.0022 20 GLN 1 N 0.0160 -0.0100 0.0017 21 GLN 1 HN 0.0134 -0.0108 0.0006 22 GLN 1 CA 0.0222 -0.0097 0.0039 23 GLN 1 HA 0.0250 -0.0120 0.0044 24 GLN 1 CB 0.0241 -0.0030 0.0059 25 GLN 1 HB1 0.0214 0.0001 0.0056 26 GLN 1 HB2 0.0282 -0.0037 0.0072 27 GLN 1 CG 0.0254 0.0002 0.0070 28 GLN 1 HG1 0.0287 -0.0023 0.0076 29 GLN 1 HG2 0.0212 0.0005 0.0056 30 GLN 1 CD 0.0280 0.0060 0.0091 31 GLN 1 OE1 0.0298 0.0079 0.0101 32 GLN 1 NE2 0.0293 0.0093 0.0102 33 GLN 1 HE21 0.0303 0.0072 0.0101 34 GLN 1 HE22 0.0304 0.0135 0.0114 35 GLN 1 C 0.0221 -0.0124 0.0033 36 GLN 1 O 0.0175 -0.0130 0.0016 37 ASP 2 N 0.0202 -0.0083 0.0004 38 ASP 2 HN 0.0224 -0.0087 0.0013 39 ASP 2 CA 0.0183 -0.0081 -0.0010 40 ASP 2 HA 0.0180 -0.0088 -0.0036 41 ASP 2 CB 0.0202 -0.0085 -0.0002 42 ASP 2 HB1 0.0227 -0.0096 -0.0011 43 ASP 2 HB2 0.0205 -0.0077 0.0024 44 ASP 2 CG 0.0186 -0.0084 -0.0019 45 ASP 2 OD1 0.0188 -0.0095 -0.0049 46 ASP 2 OD2 0.0169 -0.0073 -0.0003 47 ASP 2 C 0.0146 -0.0065 -0.0003 48 ASP 2 O 0.0126 -0.0065 -0.0024 49 PRO 3 N 0.0135 -0.0052 0.0027 50 PRO 3 CD 0.0155 -0.0049 0.0058 51 PRO 3 HD1 0.0168 -0.0051 0.0066 52 PRO 3 HD2 0.0172 -0.0056 0.0055 53 PRO 3 CA 0.0102 -0.0039 0.0033 54 PRO 3 HA 0.0095 -0.0038 0.0027 55 PRO 3 CB 0.0101 -0.0026 0.0070 56 PRO 3 HB1 0.0101 -0.0025 0.0074 57 PRO 3 HB2 0.0079 -0.0016 0.0080 58 PRO 3 CG 0.0132 -0.0033 0.0085 59 PRO 3 HG1 0.0141 -0.0028 0.0107 60 PRO 3 HG2 0.0133 -0.0031 0.0091 61 PRO 3 C 0.0079 -0.0037 0.0014 62 PRO 3 O 0.0051 -0.0030 0.0005 63 TYR 4 N 0.0054 -0.0027 0.0000 64 TYR 4 HN 0.0065 -0.0032 0.0005 65 TYR 4 CA 0.0047 -0.0026 -0.0013 66 TYR 4 HA 0.0036 -0.0020 -0.0008 67 TYR 4 CB 0.0059 -0.0032 -0.0016 68 TYR 4 HB1 0.0070 -0.0038 -0.0020 69 TYR 4 HB2 0.0055 -0.0032 -0.0026 70 TYR 4 CG 0.0062 -0.0031 0.0002 71 TYR 4 CD1 0.0076 -0.0035 0.0013 72 TYR 4 HD1 0.0083 -0.0039 0.0010 73 TYR 4 CE1 0.0080 -0.0035 0.0029 74 TYR 4 HE1 0.0089 -0.0038 0.0038 75 TYR 4 CZ 0.0071 -0.0029 0.0034 76 TYR 4 OH 0.0074 -0.0028 0.0050 77 TYR 4 HH 0.0078 -0.0028 0.0059 78 TYR 4 CD2 0.0053 -0.0025 0.0007 79 TYR 4 HD2 0.0043 -0.0022 -0.0002 80 TYR 4 CE2 0.0057 -0.0025 0.0023 81 TYR 4 HE2 0.0051 -0.0021 0.0026 82 TYR 4 C 0.0042 -0.0026 -0.0030 83 TYR 4 O 0.0028 -0.0021 -0.0037 84 VAL 5 N 0.0052 -0.0033 -0.0037 85 VAL 5 HN 0.0064 -0.0038 -0.0034 86 VAL 5 CA 0.0047 -0.0033 -0.0052 87 VAL 5 HA 0.0042 -0.0032 -0.0063 88 VAL 5 CB 0.0061 -0.0040 -0.0059 89 VAL 5 HB 0.0066 -0.0041 -0.0049 90 VAL 5 CG1 0.0055 -0.0041 -0.0077 91 VAL 5 HG11 0.0055 -0.0043 -0.0088 92 VAL 5 HG12 0.0063 -0.0045 -0.0079 93 VAL 5 HG13 0.0043 -0.0035 -0.0077 94 VAL 5 CG2 0.0073 -0.0047 -0.0064 95 VAL 5 HG21 0.0067 -0.0046 -0.0072 96 VAL 5 HG22 0.0078 -0.0048 -0.0051 97 VAL 5 HG23 0.0081 -0.0053 -0.0073 98 VAL 5 C 0.0034 -0.0026 -0.0047 99 VAL 5 O 0.0022 -0.0021 -0.0057 100 LYS 6 N 0.0054 -0.0013 -0.0039 101 LYS 6 HN 0.0063 -0.0021 -0.0031 102 LYS 6 CA 0.0031 -0.0007 -0.0035 103 LYS 6 HA 0.0025 0.0002 -0.0047 104 LYS 6 CB 0.0026 -0.0016 -0.0017 105 LYS 6 HB1 0.0037 -0.0018 -0.0020 106 LYS 6 HB2 0.0033 -0.0026 -0.0004 107 LYS 6 CG 0.0002 -0.0012 -0.0010 108 LYS 6 HG1 -0.0007 -0.0009 -0.0009 109 LYS 6 HG2 -0.0002 -0.0003 -0.0022 110 LYS 6 CD -0.0003 -0.0022 0.0011 111 LYS 6 HD1 0.0005 -0.0024 0.0010 112 LYS 6 HD2 0.0002 -0.0030 0.0021 113 LYS 6 CE -0.0027 -0.0018 0.0018 114 LYS 6 HE1 -0.0032 -0.0026 0.0034 115 LYS 6 HE2 -0.0036 -0.0013 0.0014 116 LYS 6 NZ -0.0036 -0.0009 0.0008 117 LYS 6 HZ1 -0.0032 -0.0001 -0.0007 118 LYS 6 HZ2 -0.0031 -0.0015 0.0016 119 LYS 6 HZ3 -0.0053 -0.0005 0.0012 120 LYS 6 C 0.0017 -0.0005 -0.0030 121 LYS 6 O 0.0001 0.0005 -0.0038 122 GLU 7 N 0.0023 -0.0014 -0.0018 123 GLU 7 HN 0.0037 -0.0022 -0.0012 124 GLU 7 CA 0.0011 -0.0012 -0.0014 125 GLU 7 HA -0.0007 -0.0009 -0.0010 126 GLU 7 CB 0.0016 -0.0026 0.0006 127 GLU 7 HB1 0.0032 -0.0030 0.0003 128 GLU 7 HB2 0.0004 -0.0023 0.0008 129 GLU 7 CG 0.0010 -0.0035 0.0026 130 GLU 7 HG1 0.0017 -0.0036 0.0023 131 GLU 7 HG2 0.0017 -0.0044 0.0037 132 GLU 7 CD -0.0013 -0.0032 0.0034 133 GLU 7 OE1 -0.0028 -0.0024 0.0028 134 GLU 7 OE2 -0.0018 -0.0040 0.0050 135 GLU 7 C 0.0010 -0.0002 -0.0031 136 GLU 7 O -0.0006 0.0005 -0.0033 137 ALA 8 N 0.0029 0.0014 -0.0049 138 ALA 8 HN 0.0032 0.0010 -0.0048 139 ALA 8 CA 0.0032 0.0019 -0.0055 140 ALA 8 HA 0.0032 0.0021 -0.0057 141 ALA 8 CB 0.0038 0.0017 -0.0060 142 ALA 8 HB1 0.0040 0.0021 -0.0065 143 ALA 8 HB2 0.0042 0.0011 -0.0059 144 ALA 8 HB3 0.0038 0.0016 -0.0059 145 ALA 8 C 0.0027 0.0026 -0.0057 146 ALA 8 O 0.0026 0.0032 -0.0060 147 GLU 9 N 0.0024 0.0026 -0.0053 148 GLU 9 HN 0.0025 0.0022 -0.0051 149 GLU 9 CA 0.0018 0.0032 -0.0053 150 GLU 9 HA 0.0020 0.0036 -0.0058 151 GLU 9 CB 0.0017 0.0030 -0.0050 152 GLU 9 HB1 0.0017 0.0025 -0.0046 153 GLU 9 HB2 0.0012 0.0034 -0.0048 154 GLU 9 CG 0.0022 0.0030 -0.0055 155 GLU 9 HG1 0.0027 0.0025 -0.0056 156 GLU 9 HG2 0.0022 0.0029 -0.0053 157 GLU 9 CD 0.0023 0.0037 -0.0061 158 GLU 9 OE1 0.0018 0.0042 -0.0061 159 GLU 9 OE2 0.0029 0.0037 -0.0067 160 GLU 9 C 0.0012 0.0035 -0.0050 161 GLU 9 O 0.0009 0.0042 -0.0052 162 ASN 10 N -0.0002 0.0039 -0.0035 163 ASN 10 HN 0.0003 0.0032 -0.0031 164 ASN 10 CA -0.0012 0.0036 -0.0031 165 ASN 10 HA -0.0020 0.0043 -0.0034 166 ASN 10 CB -0.0016 0.0024 -0.0021 167 ASN 10 HB1 -0.0016 0.0021 -0.0019 168 ASN 10 HB2 -0.0008 0.0019 -0.0019 169 ASN 10 CG -0.0029 0.0023 -0.0018 170 ASN 10 OD1 -0.0032 0.0022 -0.0016 171 ASN 10 ND2 -0.0040 0.0027 -0.0019 172 ASN 10 HD21 -0.0039 0.0028 -0.0019 173 ASN 10 HD22 -0.0049 0.0029 -0.0018 174 ASN 10 C -0.0008 0.0040 -0.0034 175 ASN 10 O -0.0017 0.0046 -0.0036 176 LEU 11 N 0.0004 0.0037 -0.0035 177 LEU 11 HN 0.0011 0.0032 -0.0033 178 LEU 11 CA 0.0010 0.0040 -0.0038 179 LEU 11 HA 0.0004 0.0039 -0.0036 180 LEU 11 CB 0.0024 0.0033 -0.0036 181 LEU 11 HB1 0.0028 0.0034 -0.0037 182 LEU 11 HB2 0.0030 0.0037 -0.0040 183 LEU 11 CG 0.0026 0.0021 -0.0028 184 LEU 11 HG 0.0020 0.0017 -0.0023 185 LEU 11 CD1 0.0041 0.0018 -0.0028 186 LEU 11 HD11 0.0047 0.0023 -0.0034 187 LEU 11 HD12 0.0045 0.0009 -0.0023 188 LEU 11 HD13 0.0043 0.0020 -0.0030 189 LEU 11 CD2 0.0022 0.0019 -0.0026 190 LEU 11 HD21 0.0021 0.0011 -0.0019 191 LEU 11 HD22 0.0030 0.0022 -0.0029 192 LEU 11 HD23 0.0013 0.0025 -0.0028 193 LEU 11 C 0.0011 0.0052 -0.0047 194 LEU 11 O 0.0008 0.0057 -0.0050 195 LYS 12 N 0.0067 0.0044 -0.0056 196 LYS 12 HN 0.0066 0.0038 -0.0055 197 LYS 12 CA 0.0067 0.0057 -0.0056 198 LYS 12 HA 0.0075 0.0060 -0.0060 199 LYS 12 CB 0.0064 0.0057 -0.0055 200 LYS 12 HB1 0.0069 0.0051 -0.0057 201 LYS 12 HB2 0.0056 0.0054 -0.0051 202 LYS 12 CG 0.0063 0.0070 -0.0055 203 LYS 12 HG1 0.0056 0.0075 -0.0052 204 LYS 12 HG2 0.0070 0.0074 -0.0058 205 LYS 12 CD 0.0061 0.0071 -0.0054 206 LYS 12 HD1 0.0053 0.0066 -0.0050 207 LYS 12 HD2 0.0059 0.0080 -0.0053 208 LYS 12 CE 0.0069 0.0068 -0.0058 209 LYS 12 HE1 0.0074 0.0076 -0.0060 210 LYS 12 HE2 0.0075 0.0061 -0.0060 211 LYS 12 NZ 0.0066 0.0066 -0.0056 212 LYS 12 HZ1 0.0060 0.0071 -0.0053 213 LYS 12 HZ2 0.0072 0.0067 -0.0059 214 LYS 12 HZ3 0.0063 0.0058 -0.0055 215 LYS 12 C 0.0060 0.0064 -0.0053 216 LYS 12 O 0.0063 0.0073 -0.0055 217 LYS 13 N 0.0050 0.0061 -0.0049 218 LYS 13 HN 0.0047 0.0054 -0.0047 219 LYS 13 CA 0.0043 0.0067 -0.0045 220 LYS 13 HA 0.0043 0.0076 -0.0045 221 LYS 13 CB 0.0032 0.0063 -0.0040 222 LYS 13 HB1 0.0033 0.0054 -0.0040 223 LYS 13 HB2 0.0026 0.0067 -0.0037 224 LYS 13 CG 0.0028 0.0066 -0.0038 225 LYS 13 HG1 0.0027 0.0076 -0.0038 226 LYS 13 HG2 0.0033 0.0063 -0.0041 227 LYS 13 CD 0.0017 0.0061 -0.0033 228 LYS 13 HD1 0.0017 0.0052 -0.0032 229 LYS 13 HD2 0.0011 0.0064 -0.0030 230 LYS 13 CE 0.0012 0.0065 -0.0030 231 LYS 13 HE1 0.0003 0.0064 -0.0026 232 LYS 13 HE2 0.0012 0.0075 -0.0031 233 LYS 13 NZ 0.0016 0.0059 -0.0032 234 LYS 13 HZ1 0.0012 0.0061 -0.0030 235 LYS 13 HZ2 0.0024 0.0060 -0.0036 236 LYS 13 HZ3 0.0015 0.0050 -0.0032 237 LYS 13 C 0.0046 0.0067 -0.0047 238 LYS 13 O 0.0047 0.0076 -0.0047 239 TYR 14 N -0.0023 0.0103 -0.0036 240 TYR 14 HN -0.0009 0.0091 -0.0028 241 TYR 14 CA -0.0035 0.0097 -0.0024 242 TYR 14 HA -0.0059 0.0103 -0.0023 243 TYR 14 CB -0.0030 0.0072 0.0001 244 TYR 14 HB1 -0.0042 0.0066 0.0012 245 TYR 14 HB2 -0.0006 0.0063 0.0002 246 TYR 14 CG -0.0043 0.0067 0.0011 247 TYR 14 CD1 -0.0072 0.0065 0.0023 248 TYR 14 HD1 -0.0085 0.0068 0.0025 249 TYR 14 CE1 -0.0085 0.0061 0.0033 250 TYR 14 HE1 -0.0107 0.0059 0.0043 251 TYR 14 CZ -0.0066 0.0057 0.0030 252 TYR 14 OH -0.0077 0.0052 0.0041 253 TYR 14 HH -0.0061 0.0044 0.0043 254 TYR 14 CD2 -0.0025 0.0063 0.0009 255 TYR 14 HD2 -0.0002 0.0063 -0.0000 256 TYR 14 CE2 -0.0036 0.0060 0.0017 257 TYR 14 HE2 -0.0021 0.0056 0.0015 258 TYR 14 C -0.0026 0.0109 -0.0041 259 TYR 14 O -0.0043 0.0115 -0.0042 260 PHE 15 N 0.0003 0.0111 -0.0054 261 PHE 15 HN 0.0016 0.0104 -0.0050 262 PHE 15 CA 0.0014 0.0121 -0.0069 263 PHE 15 HA 0.0004 0.0119 -0.0063 264 PHE 15 CB 0.0046 0.0112 -0.0072 265 PHE 15 HB1 0.0062 0.0107 -0.0071 266 PHE 15 HB2 0.0057 0.0124 -0.0089 267 PHE 15 CG 0.0051 0.0093 -0.0052 268 PHE 15 CD1 0.0057 0.0095 -0.0057 269 PHE 15 HD1 0.0056 0.0111 -0.0073 270 PHE 15 CE1 0.0059 0.0077 -0.0037 271 PHE 15 HE1 0.0059 0.0079 -0.0039 272 PHE 15 CZ 0.0058 0.0058 -0.0015 273 PHE 15 HZ 0.0060 0.0044 -0.0001 274 PHE 15 CD2 0.0052 0.0074 -0.0031 275 PHE 15 HD2 0.0050 0.0073 -0.0029 276 PHE 15 CE2 0.0057 0.0055 -0.0012 277 PHE 15 HE2 0.0061 0.0040 0.0003 278 PHE 15 C 0.0007 0.0145 -0.0093 279 PHE 15 O 0.0011 0.0156 -0.0106 280 ASN 16 N 0.0141 0.0135 -0.0003 281 ASN 16 HN 0.0144 0.0135 0.0004 282 ASN 16 CA 0.0144 0.0132 0.0007 283 ASN 16 HA 0.0147 0.0125 0.0020 284 ASN 16 CB 0.0150 0.0149 0.0008 285 ASN 16 HB1 0.0156 0.0161 0.0012 286 ASN 16 HB2 0.0146 0.0154 -0.0006 287 ASN 16 CG 0.0156 0.0147 0.0023 288 ASN 16 OD1 0.0158 0.0154 0.0022 289 ASN 16 ND2 0.0160 0.0139 0.0039 290 ASN 16 HD21 0.0159 0.0135 0.0040 291 ASN 16 HD22 0.0165 0.0140 0.0050 292 ASN 16 C 0.0135 0.0116 -0.0000 293 ASN 16 O 0.0134 0.0117 -0.0003 294 ALA 17 N 0.0128 0.0102 -0.0005 295 ALA 17 HN 0.0130 0.0103 -0.0003 296 ALA 17 CA 0.0119 0.0087 -0.0013 297 ALA 17 HA 0.0117 0.0090 -0.0022 298 ALA 17 CB 0.0112 0.0082 -0.0027 299 ALA 17 HB1 0.0113 0.0076 -0.0019 300 ALA 17 HB2 0.0104 0.0071 -0.0035 301 ALA 17 HB3 0.0113 0.0095 -0.0035 302 ALA 17 C 0.0120 0.0071 -0.0000 303 ALA 17 O 0.0112 0.0055 -0.0004 304 GLY 18 N 0.0231 0.0046 -0.0036 305 GLY 18 HN 0.0245 0.0054 -0.0037 306 GLY 18 CA 0.0264 0.0016 -0.0036 307 GLY 18 HA1 0.0248 0.0030 -0.0036 308 GLY 18 HA2 0.0308 0.0020 -0.0039 309 GLY 18 C 0.0256 -0.0045 -0.0029 310 GLY 18 O 0.0267 -0.0074 -0.0028 311 HIS 19 N 0.0247 -0.0067 -0.0027 312 HIS 19 HN 0.0239 -0.0042 -0.0028 313 HIS 19 CA 0.0246 -0.0126 -0.0021 314 HIS 19 HA 0.0287 -0.0140 -0.0023 315 HIS 19 CB 0.0239 -0.0140 -0.0020 316 HIS 19 HB1 0.0198 -0.0132 -0.0017 317 HIS 19 HB2 0.0247 -0.0185 -0.0016 318 HIS 19 ND1 0.0339 -0.0130 -0.0028 319 HIS 19 CG 0.0284 -0.0118 -0.0025 320 HIS 19 CE1 0.0368 -0.0104 -0.0033 321 HIS 19 HE1 0.0412 -0.0112 -0.0035 322 HIS 19 NE2 0.0335 -0.0080 -0.0032 323 HIS 19 HE2 0.0348 -0.0063 -0.0035 324 HIS 19 CD2 0.0281 -0.0088 -0.0027 325 HIS 19 HD2 0.0242 -0.0078 -0.0025 326 HIS 19 C 0.0203 -0.0157 -0.0015 327 HIS 19 O 0.0163 -0.0133 -0.0015 328 SER 20 N 0.0393 -0.0232 -0.0238 329 SER 20 HN 0.0416 -0.0266 -0.0278 330 SER 20 CA 0.0378 -0.0253 -0.0242 331 SER 20 HA 0.0402 -0.0201 -0.0222 332 SER 20 CB 0.0418 -0.0316 -0.0316 333 SER 20 HB1 0.0396 -0.0335 -0.0313 334 SER 20 HB2 0.0483 -0.0292 -0.0344 335 SER 20 OG 0.0384 -0.0388 -0.0343 336 SER 20 HG1 0.0422 -0.0414 -0.0388 337 SER 20 C 0.0291 -0.0288 -0.0206 338 SER 20 O 0.0277 -0.0307 -0.0209 339 ASP 21 N 0.0233 -0.0298 -0.0172 340 ASP 21 HN 0.0248 -0.0285 -0.0174 341 ASP 21 CA 0.0148 -0.0321 -0.0128 342 ASP 21 HA 0.0145 -0.0347 -0.0145 343 ASP 21 CB 0.0093 -0.0385 -0.0135 344 ASP 21 HB1 0.0030 -0.0400 -0.0101 345 ASP 21 HB2 0.0108 -0.0441 -0.0185 346 ASP 21 CG 0.0102 -0.0358 -0.0122 347 ASP 21 OD1 0.0156 -0.0368 -0.0167 348 ASP 21 OD2 0.0053 -0.0330 -0.0068 349 ASP 21 C 0.0123 -0.0246 -0.0058 350 ASP 21 O 0.0055 -0.0260 -0.0019 351 VAL 22 N 0.0156 -0.0091 -0.0004 352 VAL 22 HN 0.0180 -0.0087 -0.0021 353 VAL 22 CA 0.0138 -0.0053 0.0013 354 VAL 22 HA 0.0120 -0.0059 0.0025 355 VAL 22 CB 0.0164 -0.0016 -0.0000 356 VAL 22 HB 0.0183 -0.0031 -0.0015 357 VAL 22 CG1 0.0185 0.0002 -0.0013 358 VAL 22 HG11 0.0206 0.0022 -0.0024 359 VAL 22 HG12 0.0197 -0.0023 -0.0024 360 VAL 22 HG13 0.0169 0.0019 0.0001 361 VAL 22 CG2 0.0146 0.0012 0.0016 362 VAL 22 HG21 0.0135 -0.0007 0.0021 363 VAL 22 HG22 0.0162 0.0038 0.0008 364 VAL 22 HG23 0.0123 0.0025 0.0034 365 VAL 22 C 0.0117 -0.0043 0.0029 366 VAL 22 O 0.0087 -0.0033 0.0051 367 ALA 23 N 0.0131 -0.0051 0.0018 368 ALA 23 HN 0.0154 -0.0060 0.0001 369 ALA 23 CA 0.0116 -0.0046 0.0029 370 ALA 23 HA 0.0107 -0.0016 0.0039 371 ALA 23 CB 0.0141 -0.0060 0.0010 372 ALA 23 HB1 0.0149 -0.0091 0.0000 373 ALA 23 HB2 0.0130 -0.0055 0.0018 374 ALA 23 HB3 0.0163 -0.0037 -0.0003 375 ALA 23 C 0.0083 -0.0072 0.0048 376 ALA 23 O 0.0061 -0.0059 0.0065 377 ASP 24 N 0.0107 -0.0136 0.0042 378 ASP 24 HN 0.0140 -0.0164 0.0002 379 ASP 24 CA 0.0109 -0.0168 0.0124 380 ASP 24 HA 0.0081 -0.0146 0.0163 381 ASP 24 CB 0.0163 -0.0241 0.0134 382 ASP 24 HB1 0.0190 -0.0259 0.0085 383 ASP 24 HB2 0.0166 -0.0266 0.0193 384 ASP 24 CG 0.0180 -0.0261 0.0130 385 ASP 24 OD1 0.0144 -0.0222 0.0149 386 ASP 24 OD2 0.0225 -0.0314 0.0115 387 ASP 24 C 0.0092 -0.0157 0.0155 388 ASP 24 O 0.0102 -0.0154 0.0109 389 ASN 25 N 0.0064 -0.0148 0.0231 390 ASN 25 HN 0.0058 -0.0153 0.0264 391 ASN 25 CA 0.0043 -0.0136 0.0270 392 ASN 25 HA 0.0024 -0.0133 0.0331 393 ASN 25 CB 0.0084 -0.0189 0.0274 394 ASN 25 HB1 0.0103 -0.0192 0.0210 395 ASN 25 HB2 0.0071 -0.0183 0.0302 396 ASN 25 CG 0.0125 -0.0257 0.0313 397 ASN 25 OD1 0.0163 -0.0293 0.0279 398 ASN 25 ND2 0.0117 -0.0275 0.0393 399 ASN 25 HD21 0.0084 -0.0244 0.0427 400 ASN 25 HD22 0.0140 -0.0315 0.0422 401 ASN 25 C -0.0004 -0.0065 0.0239 402 ASN 25 O -0.0004 -0.0053 0.0206 403 GLY 26 N 0.0067 -0.0031 0.0166 404 GLY 26 HN 0.0067 -0.0040 0.0190 405 GLY 26 CA 0.0032 -0.0010 0.0152 406 GLY 26 HA1 0.0019 -0.0010 0.0166 407 GLY 26 HA2 0.0017 -0.0007 0.0161 408 GLY 26 C 0.0034 0.0005 0.0110 409 GLY 26 O 0.0059 0.0001 0.0093 410 THR 27 N 0.0006 0.0024 0.0093 411 THR 27 HN -0.0019 0.0030 0.0107 412 THR 27 CA 0.0005 0.0041 0.0052 413 THR 27 HA 0.0030 0.0037 0.0035 414 THR 27 CB -0.0030 0.0059 0.0044 415 THR 27 HB -0.0037 0.0074 0.0014 416 THR 27 OG1 -0.0066 0.0066 0.0066 417 THR 27 HG1 -0.0068 0.0056 0.0093 418 THR 27 CG2 -0.0023 0.0054 0.0048 419 THR 27 HG21 -0.0043 0.0067 0.0038 420 THR 27 HG22 0.0008 0.0046 0.0037 421 THR 27 HG23 -0.0025 0.0043 0.0080 422 THR 27 C -0.0003 0.0048 0.0042 423 THR 27 O -0.0022 0.0047 0.0064 424 LEU 28 N 0.0004 0.0044 -0.0002 425 LEU 28 HN 0.0010 0.0045 -0.0001 426 LEU 28 CA 0.0006 0.0046 -0.0015 427 LEU 28 HA 0.0010 0.0047 -0.0012 428 LEU 28 CB 0.0015 0.0051 -0.0027 429 LEU 28 HB1 0.0009 0.0049 -0.0031 430 LEU 28 HB2 0.0017 0.0053 -0.0037 431 LEU 28 CG 0.0030 0.0054 -0.0021 432 LEU 28 HG 0.0028 0.0052 -0.0012 433 LEU 28 CD1 0.0039 0.0059 -0.0032 434 LEU 28 HD11 0.0034 0.0058 -0.0039 435 LEU 28 HD12 0.0042 0.0061 -0.0040 436 LEU 28 HD13 0.0050 0.0061 -0.0027 437 LEU 28 CD2 0.0038 0.0056 -0.0015 438 LEU 28 HD21 0.0039 0.0057 -0.0023 439 LEU 28 HD22 0.0033 0.0053 -0.0004 440 LEU 28 HD23 0.0049 0.0059 -0.0012 441 LEU 28 C -0.0009 0.0043 -0.0024 442 LEU 28 O -0.0012 0.0043 -0.0029 443 PHE 29 N -0.0017 0.0041 -0.0026 444 PHE 29 HN -0.0015 0.0041 -0.0021 445 PHE 29 CA -0.0030 0.0038 -0.0036 446 PHE 29 HA -0.0031 0.0039 -0.0043 447 PHE 29 CB -0.0028 0.0040 -0.0047 448 PHE 29 HB1 -0.0027 0.0040 -0.0039 449 PHE 29 HB2 -0.0038 0.0038 -0.0054 450 PHE 29 CG -0.0015 0.0046 -0.0056 451 PHE 29 CD1 -0.0011 0.0048 -0.0062 452 PHE 29 HD1 -0.0018 0.0046 -0.0063 453 PHE 29 CE1 0.0001 0.0053 -0.0072 454 PHE 29 HE1 0.0004 0.0054 -0.0078 455 PHE 29 CZ 0.0010 0.0056 -0.0075 456 PHE 29 HZ 0.0019 0.0059 -0.0081 457 PHE 29 CD2 -0.0006 0.0049 -0.0058 458 PHE 29 HD2 -0.0008 0.0047 -0.0053 459 PHE 29 CE2 0.0006 0.0053 -0.0068 460 PHE 29 HE2 0.0012 0.0055 -0.0069 461 PHE 29 C -0.0042 0.0033 -0.0026 462 PHE 29 O -0.0053 0.0030 -0.0028 463 LEU 30 N -0.0035 0.0046 -0.0031 464 LEU 30 HN -0.0029 0.0049 -0.0029 465 LEU 30 CA -0.0044 0.0041 -0.0025 466 LEU 30 HA -0.0048 0.0041 -0.0031 467 LEU 30 CB -0.0040 0.0041 -0.0016 468 LEU 30 HB1 -0.0032 0.0043 -0.0012 469 LEU 30 HB2 -0.0045 0.0037 -0.0008 470 LEU 30 CG -0.0040 0.0042 -0.0019 471 LEU 30 HG -0.0048 0.0038 -0.0017 472 LEU 30 CD1 -0.0036 0.0046 -0.0030 473 LEU 30 HD11 -0.0037 0.0046 -0.0032 474 LEU 30 HD12 -0.0040 0.0046 -0.0037 475 LEU 30 HD13 -0.0028 0.0049 -0.0031 476 LEU 30 CD2 -0.0033 0.0042 -0.0009 477 LEU 30 HD21 -0.0032 0.0042 -0.0009 478 LEU 30 HD22 -0.0025 0.0046 -0.0011 479 LEU 30 HD23 -0.0033 0.0040 -0.0001 480 LEU 30 C -0.0051 0.0037 -0.0021 481 LEU 30 O -0.0061 0.0033 -0.0020 482 GLY 31 N -0.0047 0.0038 -0.0016 483 GLY 31 HN -0.0039 0.0041 -0.0016 484 GLY 31 CA -0.0054 0.0034 -0.0012 485 GLY 31 HA1 -0.0060 0.0031 -0.0007 486 GLY 31 HA2 -0.0050 0.0035 -0.0009 487 GLY 31 C -0.0062 0.0033 -0.0022 488 GLY 31 O -0.0071 0.0029 -0.0020 489 ILE 32 N -0.0061 0.0039 -0.0049 490 ILE 32 HN -0.0059 0.0041 -0.0049 491 ILE 32 CA -0.0062 0.0039 -0.0053 492 ILE 32 HA -0.0063 0.0039 -0.0053 493 ILE 32 CB -0.0059 0.0040 -0.0055 494 ILE 32 HB -0.0058 0.0041 -0.0055 495 ILE 32 CG2 -0.0060 0.0040 -0.0060 496 ILE 32 HG21 -0.0058 0.0041 -0.0061 497 ILE 32 HG22 -0.0061 0.0039 -0.0060 498 ILE 32 HG23 -0.0062 0.0039 -0.0060 499 ILE 32 CG1 -0.0057 0.0042 -0.0055 500 ILE 32 HG11 -0.0058 0.0041 -0.0056 501 ILE 32 HG12 -0.0057 0.0042 -0.0052 502 ILE 32 CD -0.0054 0.0043 -0.0056 503 ILE 32 HD1 -0.0054 0.0043 -0.0059 504 ILE 32 HD2 -0.0052 0.0045 -0.0055 505 ILE 32 HD3 -0.0053 0.0044 -0.0056 506 ILE 32 C -0.0065 0.0037 -0.0054 507 ILE 32 O -0.0067 0.0036 -0.0055 508 LEU 33 N -0.0065 0.0037 -0.0053 509 LEU 33 HN -0.0063 0.0038 -0.0052 510 LEU 33 CA -0.0067 0.0036 -0.0054 511 LEU 33 HA -0.0068 0.0035 -0.0057 512 LEU 33 CB -0.0066 0.0036 -0.0053 513 LEU 33 HB1 -0.0065 0.0037 -0.0051 514 LEU 33 HB2 -0.0068 0.0035 -0.0054 515 LEU 33 CG -0.0064 0.0038 -0.0056 516 LEU 33 HG -0.0061 0.0039 -0.0056 517 LEU 33 CD1 -0.0063 0.0038 -0.0056 518 LEU 33 HD11 -0.0063 0.0038 -0.0053 519 LEU 33 HD12 -0.0065 0.0037 -0.0056 520 LEU 33 HD13 -0.0061 0.0039 -0.0057 521 LEU 33 CD2 -0.0064 0.0037 -0.0060 522 LEU 33 HD21 -0.0067 0.0036 -0.0060 523 LEU 33 HD22 -0.0064 0.0037 -0.0061 524 LEU 33 HD23 -0.0063 0.0038 -0.0062 525 LEU 33 C -0.0070 0.0034 -0.0052 526 LEU 33 O -0.0072 0.0033 -0.0053 527 LYS 34 N -0.0059 0.0054 -0.0050 528 LYS 34 HN -0.0058 0.0056 -0.0050 529 LYS 34 CA -0.0060 0.0049 -0.0049 530 LYS 34 HA -0.0061 0.0047 -0.0048 531 LYS 34 CB -0.0060 0.0050 -0.0046 532 LYS 34 HB1 -0.0058 0.0051 -0.0043 533 LYS 34 HB2 -0.0059 0.0052 -0.0047 534 LYS 34 CG -0.0061 0.0045 -0.0044 535 LYS 34 HG1 -0.0062 0.0043 -0.0047 536 LYS 34 HG2 -0.0061 0.0043 -0.0042 537 LYS 34 CD -0.0060 0.0045 -0.0040 538 LYS 34 HD1 -0.0059 0.0047 -0.0041 539 LYS 34 HD2 -0.0061 0.0041 -0.0039 540 LYS 34 CE -0.0058 0.0046 -0.0035 541 LYS 34 HE1 -0.0058 0.0045 -0.0032 542 LYS 34 HE2 -0.0059 0.0044 -0.0035 543 LYS 34 NZ -0.0057 0.0051 -0.0035 544 LYS 34 HZ1 -0.0057 0.0052 -0.0036 545 LYS 34 HZ2 -0.0056 0.0053 -0.0035 546 LYS 34 HZ3 -0.0056 0.0051 -0.0031 547 LYS 34 C -0.0062 0.0048 -0.0054 548 LYS 34 O -0.0063 0.0044 -0.0054 549 ASN 35 N -0.0062 0.0050 -0.0057 550 ASN 35 HN -0.0061 0.0054 -0.0057 551 ASN 35 CA -0.0063 0.0049 -0.0062 552 ASN 35 HA -0.0064 0.0046 -0.0061 553 ASN 35 CB -0.0063 0.0053 -0.0065 554 ASN 35 HB1 -0.0062 0.0056 -0.0065 555 ASN 35 HB2 -0.0064 0.0052 -0.0068 556 ASN 35 CG -0.0061 0.0055 -0.0062 557 ASN 35 OD1 -0.0061 0.0053 -0.0059 558 ASN 35 ND2 -0.0060 0.0059 -0.0064 559 ASN 35 HD21 -0.0060 0.0061 -0.0066 560 ASN 35 HD22 -0.0059 0.0060 -0.0062 561 ASN 35 C -0.0065 0.0047 -0.0065 562 ASN 35 O -0.0066 0.0044 -0.0067 563 TRP 36 N -0.0061 0.0060 -0.0073 564 TRP 36 HN -0.0065 0.0058 -0.0074 565 TRP 36 CA -0.0058 0.0058 -0.0069 566 TRP 36 HA -0.0054 0.0061 -0.0068 567 TRP 36 CB -0.0059 0.0054 -0.0064 568 TRP 36 HB1 -0.0064 0.0052 -0.0065 569 TRP 36 HB2 -0.0056 0.0053 -0.0060 570 TRP 36 CG -0.0060 0.0054 -0.0064 571 TRP 36 CD1 -0.0064 0.0053 -0.0067 572 TRP 36 HD1 -0.0068 0.0051 -0.0068 573 TRP 36 NE1 -0.0062 0.0054 -0.0067 574 TRP 36 HE1 -0.0065 0.0053 -0.0068 575 TRP 36 CE2 -0.0057 0.0056 -0.0065 576 TRP 36 CD2 -0.0055 0.0056 -0.0063 577 TRP 36 CE3 -0.0049 0.0058 -0.0061 578 TRP 36 HE3 -0.0048 0.0059 -0.0061 579 TRP 36 CZ3 -0.0046 0.0061 -0.0061 580 TRP 36 HZ3 -0.0041 0.0062 -0.0060 581 TRP 36 CZ2 -0.0053 0.0058 -0.0065 582 TRP 36 HZ2 -0.0054 0.0059 -0.0066 583 TRP 36 CH2 -0.0047 0.0061 -0.0063 584 TRP 36 HH2 -0.0045 0.0063 -0.0063 585 TRP 36 C -0.0057 0.0059 -0.0069 586 TRP 36 O -0.0061 0.0057 -0.0069 587 LYS 37 N -0.0052 0.0061 -0.0068 588 LYS 37 HN -0.0049 0.0063 -0.0067 589 LYS 37 CA -0.0051 0.0063 -0.0068 590 LYS 37 HA -0.0055 0.0061 -0.0069 591 LYS 37 CB -0.0050 0.0067 -0.0073 592 LYS 37 HB1 -0.0046 0.0069 -0.0073 593 LYS 37 HB2 -0.0048 0.0068 -0.0073 594 LYS 37 CG -0.0054 0.0069 -0.0078 595 LYS 37 HG1 -0.0055 0.0068 -0.0078 596 LYS 37 HG2 -0.0051 0.0073 -0.0081 597 LYS 37 CD -0.0058 0.0067 -0.0080 598 LYS 37 HD1 -0.0056 0.0069 -0.0080 599 LYS 37 HD2 -0.0060 0.0064 -0.0077 600 LYS 37 CE -0.0063 0.0069 -0.0085 601 LYS 37 HE1 -0.0066 0.0066 -0.0084 602 LYS 37 HE2 -0.0061 0.0072 -0.0088 603 LYS 37 NZ -0.0066 0.0068 -0.0086 604 LYS 37 HZ1 -0.0068 0.0064 -0.0084 605 LYS 37 HZ2 -0.0069 0.0068 -0.0090 606 LYS 37 HZ3 -0.0063 0.0069 -0.0086 607 LYS 37 C -0.0047 0.0062 -0.0064 608 LYS 37 O -0.0048 0.0061 -0.0063 609 GLU 38 N -0.0042 0.0070 -0.0062 610 GLU 38 HN -0.0040 0.0072 -0.0062 611 GLU 38 CA -0.0036 0.0065 -0.0054 612 GLU 38 HA -0.0034 0.0068 -0.0054 613 GLU 38 CB -0.0026 0.0068 -0.0049 614 GLU 38 HB1 -0.0022 0.0075 -0.0053 615 GLU 38 HB2 -0.0027 0.0064 -0.0046 616 GLU 38 CG -0.0018 0.0065 -0.0041 617 GLU 38 HG1 -0.0020 0.0065 -0.0043 618 GLU 38 HG2 -0.0011 0.0070 -0.0041 619 GLU 38 CD -0.0018 0.0056 -0.0033 620 GLU 38 OE1 -0.0018 0.0054 -0.0031 621 GLU 38 OE2 -0.0019 0.0050 -0.0029 622 GLU 38 C -0.0043 0.0055 -0.0049 623 GLU 38 O -0.0050 0.0051 -0.0050 624 GLU 39 N -0.0042 0.0051 -0.0044 625 GLU 39 HN -0.0036 0.0053 -0.0043 626 GLU 39 CA -0.0048 0.0042 -0.0042 627 GLU 39 HA -0.0056 0.0042 -0.0046 628 GLU 39 CB -0.0046 0.0041 -0.0038 629 GLU 39 HB1 -0.0046 0.0046 -0.0043 630 GLU 39 HB2 -0.0039 0.0040 -0.0033 631 GLU 39 CG -0.0054 0.0031 -0.0035 632 GLU 39 HG1 -0.0050 0.0030 -0.0032 633 GLU 39 HG2 -0.0054 0.0026 -0.0031 634 GLU 39 CD -0.0064 0.0030 -0.0041 635 GLU 39 OE1 -0.0068 0.0036 -0.0049 636 GLU 39 OE2 -0.0070 0.0022 -0.0038 637 GLU 39 C -0.0048 0.0035 -0.0035 638 GLU 39 O -0.0056 0.0029 -0.0035 639 SER 40 N -0.0037 0.0029 -0.0030 640 SER 40 HN -0.0030 0.0033 -0.0030 641 SER 40 CA -0.0036 0.0023 -0.0025 642 SER 40 HA -0.0040 0.0016 -0.0021 643 SER 40 CB -0.0023 0.0025 -0.0021 644 SER 40 HB1 -0.0019 0.0032 -0.0025 645 SER 40 HB2 -0.0021 0.0019 -0.0016 646 SER 40 OG -0.0017 0.0024 -0.0017 647 SER 40 HG1 -0.0016 0.0030 -0.0022 648 SER 40 C -0.0041 0.0026 -0.0029 649 SER 40 O -0.0047 0.0019 -0.0027 650 ASP 41 N -0.0039 0.0035 -0.0036 651 ASP 41 HN -0.0034 0.0040 -0.0038 652 ASP 41 CA -0.0046 0.0038 -0.0041 653 ASP 41 HA -0.0044 0.0035 -0.0038 654 ASP 41 CB -0.0042 0.0049 -0.0048 655 ASP 41 HB1 -0.0042 0.0051 -0.0050 656 ASP 41 HB2 -0.0047 0.0053 -0.0053 657 ASP 41 CG -0.0030 0.0052 -0.0045 658 ASP 41 OD1 -0.0026 0.0046 -0.0039 659 ASP 41 OD2 -0.0026 0.0061 -0.0051 660 ASP 41 C -0.0058 0.0035 -0.0044 661 ASP 41 O -0.0064 0.0031 -0.0044 662 ARG 42 N -0.0051 0.0025 -0.0047 663 ARG 42 HN -0.0046 0.0028 -0.0048 664 ARG 42 CA -0.0061 0.0022 -0.0048 665 ARG 42 HA -0.0065 0.0024 -0.0052 666 ARG 42 CB -0.0061 0.0024 -0.0050 667 ARG 42 HB1 -0.0055 0.0022 -0.0046 668 ARG 42 HB2 -0.0067 0.0021 -0.0049 669 ARG 42 CG -0.0059 0.0031 -0.0057 670 ARG 42 HG1 -0.0065 0.0033 -0.0062 671 ARG 42 HG2 -0.0052 0.0034 -0.0057 672 ARG 42 CD -0.0059 0.0033 -0.0059 673 ARG 42 HD1 -0.0056 0.0038 -0.0063 674 ARG 42 HD2 -0.0054 0.0030 -0.0054 675 ARG 42 NE -0.0068 0.0030 -0.0060 676 ARG 42 HE -0.0071 0.0026 -0.0056 677 ARG 42 CZ -0.0073 0.0035 -0.0067 678 ARG 42 NH1 -0.0070 0.0041 -0.0072 679 ARG 42 HH11 -0.0064 0.0042 -0.0071 680 ARG 42 HH12 -0.0074 0.0044 -0.0077 681 ARG 42 NH2 -0.0082 0.0033 -0.0069 682 ARG 42 HH21 -0.0085 0.0029 -0.0065 683 ARG 42 HH22 -0.0086 0.0036 -0.0074 684 ARG 42 C -0.0065 0.0015 -0.0042 685 ARG 42 O -0.0072 0.0012 -0.0042 686 LYS 43 N -0.0059 0.0011 -0.0036 687 LYS 43 HN -0.0053 0.0013 -0.0036 688 LYS 43 CA -0.0061 0.0003 -0.0029 689 LYS 43 HA -0.0068 0.0002 -0.0030 690 LYS 43 CB -0.0055 0.0000 -0.0023 691 LYS 43 HB1 -0.0048 0.0003 -0.0022 692 LYS 43 HB2 -0.0057 -0.0005 -0.0018 693 LYS 43 CG -0.0057 0.0001 -0.0024 694 LYS 43 HG1 -0.0058 0.0006 -0.0030 695 LYS 43 HG2 -0.0050 0.0000 -0.0021 696 LYS 43 CD -0.0066 -0.0005 -0.0022 697 LYS 43 HD1 -0.0064 -0.0010 -0.0017 698 LYS 43 HD2 -0.0072 -0.0004 -0.0025 699 LYS 43 CE -0.0067 -0.0006 -0.0022 700 LYS 43 HE1 -0.0061 -0.0007 -0.0018 701 LYS 43 HE2 -0.0074 -0.0010 -0.0020 702 LYS 43 NZ -0.0070 0.0001 -0.0029 703 LYS 43 HZ1 -0.0064 0.0004 -0.0031 704 LYS 43 HZ2 -0.0074 -0.0001 -0.0030 705 LYS 43 HZ3 -0.0073 0.0003 -0.0033 706 LYS 43 C -0.0061 0.0001 -0.0026 707 LYS 43 O -0.0064 -0.0005 -0.0021 708 ILE 44 N -0.0054 0.0023 -0.0035 709 ILE 44 HN -0.0053 0.0027 -0.0038 710 ILE 44 CA -0.0055 0.0021 -0.0033 711 ILE 44 HA -0.0054 0.0017 -0.0029 712 ILE 44 CB -0.0050 0.0024 -0.0033 713 ILE 44 HB -0.0050 0.0029 -0.0037 714 ILE 44 CG2 -0.0051 0.0022 -0.0032 715 ILE 44 HG21 -0.0056 0.0023 -0.0036 716 ILE 44 HG22 -0.0052 0.0017 -0.0028 717 ILE 44 HG23 -0.0047 0.0024 -0.0031 718 ILE 44 CG1 -0.0043 0.0024 -0.0028 719 ILE 44 HG11 -0.0043 0.0020 -0.0024 720 ILE 44 HG12 -0.0042 0.0025 -0.0028 721 ILE 44 CD -0.0037 0.0029 -0.0029 722 ILE 44 HD1 -0.0032 0.0029 -0.0026 723 ILE 44 HD2 -0.0038 0.0033 -0.0033 724 ILE 44 HD3 -0.0037 0.0027 -0.0027 725 ILE 44 C -0.0062 0.0020 -0.0037 726 ILE 44 O -0.0066 0.0015 -0.0035 727 MET 45 N -0.0064 0.0024 -0.0043 728 MET 45 HN -0.0060 0.0028 -0.0044 729 MET 45 CA -0.0070 0.0025 -0.0047 730 MET 45 HA -0.0070 0.0024 -0.0047 731 MET 45 CB -0.0070 0.0031 -0.0053 732 MET 45 HB1 -0.0069 0.0032 -0.0053 733 MET 45 HB2 -0.0075 0.0031 -0.0056 734 MET 45 CG -0.0065 0.0036 -0.0054 735 MET 45 HG1 -0.0060 0.0035 -0.0050 736 MET 45 HG2 -0.0064 0.0040 -0.0058 737 MET 45 SD -0.0066 0.0036 -0.0055 738 MET 45 CE -0.0057 0.0039 -0.0052 739 MET 45 HE1 -0.0055 0.0036 -0.0047 740 MET 45 HE2 -0.0054 0.0043 -0.0054 741 MET 45 HE3 -0.0057 0.0039 -0.0052 742 MET 45 C -0.0076 0.0020 -0.0047 743 MET 45 O -0.0081 0.0017 -0.0047 744 GLN 46 N -0.0062 0.0009 -0.0047 745 GLN 46 HN -0.0059 0.0011 -0.0047 746 GLN 46 CA -0.0065 0.0007 -0.0048 747 GLN 46 HA -0.0067 0.0008 -0.0051 748 GLN 46 CB -0.0063 0.0008 -0.0047 749 GLN 46 HB1 -0.0060 0.0008 -0.0044 750 GLN 46 HB2 -0.0065 0.0006 -0.0046 751 GLN 46 CG -0.0062 0.0011 -0.0050 752 GLN 46 HG1 -0.0065 0.0011 -0.0053 753 GLN 46 HG2 -0.0061 0.0013 -0.0052 754 GLN 46 CD -0.0060 0.0012 -0.0050 755 GLN 46 OE1 -0.0059 0.0010 -0.0046 756 GLN 46 NE2 -0.0059 0.0015 -0.0052 757 GLN 46 HE21 -0.0060 0.0017 -0.0055 758 GLN 46 HE22 -0.0057 0.0016 -0.0052 759 GLN 46 C -0.0068 0.0003 -0.0044 760 GLN 46 O -0.0071 0.0001 -0.0045 761 SER 47 N -0.0065 0.0002 -0.0041 762 SER 47 HN -0.0062 0.0003 -0.0040 763 SER 47 CA -0.0067 -0.0002 -0.0038 764 SER 47 HA -0.0068 -0.0003 -0.0037 765 SER 47 CB -0.0063 -0.0003 -0.0034 766 SER 47 HB1 -0.0061 -0.0001 -0.0033 767 SER 47 HB2 -0.0062 -0.0002 -0.0035 768 SER 47 OG -0.0064 -0.0006 -0.0030 769 SER 47 HG1 -0.0062 -0.0006 -0.0028 770 SER 47 C -0.0071 -0.0004 -0.0038 771 SER 47 O -0.0074 -0.0006 -0.0037 772 GLN 48 N -0.0049 0.0027 -0.0046 773 GLN 48 HN -0.0050 0.0029 -0.0044 774 GLN 48 CA -0.0047 0.0020 -0.0046 775 GLN 48 HA -0.0047 0.0019 -0.0046 776 GLN 48 CB -0.0049 0.0017 -0.0041 777 GLN 48 HB1 -0.0049 0.0019 -0.0042 778 GLN 48 HB2 -0.0048 0.0012 -0.0040 779 GLN 48 CG -0.0053 0.0020 -0.0035 780 GLN 48 HG1 -0.0054 0.0026 -0.0036 781 GLN 48 HG2 -0.0054 0.0018 -0.0032 782 GLN 48 CD -0.0054 0.0019 -0.0034 783 GLN 48 OE1 -0.0052 0.0014 -0.0034 784 GLN 48 NE2 -0.0056 0.0023 -0.0032 785 GLN 48 HE21 -0.0057 0.0028 -0.0031 786 GLN 48 HE22 -0.0056 0.0021 -0.0030 787 GLN 48 C -0.0043 0.0017 -0.0051 788 GLN 48 O -0.0042 0.0012 -0.0052 789 ILE 49 N -0.0042 0.0020 -0.0054 790 ILE 49 HN -0.0044 0.0025 -0.0053 791 ILE 49 CA -0.0039 0.0018 -0.0060 792 ILE 49 HA -0.0038 0.0013 -0.0059 793 ILE 49 CB -0.0039 0.0021 -0.0061 794 ILE 49 HB -0.0040 0.0027 -0.0061 795 ILE 49 CG2 -0.0035 0.0019 -0.0067 796 ILE 49 HG21 -0.0035 0.0020 -0.0067 797 ILE 49 HG22 -0.0034 0.0023 -0.0070 798 ILE 49 HG23 -0.0034 0.0015 -0.0067 799 ILE 49 CG1 -0.0041 0.0019 -0.0056 800 ILE 49 HG11 -0.0040 0.0014 -0.0056 801 ILE 49 HG12 -0.0044 0.0020 -0.0052 802 ILE 49 CD -0.0042 0.0023 -0.0056 803 ILE 49 HD1 -0.0040 0.0024 -0.0060 804 ILE 49 HD2 -0.0044 0.0021 -0.0052 805 ILE 49 HD3 -0.0044 0.0028 -0.0056 806 ILE 49 C -0.0037 0.0020 -0.0064 807 ILE 49 O -0.0034 0.0016 -0.0067 808 VAL 50 N -0.0038 -0.0006 -0.0042 809 VAL 50 HN -0.0041 -0.0007 -0.0042 810 VAL 50 CA -0.0038 -0.0007 -0.0047 811 VAL 50 HA -0.0038 -0.0007 -0.0045 812 VAL 50 CB -0.0043 -0.0009 -0.0050 813 VAL 50 HB -0.0043 -0.0009 -0.0052 814 VAL 50 CG1 -0.0041 -0.0010 -0.0055 815 VAL 50 HG11 -0.0045 -0.0011 -0.0058 816 VAL 50 HG12 -0.0038 -0.0010 -0.0058 817 VAL 50 HG13 -0.0041 -0.0009 -0.0054 818 VAL 50 CG2 -0.0048 -0.0009 -0.0047 819 VAL 50 HG21 -0.0049 -0.0008 -0.0044 820 VAL 50 HG22 -0.0051 -0.0010 -0.0050 821 VAL 50 HG23 -0.0048 -0.0009 -0.0045 822 VAL 50 C -0.0032 -0.0007 -0.0049 823 VAL 50 O -0.0030 -0.0007 -0.0051 824 SER 51 N -0.0030 -0.0007 -0.0050 825 SER 51 HN -0.0032 -0.0007 -0.0049 826 SER 51 CA -0.0024 -0.0006 -0.0052 827 SER 51 HA -0.0024 -0.0007 -0.0056 828 SER 51 CB -0.0022 -0.0006 -0.0053 829 SER 51 HB1 -0.0018 -0.0006 -0.0054 830 SER 51 HB2 -0.0025 -0.0008 -0.0057 831 SER 51 OG -0.0023 -0.0006 -0.0049 832 SER 51 HG1 -0.0020 -0.0005 -0.0049 833 SER 51 C -0.0020 -0.0005 -0.0048 834 SER 51 O -0.0016 -0.0005 -0.0050 835 PHE 52 N 0.0056 0.0021 -0.0076 836 PHE 52 HN 0.0056 0.0020 -0.0076 837 PHE 52 CA 0.0056 0.0029 -0.0072 838 PHE 52 HA 0.0061 0.0032 -0.0074 839 PHE 52 CB 0.0055 0.0034 -0.0069 840 PHE 52 HB1 0.0060 0.0035 -0.0072 841 PHE 52 HB2 0.0051 0.0032 -0.0066 842 PHE 52 CG 0.0055 0.0043 -0.0065 843 PHE 52 CD1 0.0061 0.0049 -0.0067 844 PHE 52 HD1 0.0066 0.0048 -0.0070 845 PHE 52 CE1 0.0061 0.0057 -0.0063 846 PHE 52 HE1 0.0066 0.0061 -0.0065 847 PHE 52 CZ 0.0056 0.0058 -0.0058 848 PHE 52 HZ 0.0056 0.0064 -0.0055 849 PHE 52 CD2 0.0050 0.0044 -0.0060 850 PHE 52 HD2 0.0045 0.0040 -0.0058 851 PHE 52 CE2 0.0050 0.0052 -0.0056 852 PHE 52 HE2 0.0045 0.0052 -0.0052 853 PHE 52 C 0.0050 0.0028 -0.0067 854 PHE 52 O 0.0050 0.0032 -0.0066 855 TYR 53 N 0.0043 0.0024 -0.0064 856 TYR 53 HN 0.0043 0.0022 -0.0065 857 TYR 53 CA 0.0037 0.0023 -0.0060 858 TYR 53 HA 0.0037 0.0028 -0.0057 859 TYR 53 CB 0.0030 0.0018 -0.0057 860 TYR 53 HB1 0.0030 0.0012 -0.0059 861 TYR 53 HB2 0.0026 0.0017 -0.0054 862 TYR 53 CG 0.0027 0.0023 -0.0052 863 TYR 53 CD1 0.0024 0.0029 -0.0047 864 TYR 53 HD1 0.0022 0.0029 -0.0046 865 TYR 53 CE1 0.0022 0.0034 -0.0043 866 TYR 53 HE1 0.0020 0.0039 -0.0039 867 TYR 53 CZ 0.0023 0.0033 -0.0044 868 TYR 53 OH 0.0020 0.0038 -0.0040 869 TYR 53 HH 0.0019 0.0042 -0.0037 870 TYR 53 CD2 0.0028 0.0022 -0.0053 871 TYR 53 HD2 0.0030 0.0018 -0.0057 872 TYR 53 CE2 0.0026 0.0027 -0.0049 873 TYR 53 HE2 0.0026 0.0026 -0.0050 874 TYR 53 C 0.0037 0.0018 -0.0063 875 TYR 53 O 0.0036 0.0020 -0.0060 876 PHE 54 N 0.0019 -0.0013 -0.0017 877 PHE 54 HN 0.0018 -0.0013 -0.0017 878 PHE 54 CA 0.0024 -0.0023 -0.0035 879 PHE 54 HA 0.0014 -0.0028 -0.0039 880 PHE 54 CB 0.0022 -0.0033 -0.0050 881 PHE 54 HB1 0.0025 -0.0029 -0.0045 882 PHE 54 HB2 0.0034 -0.0037 -0.0061 883 PHE 54 CG 0.0001 -0.0042 -0.0056 884 PHE 54 CD1 -0.0018 -0.0041 -0.0048 885 PHE 54 HD1 -0.0016 -0.0033 -0.0036 886 PHE 54 CE1 -0.0036 -0.0050 -0.0055 887 PHE 54 HE1 -0.0050 -0.0049 -0.0049 888 PHE 54 CZ -0.0037 -0.0059 -0.0070 889 PHE 54 HZ -0.0051 -0.0066 -0.0076 890 PHE 54 CD2 -0.0000 -0.0051 -0.0071 891 PHE 54 HD2 0.0014 -0.0052 -0.0078 892 PHE 54 CE2 -0.0019 -0.0059 -0.0078 893 PHE 54 HE2 -0.0019 -0.0067 -0.0089 894 PHE 54 C 0.0046 -0.0019 -0.0037 895 PHE 54 O 0.0052 -0.0022 -0.0045 896 LYS 55 N 0.0061 -0.0011 -0.0029 897 LYS 55 HN 0.0058 -0.0008 -0.0025 898 LYS 55 CA 0.0081 -0.0005 -0.0028 899 LYS 55 HA 0.0089 -0.0011 -0.0042 900 LYS 55 CB 0.0094 0.0001 -0.0023 901 LYS 55 HB1 0.0091 -0.0005 -0.0032 902 LYS 55 HB2 0.0088 0.0009 -0.0009 903 LYS 55 CG 0.0118 0.0006 -0.0026 904 LYS 55 HG1 0.0122 0.0012 -0.0017 905 LYS 55 HG2 0.0124 -0.0002 -0.0040 906 LYS 55 CD 0.0130 0.0012 -0.0020 907 LYS 55 HD1 0.0126 0.0006 -0.0028 908 LYS 55 HD2 0.0127 0.0020 -0.0006 909 LYS 55 CE 0.0153 0.0016 -0.0023 910 LYS 55 HE1 0.0162 0.0021 -0.0018 911 LYS 55 HE2 0.0158 0.0020 -0.0018 912 LYS 55 NZ 0.0159 0.0005 -0.0043 913 LYS 55 HZ1 0.0150 -0.0001 -0.0049 914 LYS 55 HZ2 0.0156 0.0001 -0.0048 915 LYS 55 HZ3 0.0174 0.0007 -0.0046 916 LYS 55 C 0.0084 0.0003 -0.0016 917 LYS 55 O 0.0095 0.0003 -0.0021 918 LEU 56 N 0.0110 0.0013 -0.0053 919 LEU 56 HN 0.0115 0.0015 -0.0055 920 LEU 56 CA 0.0094 0.0025 -0.0048 921 LEU 56 HA 0.0097 0.0034 -0.0050 922 LEU 56 CB 0.0091 0.0038 -0.0048 923 LEU 56 HB1 0.0101 0.0048 -0.0052 924 LEU 56 HB2 0.0090 0.0030 -0.0047 925 LEU 56 CG 0.0074 0.0049 -0.0042 926 LEU 56 HG 0.0064 0.0040 -0.0038 927 LEU 56 CD1 0.0075 0.0067 -0.0044 928 LEU 56 HD11 0.0077 0.0062 -0.0044 929 LEU 56 HD12 0.0086 0.0074 -0.0049 930 LEU 56 HD13 0.0063 0.0075 -0.0040 931 LEU 56 CD2 0.0068 0.0056 -0.0041 932 LEU 56 HD21 0.0056 0.0065 -0.0037 933 LEU 56 HD22 0.0077 0.0067 -0.0045 934 LEU 56 HD23 0.0065 0.0044 -0.0039 935 LEU 56 C 0.0079 0.0013 -0.0041 936 LEU 56 O 0.0068 0.0017 -0.0038 937 PHE 57 N 0.0075 -0.0001 -0.0039 938 PHE 57 HN 0.0083 -0.0004 -0.0041 939 PHE 57 CA 0.0062 -0.0014 -0.0033 940 PHE 57 HA 0.0049 -0.0009 -0.0029 941 PHE 57 CB 0.0059 -0.0028 -0.0031 942 PHE 57 HB1 0.0072 -0.0033 -0.0035 943 PHE 57 HB2 0.0050 -0.0038 -0.0027 944 PHE 57 CG 0.0053 -0.0017 -0.0029 945 PHE 57 CD1 0.0043 -0.0001 -0.0027 946 PHE 57 HD1 0.0040 0.0005 -0.0026 947 PHE 57 CE1 0.0039 0.0008 -0.0026 948 PHE 57 HE1 0.0032 0.0021 -0.0025 949 PHE 57 CZ 0.0046 0.0000 -0.0028 950 PHE 57 HZ 0.0043 0.0007 -0.0028 951 PHE 57 CD2 0.0058 -0.0025 -0.0031 952 PHE 57 HD2 0.0063 -0.0039 -0.0032 953 PHE 57 CE2 0.0055 -0.0016 -0.0030 954 PHE 57 HE2 0.0058 -0.0024 -0.0031 955 PHE 57 C 0.0066 -0.0024 -0.0034 956 PHE 57 O 0.0055 -0.0027 -0.0029 957 LYS 58 N 0.0079 -0.0043 -0.0033 958 LYS 58 HN 0.0089 -0.0039 -0.0034 959 LYS 58 CA 0.0087 -0.0056 -0.0034 960 LYS 58 HA 0.0079 -0.0070 -0.0034 961 LYS 58 CB 0.0108 -0.0062 -0.0037 962 LYS 58 HB1 0.0107 -0.0071 -0.0037 963 LYS 58 HB2 0.0117 -0.0048 -0.0037 964 LYS 58 CG 0.0119 -0.0075 -0.0038 965 LYS 58 HG1 0.0124 -0.0066 -0.0038 966 LYS 58 HG2 0.0108 -0.0087 -0.0037 967 LYS 58 CD 0.0138 -0.0084 -0.0040 968 LYS 58 HD1 0.0134 -0.0090 -0.0040 969 LYS 58 HD2 0.0151 -0.0074 -0.0041 970 LYS 58 CE 0.0144 -0.0103 -0.0041 971 LYS 58 HE1 0.0147 -0.0098 -0.0041 972 LYS 58 HE2 0.0132 -0.0115 -0.0040 973 LYS 58 NZ 0.0161 -0.0112 -0.0043 974 LYS 58 HZ1 0.0161 -0.0128 -0.0044 975 LYS 58 HZ2 0.0161 -0.0107 -0.0043 976 LYS 58 HZ3 0.0175 -0.0107 -0.0045 977 LYS 58 C 0.0086 -0.0046 -0.0034 978 LYS 58 O 0.0085 -0.0056 -0.0034 979 ASN 59 N 0.0088 -0.0026 -0.0034 980 ASN 59 HN 0.0090 -0.0018 -0.0034 981 ASN 59 CA 0.0087 -0.0015 -0.0033 982 ASN 59 HA 0.0094 -0.0025 -0.0034 983 ASN 59 CB 0.0099 0.0006 -0.0034 984 ASN 59 HB1 0.0095 0.0014 -0.0034 985 ASN 59 HB2 0.0095 0.0014 -0.0034 986 ASN 59 CG 0.0122 0.0001 -0.0037 987 ASN 59 OD1 0.0131 -0.0014 -0.0038 988 ASN 59 ND2 0.0133 0.0017 -0.0038 989 ASN 59 HD21 0.0127 0.0031 -0.0037 990 ASN 59 HD22 0.0147 0.0015 -0.0039 991 ASN 59 C 0.0067 -0.0012 -0.0031 992 ASN 59 O 0.0062 -0.0009 -0.0031 993 PHE 60 N 0.0069 -0.0020 -0.0026 994 PHE 60 HN 0.0078 -0.0032 -0.0029 995 PHE 60 CA 0.0036 -0.0012 -0.0011 996 PHE 60 HA 0.0029 -0.0000 -0.0009 997 PHE 60 CB 0.0024 0.0007 -0.0008 998 PHE 60 HB1 0.0035 -0.0004 -0.0012 999 PHE 60 HB2 -0.0001 0.0004 0.0005 1000 PHE 60 CG 0.0031 0.0043 -0.0017 1001 PHE 60 CD1 0.0060 0.0054 -0.0034 1002 PHE 60 HD1 0.0078 0.0037 -0.0041 1003 PHE 60 CE1 0.0065 0.0088 -0.0043 1004 PHE 60 HE1 0.0087 0.0097 -0.0055 1005 PHE 60 CZ 0.0042 0.0112 -0.0035 1006 PHE 60 HZ 0.0049 0.0136 -0.0043 1007 PHE 60 CD2 0.0008 0.0066 -0.0010 1008 PHE 60 HD2 -0.0014 0.0058 0.0003 1009 PHE 60 CE2 0.0015 0.0101 -0.0019 1010 PHE 60 HE2 -0.0003 0.0119 -0.0014 1011 PHE 60 C 0.0021 -0.0045 0.0003 1012 PHE 60 O -0.0005 -0.0048 0.0016 1013 LYS 61 N 0.0036 -0.0073 -0.0000 1014 LYS 61 HN 0.0058 -0.0073 -0.0012 1015 LYS 61 CA 0.0019 -0.0103 0.0013 1016 LYS 61 HA 0.0008 -0.0110 0.0020 1017 LYS 61 CB 0.0045 -0.0130 0.0005 1018 LYS 61 HB1 0.0035 -0.0154 0.0014 1019 LYS 61 HB2 0.0059 -0.0130 -0.0002 1020 LYS 61 CG 0.0063 -0.0129 -0.0004 1021 LYS 61 HG1 0.0068 -0.0103 -0.0011 1022 LYS 61 HG2 0.0046 -0.0136 0.0006 1023 LYS 61 CD 0.0092 -0.0154 -0.0015 1024 LYS 61 HD1 0.0083 -0.0178 -0.0006 1025 LYS 61 HD2 0.0106 -0.0153 -0.0022 1026 LYS 61 CE 0.0109 -0.0146 -0.0025 1027 LYS 61 HE1 0.0096 -0.0151 -0.0017 1028 LYS 61 HE2 0.0129 -0.0163 -0.0032 1029 LYS 61 NZ 0.0119 -0.0112 -0.0036 1030 LYS 61 HZ1 0.0103 -0.0093 -0.0031 1031 LYS 61 HZ2 0.0139 -0.0111 -0.0046 1032 LYS 61 HZ3 0.0125 -0.0105 -0.0040 1033 LYS 61 C -0.0004 -0.0104 0.0025 1034 LYS 61 O -0.0021 -0.0127 0.0038 1035 ASP 62 N -0.0030 -0.0104 0.0047 1036 ASP 62 HN -0.0012 -0.0082 0.0021 1037 ASP 62 CA -0.0078 -0.0094 0.0071 1038 ASP 62 HA -0.0082 -0.0124 0.0094 1039 ASP 62 CB -0.0095 -0.0057 0.0058 1040 ASP 62 HB1 -0.0092 -0.0025 0.0035 1041 ASP 62 HB2 -0.0130 -0.0052 0.0078 1042 ASP 62 CG -0.0063 -0.0071 0.0047 1043 ASP 62 OD1 -0.0063 -0.0106 0.0070 1044 ASP 62 OD2 -0.0036 -0.0049 0.0014 1045 ASP 62 C -0.0113 -0.0082 0.0086 1046 ASP 62 O -0.0149 -0.0094 0.0118 1047 ASP 63 N -0.0107 -0.0057 0.0066 1048 ASP 63 HN -0.0079 -0.0046 0.0041 1049 ASP 63 CA -0.0140 -0.0047 0.0081 1050 ASP 63 HA -0.0172 -0.0031 0.0091 1051 ASP 63 CB -0.0124 -0.0014 0.0049 1052 ASP 63 HB1 -0.0086 -0.0030 0.0035 1053 ASP 63 HB2 -0.0143 -0.0009 0.0058 1054 ASP 63 CG -0.0133 0.0031 0.0025 1055 ASP 63 OD1 -0.0108 0.0057 -0.0007 1056 ASP 63 OD2 -0.0162 0.0045 0.0035 1057 ASP 63 C -0.0144 -0.0089 0.0111 1058 ASP 63 O -0.0116 -0.0109 0.0106 1059 GLN 64 N -0.0304 -0.0170 0.0207 1060 GLN 64 HN -0.0373 -0.0171 0.0204 1061 GLN 64 CA -0.0280 -0.0193 0.0259 1062 GLN 64 HA -0.0220 -0.0211 0.0301 1063 GLN 64 CB -0.0364 -0.0221 0.0311 1064 GLN 64 HB1 -0.0424 -0.0202 0.0264 1065 GLN 64 HB2 -0.0349 -0.0241 0.0353 1066 GLN 64 CG -0.0380 -0.0251 0.0372 1067 GLN 64 HG1 -0.0317 -0.0269 0.0416 1068 GLN 64 HG2 -0.0403 -0.0237 0.0341 1069 GLN 64 CD -0.0468 -0.0282 0.0431 1070 GLN 64 OE1 -0.0532 -0.0275 0.0411 1071 GLN 64 NE2 -0.0469 -0.0320 0.0510 1072 GLN 64 HE21 -0.0429 -0.0322 0.0519 1073 GLN 64 HE22 -0.0527 -0.0340 0.0548 1074 GLN 64 C -0.0247 -0.0165 0.0202 1075 GLN 64 O -0.0178 -0.0172 0.0222 1076 SER 65 N -0.0296 -0.0131 0.0126 1077 SER 65 HN -0.0356 -0.0129 0.0117 1078 SER 65 CA -0.0279 -0.0102 0.0065 1079 SER 65 HA -0.0300 -0.0115 0.0091 1080 SER 65 CB -0.0348 -0.0065 -0.0018 1081 SER 65 HB1 -0.0329 -0.0043 -0.0064 1082 SER 65 HB2 -0.0424 -0.0078 0.0003 1083 SER 65 OG -0.0345 -0.0043 -0.0063 1084 SER 65 HG1 -0.0408 -0.0033 -0.0091 1085 SER 65 C -0.0175 -0.0081 0.0030 1086 SER 65 O -0.0127 -0.0077 0.0025 1087 ILE 66 N -0.0121 -0.0039 0.0060 1088 ILE 66 HN -0.0122 -0.0033 0.0056 1089 ILE 66 CA -0.0087 -0.0035 0.0050 1090 ILE 66 HA -0.0094 -0.0027 0.0045 1091 ILE 66 CB -0.0065 -0.0013 0.0028 1092 ILE 66 HB -0.0038 -0.0012 0.0021 1093 ILE 66 CG2 -0.0089 0.0018 0.0010 1094 ILE 66 HG21 -0.0109 0.0020 0.0012 1095 ILE 66 HG22 -0.0070 0.0035 -0.0007 1096 ILE 66 HG23 -0.0102 0.0019 0.0012 1097 ILE 66 CG1 -0.0058 -0.0018 0.0030 1098 ILE 66 HG11 -0.0084 -0.0012 0.0031 1099 ILE 66 HG12 -0.0049 -0.0042 0.0047 1100 ILE 66 CD -0.0027 0.0001 0.0009 1101 ILE 66 HD1 0.0000 -0.0009 0.0010 1102 ILE 66 HD2 -0.0033 0.0026 -0.0009 1103 ILE 66 HD3 -0.0024 -0.0001 0.0010 1104 ILE 66 C -0.0060 -0.0063 0.0065 1105 ILE 66 O -0.0031 -0.0064 0.0059 1106 GLN 67 N -0.0065 -0.0088 0.0085 1107 GLN 67 HN -0.0089 -0.0088 0.0090 1108 GLN 67 CA -0.0036 -0.0113 0.0098 1109 GLN 67 HA -0.0015 -0.0102 0.0085 1110 GLN 67 CB -0.0049 -0.0138 0.0120 1111 GLN 67 HB1 -0.0058 -0.0128 0.0114 1112 GLN 67 HB2 -0.0075 -0.0146 0.0131 1113 GLN 67 CG -0.0017 -0.0164 0.0133 1114 GLN 67 HG1 -0.0030 -0.0181 0.0149 1115 GLN 67 HG2 -0.0006 -0.0174 0.0138 1116 GLN 67 CD 0.0013 -0.0153 0.0117 1117 GLN 67 OE1 0.0011 -0.0148 0.0115 1118 GLN 67 NE2 0.0043 -0.0147 0.0106 1119 GLN 67 HE21 0.0043 -0.0147 0.0107 1120 GLN 67 HE22 0.0065 -0.0142 0.0098 1121 GLN 67 C -0.0019 -0.0130 0.0107 1122 GLN 67 O 0.0014 -0.0135 0.0104 1123 LYS 68 N -0.0057 -0.0081 0.0106 1124 LYS 68 HN -0.0080 -0.0078 0.0111 1125 LYS 68 CA -0.0041 -0.0090 0.0111 1126 LYS 68 HA -0.0028 -0.0106 0.0125 1127 LYS 68 CB -0.0064 -0.0091 0.0121 1128 LYS 68 HB1 -0.0079 -0.0101 0.0137 1129 LYS 68 HB2 -0.0077 -0.0075 0.0107 1130 LYS 68 CG -0.0048 -0.0104 0.0130 1131 LYS 68 HG1 -0.0025 -0.0114 0.0134 1132 LYS 68 HG2 -0.0060 -0.0116 0.0149 1133 LYS 68 CD -0.0046 -0.0091 0.0114 1134 LYS 68 HD1 -0.0070 -0.0082 0.0112 1135 LYS 68 HD2 -0.0033 -0.0080 0.0096 1136 LYS 68 CE -0.0034 -0.0104 0.0125 1137 LYS 68 HE1 -0.0009 -0.0110 0.0123 1138 LYS 68 HE2 -0.0042 -0.0119 0.0145 1139 LYS 68 NZ -0.0044 -0.0090 0.0112 1140 LYS 68 HZ1 -0.0029 -0.0097 0.0114 1141 LYS 68 HZ2 -0.0067 -0.0087 0.0116 1142 LYS 68 HZ3 -0.0038 -0.0076 0.0093 1143 LYS 68 C -0.0019 -0.0078 0.0089 1144 LYS 68 O 0.0010 -0.0087 0.0089 1145 SER 69 N -0.0030 -0.0055 0.0066 1146 SER 69 HN -0.0051 -0.0048 0.0065 1147 SER 69 CA -0.0010 -0.0042 0.0044 1148 SER 69 HA -0.0004 -0.0044 0.0044 1149 SER 69 CB -0.0027 -0.0018 0.0022 1150 SER 69 HB1 -0.0033 -0.0013 0.0018 1151 SER 69 HB2 -0.0012 -0.0009 0.0006 1152 SER 69 OG -0.0055 -0.0015 0.0028 1153 SER 69 HG1 -0.0050 -0.0018 0.0030 1154 SER 69 C 0.0018 -0.0043 0.0035 1155 SER 69 O 0.0044 -0.0046 0.0030 1156 VAL 70 N -0.0000 -0.0047 0.0033 1157 VAL 70 HN -0.0010 -0.0047 0.0036 1158 VAL 70 CA 0.0017 -0.0050 0.0031 1159 VAL 70 HA 0.0024 -0.0040 0.0024 1160 VAL 70 CB 0.0019 -0.0049 0.0030 1161 VAL 70 HB 0.0011 -0.0058 0.0036 1162 VAL 70 CG1 0.0037 -0.0052 0.0027 1163 VAL 70 HG11 0.0045 -0.0045 0.0021 1164 VAL 70 HG12 0.0037 -0.0046 0.0024 1165 VAL 70 HG13 0.0043 -0.0064 0.0032 1166 VAL 70 CG2 0.0009 -0.0034 0.0025 1167 VAL 70 HG21 0.0010 -0.0035 0.0024 1168 VAL 70 HG22 0.0013 -0.0023 0.0018 1169 VAL 70 HG23 -0.0005 -0.0032 0.0027 1170 VAL 70 C 0.0026 -0.0065 0.0036 1171 VAL 70 O 0.0041 -0.0066 0.0033 1172 GLU 71 N 0.0018 -0.0078 0.0045 1173 GLU 71 HN 0.0006 -0.0077 0.0048 1174 GLU 71 CA 0.0026 -0.0093 0.0051 1175 GLU 71 HA 0.0038 -0.0097 0.0050 1176 GLU 71 CB 0.0014 -0.0106 0.0061 1177 GLU 71 HB1 0.0001 -0.0102 0.0062 1178 GLU 71 HB2 0.0020 -0.0117 0.0065 1179 GLU 71 CG 0.0012 -0.0108 0.0062 1180 GLU 71 HG1 0.0024 -0.0112 0.0061 1181 GLU 71 HG2 0.0006 -0.0098 0.0059 1182 GLU 71 CD -0.0000 -0.0121 0.0072 1183 GLU 71 OE1 -0.0012 -0.0123 0.0076 1184 GLU 71 OE2 0.0002 -0.0126 0.0074 1185 GLU 71 C 0.0033 -0.0093 0.0049 1186 GLU 71 O 0.0045 -0.0101 0.0050 1187 THR 72 N 0.0011 -0.0041 0.0044 1188 THR 72 HN 0.0002 -0.0035 0.0043 1189 THR 72 CA 0.0022 -0.0047 0.0041 1190 THR 72 HA 0.0028 -0.0053 0.0049 1191 THR 72 CB 0.0017 -0.0044 0.0043 1192 THR 72 HB 0.0010 -0.0037 0.0035 1193 THR 72 OG1 0.0011 -0.0046 0.0058 1194 THR 72 HG1 0.0003 -0.0042 0.0060 1195 THR 72 CG2 0.0028 -0.0050 0.0040 1196 THR 72 HG21 0.0033 -0.0049 0.0029 1197 THR 72 HG22 0.0036 -0.0057 0.0046 1198 THR 72 HG23 0.0025 -0.0049 0.0043 1199 THR 72 C 0.0030 -0.0046 0.0026 1200 THR 72 O 0.0041 -0.0053 0.0025 1201 ILE 73 N 0.0023 -0.0038 0.0016 1202 ILE 73 HN 0.0014 -0.0033 0.0017 1203 ILE 73 CA 0.0031 -0.0038 0.0002 1204 ILE 73 HA 0.0038 -0.0041 -0.0001 1205 ILE 73 CB 0.0021 -0.0028 -0.0008 1206 ILE 73 HB 0.0014 -0.0025 -0.0004 1207 ILE 73 CG2 0.0028 -0.0026 -0.0024 1208 ILE 73 HG21 0.0020 -0.0019 -0.0030 1209 ILE 73 HG22 0.0032 -0.0029 -0.0023 1210 ILE 73 HG23 0.0036 -0.0029 -0.0029 1211 ILE 73 CG1 0.0014 -0.0023 -0.0009 1212 ILE 73 HG11 0.0007 -0.0022 0.0001 1213 ILE 73 HG12 0.0009 -0.0017 -0.0018 1214 ILE 73 CD 0.0023 -0.0028 -0.0011 1215 ILE 73 HD1 0.0028 -0.0035 -0.0002 1216 ILE 73 HD2 0.0016 -0.0024 -0.0011 1217 ILE 73 HD3 0.0029 -0.0028 -0.0022 1218 ILE 73 C 0.0038 -0.0042 0.0002 1219 ILE 73 O 0.0050 -0.0048 -0.0003 1220 LYS 74 N 0.0003 -0.0064 0.0009 1221 LYS 74 HN 0.0005 -0.0066 0.0008 1222 LYS 74 CA 0.0004 -0.0065 0.0009 1223 LYS 74 HA 0.0005 -0.0064 0.0013 1224 LYS 74 CB 0.0008 -0.0069 0.0007 1225 LYS 74 HB1 0.0007 -0.0071 0.0003 1226 LYS 74 HB2 0.0008 -0.0070 0.0006 1227 LYS 74 CG 0.0012 -0.0071 0.0010 1228 LYS 74 HG1 0.0013 -0.0070 0.0014 1229 LYS 74 HG2 0.0012 -0.0071 0.0011 1230 LYS 74 CD 0.0016 -0.0075 0.0008 1231 LYS 74 HD1 0.0019 -0.0077 0.0010 1232 LYS 74 HD2 0.0015 -0.0077 0.0004 1233 LYS 74 CE 0.0016 -0.0076 0.0007 1234 LYS 74 HE1 0.0014 -0.0075 0.0004 1235 LYS 74 HE2 0.0016 -0.0075 0.0011 1236 LYS 74 NZ 0.0020 -0.0080 0.0006 1237 LYS 74 HZ1 0.0020 -0.0080 0.0006 1238 LYS 74 HZ2 0.0022 -0.0081 0.0009 1239 LYS 74 HZ3 0.0020 -0.0082 0.0002 1240 LYS 74 C 0.0000 -0.0063 0.0006 1241 LYS 74 O -0.0000 -0.0062 0.0008 1242 GLU 75 N -0.0003 -0.0063 0.0002 1243 GLU 75 HN -0.0002 -0.0064 0.0001 1244 GLU 75 CA -0.0006 -0.0060 0.0000 1245 GLU 75 HA -0.0006 -0.0061 -0.0001 1246 GLU 75 CB -0.0009 -0.0061 -0.0005 1247 GLU 75 HB1 -0.0007 -0.0063 -0.0007 1248 GLU 75 HB2 -0.0010 -0.0059 -0.0004 1249 GLU 75 CG -0.0013 -0.0059 -0.0008 1250 GLU 75 HG1 -0.0014 -0.0059 -0.0011 1251 GLU 75 HG2 -0.0015 -0.0056 -0.0006 1252 GLU 75 CD -0.0012 -0.0061 -0.0010 1253 GLU 75 OE1 -0.0008 -0.0062 -0.0008 1254 GLU 75 OE2 -0.0014 -0.0061 -0.0014 1255 GLU 75 C -0.0009 -0.0056 0.0004 1256 GLU 75 O -0.0011 -0.0055 0.0004 1257 ASP 76 N -0.0028 -0.0039 -0.0017 1258 ASP 76 HN -0.0027 -0.0037 -0.0014 1259 ASP 76 CA -0.0028 -0.0043 -0.0018 1260 ASP 76 HA -0.0028 -0.0046 -0.0017 1261 ASP 76 CB -0.0028 -0.0043 -0.0015 1262 ASP 76 HB1 -0.0027 -0.0042 -0.0011 1263 ASP 76 HB2 -0.0028 -0.0040 -0.0016 1264 ASP 76 CG -0.0028 -0.0048 -0.0015 1265 ASP 76 OD1 -0.0028 -0.0051 -0.0012 1266 ASP 76 OD2 -0.0028 -0.0048 -0.0017 1267 ASP 76 C -0.0029 -0.0044 -0.0023 1268 ASP 76 O -0.0029 -0.0048 -0.0025 1269 MET 77 N -0.0029 -0.0040 -0.0026 1270 MET 77 HN -0.0028 -0.0037 -0.0024 1271 MET 77 CA -0.0029 -0.0040 -0.0031 1272 MET 77 HA -0.0029 -0.0043 -0.0032 1273 MET 77 CB -0.0029 -0.0035 -0.0032 1274 MET 77 HB1 -0.0029 -0.0032 -0.0031 1275 MET 77 HB2 -0.0029 -0.0034 -0.0036 1276 MET 77 CG -0.0029 -0.0034 -0.0031 1277 MET 77 HG1 -0.0029 -0.0037 -0.0032 1278 MET 77 HG2 -0.0028 -0.0035 -0.0027 1279 MET 77 SD -0.0028 -0.0029 -0.0032 1280 MET 77 CE -0.0028 -0.0030 -0.0027 1281 MET 77 HE1 -0.0028 -0.0033 -0.0028 1282 MET 77 HE2 -0.0028 -0.0030 -0.0024 1283 MET 77 HE3 -0.0028 -0.0027 -0.0028 1284 MET 77 C -0.0029 -0.0041 -0.0033 1285 MET 77 O -0.0030 -0.0044 -0.0036 1286 ASN 78 N -0.0058 -0.0065 0.0001 1287 ASN 78 HN -0.0059 -0.0067 -0.0003 1288 ASN 78 CA -0.0057 -0.0059 0.0007 1289 ASN 78 HA -0.0059 -0.0060 0.0011 1290 ASN 78 CB -0.0058 -0.0059 0.0008 1291 ASN 78 HB1 -0.0055 -0.0058 0.0004 1292 ASN 78 HB2 -0.0057 -0.0056 0.0013 1293 ASN 78 CG -0.0063 -0.0065 0.0009 1294 ASN 78 OD1 -0.0067 -0.0067 0.0013 1295 ASN 78 ND2 -0.0064 -0.0067 0.0006 1296 ASN 78 HD21 -0.0060 -0.0066 0.0002 1297 ASN 78 HD22 -0.0067 -0.0070 0.0008 1298 ASN 78 C -0.0051 -0.0054 0.0006 1299 ASN 78 O -0.0050 -0.0050 0.0010 1300 VAL 79 N -0.0047 -0.0053 -0.0000 1301 VAL 79 HN -0.0048 -0.0056 -0.0004 1302 VAL 79 CA -0.0042 -0.0047 -0.0002 1303 VAL 79 HA -0.0041 -0.0044 0.0002 1304 VAL 79 CB -0.0038 -0.0047 -0.0009 1305 VAL 79 HB -0.0040 -0.0051 -0.0013 1306 VAL 79 CG1 -0.0033 -0.0041 -0.0010 1307 VAL 79 HG11 -0.0031 -0.0040 -0.0011 1308 VAL 79 HG12 -0.0032 -0.0038 -0.0005 1309 VAL 79 HG13 -0.0030 -0.0040 -0.0014 1310 VAL 79 CG2 -0.0040 -0.0048 -0.0007 1311 VAL 79 HG21 -0.0038 -0.0044 -0.0003 1312 VAL 79 HG22 -0.0044 -0.0051 -0.0005 1313 VAL 79 HG23 -0.0038 -0.0049 -0.0012 1314 VAL 79 C -0.0041 -0.0046 -0.0002 1315 VAL 79 O -0.0038 -0.0041 0.0002 1316 LYS 80 N -0.0054 -0.0039 -0.0020 1317 LYS 80 HN -0.0058 -0.0038 -0.0021 1318 LYS 80 CA -0.0050 -0.0039 -0.0026 1319 LYS 80 HA -0.0045 -0.0040 -0.0025 1320 LYS 80 CB -0.0051 -0.0037 -0.0031 1321 LYS 80 HB1 -0.0056 -0.0036 -0.0033 1322 LYS 80 HB2 -0.0048 -0.0038 -0.0034 1323 LYS 80 CG -0.0052 -0.0038 -0.0029 1324 LYS 80 HG1 -0.0055 -0.0037 -0.0026 1325 LYS 80 HG2 -0.0053 -0.0037 -0.0033 1326 LYS 80 CD -0.0045 -0.0039 -0.0027 1327 LYS 80 HD1 -0.0042 -0.0039 -0.0030 1328 LYS 80 HD2 -0.0044 -0.0040 -0.0023 1329 LYS 80 CE -0.0045 -0.0039 -0.0026 1330 LYS 80 HE1 -0.0048 -0.0039 -0.0023 1331 LYS 80 HE2 -0.0046 -0.0039 -0.0030 1332 LYS 80 NZ -0.0039 -0.0041 -0.0023 1333 LYS 80 HZ1 -0.0038 -0.0042 -0.0021 1334 LYS 80 HZ2 -0.0040 -0.0041 -0.0020 1335 LYS 80 HZ3 -0.0036 -0.0041 -0.0026 1336 LYS 80 C -0.0050 -0.0038 -0.0028 1337 LYS 80 O -0.0045 -0.0039 -0.0030 1338 PHE 81 N -0.0055 -0.0037 -0.0027 1339 PHE 81 HN -0.0058 -0.0037 -0.0025 1340 PHE 81 CA -0.0054 -0.0037 -0.0029 1341 PHE 81 HA -0.0051 -0.0037 -0.0032 1342 PHE 81 CB -0.0060 -0.0036 -0.0031 1343 PHE 81 HB1 -0.0061 -0.0035 -0.0035 1344 PHE 81 HB2 -0.0064 -0.0035 -0.0028 1345 PHE 81 CG -0.0061 -0.0035 -0.0034 1346 PHE 81 CD1 -0.0058 -0.0035 -0.0039 1347 PHE 81 HD1 -0.0054 -0.0035 -0.0041 1348 PHE 81 CE1 -0.0059 -0.0034 -0.0041 1349 PHE 81 HE1 -0.0056 -0.0034 -0.0045 1350 PHE 81 CZ -0.0062 -0.0034 -0.0038 1351 PHE 81 HZ -0.0064 -0.0034 -0.0040 1352 PHE 81 CD2 -0.0065 -0.0035 -0.0031 1353 PHE 81 HD2 -0.0066 -0.0035 -0.0027 1354 PHE 81 CE2 -0.0065 -0.0034 -0.0033 1355 PHE 81 HE2 -0.0068 -0.0034 -0.0030 1356 PHE 81 C -0.0053 -0.0038 -0.0024 1357 PHE 81 O -0.0050 -0.0039 -0.0024 1358 PHE 82 N -0.0039 -0.0046 0.0010 1359 PHE 82 HN -0.0048 -0.0046 0.0011 1360 PHE 82 CA -0.0036 -0.0051 0.0024 1361 PHE 82 HA -0.0030 -0.0051 0.0021 1362 PHE 82 CB -0.0052 -0.0051 0.0034 1363 PHE 82 HB1 -0.0059 -0.0051 0.0036 1364 PHE 82 HB2 -0.0049 -0.0055 0.0046 1365 PHE 82 CG -0.0063 -0.0048 0.0026 1366 PHE 82 CD1 -0.0060 -0.0048 0.0025 1367 PHE 82 HD1 -0.0049 -0.0051 0.0030 1368 PHE 82 CE1 -0.0071 -0.0044 0.0017 1369 PHE 82 HE1 -0.0069 -0.0044 0.0017 1370 PHE 82 CZ -0.0086 -0.0040 0.0011 1371 PHE 82 HZ -0.0094 -0.0037 0.0005 1372 PHE 82 CD2 -0.0078 -0.0044 0.0020 1373 PHE 82 HD2 -0.0079 -0.0043 0.0019 1374 PHE 82 CE2 -0.0090 -0.0040 0.0014 1375 PHE 82 HE2 -0.0101 -0.0037 0.0009 1376 PHE 82 C -0.0023 -0.0055 0.0034 1377 PHE 82 O -0.0018 -0.0059 0.0046 1378 ASN 83 N -0.0018 -0.0055 0.0029 1379 ASN 83 HN -0.0021 -0.0052 0.0019 1380 ASN 83 CA -0.0004 -0.0059 0.0037 1381 ASN 83 HA -0.0002 -0.0057 0.0030 1382 ASN 83 CB 0.0011 -0.0061 0.0038 1383 ASN 83 HB1 0.0011 -0.0058 0.0027 1384 ASN 83 HB2 0.0010 -0.0064 0.0049 1385 ASN 83 CG 0.0027 -0.0063 0.0036 1386 ASN 83 OD1 0.0039 -0.0065 0.0038 1387 ASN 83 ND2 0.0029 -0.0062 0.0033 1388 ASN 83 HD21 0.0019 -0.0060 0.0030 1389 ASN 83 HD22 0.0041 -0.0064 0.0032 1390 ASN 83 C -0.0009 -0.0063 0.0055 1391 ASN 83 O 0.0001 -0.0067 0.0065 1392 SER 84 N -0.0015 -0.0069 0.0055 1393 SER 84 HN -0.0026 -0.0068 0.0038 1394 SER 84 CA -0.0028 -0.0076 0.0075 1395 SER 84 HA -0.0047 -0.0078 0.0065 1396 SER 84 CB -0.0016 -0.0074 0.0081 1397 SER 84 HB1 0.0000 -0.0073 0.0096 1398 SER 84 HB2 -0.0030 -0.0079 0.0090 1399 SER 84 OG -0.0010 -0.0068 0.0056 1400 SER 84 HG1 -0.0007 -0.0068 0.0059 1401 SER 84 C -0.0029 -0.0080 0.0102 1402 SER 84 O -0.0029 -0.0084 0.0122 1403 ASN 85 N -0.0028 -0.0080 0.0103 1404 ASN 85 HN -0.0029 -0.0077 0.0085 1405 ASN 85 CA -0.0027 -0.0084 0.0125 1406 ASN 85 HA -0.0022 -0.0086 0.0142 1407 ASN 85 CB -0.0007 -0.0079 0.0122 1408 ASN 85 HB1 0.0012 -0.0073 0.0114 1409 ASN 85 HB2 -0.0017 -0.0079 0.0109 1410 ASN 85 CG 0.0001 -0.0082 0.0148 1411 ASN 85 OD1 -0.0015 -0.0088 0.0163 1412 ASN 85 ND2 0.0026 -0.0078 0.0155 1413 ASN 85 HD21 0.0037 -0.0073 0.0143 1414 ASN 85 HD22 0.0032 -0.0080 0.0174 1415 ASN 85 C -0.0054 -0.0091 0.0132 1416 ASN 85 O -0.0065 -0.0091 0.0115 1417 LYS 86 N -0.0060 -0.0111 0.0182 1418 LYS 86 HN -0.0047 -0.0121 0.0201 1419 LYS 86 CA -0.0091 -0.0097 0.0189 1420 LYS 86 HA -0.0105 -0.0087 0.0173 1421 LYS 86 CB -0.0099 -0.0100 0.0227 1422 LYS 86 HB1 -0.0092 -0.0103 0.0230 1423 LYS 86 HB2 -0.0086 -0.0109 0.0243 1424 LYS 86 CG -0.0133 -0.0084 0.0239 1425 LYS 86 HG1 -0.0145 -0.0075 0.0223 1426 LYS 86 HG2 -0.0144 -0.0077 0.0233 1427 LYS 86 CD -0.0138 -0.0088 0.0276 1428 LYS 86 HD1 -0.0162 -0.0077 0.0286 1429 LYS 86 HD2 -0.0127 -0.0096 0.0289 1430 LYS 86 CE -0.0125 -0.0097 0.0286 1431 LYS 86 HE1 -0.0129 -0.0099 0.0314 1432 LYS 86 HE2 -0.0099 -0.0109 0.0282 1433 LYS 86 NZ -0.0141 -0.0086 0.0271 1434 LYS 86 HZ1 -0.0148 -0.0078 0.0247 1435 LYS 86 HZ2 -0.0160 -0.0078 0.0287 1436 LYS 86 HZ3 -0.0127 -0.0092 0.0270 1437 LYS 86 C -0.0096 -0.0093 0.0179 1438 LYS 86 O -0.0118 -0.0078 0.0166 1439 LYS 87 N -0.0073 -0.0105 0.0187 1440 LYS 87 HN -0.0054 -0.0117 0.0198 1441 LYS 87 CA -0.0075 -0.0102 0.0173 1442 LYS 87 HA -0.0097 -0.0092 0.0183 1443 LYS 87 CB -0.0047 -0.0119 0.0188 1444 LYS 87 HB1 -0.0049 -0.0123 0.0217 1445 LYS 87 HB2 -0.0025 -0.0129 0.0182 1446 LYS 87 CG -0.0043 -0.0120 0.0180 1447 LYS 87 HG1 -0.0024 -0.0132 0.0192 1448 LYS 87 HG2 -0.0033 -0.0120 0.0153 1449 LYS 87 CD -0.0071 -0.0106 0.0182 1450 LYS 87 HD1 -0.0090 -0.0093 0.0167 1451 LYS 87 HD2 -0.0084 -0.0104 0.0208 1452 LYS 87 CE -0.0062 -0.0108 0.0171 1453 LYS 87 HE1 -0.0049 -0.0119 0.0191 1454 LYS 87 HE2 -0.0047 -0.0112 0.0147 1455 LYS 87 NZ -0.0089 -0.0093 0.0162 1456 LYS 87 HZ1 -0.0108 -0.0086 0.0179 1457 LYS 87 HZ2 -0.0085 -0.0095 0.0162 1458 LYS 87 HZ3 -0.0097 -0.0085 0.0138 1459 LYS 87 C -0.0073 -0.0096 0.0135 1460 LYS 87 O -0.0088 -0.0086 0.0121 1461 LYS 88 N -0.0060 -0.0077 0.0112 1462 LYS 88 HN -0.0053 -0.0080 0.0115 1463 LYS 88 CA -0.0061 -0.0072 0.0096 1464 LYS 88 HA -0.0057 -0.0072 0.0093 1465 LYS 88 CB -0.0050 -0.0073 0.0090 1466 LYS 88 HB1 -0.0041 -0.0077 0.0096 1467 LYS 88 HB2 -0.0056 -0.0071 0.0088 1468 LYS 88 CG -0.0045 -0.0069 0.0075 1469 LYS 88 HG1 -0.0053 -0.0064 0.0068 1470 LYS 88 HG2 -0.0039 -0.0070 0.0075 1471 LYS 88 CD -0.0034 -0.0069 0.0068 1472 LYS 88 HD1 -0.0039 -0.0067 0.0064 1473 LYS 88 HD2 -0.0029 -0.0067 0.0058 1474 LYS 88 CE -0.0021 -0.0075 0.0076 1475 LYS 88 HE1 -0.0014 -0.0078 0.0078 1476 LYS 88 HE2 -0.0024 -0.0078 0.0086 1477 LYS 88 NZ -0.0012 -0.0074 0.0067 1478 LYS 88 HZ1 -0.0004 -0.0075 0.0063 1479 LYS 88 HZ2 -0.0007 -0.0078 0.0073 1480 LYS 88 HZ3 -0.0017 -0.0070 0.0059 1481 LYS 88 C -0.0075 -0.0067 0.0091 1482 LYS 88 O -0.0078 -0.0063 0.0082 1483 ARG 89 N -0.0083 -0.0066 0.0096 1484 ARG 89 HN -0.0078 -0.0070 0.0102 1485 ARG 89 CA -0.0097 -0.0062 0.0092 1486 ARG 89 HA -0.0096 -0.0058 0.0081 1487 ARG 89 CB -0.0103 -0.0062 0.0098 1488 ARG 89 HB1 -0.0094 -0.0064 0.0097 1489 ARG 89 HB2 -0.0107 -0.0065 0.0109 1490 ARG 89 CG -0.0115 -0.0056 0.0089 1491 ARG 89 HG1 -0.0118 -0.0053 0.0081 1492 ARG 89 HG2 -0.0111 -0.0055 0.0083 1493 ARG 89 CD -0.0127 -0.0056 0.0098 1494 ARG 89 HD1 -0.0133 -0.0057 0.0104 1495 ARG 89 HD2 -0.0135 -0.0052 0.0091 1496 ARG 89 NE -0.0121 -0.0061 0.0108 1497 ARG 89 HE -0.0112 -0.0062 0.0104 1498 ARG 89 CZ -0.0124 -0.0065 0.0121 1499 ARG 89 NH1 -0.0133 -0.0065 0.0128 1500 ARG 89 HH11 -0.0137 -0.0063 0.0125 1501 ARG 89 HH12 -0.0136 -0.0067 0.0138 1502 ARG 89 NH2 -0.0119 -0.0068 0.0127 1503 ARG 89 HH21 -0.0109 -0.0070 0.0124 1504 ARG 89 HH22 -0.0122 -0.0070 0.0137 1505 ARG 89 C -0.0107 -0.0061 0.0096 1506 ARG 89 O -0.0114 -0.0056 0.0088 1507 ASP 90 N -0.0116 -0.0054 0.0132 1508 ASP 90 HN -0.0111 -0.0064 0.0140 1509 ASP 90 CA -0.0122 -0.0050 0.0133 1510 ASP 90 HA -0.0134 -0.0040 0.0134 1511 ASP 90 CB -0.0119 -0.0062 0.0148 1512 ASP 90 HB1 -0.0106 -0.0072 0.0146 1513 ASP 90 HB2 -0.0123 -0.0059 0.0148 1514 ASP 90 CG -0.0130 -0.0064 0.0164 1515 ASP 90 OD1 -0.0144 -0.0054 0.0167 1516 ASP 90 OD2 -0.0125 -0.0077 0.0177 1517 ASP 90 C -0.0114 -0.0045 0.0117 1518 ASP 90 O -0.0123 -0.0034 0.0111 1519 ASP 91 N -0.0099 -0.0053 0.0109 1520 ASP 91 HN -0.0092 -0.0061 0.0114 1521 ASP 91 CA -0.0089 -0.0050 0.0093 1522 ASP 91 HA -0.0091 -0.0048 0.0094 1523 ASP 91 CB -0.0070 -0.0063 0.0089 1524 ASP 91 HB1 -0.0067 -0.0065 0.0090 1525 ASP 91 HB2 -0.0061 -0.0061 0.0076 1526 ASP 91 CG -0.0063 -0.0076 0.0101 1527 ASP 91 OD1 -0.0070 -0.0077 0.0110 1528 ASP 91 OD2 -0.0049 -0.0087 0.0100 1529 ASP 91 C -0.0093 -0.0036 0.0077 1530 ASP 91 O -0.0093 -0.0028 0.0066 1531 PHE 92 N -0.0068 -0.0016 0.0059 1532 PHE 92 HN -0.0062 -0.0016 0.0062 1533 PHE 92 CA -0.0073 -0.0014 0.0047 1534 PHE 92 HA -0.0070 -0.0014 0.0042 1535 PHE 92 CB -0.0069 -0.0014 0.0041 1536 PHE 92 HB1 -0.0059 -0.0015 0.0040 1537 PHE 92 HB2 -0.0070 -0.0014 0.0046 1538 PHE 92 CG -0.0073 -0.0013 0.0028 1539 PHE 92 CD1 -0.0069 -0.0012 0.0019 1540 PHE 92 HD1 -0.0061 -0.0013 0.0020 1541 PHE 92 CE1 -0.0072 -0.0011 0.0008 1542 PHE 92 HE1 -0.0069 -0.0010 -0.0000 1543 PHE 92 CZ -0.0082 -0.0010 0.0006 1544 PHE 92 HZ -0.0083 -0.0009 -0.0003 1545 PHE 92 CD2 -0.0082 -0.0012 0.0027 1546 PHE 92 HD2 -0.0088 -0.0012 0.0034 1547 PHE 92 CE2 -0.0087 -0.0010 0.0016 1548 PHE 92 HE2 -0.0094 -0.0010 0.0013 1549 PHE 92 C -0.0086 -0.0013 0.0048 1550 PHE 92 O -0.0092 -0.0012 0.0042 1551 GLU 93 N -0.0091 -0.0014 0.0056 1552 GLU 93 HN -0.0086 -0.0015 0.0060 1553 GLU 93 CA -0.0104 -0.0013 0.0057 1554 GLU 93 HA -0.0108 -0.0012 0.0049 1555 GLU 93 CB -0.0106 -0.0014 0.0066 1556 GLU 93 HB1 -0.0101 -0.0015 0.0075 1557 GLU 93 HB2 -0.0115 -0.0013 0.0068 1558 GLU 93 CG -0.0102 -0.0014 0.0062 1559 GLU 93 HG1 -0.0098 -0.0013 0.0053 1560 GLU 93 HG2 -0.0095 -0.0015 0.0068 1561 GLU 93 CD -0.0113 -0.0013 0.0062 1562 GLU 93 OE1 -0.0118 -0.0013 0.0072 1563 GLU 93 OE2 -0.0115 -0.0012 0.0053 1564 GLU 93 C -0.0110 -0.0013 0.0062 1565 GLU 93 O -0.0120 -0.0012 0.0058 1566 LYS 94 N -0.0088 -0.0009 0.0081 1567 LYS 94 HN -0.0087 -0.0015 0.0083 1568 LYS 94 CA -0.0083 -0.0009 0.0075 1569 LYS 94 HA -0.0087 -0.0004 0.0076 1570 LYS 94 CB -0.0077 -0.0019 0.0076 1571 LYS 94 HB1 -0.0081 -0.0024 0.0083 1572 LYS 94 HB2 -0.0072 -0.0022 0.0072 1573 LYS 94 CG -0.0074 -0.0020 0.0073 1574 LYS 94 HG1 -0.0071 -0.0015 0.0066 1575 LYS 94 HG2 -0.0079 -0.0017 0.0076 1576 LYS 94 CD -0.0068 -0.0030 0.0073 1577 LYS 94 HD1 -0.0067 -0.0034 0.0075 1578 LYS 94 HD2 -0.0062 -0.0029 0.0066 1579 LYS 94 CE -0.0070 -0.0036 0.0079 1580 LYS 94 HE1 -0.0066 -0.0043 0.0079 1581 LYS 94 HE2 -0.0072 -0.0031 0.0078 1582 LYS 94 NZ -0.0078 -0.0037 0.0088 1583 LYS 94 HZ1 -0.0082 -0.0030 0.0089 1584 LYS 94 HZ2 -0.0078 -0.0039 0.0089 1585 LYS 94 HZ3 -0.0078 -0.0042 0.0092 1586 LYS 94 C -0.0078 -0.0002 0.0066 1587 LYS 94 O -0.0078 0.0004 0.0061 1588 LEU 95 N -0.0074 -0.0003 0.0061 1589 LEU 95 HN -0.0073 -0.0008 0.0064 1590 LEU 95 CA -0.0069 0.0003 0.0052 1591 LEU 95 HA -0.0065 0.0002 0.0049 1592 LEU 95 CB -0.0065 0.0001 0.0049 1593 LEU 95 HB1 -0.0068 0.0001 0.0053 1594 LEU 95 HB2 -0.0062 0.0006 0.0043 1595 LEU 95 CG -0.0057 -0.0010 0.0048 1596 LEU 95 HG -0.0060 -0.0015 0.0055 1597 LEU 95 CD1 -0.0054 -0.0013 0.0046 1598 LEU 95 HD11 -0.0050 -0.0009 0.0040 1599 LEU 95 HD12 -0.0049 -0.0021 0.0046 1600 LEU 95 HD13 -0.0059 -0.0011 0.0051 1601 LEU 95 CD2 -0.0051 -0.0011 0.0042 1602 LEU 95 HD21 -0.0047 -0.0007 0.0035 1603 LEU 95 HD22 -0.0053 -0.0010 0.0043 1604 LEU 95 HD23 -0.0046 -0.0019 0.0041 1605 LEU 95 C -0.0075 0.0014 0.0051 1606 LEU 95 O -0.0072 0.0021 0.0044 1607 THR 96 N -0.0066 0.0016 0.0043 1608 THR 96 HN -0.0065 0.0016 0.0044 1609 THR 96 CA -0.0067 0.0016 0.0042 1610 THR 96 HA -0.0067 0.0015 0.0041 1611 THR 96 CB -0.0065 0.0015 0.0042 1612 THR 96 HB -0.0066 0.0015 0.0042 1613 THR 96 OG1 -0.0064 0.0015 0.0044 1614 THR 96 HG1 -0.0064 0.0015 0.0044 1615 THR 96 CG2 -0.0064 0.0014 0.0041 1616 THR 96 HG21 -0.0063 0.0014 0.0042 1617 THR 96 HG22 -0.0063 0.0013 0.0041 1618 THR 96 HG23 -0.0064 0.0013 0.0040 1619 THR 96 C -0.0068 0.0017 0.0043 1620 THR 96 O -0.0069 0.0017 0.0042 1621 ASN 97 N -0.0069 0.0018 0.0044 1622 ASN 97 HN -0.0068 0.0018 0.0045 1623 ASN 97 CA -0.0070 0.0019 0.0045 1624 ASN 97 HA -0.0071 0.0019 0.0044 1625 ASN 97 CB -0.0070 0.0020 0.0047 1626 ASN 97 HB1 -0.0069 0.0020 0.0048 1627 ASN 97 HB2 -0.0071 0.0021 0.0047 1628 ASN 97 CG -0.0069 0.0020 0.0047 1629 ASN 97 OD1 -0.0070 0.0021 0.0048 1630 ASN 97 ND2 -0.0067 0.0019 0.0047 1631 ASN 97 HD21 -0.0066 0.0018 0.0048 1632 ASN 97 HD22 -0.0067 0.0019 0.0047 1633 ASN 97 C -0.0072 0.0020 0.0044 1634 ASN 97 O -0.0073 0.0021 0.0045 1635 TYR 98 N 0.0020 0.0035 0.0056 1636 TYR 98 HN 0.0009 0.0033 0.0061 1637 TYR 98 CA 0.0031 0.0037 0.0048 1638 TYR 98 HA 0.0038 0.0036 0.0038 1639 TYR 98 CB 0.0023 0.0032 0.0044 1640 TYR 98 HB1 0.0017 0.0034 0.0056 1641 TYR 98 HB2 0.0033 0.0034 0.0039 1642 TYR 98 CG 0.0013 0.0023 0.0032 1643 TYR 98 CD1 0.0016 0.0020 0.0018 1644 TYR 98 HD1 0.0026 0.0023 0.0018 1645 TYR 98 CE1 0.0006 0.0011 0.0007 1646 TYR 98 HE1 0.0008 0.0008 -0.0004 1647 TYR 98 CZ -0.0007 0.0005 0.0007 1648 TYR 98 OH -0.0018 -0.0003 -0.0004 1649 TYR 98 HH -0.0024 -0.0005 -0.0002 1650 TYR 98 CD2 -0.0000 0.0018 0.0032 1651 TYR 98 HD2 -0.0004 0.0020 0.0042 1652 TYR 98 CE2 -0.0011 0.0009 0.0021 1653 TYR 98 HE2 -0.0021 0.0005 0.0021 1654 TYR 98 C 0.0043 0.0047 0.0060 1655 TYR 98 O 0.0039 0.0051 0.0074 1656 SER 99 N 0.0058 0.0050 0.0052 1657 SER 99 HN 0.0060 0.0047 0.0041 1658 SER 99 CA 0.0070 0.0059 0.0061 1659 SER 99 HA 0.0068 0.0062 0.0073 1660 SER 99 CB 0.0085 0.0063 0.0056 1661 SER 99 HB1 0.0081 0.0062 0.0057 1662 SER 99 HB2 0.0090 0.0061 0.0044 1663 SER 99 OG 0.0098 0.0072 0.0065 1664 SER 99 HG1 0.0104 0.0075 0.0065 1665 SER 99 C 0.0075 0.0060 0.0059 1666 SER 99 O 0.0077 0.0056 0.0046 1667 VAL 100 N 0.0086 0.0058 0.0045 1668 VAL 100 HN 0.0090 0.0059 0.0054 1669 VAL 100 CA 0.0083 0.0057 0.0039 1670 VAL 100 HA 0.0075 0.0053 0.0032 1671 VAL 100 CB 0.0079 0.0051 0.0051 1672 VAL 100 HB 0.0075 0.0049 0.0046 1673 VAL 100 CG1 0.0069 0.0042 0.0058 1674 VAL 100 HG11 0.0071 0.0043 0.0062 1675 VAL 100 HG12 0.0066 0.0038 0.0066 1676 VAL 100 HG13 0.0062 0.0039 0.0049 1677 VAL 100 CG2 0.0088 0.0056 0.0062 1678 VAL 100 HG21 0.0094 0.0058 0.0067 1679 VAL 100 HG22 0.0095 0.0062 0.0057 1680 VAL 100 HG23 0.0086 0.0052 0.0070 1681 VAL 100 C 0.0092 0.0066 0.0034 1682 VAL 100 O 0.0090 0.0066 0.0025 1683 THR 101 N 0.0103 0.0073 0.0037 1684 THR 101 HN 0.0104 0.0073 0.0042 1685 THR 101 CA 0.0112 0.0082 0.0031 1686 THR 101 HA 0.0111 0.0080 0.0032 1687 THR 101 CB 0.0124 0.0088 0.0040 1688 THR 101 HB 0.0131 0.0095 0.0036 1689 THR 101 OG1 0.0126 0.0089 0.0042 1690 THR 101 HG1 0.0130 0.0094 0.0035 1691 THR 101 CG2 0.0125 0.0085 0.0054 1692 THR 101 HG21 0.0125 0.0086 0.0052 1693 THR 101 HG22 0.0117 0.0078 0.0058 1694 THR 101 HG23 0.0133 0.0089 0.0061 1695 THR 101 C 0.0113 0.0086 0.0016 1696 THR 101 O 0.0117 0.0091 0.0009 1697 ASP 102 N 0.0130 0.0057 0.0023 1698 ASP 102 HN 0.0124 0.0057 0.0026 1699 ASP 102 CA 0.0130 0.0058 0.0006 1700 ASP 102 HA 0.0143 0.0057 0.0003 1701 ASP 102 CB 0.0125 0.0060 -0.0008 1702 ASP 102 HB1 0.0133 0.0059 -0.0009 1703 ASP 102 HB2 0.0111 0.0061 -0.0005 1704 ASP 102 CG 0.0126 0.0062 -0.0026 1705 ASP 102 OD1 0.0114 0.0063 -0.0033 1706 ASP 102 OD2 0.0140 0.0061 -0.0035 1707 ASP 102 C 0.0122 0.0059 0.0004 1708 ASP 102 O 0.0108 0.0060 0.0009 1709 LEU 103 N 0.0131 0.0059 -0.0003 1710 LEU 103 HN 0.0141 0.0059 -0.0010 1711 LEU 103 CA 0.0127 0.0059 -0.0003 1712 LEU 103 HA 0.0124 0.0058 0.0010 1713 LEU 103 CB 0.0142 0.0059 -0.0010 1714 LEU 103 HB1 0.0154 0.0057 -0.0004 1715 LEU 103 HB2 0.0143 0.0060 -0.0024 1716 LEU 103 CG 0.0144 0.0058 -0.0006 1717 LEU 103 HG 0.0138 0.0057 0.0007 1718 LEU 103 CD1 0.0163 0.0056 -0.0005 1719 LEU 103 HD11 0.0165 0.0056 -0.0002 1720 LEU 103 HD12 0.0169 0.0055 0.0005 1721 LEU 103 HD13 0.0168 0.0057 -0.0018 1722 LEU 103 CD2 0.0135 0.0060 -0.0019 1723 LEU 103 HD21 0.0121 0.0062 -0.0021 1724 LEU 103 HD22 0.0136 0.0060 -0.0018 1725 LEU 103 HD23 0.0141 0.0061 -0.0031 1726 LEU 103 C 0.0111 0.0062 -0.0014 1727 LEU 103 O 0.0100 0.0063 -0.0011 1728 ASN 104 N 0.0138 0.0048 -0.0028 1729 ASN 104 HN 0.0143 0.0048 -0.0027 1730 ASN 104 CA 0.0122 0.0045 -0.0043 1731 ASN 104 HA 0.0125 0.0045 -0.0049 1732 ASN 104 CB 0.0121 0.0043 -0.0061 1733 ASN 104 HB1 0.0117 0.0044 -0.0056 1734 ASN 104 HB2 0.0110 0.0042 -0.0072 1735 ASN 104 CG 0.0141 0.0043 -0.0071 1736 ASN 104 OD1 0.0145 0.0043 -0.0081 1737 ASN 104 ND2 0.0153 0.0045 -0.0066 1738 ASN 104 HD21 0.0149 0.0045 -0.0056 1739 ASN 104 HD22 0.0168 0.0045 -0.0069 1740 ASN 104 C 0.0101 0.0045 -0.0034 1741 ASN 104 O 0.0087 0.0044 -0.0037 1742 VAL 105 N 0.0098 0.0046 -0.0021 1743 VAL 105 HN 0.0111 0.0047 -0.0019 1744 VAL 105 CA 0.0081 0.0047 -0.0009 1745 VAL 105 HA 0.0069 0.0045 -0.0020 1746 VAL 105 CB 0.0084 0.0048 0.0001 1747 VAL 105 HB 0.0099 0.0050 0.0008 1748 VAL 105 CG1 0.0066 0.0048 0.0013 1749 VAL 105 HG11 0.0063 0.0049 0.0023 1750 VAL 105 HG12 0.0053 0.0046 0.0003 1751 VAL 105 HG13 0.0070 0.0050 0.0022 1752 VAL 105 CG2 0.0085 0.0046 -0.0016 1753 VAL 105 HG21 0.0085 0.0047 -0.0009 1754 VAL 105 HG22 0.0071 0.0044 -0.0025 1755 VAL 105 HG23 0.0098 0.0046 -0.0026 1756 VAL 105 C 0.0078 0.0048 0.0006 1757 VAL 105 O 0.0061 0.0048 0.0012 1758 GLN 106 N 0.0072 0.0052 0.0016 1759 GLN 106 HN 0.0073 0.0053 0.0016 1760 GLN 106 CA 0.0069 0.0050 0.0017 1761 GLN 106 HA 0.0069 0.0048 0.0018 1762 GLN 106 CB 0.0069 0.0049 0.0017 1763 GLN 106 HB1 0.0070 0.0052 0.0016 1764 GLN 106 HB2 0.0066 0.0049 0.0017 1765 GLN 106 CG 0.0071 0.0047 0.0018 1766 GLN 106 HG1 0.0071 0.0045 0.0019 1767 GLN 106 HG2 0.0074 0.0048 0.0018 1768 GLN 106 CD 0.0072 0.0046 0.0019 1769 GLN 106 OE1 0.0070 0.0047 0.0018 1770 GLN 106 NE2 0.0075 0.0045 0.0019 1771 GLN 106 HE21 0.0076 0.0045 0.0020 1772 GLN 106 HE22 0.0075 0.0044 0.0020 1773 GLN 106 C 0.0065 0.0051 0.0016 1774 GLN 106 O 0.0064 0.0050 0.0016 1775 ARG 107 N 0.0065 0.0054 0.0015 1776 ARG 107 HN 0.0067 0.0055 0.0014 1777 ARG 107 CA 0.0062 0.0056 0.0014 1778 ARG 107 HA 0.0060 0.0055 0.0014 1779 ARG 107 CB 0.0062 0.0059 0.0012 1780 ARG 107 HB1 0.0064 0.0060 0.0012 1781 ARG 107 HB2 0.0060 0.0060 0.0012 1782 ARG 107 CG 0.0061 0.0058 0.0013 1783 ARG 107 HG1 0.0059 0.0057 0.0013 1784 ARG 107 HG2 0.0063 0.0057 0.0013 1785 ARG 107 CD 0.0061 0.0061 0.0011 1786 ARG 107 HD1 0.0064 0.0062 0.0011 1787 ARG 107 HD2 0.0060 0.0063 0.0010 1788 ARG 107 NE 0.0060 0.0060 0.0011 1789 ARG 107 HE 0.0059 0.0058 0.0012 1790 ARG 107 CZ 0.0060 0.0062 0.0011 1791 ARG 107 NH1 0.0062 0.0065 0.0010 1792 ARG 107 HH11 0.0062 0.0066 0.0009 1793 ARG 107 HH12 0.0062 0.0067 0.0009 1794 ARG 107 NH2 0.0060 0.0061 0.0011 1795 ARG 107 HH21 0.0060 0.0059 0.0012 1796 ARG 107 HH22 0.0061 0.0062 0.0011 1797 ARG 107 C 0.0061 0.0057 0.0013 1798 ARG 107 O 0.0058 0.0056 0.0013 1799 LYS 108 N 0.0079 0.0027 -0.0017 1800 LYS 108 HN 0.0088 0.0025 -0.0019 1801 LYS 108 CA 0.0063 0.0032 -0.0022 1802 LYS 108 HA 0.0059 0.0033 -0.0026 1803 LYS 108 CB 0.0062 0.0032 -0.0038 1804 LYS 108 HB1 0.0068 0.0031 -0.0034 1805 LYS 108 HB2 0.0050 0.0036 -0.0041 1806 LYS 108 CG 0.0071 0.0029 -0.0052 1807 LYS 108 HG1 0.0064 0.0031 -0.0058 1808 LYS 108 HG2 0.0082 0.0026 -0.0047 1809 LYS 108 CD 0.0073 0.0028 -0.0064 1810 LYS 108 HD1 0.0082 0.0025 -0.0072 1811 LYS 108 HD2 0.0077 0.0027 -0.0057 1812 LYS 108 CE 0.0058 0.0033 -0.0074 1813 LYS 108 HE1 0.0061 0.0032 -0.0083 1814 LYS 108 HE2 0.0047 0.0036 -0.0068 1815 LYS 108 NZ 0.0052 0.0034 -0.0085 1816 LYS 108 HZ1 0.0047 0.0036 -0.0078 1817 LYS 108 HZ2 0.0059 0.0032 -0.0094 1818 LYS 108 HZ3 0.0042 0.0037 -0.0091 1819 LYS 108 C 0.0053 0.0036 -0.0009 1820 LYS 108 O 0.0040 0.0040 -0.0008 1821 ALA 109 N 0.0056 0.0035 0.0002 1822 ALA 109 HN 0.0067 0.0032 0.0002 1823 ALA 109 CA 0.0046 0.0039 0.0014 1824 ALA 109 HA 0.0035 0.0042 0.0008 1825 ALA 109 CB 0.0052 0.0037 0.0026 1826 ALA 109 HB1 0.0045 0.0039 0.0036 1827 ALA 109 HB2 0.0051 0.0037 0.0017 1828 ALA 109 HB3 0.0063 0.0033 0.0030 1829 ALA 109 C 0.0040 0.0041 0.0025 1830 ALA 109 O 0.0027 0.0045 0.0028 1831 ILE 110 N 0.0047 0.0040 0.0019 1832 ILE 110 HN 0.0048 0.0038 0.0018 1833 ILE 110 CA 0.0046 0.0040 0.0021 1834 ILE 110 HA 0.0046 0.0041 0.0021 1835 ILE 110 CB 0.0046 0.0038 0.0023 1836 ILE 110 HB 0.0046 0.0037 0.0022 1837 ILE 110 CG2 0.0045 0.0038 0.0026 1838 ILE 110 HG21 0.0044 0.0039 0.0027 1839 ILE 110 HG22 0.0044 0.0039 0.0026 1840 ILE 110 HG23 0.0044 0.0035 0.0026 1841 ILE 110 CG1 0.0046 0.0035 0.0021 1842 ILE 110 HG11 0.0047 0.0035 0.0019 1843 ILE 110 HG12 0.0046 0.0033 0.0022 1844 ILE 110 CD 0.0046 0.0035 0.0022 1845 ILE 110 HD1 0.0047 0.0034 0.0020 1846 ILE 110 HD2 0.0045 0.0034 0.0023 1847 ILE 110 HD3 0.0046 0.0038 0.0022 1848 ILE 110 C 0.0046 0.0043 0.0023 1849 ILE 110 O 0.0045 0.0044 0.0024 1850 HIS 111 N 0.0046 0.0044 0.0023 1851 HIS 111 HN 0.0046 0.0043 0.0021 1852 HIS 111 CA 0.0046 0.0046 0.0024 1853 HIS 111 HA 0.0045 0.0047 0.0026 1854 HIS 111 CB 0.0046 0.0046 0.0023 1855 HIS 111 HB1 0.0045 0.0044 0.0024 1856 HIS 111 HB2 0.0047 0.0047 0.0021 1857 HIS 111 ND1 0.0044 0.0048 0.0028 1858 HIS 111 CG 0.0045 0.0048 0.0025 1859 HIS 111 CE1 0.0044 0.0050 0.0029 1860 HIS 111 HE1 0.0043 0.0051 0.0031 1861 HIS 111 NE2 0.0045 0.0052 0.0027 1862 HIS 111 HE2 0.0045 0.0053 0.0027 1863 HIS 111 CD2 0.0045 0.0051 0.0024 1864 HIS 111 HD2 0.0046 0.0052 0.0022 1865 HIS 111 C 0.0046 0.0049 0.0023 1866 HIS 111 O 0.0045 0.0052 0.0024 1867 GLU 112 N 0.0022 0.0023 -0.0003 1868 GLU 112 HN 0.0026 0.0024 -0.0001 1869 GLU 112 CA 0.0015 0.0021 -0.0002 1870 GLU 112 HA 0.0012 0.0021 -0.0007 1871 GLU 112 CB 0.0018 0.0022 -0.0001 1872 GLU 112 HB1 0.0023 0.0022 0.0003 1873 GLU 112 HB2 0.0014 0.0020 0.0000 1874 GLU 112 CG 0.0021 0.0024 -0.0009 1875 GLU 112 HG1 0.0018 0.0024 -0.0013 1876 GLU 112 HG2 0.0026 0.0025 -0.0010 1877 GLU 112 CD 0.0023 0.0024 -0.0009 1878 GLU 112 OE1 0.0021 0.0023 -0.0005 1879 GLU 112 OE2 0.0027 0.0026 -0.0014 1880 GLU 112 C 0.0012 0.0019 0.0005 1881 GLU 112 O 0.0006 0.0017 0.0005 1882 LEU 113 N 0.0015 0.0019 0.0009 1883 LEU 113 HN 0.0020 0.0020 0.0009 1884 LEU 113 CA 0.0013 0.0017 0.0016 1885 LEU 113 HA 0.0014 0.0017 0.0019 1886 LEU 113 CB 0.0018 0.0018 0.0020 1887 LEU 113 HB1 0.0023 0.0019 0.0020 1888 LEU 113 HB2 0.0019 0.0019 0.0016 1889 LEU 113 CG 0.0016 0.0016 0.0028 1890 LEU 113 HG 0.0010 0.0014 0.0027 1891 LEU 113 CD1 0.0017 0.0015 0.0033 1892 LEU 113 HD11 0.0015 0.0015 0.0032 1893 LEU 113 HD12 0.0023 0.0017 0.0034 1894 LEU 113 HD13 0.0016 0.0014 0.0038 1895 LEU 113 CD2 0.0021 0.0017 0.0029 1896 LEU 113 HD21 0.0020 0.0016 0.0034 1897 LEU 113 HD22 0.0026 0.0018 0.0029 1898 LEU 113 HD23 0.0020 0.0018 0.0024 1899 LEU 113 C 0.0006 0.0015 0.0017 1900 LEU 113 O 0.0002 0.0013 0.0021 1901 ILE 114 N 0.0003 0.0008 0.0020 1902 ILE 114 HN 0.0009 0.0008 0.0014 1903 ILE 114 CA -0.0004 0.0005 0.0019 1904 ILE 114 HA -0.0004 0.0008 0.0026 1905 ILE 114 CB 0.0000 0.0003 0.0010 1906 ILE 114 HB 0.0002 0.0000 0.0002 1907 ILE 114 CG2 -0.0007 -0.0000 0.0008 1908 ILE 114 HG21 -0.0003 -0.0001 0.0002 1909 ILE 114 HG22 -0.0015 -0.0004 0.0007 1910 ILE 114 HG23 -0.0008 0.0002 0.0016 1911 ILE 114 CG1 0.0011 0.0008 0.0012 1912 ILE 114 HG11 0.0008 0.0009 0.0017 1913 ILE 114 HG12 0.0015 0.0011 0.0016 1914 ILE 114 CD 0.0019 0.0007 0.0001 1915 ILE 114 HD1 0.0020 0.0005 -0.0004 1916 ILE 114 HD2 0.0016 0.0004 -0.0003 1917 ILE 114 HD3 0.0027 0.0011 0.0003 1918 ILE 114 C -0.0016 0.0000 0.0018 1919 ILE 114 O -0.0024 -0.0001 0.0023 1920 GLN 115 N -0.0016 -0.0003 0.0011 1921 GLN 115 HN -0.0009 -0.0001 0.0008 1922 GLN 115 CA -0.0026 -0.0007 0.0009 1923 GLN 115 HA -0.0031 -0.0010 0.0007 1924 GLN 115 CB -0.0023 -0.0010 0.0001 1925 GLN 115 HB1 -0.0017 -0.0010 -0.0006 1926 GLN 115 HB2 -0.0020 -0.0007 0.0004 1927 GLN 115 CG -0.0033 -0.0016 -0.0005 1928 GLN 115 HG1 -0.0029 -0.0017 -0.0011 1929 GLN 115 HG2 -0.0040 -0.0017 -0.0001 1930 GLN 115 CD -0.0036 -0.0020 -0.0012 1931 GLN 115 OE1 -0.0029 -0.0019 -0.0015 1932 GLN 115 NE2 -0.0046 -0.0025 -0.0016 1933 GLN 115 HE21 -0.0050 -0.0027 -0.0015 1934 GLN 115 HE22 -0.0048 -0.0028 -0.0019 1935 GLN 115 C -0.0032 -0.0005 0.0019 1936 GLN 115 O -0.0041 -0.0008 0.0023 1937 VAL 116 N -0.0015 -0.0015 0.0013 1938 VAL 116 HN -0.0011 -0.0012 0.0012 1939 VAL 116 CA -0.0018 -0.0014 0.0021 1940 VAL 116 HA -0.0022 -0.0017 0.0022 1941 VAL 116 CB -0.0014 -0.0008 0.0024 1942 VAL 116 HB -0.0010 -0.0005 0.0022 1943 VAL 116 CG1 -0.0016 -0.0006 0.0032 1944 VAL 116 HG11 -0.0017 -0.0005 0.0035 1945 VAL 116 HG12 -0.0020 -0.0009 0.0034 1946 VAL 116 HG13 -0.0012 -0.0002 0.0033 1947 VAL 116 CG2 -0.0012 -0.0008 0.0021 1948 VAL 116 HG21 -0.0009 -0.0004 0.0023 1949 VAL 116 HG22 -0.0016 -0.0010 0.0024 1950 VAL 116 HG23 -0.0011 -0.0010 0.0016 1951 VAL 116 C -0.0020 -0.0014 0.0025 1952 VAL 116 O -0.0024 -0.0016 0.0029 1953 MET 117 N -0.0016 -0.0011 0.0022 1954 MET 117 HN -0.0012 -0.0009 0.0019 1955 MET 117 CA -0.0017 -0.0012 0.0024 1956 MET 117 HA -0.0018 -0.0009 0.0029 1957 MET 117 CB -0.0012 -0.0009 0.0021 1958 MET 117 HB1 -0.0011 -0.0010 0.0015 1959 MET 117 HB2 -0.0013 -0.0009 0.0022 1960 MET 117 CG -0.0007 -0.0002 0.0023 1961 MET 117 HG1 -0.0008 -0.0000 0.0028 1962 MET 117 HG2 -0.0006 -0.0001 0.0023 1963 MET 117 SD -0.0002 0.0000 0.0017 1964 MET 117 CE -0.0004 0.0001 0.0022 1965 MET 117 HE1 -0.0008 -0.0004 0.0021 1966 MET 117 HE2 -0.0005 0.0003 0.0028 1967 MET 117 HE3 -0.0001 0.0003 0.0021 1968 MET 117 C -0.0022 -0.0018 0.0022 1969 MET 117 O -0.0026 -0.0020 0.0026 1970 ALA 118 N -0.0034 -0.0036 0.0030 1971 ALA 118 HN -0.0032 -0.0035 0.0028 1972 ALA 118 CA -0.0040 -0.0037 0.0029 1973 ALA 118 HA -0.0041 -0.0037 0.0032 1974 ALA 118 CB -0.0040 -0.0037 0.0024 1975 ALA 118 HB1 -0.0044 -0.0038 0.0022 1976 ALA 118 HB2 -0.0039 -0.0037 0.0024 1977 ALA 118 HB3 -0.0038 -0.0036 0.0022 1978 ALA 118 C -0.0042 -0.0037 0.0029 1979 ALA 118 O -0.0046 -0.0038 0.0030 1980 GLU 119 N -0.0039 -0.0037 0.0029 1981 GLU 119 HN -0.0035 -0.0036 0.0027 1982 GLU 119 CA -0.0040 -0.0037 0.0029 1983 GLU 119 HA -0.0044 -0.0038 0.0027 1984 GLU 119 CB -0.0037 -0.0036 0.0027 1985 GLU 119 HB1 -0.0033 -0.0036 0.0028 1986 GLU 119 HB2 -0.0037 -0.0036 0.0029 1987 GLU 119 CG -0.0037 -0.0036 0.0022 1988 GLU 119 HG1 -0.0035 -0.0036 0.0020 1989 GLU 119 HG2 -0.0034 -0.0036 0.0021 1990 GLU 119 CD -0.0042 -0.0037 0.0019 1991 GLU 119 OE1 -0.0043 -0.0037 0.0020 1992 GLU 119 OE2 -0.0043 -0.0037 0.0016 1993 GLU 119 C -0.0041 -0.0037 0.0035 1994 GLU 119 O -0.0044 -0.0038 0.0036 1995 LEU 120 N -0.0041 -0.0024 0.0020 1996 LEU 120 HN -0.0039 -0.0021 0.0017 1997 LEU 120 CA -0.0041 -0.0027 0.0029 1998 LEU 120 HA -0.0039 -0.0027 0.0034 1999 LEU 120 CB -0.0038 -0.0026 0.0032 2000 LEU 120 HB1 -0.0040 -0.0026 0.0027 2001 LEU 120 HB2 -0.0039 -0.0029 0.0039 2002 LEU 120 CG -0.0030 -0.0019 0.0033 2003 LEU 120 HG -0.0028 -0.0015 0.0027 2004 LEU 120 CD1 -0.0028 -0.0018 0.0035 2005 LEU 120 HD11 -0.0031 -0.0018 0.0029 2006 LEU 120 HD12 -0.0028 -0.0021 0.0041 2007 LEU 120 HD13 -0.0022 -0.0013 0.0035 2008 LEU 120 CD2 -0.0025 -0.0018 0.0042 2009 LEU 120 HD21 -0.0027 -0.0020 0.0042 2010 LEU 120 HD22 -0.0019 -0.0013 0.0042 2011 LEU 120 HD23 -0.0026 -0.0021 0.0048 2012 LEU 120 C -0.0049 -0.0034 0.0030 2013 LEU 120 O -0.0050 -0.0038 0.0037 2014 SER 121 N -0.0054 -0.0036 0.0023 2015 SER 121 HN -0.0052 -0.0032 0.0018 2016 SER 121 CA -0.0062 -0.0043 0.0022 2017 SER 121 HA -0.0062 -0.0045 0.0028 2018 SER 121 CB -0.0065 -0.0046 0.0024 2019 SER 121 HB1 -0.0071 -0.0050 0.0022 2020 SER 121 HB2 -0.0062 -0.0046 0.0031 2021 SER 121 OG -0.0062 -0.0041 0.0018 2022 SER 121 HG1 -0.0065 -0.0041 0.0012 2023 SER 121 C -0.0066 -0.0043 0.0013 2024 SER 121 O -0.0069 -0.0043 0.0007 2025 PRO 122 N -0.0100 -0.0068 0.0039 2026 PRO 122 CD -0.0039 -0.0062 0.0033 2027 PRO 122 HD1 -0.0011 -0.0075 0.0025 2028 PRO 122 HD2 -0.0032 -0.0087 0.0024 2029 PRO 122 CA -0.0119 -0.0014 0.0058 2030 PRO 122 HA -0.0154 -0.0007 0.0065 2031 PRO 122 CB -0.0064 0.0026 0.0062 2032 PRO 122 HB1 -0.0030 0.0020 0.0056 2033 PRO 122 HB2 -0.0074 0.0072 0.0077 2034 PRO 122 CG -0.0028 0.0003 0.0051 2035 PRO 122 HG1 0.0019 0.0016 0.0048 2036 PRO 122 HG2 -0.0045 0.0020 0.0058 2037 PRO 122 C -0.0141 -0.0019 0.0060 2038 PRO 122 O -0.0113 -0.0046 0.0048 2039 ALA 123 N -0.0190 0.0007 0.0074 2040 ALA 123 HN -0.0217 0.0026 0.0084 2041 ALA 123 CA -0.0216 -0.0009 0.0073 2042 ALA 123 HA -0.0227 -0.0054 0.0062 2043 ALA 123 CB -0.0276 0.0021 0.0091 2044 ALA 123 HB1 -0.0302 0.0019 0.0094 2045 ALA 123 HB2 -0.0268 0.0068 0.0103 2046 ALA 123 HB3 -0.0302 0.0001 0.0088 2047 ALA 123 C -0.0179 0.0003 0.0072 2048 ALA 123 O -0.0177 -0.0033 0.0061 2049 ALA 124 N -0.0137 0.0092 0.0146 2050 ALA 124 HN -0.0154 0.0132 0.0178 2051 ALA 124 CA -0.0058 0.0123 0.0156 2052 ALA 124 HA -0.0081 0.0111 0.0151 2053 ALA 124 CB -0.0031 0.0211 0.0214 2054 ALA 124 HB1 0.0004 0.0218 0.0214 2055 ALA 124 HB2 0.0010 0.0238 0.0227 2056 ALA 124 HB3 -0.0099 0.0241 0.0247 2057 ALA 124 C 0.0034 0.0079 0.0109 2058 ALA 124 O 0.0106 0.0091 0.0106 2059 LYS 125 N 0.0035 0.0031 0.0074 2060 LYS 125 HN -0.0025 0.0027 0.0081 2061 LYS 125 CA 0.0098 -0.0026 0.0023 2062 LYS 125 HA 0.0169 -0.0004 0.0027 2063 LYS 125 CB 0.0100 -0.0029 0.0021 2064 LYS 125 HB1 0.0027 -0.0018 0.0040 2065 LYS 125 HB2 0.0109 -0.0088 -0.0024 2066 LYS 125 CG 0.0184 0.0027 0.0047 2067 LYS 125 HG1 0.0176 0.0030 0.0051 2068 LYS 125 HG2 0.0252 0.0002 0.0017 2069 LYS 125 CD 0.0194 0.0115 0.0109 2070 LYS 125 HD1 0.0263 0.0141 0.0116 2071 LYS 125 HD2 0.0206 0.0121 0.0111 2072 LYS 125 CE 0.0106 0.0159 0.0155 2073 LYS 125 HE1 0.0041 0.0130 0.0145 2074 LYS 125 HE2 0.0095 0.0155 0.0154 2075 LYS 125 NZ 0.0122 0.0244 0.0213 2076 LYS 125 HZ1 0.0061 0.0275 0.0245 2077 LYS 125 HZ2 0.0171 0.0275 0.0227 2078 LYS 125 HZ3 0.0154 0.0251 0.0213 2079 LYS 125 C 0.0070 -0.0106 -0.0030 2080 LYS 125 O 0.0113 -0.0162 -0.0078 2081 THR 126 N -0.0058 -0.0120 -0.0041 2082 THR 126 HN -0.0088 -0.0089 0.0002 2083 THR 126 CA -0.0078 -0.0175 -0.0077 2084 THR 126 HA -0.0060 -0.0215 -0.0121 2085 THR 126 CB -0.0164 -0.0204 -0.0054 2086 THR 126 HB -0.0174 -0.0245 -0.0083 2087 THR 126 OG1 -0.0194 -0.0158 0.0004 2088 THR 126 HG1 -0.0186 -0.0127 0.0025 2089 THR 126 CG2 -0.0214 -0.0239 -0.0055 2090 THR 126 HG21 -0.0207 -0.0201 -0.0026 2091 THR 126 HG22 -0.0274 -0.0255 -0.0035 2092 THR 126 HG23 -0.0199 -0.0283 -0.0101 2093 THR 126 C -0.0038 -0.0157 -0.0085 2094 THR 126 O -0.0024 -0.0102 -0.0045 2095 GLY 127 N -0.0021 -0.0204 -0.0133 2096 GLY 127 HN -0.0029 -0.0249 -0.0168 2097 GLY 127 CA 0.0029 -0.0186 -0.0146 2098 GLY 127 HA1 0.0072 -0.0140 -0.0131 2099 GLY 127 HA2 0.0054 -0.0224 -0.0193 2100 GLY 127 C -0.0007 -0.0182 -0.0123 2101 GLY 127 O 0.0026 -0.0181 -0.0141 2102 LYS 128 N -0.0288 -0.0114 -0.0071 2103 LYS 128 HN -0.0304 -0.0153 -0.0062 2104 LYS 128 CA -0.0216 -0.0104 -0.0059 2105 LYS 128 HA -0.0208 -0.0052 -0.0074 2106 LYS 128 CB -0.0185 -0.0128 -0.0044 2107 LYS 128 HB1 -0.0179 -0.0180 -0.0025 2108 LYS 128 HB2 -0.0136 -0.0104 -0.0041 2109 LYS 128 CG -0.0228 -0.0111 -0.0059 2110 LYS 128 HG1 -0.0234 -0.0059 -0.0078 2111 LYS 128 HG2 -0.0279 -0.0135 -0.0062 2112 LYS 128 CD -0.0207 -0.0136 -0.0046 2113 LYS 128 HD1 -0.0153 -0.0123 -0.0039 2114 LYS 128 HD2 -0.0237 -0.0116 -0.0060 2115 LYS 128 CE -0.0224 -0.0207 -0.0026 2116 LYS 128 HE1 -0.0275 -0.0221 -0.0033 2117 LYS 128 HE2 -0.0211 -0.0232 -0.0015 2118 LYS 128 NZ -0.0185 -0.0234 -0.0008 2119 LYS 128 HZ1 -0.0205 -0.0277 0.0001 2120 LYS 128 HZ2 -0.0137 -0.0243 0.0005 2121 LYS 128 HZ3 -0.0176 -0.0210 -0.0015 2122 LYS 128 C -0.0184 -0.0129 -0.0043 2123 LYS 128 O -0.0194 -0.0186 -0.0027 2124 ARG 129 N -0.0146 -0.0088 -0.0049 2125 ARG 129 HN -0.0139 -0.0041 -0.0063 2126 ARG 129 CA -0.0113 -0.0107 -0.0035 2127 ARG 129 HA -0.0132 -0.0155 -0.0023 2128 ARG 129 CB -0.0127 -0.0061 -0.0053 2129 ARG 129 HB1 -0.0109 -0.0010 -0.0066 2130 ARG 129 HB2 -0.0099 -0.0075 -0.0043 2131 ARG 129 CG -0.0199 -0.0064 -0.0069 2132 ARG 129 HG1 -0.0210 -0.0105 -0.0057 2133 ARG 129 HG2 -0.0231 -0.0073 -0.0072 2134 ARG 129 CD -0.0222 -0.0002 -0.0094 2135 ARG 129 HD1 -0.0274 -0.0015 -0.0101 2136 ARG 129 HD2 -0.0218 0.0045 -0.0109 2137 ARG 129 NE -0.0180 0.0009 -0.0089 2138 ARG 129 HE -0.0153 -0.0027 -0.0071 2139 ARG 129 CZ -0.0196 0.0052 -0.0106 2140 ARG 129 NH1 -0.0240 0.0097 -0.0131 2141 ARG 129 HH11 -0.0262 0.0107 -0.0139 2142 ARG 129 HH12 -0.0233 0.0127 -0.0139 2143 ARG 129 NH2 -0.0167 0.0047 -0.0098 2144 ARG 129 HH21 -0.0137 0.0012 -0.0080 2145 ARG 129 HH22 -0.0183 0.0066 -0.0108 2146 ARG 129 C -0.0039 -0.0102 -0.0021 2147 ARG 129 O -0.0001 -0.0133 -0.0002 2148 LYS 130 N 0.0506 0.0188 -0.0111 2149 LYS 130 HN 0.0587 0.0098 -0.0087 2150 LYS 130 CA 0.0341 0.0178 -0.0060 2151 LYS 130 HA 0.0279 0.0291 -0.0102 2152 LYS 130 CB 0.0237 0.0079 0.0020 2153 LYS 130 HB1 0.0300 -0.0037 0.0062 2154 LYS 130 HB2 0.0115 0.0079 0.0053 2155 LYS 130 CG 0.0218 0.0129 -0.0001 2156 LYS 130 HG1 0.0166 0.0249 -0.0049 2157 LYS 130 HG2 0.0341 0.0121 -0.0031 2158 LYS 130 CD 0.0119 0.0028 0.0078 2159 LYS 130 HD1 0.0193 -0.0079 0.0113 2160 LYS 130 HD2 -0.0008 0.0037 0.0109 2161 LYS 130 CE 0.0114 0.0043 0.0072 2162 LYS 130 HE1 0.0038 0.0149 0.0038 2163 LYS 130 HE2 0.0237 0.0028 0.0046 2164 LYS 130 NZ 0.0022 -0.0072 0.0157 2165 LYS 130 HZ1 0.0000 -0.0038 0.0145 2166 LYS 130 HZ2 0.0112 -0.0165 0.0180 2167 LYS 130 HZ3 -0.0088 -0.0087 0.0195 2168 LYS 130 C 0.0354 0.0099 -0.0023 2169 LYS 130 O 0.0491 0.0024 -0.0022 2170 ARG 131 N 0.0226 0.0101 0.0011 2171 ARG 131 HN 0.0128 0.0170 0.0003 2172 ARG 131 CA 0.0237 0.0014 0.0053 2173 ARG 131 HA 0.0359 0.0023 0.0015 2174 ARG 131 CB 0.0102 0.0069 0.0062 2175 ARG 131 HB1 -0.0021 0.0066 0.0097 2176 ARG 131 HB2 0.0113 0.0005 0.0092 2177 ARG 131 CG 0.0112 0.0230 -0.0024 2178 ARG 131 HG1 0.0241 0.0246 -0.0068 2179 ARG 131 HG2 0.0053 0.0320 -0.0055 2180 ARG 131 CD 0.0030 0.0246 -0.0010 2181 ARG 131 HD1 0.0052 0.0141 0.0038 2182 ARG 131 HD2 0.0067 0.0331 -0.0064 2183 ARG 131 NE -0.0160 0.0281 0.0024 2184 ARG 131 HE -0.0200 0.0288 0.0032 2185 ARG 131 CZ -0.0267 0.0303 0.0042 2186 ARG 131 NH1 -0.0217 0.0281 0.0040 2187 ARG 131 HH11 -0.0101 0.0241 0.0029 2188 ARG 131 HH12 -0.0293 0.0305 0.0048 2189 ARG 131 NH2 -0.0423 0.0336 0.0068 2190 ARG 131 HH21 -0.0473 0.0366 0.0066 2191 ARG 131 HH22 -0.0485 0.0355 0.0075 2192 ARG 131 C 0.0219 -0.0150 0.0143 2193 ARG 131 O 0.0163 -0.0196 0.0182 2194 SER 132 N 0.0176 -0.0091 0.0006 2195 SER 132 HN 0.0320 0.0380 0.0040 2196 SER 132 CA 0.0129 -0.0282 0.0015 2197 SER 132 HA 0.0098 -0.0780 0.0213 2198 SER 132 CB 0.0397 0.0193 0.0288 2199 SER 132 HB1 0.0338 0.0619 -0.0049 2200 SER 132 HB2 0.0347 -0.0068 0.0328 2201 SER 132 OG 0.0723 0.0334 0.0852 2202 SER 132 HG1 0.0806 0.0774 0.0783 2203 SER 132 C -0.0208 -0.0304 -0.0633 2204 SER 132 OT1 -0.0380 -0.0156 -0.1047 2205 SER 132 OT2 -0.0282 -0.0467 -0.0693 2206 MET 0 N -0.0032 0.0015 0.0010 2207 MET 0 H1 -0.0021 0.0002 0.0020 2208 MET 0 H2 -0.0020 0.0017 0.0002 2209 MET 0 H3 -0.0031 0.0023 0.0000 2210 MET 0 CA -0.0058 0.0018 0.0019 2211 MET 0 HA -0.0064 0.0031 0.0006 2212 MET 0 CB -0.0059 0.0002 0.0038 2213 MET 0 HB1 -0.0040 -0.0002 0.0034 2214 MET 0 HB2 -0.0058 -0.0010 0.0052 2215 MET 0 CG -0.0081 0.0007 0.0043 2216 MET 0 HG1 -0.0083 0.0020 0.0028 2217 MET 0 HG2 -0.0075 -0.0003 0.0052 2218 MET 0 SD -0.0111 0.0008 0.0055 2219 MET 0 CE -0.0114 -0.0013 0.0083 2220 MET 0 HE1 -0.0124 -0.0014 0.0088 2221 MET 0 HE2 -0.0095 -0.0023 0.0085 2222 MET 0 HE3 -0.0120 -0.0019 0.0093 2223 MET 0 C -0.0076 0.0020 0.0025 2224 MET 0 O -0.0096 0.0033 0.0018 2225 GLN 1 N -0.0072 0.0007 0.0038 2226 GLN 1 HN -0.0054 -0.0001 0.0039 2227 GLN 1 CA -0.0087 0.0007 0.0046 2228 GLN 1 HA -0.0105 0.0017 0.0043 2229 GLN 1 CB -0.0090 -0.0011 0.0068 2230 GLN 1 HB1 -0.0071 -0.0020 0.0071 2231 GLN 1 HB2 -0.0101 -0.0010 0.0073 2232 GLN 1 CG -0.0104 -0.0018 0.0083 2233 GLN 1 HG1 -0.0124 -0.0010 0.0084 2234 GLN 1 HG2 -0.0093 -0.0017 0.0077 2235 GLN 1 CD -0.0099 -0.0038 0.0105 2236 GLN 1 OE1 -0.0082 -0.0047 0.0107 2237 GLN 1 NE2 -0.0115 -0.0044 0.0120 2238 GLN 1 HE21 -0.0131 -0.0036 0.0118 2239 GLN 1 HE22 -0.0113 -0.0057 0.0135 2240 GLN 1 C -0.0078 0.0015 0.0032 2241 GLN 1 O -0.0057 0.0015 0.0022 2242 ASP 2 N -0.0070 0.0007 0.0025 2243 ASP 2 HN -0.0079 0.0006 0.0028 2244 ASP 2 CA -0.0066 0.0010 0.0019 2245 ASP 2 HA -0.0064 0.0015 0.0011 2246 ASP 2 CB -0.0076 0.0011 0.0020 2247 ASP 2 HB1 -0.0083 0.0015 0.0016 2248 ASP 2 HB2 -0.0079 0.0006 0.0028 2249 ASP 2 CG -0.0073 0.0014 0.0014 2250 ASP 2 OD1 -0.0071 0.0020 0.0005 2251 ASP 2 OD2 -0.0073 0.0011 0.0019 2252 ASP 2 C -0.0053 0.0005 0.0022 2253 ASP 2 O -0.0045 0.0008 0.0016 2254 PRO 3 N -0.0052 -0.0001 0.0032 2255 PRO 3 CD -0.0062 -0.0005 0.0041 2256 PRO 3 HD1 -0.0065 -0.0006 0.0043 2257 PRO 3 HD2 -0.0070 -0.0003 0.0040 2258 PRO 3 CA -0.0040 -0.0006 0.0036 2259 PRO 3 HA -0.0040 -0.0004 0.0034 2260 PRO 3 CB -0.0042 -0.0013 0.0048 2261 PRO 3 HB1 -0.0040 -0.0016 0.0051 2262 PRO 3 HB2 -0.0038 -0.0016 0.0052 2263 PRO 3 CG -0.0056 -0.0012 0.0050 2264 PRO 3 HG1 -0.0061 -0.0016 0.0058 2265 PRO 3 HG2 -0.0056 -0.0011 0.0049 2266 PRO 3 C -0.0028 -0.0005 0.0032 2267 PRO 3 O -0.0019 -0.0006 0.0031 2268 TYR 4 N -0.0019 -0.0005 0.0032 2269 TYR 4 HN -0.0023 -0.0004 0.0033 2270 TYR 4 CA -0.0012 -0.0005 0.0028 2271 TYR 4 HA -0.0007 -0.0009 0.0031 2272 TYR 4 CB -0.0013 -0.0004 0.0027 2273 TYR 4 HB1 -0.0018 0.0000 0.0025 2274 TYR 4 HB2 -0.0008 -0.0003 0.0023 2275 TYR 4 CG -0.0015 -0.0007 0.0033 2276 TYR 4 CD1 -0.0022 -0.0006 0.0034 2277 TYR 4 HD1 -0.0025 -0.0002 0.0031 2278 TYR 4 CE1 -0.0023 -0.0009 0.0039 2279 TYR 4 HE1 -0.0029 -0.0008 0.0040 2280 TYR 4 CZ -0.0018 -0.0014 0.0043 2281 TYR 4 OH -0.0020 -0.0017 0.0048 2282 TYR 4 HH -0.0025 -0.0015 0.0048 2283 TYR 4 CD2 -0.0009 -0.0012 0.0036 2284 TYR 4 HD2 -0.0004 -0.0013 0.0034 2285 TYR 4 CE2 -0.0011 -0.0016 0.0042 2286 TYR 4 HE2 -0.0007 -0.0019 0.0044 2287 TYR 4 C -0.0010 -0.0001 0.0022 2288 TYR 4 O -0.0003 -0.0002 0.0020 2289 VAL 5 N -0.0015 0.0004 0.0018 2290 VAL 5 HN -0.0020 0.0004 0.0020 2291 VAL 5 CA -0.0014 0.0008 0.0012 2292 VAL 5 HA -0.0010 0.0009 0.0009 2293 VAL 5 CB -0.0022 0.0012 0.0010 2294 VAL 5 HB -0.0026 0.0012 0.0014 2295 VAL 5 CG1 -0.0021 0.0017 0.0004 2296 VAL 5 HG11 -0.0016 0.0018 0.0000 2297 VAL 5 HG12 -0.0025 0.0021 0.0002 2298 VAL 5 HG13 -0.0020 0.0016 0.0005 2299 VAL 5 CG2 -0.0025 0.0014 0.0010 2300 VAL 5 HG21 -0.0021 0.0016 0.0005 2301 VAL 5 HG22 -0.0026 0.0012 0.0014 2302 VAL 5 HG23 -0.0030 0.0017 0.0009 2303 VAL 5 C -0.0012 0.0006 0.0014 2304 VAL 5 O -0.0007 0.0007 0.0010 2305 LYS 6 N -0.0013 0.0013 0.0018 2306 LYS 6 HN -0.0013 0.0009 0.0017 2307 LYS 6 CA -0.0018 0.0013 0.0018 2308 LYS 6 HA -0.0021 0.0019 0.0018 2309 LYS 6 CB -0.0026 0.0008 0.0018 2310 LYS 6 HB1 -0.0029 0.0013 0.0018 2311 LYS 6 HB2 -0.0024 0.0003 0.0018 2312 LYS 6 CG -0.0032 0.0006 0.0018 2313 LYS 6 HG1 -0.0030 0.0001 0.0018 2314 LYS 6 HG2 -0.0033 0.0011 0.0018 2315 LYS 6 CD -0.0040 0.0003 0.0018 2316 LYS 6 HD1 -0.0044 0.0008 0.0018 2317 LYS 6 HD2 -0.0039 -0.0001 0.0018 2318 LYS 6 CE -0.0046 -0.0001 0.0018 2319 LYS 6 HE1 -0.0052 -0.0002 0.0018 2320 LYS 6 HE2 -0.0043 -0.0007 0.0018 2321 LYS 6 NZ -0.0047 0.0004 0.0018 2322 LYS 6 HZ1 -0.0049 0.0009 0.0018 2323 LYS 6 HZ2 -0.0051 0.0001 0.0018 2324 LYS 6 HZ3 -0.0041 0.0005 0.0018 2325 LYS 6 C -0.0015 0.0009 0.0018 2326 LYS 6 O -0.0017 0.0013 0.0018 2327 GLU 7 N -0.0010 0.0003 0.0017 2328 GLU 7 HN -0.0009 -0.0000 0.0017 2329 GLU 7 CA -0.0006 -0.0000 0.0017 2330 GLU 7 HA -0.0010 -0.0001 0.0017 2331 GLU 7 CB -0.0002 -0.0009 0.0017 2332 GLU 7 HB1 0.0001 -0.0008 0.0017 2333 GLU 7 HB2 0.0002 -0.0010 0.0017 2334 GLU 7 CG -0.0009 -0.0015 0.0017 2335 GLU 7 HG1 -0.0011 -0.0015 0.0017 2336 GLU 7 HG2 -0.0006 -0.0022 0.0017 2337 GLU 7 CD -0.0016 -0.0016 0.0017 2338 GLU 7 OE1 -0.0015 -0.0014 0.0017 2339 GLU 7 OE2 -0.0023 -0.0018 0.0017 2340 GLU 7 C 0.0001 0.0005 0.0017 2341 GLU 7 O 0.0003 0.0006 0.0017 2342 ALA 8 N 0.0008 0.0009 0.0019 2343 ALA 8 HN 0.0006 0.0007 0.0019 2344 ALA 8 CA 0.0011 0.0012 0.0020 2345 ALA 8 HA 0.0013 0.0012 0.0021 2346 ALA 8 CB 0.0012 0.0012 0.0020 2347 ALA 8 HB1 0.0013 0.0008 0.0021 2348 ALA 8 HB2 0.0010 0.0013 0.0019 2349 ALA 8 HB3 0.0015 0.0014 0.0021 2350 ALA 8 C 0.0009 0.0017 0.0018 2351 ALA 8 O 0.0012 0.0020 0.0019 2352 GLU 9 N 0.0005 0.0018 0.0016 2353 GLU 9 HN 0.0003 0.0016 0.0016 2354 GLU 9 CA 0.0003 0.0022 0.0015 2355 GLU 9 HA 0.0005 0.0025 0.0015 2356 GLU 9 CB -0.0001 0.0022 0.0013 2357 GLU 9 HB1 -0.0002 0.0019 0.0013 2358 GLU 9 HB2 -0.0003 0.0024 0.0012 2359 GLU 9 CG -0.0001 0.0024 0.0013 2360 GLU 9 HG1 0.0001 0.0022 0.0014 2361 GLU 9 HG2 -0.0004 0.0024 0.0012 2362 GLU 9 CD -0.0000 0.0029 0.0012 2363 GLU 9 OE1 -0.0002 0.0031 0.0011 2364 GLU 9 OE2 0.0003 0.0031 0.0013 2365 GLU 9 C 0.0003 0.0022 0.0015 2366 GLU 9 O 0.0003 0.0026 0.0014 2367 ASN 10 N -0.0005 0.0025 0.0016 2368 ASN 10 HN -0.0002 0.0021 0.0015 2369 ASN 10 CA -0.0010 0.0024 0.0014 2370 ASN 10 HA -0.0015 0.0027 0.0014 2371 ASN 10 CB -0.0011 0.0015 0.0009 2372 ASN 10 HB1 -0.0011 0.0013 0.0009 2373 ASN 10 HB2 -0.0007 0.0011 0.0009 2374 ASN 10 CG -0.0020 0.0014 0.0007 2375 ASN 10 OD1 -0.0025 0.0011 0.0004 2376 ASN 10 ND2 -0.0021 0.0017 0.0007 2377 ASN 10 HD21 -0.0026 0.0017 0.0006 2378 ASN 10 HD22 -0.0018 0.0019 0.0009 2379 ASN 10 C -0.0007 0.0026 0.0016 2380 ASN 10 O -0.0010 0.0029 0.0016 2381 LEU 11 N 0.0001 0.0023 0.0017 2382 LEU 11 HN 0.0003 0.0019 0.0016 2383 LEU 11 CA 0.0005 0.0026 0.0019 2384 LEU 11 HA 0.0002 0.0025 0.0018 2385 LEU 11 CB 0.0013 0.0022 0.0020 2386 LEU 11 HB1 0.0016 0.0023 0.0021 2387 LEU 11 HB2 0.0017 0.0025 0.0022 2388 LEU 11 CG 0.0015 0.0014 0.0017 2389 LEU 11 HG 0.0011 0.0011 0.0014 2390 LEU 11 CD1 0.0023 0.0012 0.0018 2391 LEU 11 HD11 0.0024 0.0012 0.0018 2392 LEU 11 HD12 0.0027 0.0015 0.0021 2393 LEU 11 HD13 0.0025 0.0006 0.0016 2394 LEU 11 CD2 0.0014 0.0012 0.0016 2395 LEU 11 HD21 0.0015 0.0006 0.0013 2396 LEU 11 HD22 0.0019 0.0015 0.0018 2397 LEU 11 HD23 0.0008 0.0014 0.0015 2398 LEU 11 C 0.0006 0.0034 0.0023 2399 LEU 11 O 0.0005 0.0038 0.0025 2400 LYS 12 N 0.0027 0.0029 0.0026 2401 LYS 12 HN 0.0027 0.0025 0.0025 2402 LYS 12 CA 0.0028 0.0037 0.0028 2403 LYS 12 HA 0.0033 0.0039 0.0031 2404 LYS 12 CB 0.0028 0.0037 0.0028 2405 LYS 12 HB1 0.0032 0.0032 0.0029 2406 LYS 12 HB2 0.0023 0.0036 0.0025 2407 LYS 12 CG 0.0031 0.0044 0.0031 2408 LYS 12 HG1 0.0029 0.0049 0.0030 2409 LYS 12 HG2 0.0036 0.0043 0.0034 2410 LYS 12 CD 0.0029 0.0044 0.0030 2411 LYS 12 HD1 0.0024 0.0042 0.0026 2412 LYS 12 HD2 0.0029 0.0050 0.0030 2413 LYS 12 CE 0.0034 0.0039 0.0031 2414 LYS 12 HE1 0.0039 0.0041 0.0035 2415 LYS 12 HE2 0.0034 0.0033 0.0031 2416 LYS 12 NZ 0.0031 0.0040 0.0030 2417 LYS 12 HZ1 0.0030 0.0046 0.0030 2418 LYS 12 HZ2 0.0034 0.0038 0.0032 2419 LYS 12 HZ3 0.0027 0.0037 0.0027 2420 LYS 12 C 0.0023 0.0043 0.0025 2421 LYS 12 O 0.0024 0.0049 0.0027 2422 LYS 13 N 0.0016 0.0041 0.0022 2423 LYS 13 HN 0.0016 0.0036 0.0020 2424 LYS 13 CA 0.0011 0.0045 0.0019 2425 LYS 13 HA 0.0012 0.0051 0.0020 2426 LYS 13 CB 0.0005 0.0042 0.0015 2427 LYS 13 HB1 0.0005 0.0036 0.0014 2428 LYS 13 HB2 0.0001 0.0045 0.0013 2429 LYS 13 CG 0.0002 0.0042 0.0014 2430 LYS 13 HG1 0.0000 0.0048 0.0013 2431 LYS 13 HG2 0.0007 0.0041 0.0016 2432 LYS 13 CD -0.0002 0.0037 0.0010 2433 LYS 13 HD1 -0.0001 0.0031 0.0010 2434 LYS 13 HD2 -0.0007 0.0039 0.0008 2435 LYS 13 CE -0.0002 0.0034 0.0010 2436 LYS 13 HE1 0.0002 0.0030 0.0012 2437 LYS 13 HE2 -0.0006 0.0030 0.0007 2438 LYS 13 NZ -0.0002 0.0040 0.0011 2439 LYS 13 HZ1 -0.0006 0.0044 0.0009 2440 LYS 13 HZ2 0.0002 0.0042 0.0014 2441 LYS 13 HZ3 -0.0002 0.0038 0.0010 2442 LYS 13 C 0.0012 0.0046 0.0020 2443 LYS 13 O 0.0011 0.0052 0.0020 2444 TYR 14 N -0.0026 0.0061 0.0019 2445 TYR 14 HN -0.0016 0.0053 0.0015 2446 TYR 14 CA -0.0032 0.0058 0.0013 2447 TYR 14 HA -0.0045 0.0061 0.0010 2448 TYR 14 CB -0.0024 0.0044 0.0001 2449 TYR 14 HB1 -0.0026 0.0037 -0.0007 2450 TYR 14 HB2 -0.0010 0.0042 0.0005 2451 TYR 14 CG -0.0033 0.0041 -0.0007 2452 TYR 14 CD1 -0.0050 0.0042 -0.0013 2453 TYR 14 HD1 -0.0057 0.0044 -0.0015 2454 TYR 14 CE1 -0.0059 0.0040 -0.0020 2455 TYR 14 HE1 -0.0073 0.0042 -0.0024 2456 TYR 14 CZ -0.0050 0.0037 -0.0020 2457 TYR 14 OH -0.0058 0.0033 -0.0027 2458 TYR 14 HH -0.0049 0.0030 -0.0026 2459 TYR 14 CD2 -0.0025 0.0038 -0.0006 2460 TYR 14 HD2 -0.0012 0.0037 -0.0000 2461 TYR 14 CE2 -0.0034 0.0036 -0.0012 2462 TYR 14 HE2 -0.0027 0.0034 -0.0011 2463 TYR 14 C -0.0028 0.0066 0.0024 2464 TYR 14 O -0.0038 0.0070 0.0024 2465 PHE 15 N -0.0013 0.0069 0.0034 2466 PHE 15 HN -0.0006 0.0065 0.0034 2467 PHE 15 CA -0.0007 0.0075 0.0044 2468 PHE 15 HA -0.0012 0.0074 0.0040 2469 PHE 15 CB 0.0013 0.0070 0.0047 2470 PHE 15 HB1 0.0017 0.0067 0.0046 2471 PHE 15 HB2 0.0019 0.0076 0.0058 2472 PHE 15 CG 0.0019 0.0059 0.0039 2473 PHE 15 CD1 0.0024 0.0062 0.0044 2474 PHE 15 HD1 0.0020 0.0072 0.0053 2475 PHE 15 CE1 0.0030 0.0053 0.0037 2476 PHE 15 HE1 0.0034 0.0055 0.0041 2477 PHE 15 CZ 0.0031 0.0040 0.0023 2478 PHE 15 HZ 0.0035 0.0033 0.0017 2479 PHE 15 CD2 0.0020 0.0047 0.0026 2480 PHE 15 HD2 0.0018 0.0045 0.0022 2481 PHE 15 CE2 0.0026 0.0037 0.0017 2482 PHE 15 HE2 0.0028 0.0028 0.0007 2483 PHE 15 C -0.0012 0.0088 0.0056 2484 PHE 15 O -0.0009 0.0095 0.0065 2485 ASN 16 N 0.0025 0.0062 0.0009 2486 ASN 16 HN 0.0030 0.0063 0.0003 2487 ASN 16 CA 0.0024 0.0060 0.0019 2488 ASN 16 HA 0.0029 0.0059 0.0018 2489 ASN 16 CB 0.0012 0.0062 0.0021 2490 ASN 16 HB1 0.0010 0.0065 0.0013 2491 ASN 16 HB2 0.0007 0.0063 0.0023 2492 ASN 16 CG 0.0010 0.0061 0.0029 2493 ASN 16 OD1 0.0008 0.0059 0.0038 2494 ASN 16 ND2 0.0011 0.0062 0.0024 2495 ASN 16 HD21 0.0013 0.0063 0.0016 2496 ASN 16 HD22 0.0012 0.0061 0.0029 2497 ASN 16 C 0.0029 0.0057 0.0029 2498 ASN 16 O 0.0025 0.0056 0.0038 2499 ALA 17 N 0.0039 0.0055 0.0026 2500 ALA 17 HN 0.0042 0.0056 0.0019 2501 ALA 17 CA 0.0044 0.0052 0.0034 2502 ALA 17 HA 0.0037 0.0052 0.0040 2503 ALA 17 CB 0.0049 0.0053 0.0028 2504 ALA 17 HB1 0.0044 0.0055 0.0023 2505 ALA 17 HB2 0.0056 0.0052 0.0022 2506 ALA 17 HB3 0.0053 0.0050 0.0034 2507 ALA 17 C 0.0052 0.0049 0.0041 2508 ALA 17 O 0.0056 0.0046 0.0049 2509 GLY 18 N 0.0104 0.0028 0.0082 2510 GLY 18 HN 0.0103 0.0037 0.0074 2511 GLY 18 CA 0.0140 0.0014 0.0102 2512 GLY 18 HA1 0.0148 0.0025 0.0096 2513 GLY 18 HA2 0.0160 0.0021 0.0102 2514 GLY 18 C 0.0136 -0.0020 0.0127 2515 GLY 18 O 0.0160 -0.0032 0.0142 2516 HIS 19 N 0.0103 -0.0037 0.0131 2517 HIS 19 HN 0.0080 -0.0029 0.0119 2518 HIS 19 CA 0.0094 -0.0071 0.0155 2519 HIS 19 HA 0.0118 -0.0082 0.0169 2520 HIS 19 CB 0.0061 -0.0086 0.0157 2521 HIS 19 HB1 0.0034 -0.0077 0.0144 2522 HIS 19 HB2 0.0054 -0.0111 0.0175 2523 HIS 19 ND1 0.0093 -0.0087 0.0167 2524 HIS 19 CG 0.0067 -0.0075 0.0151 2525 HIS 19 CE1 0.0091 -0.0074 0.0156 2526 HIS 19 HE1 0.0110 -0.0075 0.0163 2527 HIS 19 NE2 0.0064 -0.0056 0.0135 2528 HIS 19 HE2 0.0059 -0.0042 0.0123 2529 HIS 19 CD2 0.0051 -0.0055 0.0131 2530 HIS 19 HD2 0.0031 -0.0040 0.0114 2531 HIS 19 C 0.0084 -0.0082 0.0161 2532 HIS 19 O 0.0079 -0.0065 0.0146 2533 SER 20 N 0.0176 -0.0106 0.0391 2534 SER 20 HN 0.0171 -0.0145 0.0462 2535 SER 20 CA 0.0199 -0.0074 0.0388 2536 SER 20 HA 0.0240 -0.0004 0.0351 2537 SER 20 CB 0.0237 -0.0075 0.0501 2538 SER 20 HB1 0.0255 -0.0059 0.0517 2539 SER 20 HB2 0.0286 -0.0024 0.0532 2540 SER 20 OG 0.0195 -0.0159 0.0565 2541 SER 20 HG1 0.0227 -0.0150 0.0636 2542 SER 20 C 0.0138 -0.0130 0.0335 2543 SER 20 O 0.0142 -0.0124 0.0332 2544 ASP 21 N 0.0073 -0.0192 0.0282 2545 ASP 21 HN 0.0068 -0.0199 0.0284 2546 ASP 21 CA 0.0018 -0.0230 0.0205 2547 ASP 21 HA 0.0026 -0.0225 0.0217 2548 ASP 21 CB -0.0056 -0.0335 0.0222 2549 ASP 21 HB1 -0.0100 -0.0370 0.0172 2550 ASP 21 HB2 -0.0058 -0.0374 0.0303 2551 ASP 21 CG -0.0080 -0.0357 0.0200 2552 ASP 21 OD1 -0.0040 -0.0320 0.0237 2553 ASP 21 OD2 -0.0142 -0.0410 0.0137 2554 ASP 21 C 0.0022 -0.0175 0.0095 2555 ASP 21 O -0.0020 -0.0196 0.0020 2556 VAL 22 N 0.0073 -0.0047 0.0030 2557 VAL 22 HN 0.0081 -0.0043 0.0067 2558 VAL 22 CA 0.0068 -0.0017 -0.0004 2559 VAL 22 HA 0.0059 -0.0045 -0.0031 2560 VAL 22 CB 0.0077 0.0008 0.0024 2561 VAL 22 HB 0.0082 -0.0019 0.0057 2562 VAL 22 CG1 0.0087 0.0064 0.0042 2563 VAL 22 HG11 0.0095 0.0078 0.0069 2564 VAL 22 HG12 0.0092 0.0072 0.0059 2565 VAL 22 HG13 0.0081 0.0086 0.0005 2566 VAL 22 CG2 0.0068 0.0008 -0.0015 2567 VAL 22 HG21 0.0062 -0.0033 -0.0027 2568 VAL 22 HG22 0.0074 0.0022 0.0005 2569 VAL 22 HG23 0.0064 0.0036 -0.0047 2570 VAL 22 C 0.0064 0.0017 -0.0039 2571 VAL 22 O 0.0054 0.0017 -0.0086 2572 ALA 23 N 0.0071 0.0040 -0.0019 2573 ALA 23 HN 0.0079 0.0035 0.0020 2574 ALA 23 CA 0.0069 0.0075 -0.0046 2575 ALA 23 HA 0.0070 0.0112 -0.0058 2576 ALA 23 CB 0.0080 0.0089 -0.0004 2577 ALA 23 HB1 0.0088 0.0116 0.0024 2578 ALA 23 HB2 0.0080 0.0053 0.0017 2579 ALA 23 HB3 0.0077 0.0110 -0.0025 2580 ALA 23 C 0.0056 0.0053 -0.0092 2581 ALA 23 O 0.0052 0.0086 -0.0126 2582 ASP 24 N 0.0062 0.0009 -0.0127 2583 ASP 24 HN 0.0084 -0.0025 -0.0083 2584 ASP 24 CA 0.0104 -0.0020 -0.0220 2585 ASP 24 HA 0.0080 0.0019 -0.0277 2586 ASP 24 CB 0.0173 -0.0100 -0.0217 2587 ASP 24 HB1 0.0190 -0.0133 -0.0151 2588 ASP 24 HB2 0.0206 -0.0126 -0.0281 2589 ASP 24 CG 0.0172 -0.0101 -0.0210 2590 ASP 24 OD1 0.0124 -0.0045 -0.0211 2591 ASP 24 OD2 0.0228 -0.0163 -0.0223 2592 ASP 24 C 0.0111 -0.0024 -0.0241 2593 ASP 24 O 0.0109 -0.0034 -0.0179 2594 ASN 25 N 0.0118 -0.0014 -0.0336 2595 ASN 25 HN 0.0119 -0.0003 -0.0386 2596 ASN 25 CA 0.0117 -0.0004 -0.0373 2597 ASN 25 HA 0.0119 0.0009 -0.0450 2598 ASN 25 CB 0.0176 -0.0074 -0.0366 2599 ASN 25 HB1 0.0173 -0.0086 -0.0289 2600 ASN 25 HB2 0.0175 -0.0065 -0.0400 2601 ASN 25 CG 0.0240 -0.0140 -0.0404 2602 ASN 25 OD1 0.0265 -0.0179 -0.0357 2603 ASN 25 ND2 0.0268 -0.0153 -0.0499 2604 ASN 25 HD21 0.0246 -0.0120 -0.0537 2605 ASN 25 HD22 0.0315 -0.0205 -0.0512 2606 ASN 25 C 0.0056 0.0058 -0.0336 2607 ASN 25 O 0.0057 0.0051 -0.0306 2608 GLY 26 N 0.0101 0.0073 -0.0234 2609 GLY 26 HN 0.0099 0.0083 -0.0268 2610 GLY 26 CA 0.0055 0.0071 -0.0214 2611 GLY 26 HA1 0.0026 0.0081 -0.0239 2612 GLY 26 HA2 0.0059 0.0072 -0.0216 2613 GLY 26 C 0.0038 0.0059 -0.0165 2614 GLY 26 O 0.0037 0.0057 -0.0157 2615 THR 27 N 0.0024 0.0050 -0.0129 2616 THR 27 HN 0.0024 0.0050 -0.0130 2617 THR 27 CA 0.0004 0.0038 -0.0081 2618 THR 27 HA 0.0017 0.0034 -0.0072 2619 THR 27 CB -0.0055 0.0042 -0.0081 2620 THR 27 HB -0.0070 0.0033 -0.0043 2621 THR 27 OG1 -0.0077 0.0050 -0.0101 2622 THR 27 HG1 -0.0070 0.0042 -0.0077 2623 THR 27 CG2 -0.0072 0.0053 -0.0115 2624 THR 27 HG21 -0.0066 0.0064 -0.0155 2625 THR 27 HG22 -0.0115 0.0056 -0.0114 2626 THR 27 HG23 -0.0055 0.0048 -0.0101 2627 THR 27 C 0.0023 0.0027 -0.0047 2628 THR 27 O 0.0035 0.0030 -0.0063 2629 LEU 28 N 0.0005 0.0000 -0.0026 2630 LEU 28 HN 0.0009 0.0002 -0.0030 2631 LEU 28 CA 0.0005 0.0005 -0.0010 2632 LEU 28 HA 0.0008 0.0007 -0.0007 2633 LEU 28 CB 0.0014 0.0013 -0.0002 2634 LEU 28 HB1 0.0013 0.0011 -0.0004 2635 LEU 28 HB2 0.0013 0.0015 0.0011 2636 LEU 28 CG 0.0030 0.0021 -0.0008 2637 LEU 28 HG 0.0032 0.0019 -0.0020 2638 LEU 28 CD1 0.0039 0.0029 -0.0001 2639 LEU 28 HD11 0.0038 0.0031 0.0011 2640 LEU 28 HD12 0.0049 0.0034 -0.0007 2641 LEU 28 HD13 0.0034 0.0025 -0.0004 2642 LEU 28 CD2 0.0035 0.0026 -0.0003 2643 LEU 28 HD21 0.0045 0.0031 -0.0008 2644 LEU 28 HD22 0.0033 0.0027 0.0010 2645 LEU 28 HD23 0.0029 0.0021 -0.0007 2646 LEU 28 C -0.0009 -0.0003 -0.0001 2647 LEU 28 O -0.0014 -0.0003 0.0008 2648 PHE 29 N -0.0016 -0.0008 -0.0005 2649 PHE 29 HN -0.0011 -0.0006 -0.0010 2650 PHE 29 CA -0.0028 -0.0013 0.0006 2651 PHE 29 HA -0.0031 -0.0013 0.0014 2652 PHE 29 CB -0.0026 -0.0009 0.0016 2653 PHE 29 HB1 -0.0025 -0.0010 0.0008 2654 PHE 29 HB2 -0.0035 -0.0013 0.0024 2655 PHE 29 CG -0.0014 0.0001 0.0024 2656 PHE 29 CD1 -0.0012 0.0005 0.0034 2657 PHE 29 HD1 -0.0020 0.0000 0.0035 2658 PHE 29 CE1 -0.0002 0.0014 0.0043 2659 PHE 29 HE1 -0.0002 0.0016 0.0052 2660 PHE 29 CZ 0.0008 0.0020 0.0040 2661 PHE 29 HZ 0.0017 0.0027 0.0046 2662 PHE 29 CD2 -0.0004 0.0007 0.0023 2663 PHE 29 HD2 -0.0007 0.0004 0.0016 2664 PHE 29 CE2 0.0007 0.0016 0.0031 2665 PHE 29 HE2 0.0014 0.0021 0.0030 2666 PHE 29 C -0.0041 -0.0023 -0.0002 2667 PHE 29 O -0.0053 -0.0029 0.0007 2668 LEU 30 N -0.0040 -0.0021 0.0005 2669 LEU 30 HN -0.0034 -0.0010 -0.0001 2670 LEU 30 CA -0.0047 -0.0038 -0.0006 2671 LEU 30 HA -0.0050 -0.0045 -0.0006 2672 LEU 30 CB -0.0043 -0.0037 -0.0028 2673 LEU 30 HB1 -0.0037 -0.0023 -0.0027 2674 LEU 30 HB2 -0.0048 -0.0049 -0.0034 2675 LEU 30 CG -0.0041 -0.0035 -0.0045 2676 LEU 30 HG -0.0047 -0.0050 -0.0046 2677 LEU 30 CD1 -0.0036 -0.0023 -0.0039 2678 LEU 30 HD11 -0.0035 -0.0024 -0.0051 2679 LEU 30 HD12 -0.0039 -0.0027 -0.0025 2680 LEU 30 HD13 -0.0029 -0.0008 -0.0037 2681 LEU 30 CD2 -0.0035 -0.0029 -0.0065 2682 LEU 30 HD21 -0.0035 -0.0031 -0.0077 2683 LEU 30 HD22 -0.0029 -0.0014 -0.0065 2684 LEU 30 HD23 -0.0040 -0.0039 -0.0068 2685 LEU 30 C -0.0054 -0.0051 0.0005 2686 LEU 30 O -0.0062 -0.0068 0.0006 2687 GLY 31 N -0.0051 -0.0044 0.0010 2688 GLY 31 HN -0.0045 -0.0030 0.0011 2689 GLY 31 CA -0.0058 -0.0056 0.0018 2690 GLY 31 HA1 -0.0062 -0.0068 0.0007 2691 GLY 31 HA2 -0.0054 -0.0048 0.0018 2692 GLY 31 C -0.0063 -0.0061 0.0040 2693 GLY 31 O -0.0071 -0.0076 0.0047 2694 ILE 32 N -0.0050 -0.0063 0.0046 2695 ILE 32 HN -0.0048 -0.0057 0.0043 2696 ILE 32 CA -0.0055 -0.0060 0.0052 2697 ILE 32 HA -0.0060 -0.0064 0.0058 2698 ILE 32 CB -0.0056 -0.0047 0.0054 2699 ILE 32 HB -0.0051 -0.0043 0.0048 2700 ILE 32 CG2 -0.0061 -0.0044 0.0060 2701 ILE 32 HG21 -0.0061 -0.0035 0.0061 2702 ILE 32 HG22 -0.0058 -0.0044 0.0056 2703 ILE 32 HG23 -0.0066 -0.0048 0.0066 2704 ILE 32 CG1 -0.0060 -0.0045 0.0058 2705 ILE 32 HG11 -0.0065 -0.0048 0.0065 2706 ILE 32 HG12 -0.0057 -0.0048 0.0054 2707 ILE 32 CD -0.0060 -0.0033 0.0058 2708 ILE 32 HD1 -0.0062 -0.0031 0.0062 2709 ILE 32 HD2 -0.0054 -0.0030 0.0052 2710 ILE 32 HD3 -0.0062 -0.0028 0.0062 2711 ILE 32 C -0.0053 -0.0063 0.0049 2712 ILE 32 O -0.0057 -0.0067 0.0054 2713 LEU 33 N -0.0046 -0.0061 0.0041 2714 LEU 33 HN -0.0043 -0.0056 0.0037 2715 LEU 33 CA -0.0043 -0.0065 0.0037 2716 LEU 33 HA -0.0046 -0.0061 0.0041 2717 LEU 33 CB -0.0036 -0.0059 0.0028 2718 LEU 33 HB1 -0.0032 -0.0060 0.0024 2719 LEU 33 HB2 -0.0033 -0.0063 0.0025 2720 LEU 33 CG -0.0037 -0.0046 0.0029 2721 LEU 33 HG -0.0040 -0.0042 0.0033 2722 LEU 33 CD1 -0.0030 -0.0040 0.0021 2723 LEU 33 HD11 -0.0032 -0.0031 0.0023 2724 LEU 33 HD12 -0.0027 -0.0044 0.0017 2725 LEU 33 HD13 -0.0027 -0.0041 0.0017 2726 LEU 33 CD2 -0.0039 -0.0044 0.0032 2727 LEU 33 HD21 -0.0045 -0.0046 0.0039 2728 LEU 33 HD22 -0.0039 -0.0035 0.0032 2729 LEU 33 HD23 -0.0036 -0.0049 0.0029 2730 LEU 33 C -0.0042 -0.0077 0.0036 2731 LEU 33 O -0.0044 -0.0081 0.0038 2732 LYS 34 N -0.0030 -0.0106 0.0041 2733 LYS 34 HN -0.0031 -0.0097 0.0038 2734 LYS 34 CA -0.0027 -0.0124 0.0044 2735 LYS 34 HA -0.0022 -0.0132 0.0037 2736 LYS 34 CB -0.0026 -0.0124 0.0040 2737 LYS 34 HB1 -0.0022 -0.0118 0.0027 2738 LYS 34 HB2 -0.0031 -0.0118 0.0049 2739 LYS 34 CG -0.0022 -0.0141 0.0040 2740 LYS 34 HG1 -0.0025 -0.0146 0.0053 2741 LYS 34 HG2 -0.0016 -0.0149 0.0031 2742 LYS 34 CD -0.0020 -0.0141 0.0037 2743 LYS 34 HD1 -0.0026 -0.0133 0.0045 2744 LYS 34 HD2 -0.0018 -0.0155 0.0040 2745 LYS 34 CE -0.0015 -0.0136 0.0020 2746 LYS 34 HE1 -0.0014 -0.0141 0.0019 2747 LYS 34 HE2 -0.0010 -0.0141 0.0009 2748 LYS 34 NZ -0.0018 -0.0118 0.0017 2749 LYS 34 HZ1 -0.0023 -0.0113 0.0027 2750 LYS 34 HZ2 -0.0015 -0.0114 0.0006 2751 LYS 34 HZ3 -0.0019 -0.0112 0.0014 2752 LYS 34 C -0.0032 -0.0131 0.0061 2753 LYS 34 O -0.0029 -0.0146 0.0064 2754 ASN 35 N -0.0039 -0.0121 0.0074 2755 ASN 35 HN -0.0041 -0.0109 0.0072 2756 ASN 35 CA -0.0044 -0.0127 0.0091 2757 ASN 35 HA -0.0042 -0.0137 0.0093 2758 ASN 35 CB -0.0052 -0.0112 0.0101 2759 ASN 35 HB1 -0.0052 -0.0101 0.0096 2760 ASN 35 HB2 -0.0056 -0.0115 0.0114 2761 ASN 35 CG -0.0053 -0.0106 0.0102 2762 ASN 35 OD1 -0.0050 -0.0115 0.0100 2763 ASN 35 ND2 -0.0059 -0.0090 0.0107 2764 ASN 35 HD21 -0.0061 -0.0083 0.0109 2765 ASN 35 HD22 -0.0060 -0.0085 0.0107 2766 ASN 35 C -0.0044 -0.0135 0.0095 2767 ASN 35 O -0.0044 -0.0149 0.0104 2768 TRP 36 N -0.0036 -0.0093 0.0082 2769 TRP 36 HN -0.0040 -0.0090 0.0078 2770 TRP 36 CA -0.0033 -0.0095 0.0079 2771 TRP 36 HA -0.0029 -0.0099 0.0084 2772 TRP 36 CB -0.0038 -0.0091 0.0076 2773 TRP 36 HB1 -0.0039 -0.0089 0.0069 2774 TRP 36 HB2 -0.0034 -0.0094 0.0076 2775 TRP 36 CG -0.0044 -0.0087 0.0082 2776 TRP 36 CD1 -0.0050 -0.0082 0.0083 2777 TRP 36 HD1 -0.0052 -0.0081 0.0078 2778 TRP 36 NE1 -0.0054 -0.0080 0.0091 2779 TRP 36 HE1 -0.0059 -0.0077 0.0094 2780 TRP 36 CE2 -0.0050 -0.0084 0.0096 2781 TRP 36 CD2 -0.0044 -0.0088 0.0091 2782 TRP 36 CE3 -0.0038 -0.0093 0.0094 2783 TRP 36 HE3 -0.0033 -0.0096 0.0091 2784 TRP 36 CZ3 -0.0039 -0.0093 0.0103 2785 TRP 36 HZ3 -0.0035 -0.0097 0.0106 2786 TRP 36 CZ2 -0.0050 -0.0085 0.0105 2787 TRP 36 HZ2 -0.0055 -0.0081 0.0109 2788 TRP 36 CH2 -0.0045 -0.0089 0.0109 2789 TRP 36 HH2 -0.0047 -0.0089 0.0115 2790 TRP 36 C -0.0027 -0.0099 0.0071 2791 TRP 36 O -0.0029 -0.0096 0.0065 2792 LYS 37 N -0.0020 -0.0104 0.0072 2793 LYS 37 HN -0.0019 -0.0106 0.0077 2794 LYS 37 CA -0.0015 -0.0108 0.0065 2795 LYS 37 HA -0.0016 -0.0106 0.0059 2796 LYS 37 CB -0.0009 -0.0112 0.0069 2797 LYS 37 HB1 -0.0007 -0.0115 0.0076 2798 LYS 37 HB2 -0.0004 -0.0116 0.0065 2799 LYS 37 CG -0.0012 -0.0110 0.0072 2800 LYS 37 HG1 -0.0017 -0.0107 0.0076 2801 LYS 37 HG2 -0.0008 -0.0114 0.0076 2802 LYS 37 CD -0.0014 -0.0108 0.0064 2803 LYS 37 HD1 -0.0009 -0.0111 0.0059 2804 LYS 37 HD2 -0.0018 -0.0104 0.0060 2805 LYS 37 CE -0.0016 -0.0107 0.0066 2806 LYS 37 HE1 -0.0021 -0.0104 0.0071 2807 LYS 37 HE2 -0.0012 -0.0111 0.0069 2808 LYS 37 NZ -0.0018 -0.0105 0.0058 2809 LYS 37 HZ1 -0.0015 -0.0106 0.0052 2810 LYS 37 HZ2 -0.0023 -0.0100 0.0058 2811 LYS 37 HZ3 -0.0016 -0.0106 0.0059 2812 LYS 37 C -0.0010 -0.0111 0.0061 2813 LYS 37 O -0.0006 -0.0113 0.0055 2814 GLU 38 N -0.0005 -0.0103 0.0069 2815 GLU 38 HN -0.0015 -0.0106 0.0076 2816 GLU 38 CA -0.0005 -0.0094 0.0061 2817 GLU 38 HA 0.0007 -0.0095 0.0057 2818 GLU 38 CB -0.0019 -0.0095 0.0067 2819 GLU 38 HB1 -0.0017 -0.0106 0.0076 2820 GLU 38 HB2 -0.0033 -0.0090 0.0069 2821 GLU 38 CG -0.0017 -0.0087 0.0059 2822 GLU 38 HG1 -0.0003 -0.0086 0.0054 2823 GLU 38 HG2 -0.0020 -0.0093 0.0066 2824 GLU 38 CD -0.0028 -0.0073 0.0052 2825 GLU 38 OE1 -0.0045 -0.0071 0.0057 2826 GLU 38 OE2 -0.0022 -0.0062 0.0041 2827 GLU 38 C -0.0008 -0.0079 0.0049 2828 GLU 38 O -0.0018 -0.0075 0.0050 2829 GLU 39 N 0.0000 -0.0070 0.0038 2830 GLU 39 HN 0.0009 -0.0073 0.0037 2831 GLU 39 CA -0.0001 -0.0056 0.0026 2832 GLU 39 HA 0.0003 -0.0057 0.0026 2833 GLU 39 CB 0.0013 -0.0048 0.0015 2834 GLU 39 HB1 0.0026 -0.0054 0.0015 2835 GLU 39 HB2 0.0011 -0.0050 0.0017 2836 GLU 39 CG 0.0011 -0.0033 0.0002 2837 GLU 39 HG1 0.0019 -0.0029 -0.0004 2838 GLU 39 HG2 -0.0002 -0.0026 0.0002 2839 GLU 39 CD 0.0020 -0.0030 -0.0004 2840 GLU 39 OE1 0.0013 -0.0032 0.0001 2841 GLU 39 OE2 0.0033 -0.0025 -0.0013 2842 GLU 39 C -0.0019 -0.0046 0.0025 2843 GLU 39 O -0.0024 -0.0038 0.0021 2844 SER 40 N -0.0014 -0.0042 0.0025 2845 SER 40 HN -0.0010 -0.0047 0.0028 2846 SER 40 CA -0.0028 -0.0035 0.0023 2847 SER 40 HA -0.0027 -0.0026 0.0015 2848 SER 40 CB -0.0036 -0.0035 0.0026 2849 SER 40 HB1 -0.0038 -0.0045 0.0034 2850 SER 40 HB2 -0.0047 -0.0029 0.0023 2851 SER 40 OG -0.0027 -0.0034 0.0022 2852 SER 40 HG1 -0.0020 -0.0041 0.0026 2853 SER 40 C -0.0038 -0.0039 0.0029 2854 SER 40 O -0.0046 -0.0032 0.0026 2855 ASP 41 N -0.0038 -0.0051 0.0040 2856 ASP 41 HN -0.0033 -0.0057 0.0043 2857 ASP 41 CA -0.0045 -0.0057 0.0046 2858 ASP 41 HA -0.0057 -0.0055 0.0048 2859 ASP 41 CB -0.0042 -0.0071 0.0057 2860 ASP 41 HB1 -0.0029 -0.0073 0.0056 2861 ASP 41 HB2 -0.0048 -0.0074 0.0062 2862 ASP 41 CG -0.0049 -0.0075 0.0063 2863 ASP 41 OD1 -0.0056 -0.0069 0.0060 2864 ASP 41 OD2 -0.0046 -0.0087 0.0071 2865 ASP 41 C -0.0040 -0.0054 0.0042 2866 ASP 41 O -0.0048 -0.0052 0.0043 2867 ARG 42 N -0.0041 -0.0040 0.0032 2868 ARG 42 HN -0.0036 -0.0041 0.0031 2869 ARG 42 CA -0.0037 -0.0038 0.0029 2870 ARG 42 HA -0.0040 -0.0041 0.0032 2871 ARG 42 CB -0.0026 -0.0040 0.0027 2872 ARG 42 HB1 -0.0024 -0.0038 0.0024 2873 ARG 42 HB2 -0.0023 -0.0038 0.0025 2874 ARG 42 CG -0.0022 -0.0049 0.0034 2875 ARG 42 HG1 -0.0025 -0.0051 0.0037 2876 ARG 42 HG2 -0.0024 -0.0052 0.0037 2877 ARG 42 CD -0.0011 -0.0051 0.0032 2878 ARG 42 HD1 -0.0007 -0.0056 0.0036 2879 ARG 42 HD2 -0.0008 -0.0047 0.0028 2880 ARG 42 NE -0.0008 -0.0048 0.0030 2881 ARG 42 HE -0.0006 -0.0044 0.0025 2882 ARG 42 CZ -0.0009 -0.0053 0.0033 2883 ARG 42 NH1 -0.0013 -0.0058 0.0040 2884 ARG 42 HH11 -0.0018 -0.0059 0.0042 2885 ARG 42 HH12 -0.0015 -0.0061 0.0043 2886 ARG 42 NH2 -0.0006 -0.0050 0.0031 2887 ARG 42 HH21 -0.0003 -0.0046 0.0026 2888 ARG 42 HH22 -0.0006 -0.0054 0.0034 2889 ARG 42 C -0.0041 -0.0031 0.0023 2890 ARG 42 O -0.0045 -0.0029 0.0023 2891 LYS 43 N -0.0041 -0.0026 0.0018 2892 LYS 43 HN -0.0037 -0.0027 0.0018 2893 LYS 43 CA -0.0045 -0.0018 0.0013 2894 LYS 43 HA -0.0041 -0.0017 0.0010 2895 LYS 43 CB -0.0043 -0.0013 0.0008 2896 LYS 43 HB1 -0.0046 -0.0015 0.0010 2897 LYS 43 HB2 -0.0046 -0.0008 0.0003 2898 LYS 43 CG -0.0032 -0.0013 0.0004 2899 LYS 43 HG1 -0.0028 -0.0018 0.0008 2900 LYS 43 HG2 -0.0032 -0.0011 0.0002 2901 LYS 43 CD -0.0028 -0.0008 -0.0001 2902 LYS 43 HD1 -0.0030 -0.0002 -0.0006 2903 LYS 43 HD2 -0.0032 -0.0008 -0.0000 2904 LYS 43 CE -0.0017 -0.0010 -0.0003 2905 LYS 43 HE1 -0.0014 -0.0010 -0.0003 2906 LYS 43 HE2 -0.0016 -0.0006 -0.0007 2907 LYS 43 NZ -0.0015 -0.0017 0.0003 2908 LYS 43 HZ1 -0.0020 -0.0018 0.0005 2909 LYS 43 HZ2 -0.0013 -0.0021 0.0006 2910 LYS 43 HZ3 -0.0009 -0.0017 0.0001 2911 LYS 43 C -0.0055 -0.0017 0.0015 2912 LYS 43 O -0.0058 -0.0013 0.0012 2913 ILE 44 N -0.0041 -0.0024 0.0010 2914 ILE 44 HN -0.0036 -0.0027 0.0014 2915 ILE 44 CA -0.0054 -0.0024 0.0013 2916 ILE 44 HA -0.0058 -0.0019 0.0007 2917 ILE 44 CB -0.0057 -0.0028 0.0022 2918 ILE 44 HB -0.0052 -0.0033 0.0028 2919 ILE 44 CG2 -0.0070 -0.0030 0.0026 2920 ILE 44 HG21 -0.0073 -0.0033 0.0032 2921 ILE 44 HG22 -0.0072 -0.0032 0.0031 2922 ILE 44 HG23 -0.0077 -0.0025 0.0021 2923 ILE 44 CG1 -0.0055 -0.0026 0.0018 2924 ILE 44 HG11 -0.0062 -0.0022 0.0013 2925 ILE 44 HG12 -0.0047 -0.0025 0.0014 2926 ILE 44 CD -0.0055 -0.0032 0.0026 2927 ILE 44 HD1 -0.0048 -0.0036 0.0032 2928 ILE 44 HD2 -0.0063 -0.0033 0.0030 2929 ILE 44 HD3 -0.0052 -0.0030 0.0023 2930 ILE 44 C -0.0059 -0.0025 0.0016 2931 ILE 44 O -0.0067 -0.0021 0.0013 2932 MET 45 N -0.0053 -0.0030 0.0023 2933 MET 45 HN -0.0046 -0.0033 0.0026 2934 MET 45 CA -0.0057 -0.0032 0.0028 2935 MET 45 HA -0.0066 -0.0032 0.0030 2936 MET 45 CB -0.0053 -0.0040 0.0038 2937 MET 45 HB1 -0.0043 -0.0041 0.0037 2938 MET 45 HB2 -0.0054 -0.0041 0.0041 2939 MET 45 CG -0.0056 -0.0044 0.0046 2940 MET 45 HG1 -0.0051 -0.0043 0.0043 2941 MET 45 HG2 -0.0052 -0.0049 0.0053 2942 MET 45 SD -0.0071 -0.0044 0.0049 2943 MET 45 CE -0.0069 -0.0051 0.0059 2944 MET 45 HE1 -0.0062 -0.0055 0.0064 2945 MET 45 HE2 -0.0077 -0.0052 0.0063 2946 MET 45 HE3 -0.0066 -0.0049 0.0057 2947 MET 45 C -0.0055 -0.0028 0.0021 2948 MET 45 O -0.0062 -0.0027 0.0020 2949 GLN 46 N -0.0046 -0.0021 0.0018 2950 GLN 46 HN -0.0044 -0.0022 0.0018 2951 GLN 46 CA -0.0041 -0.0018 0.0015 2952 GLN 46 HA -0.0039 -0.0021 0.0017 2953 GLN 46 CB -0.0035 -0.0016 0.0014 2954 GLN 46 HB1 -0.0036 -0.0013 0.0013 2955 GLN 46 HB2 -0.0032 -0.0012 0.0012 2956 GLN 46 CG -0.0030 -0.0021 0.0017 2957 GLN 46 HG1 -0.0027 -0.0023 0.0017 2958 GLN 46 HG2 -0.0032 -0.0024 0.0019 2959 GLN 46 CD -0.0024 -0.0019 0.0015 2960 GLN 46 OE1 -0.0025 -0.0014 0.0012 2961 GLN 46 NE2 -0.0019 -0.0022 0.0017 2962 GLN 46 HE21 -0.0019 -0.0026 0.0019 2963 GLN 46 HE22 -0.0015 -0.0022 0.0016 2964 GLN 46 C -0.0044 -0.0012 0.0012 2965 GLN 46 O -0.0043 -0.0011 0.0012 2966 SER 47 N -0.0049 -0.0010 0.0011 2967 SER 47 HN -0.0050 -0.0011 0.0012 2968 SER 47 CA -0.0053 -0.0005 0.0008 2969 SER 47 HA -0.0050 -0.0001 0.0006 2970 SER 47 CB -0.0058 -0.0002 0.0007 2971 SER 47 HB1 -0.0054 -0.0001 0.0006 2972 SER 47 HB2 -0.0060 -0.0006 0.0010 2973 SER 47 OG -0.0062 0.0002 0.0005 2974 SER 47 HG1 -0.0063 0.0005 0.0003 2975 SER 47 C -0.0057 -0.0006 0.0009 2976 SER 47 O -0.0057 -0.0003 0.0008 2977 GLN 48 N -0.0048 0.0009 0.0018 2978 GLN 48 HN -0.0050 0.0008 0.0017 2979 GLN 48 CA -0.0049 0.0003 0.0018 2980 GLN 48 HA -0.0051 0.0005 0.0016 2981 GLN 48 CB -0.0053 -0.0003 0.0016 2982 GLN 48 HB1 -0.0052 -0.0005 0.0017 2983 GLN 48 HB2 -0.0053 -0.0008 0.0017 2984 GLN 48 CG -0.0061 -0.0001 0.0013 2985 GLN 48 HG1 -0.0061 0.0003 0.0012 2986 GLN 48 HG2 -0.0064 -0.0005 0.0011 2987 GLN 48 CD -0.0064 0.0002 0.0011 2988 GLN 48 OE1 -0.0062 -0.0001 0.0012 2989 GLN 48 NE2 -0.0067 0.0007 0.0009 2990 GLN 48 HE21 -0.0068 0.0009 0.0008 2991 GLN 48 HE22 -0.0070 0.0008 0.0007 2992 GLN 48 C -0.0042 -0.0000 0.0021 2993 GLN 48 O -0.0042 -0.0002 0.0021 2994 ILE 49 N -0.0038 -0.0001 0.0023 2995 ILE 49 HN -0.0039 -0.0000 0.0023 2996 ILE 49 CA -0.0031 -0.0004 0.0027 2997 ILE 49 HA -0.0032 -0.0009 0.0027 2998 ILE 49 CB -0.0027 -0.0005 0.0029 2999 ILE 49 HB -0.0028 -0.0000 0.0028 3000 ILE 49 CG2 -0.0020 -0.0007 0.0032 3001 ILE 49 HG21 -0.0018 -0.0010 0.0033 3002 ILE 49 HG22 -0.0016 -0.0003 0.0034 3003 ILE 49 HG23 -0.0021 -0.0012 0.0032 3004 ILE 49 CG1 -0.0031 -0.0012 0.0027 3005 ILE 49 HG11 -0.0030 -0.0017 0.0029 3006 ILE 49 HG12 -0.0036 -0.0011 0.0025 3007 ILE 49 CD -0.0029 -0.0012 0.0028 3008 ILE 49 HD1 -0.0032 -0.0008 0.0027 3009 ILE 49 HD2 -0.0024 -0.0012 0.0031 3010 ILE 49 HD3 -0.0032 -0.0017 0.0028 3011 ILE 49 C -0.0027 0.0001 0.0028 3012 ILE 49 O -0.0024 -0.0001 0.0029 3013 VAL 50 N -0.0021 -0.0003 0.0015 3014 VAL 50 HN -0.0025 -0.0004 0.0015 3015 VAL 50 CA -0.0017 0.0001 0.0019 3016 VAL 50 HA -0.0013 0.0000 0.0018 3017 VAL 50 CB -0.0021 0.0005 0.0022 3018 VAL 50 HB -0.0026 0.0006 0.0023 3019 VAL 50 CG1 -0.0018 0.0011 0.0026 3020 VAL 50 HG11 -0.0012 0.0011 0.0026 3021 VAL 50 HG12 -0.0020 0.0012 0.0028 3022 VAL 50 HG13 -0.0019 0.0013 0.0028 3023 VAL 50 CG2 -0.0023 0.0003 0.0020 3024 VAL 50 HG21 -0.0018 0.0002 0.0019 3025 VAL 50 HG22 -0.0026 -0.0001 0.0017 3026 VAL 50 HG23 -0.0026 0.0006 0.0023 3027 VAL 50 C -0.0015 0.0004 0.0021 3028 VAL 50 O -0.0009 0.0006 0.0022 3029 SER 51 N -0.0019 0.0005 0.0022 3030 SER 51 HN -0.0023 0.0003 0.0020 3031 SER 51 CA -0.0017 0.0007 0.0023 3032 SER 51 HA -0.0014 0.0011 0.0026 3033 SER 51 CB -0.0022 0.0009 0.0025 3034 SER 51 HB1 -0.0020 0.0011 0.0027 3035 SER 51 HB2 -0.0026 0.0011 0.0027 3036 SER 51 OG -0.0026 0.0004 0.0021 3037 SER 51 HG1 -0.0026 0.0004 0.0021 3038 SER 51 C -0.0011 0.0004 0.0021 3039 SER 51 O -0.0006 0.0006 0.0022 3040 PHE 52 N 0.0025 0.0015 0.0044 3041 PHE 52 HN 0.0023 0.0013 0.0044 3042 PHE 52 CA 0.0028 0.0018 0.0041 3043 PHE 52 HA 0.0030 0.0020 0.0043 3044 PHE 52 CB 0.0026 0.0018 0.0038 3045 PHE 52 HB1 0.0027 0.0017 0.0040 3046 PHE 52 HB2 0.0024 0.0015 0.0037 3047 PHE 52 CG 0.0028 0.0020 0.0035 3048 PHE 52 CD1 0.0031 0.0023 0.0036 3049 PHE 52 HD1 0.0032 0.0023 0.0039 3050 PHE 52 CE1 0.0034 0.0026 0.0033 3051 PHE 52 HE1 0.0036 0.0028 0.0034 3052 PHE 52 CZ 0.0033 0.0026 0.0029 3053 PHE 52 HZ 0.0034 0.0028 0.0026 3054 PHE 52 CD2 0.0027 0.0020 0.0030 3055 PHE 52 HD2 0.0025 0.0018 0.0029 3056 PHE 52 CE2 0.0029 0.0023 0.0027 3057 PHE 52 HE2 0.0029 0.0023 0.0024 3058 PHE 52 C 0.0028 0.0019 0.0038 3059 PHE 52 O 0.0030 0.0021 0.0038 3060 TYR 53 N 0.0025 0.0016 0.0037 3061 TYR 53 HN 0.0023 0.0014 0.0038 3062 TYR 53 CA 0.0024 0.0016 0.0034 3063 TYR 53 HA 0.0026 0.0018 0.0032 3064 TYR 53 CB 0.0021 0.0013 0.0032 3065 TYR 53 HB1 0.0019 0.0011 0.0034 3066 TYR 53 HB2 0.0020 0.0012 0.0031 3067 TYR 53 CG 0.0020 0.0014 0.0028 3068 TYR 53 CD1 0.0021 0.0015 0.0024 3069 TYR 53 HD1 0.0022 0.0017 0.0024 3070 TYR 53 CE1 0.0020 0.0015 0.0020 3071 TYR 53 HE1 0.0021 0.0017 0.0017 3072 TYR 53 CZ 0.0018 0.0013 0.0020 3073 TYR 53 OH 0.0017 0.0013 0.0016 3074 TYR 53 HH 0.0018 0.0015 0.0013 3075 TYR 53 CD2 0.0018 0.0011 0.0028 3076 TYR 53 HD2 0.0017 0.0010 0.0030 3077 TYR 53 CE2 0.0017 0.0011 0.0023 3078 TYR 53 HE2 0.0015 0.0010 0.0023 3079 TYR 53 C 0.0025 0.0017 0.0037 3080 TYR 53 O 0.0027 0.0019 0.0035 3081 PHE 54 N 0.0022 0.0005 0.0018 3082 PHE 54 HN 0.0017 0.0004 0.0018 3083 PHE 54 CA 0.0025 0.0003 0.0029 3084 PHE 54 HA 0.0023 0.0003 0.0028 3085 PHE 54 CB 0.0021 -0.0000 0.0038 3086 PHE 54 HB1 0.0022 0.0000 0.0037 3087 PHE 54 HB2 0.0026 -0.0001 0.0045 3088 PHE 54 CG 0.0010 -0.0004 0.0040 3089 PHE 54 CD1 0.0004 -0.0004 0.0036 3090 PHE 54 HD1 0.0007 -0.0002 0.0031 3091 PHE 54 CE1 -0.0007 -0.0007 0.0038 3092 PHE 54 HE1 -0.0011 -0.0007 0.0035 3093 PHE 54 CZ -0.0011 -0.0010 0.0045 3094 PHE 54 HZ -0.0019 -0.0013 0.0047 3095 PHE 54 CD2 0.0005 -0.0007 0.0047 3096 PHE 54 HD2 0.0009 -0.0007 0.0052 3097 PHE 54 CE2 -0.0005 -0.0010 0.0050 3098 PHE 54 HE2 -0.0009 -0.0013 0.0056 3099 PHE 54 C 0.0037 0.0006 0.0030 3100 PHE 54 O 0.0042 0.0006 0.0035 3101 LYS 55 N 0.0043 0.0008 0.0027 3102 LYS 55 HN 0.0039 0.0008 0.0024 3103 LYS 55 CA 0.0054 0.0011 0.0026 3104 LYS 55 HA 0.0057 0.0010 0.0034 3105 LYS 55 CB 0.0058 0.0012 0.0025 3106 LYS 55 HB1 0.0055 0.0010 0.0031 3107 LYS 55 HB2 0.0055 0.0014 0.0017 3108 LYS 55 CG 0.0070 0.0015 0.0025 3109 LYS 55 HG1 0.0071 0.0017 0.0019 3110 LYS 55 HG2 0.0075 0.0014 0.0032 3111 LYS 55 CD 0.0073 0.0017 0.0023 3112 LYS 55 HD1 0.0069 0.0014 0.0028 3113 LYS 55 HD2 0.0070 0.0018 0.0015 3114 LYS 55 CE 0.0085 0.0019 0.0023 3115 LYS 55 HE1 0.0087 0.0020 0.0023 3116 LYS 55 HE2 0.0089 0.0022 0.0017 3117 LYS 55 NZ 0.0090 0.0018 0.0033 3118 LYS 55 HZ1 0.0091 0.0018 0.0033 3119 LYS 55 HZ2 0.0084 0.0015 0.0039 3120 LYS 55 HZ3 0.0096 0.0019 0.0036 3121 LYS 55 C 0.0058 0.0014 0.0019 3122 LYS 55 O 0.0066 0.0015 0.0021 3123 LEU 56 N 0.0070 0.0015 0.0044 3124 LEU 56 HN 0.0070 0.0014 0.0044 3125 LEU 56 CA 0.0065 0.0022 0.0039 3126 LEU 56 HA 0.0069 0.0026 0.0040 3127 LEU 56 CB 0.0061 0.0027 0.0036 3128 LEU 56 HB1 0.0066 0.0030 0.0038 3129 LEU 56 HB2 0.0057 0.0023 0.0034 3130 LEU 56 CG 0.0057 0.0035 0.0031 3131 LEU 56 HG 0.0053 0.0033 0.0029 3132 LEU 56 CD1 0.0063 0.0043 0.0033 3133 LEU 56 HD11 0.0067 0.0046 0.0034 3134 LEU 56 HD12 0.0060 0.0048 0.0029 3135 LEU 56 HD13 0.0068 0.0040 0.0036 3136 LEU 56 CD2 0.0052 0.0037 0.0027 3137 LEU 56 HD21 0.0055 0.0040 0.0029 3138 LEU 56 HD22 0.0047 0.0032 0.0026 3139 LEU 56 HD23 0.0048 0.0043 0.0024 3140 LEU 56 C 0.0058 0.0017 0.0036 3141 LEU 56 O 0.0057 0.0020 0.0035 3142 PHE 57 N 0.0053 0.0010 0.0036 3143 PHE 57 HN 0.0055 0.0007 0.0037 3144 PHE 57 CA 0.0047 0.0004 0.0034 3145 PHE 57 HA 0.0043 0.0009 0.0030 3146 PHE 57 CB 0.0044 -0.0005 0.0034 3147 PHE 57 HB1 0.0049 -0.0009 0.0038 3148 PHE 57 HB2 0.0039 -0.0009 0.0032 3149 PHE 57 CG 0.0040 -0.0002 0.0031 3150 PHE 57 CD1 0.0036 0.0007 0.0026 3151 PHE 57 HD1 0.0035 0.0011 0.0025 3152 PHE 57 CE1 0.0033 0.0009 0.0024 3153 PHE 57 HE1 0.0031 0.0015 0.0021 3154 PHE 57 CZ 0.0033 0.0003 0.0025 3155 PHE 57 HZ 0.0031 0.0005 0.0024 3156 PHE 57 CD2 0.0039 -0.0008 0.0032 3157 PHE 57 HD2 0.0042 -0.0013 0.0035 3158 PHE 57 CE2 0.0036 -0.0005 0.0030 3159 PHE 57 HE2 0.0037 -0.0010 0.0031 3160 PHE 57 C 0.0051 0.0001 0.0036 3161 PHE 57 O 0.0047 0.0001 0.0034 3162 LYS 58 N 0.0059 0.0002 0.0043 3163 LYS 58 HN 0.0064 0.0005 0.0043 3164 LYS 58 CA 0.0064 -0.0004 0.0044 3165 LYS 58 HA 0.0060 -0.0012 0.0044 3166 LYS 58 CB 0.0075 -0.0007 0.0046 3167 LYS 58 HB1 0.0075 -0.0012 0.0047 3168 LYS 58 HB2 0.0080 -0.0000 0.0046 3169 LYS 58 CG 0.0080 -0.0014 0.0048 3170 LYS 58 HG1 0.0083 -0.0009 0.0048 3171 LYS 58 HG2 0.0075 -0.0020 0.0048 3172 LYS 58 CD 0.0090 -0.0020 0.0050 3173 LYS 58 HD1 0.0087 -0.0022 0.0050 3174 LYS 58 HD2 0.0096 -0.0014 0.0050 3175 LYS 58 CE 0.0093 -0.0030 0.0051 3176 LYS 58 HE1 0.0094 -0.0028 0.0051 3177 LYS 58 HE2 0.0087 -0.0036 0.0051 3178 LYS 58 NZ 0.0103 -0.0033 0.0053 3179 LYS 58 HZ1 0.0106 -0.0039 0.0054 3180 LYS 58 HZ2 0.0102 -0.0034 0.0053 3181 LYS 58 HZ3 0.0108 -0.0026 0.0054 3182 LYS 58 C 0.0063 0.0001 0.0044 3183 LYS 58 O 0.0061 -0.0004 0.0044 3184 ASN 59 N 0.0065 0.0011 0.0043 3185 ASN 59 HN 0.0067 0.0016 0.0043 3186 ASN 59 CA 0.0064 0.0017 0.0042 3187 ASN 59 HA 0.0069 0.0014 0.0043 3188 ASN 59 CB 0.0069 0.0029 0.0042 3189 ASN 59 HB1 0.0066 0.0031 0.0041 3190 ASN 59 HB2 0.0066 0.0035 0.0041 3191 ASN 59 CG 0.0081 0.0028 0.0044 3192 ASN 59 OD1 0.0085 0.0020 0.0045 3193 ASN 59 ND2 0.0086 0.0037 0.0044 3194 ASN 59 HD21 0.0082 0.0044 0.0043 3195 ASN 59 HD22 0.0094 0.0037 0.0045 3196 ASN 59 C 0.0053 0.0018 0.0040 3197 ASN 59 O 0.0051 0.0017 0.0040 3198 PHE 60 N 0.0045 0.0016 0.0039 3199 PHE 60 HN 0.0050 0.0011 0.0042 3200 PHE 60 CA 0.0028 0.0019 0.0028 3201 PHE 60 HA 0.0025 0.0031 0.0028 3202 PHE 60 CB 0.0023 0.0026 0.0026 3203 PHE 60 HB1 0.0029 0.0018 0.0028 3204 PHE 60 HB2 0.0011 0.0026 0.0017 3205 PHE 60 CG 0.0027 0.0045 0.0031 3206 PHE 60 CD1 0.0041 0.0049 0.0042 3207 PHE 60 HD1 0.0050 0.0038 0.0046 3208 PHE 60 CE1 0.0046 0.0068 0.0048 3209 PHE 60 HE1 0.0056 0.0071 0.0055 3210 PHE 60 CZ 0.0034 0.0081 0.0042 3211 PHE 60 HZ 0.0038 0.0095 0.0046 3212 PHE 60 CD2 0.0016 0.0060 0.0026 3213 PHE 60 HD2 0.0004 0.0057 0.0017 3214 PHE 60 CE2 0.0020 0.0078 0.0032 3215 PHE 60 HE2 0.0012 0.0089 0.0028 3216 PHE 60 C 0.0020 0.0002 0.0020 3217 PHE 60 O 0.0008 0.0000 0.0011 3218 LYS 61 N 0.0027 -0.0009 0.0023 3219 LYS 61 HN 0.0038 -0.0006 0.0031 3220 LYS 61 CA 0.0021 -0.0026 0.0016 3221 LYS 61 HA 0.0018 -0.0034 0.0013 3222 LYS 61 CB 0.0035 -0.0038 0.0024 3223 LYS 61 HB1 0.0030 -0.0051 0.0018 3224 LYS 61 HB2 0.0044 -0.0040 0.0030 3225 LYS 61 CG 0.0043 -0.0032 0.0030 3226 LYS 61 HG1 0.0047 -0.0019 0.0035 3227 LYS 61 HG2 0.0035 -0.0027 0.0026 3228 LYS 61 CD 0.0056 -0.0047 0.0037 3229 LYS 61 HD1 0.0049 -0.0058 0.0030 3230 LYS 61 HD2 0.0062 -0.0052 0.0041 3231 LYS 61 CE 0.0067 -0.0042 0.0045 3232 LYS 61 HE1 0.0060 -0.0040 0.0040 3233 LYS 61 HE2 0.0076 -0.0054 0.0050 3234 LYS 61 NZ 0.0075 -0.0026 0.0053 3235 LYS 61 HZ1 0.0078 -0.0025 0.0056 3236 LYS 61 HZ2 0.0069 -0.0014 0.0051 3237 LYS 61 HZ3 0.0084 -0.0026 0.0060 3238 LYS 61 C 0.0009 -0.0024 0.0008 3239 LYS 61 O 0.0003 -0.0037 0.0002 3240 ASP 62 N -0.0059 0.0019 -0.0034 3241 ASP 62 HN -0.0050 0.0033 -0.0003 3242 ASP 62 CA -0.0098 0.0032 -0.0063 3243 ASP 62 HA -0.0097 0.0012 -0.0089 3244 ASP 62 CB -0.0120 0.0063 -0.0048 3245 ASP 62 HB1 -0.0124 0.0086 -0.0022 3246 ASP 62 HB2 -0.0148 0.0073 -0.0070 3247 ASP 62 CG -0.0099 0.0055 -0.0033 3248 ASP 62 OD1 -0.0102 0.0040 -0.0057 3249 ASP 62 OD2 -0.0081 0.0067 0.0004 3250 ASP 62 C -0.0119 0.0042 -0.0075 3251 ASP 62 O -0.0148 0.0047 -0.0104 3252 ASP 63 N -0.0102 0.0045 -0.0051 3253 ASP 63 HN -0.0079 0.0042 -0.0026 3254 ASP 63 CA -0.0114 0.0049 -0.0061 3255 ASP 63 HA -0.0144 0.0070 -0.0068 3256 ASP 63 CB -0.0099 0.0062 -0.0024 3257 ASP 63 HB1 -0.0068 0.0045 -0.0009 3258 ASP 63 HB2 -0.0108 0.0065 -0.0031 3259 ASP 63 CG -0.0115 0.0098 0.0005 3260 ASP 63 OD1 -0.0091 0.0103 0.0041 3261 ASP 63 OD2 -0.0149 0.0121 -0.0005 3262 ASP 63 C -0.0110 0.0016 -0.0099 3263 ASP 63 O -0.0079 -0.0011 -0.0099 3264 GLN 64 N -0.0266 0.0013 -0.0190 3265 GLN 64 HN -0.0340 0.0038 -0.0187 3266 GLN 64 CA -0.0231 -0.0016 -0.0268 3267 GLN 64 HA -0.0188 -0.0041 -0.0318 3268 GLN 64 CB -0.0317 -0.0004 -0.0342 3269 GLN 64 HB1 -0.0382 0.0026 -0.0300 3270 GLN 64 HB2 -0.0278 -0.0028 -0.0391 3271 GLN 64 CG -0.0358 -0.0009 -0.0421 3272 GLN 64 HG1 -0.0303 -0.0039 -0.0477 3273 GLN 64 HG2 -0.0380 0.0006 -0.0386 3274 GLN 64 CD -0.0451 0.0007 -0.0486 3275 GLN 64 OE1 -0.0499 0.0026 -0.0473 3276 GLN 64 NE2 -0.0472 -0.0006 -0.0576 3277 GLN 64 HE21 -0.0428 -0.0025 -0.0593 3278 GLN 64 HE22 -0.0530 0.0003 -0.0621 3279 GLN 64 C -0.0163 -0.0030 -0.0230 3280 GLN 64 O -0.0086 -0.0064 -0.0267 3281 SER 65 N -0.0191 -0.0000 -0.0139 3282 SER 65 HN -0.0242 0.0024 -0.0106 3283 SER 65 CA -0.0155 -0.0002 -0.0094 3284 SER 65 HA -0.0159 -0.0014 -0.0155 3285 SER 65 CB -0.0206 0.0036 0.0002 3286 SER 65 HB1 -0.0165 0.0033 0.0048 3287 SER 65 HB2 -0.0277 0.0052 -0.0032 3288 SER 65 OG -0.0229 0.0059 0.0069 3289 SER 65 HG1 -0.0274 0.0084 0.0118 3290 SER 65 C -0.0046 -0.0028 -0.0051 3291 SER 65 O 0.0007 -0.0045 -0.0048 3292 ILE 66 N -0.0076 -0.0007 -0.0047 3293 ILE 66 HN -0.0078 -0.0004 -0.0046 3294 ILE 66 CA -0.0051 -0.0013 -0.0037 3295 ILE 66 HA -0.0050 -0.0017 -0.0040 3296 ILE 66 CB -0.0040 0.0003 -0.0015 3297 ILE 66 HB -0.0020 -0.0003 -0.0007 3298 ILE 66 CG2 -0.0054 0.0023 -0.0007 3299 ILE 66 HG21 -0.0046 0.0035 0.0010 3300 ILE 66 HG22 -0.0055 0.0020 -0.0009 3301 ILE 66 HG23 -0.0074 0.0031 -0.0012 3302 ILE 66 CG1 -0.0040 0.0011 -0.0008 3303 ILE 66 HG11 -0.0056 0.0026 -0.0005 3304 ILE 66 HG12 -0.0043 -0.0002 -0.0021 3305 ILE 66 CD -0.0016 0.0012 0.0009 3306 ILE 66 HD1 -0.0012 0.0021 0.0020 3307 ILE 66 HD2 -0.0016 0.0019 0.0015 3308 ILE 66 HD3 -0.0000 -0.0004 0.0004 3309 ILE 66 C -0.0032 -0.0034 -0.0043 3310 ILE 66 O -0.0010 -0.0038 -0.0033 3311 GLN 67 N -0.0039 -0.0047 -0.0059 3312 GLN 67 HN -0.0056 -0.0043 -0.0067 3313 GLN 67 CA -0.0021 -0.0067 -0.0066 3314 GLN 67 HA -0.0005 -0.0064 -0.0053 3315 GLN 67 CB -0.0030 -0.0075 -0.0079 3316 GLN 67 HB1 -0.0039 -0.0062 -0.0073 3317 GLN 67 HB2 -0.0046 -0.0079 -0.0093 3318 GLN 67 CG -0.0013 -0.0093 -0.0084 3319 GLN 67 HG1 -0.0025 -0.0095 -0.0093 3320 GLN 67 HG2 -0.0001 -0.0109 -0.0090 3321 GLN 67 CD 0.0004 -0.0084 -0.0064 3322 GLN 67 OE1 -0.0004 -0.0068 -0.0055 3323 GLN 67 NE2 0.0028 -0.0091 -0.0055 3324 GLN 67 HE21 0.0035 -0.0105 -0.0063 3325 GLN 67 HE22 0.0039 -0.0085 -0.0043 3326 GLN 67 C -0.0010 -0.0085 -0.0075 3327 GLN 67 O 0.0012 -0.0098 -0.0072 3328 LYS 68 N -0.0040 -0.0054 -0.0044 3329 LYS 68 HN -0.0054 -0.0052 -0.0041 3330 LYS 68 CA -0.0034 -0.0055 -0.0046 3331 LYS 68 HA -0.0025 -0.0065 -0.0055 3332 LYS 68 CB -0.0049 -0.0056 -0.0045 3333 LYS 68 HB1 -0.0057 -0.0068 -0.0053 3334 LYS 68 HB2 -0.0059 -0.0048 -0.0037 3335 LYS 68 CG -0.0043 -0.0057 -0.0046 3336 LYS 68 HG1 -0.0027 -0.0056 -0.0047 3337 LYS 68 HG2 -0.0047 -0.0067 -0.0054 3338 LYS 68 CD -0.0048 -0.0044 -0.0035 3339 LYS 68 HD1 -0.0063 -0.0046 -0.0035 3340 LYS 68 HD2 -0.0044 -0.0034 -0.0028 3341 LYS 68 CE -0.0038 -0.0045 -0.0037 3342 LYS 68 HE1 -0.0023 -0.0042 -0.0037 3343 LYS 68 HE2 -0.0041 -0.0056 -0.0046 3344 LYS 68 NZ -0.0044 -0.0034 -0.0028 3345 LYS 68 HZ1 -0.0041 -0.0036 -0.0030 3346 LYS 68 HZ2 -0.0059 -0.0036 -0.0027 3347 LYS 68 HZ3 -0.0040 -0.0024 -0.0020 3348 LYS 68 C -0.0020 -0.0042 -0.0037 3349 LYS 68 O -0.0006 -0.0042 -0.0039 3350 SER 69 N -0.0026 -0.0029 -0.0026 3351 SER 69 HN -0.0039 -0.0029 -0.0024 3352 SER 69 CA -0.0015 -0.0015 -0.0016 3353 SER 69 HA -0.0015 -0.0014 -0.0015 3354 SER 69 CB -0.0025 -0.0001 -0.0004 3355 SER 69 HB1 -0.0029 -0.0004 -0.0006 3356 SER 69 HB2 -0.0016 0.0009 0.0003 3357 SER 69 OG -0.0041 0.0001 -0.0000 3358 SER 69 HG1 -0.0040 0.0002 0.0001 3359 SER 69 C 0.0003 -0.0016 -0.0019 3360 SER 69 O 0.0018 -0.0011 -0.0017 3361 VAL 70 N -0.0002 -0.0024 -0.0004 3362 VAL 70 HN -0.0007 -0.0024 -0.0005 3363 VAL 70 CA 0.0010 -0.0025 -0.0003 3364 VAL 70 HA 0.0015 -0.0018 -0.0001 3365 VAL 70 CB 0.0014 -0.0026 -0.0002 3366 VAL 70 HB 0.0008 -0.0032 -0.0004 3367 VAL 70 CG1 0.0027 -0.0032 -0.0001 3368 VAL 70 HG11 0.0028 -0.0041 -0.0002 3369 VAL 70 HG12 0.0033 -0.0027 0.0001 3370 VAL 70 HG13 0.0030 -0.0031 -0.0000 3371 VAL 70 CG2 0.0014 -0.0014 -0.0000 3372 VAL 70 HG21 0.0016 -0.0014 0.0000 3373 VAL 70 HG22 0.0021 -0.0009 0.0001 3374 VAL 70 HG23 0.0005 -0.0010 -0.0001 3375 VAL 70 C 0.0015 -0.0036 -0.0003 3376 VAL 70 O 0.0023 -0.0035 -0.0002 3377 GLU 71 N 0.0009 -0.0046 -0.0006 3378 GLU 71 HN 0.0003 -0.0047 -0.0007 3379 GLU 71 CA 0.0012 -0.0056 -0.0007 3380 GLU 71 HA 0.0021 -0.0059 -0.0006 3381 GLU 71 CB 0.0005 -0.0067 -0.0009 3382 GLU 71 HB1 -0.0005 -0.0065 -0.0011 3383 GLU 71 HB2 0.0006 -0.0074 -0.0010 3384 GLU 71 CG 0.0008 -0.0072 -0.0010 3385 GLU 71 HG1 0.0017 -0.0075 -0.0009 3386 GLU 71 HG2 0.0007 -0.0064 -0.0009 3387 GLU 71 CD 0.0000 -0.0081 -0.0012 3388 GLU 71 OE1 -0.0004 -0.0088 -0.0014 3389 GLU 71 OE2 -0.0002 -0.0082 -0.0013 3390 GLU 71 C 0.0011 -0.0055 -0.0007 3391 GLU 71 O 0.0017 -0.0060 -0.0006 3392 THR 72 N 0.0005 -0.0031 0.0012 3393 THR 72 HN 0.0002 -0.0029 0.0012 3394 THR 72 CA 0.0004 -0.0030 0.0012 3395 THR 72 HA 0.0005 -0.0035 0.0011 3396 THR 72 CB -0.0002 -0.0027 0.0012 3397 THR 72 HB -0.0002 -0.0022 0.0012 3398 THR 72 OG1 -0.0007 -0.0030 0.0010 3399 THR 72 HG1 -0.0007 -0.0031 0.0010 3400 THR 72 CG2 -0.0002 -0.0025 0.0012 3401 THR 72 HG21 0.0001 -0.0029 0.0012 3402 THR 72 HG22 -0.0006 -0.0024 0.0011 3403 THR 72 HG23 0.0001 -0.0021 0.0013 3404 THR 72 C 0.0010 -0.0027 0.0014 3405 THR 72 O 0.0013 -0.0029 0.0014 3406 ILE 73 N 0.0012 -0.0022 0.0015 3407 ILE 73 HN 0.0009 -0.0021 0.0015 3408 ILE 73 CA 0.0017 -0.0018 0.0017 3409 ILE 73 HA 0.0016 -0.0017 0.0017 3410 ILE 73 CB 0.0017 -0.0013 0.0019 3411 ILE 73 HB 0.0017 -0.0014 0.0018 3412 ILE 73 CG2 0.0023 -0.0009 0.0021 3413 ILE 73 HG21 0.0023 -0.0007 0.0021 3414 ILE 73 HG22 0.0022 -0.0005 0.0021 3415 ILE 73 HG23 0.0027 -0.0011 0.0021 3416 ILE 73 CG1 0.0011 -0.0008 0.0018 3417 ILE 73 HG11 0.0008 -0.0011 0.0017 3418 ILE 73 HG12 0.0012 -0.0004 0.0020 3419 ILE 73 CD 0.0009 -0.0007 0.0018 3420 ILE 73 HD1 0.0006 -0.0003 0.0018 3421 ILE 73 HD2 0.0013 -0.0007 0.0019 3422 ILE 73 HD3 0.0006 -0.0011 0.0017 3423 ILE 73 C 0.0023 -0.0022 0.0018 3424 ILE 73 O 0.0027 -0.0021 0.0019 3425 LYS 74 N 0.0008 -0.0025 0.0019 3426 LYS 74 HN 0.0011 -0.0028 0.0023 3427 LYS 74 CA 0.0007 -0.0024 0.0018 3428 LYS 74 HA 0.0006 -0.0023 0.0012 3429 LYS 74 CB 0.0012 -0.0029 0.0021 3430 LYS 74 HB1 0.0012 -0.0029 0.0028 3431 LYS 74 HB2 0.0011 -0.0027 0.0021 3432 LYS 74 CG 0.0017 -0.0034 0.0017 3433 LYS 74 HG1 0.0016 -0.0033 0.0011 3434 LYS 74 HG2 0.0019 -0.0035 0.0018 3435 LYS 74 CD 0.0022 -0.0039 0.0020 3436 LYS 74 HD1 0.0026 -0.0042 0.0017 3437 LYS 74 HD2 0.0022 -0.0038 0.0027 3438 LYS 74 CE 0.0021 -0.0038 0.0019 3439 LYS 74 HE1 0.0017 -0.0034 0.0020 3440 LYS 74 HE2 0.0021 -0.0038 0.0012 3441 LYS 74 NZ 0.0025 -0.0041 0.0022 3442 LYS 74 HZ1 0.0023 -0.0040 0.0026 3443 LYS 74 HZ2 0.0027 -0.0044 0.0018 3444 LYS 74 HZ3 0.0028 -0.0044 0.0026 3445 LYS 74 C 0.0001 -0.0018 0.0023 3446 LYS 74 O -0.0002 -0.0015 0.0019 3447 GLU 75 N -0.0000 -0.0017 0.0029 3448 GLU 75 HN 0.0003 -0.0020 0.0032 3449 GLU 75 CA -0.0005 -0.0012 0.0034 3450 GLU 75 HA -0.0005 -0.0012 0.0034 3451 GLU 75 CB -0.0005 -0.0011 0.0042 3452 GLU 75 HB1 -0.0001 -0.0015 0.0045 3453 GLU 75 HB2 -0.0005 -0.0011 0.0042 3454 GLU 75 CG -0.0011 -0.0005 0.0046 3455 GLU 75 HG1 -0.0011 -0.0005 0.0052 3456 GLU 75 HG2 -0.0015 -0.0002 0.0043 3457 GLU 75 CD -0.0011 -0.0005 0.0048 3458 GLU 75 OE1 -0.0007 -0.0009 0.0048 3459 GLU 75 OE2 -0.0016 -0.0000 0.0048 3460 GLU 75 C -0.0010 -0.0007 0.0029 3461 GLU 75 O -0.0014 -0.0003 0.0027 3462 ASP 76 N -0.0006 -0.0004 0.0031 3463 ASP 76 HN -0.0005 -0.0004 0.0030 3464 ASP 76 CA -0.0008 -0.0004 0.0029 3465 ASP 76 HA -0.0010 -0.0004 0.0030 3466 ASP 76 CB -0.0008 -0.0006 0.0027 3467 ASP 76 HB1 -0.0006 -0.0006 0.0027 3468 ASP 76 HB2 -0.0007 -0.0006 0.0026 3469 ASP 76 CG -0.0010 -0.0006 0.0026 3470 ASP 76 OD1 -0.0011 -0.0005 0.0027 3471 ASP 76 OD2 -0.0010 -0.0007 0.0023 3472 ASP 76 C -0.0010 -0.0004 0.0029 3473 ASP 76 O -0.0012 -0.0004 0.0029 3474 MET 77 N -0.0009 -0.0005 0.0029 3475 MET 77 HN -0.0007 -0.0005 0.0029 3476 MET 77 CA -0.0010 -0.0005 0.0028 3477 MET 77 HA -0.0011 -0.0005 0.0027 3478 MET 77 CB -0.0007 -0.0005 0.0028 3479 MET 77 HB1 -0.0006 -0.0005 0.0029 3480 MET 77 HB2 -0.0008 -0.0005 0.0028 3481 MET 77 CG -0.0006 -0.0006 0.0025 3482 MET 77 HG1 -0.0008 -0.0007 0.0024 3483 MET 77 HG2 -0.0005 -0.0006 0.0025 3484 MET 77 SD -0.0004 -0.0007 0.0024 3485 MET 77 CE -0.0004 -0.0008 0.0021 3486 MET 77 HE1 -0.0004 -0.0008 0.0021 3487 MET 77 HE2 -0.0002 -0.0009 0.0021 3488 MET 77 HE3 -0.0005 -0.0009 0.0020 3489 MET 77 C -0.0011 -0.0004 0.0030 3490 MET 77 O -0.0013 -0.0004 0.0030 3491 ASN 78 N -0.0019 0.0008 0.0022 3492 ASN 78 HN -0.0017 0.0006 0.0026 3493 ASN 78 CA -0.0020 0.0013 0.0022 3494 ASN 78 HA -0.0022 0.0012 0.0017 3495 ASN 78 CB -0.0018 0.0013 0.0026 3496 ASN 78 HB1 -0.0017 0.0013 0.0030 3497 ASN 78 HB2 -0.0019 0.0017 0.0026 3498 ASN 78 CG -0.0017 0.0007 0.0026 3499 ASN 78 OD1 -0.0018 0.0004 0.0021 3500 ASN 78 ND2 -0.0015 0.0006 0.0030 3501 ASN 78 HD21 -0.0014 0.0009 0.0034 3502 ASN 78 HD22 -0.0014 0.0003 0.0030 3503 ASN 78 C -0.0021 0.0019 0.0022 3504 ASN 78 O -0.0023 0.0022 0.0019 3505 VAL 79 N -0.0020 0.0020 0.0026 3506 VAL 79 HN -0.0018 0.0016 0.0028 3507 VAL 79 CA -0.0021 0.0026 0.0027 3508 VAL 79 HA -0.0022 0.0029 0.0027 3509 VAL 79 CB -0.0019 0.0027 0.0033 3510 VAL 79 HB -0.0018 0.0024 0.0033 3511 VAL 79 CG1 -0.0020 0.0033 0.0033 3512 VAL 79 HG11 -0.0020 0.0037 0.0034 3513 VAL 79 HG12 -0.0018 0.0034 0.0037 3514 VAL 79 HG13 -0.0021 0.0034 0.0030 3515 VAL 79 CG2 -0.0017 0.0026 0.0037 3516 VAL 79 HG21 -0.0016 0.0022 0.0037 3517 VAL 79 HG22 -0.0015 0.0027 0.0041 3518 VAL 79 HG23 -0.0017 0.0030 0.0037 3519 VAL 79 C -0.0023 0.0027 0.0022 3520 VAL 79 O -0.0025 0.0031 0.0019 3521 LYS 80 N -0.0028 0.0009 0.0030 3522 LYS 80 HN -0.0025 0.0007 0.0031 3523 LYS 80 CA -0.0031 0.0009 0.0026 3524 LYS 80 HA -0.0033 0.0011 0.0026 3525 LYS 80 CB -0.0029 0.0005 0.0024 3526 LYS 80 HB1 -0.0026 0.0002 0.0024 3527 LYS 80 HB2 -0.0031 0.0004 0.0021 3528 LYS 80 CG -0.0026 0.0005 0.0028 3529 LYS 80 HG1 -0.0024 0.0005 0.0030 3530 LYS 80 HG2 -0.0025 0.0002 0.0025 3531 LYS 80 CD -0.0029 0.0010 0.0029 3532 LYS 80 HD1 -0.0032 0.0010 0.0026 3533 LYS 80 HD2 -0.0030 0.0013 0.0032 3534 LYS 80 CE -0.0027 0.0010 0.0032 3535 LYS 80 HE1 -0.0025 0.0010 0.0035 3536 LYS 80 HE2 -0.0026 0.0007 0.0030 3537 LYS 80 NZ -0.0030 0.0013 0.0031 3538 LYS 80 HZ1 -0.0030 0.0016 0.0034 3539 LYS 80 HZ2 -0.0030 0.0012 0.0031 3540 LYS 80 HZ3 -0.0033 0.0014 0.0029 3541 LYS 80 C -0.0034 0.0008 0.0022 3542 LYS 80 O -0.0037 0.0009 0.0019 3543 PHE 81 N -0.0032 0.0006 0.0022 3544 PHE 81 HN -0.0029 0.0004 0.0024 3545 PHE 81 CA -0.0034 0.0005 0.0018 3546 PHE 81 HA -0.0037 0.0005 0.0015 3547 PHE 81 CB -0.0031 0.0000 0.0017 3548 PHE 81 HB1 -0.0029 -0.0002 0.0016 3549 PHE 81 HB2 -0.0029 0.0000 0.0019 3550 PHE 81 CG -0.0034 -0.0001 0.0012 3551 PHE 81 CD1 -0.0037 -0.0002 0.0008 3552 PHE 81 HD1 -0.0037 -0.0001 0.0008 3553 PHE 81 CE1 -0.0039 -0.0003 0.0004 3554 PHE 81 HE1 -0.0042 -0.0003 0.0002 3555 PHE 81 CZ -0.0039 -0.0003 0.0004 3556 PHE 81 HZ -0.0041 -0.0004 0.0002 3557 PHE 81 CD2 -0.0033 -0.0002 0.0012 3558 PHE 81 HD2 -0.0031 -0.0002 0.0015 3559 PHE 81 CE2 -0.0036 -0.0003 0.0008 3560 PHE 81 HE2 -0.0035 -0.0003 0.0008 3561 PHE 81 C -0.0036 0.0008 0.0020 3562 PHE 81 O -0.0040 0.0010 0.0017 3563 PHE 82 N -0.0025 0.0033 -0.0003 3564 PHE 82 HN -0.0024 0.0030 0.0000 3565 PHE 82 CA -0.0027 0.0038 -0.0009 3566 PHE 82 HA -0.0031 0.0038 -0.0013 3567 PHE 82 CB -0.0029 0.0036 -0.0010 3568 PHE 82 HB1 -0.0025 0.0037 -0.0006 3569 PHE 82 HB2 -0.0030 0.0041 -0.0014 3570 PHE 82 CG -0.0034 0.0029 -0.0011 3571 PHE 82 CD1 -0.0040 0.0028 -0.0017 3572 PHE 82 HD1 -0.0041 0.0033 -0.0021 3573 PHE 82 CE1 -0.0045 0.0021 -0.0017 3574 PHE 82 HE1 -0.0050 0.0021 -0.0022 3575 PHE 82 CZ -0.0044 0.0015 -0.0011 3576 PHE 82 HZ -0.0048 0.0009 -0.0011 3577 PHE 82 CD2 -0.0033 0.0023 -0.0005 3578 PHE 82 HD2 -0.0029 0.0023 -0.0000 3579 PHE 82 CE2 -0.0038 0.0016 -0.0006 3580 PHE 82 HE2 -0.0037 0.0011 -0.0001 3581 PHE 82 C -0.0023 0.0046 -0.0010 3582 PHE 82 O -0.0025 0.0051 -0.0015 3583 ASN 83 N -0.0016 0.0048 -0.0004 3584 ASN 83 HN -0.0016 0.0043 -0.0000 3585 ASN 83 CA -0.0011 0.0055 -0.0004 3586 ASN 83 HA -0.0008 0.0054 0.0001 3587 ASN 83 CB -0.0013 0.0059 -0.0008 3588 ASN 83 HB1 -0.0015 0.0056 -0.0008 3589 ASN 83 HB2 -0.0017 0.0061 -0.0014 3590 ASN 83 CG -0.0008 0.0066 -0.0008 3591 ASN 83 OD1 -0.0008 0.0072 -0.0012 3592 ASN 83 ND2 -0.0002 0.0066 -0.0001 3593 ASN 83 HD21 -0.0002 0.0061 0.0002 3594 ASN 83 HD22 0.0001 0.0070 -0.0001 3595 ASN 83 C -0.0009 0.0059 -0.0005 3596 ASN 83 O -0.0008 0.0066 -0.0008 3597 SER 84 N -0.0009 0.0067 -0.0012 3598 SER 84 HN -0.0013 0.0061 -0.0006 3599 SER 84 CA -0.0010 0.0069 -0.0016 3600 SER 84 HA -0.0014 0.0063 -0.0012 3601 SER 84 CB 0.0000 0.0076 -0.0011 3602 SER 84 HB1 0.0005 0.0083 -0.0016 3603 SER 84 HB2 -0.0001 0.0077 -0.0014 3604 SER 84 OG 0.0003 0.0074 0.0001 3605 SER 84 HG1 0.0007 0.0077 0.0002 3606 SER 84 C -0.0013 0.0071 -0.0029 3607 SER 84 O -0.0010 0.0076 -0.0034 3608 ASN 85 N -0.0020 0.0067 -0.0035 3609 ASN 85 HN -0.0022 0.0064 -0.0031 3610 ASN 85 CA -0.0024 0.0069 -0.0047 3611 ASN 85 HA -0.0020 0.0074 -0.0051 3612 ASN 85 CB -0.0022 0.0073 -0.0051 3613 ASN 85 HB1 -0.0014 0.0078 -0.0047 3614 ASN 85 HB2 -0.0026 0.0067 -0.0047 3615 ASN 85 CG -0.0024 0.0076 -0.0065 3616 ASN 85 OD1 -0.0032 0.0072 -0.0071 3617 ASN 85 ND2 -0.0018 0.0085 -0.0070 3618 ASN 85 HD21 -0.0011 0.0089 -0.0065 3619 ASN 85 HD22 -0.0020 0.0086 -0.0079 3620 ASN 85 C -0.0034 0.0060 -0.0050 3621 ASN 85 O -0.0040 0.0054 -0.0048 3622 LYS 86 N -0.0026 0.0067 -0.0074 3623 LYS 86 HN -0.0019 0.0068 -0.0081 3624 LYS 86 CA -0.0039 0.0071 -0.0077 3625 LYS 86 HA -0.0044 0.0070 -0.0071 3626 LYS 86 CB -0.0039 0.0075 -0.0092 3627 LYS 86 HB1 -0.0032 0.0074 -0.0093 3628 LYS 86 HB2 -0.0037 0.0077 -0.0099 3629 LYS 86 CG -0.0053 0.0079 -0.0095 3630 LYS 86 HG1 -0.0060 0.0079 -0.0093 3631 LYS 86 HG2 -0.0055 0.0077 -0.0088 3632 LYS 86 CD -0.0054 0.0083 -0.0109 3633 LYS 86 HD1 -0.0063 0.0085 -0.0111 3634 LYS 86 HD2 -0.0044 0.0082 -0.0112 3635 LYS 86 CE -0.0054 0.0086 -0.0118 3636 LYS 86 HE1 -0.0053 0.0088 -0.0129 3637 LYS 86 HE2 -0.0047 0.0083 -0.0115 3638 LYS 86 NZ -0.0068 0.0088 -0.0118 3639 LYS 86 HZ1 -0.0068 0.0089 -0.0121 3640 LYS 86 HZ2 -0.0071 0.0085 -0.0108 3641 LYS 86 HZ3 -0.0075 0.0090 -0.0121 3642 LYS 86 C -0.0046 0.0072 -0.0076 3643 LYS 86 O -0.0057 0.0072 -0.0070 3644 LYS 87 N -0.0040 0.0071 -0.0079 3645 LYS 87 HN -0.0031 0.0071 -0.0084 3646 LYS 87 CA -0.0047 0.0072 -0.0078 3647 LYS 87 HA -0.0057 0.0075 -0.0081 3648 LYS 87 CB -0.0038 0.0073 -0.0086 3649 LYS 87 HB1 -0.0035 0.0075 -0.0095 3650 LYS 87 HB2 -0.0029 0.0070 -0.0081 3651 LYS 87 CG -0.0045 0.0076 -0.0090 3652 LYS 87 HG1 -0.0039 0.0077 -0.0099 3653 LYS 87 HG2 -0.0044 0.0073 -0.0082 3654 LYS 87 CD -0.0060 0.0079 -0.0092 3655 LYS 87 HD1 -0.0066 0.0077 -0.0082 3656 LYS 87 HD2 -0.0063 0.0081 -0.0097 3657 LYS 87 CE -0.0065 0.0082 -0.0099 3658 LYS 87 HE1 -0.0073 0.0085 -0.0106 3659 LYS 87 HE2 -0.0056 0.0082 -0.0104 3660 LYS 87 NZ -0.0069 0.0080 -0.0089 3661 LYS 87 HZ1 -0.0074 0.0078 -0.0081 3662 LYS 87 HZ2 -0.0076 0.0082 -0.0094 3663 LYS 87 HZ3 -0.0061 0.0078 -0.0088 3664 LYS 87 C -0.0050 0.0069 -0.0064 3665 LYS 87 O -0.0061 0.0070 -0.0061 3666 LYS 88 N -0.0047 0.0061 -0.0057 3667 LYS 88 HN -0.0041 0.0064 -0.0055 3668 LYS 88 CA -0.0049 0.0056 -0.0053 3669 LYS 88 HA -0.0052 0.0056 -0.0056 3670 LYS 88 CB -0.0041 0.0056 -0.0047 3671 LYS 88 HB1 -0.0036 0.0061 -0.0048 3672 LYS 88 HB2 -0.0038 0.0054 -0.0042 3673 LYS 88 CG -0.0043 0.0053 -0.0045 3674 LYS 88 HG1 -0.0047 0.0047 -0.0042 3675 LYS 88 HG2 -0.0046 0.0055 -0.0050 3676 LYS 88 CD -0.0036 0.0054 -0.0039 3677 LYS 88 HD1 -0.0033 0.0051 -0.0034 3678 LYS 88 HD2 -0.0038 0.0051 -0.0038 3679 LYS 88 CE -0.0030 0.0061 -0.0042 3680 LYS 88 HE1 -0.0033 0.0064 -0.0048 3681 LYS 88 HE2 -0.0027 0.0064 -0.0043 3682 LYS 88 NZ -0.0024 0.0061 -0.0038 3683 LYS 88 HZ1 -0.0020 0.0059 -0.0032 3684 LYS 88 HZ2 -0.0026 0.0059 -0.0037 3685 LYS 88 HZ3 -0.0021 0.0067 -0.0041 3686 LYS 88 C -0.0053 0.0048 -0.0049 3687 LYS 88 O -0.0059 0.0043 -0.0048 3688 ARG 89 N -0.0051 0.0048 -0.0046 3689 ARG 89 HN -0.0046 0.0051 -0.0046 3690 ARG 89 CA -0.0055 0.0041 -0.0042 3691 ARG 89 HA -0.0056 0.0037 -0.0039 3692 ARG 89 CB -0.0050 0.0041 -0.0038 3693 ARG 89 HB1 -0.0043 0.0044 -0.0036 3694 ARG 89 HB2 -0.0050 0.0044 -0.0042 3695 ARG 89 CG -0.0052 0.0034 -0.0032 3696 ARG 89 HG1 -0.0058 0.0030 -0.0033 3697 ARG 89 HG2 -0.0049 0.0031 -0.0027 3698 ARG 89 CD -0.0052 0.0033 -0.0030 3699 ARG 89 HD1 -0.0056 0.0034 -0.0035 3700 ARG 89 HD2 -0.0053 0.0027 -0.0026 3701 ARG 89 NE -0.0043 0.0037 -0.0028 3702 ARG 89 HE -0.0039 0.0037 -0.0025 3703 ARG 89 CZ -0.0041 0.0041 -0.0030 3704 ARG 89 NH1 -0.0046 0.0040 -0.0033 3705 ARG 89 HH11 -0.0051 0.0036 -0.0034 3706 ARG 89 HH12 -0.0044 0.0043 -0.0035 3707 ARG 89 NH2 -0.0033 0.0045 -0.0028 3708 ARG 89 HH21 -0.0030 0.0047 -0.0027 3709 ARG 89 HH22 -0.0031 0.0049 -0.0030 3710 ARG 89 C -0.0062 0.0041 -0.0048 3711 ARG 89 O -0.0068 0.0035 -0.0047 3712 ASP 90 N -0.0064 0.0055 -0.0068 3713 ASP 90 HN -0.0061 0.0056 -0.0070 3714 ASP 90 CA -0.0068 0.0057 -0.0070 3715 ASP 90 HA -0.0071 0.0057 -0.0070 3716 ASP 90 CB -0.0067 0.0059 -0.0075 3717 ASP 90 HB1 -0.0064 0.0058 -0.0075 3718 ASP 90 HB2 -0.0070 0.0060 -0.0076 3719 ASP 90 CG -0.0066 0.0060 -0.0078 3720 ASP 90 OD1 -0.0069 0.0060 -0.0077 3721 ASP 90 OD2 -0.0064 0.0061 -0.0082 3722 ASP 90 C -0.0071 0.0056 -0.0068 3723 ASP 90 O -0.0075 0.0057 -0.0067 3724 ASP 91 N -0.0068 0.0056 -0.0067 3725 ASP 91 HN -0.0064 0.0055 -0.0067 3726 ASP 91 CA -0.0070 0.0055 -0.0065 3727 ASP 91 HA -0.0073 0.0056 -0.0066 3728 ASP 91 CB -0.0066 0.0054 -0.0065 3729 ASP 91 HB1 -0.0062 0.0053 -0.0063 3730 ASP 91 HB2 -0.0067 0.0054 -0.0062 3731 ASP 91 CG -0.0065 0.0056 -0.0069 3732 ASP 91 OD1 -0.0066 0.0058 -0.0073 3733 ASP 91 OD2 -0.0062 0.0056 -0.0069 3734 ASP 91 C -0.0072 0.0053 -0.0060 3735 ASP 91 O -0.0075 0.0054 -0.0058 3736 PHE 92 N -0.0054 0.0055 -0.0051 3737 PHE 92 HN -0.0048 0.0057 -0.0051 3738 PHE 92 CA -0.0056 0.0047 -0.0046 3739 PHE 92 HA -0.0060 0.0045 -0.0045 3740 PHE 92 CB -0.0048 0.0045 -0.0040 3741 PHE 92 HB1 -0.0045 0.0047 -0.0041 3742 PHE 92 HB2 -0.0044 0.0047 -0.0040 3743 PHE 92 CG -0.0049 0.0038 -0.0034 3744 PHE 92 CD1 -0.0052 0.0034 -0.0031 3745 PHE 92 HD1 -0.0053 0.0036 -0.0034 3746 PHE 92 CE1 -0.0052 0.0027 -0.0025 3747 PHE 92 HE1 -0.0053 0.0024 -0.0023 3748 PHE 92 CZ -0.0049 0.0024 -0.0021 3749 PHE 92 HZ -0.0050 0.0019 -0.0017 3750 PHE 92 CD2 -0.0048 0.0035 -0.0030 3751 PHE 92 HD2 -0.0046 0.0037 -0.0032 3752 PHE 92 CE2 -0.0048 0.0028 -0.0024 3753 PHE 92 HE2 -0.0047 0.0026 -0.0022 3754 PHE 92 C -0.0062 0.0044 -0.0045 3755 PHE 92 O -0.0067 0.0039 -0.0043 3756 GLU 93 N -0.0059 0.0046 -0.0046 3757 GLU 93 HN -0.0054 0.0050 -0.0047 3758 GLU 93 CA -0.0065 0.0044 -0.0046 3759 GLU 93 HA -0.0066 0.0039 -0.0042 3760 GLU 93 CB -0.0060 0.0047 -0.0047 3761 GLU 93 HB1 -0.0059 0.0053 -0.0051 3762 GLU 93 HB2 -0.0065 0.0045 -0.0047 3763 GLU 93 CG -0.0052 0.0045 -0.0042 3764 GLU 93 HG1 -0.0054 0.0039 -0.0037 3765 GLU 93 HG2 -0.0048 0.0046 -0.0041 3766 GLU 93 CD -0.0048 0.0048 -0.0042 3767 GLU 93 OE1 -0.0050 0.0051 -0.0046 3768 GLU 93 OE2 -0.0042 0.0045 -0.0037 3769 GLU 93 C -0.0073 0.0046 -0.0051 3770 GLU 93 O -0.0079 0.0042 -0.0051 3771 LYS 94 N -0.0052 0.0050 -0.0070 3772 LYS 94 HN -0.0053 0.0047 -0.0071 3773 LYS 94 CA -0.0050 0.0051 -0.0066 3774 LYS 94 HA -0.0049 0.0053 -0.0066 3775 LYS 94 CB -0.0050 0.0048 -0.0064 3776 LYS 94 HB1 -0.0052 0.0046 -0.0065 3777 LYS 94 HB2 -0.0051 0.0046 -0.0063 3778 LYS 94 CG -0.0049 0.0049 -0.0060 3779 LYS 94 HG1 -0.0048 0.0050 -0.0059 3780 LYS 94 HG2 -0.0048 0.0051 -0.0061 3781 LYS 94 CD -0.0049 0.0046 -0.0058 3782 LYS 94 HD1 -0.0050 0.0044 -0.0056 3783 LYS 94 HD2 -0.0048 0.0047 -0.0055 3784 LYS 94 CE -0.0051 0.0044 -0.0060 3785 LYS 94 HE1 -0.0052 0.0043 -0.0062 3786 LYS 94 HE2 -0.0051 0.0041 -0.0057 3787 LYS 94 NZ -0.0050 0.0046 -0.0061 3788 LYS 94 HZ1 -0.0051 0.0044 -0.0060 3789 LYS 94 HZ2 -0.0049 0.0048 -0.0059 3790 LYS 94 HZ3 -0.0051 0.0046 -0.0064 3791 LYS 94 C -0.0049 0.0052 -0.0064 3792 LYS 94 O -0.0047 0.0055 -0.0062 3793 LEU 95 N -0.0050 0.0050 -0.0065 3794 LEU 95 HN -0.0051 0.0048 -0.0066 3795 LEU 95 CA -0.0049 0.0052 -0.0064 3796 LEU 95 HA -0.0048 0.0052 -0.0061 3797 LEU 95 CB -0.0050 0.0049 -0.0065 3798 LEU 95 HB1 -0.0051 0.0049 -0.0068 3799 LEU 95 HB2 -0.0049 0.0051 -0.0064 3800 LEU 95 CG -0.0051 0.0045 -0.0062 3801 LEU 95 HG -0.0052 0.0044 -0.0063 3802 LEU 95 CD1 -0.0052 0.0043 -0.0063 3803 LEU 95 HD11 -0.0053 0.0040 -0.0061 3804 LEU 95 HD12 -0.0054 0.0042 -0.0066 3805 LEU 95 HD13 -0.0052 0.0044 -0.0064 3806 LEU 95 CD2 -0.0050 0.0045 -0.0058 3807 LEU 95 HD21 -0.0050 0.0042 -0.0057 3808 LEU 95 HD22 -0.0049 0.0047 -0.0057 3809 LEU 95 HD23 -0.0049 0.0047 -0.0058 3810 LEU 95 C -0.0048 0.0056 -0.0066 3811 LEU 95 O -0.0046 0.0058 -0.0064 3812 THR 96 N -0.0046 0.0063 -0.0052 3813 THR 96 HN -0.0044 0.0065 -0.0051 3814 THR 96 CA -0.0043 0.0060 -0.0053 3815 THR 96 HA -0.0046 0.0056 -0.0054 3816 THR 96 CB -0.0037 0.0057 -0.0054 3817 THR 96 HB -0.0035 0.0054 -0.0055 3818 THR 96 OG1 -0.0033 0.0062 -0.0053 3819 THR 96 HG1 -0.0030 0.0061 -0.0054 3820 THR 96 CG2 -0.0038 0.0054 -0.0055 3821 THR 96 HG21 -0.0033 0.0053 -0.0056 3822 THR 96 HG22 -0.0040 0.0050 -0.0056 3823 THR 96 HG23 -0.0041 0.0056 -0.0054 3824 THR 96 C -0.0042 0.0062 -0.0053 3825 THR 96 O -0.0041 0.0059 -0.0053 3826 ASN 97 N -0.0041 0.0068 -0.0051 3827 ASN 97 HN -0.0041 0.0070 -0.0050 3828 ASN 97 CA -0.0040 0.0070 -0.0050 3829 ASN 97 HA -0.0038 0.0067 -0.0052 3830 ASN 97 CB -0.0035 0.0075 -0.0049 3831 ASN 97 HB1 -0.0037 0.0078 -0.0049 3832 ASN 97 HB2 -0.0034 0.0078 -0.0049 3833 ASN 97 CG -0.0029 0.0073 -0.0051 3834 ASN 97 OD1 -0.0025 0.0072 -0.0051 3835 ASN 97 ND2 -0.0028 0.0073 -0.0051 3836 ASN 97 HD21 -0.0032 0.0074 -0.0050 3837 ASN 97 HD22 -0.0024 0.0072 -0.0051 3838 ASN 97 C -0.0045 0.0072 -0.0049 3839 ASN 97 O -0.0044 0.0073 -0.0049 3840 TYR 98 N 0.0058 0.0083 -0.0102 3841 TYR 98 HN 0.0040 0.0077 -0.0105 3842 TYR 98 CA 0.0070 0.0086 -0.0090 3843 TYR 98 HA 0.0080 0.0088 -0.0074 3844 TYR 98 CB 0.0053 0.0078 -0.0080 3845 TYR 98 HB1 0.0042 0.0076 -0.0096 3846 TYR 98 HB2 0.0064 0.0081 -0.0072 3847 TYR 98 CG 0.0036 0.0069 -0.0060 3848 TYR 98 CD1 0.0045 0.0069 -0.0039 3849 TYR 98 HD1 0.0064 0.0076 -0.0039 3850 TYR 98 CE1 0.0031 0.0061 -0.0018 3851 TYR 98 HE1 0.0038 0.0061 -0.0002 3852 TYR 98 CZ 0.0007 0.0051 -0.0019 3853 TYR 98 OH -0.0010 0.0042 -0.0000 3854 TYR 98 HH -0.0024 0.0037 -0.0004 3855 TYR 98 CD2 0.0012 0.0059 -0.0060 3856 TYR 98 HD2 0.0003 0.0057 -0.0075 3857 TYR 98 CE2 -0.0003 0.0050 -0.0041 3858 TYR 98 HE2 -0.0022 0.0043 -0.0042 3859 TYR 98 C 0.0089 0.0096 -0.0108 3860 TYR 98 O 0.0082 0.0097 -0.0129 3861 SER 99 N 0.0111 0.0103 -0.0097 3862 SER 99 HN 0.0113 0.0101 -0.0078 3863 SER 99 CA 0.0129 0.0112 -0.0112 3864 SER 99 HA 0.0125 0.0114 -0.0132 3865 SER 99 CB 0.0155 0.0121 -0.0102 3866 SER 99 HB1 0.0152 0.0120 -0.0102 3867 SER 99 HB2 0.0159 0.0120 -0.0081 3868 SER 99 OG 0.0173 0.0131 -0.0116 3869 SER 99 HG1 0.0189 0.0136 -0.0110 3870 SER 99 C 0.0131 0.0113 -0.0108 3871 SER 99 O 0.0133 0.0110 -0.0086 3872 VAL 100 N 0.0146 0.0109 -0.0091 3873 VAL 100 HN 0.0154 0.0102 -0.0105 3874 VAL 100 CA 0.0133 0.0107 -0.0077 3875 VAL 100 HA 0.0121 0.0103 -0.0065 3876 VAL 100 CB 0.0129 0.0087 -0.0085 3877 VAL 100 HB 0.0119 0.0086 -0.0073 3878 VAL 100 CG1 0.0125 0.0065 -0.0095 3879 VAL 100 HG11 0.0138 0.0063 -0.0111 3880 VAL 100 HG12 0.0117 0.0051 -0.0094 3881 VAL 100 HG13 0.0119 0.0065 -0.0088 3882 VAL 100 CG2 0.0145 0.0093 -0.0100 3883 VAL 100 HG21 0.0157 0.0098 -0.0111 3884 VAL 100 HG22 0.0147 0.0105 -0.0094 3885 VAL 100 HG23 0.0144 0.0078 -0.0109 3886 VAL 100 C 0.0136 0.0127 -0.0068 3887 VAL 100 O 0.0125 0.0127 -0.0055 3888 THR 101 N 0.0153 0.0144 -0.0077 3889 THR 101 HN 0.0162 0.0143 -0.0088 3890 THR 101 CA 0.0157 0.0163 -0.0068 3891 THR 101 HA 0.0147 0.0159 -0.0059 3892 THR 101 CB 0.0174 0.0172 -0.0084 3893 THR 101 HB 0.0175 0.0185 -0.0076 3894 THR 101 OG1 0.0189 0.0180 -0.0096 3895 THR 101 HG1 0.0190 0.0194 -0.0087 3896 THR 101 CG2 0.0177 0.0155 -0.0098 3897 THR 101 HG21 0.0176 0.0139 -0.0106 3898 THR 101 HG22 0.0191 0.0162 -0.0109 3899 THR 101 HG23 0.0169 0.0148 -0.0093 3900 THR 101 C 0.0156 0.0183 -0.0055 3901 THR 101 O 0.0160 0.0200 -0.0048 3902 ASP 102 N 0.0169 0.0155 -0.0079 3903 ASP 102 HN 0.0159 0.0149 -0.0081 3904 ASP 102 CA 0.0171 0.0158 -0.0063 3905 ASP 102 HA 0.0182 0.0165 -0.0061 3906 ASP 102 CB 0.0167 0.0155 -0.0060 3907 ASP 102 HB1 0.0174 0.0159 -0.0067 3908 ASP 102 HB2 0.0156 0.0149 -0.0063 3909 ASP 102 CG 0.0171 0.0159 -0.0043 3910 ASP 102 OD1 0.0162 0.0155 -0.0032 3911 ASP 102 OD2 0.0182 0.0166 -0.0041 3912 ASP 102 C 0.0165 0.0155 -0.0052 3913 ASP 102 O 0.0153 0.0148 -0.0052 3914 LEU 103 N 0.0174 0.0161 -0.0042 3915 LEU 103 HN 0.0184 0.0167 -0.0042 3916 LEU 103 CA 0.0170 0.0160 -0.0031 3917 LEU 103 HA 0.0168 0.0158 -0.0038 3918 LEU 103 CB 0.0183 0.0168 -0.0022 3919 LEU 103 HB1 0.0191 0.0173 -0.0030 3920 LEU 103 HB2 0.0185 0.0170 -0.0013 3921 LEU 103 CG 0.0181 0.0168 -0.0014 3922 LEU 103 HG 0.0174 0.0163 -0.0022 3923 LEU 103 CD1 0.0194 0.0175 -0.0016 3924 LEU 103 HD11 0.0198 0.0177 -0.0028 3925 LEU 103 HD12 0.0202 0.0181 -0.0008 3926 LEU 103 HD13 0.0195 0.0176 -0.0011 3927 LEU 103 CD2 0.0177 0.0166 0.0004 3928 LEU 103 HD21 0.0176 0.0166 0.0009 3929 LEU 103 HD22 0.0185 0.0172 0.0010 3930 LEU 103 HD23 0.0167 0.0160 0.0006 3931 LEU 103 C 0.0158 0.0153 -0.0020 3932 LEU 103 O 0.0148 0.0147 -0.0018 3933 ASN 104 N 0.0163 0.0122 -0.0008 3934 ASN 104 HN 0.0169 0.0126 -0.0009 3935 ASN 104 CA 0.0150 0.0112 0.0004 3936 ASN 104 HA 0.0151 0.0111 0.0015 3937 ASN 104 CB 0.0150 0.0110 0.0015 3938 ASN 104 HB1 0.0143 0.0108 0.0007 3939 ASN 104 HB2 0.0143 0.0104 0.0027 3940 ASN 104 CG 0.0167 0.0118 0.0021 3941 ASN 104 OD1 0.0174 0.0119 0.0037 3942 ASN 104 ND2 0.0175 0.0125 0.0009 3943 ASN 104 HD21 0.0170 0.0125 -0.0004 3944 ASN 104 HD22 0.0186 0.0131 0.0011 3945 ASN 104 C 0.0133 0.0105 -0.0006 3946 ASN 104 O 0.0122 0.0097 0.0002 3947 VAL 105 N 0.0131 0.0107 -0.0024 3948 VAL 105 HN 0.0140 0.0113 -0.0028 3949 VAL 105 CA 0.0116 0.0101 -0.0036 3950 VAL 105 HA 0.0106 0.0094 -0.0028 3951 VAL 105 CB 0.0115 0.0104 -0.0054 3952 VAL 105 HB 0.0124 0.0111 -0.0063 3953 VAL 105 CG1 0.0097 0.0097 -0.0064 3954 VAL 105 HG11 0.0099 0.0100 -0.0077 3955 VAL 105 HG12 0.0092 0.0094 -0.0067 3956 VAL 105 HG13 0.0088 0.0090 -0.0056 3957 VAL 105 CG2 0.0118 0.0105 -0.0048 3958 VAL 105 HG21 0.0108 0.0097 -0.0039 3959 VAL 105 HG22 0.0130 0.0110 -0.0040 3960 VAL 105 HG23 0.0117 0.0107 -0.0060 3961 VAL 105 C 0.0114 0.0102 -0.0042 3962 VAL 105 O 0.0101 0.0095 -0.0044 3963 GLN 106 N 0.0111 0.0112 -0.0048 3964 GLN 106 HN 0.0115 0.0117 -0.0048 3965 GLN 106 CA 0.0112 0.0112 -0.0045 3966 GLN 106 HA 0.0108 0.0109 -0.0050 3967 GLN 106 CB 0.0118 0.0121 -0.0046 3968 GLN 106 HB1 0.0121 0.0124 -0.0040 3969 GLN 106 HB2 0.0117 0.0120 -0.0045 3970 GLN 106 CG 0.0120 0.0126 -0.0056 3971 GLN 106 HG1 0.0116 0.0123 -0.0061 3972 GLN 106 HG2 0.0120 0.0127 -0.0058 3973 GLN 106 CD 0.0125 0.0134 -0.0055 3974 GLN 106 OE1 0.0127 0.0135 -0.0048 3975 GLN 106 NE2 0.0128 0.0140 -0.0063 3976 GLN 106 HE21 0.0126 0.0139 -0.0069 3977 GLN 106 HE22 0.0132 0.0146 -0.0064 3978 GLN 106 C 0.0110 0.0107 -0.0036 3979 GLN 106 O 0.0107 0.0102 -0.0035 3980 ARG 107 N 0.0113 0.0109 -0.0027 3981 ARG 107 HN 0.0115 0.0113 -0.0029 3982 ARG 107 CA 0.0111 0.0103 -0.0018 3983 ARG 107 HA 0.0111 0.0103 -0.0015 3984 ARG 107 CB 0.0115 0.0107 -0.0010 3985 ARG 107 HB1 0.0115 0.0107 -0.0012 3986 ARG 107 HB2 0.0114 0.0103 -0.0003 3987 ARG 107 CG 0.0122 0.0116 -0.0009 3988 ARG 107 HG1 0.0122 0.0116 -0.0009 3989 ARG 107 HG2 0.0123 0.0120 -0.0016 3990 ARG 107 CD 0.0125 0.0119 -0.0001 3991 ARG 107 HD1 0.0125 0.0119 -0.0003 3992 ARG 107 HD2 0.0124 0.0114 0.0006 3993 ARG 107 NE 0.0132 0.0128 0.0000 3994 ARG 107 HE 0.0132 0.0130 -0.0004 3995 ARG 107 CZ 0.0136 0.0132 0.0008 3996 ARG 107 NH1 0.0135 0.0129 0.0014 3997 ARG 107 HH11 0.0131 0.0123 0.0014 3998 ARG 107 HH12 0.0139 0.0132 0.0019 3999 ARG 107 NH2 0.0142 0.0139 0.0009 4000 ARG 107 HH21 0.0143 0.0142 0.0005 4001 ARG 107 HH22 0.0144 0.0141 0.0016 4002 ARG 107 C 0.0104 0.0094 -0.0019 4003 ARG 107 O 0.0101 0.0089 -0.0015 4004 LYS 108 N 0.0108 0.0055 -0.0008 4005 LYS 108 HN 0.0112 0.0055 -0.0007 4006 LYS 108 CA 0.0088 0.0048 -0.0004 4007 LYS 108 HA 0.0089 0.0043 0.0004 4008 LYS 108 CB 0.0081 0.0042 0.0004 4009 LYS 108 HB1 0.0083 0.0048 -0.0004 4010 LYS 108 HB2 0.0065 0.0039 0.0005 4011 LYS 108 CG 0.0092 0.0034 0.0021 4012 LYS 108 HG1 0.0091 0.0028 0.0030 4013 LYS 108 HG2 0.0108 0.0038 0.0019 4014 LYS 108 CD 0.0087 0.0028 0.0029 4015 LYS 108 HD1 0.0098 0.0023 0.0040 4016 LYS 108 HD2 0.0091 0.0034 0.0020 4017 LYS 108 CE 0.0067 0.0020 0.0036 4018 LYS 108 HE1 0.0063 0.0017 0.0039 4019 LYS 108 HE2 0.0057 0.0024 0.0026 4020 LYS 108 NZ 0.0066 0.0011 0.0050 4021 LYS 108 HZ1 0.0074 0.0006 0.0060 4022 LYS 108 HZ2 0.0052 0.0005 0.0055 4023 LYS 108 HZ3 0.0072 0.0013 0.0048 4024 LYS 108 C 0.0075 0.0055 -0.0019 4025 LYS 108 O 0.0061 0.0052 -0.0018 4026 ALA 109 N 0.0078 0.0066 -0.0035 4027 ALA 109 HN 0.0088 0.0068 -0.0037 4028 ALA 109 CA 0.0070 0.0074 -0.0051 4029 ALA 109 HA 0.0054 0.0070 -0.0049 4030 ALA 109 CB 0.0074 0.0083 -0.0065 4031 ALA 109 HB1 0.0070 0.0081 -0.0062 4032 ALA 109 HB2 0.0090 0.0087 -0.0067 4033 ALA 109 HB3 0.0066 0.0089 -0.0077 4034 ALA 109 C 0.0073 0.0076 -0.0053 4035 ALA 109 O 0.0059 0.0076 -0.0057 4036 ILE 110 N 0.0074 0.0063 -0.0047 4037 ILE 110 HN 0.0076 0.0065 -0.0047 4038 ILE 110 CA 0.0074 0.0063 -0.0046 4039 ILE 110 HA 0.0072 0.0063 -0.0049 4040 ILE 110 CB 0.0078 0.0065 -0.0046 4041 ILE 110 HB 0.0080 0.0065 -0.0044 4042 ILE 110 CG2 0.0078 0.0065 -0.0044 4043 ILE 110 HG21 0.0078 0.0064 -0.0041 4044 ILE 110 HG22 0.0075 0.0064 -0.0046 4045 ILE 110 HG23 0.0081 0.0066 -0.0045 4046 ILE 110 CG1 0.0079 0.0067 -0.0050 4047 ILE 110 HG11 0.0079 0.0067 -0.0051 4048 ILE 110 HG12 0.0082 0.0068 -0.0050 4049 ILE 110 CD 0.0076 0.0066 -0.0054 4050 ILE 110 HD1 0.0078 0.0068 -0.0057 4051 ILE 110 HD2 0.0076 0.0066 -0.0053 4052 ILE 110 HD3 0.0074 0.0065 -0.0054 4053 ILE 110 C 0.0071 0.0061 -0.0043 4054 ILE 110 O 0.0069 0.0060 -0.0043 4055 HIS 111 N 0.0072 0.0060 -0.0039 4056 HIS 111 HN 0.0073 0.0061 -0.0039 4057 HIS 111 CA 0.0069 0.0058 -0.0036 4058 HIS 111 HA 0.0070 0.0058 -0.0035 4059 HIS 111 CB 0.0071 0.0058 -0.0032 4060 HIS 111 HB1 0.0074 0.0059 -0.0031 4061 HIS 111 HB2 0.0071 0.0058 -0.0033 4062 HIS 111 ND1 0.0069 0.0056 -0.0026 4063 HIS 111 CG 0.0069 0.0056 -0.0028 4064 HIS 111 CE1 0.0067 0.0054 -0.0023 4065 HIS 111 HE1 0.0067 0.0053 -0.0021 4066 HIS 111 NE2 0.0065 0.0053 -0.0024 4067 HIS 111 HE2 0.0063 0.0052 -0.0022 4068 HIS 111 CD2 0.0066 0.0054 -0.0027 4069 HIS 111 HD2 0.0065 0.0054 -0.0028 4070 HIS 111 C 0.0065 0.0056 -0.0037 4071 HIS 111 O 0.0063 0.0055 -0.0035 4072 GLU 112 N 0.0028 0.0044 -0.0027 4073 GLU 112 HN 0.0034 0.0045 -0.0029 4074 GLU 112 CA 0.0023 0.0043 -0.0028 4075 GLU 112 HA 0.0018 0.0043 -0.0024 4076 GLU 112 CB 0.0029 0.0044 -0.0028 4077 GLU 112 HB1 0.0034 0.0043 -0.0032 4078 GLU 112 HB2 0.0025 0.0043 -0.0029 4079 GLU 112 CG 0.0030 0.0048 -0.0021 4080 GLU 112 HG1 0.0025 0.0048 -0.0017 4081 GLU 112 HG2 0.0033 0.0050 -0.0018 4082 GLU 112 CD 0.0035 0.0049 -0.0020 4083 GLU 112 OE1 0.0033 0.0048 -0.0023 4084 GLU 112 OE2 0.0041 0.0052 -0.0017 4085 GLU 112 C 0.0020 0.0038 -0.0035 4086 GLU 112 O 0.0015 0.0036 -0.0037 4087 LEU 113 N 0.0021 0.0037 -0.0040 4088 LEU 113 HN 0.0025 0.0038 -0.0038 4089 LEU 113 CA 0.0018 0.0032 -0.0047 4090 LEU 113 HA 0.0021 0.0031 -0.0051 4091 LEU 113 CB 0.0022 0.0032 -0.0050 4092 LEU 113 HB1 0.0029 0.0033 -0.0050 4093 LEU 113 HB2 0.0020 0.0033 -0.0046 4094 LEU 113 CG 0.0020 0.0028 -0.0057 4095 LEU 113 HG 0.0014 0.0026 -0.0057 4096 LEU 113 CD1 0.0023 0.0025 -0.0063 4097 LEU 113 HD11 0.0021 0.0022 -0.0069 4098 LEU 113 HD12 0.0019 0.0025 -0.0061 4099 LEU 113 HD13 0.0029 0.0027 -0.0063 4100 LEU 113 CD2 0.0025 0.0028 -0.0059 4101 LEU 113 HD21 0.0025 0.0025 -0.0065 4102 LEU 113 HD22 0.0032 0.0029 -0.0059 4103 LEU 113 HD23 0.0023 0.0029 -0.0055 4104 LEU 113 C 0.0009 0.0030 -0.0047 4105 LEU 113 O 0.0006 0.0027 -0.0052 4106 ILE 114 N 0.0019 0.0017 -0.0064 4107 ILE 114 HN 0.0027 0.0012 -0.0058 4108 ILE 114 CA 0.0007 0.0021 -0.0066 4109 ILE 114 HA 0.0006 0.0025 -0.0077 4110 ILE 114 CB 0.0013 0.0018 -0.0061 4111 ILE 114 HB 0.0017 0.0013 -0.0051 4112 ILE 114 CG2 0.0000 0.0020 -0.0059 4113 ILE 114 HG21 -0.0009 0.0020 -0.0051 4114 ILE 114 HG22 -0.0006 0.0026 -0.0069 4115 ILE 114 HG23 0.0005 0.0018 -0.0056 4116 ILE 114 CG1 0.0024 0.0019 -0.0073 4117 ILE 114 HG11 0.0018 0.0023 -0.0082 4118 ILE 114 HG12 0.0031 0.0018 -0.0078 4119 ILE 114 CD 0.0033 0.0014 -0.0068 4120 ILE 114 HD1 0.0027 0.0014 -0.0063 4121 ILE 114 HD2 0.0040 0.0015 -0.0078 4122 ILE 114 HD3 0.0039 0.0009 -0.0059 4123 ILE 114 C -0.0008 0.0023 -0.0058 4124 ILE 114 O -0.0020 0.0028 -0.0065 4125 GLN 115 N -0.0010 0.0018 -0.0045 4126 GLN 115 HN -0.0001 0.0014 -0.0039 4127 GLN 115 CA -0.0023 0.0020 -0.0038 4128 GLN 115 HA -0.0032 0.0023 -0.0040 4129 GLN 115 CB -0.0022 0.0014 -0.0021 4130 GLN 115 HB1 -0.0018 0.0012 -0.0019 4131 GLN 115 HB2 -0.0013 0.0010 -0.0018 4132 GLN 115 CG -0.0038 0.0016 -0.0013 4133 GLN 115 HG1 -0.0040 0.0016 -0.0014 4134 GLN 115 HG2 -0.0047 0.0020 -0.0018 4135 GLN 115 CD -0.0037 0.0010 0.0002 4136 GLN 115 OE1 -0.0027 0.0006 0.0006 4137 GLN 115 NE2 -0.0048 0.0009 0.0013 4138 GLN 115 HE21 -0.0056 0.0013 0.0010 4139 GLN 115 HE22 -0.0046 0.0005 0.0024 4140 GLN 115 C -0.0029 0.0023 -0.0042 4141 GLN 115 O -0.0042 0.0027 -0.0043 4142 VAL 116 N -0.0023 0.0009 -0.0047 4143 VAL 116 HN -0.0021 0.0014 -0.0045 4144 VAL 116 CA -0.0023 0.0007 -0.0056 4145 VAL 116 HA -0.0024 0.0006 -0.0059 4146 VAL 116 CB -0.0018 0.0014 -0.0061 4147 VAL 116 HB -0.0017 0.0017 -0.0057 4148 VAL 116 CG1 -0.0018 0.0013 -0.0069 4149 VAL 116 HG11 -0.0020 0.0009 -0.0071 4150 VAL 116 HG12 -0.0019 0.0011 -0.0073 4151 VAL 116 HG13 -0.0014 0.0018 -0.0072 4152 VAL 116 CG2 -0.0015 0.0019 -0.0060 4153 VAL 116 HG21 -0.0015 0.0018 -0.0066 4154 VAL 116 HG22 -0.0016 0.0018 -0.0055 4155 VAL 116 HG23 -0.0012 0.0024 -0.0060 4156 VAL 116 C -0.0026 0.0002 -0.0059 4157 VAL 116 O -0.0028 -0.0003 -0.0064 4158 MET 117 N -0.0026 0.0003 -0.0055 4159 MET 117 HN -0.0023 0.0008 -0.0053 4160 MET 117 CA -0.0028 -0.0001 -0.0055 4161 MET 117 HA -0.0029 -0.0003 -0.0062 4162 MET 117 CB -0.0027 0.0002 -0.0050 4163 MET 117 HB1 -0.0027 0.0004 -0.0044 4164 MET 117 HB2 -0.0030 -0.0002 -0.0049 4165 MET 117 CG -0.0023 0.0009 -0.0053 4166 MET 117 HG1 -0.0023 0.0007 -0.0058 4167 MET 117 HG2 -0.0020 0.0012 -0.0055 4168 MET 117 SD -0.0021 0.0013 -0.0046 4169 MET 117 CE -0.0026 0.0006 -0.0045 4170 MET 117 HE1 -0.0024 0.0008 -0.0044 4171 MET 117 HE2 -0.0028 0.0003 -0.0040 4172 MET 117 HE3 -0.0027 0.0003 -0.0052 4173 MET 117 C -0.0033 -0.0008 -0.0052 4174 MET 117 O -0.0036 -0.0014 -0.0054 4175 ALA 118 N -0.0070 0.0019 -0.0069 4176 ALA 118 HN -0.0067 0.0021 -0.0066 4177 ALA 118 CA -0.0076 0.0019 -0.0067 4178 ALA 118 HA -0.0080 0.0017 -0.0069 4179 ALA 118 CB -0.0078 0.0022 -0.0061 4180 ALA 118 HB1 -0.0083 0.0021 -0.0060 4181 ALA 118 HB2 -0.0078 0.0022 -0.0060 4182 ALA 118 HB3 -0.0075 0.0024 -0.0058 4183 ALA 118 C -0.0077 0.0018 -0.0068 4184 ALA 118 O -0.0081 0.0016 -0.0070 4185 GLU 119 N -0.0071 0.0020 -0.0067 4186 GLU 119 HN -0.0068 0.0021 -0.0065 4187 GLU 119 CA -0.0070 0.0019 -0.0068 4188 GLU 119 HA -0.0075 0.0020 -0.0066 4189 GLU 119 CB -0.0064 0.0022 -0.0064 4190 GLU 119 HB1 -0.0060 0.0022 -0.0065 4191 GLU 119 HB2 -0.0063 0.0021 -0.0066 4192 GLU 119 CG -0.0066 0.0025 -0.0058 4193 GLU 119 HG1 -0.0066 0.0026 -0.0057 4194 GLU 119 HG2 -0.0062 0.0027 -0.0055 4195 GLU 119 CD -0.0071 0.0026 -0.0056 4196 GLU 119 OE1 -0.0073 0.0025 -0.0057 4197 GLU 119 OE2 -0.0075 0.0027 -0.0052 4198 GLU 119 C -0.0070 0.0016 -0.0074 4199 GLU 119 O -0.0071 0.0015 -0.0075 4200 LEU 120 N -0.0058 -0.0013 -0.0062 4201 LEU 120 HN -0.0060 -0.0009 -0.0059 4202 LEU 120 CA -0.0056 -0.0022 -0.0066 4203 LEU 120 HA -0.0051 -0.0023 -0.0072 4204 LEU 120 CB -0.0058 -0.0022 -0.0063 4205 LEU 120 HB1 -0.0064 -0.0021 -0.0057 4206 LEU 120 HB2 -0.0058 -0.0030 -0.0065 4207 LEU 120 CG -0.0054 -0.0015 -0.0067 4208 LEU 120 HG -0.0055 -0.0008 -0.0064 4209 LEU 120 CD1 -0.0057 -0.0018 -0.0064 4210 LEU 120 HD11 -0.0062 -0.0016 -0.0058 4211 LEU 120 HD12 -0.0057 -0.0026 -0.0065 4212 LEU 120 HD13 -0.0054 -0.0013 -0.0066 4213 LEU 120 CD2 -0.0046 -0.0015 -0.0075 4214 LEU 120 HD21 -0.0045 -0.0022 -0.0078 4215 LEU 120 HD22 -0.0044 -0.0010 -0.0076 4216 LEU 120 HD23 -0.0044 -0.0012 -0.0077 4217 LEU 120 C -0.0060 -0.0031 -0.0064 4218 LEU 120 O -0.0057 -0.0039 -0.0068 4219 SER 121 N -0.0066 -0.0031 -0.0057 4220 SER 121 HN -0.0069 -0.0026 -0.0053 4221 SER 121 CA -0.0070 -0.0040 -0.0055 4222 SER 121 HA -0.0067 -0.0046 -0.0060 4223 SER 121 CB -0.0075 -0.0045 -0.0050 4224 SER 121 HB1 -0.0078 -0.0052 -0.0048 4225 SER 121 HB2 -0.0072 -0.0047 -0.0054 4226 SER 121 OG -0.0080 -0.0039 -0.0044 4227 SER 121 HG1 -0.0077 -0.0035 -0.0046 4228 SER 121 C -0.0073 -0.0038 -0.0052 4229 SER 121 O -0.0079 -0.0039 -0.0045 4230 PRO 122 N -0.0111 -0.0013 -0.0065 4231 PRO 122 CD -0.0078 -0.0015 -0.0058 4232 PRO 122 HD1 -0.0059 -0.0024 -0.0049 4233 PRO 122 HD2 -0.0081 -0.0029 -0.0050 4234 PRO 122 CA -0.0114 0.0018 -0.0083 4235 PRO 122 HA -0.0138 0.0026 -0.0092 4236 PRO 122 CB -0.0080 0.0034 -0.0087 4237 PRO 122 HB1 -0.0058 0.0034 -0.0083 4238 PRO 122 HB2 -0.0084 0.0057 -0.0101 4239 PRO 122 CG -0.0065 0.0016 -0.0074 4240 PRO 122 HG1 -0.0037 0.0019 -0.0071 4241 PRO 122 HG2 -0.0077 0.0022 -0.0079 4242 PRO 122 C -0.0115 0.0020 -0.0084 4243 PRO 122 O -0.0091 0.0014 -0.0077 4244 ALA 123 N -0.0143 0.0031 -0.0096 4245 ALA 123 HN -0.0160 0.0041 -0.0104 4246 ALA 123 CA -0.0155 0.0029 -0.0096 4247 ALA 123 HA -0.0161 0.0006 -0.0084 4248 ALA 123 CB -0.0187 0.0047 -0.0112 4249 ALA 123 HB1 -0.0180 0.0071 -0.0125 4250 ALA 123 HB2 -0.0197 0.0046 -0.0113 4251 ALA 123 HB3 -0.0208 0.0041 -0.0112 4252 ALA 123 C -0.0127 0.0037 -0.0096 4253 ALA 123 O -0.0121 0.0019 -0.0085 4254 ALA 124 N -0.0116 0.0094 -0.0159 4255 ALA 124 HN -0.0129 0.0117 -0.0182 4256 ALA 124 CA -0.0057 0.0119 -0.0161 4257 ALA 124 HA -0.0068 0.0122 -0.0166 4258 ALA 124 CB -0.0039 0.0176 -0.0201 4259 ALA 124 HB1 -0.0005 0.0199 -0.0209 4260 ALA 124 HB2 -0.0081 0.0195 -0.0230 4261 ALA 124 HB3 -0.0018 0.0178 -0.0196 4262 ALA 124 C -0.0003 0.0093 -0.0121 4263 ALA 124 O 0.0044 0.0101 -0.0113 4264 LYS 125 N -0.0007 0.0059 -0.0095 4265 LYS 125 HN -0.0045 0.0052 -0.0102 4266 LYS 125 CA 0.0042 0.0028 -0.0054 4267 LYS 125 HA 0.0087 0.0045 -0.0054 4268 LYS 125 CB 0.0050 0.0018 -0.0043 4269 LYS 125 HB1 0.0004 0.0021 -0.0061 4270 LYS 125 HB2 0.0060 -0.0021 -0.0008 4271 LYS 125 CG 0.0104 0.0057 -0.0058 4272 LYS 125 HG1 0.0117 0.0040 -0.0040 4273 LYS 125 HG2 0.0147 0.0061 -0.0047 4274 LYS 125 CD 0.0097 0.0113 -0.0106 4275 LYS 125 HD1 0.0141 0.0139 -0.0113 4276 LYS 125 HD2 0.0083 0.0125 -0.0120 4277 LYS 125 CE 0.0041 0.0116 -0.0126 4278 LYS 125 HE1 -0.0007 0.0104 -0.0132 4279 LYS 125 HE2 0.0045 0.0092 -0.0106 4280 LYS 125 NZ 0.0050 0.0169 -0.0167 4281 LYS 125 HZ1 0.0056 0.0194 -0.0185 4282 LYS 125 HZ2 0.0010 0.0176 -0.0185 4283 LYS 125 HZ3 0.0089 0.0177 -0.0160 4284 LYS 125 C 0.0020 -0.0025 -0.0018 4285 LYS 125 O 0.0058 -0.0057 0.0020 4286 THR 126 N -0.0070 -0.0103 -0.0012 4287 THR 126 HN -0.0090 -0.0089 -0.0036 4288 THR 126 CA -0.0078 -0.0132 0.0011 4289 THR 126 HA -0.0067 -0.0153 0.0037 4290 THR 126 CB -0.0129 -0.0152 0.0004 4291 THR 126 HB -0.0133 -0.0178 0.0028 4292 THR 126 OG1 -0.0151 -0.0133 -0.0024 4293 THR 126 HG1 -0.0139 -0.0110 -0.0041 4294 THR 126 CG2 -0.0154 -0.0159 -0.0002 4295 THR 126 HG21 -0.0154 -0.0135 -0.0025 4296 THR 126 HG22 -0.0190 -0.0172 -0.0008 4297 THR 126 HG23 -0.0143 -0.0177 0.0021 4298 THR 126 C -0.0053 -0.0124 0.0016 4299 THR 126 O -0.0045 -0.0094 -0.0008 4300 GLY 127 N -0.0039 -0.0150 0.0048 4301 GLY 127 HN -0.0046 -0.0174 0.0067 4302 GLY 127 CA -0.0010 -0.0148 0.0061 4303 GLY 127 HA1 0.0017 -0.0124 0.0051 4304 GLY 127 HA2 0.0001 -0.0171 0.0088 4305 GLY 127 C -0.0026 -0.0141 0.0046 4306 GLY 127 O 0.0001 -0.0134 0.0054 4307 LYS 128 N -0.0158 -0.0116 0.0028 4308 LYS 128 HN -0.0161 -0.0141 0.0028 4309 LYS 128 CA -0.0097 -0.0100 0.0024 4310 LYS 128 HA -0.0091 -0.0053 0.0024 4311 LYS 128 CB -0.0049 -0.0118 0.0020 4312 LYS 128 HB1 -0.0057 -0.0165 0.0020 4313 LYS 128 HB2 -0.0005 -0.0108 0.0017 4314 LYS 128 CG -0.0052 -0.0078 0.0021 4315 LYS 128 HG1 -0.0040 -0.0034 0.0020 4316 LYS 128 HG2 -0.0099 -0.0074 0.0024 4317 LYS 128 CD -0.0015 -0.0094 0.0018 4318 LYS 128 HD1 0.0032 -0.0103 0.0014 4319 LYS 128 HD2 -0.0008 -0.0058 0.0018 4320 LYS 128 CE -0.0037 -0.0149 0.0019 4321 LYS 128 HE1 -0.0084 -0.0151 0.0022 4322 LYS 128 HE2 -0.0034 -0.0186 0.0018 4323 LYS 128 NZ -0.0000 -0.0170 0.0016 4324 LYS 128 HZ1 -0.0026 -0.0182 0.0018 4325 LYS 128 HZ2 0.0025 -0.0204 0.0013 4326 LYS 128 HZ3 0.0025 -0.0133 0.0014 4327 LYS 128 C -0.0084 -0.0131 0.0022 4328 LYS 128 O -0.0097 -0.0182 0.0023 4329 ARG 129 N -0.0059 -0.0096 0.0021 4330 ARG 129 HN -0.0049 -0.0055 0.0021 4331 ARG 129 CA -0.0047 -0.0114 0.0020 4332 ARG 129 HA -0.0069 -0.0155 0.0021 4333 ARG 129 CB -0.0068 -0.0061 0.0022 4334 ARG 129 HB1 -0.0064 -0.0015 0.0022 4335 ARG 129 HB2 -0.0043 -0.0061 0.0020 4336 ARG 129 CG -0.0134 -0.0068 0.0027 4337 ARG 129 HG1 -0.0146 -0.0111 0.0027 4338 ARG 129 HG2 -0.0161 -0.0069 0.0029 4339 ARG 129 CD -0.0157 -0.0014 0.0029 4340 ARG 129 HD1 -0.0206 -0.0016 0.0033 4341 ARG 129 HD2 -0.0142 0.0027 0.0029 4342 ARG 129 NE -0.0138 -0.0016 0.0028 4343 ARG 129 HE -0.0121 -0.0053 0.0026 4344 ARG 129 CZ -0.0159 0.0021 0.0030 4345 ARG 129 NH1 -0.0203 0.0060 0.0034 4346 ARG 129 HH11 -0.0222 0.0051 0.0035 4347 ARG 129 HH12 -0.0226 0.0071 0.0035 4348 ARG 129 NH2 -0.0145 0.0009 0.0029 4349 ARG 129 HH21 -0.0108 -0.0014 0.0026 4350 ARG 129 HH22 -0.0157 0.0038 0.0030 4351 ARG 129 C 0.0019 -0.0118 0.0015 4352 ARG 129 O 0.0041 -0.0161 0.0013 4353 LYS 130 N 0.0446 0.0120 0.0098 4354 LYS 130 HN 0.0510 0.0032 0.0056 4355 LYS 130 CA 0.0286 0.0109 0.0048 4356 LYS 130 HA 0.0227 0.0207 0.0098 4357 LYS 130 CB 0.0185 0.0025 -0.0035 4358 LYS 130 HB1 0.0221 -0.0084 -0.0098 4359 LYS 130 HB2 0.0061 0.0045 -0.0054 4360 LYS 130 CG 0.0202 0.0053 -0.0012 4361 LYS 130 HG1 0.0219 0.0158 0.0063 4362 LYS 130 HG2 0.0309 -0.0008 -0.0024 4363 LYS 130 CD 0.0060 0.0009 -0.0079 4364 LYS 130 HD1 0.0039 -0.0090 -0.0150 4365 LYS 130 HD2 -0.0044 0.0078 -0.0060 4366 LYS 130 CE 0.0091 0.0020 -0.0063 4367 LYS 130 HE1 0.0095 0.0124 0.0007 4368 LYS 130 HE2 0.0208 -0.0032 -0.0067 4369 LYS 130 NZ -0.0039 -0.0034 -0.0134 4370 LYS 130 HZ1 -0.0033 -0.0136 -0.0200 4371 LYS 130 HZ2 -0.0149 0.0017 -0.0129 4372 LYS 130 HZ3 -0.0030 -0.0027 -0.0127 4373 LYS 130 C 0.0309 0.0044 0.0011 4374 LYS 130 O 0.0437 -0.0019 0.0003 4375 ARG 131 N 0.0193 0.0054 -0.0013 4376 ARG 131 HN 0.0089 0.0106 -0.0006 4377 ARG 131 CA 0.0219 -0.0014 -0.0052 4378 ARG 131 HA 0.0329 -0.0001 -0.0014 4379 ARG 131 CB 0.0099 0.0042 -0.0046 4380 ARG 131 HB1 -0.0016 0.0012 -0.0097 4381 ARG 131 HB2 0.0145 -0.0004 -0.0064 4382 ARG 131 CG 0.0082 0.0194 0.0051 4383 ARG 131 HG1 0.0186 0.0239 0.0108 4384 ARG 131 HG2 -0.0006 0.0251 0.0066 4385 ARG 131 CD 0.0026 0.0228 0.0059 4386 ARG 131 HD1 0.0090 0.0146 0.0021 4387 ARG 131 HD2 0.0054 0.0327 0.0133 4388 ARG 131 NE -0.0140 0.0240 0.0023 4389 ARG 131 HE -0.0204 0.0273 0.0028 4390 ARG 131 CZ -0.0202 0.0209 -0.0015 4391 ARG 131 NH1 -0.0120 0.0174 -0.0016 4392 ARG 131 HH11 -0.0004 0.0158 0.0004 4393 ARG 131 HH12 -0.0174 0.0161 -0.0039 4394 ARG 131 NH2 -0.0357 0.0225 -0.0044 4395 ARG 131 HH21 -0.0430 0.0230 -0.0061 4396 ARG 131 HH22 -0.0401 0.0197 -0.0075 4397 ARG 131 C 0.0206 -0.0168 -0.0158 4398 ARG 131 O 0.0137 -0.0201 -0.0199 4399 SER 132 N 0.0178 -0.0050 -0.0050 4400 SER 132 HN 0.0175 -0.0033 -0.0052 4401 SER 132 CA 0.0168 -0.0107 -0.0047 4402 SER 132 HA 0.0187 -0.0126 -0.0042 4403 SER 132 CB 0.0193 -0.0137 -0.0040 4404 SER 132 HB1 0.0170 -0.0125 -0.0045 4405 SER 132 HB2 0.0195 -0.0184 -0.0035 4406 SER 132 OG 0.0250 -0.0120 -0.0029 4407 SER 132 HG1 0.0247 -0.0080 -0.0033 4408 SER 132 C 0.0108 -0.0121 -0.0059 4409 SER 132 OT1 0.0078 -0.0109 -0.0066 4410 SER 132 OT2 0.0089 -0.0146 -0.0061