1 PRO 42 N 0.0102 0.0003 0.0127 2 PRO 42 CA 0.0109 0.0011 0.0104 3 PRO 42 C 0.0090 0.0010 0.0088 4 PRO 42 O 0.0072 0.0007 0.0085 5 PRO 42 CB 0.0118 0.0015 0.0096 6 PRO 42 CG 0.0104 0.0009 0.0107 7 PRO 42 CD 0.0100 0.0002 0.0129 8 PRO 42 H 0.0112 0.0002 0.0139 9 PRO 42 HA 0.0123 0.0014 0.0106 10 PRO 42 HB3 0.0136 0.0019 0.0100 11 PRO 42 HB2 0.0116 0.0020 0.0077 12 PRO 42 HG3 0.0112 0.0011 0.0108 13 PRO 42 HG2 0.0088 0.0007 0.0097 14 PRO 42 HD2 0.0084 -0.0004 0.0134 15 PRO 42 HD3 0.0112 0.0001 0.0142 16 ARG 43 N 0.0095 0.0015 0.0077 17 ARG 43 CA 0.0079 0.0015 0.0061 18 ARG 43 C 0.0074 0.0019 0.0041 19 ARG 43 O 0.0054 0.0016 0.0033 20 ARG 43 CB 0.0089 0.0020 0.0053 21 ARG 43 CG 0.0077 0.0022 0.0034 22 ARG 43 CD 0.0088 0.0026 0.0028 23 ARG 43 NE 0.0077 0.0029 0.0008 24 ARG 43 CZ 0.0079 0.0035 -0.0014 25 ARG 43 NH1 0.0090 0.0040 -0.0020 26 ARG 43 NH2 0.0069 0.0037 -0.0029 27 ARG 43 H 0.0110 0.0017 0.0081 28 ARG 43 HA 0.0064 0.0009 0.0069 29 ARG 43 HB3 0.0106 0.0025 0.0048 30 ARG 43 HB2 0.0091 0.0016 0.0068 31 ARG 43 HG3 0.0060 0.0016 0.0039 32 ARG 43 HG2 0.0074 0.0025 0.0019 33 ARG 43 HD3 0.0106 0.0031 0.0027 34 ARG 43 HD2 0.0085 0.0022 0.0041 35 ARG 43 HH22 0.0069 0.0041 -0.0046 36 ARG 43 HH21 0.0062 0.0034 -0.0026 37 ARG 43 HH12 0.0092 0.0044 -0.0036 38 ARG 43 HH11 0.0096 0.0038 -0.0009 39 ARG 43 HE 0.0067 0.0025 0.0012 40 THR 44 N 0.0056 0.0011 0.0026 41 THR 44 CA 0.0055 0.0010 0.0020 42 THR 44 C 0.0054 0.0010 0.0022 43 THR 44 O 0.0059 0.0012 0.0026 44 THR 44 CB 0.0061 0.0011 0.0013 45 THR 44 OG1 0.0061 0.0011 0.0011 46 THR 44 CG2 0.0060 0.0010 0.0006 47 THR 44 H 0.0060 0.0013 0.0029 48 THR 44 HA 0.0049 0.0008 0.0017 49 THR 44 HB 0.0066 0.0013 0.0015 50 THR 44 HG1 0.0056 0.0009 0.0009 51 THR 44 HG21 0.0064 0.0011 0.0001 52 THR 44 HG22 0.0060 0.0010 0.0007 53 THR 44 HG23 0.0054 0.0008 0.0004 54 VAL 45 N 0.0049 0.0008 0.0020 55 VAL 45 CA 0.0047 0.0008 0.0023 56 VAL 45 C 0.0045 0.0006 0.0015 57 VAL 45 O 0.0043 0.0005 0.0010 58 VAL 45 CB 0.0041 0.0006 0.0029 59 VAL 45 CG1 0.0042 0.0008 0.0036 60 VAL 45 CG2 0.0033 0.0003 0.0026 61 VAL 45 H 0.0045 0.0006 0.0017 62 VAL 45 HA 0.0052 0.0010 0.0025 63 VAL 45 HB 0.0040 0.0006 0.0030 64 VAL 45 HG11 0.0038 0.0007 0.0041 65 VAL 45 HG12 0.0048 0.0010 0.0038 66 VAL 45 HG13 0.0042 0.0007 0.0035 67 VAL 45 HG21 0.0029 0.0002 0.0030 68 VAL 45 HG22 0.0033 0.0003 0.0023 69 VAL 45 HG23 0.0031 0.0002 0.0021 70 MET 46 N 0.0022 -0.0015 0.0017 71 MET 46 CA 0.0020 -0.0020 0.0020 72 MET 46 C 0.0020 -0.0019 0.0019 73 MET 46 O 0.0018 -0.0015 0.0017 74 MET 46 CB 0.0014 -0.0022 0.0020 75 MET 46 CG 0.0013 -0.0024 0.0021 76 MET 46 SD 0.0005 -0.0027 0.0022 77 MET 46 CE 0.0001 -0.0020 0.0018 78 MET 46 H 0.0018 -0.0012 0.0015 79 MET 46 HA 0.0024 -0.0023 0.0022 80 MET 46 HB3 0.0012 -0.0026 0.0022 81 MET 46 HB2 0.0010 -0.0019 0.0018 82 MET 46 HG3 0.0014 -0.0020 0.0019 83 MET 46 HG2 0.0017 -0.0027 0.0023 84 MET 46 HE1 -0.0004 -0.0021 0.0018 85 MET 46 HE2 0.0003 -0.0017 0.0016 86 MET 46 HE3 0.0001 -0.0019 0.0017 87 VAL 47 N 0.0023 -0.0023 0.0022 88 VAL 47 CA 0.0023 -0.0024 0.0022 89 VAL 47 C 0.0020 -0.0029 0.0025 90 VAL 47 O 0.0022 -0.0034 0.0028 91 VAL 47 CB 0.0030 -0.0023 0.0022 92 VAL 47 CG1 0.0031 -0.0024 0.0023 93 VAL 47 CG2 0.0033 -0.0017 0.0019 94 VAL 47 H 0.0025 -0.0026 0.0024 95 VAL 47 HA 0.0021 -0.0020 0.0020 96 VAL 47 HB 0.0033 -0.0026 0.0024 97 VAL 47 HG11 0.0036 -0.0023 0.0023 98 VAL 47 HG12 0.0029 -0.0028 0.0025 99 VAL 47 HG13 0.0028 -0.0021 0.0021 100 VAL 47 HG21 0.0038 -0.0017 0.0019 101 VAL 47 HG22 0.0031 -0.0014 0.0017 102 VAL 47 HG23 0.0034 -0.0017 0.0019 103 ASN 48 N -0.0009 -0.0062 0.0009 104 ASN 48 CA -0.0009 -0.0065 0.0021 105 ASN 48 C 0.0011 -0.0058 0.0028 106 ASN 48 O 0.0023 -0.0050 0.0016 107 ASN 48 CB -0.0019 -0.0065 0.0007 108 ASN 48 CG -0.0022 -0.0069 0.0015 109 ASN 48 OD1 -0.0016 -0.0071 0.0032 110 ASN 48 ND2 -0.0030 -0.0069 0.0002 111 ASN 48 H -0.0009 -0.0058 -0.0006 112 ASN 48 HA -0.0017 -0.0072 0.0033 113 ASN 48 HB3 -0.0012 -0.0059 -0.0007 114 ASN 48 HB2 -0.0034 -0.0070 0.0001 115 ASN 48 HD22 -0.0031 -0.0070 0.0006 116 ASN 48 HD21 -0.0034 -0.0067 -0.0012 117 LEU 49 N 0.0016 -0.0062 0.0048 118 LEU 49 CA 0.0035 -0.0056 0.0058 119 LEU 49 C 0.0042 -0.0054 0.0058 120 LEU 49 O 0.0059 -0.0048 0.0064 121 LEU 49 CB 0.0037 -0.0061 0.0079 122 LEU 49 CG 0.0035 -0.0062 0.0081 123 LEU 49 CD1 0.0039 -0.0067 0.0103 124 LEU 49 CD2 0.0049 -0.0053 0.0068 125 LEU 49 H 0.0006 -0.0068 0.0057 126 LEU 49 HA 0.0045 -0.0050 0.0049 127 LEU 49 HB3 0.0051 -0.0057 0.0086 128 LEU 49 HB2 0.0026 -0.0068 0.0087 129 LEU 49 HG 0.0021 -0.0067 0.0075 130 LEU 49 HD11 0.0046 -0.0064 0.0105 131 LEU 49 HD12 0.0025 -0.0074 0.0109 132 LEU 49 HD13 0.0047 -0.0065 0.0112 133 LEU 49 HD21 0.0053 -0.0053 0.0074 134 LEU 49 HD22 0.0062 -0.0047 0.0067 135 LEU 49 HD23 0.0042 -0.0052 0.0053 136 ASN 50 N 0.0007 -0.0057 0.0049 137 ASN 50 CA 0.0012 -0.0055 0.0050 138 ASN 50 C 0.0023 -0.0043 0.0029 139 ASN 50 O 0.0011 -0.0043 0.0011 140 ASN 50 CB -0.0010 -0.0065 0.0051 141 ASN 50 CG -0.0018 -0.0077 0.0075 142 ASN 50 OD1 -0.0006 -0.0077 0.0092 143 ASN 50 ND2 -0.0039 -0.0086 0.0076 144 ASN 50 H -0.0008 -0.0062 0.0044 145 ASN 50 HA 0.0023 -0.0055 0.0065 146 ASN 50 HB3 -0.0008 -0.0063 0.0048 147 ASN 50 HB2 -0.0023 -0.0067 0.0038 148 ASN 50 HD22 -0.0044 -0.0094 0.0092 149 ASN 50 HD21 -0.0049 -0.0086 0.0063 150 ILE 51 N 0.0044 -0.0034 0.0031 151 ILE 51 CA 0.0059 -0.0022 0.0013 152 ILE 51 C 0.0055 -0.0019 -0.0000 153 ILE 51 O 0.0052 -0.0024 0.0010 154 ILE 51 CB 0.0084 -0.0014 0.0023 155 ILE 51 CG1 0.0089 -0.0015 0.0033 156 ILE 51 CG2 0.0101 -0.0001 0.0006 157 ILE 51 CD1 0.0110 -0.0012 0.0051 158 ILE 51 H 0.0052 -0.0036 0.0045 159 ILE 51 HA 0.0054 -0.0020 0.0001 160 ILE 51 HB 0.0087 -0.0017 0.0037 161 ILE 51 HG13 0.0076 -0.0024 0.0041 162 ILE 51 HG12 0.0092 -0.0009 0.0019 163 ILE 51 HG21 0.0118 0.0004 0.0013 164 ILE 51 HG22 0.0100 0.0000 0.0001 165 ILE 51 HG23 0.0097 0.0003 -0.0010 166 ILE 51 HD11 0.0112 -0.0013 0.0059 167 ILE 51 HD12 0.0108 -0.0017 0.0065 168 ILE 51 HD13 0.0125 -0.0003 0.0044 169 HIS 52 N 0.0061 -0.0012 -0.0040 170 HIS 52 CA 0.0051 -0.0005 -0.0049 171 HIS 52 C 0.0051 0.0009 -0.0047 172 HIS 52 O 0.0058 0.0015 -0.0039 173 HIS 52 CB 0.0046 -0.0004 -0.0053 174 HIS 52 CG 0.0043 -0.0018 -0.0058 175 HIS 52 ND1 0.0044 -0.0030 -0.0059 176 HIS 52 CD2 0.0037 -0.0021 -0.0064 177 HIS 52 CE1 0.0039 -0.0039 -0.0065 178 HIS 52 NE2 0.0035 -0.0034 -0.0068 179 HIS 52 H 0.0066 -0.0006 -0.0035 180 HIS 52 HA 0.0046 -0.0011 -0.0054 181 HIS 52 HB3 0.0040 0.0003 -0.0058 182 HIS 52 HB2 0.0052 -0.0001 -0.0048 183 HIS 52 HD1 0.0048 -0.0031 -0.0056 184 HIS 52 HD2 0.0035 -0.0014 -0.0065 185 HIS 52 HE1 0.0039 -0.0049 -0.0067 186 ASN 53 N 0.0043 0.0013 -0.0053 187 ASN 53 CA 0.0042 0.0027 -0.0052 188 ASN 53 C 0.0036 0.0036 -0.0056 189 ASN 53 O 0.0028 0.0033 -0.0064 190 ASN 53 CB 0.0037 0.0027 -0.0057 191 ASN 53 CG 0.0044 0.0022 -0.0051 192 ASN 53 OD1 0.0044 0.0028 -0.0050 193 ASN 53 ND2 0.0050 0.0010 -0.0047 194 ASN 53 H 0.0036 0.0009 -0.0060 195 ASN 53 HA 0.0049 0.0031 -0.0044 196 ASN 53 HB3 0.0034 0.0037 -0.0058 197 ASN 53 HB2 0.0030 0.0021 -0.0064 198 ASN 53 HD22 0.0054 0.0007 -0.0044 199 ASN 53 HD21 0.0050 0.0005 -0.0048 200 ARG 54 N 0.0029 0.0006 -0.0055 201 ARG 54 CA 0.0015 0.0035 -0.0046 202 ARG 54 C -0.0003 0.0057 -0.0043 203 ARG 54 O 0.0012 0.0071 -0.0031 204 ARG 54 CB 0.0043 0.0050 -0.0029 205 ARG 54 CG 0.0034 0.0083 -0.0016 206 ARG 54 CD 0.0010 0.0086 -0.0024 207 ARG 54 NE 0.0024 0.0069 -0.0027 208 ARG 54 CZ 0.0009 0.0063 -0.0036 209 ARG 54 NH1 -0.0022 0.0074 -0.0042 210 ARG 54 NH2 0.0026 0.0044 -0.0038 211 ARG 54 H 0.0046 0.0009 -0.0047 212 ARG 54 HA -0.0002 0.0031 -0.0055 213 ARG 54 HB3 0.0062 0.0050 -0.0021 214 ARG 54 HB2 0.0054 0.0034 -0.0032 215 ARG 54 HG3 0.0025 0.0101 -0.0011 216 ARG 54 HG2 0.0056 0.0091 -0.0004 217 ARG 54 HD3 -0.0012 0.0075 -0.0037 218 ARG 54 HD2 0.0000 0.0111 -0.0016 219 ARG 54 HH22 0.0018 0.0039 -0.0044 220 ARG 54 HH21 0.0049 0.0033 -0.0034 221 ARG 54 HH12 -0.0034 0.0070 -0.0049 222 ARG 54 HH11 -0.0035 0.0088 -0.0040 223 ARG 54 HE 0.0049 0.0061 -0.0021 224 ASN 55 N -0.0036 0.0059 -0.0055 225 ASN 55 CA -0.0059 0.0082 -0.0053 226 ASN 55 C -0.0055 0.0079 -0.0053 227 ASN 55 O -0.0066 0.0101 -0.0046 228 ASN 55 CB -0.0058 0.0116 -0.0036 229 ASN 55 CG -0.0075 0.0123 -0.0039 230 ASN 55 OD1 -0.0060 0.0118 -0.0036 231 ASN 55 ND2 -0.0106 0.0135 -0.0045 232 ASN 55 H -0.0046 0.0046 -0.0065 233 ASN 55 HA -0.0082 0.0076 -0.0065 234 ASN 55 HB3 -0.0070 0.0134 -0.0032 235 ASN 55 HB2 -0.0033 0.0121 -0.0023 236 ASN 55 HD22 -0.0118 0.0141 -0.0047 237 ASN 55 HD21 -0.0118 0.0140 -0.0048 238 THR 56 N -0.0032 0.0065 -0.0027 239 THR 56 CA -0.0007 0.0028 -0.0034 240 THR 56 C -0.0034 0.0001 -0.0022 241 THR 56 O -0.0015 -0.0019 -0.0028 242 THR 56 CB 0.0012 -0.0005 -0.0039 243 THR 56 OG1 -0.0021 -0.0018 -0.0026 244 THR 56 CG2 0.0047 0.0017 -0.0053 245 THR 56 H -0.0035 0.0059 -0.0025 246 THR 56 HA 0.0020 0.0045 -0.0045 247 THR 56 HB 0.0025 -0.0037 -0.0042 248 THR 56 HG1 -0.0011 -0.0045 -0.0028 249 THR 56 HG21 0.0059 -0.0007 -0.0056 250 THR 56 HG22 0.0075 0.0026 -0.0064 251 THR 56 HG23 0.0035 0.0048 -0.0051 252 ASN 57 N -0.0077 0.0004 -0.0006 253 ASN 57 CA -0.0108 -0.0014 0.0006 254 ASN 57 C -0.0125 0.0024 0.0010 255 ASN 57 O -0.0155 0.0014 0.0022 256 ASN 57 CB -0.0145 -0.0039 0.0021 257 ASN 57 CG -0.0130 -0.0086 0.0019 258 ASN 57 OD1 -0.0121 -0.0090 0.0016 259 ASN 57 ND2 -0.0126 -0.0121 0.0019 260 ASN 57 H -0.0089 0.0019 -0.0003 261 ASN 57 HA -0.0090 -0.0040 0.0001 262 ASN 57 HB3 -0.0171 -0.0047 0.0032 263 ASN 57 HB2 -0.0159 -0.0018 0.0025 264 ASN 57 HD22 -0.0115 -0.0152 0.0017 265 ASN 57 HD21 -0.0134 -0.0119 0.0022 266 THR 58 N -0.0112 0.0073 0.0008 267 THR 58 CA -0.0100 0.0075 -0.0018 268 THR 58 C -0.0060 0.0055 -0.0048 269 THR 58 O -0.0055 0.0063 -0.0075 270 THR 58 CB -0.0126 0.0112 -0.0049 271 THR 58 OG1 -0.0163 0.0132 -0.0022 272 THR 58 CG2 -0.0118 0.0117 -0.0075 273 THR 58 H -0.0115 0.0083 -0.0010 274 THR 58 HA -0.0100 0.0065 0.0003 275 THR 58 HB -0.0123 0.0121 -0.0074 276 THR 58 HG1 -0.0164 0.0121 0.0002 277 THR 58 HG21 -0.0137 0.0143 -0.0094 278 THR 58 HG22 -0.0089 0.0104 -0.0098 279 THR 58 HG23 -0.0120 0.0108 -0.0052 280 ASN 59 N -0.0033 0.0028 -0.0042 281 ASN 59 CA 0.0008 0.0004 -0.0065 282 ASN 59 C 0.0022 -0.0011 -0.0061 283 ASN 59 O 0.0037 -0.0008 -0.0095 284 ASN 59 CB 0.0017 0.0020 -0.0115 285 ASN 59 CG 0.0007 0.0032 -0.0122 286 ASN 59 OD1 0.0009 0.0017 -0.0096 287 ASN 59 ND2 -0.0004 0.0059 -0.0158 288 ASN 59 H -0.0039 0.0023 -0.0021 289 ASN 59 HA 0.0023 -0.0017 -0.0049 290 ASN 59 HB3 0.0047 0.0001 -0.0131 291 ASN 59 HB2 0.0003 0.0040 -0.0133 292 ASN 59 HD22 -0.0010 0.0066 -0.0164 293 ASN 59 HD21 -0.0006 0.0070 -0.0179 294 PRO 60 N -0.0007 -0.0001 -0.0026 295 PRO 60 CA 0.0009 -0.0021 -0.0016 296 PRO 60 C 0.0040 -0.0030 -0.0016 297 PRO 60 O 0.0052 -0.0022 -0.0023 298 PRO 60 CB -0.0011 -0.0042 0.0002 299 PRO 60 CG -0.0027 -0.0038 0.0002 300 PRO 60 CD -0.0031 -0.0010 -0.0015 301 PRO 60 HA 0.0010 -0.0015 -0.0020 302 PRO 60 HXT 0.0051 -0.0044 -0.0009 303 PRO 60 HB3 -0.0027 -0.0039 0.0003 304 PRO 60 HB2 -0.0000 -0.0060 0.0012 305 PRO 60 HG3 -0.0047 -0.0047 0.0012 306 PRO 60 HG2 -0.0012 -0.0046 0.0004 307 PRO 60 HD2 -0.0032 -0.0004 -0.0019 308 PRO 60 HD3 -0.0052 -0.0003 -0.0016 309 ASP 65 N -0.0008 -0.0051 0.0028 310 ASP 65 CA -0.0003 -0.0048 0.0033 311 ASP 65 C -0.0000 -0.0048 0.0029 312 ASP 65 O 0.0005 -0.0045 0.0031 313 ASP 65 CB 0.0003 -0.0045 0.0036 314 ASP 65 CG 0.0008 -0.0042 0.0042 315 ASP 65 OD1 0.0004 -0.0043 0.0048 316 ASP 65 OD2 0.0014 -0.0040 0.0040 317 ASP 65 H1 -0.0005 -0.0050 0.0027 318 ASP 65 H2 -0.0012 -0.0052 0.0032 319 ASP 65 HA -0.0006 -0.0049 0.0038 320 ASP 65 HB3 0.0006 -0.0044 0.0031 321 ASP 65 HB2 0.0001 -0.0046 0.0038 322 TYR 66 N -0.0004 -0.0050 0.0024 323 TYR 66 CA -0.0003 -0.0050 0.0019 324 TYR 66 C -0.0003 -0.0049 0.0025 325 TYR 66 O 0.0001 -0.0048 0.0022 326 TYR 66 CB -0.0008 -0.0053 0.0013 327 TYR 66 CG -0.0009 -0.0054 0.0007 328 TYR 66 CD1 -0.0003 -0.0052 0.0004 329 TYR 66 CD2 -0.0015 -0.0057 0.0003 330 TYR 66 CE1 -0.0003 -0.0053 -0.0002 331 TYR 66 CE2 -0.0016 -0.0058 -0.0003 332 TYR 66 CZ -0.0010 -0.0056 -0.0005 333 TYR 66 OH -0.0010 -0.0057 -0.0011 334 TYR 66 H -0.0008 -0.0052 0.0022 335 TYR 66 HA 0.0003 -0.0048 0.0017 336 TYR 66 HB3 -0.0007 -0.0053 0.0010 337 TYR 66 HB2 -0.0014 -0.0055 0.0016 338 TYR 66 HD1 0.0002 -0.0049 0.0007 339 TYR 66 HD2 -0.0020 -0.0059 0.0005 340 TYR 66 HE1 0.0002 -0.0051 -0.0004 341 TYR 66 HE2 -0.0021 -0.0061 -0.0005 342 TYR 66 HH -0.0006 -0.0055 -0.0013 343 TYR 67 N -0.0038 -0.0090 -0.0003 344 TYR 67 CA -0.0022 -0.0095 0.0004 345 TYR 67 C -0.0010 -0.0096 0.0009 346 TYR 67 O 0.0005 -0.0094 0.0012 347 TYR 67 CB -0.0025 -0.0110 0.0011 348 TYR 67 CG -0.0031 -0.0125 0.0018 349 TYR 67 CD1 -0.0047 -0.0128 0.0014 350 TYR 67 CD2 -0.0019 -0.0136 0.0027 351 TYR 67 CE1 -0.0052 -0.0142 0.0020 352 TYR 67 CE2 -0.0024 -0.0149 0.0033 353 TYR 67 CZ -0.0040 -0.0153 0.0029 354 TYR 67 OH -0.0045 -0.0165 0.0034 355 TYR 67 H -0.0049 -0.0098 -0.0002 356 TYR 67 HA -0.0016 -0.0085 0.0002 357 TYR 67 HB3 -0.0034 -0.0108 0.0008 358 TYR 67 HB2 -0.0013 -0.0111 0.0016 359 TYR 67 HD1 -0.0056 -0.0120 0.0007 360 TYR 67 HD2 -0.0006 -0.0133 0.0030 361 TYR 67 HE1 -0.0065 -0.0144 0.0017 362 TYR 67 HE2 -0.0015 -0.0158 0.0040 363 TYR 67 HH -0.0055 -0.0165 0.0031 364 ASN 68 N -0.0018 -0.0100 0.0008 365 ASN 68 CA -0.0009 -0.0100 0.0012 366 ASN 68 C -0.0007 -0.0085 0.0004 367 ASN 68 O 0.0007 -0.0079 0.0006 368 ASN 68 CB -0.0018 -0.0113 0.0015 369 ASN 68 CG -0.0015 -0.0130 0.0025 370 ASN 68 OD1 -0.0000 -0.0132 0.0031 371 ASN 68 ND2 -0.0028 -0.0141 0.0027 372 ASN 68 H -0.0030 -0.0101 0.0005 373 ASN 68 HA 0.0004 -0.0103 0.0017 374 ASN 68 HB3 -0.0014 -0.0111 0.0016 375 ASN 68 HB2 -0.0032 -0.0112 0.0011 376 ASN 68 HD22 -0.0027 -0.0152 0.0033 377 ASN 68 HD21 -0.0040 -0.0138 0.0022 378 ARG 69 N -0.0014 0.0028 0.0003 379 ARG 69 CA -0.0010 0.0024 0.0001 380 ARG 69 C -0.0015 0.0014 0.0005 381 ARG 69 O -0.0013 0.0011 0.0004 382 ARG 69 CB 0.0002 0.0020 -0.0004 383 ARG 69 CG 0.0009 0.0030 -0.0008 384 ARG 69 CD 0.0019 0.0027 -0.0013 385 ARG 69 NE 0.0024 0.0017 -0.0014 386 ARG 69 CZ 0.0030 0.0009 -0.0016 387 ARG 69 NH1 0.0034 0.0001 -0.0017 388 ARG 69 NH2 0.0033 0.0008 -0.0017 389 ARG 69 H -0.0009 0.0026 0.0000 390 ARG 69 HA -0.0011 0.0031 0.0001 391 ARG 69 HB3 0.0004 0.0017 -0.0005 392 ARG 69 HB2 0.0003 0.0014 -0.0004 393 ARG 69 HG3 0.0005 0.0035 -0.0007 394 ARG 69 HG2 0.0009 0.0036 -0.0009 395 ARG 69 HD3 0.0019 0.0025 -0.0012 396 ARG 69 HD2 0.0024 0.0034 -0.0016 397 ARG 69 HH22 0.0038 0.0001 -0.0019 398 ARG 69 HH21 0.0030 0.0014 -0.0016 399 ARG 69 HH12 0.0038 -0.0006 -0.0018 400 ARG 69 HH11 0.0031 0.0002 -0.0016 401 ARG 69 HE 0.0022 0.0018 -0.0013 402 SER 70 N -0.0022 0.0009 0.0008 403 SER 70 CA -0.0028 -0.0001 0.0012 404 SER 70 C -0.0036 0.0003 0.0016 405 SER 70 O -0.0041 0.0012 0.0017 406 SER 70 CB -0.0033 -0.0006 0.0015 407 SER 70 OG -0.0039 -0.0015 0.0019 408 SER 70 H -0.0024 0.0012 0.0009 409 SER 70 HA -0.0023 -0.0007 0.0010 410 SER 70 HB3 -0.0037 0.0000 0.0016 411 SER 70 HB2 -0.0027 -0.0010 0.0012 412 SER 70 HG -0.0036 -0.0022 0.0018 413 THR 71 N -0.0055 0.0007 -0.0002 414 THR 71 CA -0.0053 0.0010 0.0001 415 THR 71 C -0.0050 0.0008 0.0005 416 THR 71 O -0.0048 0.0010 0.0007 417 THR 71 CB -0.0054 0.0015 0.0003 418 THR 71 OG1 -0.0053 0.0014 0.0003 419 THR 71 CG2 -0.0058 0.0018 -0.0000 420 THR 71 H -0.0056 0.0008 -0.0002 421 THR 71 HA -0.0055 0.0011 0.0001 422 THR 71 HB -0.0053 0.0017 0.0005 423 THR 71 HG1 -0.0055 0.0013 0.0001 424 THR 71 HG21 -0.0058 0.0021 0.0001 425 THR 71 HG22 -0.0059 0.0019 -0.0000 426 THR 71 HG23 -0.0060 0.0016 -0.0003 427 SER 72 N -0.0048 0.0005 0.0005 428 SER 72 CA -0.0044 0.0002 0.0007 429 SER 72 C -0.0044 -0.0003 0.0005 430 SER 72 O -0.0043 -0.0006 0.0005 431 SER 72 CB -0.0043 0.0003 0.0010 432 SER 72 OG -0.0045 0.0002 0.0007 433 SER 72 H -0.0049 0.0004 0.0003 434 SER 72 HA -0.0043 0.0003 0.0009 435 SER 72 HB3 -0.0043 0.0006 0.0011 436 SER 72 HB2 -0.0040 0.0001 0.0012 437 SER 72 HG -0.0045 -0.0001 0.0006 438 PRO 73 N -0.0034 -0.0075 -0.0015 439 PRO 73 CA -0.0038 -0.0092 -0.0019 440 PRO 73 C -0.0019 -0.0099 -0.0022 441 PRO 73 O -0.0002 -0.0096 -0.0022 442 PRO 73 CB -0.0047 -0.0108 -0.0022 443 PRO 73 CG -0.0037 -0.0104 -0.0022 444 PRO 73 CD -0.0036 -0.0081 -0.0016 445 PRO 73 HA -0.0049 -0.0088 -0.0017 446 PRO 73 HB3 -0.0064 -0.0106 -0.0021 447 PRO 73 HB2 -0.0045 -0.0123 -0.0026 448 PRO 73 HG3 -0.0046 -0.0110 -0.0023 449 PRO 73 HG2 -0.0022 -0.0110 -0.0025 450 PRO 73 HD2 -0.0023 -0.0076 -0.0016 451 PRO 73 HD3 -0.0049 -0.0075 -0.0014 452 TRP 74 N -0.0022 -0.0108 -0.0024 453 TRP 74 CA -0.0006 -0.0114 -0.0027 454 TRP 74 C -0.0010 -0.0135 -0.0031 455 TRP 74 O -0.0027 -0.0143 -0.0032 456 TRP 74 CB -0.0002 -0.0098 -0.0023 457 TRP 74 CG -0.0017 -0.0095 -0.0021 458 TRP 74 CD1 -0.0018 -0.0104 -0.0023 459 TRP 74 CD2 -0.0035 -0.0081 -0.0016 460 TRP 74 NE1 -0.0034 -0.0096 -0.0020 461 TRP 74 CE2 -0.0045 -0.0082 -0.0016 462 TRP 74 CE3 -0.0042 -0.0068 -0.0013 463 TRP 74 CZ2 -0.0062 -0.0071 -0.0012 464 TRP 74 CZ3 -0.0060 -0.0056 -0.0009 465 TRP 74 CH2 -0.0070 -0.0058 -0.0008 466 TRP 74 H -0.0036 -0.0112 -0.0024 467 TRP 74 HA 0.0008 -0.0116 -0.0028 468 TRP 74 HB3 0.0001 -0.0084 -0.0019 469 TRP 74 HB2 0.0013 -0.0101 -0.0025 470 TRP 74 HD1 -0.0008 -0.0115 -0.0027 471 TRP 74 HE1 -0.0037 -0.0100 -0.0021 472 TRP 74 HE3 -0.0035 -0.0066 -0.0013 473 TRP 74 HZ2 -0.0070 -0.0072 -0.0012 474 TRP 74 HZ3 -0.0065 -0.0046 -0.0006 475 TRP 74 HH2 -0.0083 -0.0049 -0.0005 476 ASN 75 N 0.0014 -0.0239 -0.0014 477 ASN 75 CA 0.0007 -0.0251 -0.0004 478 ASN 75 C 0.0006 -0.0228 -0.0010 479 ASN 75 O 0.0020 -0.0212 -0.0026 480 ASN 75 CB 0.0023 -0.0278 -0.0010 481 ASN 75 CG 0.0022 -0.0304 -0.0002 482 ASN 75 OD1 0.0033 -0.0306 -0.0010 483 ASN 75 ND2 0.0010 -0.0323 0.0014 484 ASN 75 H 0.0027 -0.0227 -0.0028 485 ASN 75 HA -0.0010 -0.0255 0.0011 486 ASN 75 HB3 0.0019 -0.0284 -0.0005 487 ASN 75 HB2 0.0040 -0.0274 -0.0025 488 ASN 75 HD22 0.0009 -0.0340 0.0019 489 ASN 75 HD21 0.0002 -0.0322 0.0020 490 LEU 76 N -0.0011 -0.0226 0.0004 491 LEU 76 CA -0.0014 -0.0206 0.0000 492 LEU 76 C -0.0002 -0.0221 -0.0006 493 LEU 76 O -0.0004 -0.0245 0.0003 494 LEU 76 CB -0.0040 -0.0197 0.0019 495 LEU 76 CG -0.0054 -0.0179 0.0026 496 LEU 76 CD1 -0.0079 -0.0175 0.0046 497 LEU 76 CD2 -0.0046 -0.0151 0.0011 498 LEU 76 H -0.0021 -0.0241 0.0016 499 LEU 76 HA -0.0007 -0.0187 -0.0011 500 LEU 76 HB3 -0.0042 -0.0185 0.0018 501 LEU 76 HB2 -0.0047 -0.0216 0.0031 502 LEU 76 HG -0.0051 -0.0192 0.0028 503 LEU 76 HD11 -0.0089 -0.0173 0.0054 504 LEU 76 HD12 -0.0084 -0.0193 0.0055 505 LEU 76 HD13 -0.0085 -0.0156 0.0045 506 LEU 76 HD21 -0.0060 -0.0133 0.0018 507 LEU 76 HD22 -0.0034 -0.0146 0.0000 508 LEU 76 HD23 -0.0037 -0.0152 0.0004 509 HIS 77 N 0.0021 -0.0222 -0.0017 510 HIS 77 CA 0.0010 -0.0197 -0.0037 511 HIS 77 C -0.0011 -0.0139 -0.0030 512 HIS 77 O -0.0019 -0.0121 -0.0037 513 HIS 77 CB 0.0010 -0.0213 -0.0098 514 HIS 77 CG 0.0030 -0.0271 -0.0108 515 HIS 77 ND1 0.0043 -0.0305 -0.0107 516 HIS 77 CD2 0.0040 -0.0300 -0.0117 517 HIS 77 CE1 0.0060 -0.0352 -0.0114 518 HIS 77 NE2 0.0059 -0.0352 -0.0122 519 HIS 77 H 0.0015 -0.0212 -0.0037 520 HIS 77 HA 0.0016 -0.0208 -0.0014 521 HIS 77 HB3 0.0001 -0.0194 -0.0113 522 HIS 77 HB2 0.0002 -0.0200 -0.0123 523 HIS 77 HD1 0.0041 -0.0297 -0.0100 524 HIS 77 HD2 0.0035 -0.0288 -0.0120 525 HIS 77 HE1 0.0073 -0.0387 -0.0113 526 ARG 78 N -0.0020 -0.0112 -0.0013 527 ARG 78 CA -0.0039 -0.0056 0.0000 528 ARG 78 C -0.0055 -0.0026 -0.0052 529 ARG 78 O -0.0056 -0.0032 -0.0077 530 ARG 78 CB -0.0039 -0.0045 0.0043 531 ARG 78 CG -0.0057 0.0010 0.0068 532 ARG 78 CD -0.0055 0.0017 0.0113 533 ARG 78 NE -0.0073 0.0071 0.0132 534 ARG 78 CZ -0.0088 0.0107 0.0110 535 ARG 78 NH1 -0.0104 0.0154 0.0132 536 ARG 78 NH2 -0.0089 0.0096 0.0065 537 ARG 78 H -0.0013 -0.0129 -0.0012 538 ARG 78 HA -0.0041 -0.0046 0.0018 539 ARG 78 HB3 -0.0037 -0.0053 0.0025 540 ARG 78 HB2 -0.0025 -0.0072 0.0076 541 ARG 78 HG3 -0.0056 0.0014 0.0088 542 ARG 78 HG2 -0.0071 0.0039 0.0038 543 ARG 78 HD3 -0.0048 -0.0003 0.0103 544 ARG 78 HD2 -0.0044 -0.0002 0.0149 545 ARG 78 HH22 -0.0102 0.0125 0.0045 546 ARG 78 HH21 -0.0078 0.0061 0.0045 547 ARG 78 HH12 -0.0117 0.0183 0.0109 548 ARG 78 HH11 -0.0104 0.0166 0.0168 549 ARG 78 HE -0.0074 0.0082 0.0164 550 ASN 79 N -0.0115 0.0017 -0.0048 551 ASN 79 CA -0.0150 0.0030 -0.0074 552 ASN 79 C -0.0145 0.0076 -0.0060 553 ASN 79 O -0.0119 0.0075 -0.0039 554 ASN 79 CB -0.0156 -0.0011 -0.0088 555 ASN 79 CG -0.0193 -0.0005 -0.0117 556 ASN 79 OD1 -0.0203 0.0029 -0.0117 557 ASN 79 ND2 -0.0214 -0.0038 -0.0142 558 ASN 79 H -0.0093 0.0005 -0.0033 559 ASN 79 HA -0.0173 0.0037 -0.0092 560 ASN 79 HB3 -0.0134 -0.0016 -0.0071 561 ASN 79 HB2 -0.0154 -0.0043 -0.0093 562 ASN 79 HD22 -0.0239 -0.0037 -0.0161 563 ASN 79 HD21 -0.0203 -0.0071 -0.0139 564 GLU 80 N -0.0169 0.0114 -0.0072 565 GLU 80 CA -0.0168 0.0160 -0.0060 566 GLU 80 C -0.0204 0.0175 -0.0087 567 GLU 80 O -0.0234 0.0168 -0.0112 568 GLU 80 CB -0.0160 0.0196 -0.0046 569 GLU 80 CG -0.0158 0.0246 -0.0033 570 GLU 80 CD -0.0142 0.0278 -0.0014 571 GLU 80 OE1 -0.0150 0.0274 -0.0021 572 GLU 80 OE2 -0.0117 0.0301 0.0011 573 GLU 80 H -0.0192 0.0112 -0.0091 574 GLU 80 HA -0.0145 0.0157 -0.0042 575 GLU 80 HB3 -0.0181 0.0198 -0.0063 576 GLU 80 HB2 -0.0134 0.0183 -0.0027 577 GLU 80 HG3 -0.0140 0.0243 -0.0020 578 GLU 80 HG2 -0.0185 0.0263 -0.0052 579 ASP 81 N -0.0187 0.0195 -0.0073 580 ASP 81 CA -0.0212 0.0177 -0.0067 581 ASP 81 C -0.0175 0.0190 -0.0073 582 ASP 81 O -0.0134 0.0165 -0.0071 583 ASP 81 CB -0.0223 0.0120 -0.0054 584 ASP 81 CG -0.0247 0.0092 -0.0046 585 ASP 81 OD1 -0.0250 0.0110 -0.0050 586 ASP 81 OD2 -0.0260 0.0047 -0.0036 587 ASP 81 H -0.0148 0.0194 -0.0076 588 ASP 81 HA -0.0249 0.0197 -0.0069 589 ASP 81 HB3 -0.0186 0.0101 -0.0053 590 ASP 81 HB2 -0.0247 0.0114 -0.0051 591 PRO 82 N -0.0188 0.0229 -0.0080 592 PRO 82 CA -0.0152 0.0244 -0.0086 593 PRO 82 C -0.0147 0.0206 -0.0078 594 PRO 82 O -0.0108 0.0207 -0.0082 595 PRO 82 CB -0.0175 0.0295 -0.0095 596 PRO 82 CG -0.0233 0.0292 -0.0090 597 PRO 82 CD -0.0234 0.0261 -0.0084 598 PRO 82 HA -0.0114 0.0251 -0.0090 599 PRO 82 HB3 -0.0158 0.0326 -0.0103 600 PRO 82 HB2 -0.0169 0.0303 -0.0098 601 PRO 82 HG3 -0.0252 0.0329 -0.0097 602 PRO 82 HG2 -0.0252 0.0272 -0.0085 603 PRO 82 HD2 -0.0270 0.0239 -0.0076 604 PRO 82 HD3 -0.0232 0.0285 -0.0089 605 GLU 83 N -0.0139 0.0099 -0.0028 606 GLU 83 CA -0.0139 0.0077 -0.0023 607 GLU 83 C -0.0125 0.0056 -0.0022 608 GLU 83 O -0.0124 0.0036 -0.0018 609 GLU 83 CB -0.0165 0.0072 -0.0016 610 GLU 83 CG -0.0178 0.0091 -0.0017 611 GLU 83 CD -0.0165 0.0091 -0.0020 612 GLU 83 OE1 -0.0164 0.0071 -0.0016 613 GLU 83 OE2 -0.0156 0.0110 -0.0026 614 GLU 83 H -0.0153 0.0101 -0.0025 615 GLU 83 HA -0.0129 0.0080 -0.0026 616 GLU 83 HB3 -0.0166 0.0054 -0.0011 617 GLU 83 HB2 -0.0176 0.0072 -0.0013 618 GLU 83 HG3 -0.0197 0.0086 -0.0011 619 GLU 83 HG2 -0.0178 0.0109 -0.0021 620 ARG 84 N -0.0114 0.0059 -0.0025 621 ARG 84 CA -0.0101 0.0040 -0.0024 622 ARG 84 C -0.0074 0.0046 -0.0032 623 ARG 84 O -0.0068 0.0068 -0.0038 624 ARG 84 CB -0.0114 0.0039 -0.0021 625 ARG 84 CG -0.0104 0.0020 -0.0019 626 ARG 84 CD -0.0118 0.0021 -0.0015 627 ARG 84 NE -0.0113 0.0043 -0.0022 628 ARG 84 CZ -0.0128 0.0054 -0.0021 629 ARG 84 NH1 -0.0121 0.0074 -0.0027 630 ARG 84 NH2 -0.0150 0.0046 -0.0014 631 ARG 84 H -0.0115 0.0076 -0.0029 632 ARG 84 HA -0.0102 0.0023 -0.0020 633 ARG 84 HB3 -0.0114 0.0057 -0.0025 634 ARG 84 HB2 -0.0133 0.0036 -0.0015 635 ARG 84 HG3 -0.0104 0.0002 -0.0015 636 ARG 84 HG2 -0.0085 0.0023 -0.0024 637 ARG 84 HD3 -0.0138 0.0023 -0.0011 638 ARG 84 HD2 -0.0116 0.0004 -0.0012 639 ARG 84 HH22 -0.0161 0.0056 -0.0013 640 ARG 84 HH21 -0.0157 0.0033 -0.0009 641 ARG 84 HH12 -0.0132 0.0083 -0.0026 642 ARG 84 HH11 -0.0107 0.0084 -0.0033 643 ARG 84 HE -0.0096 0.0048 -0.0027 644 TYR 85 N -0.0054 0.0025 0.0008 645 TYR 85 CA -0.0033 0.0026 0.0007 646 TYR 85 C -0.0028 0.0008 0.0009 647 TYR 85 O -0.0033 -0.0010 0.0012 648 TYR 85 CB -0.0019 0.0026 0.0006 649 TYR 85 CG 0.0004 0.0026 0.0005 650 TYR 85 CD1 0.0015 0.0008 0.0006 651 TYR 85 CD2 0.0014 0.0045 0.0002 652 TYR 85 CE1 0.0035 0.0009 0.0005 653 TYR 85 CE2 0.0035 0.0046 0.0000 654 TYR 85 CZ 0.0045 0.0028 0.0002 655 TYR 85 OH 0.0065 0.0029 0.0001 656 TYR 85 H -0.0060 0.0011 0.0011 657 TYR 85 HA -0.0029 0.0040 0.0005 658 TYR 85 HB3 -0.0022 0.0013 0.0008 659 TYR 85 HB2 -0.0023 0.0039 0.0005 660 TYR 85 HD1 0.0007 -0.0006 0.0009 661 TYR 85 HD2 0.0006 0.0059 0.0000 662 TYR 85 HE1 0.0043 -0.0005 0.0006 663 TYR 85 HE2 0.0043 0.0060 -0.0002 664 TYR 85 HH 0.0072 0.0016 0.0002 665 PRO 86 N -0.0020 0.0011 0.0008 666 PRO 86 CA -0.0015 0.0031 0.0005 667 PRO 86 C -0.0035 0.0043 0.0005 668 PRO 86 O -0.0050 0.0034 0.0007 669 PRO 86 CB -0.0003 0.0025 0.0005 670 PRO 86 CG -0.0011 0.0004 0.0009 671 PRO 86 CD -0.0015 -0.0006 0.0010 672 PRO 86 HA -0.0005 0.0039 0.0004 673 PRO 86 HB3 0.0013 0.0024 0.0004 674 PRO 86 HB2 -0.0005 0.0035 0.0004 675 PRO 86 HG3 -0.0000 -0.0005 0.0009 676 PRO 86 HG2 -0.0025 0.0005 0.0009 677 PRO 86 HD2 -0.0027 -0.0017 0.0012 678 PRO 86 HD3 -0.0001 -0.0014 0.0010 679 SER 87 N -0.0051 0.0132 0.0021 680 SER 87 CA -0.0078 0.0147 0.0004 681 SER 87 CA -0.0077 0.0147 0.0004 682 SER 87 C -0.0087 0.0131 0.0001 683 SER 87 O -0.0115 0.0126 -0.0014 684 SER 87 CB -0.0072 0.0188 0.0001 685 SER 87 CB -0.0069 0.0186 0.0003 686 SER 87 OG -0.0099 0.0204 -0.0017 687 SER 87 OG -0.0045 0.0191 0.0016 688 SER 87 H -0.0032 0.0149 0.0030 689 SER 87 HA -0.0098 0.0141 -0.0007 690 SER 87 HA -0.0097 0.0145 -0.0007 691 SER 87 HB3 -0.0053 0.0196 0.0011 692 SER 87 HB3 -0.0063 0.0201 0.0004 693 SER 87 HB2 -0.0066 0.0198 0.0003 694 SER 87 HB2 -0.0090 0.0197 -0.0011 695 SER 87 HG -0.0116 0.0195 -0.0025 696 SER 87 HG -0.0041 0.0216 0.0015 697 VAL 88 N -0.0064 0.0119 0.0016 698 VAL 88 CA -0.0069 0.0101 0.0016 699 VAL 88 C -0.0062 0.0062 0.0025 700 VAL 88 O -0.0037 0.0056 0.0040 701 VAL 88 CB -0.0047 0.0118 0.0026 702 VAL 88 CG1 -0.0049 0.0098 0.0028 703 VAL 88 CG2 -0.0052 0.0157 0.0017 704 VAL 88 H -0.0042 0.0119 0.0028 705 VAL 88 HA -0.0093 0.0103 0.0002 706 VAL 88 HB -0.0023 0.0117 0.0040 707 VAL 88 HG11 -0.0035 0.0112 0.0033 708 VAL 88 HG12 -0.0040 0.0071 0.0036 709 VAL 88 HG13 -0.0073 0.0094 0.0014 710 VAL 88 HG21 -0.0037 0.0169 0.0024 711 VAL 88 HG22 -0.0076 0.0160 0.0003 712 VAL 88 HG23 -0.0049 0.0172 0.0017 713 ILE 89 N -0.0081 0.0010 0.0014 714 ILE 89 CA -0.0075 -0.0009 0.0011 715 ILE 89 C -0.0065 -0.0035 0.0011 716 ILE 89 O -0.0067 -0.0037 0.0003 717 ILE 89 CB -0.0081 -0.0007 -0.0015 718 ILE 89 CG1 -0.0090 0.0018 -0.0013 719 ILE 89 CG2 -0.0075 -0.0030 -0.0022 720 ILE 89 CD1 -0.0098 0.0023 -0.0039 721 ILE 89 H -0.0082 0.0006 0.0003 722 ILE 89 HA -0.0071 -0.0007 0.0028 723 ILE 89 HB -0.0085 -0.0007 -0.0031 724 ILE 89 HG13 -0.0095 0.0034 -0.0009 725 ILE 89 HG12 -0.0086 0.0018 0.0003 726 ILE 89 HG21 -0.0080 -0.0028 -0.0040 727 ILE 89 HG22 -0.0069 -0.0048 -0.0025 728 ILE 89 HG23 -0.0071 -0.0032 -0.0007 729 ILE 89 HD11 -0.0105 0.0043 -0.0039 730 ILE 89 HD12 -0.0099 0.0016 -0.0056 731 ILE 89 HD13 -0.0094 0.0013 -0.0039 732 TRP 90 N -0.0056 -0.0054 0.0021 733 TRP 90 CA -0.0047 -0.0080 0.0021 734 TRP 90 C -0.0045 -0.0097 0.0003 735 TRP 90 O -0.0044 -0.0098 0.0006 736 TRP 90 CB -0.0037 -0.0089 0.0049 737 TRP 90 CG -0.0037 -0.0076 0.0068 738 TRP 90 CD1 -0.0041 -0.0054 0.0083 739 TRP 90 CD2 -0.0034 -0.0084 0.0072 740 TRP 90 NE1 -0.0040 -0.0048 0.0097 741 TRP 90 CE2 -0.0035 -0.0066 0.0091 742 TRP 90 CE3 -0.0029 -0.0104 0.0062 743 TRP 90 CZ2 -0.0032 -0.0069 0.0100 744 TRP 90 CZ3 -0.0026 -0.0107 0.0071 745 TRP 90 CH2 -0.0027 -0.0089 0.0090 746 TRP 90 H -0.0056 -0.0052 0.0026 747 TRP 90 HA -0.0048 -0.0081 0.0014 748 TRP 90 HB3 -0.0030 -0.0109 0.0049 749 TRP 90 HB2 -0.0036 -0.0087 0.0058 750 TRP 90 HD1 -0.0045 -0.0044 0.0084 751 TRP 90 HE1 -0.0042 -0.0034 0.0111 752 TRP 90 HE3 -0.0028 -0.0118 0.0047 753 TRP 90 HZ2 -0.0034 -0.0055 0.0115 754 TRP 90 HZ3 -0.0022 -0.0123 0.0063 755 TRP 90 HH2 -0.0025 -0.0092 0.0097 756 GLU 91 N -0.0061 -0.0106 -0.0032 757 GLU 91 CA -0.0046 -0.0100 -0.0052 758 GLU 91 C -0.0032 -0.0117 -0.0050 759 GLU 91 O -0.0023 -0.0136 -0.0042 760 GLU 91 CB -0.0034 -0.0096 -0.0067 761 GLU 91 CG -0.0049 -0.0077 -0.0069 762 GLU 91 CD -0.0038 -0.0072 -0.0084 763 GLU 91 OE1 -0.0022 -0.0087 -0.0086 764 GLU 91 OE2 -0.0047 -0.0053 -0.0092 765 GLU 91 H -0.0055 -0.0118 -0.0027 766 GLU 91 HA -0.0054 -0.0085 -0.0057 767 GLU 91 HB3 -0.0022 -0.0092 -0.0081 768 GLU 91 HB2 -0.0026 -0.0110 -0.0062 769 GLU 91 HG3 -0.0060 -0.0081 -0.0055 770 GLU 91 HG2 -0.0057 -0.0063 -0.0074 771 ALA 92 N -0.0030 -0.0111 -0.0057 772 ALA 92 CA -0.0017 -0.0125 -0.0057 773 ALA 92 C 0.0006 -0.0129 -0.0074 774 ALA 92 O 0.0010 -0.0114 -0.0092 775 ALA 92 CB -0.0025 -0.0114 -0.0059 776 ALA 92 H -0.0039 -0.0095 -0.0063 777 ALA 92 HA -0.0018 -0.0140 -0.0043 778 ALA 92 HB1 -0.0015 -0.0125 -0.0059 779 ALA 92 HB2 -0.0041 -0.0111 -0.0047 780 ALA 92 HB3 -0.0024 -0.0099 -0.0073 781 LYS 93 N 0.0027 -0.0109 -0.0044 782 LYS 93 CA 0.0096 -0.0124 -0.0084 783 LYS 93 C 0.0036 -0.0165 -0.0058 784 LYS 93 O -0.0026 -0.0242 -0.0038 785 LYS 93 CB 0.0168 -0.0208 -0.0136 786 LYS 93 CG 0.0253 -0.0222 -0.0183 787 LYS 93 CD 0.0318 -0.0311 -0.0233 788 LYS 93 CE 0.0407 -0.0320 -0.0282 789 LYS 93 NZ 0.0465 -0.0412 -0.0328 790 LYS 93 H -0.0025 -0.0171 -0.0027 791 LYS 93 HA 0.0138 -0.0047 -0.0093 792 LYS 93 HB3 0.0127 -0.0287 -0.0127 793 LYS 93 HB2 0.0199 -0.0184 -0.0148 794 LYS 93 HG3 0.0296 -0.0144 -0.0193 795 LYS 93 HG2 0.0224 -0.0243 -0.0171 796 LYS 93 HD3 0.0274 -0.0389 -0.0222 797 LYS 93 HD2 0.0343 -0.0293 -0.0243 798 LYS 93 HE3 0.0454 -0.0244 -0.0294 799 LYS 93 HE2 0.0382 -0.0332 -0.0271 800 LYS 93 HZ1 0.0424 -0.0483 -0.0318 801 LYS 93 HZ2 0.0524 -0.0414 -0.0360 802 LYS 93 HZ3 0.0488 -0.0401 -0.0338 803 CYS 94 N 0.0056 -0.0113 -0.0060 804 CYS 94 CA 0.0007 -0.0144 -0.0039 805 CYS 94 C 0.0039 -0.0256 -0.0075 806 CYS 94 O 0.0124 -0.0279 -0.0124 807 CYS 94 CB 0.0029 -0.0054 -0.0036 808 CYS 94 SG 0.0031 0.0087 -0.0014 809 CYS 94 H 0.0106 -0.0048 -0.0076 810 CYS 94 HA -0.0072 -0.0151 0.0002 811 CYS 94 HB3 -0.0025 -0.0066 -0.0009 812 CYS 94 HB2 0.0100 -0.0064 -0.0076 813 ARG 95 N 0.0044 -0.0146 -0.0060 814 ARG 95 CA 0.0041 -0.0161 -0.0069 815 ARG 95 C 0.0045 -0.0160 -0.0070 816 ARG 95 O 0.0048 -0.0171 -0.0079 817 ARG 95 CB 0.0023 -0.0170 -0.0067 818 ARG 95 CG 0.0018 -0.0173 -0.0067 819 ARG 95 CD 0.0001 -0.0183 -0.0066 820 ARG 95 NE -0.0004 -0.0184 -0.0064 821 ARG 95 CZ -0.0019 -0.0188 -0.0060 822 ARG 95 NH1 -0.0033 -0.0194 -0.0058 823 ARG 95 NH2 -0.0020 -0.0186 -0.0059 824 ARG 95 H 0.0033 -0.0142 -0.0053 825 ARG 95 HA 0.0050 -0.0167 -0.0077 826 ARG 95 HB3 0.0021 -0.0181 -0.0074 827 ARG 95 HB2 0.0014 -0.0164 -0.0059 828 ARG 95 HG3 0.0021 -0.0163 -0.0062 829 ARG 95 HG2 0.0027 -0.0180 -0.0076 830 ARG 95 HD3 0.0000 -0.0195 -0.0074 831 ARG 95 HD2 -0.0008 -0.0180 -0.0059 832 ARG 95 HH22 -0.0031 -0.0190 -0.0056 833 ARG 95 HH21 -0.0011 -0.0178 -0.0058 834 ARG 95 HH12 -0.0044 -0.0197 -0.0055 835 ARG 95 HH11 -0.0033 -0.0194 -0.0058 836 ARG 95 HE 0.0006 -0.0182 -0.0068 837 HIS 96 N 0.0042 -0.0148 -0.0061 838 HIS 96 CA 0.0043 -0.0146 -0.0059 839 HIS 96 C 0.0054 -0.0130 -0.0054 840 HIS 96 O 0.0058 -0.0120 -0.0049 841 HIS 96 CB 0.0024 -0.0147 -0.0052 842 HIS 96 CG 0.0012 -0.0161 -0.0056 843 HIS 96 ND1 0.0012 -0.0175 -0.0066 844 HIS 96 CD2 -0.0001 -0.0163 -0.0052 845 HIS 96 CE1 -0.0001 -0.0185 -0.0067 846 HIS 96 NE2 -0.0009 -0.0179 -0.0059 847 HIS 96 H 0.0041 -0.0138 -0.0054 848 HIS 96 HA 0.0048 -0.0155 -0.0068 849 HIS 96 HB3 0.0024 -0.0146 -0.0051 850 HIS 96 HB2 0.0020 -0.0137 -0.0043 851 HIS 96 HD1 0.0019 -0.0178 -0.0071 852 HIS 96 HD2 -0.0005 -0.0155 -0.0044 853 HIS 96 HE1 -0.0004 -0.0198 -0.0074 854 LEU 97 N 0.0088 -0.0140 -0.0071 855 LEU 97 CA 0.0119 -0.0080 -0.0055 856 LEU 97 C 0.0071 -0.0037 -0.0031 857 LEU 97 O 0.0070 0.0013 -0.0013 858 LEU 97 CB 0.0173 -0.0084 -0.0066 859 LEU 97 CG 0.0226 -0.0125 -0.0089 860 LEU 97 CD1 0.0271 -0.0132 -0.0100 861 LEU 97 CD2 0.0261 -0.0102 -0.0087 862 LEU 97 H 0.0089 -0.0168 -0.0081 863 LEU 97 HA 0.0138 -0.0063 -0.0052 864 LEU 97 HB3 0.0194 -0.0039 -0.0053 865 LEU 97 HB2 0.0154 -0.0098 -0.0068 866 LEU 97 HG 0.0205 -0.0169 -0.0102 867 LEU 97 HD11 0.0310 -0.0159 -0.0116 868 LEU 97 HD12 0.0248 -0.0155 -0.0104 869 LEU 97 HD13 0.0291 -0.0089 -0.0088 870 LEU 97 HD21 0.0311 -0.0100 -0.0095 871 LEU 97 HD22 0.0248 -0.0057 -0.0069 872 LEU 97 HD23 0.0249 -0.0132 -0.0096 873 GLY 98 N 0.0031 -0.0058 -0.0032 874 GLY 98 CA -0.0019 -0.0025 -0.0011 875 GLY 98 C -0.0079 -0.0032 -0.0003 876 GLY 98 O -0.0077 -0.0055 -0.0012 877 GLY 98 H 0.0033 -0.0101 -0.0047 878 GLY 98 HA3 -0.0029 -0.0041 -0.0015 879 GLY 98 HA2 -0.0005 0.0023 0.0003 880 CYS 99 N -0.0057 -0.0010 -0.0016 881 CYS 99 CA -0.0063 -0.0011 -0.0020 882 CYS 99 C -0.0068 -0.0011 -0.0022 883 CYS 99 O -0.0067 -0.0008 -0.0021 884 CYS 99 CB -0.0066 -0.0006 -0.0019 885 CYS 99 SG -0.0061 -0.0005 -0.0016 886 CYS 99 H -0.0057 -0.0006 -0.0015 887 CYS 99 HA -0.0063 -0.0016 -0.0021 888 CYS 99 HB3 -0.0070 -0.0006 -0.0022 889 CYS 99 HB2 -0.0067 -0.0001 -0.0018 890 ILE 100 N -0.0073 -0.0014 -0.0026 891 ILE 100 CA -0.0078 -0.0015 -0.0029 892 ILE 100 C -0.0083 -0.0008 -0.0029 893 ILE 100 O -0.0085 -0.0007 -0.0029 894 ILE 100 CB -0.0081 -0.0021 -0.0033 895 ILE 100 CG1 -0.0076 -0.0027 -0.0033 896 ILE 100 CG2 -0.0086 -0.0021 -0.0035 897 ILE 100 CD1 -0.0072 -0.0028 -0.0031 898 ILE 100 H -0.0073 -0.0017 -0.0027 899 ILE 100 HA -0.0076 -0.0015 -0.0028 900 ILE 100 HB -0.0083 -0.0020 -0.0034 901 ILE 100 HG13 -0.0079 -0.0031 -0.0035 902 ILE 100 HG12 -0.0073 -0.0027 -0.0031 903 ILE 100 HG21 -0.0088 -0.0026 -0.0038 904 ILE 100 HG22 -0.0090 -0.0017 -0.0036 905 ILE 100 HG23 -0.0085 -0.0021 -0.0035 906 ILE 100 HD11 -0.0071 -0.0034 -0.0032 907 ILE 100 HD12 -0.0074 -0.0026 -0.0031 908 ILE 100 HD13 -0.0068 -0.0026 -0.0028 909 ASN 101 N -0.0037 -0.0014 -0.0055 910 ASN 101 CA 0.0009 -0.0056 -0.0072 911 ASN 101 C 0.0072 -0.0037 -0.0049 912 ASN 101 O 0.0078 0.0009 -0.0020 913 ASN 101 CB -0.0003 -0.0082 -0.0090 914 ASN 101 CG 0.0021 -0.0059 -0.0071 915 ASN 101 OD1 0.0032 -0.0013 -0.0042 916 ASN 101 ND2 0.0032 -0.0090 -0.0088 917 ASN 101 H -0.0051 0.0009 -0.0044 918 ASN 101 HA 0.0010 -0.0086 -0.0089 919 ASN 101 HB3 -0.0051 -0.0085 -0.0100 920 ASN 101 HB2 0.0016 -0.0123 -0.0110 921 ASN 101 HD22 0.0056 -0.0078 -0.0076 922 ASN 101 HD21 0.0025 -0.0128 -0.0112 923 ALA 102 N 0.0119 -0.0072 -0.0061 924 ALA 102 CA 0.0182 -0.0060 -0.0043 925 ALA 102 C 0.0199 -0.0019 -0.0015 926 ALA 102 O 0.0239 0.0009 0.0009 927 ALA 102 CB 0.0223 -0.0111 -0.0066 928 ALA 102 H 0.0112 -0.0109 -0.0084 929 ALA 102 HA 0.0190 -0.0045 -0.0032 930 ALA 102 HB1 0.0270 -0.0104 -0.0053 931 ALA 102 HB2 0.0214 -0.0140 -0.0084 932 ALA 102 HB3 0.0216 -0.0129 -0.0078 933 ASP 103 N 0.0210 -0.0095 -0.0036 934 ASP 103 CA 0.0217 -0.0067 -0.0016 935 ASP 103 C 0.0185 0.0001 0.0008 936 ASP 103 O 0.0188 0.0031 0.0029 937 ASP 103 CB 0.0191 -0.0097 -0.0047 938 ASP 103 CG 0.0206 -0.0166 -0.0080 939 ASP 103 OD1 0.0259 -0.0195 -0.0071 940 ASP 103 OD2 0.0165 -0.0190 -0.0116 941 ASP 103 H 0.0178 -0.0121 -0.0067 942 ASP 103 HA 0.0267 -0.0071 0.0007 943 ASP 103 HB3 0.0210 -0.0083 -0.0029 944 ASP 103 HB2 0.0140 -0.0081 -0.0063 945 GLY 104 N 0.0151 0.0023 0.0004 946 GLY 104 CA 0.0114 0.0085 0.0023 947 GLY 104 C 0.0051 0.0095 -0.0003 948 GLY 104 O 0.0019 0.0146 0.0011 949 GLY 104 H 0.0148 -0.0006 -0.0014 950 GLY 104 HA3 0.0141 0.0116 0.0055 951 GLY 104 HA2 0.0105 0.0095 0.0024 952 ASN 105 N -0.0032 0.0018 -0.0079 953 ASN 105 CA -0.0050 0.0019 -0.0066 954 ASN 105 C -0.0053 -0.0002 -0.0059 955 ASN 105 O -0.0042 -0.0017 -0.0062 956 ASN 105 CB -0.0060 0.0024 -0.0060 957 ASN 105 CG -0.0063 0.0047 -0.0064 958 ASN 105 OD1 -0.0077 0.0056 -0.0056 959 ASN 105 ND2 -0.0049 0.0057 -0.0076 960 ASN 105 H -0.0028 0.0010 -0.0080 961 ASN 105 HA -0.0054 0.0031 -0.0066 962 ASN 105 HB3 -0.0073 0.0020 -0.0050 963 ASN 105 HB2 -0.0055 0.0015 -0.0061 964 ASN 105 HD22 -0.0050 0.0072 -0.0079 965 ASN 105 HD21 -0.0037 0.0050 -0.0083 966 VAL 106 N -0.0068 -0.0003 -0.0048 967 VAL 106 CA -0.0072 -0.0022 -0.0040 968 VAL 106 C -0.0081 -0.0033 -0.0031 969 VAL 106 O -0.0095 -0.0024 -0.0023 970 VAL 106 CB -0.0085 -0.0019 -0.0032 971 VAL 106 CG1 -0.0090 -0.0039 -0.0023 972 VAL 106 CG2 -0.0077 -0.0007 -0.0040 973 VAL 106 H -0.0077 0.0010 -0.0045 974 VAL 106 HA -0.0061 -0.0032 -0.0046 975 VAL 106 HB -0.0096 -0.0009 -0.0026 976 VAL 106 HG11 -0.0097 -0.0036 -0.0018 977 VAL 106 HG12 -0.0097 -0.0046 -0.0016 978 VAL 106 HG13 -0.0078 -0.0050 -0.0028 979 VAL 106 HG21 -0.0086 -0.0004 -0.0034 980 VAL 106 HG22 -0.0065 -0.0017 -0.0046 981 VAL 106 HG23 -0.0073 0.0007 -0.0046 982 ASP 107 N -0.0094 -0.0025 -0.0053 983 ASP 107 CA -0.0096 -0.0019 -0.0027 984 ASP 107 C -0.0071 -0.0018 -0.0024 985 ASP 107 O -0.0049 -0.0019 -0.0027 986 ASP 107 CB -0.0097 -0.0014 -0.0006 987 ASP 107 CG -0.0096 -0.0007 0.0021 988 ASP 107 OD1 -0.0103 -0.0006 0.0026 989 ASP 107 OD2 -0.0090 -0.0003 0.0038 990 ASP 107 H -0.0083 -0.0025 -0.0054 991 ASP 107 HA -0.0113 -0.0018 -0.0026 992 ASP 107 HB3 -0.0082 -0.0014 -0.0009 993 ASP 107 HB2 -0.0116 -0.0014 -0.0008 994 TYR 108 N -0.0075 -0.0017 -0.0018 995 TYR 108 CA -0.0055 -0.0016 -0.0014 996 TYR 108 C -0.0046 -0.0009 0.0013 997 TYR 108 O -0.0026 -0.0008 0.0018 998 TYR 108 CB -0.0064 -0.0018 -0.0026 999 TYR 108 CG -0.0088 -0.0015 -0.0013 1000 TYR 108 CD1 -0.0113 -0.0018 -0.0024 1001 TYR 108 CD2 -0.0085 -0.0010 0.0009 1002 TYR 108 CE1 -0.0135 -0.0015 -0.0012 1003 TYR 108 CE2 -0.0107 -0.0007 0.0021 1004 TYR 108 CZ -0.0132 -0.0009 0.0010 1005 TYR 108 OH -0.0154 -0.0006 0.0023 1006 TYR 108 H -0.0094 -0.0015 -0.0014 1007 TYR 108 HA -0.0037 -0.0018 -0.0025 1008 TYR 108 HB3 -0.0067 -0.0023 -0.0046 1009 TYR 108 HB2 -0.0048 -0.0018 -0.0024 1010 TYR 108 HD1 -0.0115 -0.0022 -0.0041 1011 TYR 108 HD2 -0.0066 -0.0008 0.0017 1012 TYR 108 HE1 -0.0154 -0.0016 -0.0020 1013 TYR 108 HE2 -0.0105 -0.0003 0.0038 1014 TYR 108 HH -0.0151 -0.0002 0.0041 1015 HIS 109 N -0.0070 0.0063 0.0028 1016 HIS 109 CA -0.0065 0.0074 0.0046 1017 HIS 109 C -0.0051 0.0082 0.0054 1018 HIS 109 O -0.0038 0.0091 0.0064 1019 HIS 109 CB -0.0084 0.0075 0.0061 1020 HIS 109 CG -0.0099 0.0067 0.0055 1021 HIS 109 ND1 -0.0115 0.0057 0.0046 1022 HIS 109 CD2 -0.0100 0.0067 0.0057 1023 HIS 109 CE1 -0.0125 0.0052 0.0043 1024 HIS 109 NE2 -0.0117 0.0058 0.0049 1025 HIS 109 H -0.0084 0.0058 0.0028 1026 HIS 109 HA -0.0056 0.0076 0.0044 1027 HIS 109 HB3 -0.0079 0.0083 0.0075 1028 HIS 109 HB2 -0.0091 0.0074 0.0064 1029 HIS 109 HD1 -0.0118 0.0054 0.0043 1030 HIS 109 HD2 -0.0090 0.0074 0.0063 1031 HIS 109 HE1 -0.0139 0.0044 0.0036 1032 MET 110 N -0.0052 0.0079 0.0048 1033 MET 110 CA -0.0039 0.0085 0.0052 1034 MET 110 C -0.0022 0.0082 0.0035 1035 MET 110 O -0.0023 0.0074 0.0020 1036 MET 110 CB -0.0052 0.0083 0.0057 1037 MET 110 CG -0.0068 0.0087 0.0075 1038 MET 110 SD -0.0057 0.0101 0.0097 1039 MET 110 CE -0.0051 0.0105 0.0100 1040 MET 110 H -0.0063 0.0071 0.0040 1041 MET 110 HA -0.0032 0.0094 0.0065 1042 MET 110 HB3 -0.0042 0.0087 0.0058 1043 MET 110 HB2 -0.0060 0.0074 0.0044 1044 MET 110 HG3 -0.0078 0.0084 0.0075 1045 MET 110 HG2 -0.0077 0.0083 0.0074 1046 MET 110 HE1 -0.0045 0.0113 0.0113 1047 MET 110 HE2 -0.0065 0.0100 0.0100 1048 MET 110 HE3 -0.0040 0.0103 0.0088 1049 ASN 111 N -0.0022 0.0089 0.0034 1050 ASN 111 CA -0.0004 0.0070 0.0029 1051 ASN 111 C -0.0018 0.0057 0.0021 1052 ASN 111 O -0.0028 0.0070 0.0025 1053 ASN 111 CB 0.0021 0.0081 0.0038 1054 ASN 111 CG 0.0039 0.0092 0.0046 1055 ASN 111 OD1 0.0058 0.0104 0.0054 1056 ASN 111 ND2 0.0036 0.0090 0.0045 1057 ASN 111 H -0.0031 0.0102 0.0038 1058 ASN 111 HA 0.0002 0.0056 0.0024 1059 ASN 111 HB3 0.0033 0.0066 0.0034 1060 ASN 111 HB2 0.0016 0.0095 0.0043 1061 ASN 111 HD22 0.0047 0.0098 0.0050 1062 ASN 111 HD21 0.0019 0.0082 0.0038 1063 SER 112 N -0.0016 0.0033 0.0011 1064 SER 112 CA -0.0021 0.0018 0.0003 1065 SER 112 C 0.0004 0.0017 0.0007 1066 SER 112 O 0.0025 0.0009 0.0008 1067 SER 112 CB -0.0024 -0.0009 -0.0009 1068 SER 112 OG -0.0050 -0.0012 -0.0015 1069 SER 112 H -0.0006 0.0024 0.0008 1070 SER 112 HA -0.0038 0.0025 0.0003 1071 SER 112 HB3 -0.0022 -0.0021 -0.0014 1072 SER 112 HB2 -0.0010 -0.0015 -0.0009 1073 SER 112 HG -0.0049 -0.0007 -0.0013 1074 VAL 113 N -0.0071 0.0020 -0.0012 1075 VAL 113 CA -0.0047 0.0019 -0.0008 1076 VAL 113 C -0.0046 0.0009 -0.0017 1077 VAL 113 O -0.0063 0.0011 -0.0019 1078 VAL 113 CB -0.0040 0.0038 0.0010 1079 VAL 113 CG1 -0.0036 0.0047 0.0020 1080 VAL 113 CG2 -0.0057 0.0050 0.0018 1081 VAL 113 H -0.0084 0.0025 -0.0010 1082 VAL 113 HA -0.0034 0.0013 -0.0012 1083 VAL 113 HB -0.0023 0.0036 0.0012 1084 VAL 113 HG11 -0.0031 0.0059 0.0033 1085 VAL 113 HG12 -0.0023 0.0039 0.0015 1086 VAL 113 HG13 -0.0052 0.0049 0.0018 1087 VAL 113 HG21 -0.0052 0.0062 0.0031 1088 VAL 113 HG22 -0.0075 0.0051 0.0017 1089 VAL 113 HG23 -0.0058 0.0044 0.0013 1090 PRO 114 N -0.0026 -0.0001 -0.0024 1091 PRO 114 CA -0.0022 -0.0010 -0.0032 1092 PRO 114 C -0.0018 0.0002 -0.0019 1093 PRO 114 O -0.0004 0.0012 -0.0007 1094 PRO 114 CB -0.0002 -0.0024 -0.0041 1095 PRO 114 CG 0.0013 -0.0017 -0.0031 1096 PRO 114 CD -0.0006 -0.0006 -0.0024 1097 PRO 114 HA -0.0038 -0.0017 -0.0040 1098 PRO 114 HB3 -0.0008 -0.0036 -0.0053 1099 PRO 114 HB2 0.0009 -0.0028 -0.0043 1100 PRO 114 HG3 0.0024 -0.0026 -0.0038 1101 PRO 114 HG2 0.0024 -0.0008 -0.0021 1102 PRO 114 HD2 0.0001 0.0006 -0.0012 1103 PRO 114 HD3 -0.0011 -0.0013 -0.0032 1104 ILE 115 N -0.0056 -0.0019 -0.0035 1105 ILE 115 CA -0.0059 -0.0012 -0.0034 1106 ILE 115 C -0.0060 -0.0009 -0.0034 1107 ILE 115 O -0.0062 -0.0012 -0.0031 1108 ILE 115 CB -0.0065 -0.0012 -0.0028 1109 ILE 115 CG1 -0.0065 -0.0014 -0.0028 1110 ILE 115 CG2 -0.0069 -0.0004 -0.0026 1111 ILE 115 CD1 -0.0071 -0.0016 -0.0022 1112 ILE 115 H -0.0058 -0.0023 -0.0032 1113 ILE 115 HA -0.0058 -0.0008 -0.0036 1114 ILE 115 HB -0.0067 -0.0016 -0.0025 1115 ILE 115 HG13 -0.0062 -0.0019 -0.0029 1116 ILE 115 HG12 -0.0064 -0.0010 -0.0030 1117 ILE 115 HG21 -0.0073 -0.0004 -0.0022 1118 ILE 115 HG22 -0.0070 -0.0003 -0.0026 1119 ILE 115 HG23 -0.0067 0.0000 -0.0029 1120 ILE 115 HD11 -0.0072 -0.0014 -0.0021 1121 ILE 115 HD12 -0.0070 -0.0022 -0.0021 1122 ILE 115 HD13 -0.0074 -0.0015 -0.0019 1123 GLN 116 N -0.0056 -0.0004 -0.0038 1124 GLN 116 CA -0.0056 -0.0001 -0.0039 1125 GLN 116 C -0.0060 0.0006 -0.0037 1126 GLN 116 O -0.0060 0.0010 -0.0038 1127 GLN 116 CB -0.0050 0.0000 -0.0045 1128 GLN 116 CG -0.0046 -0.0007 -0.0047 1129 GLN 116 CD -0.0041 -0.0006 -0.0052 1130 GLN 116 OE1 -0.0038 -0.0002 -0.0056 1131 GLN 116 NE2 -0.0041 -0.0011 -0.0052 1132 GLN 116 H -0.0055 -0.0002 -0.0040 1133 GLN 116 HA -0.0057 -0.0005 -0.0037 1134 GLN 116 HB3 -0.0050 0.0003 -0.0046 1135 GLN 116 HB2 -0.0049 0.0004 -0.0047 1136 GLN 116 HG3 -0.0045 -0.0008 -0.0048 1137 GLN 116 HG2 -0.0048 -0.0011 -0.0044 1138 GLN 116 HE22 -0.0038 -0.0010 -0.0055 1139 GLN 116 HE21 -0.0043 -0.0015 -0.0048 1140 GLN 117 N -0.0081 -0.0021 -0.0045 1141 GLN 117 CA -0.0080 -0.0019 -0.0042 1142 GLN 117 C -0.0083 -0.0014 -0.0045 1143 GLN 117 O -0.0084 -0.0010 -0.0046 1144 GLN 117 CB -0.0076 -0.0017 -0.0037 1145 GLN 117 CG -0.0073 -0.0014 -0.0033 1146 GLN 117 CD -0.0073 -0.0018 -0.0034 1147 GLN 117 OE1 -0.0071 -0.0023 -0.0033 1148 GLN 117 NE2 -0.0075 -0.0015 -0.0036 1149 GLN 117 H -0.0081 -0.0018 -0.0044 1150 GLN 117 HA -0.0079 -0.0023 -0.0042 1151 GLN 117 HB3 -0.0076 -0.0014 -0.0036 1152 GLN 117 HB2 -0.0073 -0.0021 -0.0035 1153 GLN 117 HG3 -0.0075 -0.0009 -0.0034 1154 GLN 117 HG2 -0.0070 -0.0013 -0.0030 1155 GLN 117 HE22 -0.0075 -0.0018 -0.0036 1156 GLN 117 HE21 -0.0076 -0.0011 -0.0037 1157 GLU 118 N -0.0084 -0.0013 -0.0046 1158 GLU 118 CA -0.0086 -0.0008 -0.0048 1159 GLU 118 C -0.0083 -0.0002 -0.0044 1160 GLU 118 O -0.0080 -0.0003 -0.0040 1161 GLU 118 CB -0.0087 -0.0009 -0.0050 1162 GLU 118 CG -0.0090 -0.0013 -0.0054 1163 GLU 118 CD -0.0092 -0.0013 -0.0057 1164 GLU 118 OE1 -0.0090 -0.0010 -0.0054 1165 GLU 118 OE2 -0.0095 -0.0014 -0.0061 1166 GLU 118 H -0.0082 -0.0017 -0.0045 1167 GLU 118 HA -0.0089 -0.0006 -0.0051 1168 GLU 118 HB3 -0.0088 -0.0004 -0.0050 1169 GLU 118 HB2 -0.0084 -0.0011 -0.0046 1170 GLU 118 HG3 -0.0089 -0.0018 -0.0054 1171 GLU 118 HG2 -0.0093 -0.0012 -0.0057 1172 ILE 119 N -0.0082 -0.0003 -0.0031 1173 ILE 119 CA -0.0080 0.0001 -0.0029 1174 ILE 119 C -0.0075 0.0010 -0.0034 1175 ILE 119 O -0.0075 0.0010 -0.0043 1176 ILE 119 CB -0.0083 -0.0005 -0.0032 1177 ILE 119 CG1 -0.0087 -0.0012 -0.0025 1178 ILE 119 CG2 -0.0081 0.0000 -0.0034 1179 ILE 119 CD1 -0.0086 -0.0010 -0.0015 1180 ILE 119 H -0.0083 -0.0004 -0.0038 1181 ILE 119 HA -0.0080 0.0002 -0.0021 1182 ILE 119 HB -0.0084 -0.0008 -0.0039 1183 ILE 119 HG13 -0.0090 -0.0017 -0.0028 1184 ILE 119 HG12 -0.0089 -0.0016 -0.0024 1185 ILE 119 HG21 -0.0083 -0.0005 -0.0036 1186 ILE 119 HG22 -0.0078 0.0004 -0.0040 1187 ILE 119 HG23 -0.0079 0.0004 -0.0028 1188 ILE 119 HD11 -0.0090 -0.0015 -0.0010 1189 ILE 119 HD12 -0.0085 -0.0007 -0.0015 1190 ILE 119 HD13 -0.0084 -0.0005 -0.0011 1191 LEU 120 N -0.0072 0.0017 -0.0029 1192 LEU 120 CA -0.0067 0.0025 -0.0033 1193 LEU 120 C -0.0067 0.0025 -0.0037 1194 LEU 120 O -0.0069 0.0022 -0.0033 1195 LEU 120 CB -0.0064 0.0033 -0.0025 1196 LEU 120 CG -0.0063 0.0034 -0.0022 1197 LEU 120 CD1 -0.0060 0.0041 -0.0013 1198 LEU 120 CD2 -0.0062 0.0036 -0.0031 1199 LEU 120 H -0.0073 0.0016 -0.0022 1200 LEU 120 HA -0.0067 0.0026 -0.0039 1201 LEU 120 HB3 -0.0060 0.0039 -0.0028 1202 LEU 120 HB2 -0.0065 0.0032 -0.0019 1203 LEU 120 HG -0.0067 0.0028 -0.0019 1204 LEU 120 HD11 -0.0062 0.0038 -0.0007 1205 LEU 120 HD12 -0.0059 0.0043 -0.0010 1206 LEU 120 HD13 -0.0057 0.0046 -0.0015 1207 LEU 120 HD21 -0.0059 0.0041 -0.0028 1208 LEU 120 HD22 -0.0060 0.0038 -0.0037 1209 LEU 120 HD23 -0.0065 0.0030 -0.0033 1210 VAL 121 N -0.0065 -0.0040 -0.0004 1211 VAL 121 CA -0.0063 -0.0032 -0.0010 1212 VAL 121 C -0.0058 -0.0028 -0.0012 1213 VAL 121 O -0.0060 -0.0033 -0.0009 1214 VAL 121 CB -0.0072 -0.0028 -0.0016 1215 VAL 121 CG1 -0.0077 -0.0031 -0.0015 1216 VAL 121 CG2 -0.0080 -0.0029 -0.0017 1217 VAL 121 H -0.0068 -0.0042 -0.0003 1218 VAL 121 HA -0.0057 -0.0030 -0.0010 1219 VAL 121 HB -0.0070 -0.0022 -0.0021 1220 VAL 121 HG11 -0.0083 -0.0028 -0.0019 1221 VAL 121 HG12 -0.0072 -0.0029 -0.0015 1222 VAL 121 HG13 -0.0079 -0.0037 -0.0011 1223 VAL 121 HG21 -0.0087 -0.0027 -0.0021 1224 VAL 121 HG22 -0.0082 -0.0036 -0.0013 1225 VAL 121 HG23 -0.0077 -0.0027 -0.0019 1226 LEU 122 N -0.0052 -0.0021 -0.0016 1227 LEU 122 CA -0.0048 -0.0017 -0.0018 1228 LEU 122 C -0.0056 -0.0012 -0.0025 1229 LEU 122 O -0.0059 -0.0008 -0.0029 1230 LEU 122 CB -0.0038 -0.0012 -0.0020 1231 LEU 122 CG -0.0030 -0.0016 -0.0014 1232 LEU 122 CD1 -0.0020 -0.0011 -0.0016 1233 LEU 122 CD2 -0.0028 -0.0022 -0.0008 1234 LEU 122 H -0.0051 -0.0018 -0.0018 1235 LEU 122 HA -0.0047 -0.0021 -0.0015 1236 LEU 122 HB3 -0.0036 -0.0008 -0.0022 1237 LEU 122 HB2 -0.0039 -0.0008 -0.0023 1238 LEU 122 HG -0.0032 -0.0020 -0.0012 1239 LEU 122 HD11 -0.0016 -0.0013 -0.0013 1240 LEU 122 HD12 -0.0022 -0.0005 -0.0021 1241 LEU 122 HD13 -0.0016 -0.0009 -0.0016 1242 LEU 122 HD21 -0.0021 -0.0025 -0.0004 1243 LEU 122 HD22 -0.0027 -0.0020 -0.0010 1244 LEU 122 HD23 -0.0034 -0.0027 -0.0006 1245 ARG 123 N -0.0058 -0.0029 -0.0002 1246 ARG 123 CA -0.0062 -0.0025 0.0001 1247 ARG 123 C -0.0054 -0.0035 -0.0001 1248 ARG 123 O -0.0048 -0.0046 0.0002 1249 ARG 123 CB -0.0072 -0.0025 0.0015 1250 ARG 123 CG -0.0077 -0.0021 0.0018 1251 ARG 123 CD -0.0088 -0.0016 0.0029 1252 ARG 123 NE -0.0095 -0.0006 0.0028 1253 ARG 123 CZ -0.0099 0.0006 0.0020 1254 ARG 123 NH1 -0.0097 0.0011 0.0012 1255 ARG 123 NH2 -0.0104 0.0014 0.0020 1256 ARG 123 H -0.0054 -0.0038 0.0003 1257 ARG 123 HA -0.0065 -0.0016 -0.0006 1258 ARG 123 HB3 -0.0070 -0.0034 0.0022 1259 ARG 123 HB2 -0.0077 -0.0019 0.0016 1260 ARG 123 HG3 -0.0076 -0.0014 0.0009 1261 ARG 123 HG2 -0.0073 -0.0029 0.0020 1262 ARG 123 HD3 -0.0091 -0.0012 0.0029 1263 ARG 123 HD2 -0.0089 -0.0023 0.0038 1264 ARG 123 HH22 -0.0107 0.0023 0.0014 1265 ARG 123 HH21 -0.0106 0.0011 0.0025 1266 ARG 123 HH12 -0.0100 0.0020 0.0006 1267 ARG 123 HH11 -0.0092 0.0006 0.0011 1268 ARG 123 HE -0.0096 -0.0009 0.0033 1269 ARG 124 N -0.0053 -0.0030 -0.0007 1270 ARG 124 CA -0.0046 -0.0038 -0.0009 1271 ARG 124 C -0.0047 -0.0047 0.0004 1272 ARG 124 O -0.0056 -0.0044 0.0013 1273 ARG 124 CB -0.0048 -0.0029 -0.0017 1274 ARG 124 CG -0.0046 -0.0020 -0.0030 1275 ARG 124 CD -0.0047 -0.0011 -0.0037 1276 ARG 124 NE -0.0048 -0.0000 -0.0048 1277 ARG 124 CZ -0.0041 -0.0000 -0.0059 1278 ARG 124 NH1 -0.0031 -0.0010 -0.0062 1279 ARG 124 NH2 -0.0043 0.0011 -0.0067 1280 ARG 124 H -0.0059 -0.0021 -0.0009 1281 ARG 124 HA -0.0038 -0.0043 -0.0015 1282 ARG 124 HB3 -0.0042 -0.0035 -0.0018 1283 ARG 124 HB2 -0.0055 -0.0024 -0.0010 1284 ARG 124 HG3 -0.0051 -0.0014 -0.0029 1285 ARG 124 HG2 -0.0038 -0.0025 -0.0035 1286 ARG 124 HD3 -0.0041 -0.0016 -0.0041 1287 ARG 124 HD2 -0.0054 -0.0008 -0.0030 1288 ARG 124 HH22 -0.0038 0.0012 -0.0076 1289 ARG 124 HH21 -0.0051 0.0018 -0.0064 1290 ARG 124 HH12 -0.0025 -0.0011 -0.0070 1291 ARG 124 HH11 -0.0029 -0.0019 -0.0056 1292 ARG 124 HE -0.0055 0.0008 -0.0046 1293 GLU 125 N -0.0010 -0.0051 0.0010 1294 GLU 125 CA -0.0005 -0.0058 0.0020 1295 GLU 125 C -0.0016 -0.0084 0.0018 1296 GLU 125 O -0.0030 -0.0087 0.0001 1297 GLU 125 CB -0.0005 -0.0041 0.0011 1298 GLU 125 CG -0.0003 -0.0049 0.0018 1299 GLU 125 CD -0.0000 -0.0029 0.0012 1300 GLU 125 OE1 0.0013 -0.0012 0.0020 1301 GLU 125 OE2 -0.0011 -0.0032 -0.0001 1302 GLU 125 H -0.0022 -0.0059 -0.0002 1303 GLU 125 HA 0.0007 -0.0057 0.0036 1304 GLU 125 HB3 -0.0017 -0.0038 -0.0006 1305 GLU 125 HB2 0.0004 -0.0023 0.0014 1306 GLU 125 HG3 0.0008 -0.0054 0.0034 1307 GLU 125 HG2 -0.0013 -0.0064 0.0012 1308 PRO 126 N -0.0011 -0.0102 0.0035 1309 PRO 126 CA 0.0005 -0.0101 0.0055 1310 PRO 126 C 0.0009 -0.0095 0.0057 1311 PRO 126 O -0.0002 -0.0095 0.0042 1312 PRO 126 CB 0.0005 -0.0126 0.0068 1313 PRO 126 CG -0.0012 -0.0142 0.0053 1314 PRO 126 CD -0.0021 -0.0127 0.0033 1315 PRO 126 HA 0.0014 -0.0088 0.0061 1316 PRO 126 HB3 0.0009 -0.0126 0.0074 1317 PRO 126 HB2 0.0013 -0.0132 0.0081 1318 PRO 126 HG3 -0.0015 -0.0159 0.0058 1319 PRO 126 HG2 -0.0015 -0.0146 0.0051 1320 PRO 126 HD2 -0.0033 -0.0132 0.0020 1321 PRO 126 HD3 -0.0023 -0.0128 0.0032 1322 PRO 127 N -0.0060 -0.0077 0.0074 1323 PRO 127 CA -0.0077 -0.0048 0.0055 1324 PRO 127 C -0.0064 -0.0050 0.0017 1325 PRO 127 O -0.0046 -0.0074 0.0013 1326 PRO 127 CB -0.0091 -0.0038 0.0082 1327 PRO 127 CG -0.0091 -0.0053 0.0120 1328 PRO 127 CD -0.0066 -0.0084 0.0113 1329 PRO 127 HA -0.0088 -0.0031 0.0051 1330 PRO 127 HB3 -0.0109 -0.0013 0.0079 1331 PRO 127 HB2 -0.0082 -0.0048 0.0077 1332 PRO 127 HG3 -0.0104 -0.0038 0.0129 1333 PRO 127 HG2 -0.0095 -0.0056 0.0142 1334 PRO 127 HD2 -0.0054 -0.0102 0.0115 1335 PRO 127 HD3 -0.0067 -0.0091 0.0133 1336 HIS 128 N -0.0074 -0.0026 -0.0011 1337 HIS 128 CA -0.0066 -0.0023 -0.0049 1338 HIS 128 C -0.0043 -0.0045 -0.0073 1339 HIS 128 O -0.0036 -0.0043 -0.0106 1340 HIS 128 CB -0.0065 -0.0024 -0.0051 1341 HIS 128 CG -0.0085 -0.0006 -0.0025 1342 HIS 128 ND1 -0.0108 0.0024 -0.0018 1343 HIS 128 CD2 -0.0086 -0.0013 -0.0002 1344 HIS 128 CE1 -0.0122 0.0032 0.0007 1345 HIS 128 NE2 -0.0109 0.0011 0.0018 1346 HIS 128 H -0.0090 -0.0007 -0.0004 1347 HIS 128 HA -0.0080 0.0001 -0.0062 1348 HIS 128 HB3 -0.0063 -0.0015 -0.0079 1349 HIS 128 HB2 -0.0049 -0.0048 -0.0045 1350 HIS 128 HD1 -0.0114 0.0036 -0.0029 1351 HIS 128 HD2 -0.0072 -0.0034 0.0001 1352 HIS 128 HE1 -0.0140 0.0054 0.0018 1353 SER 129 N -0.0012 -0.0093 -0.0062 1354 SER 129 CA -0.0002 -0.0091 -0.0057 1355 SER 129 C -0.0014 -0.0093 -0.0057 1356 SER 129 O -0.0029 -0.0093 -0.0047 1357 SER 129 CB 0.0007 -0.0088 -0.0036 1358 SER 129 OG 0.0017 -0.0086 -0.0031 1359 SER 129 H -0.0013 -0.0092 -0.0053 1360 SER 129 HA 0.0011 -0.0092 -0.0066 1361 SER 129 HB3 -0.0005 -0.0087 -0.0026 1362 SER 129 HB2 0.0016 -0.0087 -0.0036 1363 SER 129 HG 0.0023 -0.0084 -0.0019 1364 PRO 130 N -0.0009 -0.0094 -0.0068 1365 PRO 130 CA -0.0019 -0.0095 -0.0068 1366 PRO 130 C -0.0019 -0.0092 -0.0048 1367 PRO 130 O -0.0034 -0.0093 -0.0044 1368 PRO 130 CB -0.0008 -0.0096 -0.0083 1369 PRO 130 CG 0.0002 -0.0097 -0.0096 1370 PRO 130 CD 0.0007 -0.0094 -0.0083 1371 PRO 130 HA -0.0033 -0.0097 -0.0073 1372 PRO 130 HB3 -0.0017 -0.0098 -0.0091 1373 PRO 130 HB2 0.0003 -0.0094 -0.0076 1374 PRO 130 HG3 -0.0008 -0.0099 -0.0107 1375 PRO 130 HG2 0.0015 -0.0096 -0.0103 1376 PRO 130 HD2 0.0021 -0.0092 -0.0075 1377 PRO 130 HD3 0.0008 -0.0095 -0.0091 1378 ASN 131 N -0.0005 -0.0071 0.0010 1379 ASN 131 CA -0.0007 -0.0065 0.0019 1380 ASN 131 C -0.0006 -0.0059 0.0013 1381 ASN 131 O -0.0008 -0.0052 0.0019 1382 ASN 131 CB -0.0009 -0.0054 0.0028 1383 ASN 131 CG -0.0009 -0.0041 0.0020 1384 ASN 131 OD1 -0.0006 -0.0042 0.0008 1385 ASN 131 ND2 -0.0010 -0.0030 0.0027 1386 ASN 131 H -0.0004 -0.0065 0.0003 1387 ASN 131 HA -0.0008 -0.0072 0.0026 1388 ASN 131 HB3 -0.0010 -0.0058 0.0033 1389 ASN 131 HB2 -0.0011 -0.0051 0.0036 1390 ASN 131 HD22 -0.0010 -0.0022 0.0022 1391 ASN 131 HD21 -0.0012 -0.0029 0.0037 1392 SER 132 N -0.0004 -0.0062 -0.0000 1393 SER 132 CA -0.0003 -0.0058 -0.0007 1394 SER 132 C -0.0000 -0.0070 -0.0015 1395 SER 132 O 0.0001 -0.0076 -0.0023 1396 SER 132 CB -0.0002 -0.0045 -0.0015 1397 SER 132 OG 0.0000 -0.0046 -0.0026 1398 SER 132 H -0.0002 -0.0068 -0.0006 1399 SER 132 HA -0.0004 -0.0056 0.0000 1400 SER 132 HB3 -0.0004 -0.0037 -0.0008 1401 SER 132 HB2 -0.0002 -0.0041 -0.0018 1402 SER 132 HG 0.0002 -0.0050 -0.0033 1403 PHE 133 N -0.0017 -0.0024 -0.0013 1404 PHE 133 CA -0.0015 -0.0026 -0.0014 1405 PHE 133 C -0.0012 -0.0018 -0.0016 1406 PHE 133 O -0.0014 -0.0011 -0.0014 1407 PHE 133 CB -0.0020 -0.0030 -0.0010 1408 PHE 133 CG -0.0023 -0.0038 -0.0008 1409 PHE 133 CD1 -0.0028 -0.0038 -0.0004 1410 PHE 133 CD2 -0.0021 -0.0046 -0.0010 1411 PHE 133 CE1 -0.0031 -0.0045 -0.0003 1412 PHE 133 CE2 -0.0023 -0.0053 -0.0008 1413 PHE 133 CZ -0.0028 -0.0053 -0.0005 1414 PHE 133 H -0.0021 -0.0019 -0.0010 1415 PHE 133 HA -0.0010 -0.0030 -0.0018 1416 PHE 133 HB3 -0.0018 -0.0031 -0.0012 1417 PHE 133 HB2 -0.0024 -0.0026 -0.0007 1418 PHE 133 HD1 -0.0030 -0.0032 -0.0003 1419 PHE 133 HD2 -0.0017 -0.0046 -0.0013 1420 PHE 133 HE1 -0.0034 -0.0045 0.0000 1421 PHE 133 HE2 -0.0021 -0.0059 -0.0010 1422 PHE 133 HZ -0.0030 -0.0059 -0.0003 1423 ARG 134 N -0.0008 -0.0019 -0.0019 1424 ARG 134 CA -0.0008 -0.0013 -0.0020 1425 ARG 134 C -0.0010 -0.0018 -0.0018 1426 ARG 134 O -0.0009 -0.0025 -0.0018 1427 ARG 134 CB -0.0000 -0.0010 -0.0025 1428 ARG 134 CG 0.0001 -0.0004 -0.0026 1429 ARG 134 CD 0.0009 -0.0002 -0.0032 1430 ARG 134 NE 0.0012 0.0002 -0.0034 1431 ARG 134 CZ 0.0014 0.0010 -0.0036 1432 ARG 134 NH1 0.0013 0.0016 -0.0034 1433 ARG 134 NH2 0.0018 0.0012 -0.0038 1434 ARG 134 H -0.0007 -0.0025 -0.0020 1435 ARG 134 HA -0.0011 -0.0008 -0.0017 1436 ARG 134 HB3 0.0003 -0.0016 -0.0028 1437 ARG 134 HB2 0.0002 -0.0008 -0.0026 1438 ARG 134 HG3 -0.0001 0.0002 -0.0024 1439 ARG 134 HG2 -0.0002 -0.0004 -0.0024 1440 ARG 134 HD3 0.0009 0.0001 -0.0032 1441 ARG 134 HD2 0.0011 -0.0008 -0.0033 1442 ARG 134 HH22 0.0021 0.0017 -0.0041 1443 ARG 134 HH21 0.0018 0.0007 -0.0039 1444 ARG 134 HH12 0.0014 0.0022 -0.0036 1445 ARG 134 HH11 0.0009 0.0014 -0.0032 1446 ARG 134 HE 0.0013 -0.0002 -0.0035 1447 LEU 135 N -0.0024 0.0028 -0.0030 1448 LEU 135 CA -0.0032 0.0021 -0.0026 1449 LEU 135 C -0.0037 0.0018 -0.0031 1450 LEU 135 O -0.0034 0.0020 -0.0032 1451 LEU 135 CB -0.0032 0.0021 -0.0015 1452 LEU 135 CG -0.0030 0.0023 -0.0008 1453 LEU 135 CD1 -0.0028 0.0024 0.0003 1454 LEU 135 CD2 -0.0037 0.0018 -0.0008 1455 LEU 135 H -0.0019 0.0031 -0.0025 1456 LEU 135 HA -0.0035 0.0019 -0.0028 1457 LEU 135 HB3 -0.0038 0.0016 -0.0012 1458 LEU 135 HB2 -0.0028 0.0024 -0.0013 1459 LEU 135 HG -0.0024 0.0027 -0.0011 1460 LEU 135 HD11 -0.0025 0.0026 0.0008 1461 LEU 135 HD12 -0.0025 0.0026 0.0004 1462 LEU 135 HD13 -0.0034 0.0019 0.0007 1463 LEU 135 HD21 -0.0034 0.0020 -0.0009 1464 LEU 135 HD22 -0.0040 0.0015 -0.0001 1465 LEU 135 HD23 -0.0041 0.0014 -0.0015 1466 GLU 136 N -0.0045 0.0012 -0.0034 1467 GLU 136 CA -0.0051 0.0007 -0.0036 1468 GLU 136 C -0.0058 0.0001 -0.0030 1469 GLU 136 O -0.0060 -0.0000 -0.0028 1470 GLU 136 CB -0.0053 0.0006 -0.0048 1471 GLU 136 CG -0.0046 0.0011 -0.0055 1472 GLU 136 CD -0.0049 0.0010 -0.0066 1473 GLU 136 OE1 -0.0055 0.0005 -0.0069 1474 GLU 136 OE2 -0.0044 0.0014 -0.0071 1475 GLU 136 H -0.0047 0.0010 -0.0034 1476 GLU 136 HA -0.0048 0.0009 -0.0034 1477 GLU 136 HB3 -0.0058 0.0002 -0.0049 1478 GLU 136 HB2 -0.0056 0.0004 -0.0050 1479 GLU 136 HG3 -0.0042 0.0015 -0.0055 1480 GLU 136 HG2 -0.0042 0.0014 -0.0052 1481 LYS 137 N -0.0065 0.0018 -0.0059 1482 LYS 137 CA -0.0071 0.0013 -0.0055 1483 LYS 137 C -0.0062 -0.0003 -0.0062 1484 LYS 137 O -0.0048 -0.0000 -0.0073 1485 LYS 137 CB -0.0070 0.0031 -0.0055 1486 LYS 137 CG -0.0077 0.0027 -0.0049 1487 LYS 137 CD -0.0071 0.0039 -0.0054 1488 LYS 137 CE -0.0075 0.0060 -0.0050 1489 LYS 137 NZ -0.0069 0.0070 -0.0054 1490 LYS 137 H -0.0055 0.0024 -0.0067 1491 LYS 137 HA -0.0083 0.0009 -0.0046 1492 LYS 137 HB3 -0.0058 0.0035 -0.0064 1493 LYS 137 HB2 -0.0075 0.0043 -0.0050 1494 LYS 137 HG3 -0.0090 0.0029 -0.0040 1495 LYS 137 HG2 -0.0076 0.0013 -0.0051 1496 LYS 137 HD3 -0.0074 0.0033 -0.0052 1497 LYS 137 HD2 -0.0058 0.0039 -0.0063 1498 LYS 137 HE3 -0.0071 0.0067 -0.0052 1499 LYS 137 HE2 -0.0088 0.0061 -0.0040 1500 LYS 137 HZ1 -0.0058 0.0070 -0.0062 1501 LYS 137 HZ2 -0.0073 0.0062 -0.0051 1502 LYS 137 HZ3 -0.0073 0.0083 -0.0050 1503 ILE 138 N -0.0070 -0.0018 -0.0057 1504 ILE 138 CA -0.0064 -0.0034 -0.0063 1505 ILE 138 C -0.0072 -0.0036 -0.0056 1506 ILE 138 O -0.0084 -0.0028 -0.0047 1507 ILE 138 CB -0.0066 -0.0052 -0.0062 1508 ILE 138 CG1 -0.0082 -0.0057 -0.0050 1509 ILE 138 CG2 -0.0055 -0.0052 -0.0070 1510 ILE 138 CD1 -0.0084 -0.0078 -0.0049 1511 ILE 138 H -0.0081 -0.0018 -0.0049 1512 ILE 138 HA -0.0052 -0.0031 -0.0071 1513 ILE 138 HB -0.0062 -0.0064 -0.0065 1514 ILE 138 HG13 -0.0090 -0.0055 -0.0044 1515 ILE 138 HG12 -0.0086 -0.0048 -0.0047 1516 ILE 138 HG21 -0.0055 -0.0065 -0.0070 1517 ILE 138 HG22 -0.0043 -0.0049 -0.0078 1518 ILE 138 HG23 -0.0058 -0.0041 -0.0067 1519 ILE 138 HD11 -0.0096 -0.0081 -0.0040 1520 ILE 138 HD12 -0.0079 -0.0087 -0.0054 1521 ILE 138 HD13 -0.0080 -0.0080 -0.0053 1522 LEU 139 N -0.0092 -0.0029 -0.0069 1523 LEU 139 CA -0.0087 -0.0033 -0.0068 1524 LEU 139 C -0.0085 -0.0031 -0.0064 1525 LEU 139 O -0.0087 -0.0028 -0.0063 1526 LEU 139 CB -0.0088 -0.0037 -0.0071 1527 LEU 139 CG -0.0089 -0.0040 -0.0075 1528 LEU 139 CD1 -0.0091 -0.0043 -0.0079 1529 LEU 139 CD2 -0.0086 -0.0043 -0.0074 1530 LEU 139 H -0.0094 -0.0028 -0.0069 1531 LEU 139 HA -0.0085 -0.0034 -0.0067 1532 LEU 139 HB3 -0.0085 -0.0039 -0.0070 1533 LEU 139 HB2 -0.0090 -0.0035 -0.0072 1534 LEU 139 HG -0.0092 -0.0038 -0.0076 1535 LEU 139 HD11 -0.0092 -0.0045 -0.0082 1536 LEU 139 HD12 -0.0094 -0.0041 -0.0080 1537 LEU 139 HD13 -0.0088 -0.0045 -0.0078 1538 LEU 139 HD21 -0.0085 -0.0047 -0.0077 1539 LEU 139 HD22 -0.0082 -0.0043 -0.0072 1540 LEU 139 HD23 -0.0087 -0.0041 -0.0074 1541 VAL 140 N -0.0080 -0.0032 -0.0061 1542 VAL 140 CA -0.0077 -0.0031 -0.0057 1543 VAL 140 C -0.0073 -0.0035 -0.0057 1544 VAL 140 O -0.0071 -0.0038 -0.0058 1545 VAL 140 CB -0.0076 -0.0028 -0.0053 1546 VAL 140 CG1 -0.0072 -0.0026 -0.0049 1547 VAL 140 CG2 -0.0080 -0.0023 -0.0053 1548 VAL 140 H -0.0079 -0.0034 -0.0061 1549 VAL 140 HA -0.0079 -0.0029 -0.0057 1550 VAL 140 HB -0.0074 -0.0029 -0.0053 1551 VAL 140 HG11 -0.0071 -0.0024 -0.0046 1552 VAL 140 HG12 -0.0069 -0.0029 -0.0049 1553 VAL 140 HG13 -0.0073 -0.0025 -0.0049 1554 VAL 140 HG21 -0.0078 -0.0020 -0.0050 1555 VAL 140 HG22 -0.0081 -0.0021 -0.0053 1556 VAL 140 HG23 -0.0082 -0.0023 -0.0056 1557 SER 141 N -0.0032 -0.0017 -0.0064 1558 SER 141 CA -0.0031 -0.0025 -0.0061 1559 SER 141 C -0.0040 -0.0030 -0.0050 1560 SER 141 O -0.0041 -0.0037 -0.0046 1561 SER 141 CB -0.0022 -0.0036 -0.0067 1562 SER 141 OG -0.0014 -0.0032 -0.0077 1563 SER 141 H -0.0028 -0.0021 -0.0066 1564 SER 141 HA -0.0031 -0.0019 -0.0064 1565 SER 141 HB3 -0.0022 -0.0042 -0.0064 1566 SER 141 HB2 -0.0022 -0.0042 -0.0064 1567 SER 141 HG -0.0009 -0.0039 -0.0079 1568 VAL 142 N -0.0046 -0.0026 -0.0045 1569 VAL 142 CA -0.0056 -0.0029 -0.0034 1570 VAL 142 C -0.0055 -0.0042 -0.0030 1571 VAL 142 O -0.0060 -0.0049 -0.0022 1572 VAL 142 CB -0.0063 -0.0018 -0.0030 1573 VAL 142 CG1 -0.0073 -0.0020 -0.0019 1574 VAL 142 CG2 -0.0063 -0.0005 -0.0035 1575 VAL 142 H -0.0045 -0.0020 -0.0049 1576 VAL 142 HA -0.0058 -0.0031 -0.0031 1577 VAL 142 HB -0.0061 -0.0017 -0.0033 1578 VAL 142 HG11 -0.0078 -0.0012 -0.0017 1579 VAL 142 HG12 -0.0074 -0.0029 -0.0015 1580 VAL 142 HG13 -0.0076 -0.0021 -0.0016 1581 VAL 142 HG21 -0.0069 0.0003 -0.0032 1582 VAL 142 HG22 -0.0064 -0.0006 -0.0034 1583 VAL 142 HG23 -0.0057 -0.0002 -0.0043 1584 GLY 143 N -0.0048 -0.0030 -0.0022 1585 GLY 143 CA -0.0053 -0.0032 -0.0022 1586 GLY 143 C -0.0044 -0.0023 -0.0021 1587 GLY 143 O -0.0034 -0.0017 -0.0020 1588 GLY 143 H -0.0041 -0.0023 -0.0021 1589 GLY 143 HA3 -0.0063 -0.0029 -0.0022 1590 GLY 143 HA2 -0.0051 -0.0042 -0.0023 1591 CYS 144 N -0.0047 -0.0021 -0.0021 1592 CYS 144 CA -0.0040 -0.0013 -0.0020 1593 CYS 144 C -0.0049 -0.0003 -0.0019 1594 CYS 144 O -0.0061 -0.0005 -0.0020 1595 CYS 144 CB -0.0032 -0.0022 -0.0021 1596 CYS 144 SG -0.0020 -0.0033 -0.0022 1597 CYS 144 H -0.0056 -0.0025 -0.0021 1598 CYS 144 HA -0.0032 -0.0007 -0.0019 1599 CYS 144 HB3 -0.0027 -0.0015 -0.0020 1600 CYS 144 HB2 -0.0040 -0.0028 -0.0021 1601 THR 145 N -0.0055 0.0024 0.0016 1602 THR 145 CA -0.0057 0.0029 0.0014 1603 THR 145 C -0.0055 0.0034 0.0018 1604 THR 145 O -0.0052 0.0033 0.0022 1605 THR 145 CB -0.0058 0.0029 0.0014 1606 THR 145 OG1 -0.0060 0.0034 0.0011 1607 THR 145 CG2 -0.0054 0.0029 0.0018 1608 THR 145 H -0.0052 0.0024 0.0019 1609 THR 145 HA -0.0060 0.0030 0.0011 1610 THR 145 HB -0.0058 0.0026 0.0011 1611 THR 145 HG1 -0.0062 0.0032 0.0008 1612 THR 145 HG21 -0.0055 0.0029 0.0017 1613 THR 145 HG22 -0.0052 0.0026 0.0020 1614 THR 145 HG23 -0.0053 0.0033 0.0020 1615 CYS 146 N -0.0057 0.0038 0.0016 1616 CYS 146 CA -0.0056 0.0043 0.0019 1617 CYS 146 C -0.0055 0.0047 0.0021 1618 CYS 146 O -0.0058 0.0048 0.0018 1619 CYS 146 CB -0.0059 0.0047 0.0016 1620 CYS 146 SG -0.0058 0.0053 0.0020 1621 CYS 146 H -0.0060 0.0039 0.0013 1622 CYS 146 HA -0.0054 0.0042 0.0022 1623 CYS 146 HB3 -0.0061 0.0048 0.0014 1624 CYS 146 HB2 -0.0060 0.0044 0.0015 1625 VAL 147 N -0.0075 0.0110 0.0021 1626 VAL 147 CA -0.0070 0.0124 0.0020 1627 VAL 147 C -0.0056 0.0141 0.0029 1628 VAL 147 O -0.0046 0.0137 0.0039 1629 VAL 147 CB -0.0067 0.0114 0.0027 1630 VAL 147 CG1 -0.0081 0.0099 0.0019 1631 VAL 147 CG2 -0.0053 0.0103 0.0044 1632 VAL 147 H -0.0066 0.0104 0.0031 1633 VAL 147 HA -0.0080 0.0132 0.0009 1634 VAL 147 HB -0.0064 0.0125 0.0026 1635 VAL 147 HG11 -0.0078 0.0092 0.0024 1636 VAL 147 HG12 -0.0090 0.0107 0.0007 1637 VAL 147 HG13 -0.0085 0.0087 0.0019 1638 VAL 147 HG21 -0.0051 0.0095 0.0048 1639 VAL 147 HG22 -0.0055 0.0092 0.0046 1640 VAL 147 HG23 -0.0042 0.0114 0.0051 1641 THR 148 N -0.0054 0.0158 0.0024 1642 THR 148 CA -0.0040 0.0173 0.0033 1643 THR 148 C -0.0028 0.0165 0.0047 1644 THR 148 O -0.0032 0.0155 0.0046 1645 THR 148 CB -0.0043 0.0192 0.0023 1646 THR 148 OG1 -0.0049 0.0188 0.0019 1647 THR 148 CG2 -0.0055 0.0202 0.0009 1648 THR 148 H -0.0063 0.0161 0.0015 1649 THR 148 HA -0.0036 0.0177 0.0035 1650 THR 148 HB -0.0033 0.0204 0.0030 1651 THR 148 HG1 -0.0041 0.0187 0.0028 1652 THR 148 HG21 -0.0057 0.0216 0.0003 1653 THR 148 HG22 -0.0051 0.0207 0.0012 1654 THR 148 HG23 -0.0066 0.0192 0.0002 1655 PRO 149 N -0.0038 0.0268 0.0051 1656 PRO 149 CA -0.0018 0.0279 0.0029 1657 PRO 149 C -0.0014 0.0313 0.0012 1658 PRO 149 O -0.0021 0.0324 0.0014 1659 PRO 149 CB 0.0008 0.0251 0.0018 1660 PRO 149 CG 0.0004 0.0237 0.0027 1661 PRO 149 CD -0.0026 0.0239 0.0051 1662 PRO 149 HA -0.0024 0.0279 0.0034 1663 PRO 149 HB3 0.0009 0.0232 0.0025 1664 PRO 149 HB2 0.0026 0.0260 -0.0001 1665 PRO 149 HG3 0.0017 0.0212 0.0026 1666 PRO 149 HG2 0.0010 0.0253 0.0016 1667 PRO 149 HD2 -0.0033 0.0241 0.0057 1668 PRO 149 HD3 -0.0030 0.0217 0.0064 1669 ILE 150 N -0.0002 0.0328 -0.0004 1670 ILE 150 CA 0.0009 0.0357 -0.0024 1671 ILE 150 C 0.0039 0.0342 -0.0044 1672 ILE 150 O 0.0055 0.0326 -0.0051 1673 ILE 150 CB 0.0008 0.0381 -0.0033 1674 ILE 150 CG1 -0.0022 0.0397 -0.0014 1675 ILE 150 CG2 0.0024 0.0408 -0.0057 1676 ILE 150 CD1 -0.0039 0.0418 -0.0008 1677 ILE 150 H 0.0006 0.0316 -0.0006 1678 ILE 150 HA -0.0002 0.0370 -0.0020 1679 ILE 150 HB 0.0017 0.0366 -0.0035 1680 ILE 150 HG13 -0.0022 0.0412 -0.0020 1681 ILE 150 HG12 -0.0032 0.0378 0.0002 1682 ILE 150 HG21 0.0021 0.0425 -0.0061 1683 ILE 150 HG22 0.0046 0.0397 -0.0071 1684 ILE 150 HG23 0.0018 0.0421 -0.0058 1685 ILE 150 HD11 -0.0057 0.0434 0.0000 1686 ILE 150 HD12 -0.0028 0.0434 -0.0024 1687 ILE 150 HD13 -0.0046 0.0403 0.0004 1688 VAL 151 N 0.0029 0.0592 -0.0086 1689 VAL 151 CA -0.0022 0.0538 -0.0129 1690 VAL 151 C -0.0075 0.0490 -0.0173 1691 VAL 151 O -0.0049 0.0457 -0.0158 1692 VAL 151 CB 0.0025 0.0462 -0.0104 1693 VAL 151 CG1 -0.0024 0.0398 -0.0147 1694 VAL 151 CG2 0.0083 0.0507 -0.0056 1695 VAL 151 H 0.0068 0.0554 -0.0062 1696 VAL 151 HA -0.0057 0.0583 -0.0148 1697 VAL 151 HB 0.0059 0.0416 -0.0085 1698 VAL 151 HG11 0.0012 0.0351 -0.0127 1699 VAL 151 HG12 -0.0058 0.0354 -0.0176 1700 VAL 151 HG13 -0.0063 0.0439 -0.0170 1701 VAL 151 HG21 0.0116 0.0455 -0.0040 1702 VAL 151 HG22 0.0055 0.0558 -0.0071 1703 VAL 151 HG23 0.0126 0.0544 -0.0022 1704 HIS 152 N -0.0148 0.0486 -0.0225 1705 HIS 152 CA -0.0206 0.0440 -0.0272 1706 HIS 152 C -0.0224 0.0353 -0.0296 1707 HIS 152 O -0.0261 0.0362 -0.0322 1708 HIS 152 CB -0.0278 0.0507 -0.0316 1709 HIS 152 CG -0.0266 0.0595 -0.0297 1710 HIS 152 ND1 -0.0230 0.0671 -0.0261 1711 HIS 152 CD2 -0.0286 0.0620 -0.0308 1712 HIS 152 CE1 -0.0229 0.0735 -0.0253 1713 HIS 152 NE2 -0.0263 0.0709 -0.0281 1714 HIS 152 H -0.0165 0.0507 -0.0235 1715 HIS 152 HA -0.0185 0.0417 -0.0260 1716 HIS 152 HB3 -0.0323 0.0471 -0.0352 1717 HIS 152 HB2 -0.0302 0.0529 -0.0331 1718 HIS 152 HD1 -0.0207 0.0677 -0.0244 1719 HIS 152 HD2 -0.0316 0.0580 -0.0334 1720 HIS 152 HE1 -0.0204 0.0802 -0.0227 1721 HIS 153 N -0.0311 0.0382 -0.0258 1722 HIS 153 CA -0.0436 0.0227 -0.0226 1723 HIS 153 C -0.0533 0.0181 -0.0276 1724 HIS 153 O -0.0608 0.0051 -0.0218 1725 HIS 153 CB -0.0374 0.0123 -0.0055 1726 HIS 153 CG -0.0265 0.0172 0.0005 1727 HIS 153 ND1 -0.0111 0.0276 0.0052 1728 HIS 153 CD2 -0.0292 0.0128 0.0021 1729 HIS 153 CE1 -0.0051 0.0290 0.0097 1730 HIS 153 NE2 -0.0154 0.0205 0.0081 1731 HIS 153 H -0.0208 0.0393 -0.0166 1732 HIS 153 HA -0.0506 0.0222 -0.0291 1733 HIS 153 HXT -0.0532 0.0272 -0.0369 1734 HIS 153 HB3 -0.0466 0.0011 -0.0033 1735 HIS 153 HB2 -0.0317 0.0112 0.0013 1736 HIS 153 HD2 -0.0395 0.0051 -0.0003 1737 HIS 153 HE1 0.0067 0.0364 0.0141 1738 HIS 153 HE2 -0.0133 0.0198 0.0110 1739 PHE 41 N -0.0049 -0.0265 0.0454 1740 PHE 41 CA -0.0046 -0.0274 0.0396 1741 PHE 41 C -0.0068 -0.0200 0.0429 1742 PHE 41 O -0.0075 -0.0174 0.0516 1743 PHE 41 CB -0.0017 -0.0376 0.0402 1744 PHE 41 CG 0.0005 -0.0451 0.0346 1745 PHE 41 CD1 0.0004 -0.0448 0.0242 1746 PHE 41 CD2 0.0025 -0.0522 0.0397 1747 PHE 41 CE1 0.0024 -0.0515 0.0191 1748 PHE 41 CE2 0.0045 -0.0590 0.0345 1749 PHE 41 CZ 0.0044 -0.0586 0.0242 1750 PHE 41 H1 -0.0033 -0.0321 0.0444 1751 PHE 41 H2 -0.0066 -0.0206 0.0439 1752 PHE 41 HA -0.0050 -0.0261 0.0319 1753 PHE 41 HB3 -0.0016 -0.0377 0.0372 1754 PHE 41 HB2 -0.0011 -0.0397 0.0479 1755 PHE 41 HD1 -0.0011 -0.0393 0.0201 1756 PHE 41 HD2 0.0026 -0.0526 0.0476 1757 PHE 41 HE1 0.0023 -0.0513 0.0111 1758 PHE 41 HE2 0.0060 -0.0645 0.0384 1759 PHE 41 HZ 0.0059 -0.0639 0.0202 1760 PRO 42 N -0.0077 -0.0167 0.0358 1761 PRO 42 CA -0.0096 -0.0100 0.0380 1762 PRO 42 C -0.0083 -0.0147 0.0440 1763 PRO 42 O -0.0061 -0.0222 0.0412 1764 PRO 42 CB -0.0105 -0.0068 0.0278 1765 PRO 42 CG -0.0080 -0.0152 0.0211 1766 PRO 42 CD -0.0069 -0.0191 0.0253 1767 PRO 42 HA -0.0114 -0.0039 0.0421 1768 PRO 42 HB3 -0.0122 -0.0007 0.0254 1769 PRO 42 HB2 -0.0111 -0.0047 0.0275 1770 PRO 42 HG3 -0.0085 -0.0134 0.0133 1771 PRO 42 HG2 -0.0065 -0.0205 0.0220 1772 PRO 42 HD2 -0.0047 -0.0267 0.0239 1773 PRO 42 HD3 -0.0079 -0.0157 0.0218 1774 ARG 43 N -0.0055 -0.0186 0.0206 1775 ARG 43 CA -0.0067 -0.0167 0.0181 1776 ARG 43 C -0.0058 -0.0139 0.0148 1777 ARG 43 O -0.0047 -0.0120 0.0127 1778 ARG 43 CB -0.0112 -0.0173 0.0181 1779 ARG 43 CG -0.0131 -0.0153 0.0153 1780 ARG 43 CD -0.0177 -0.0160 0.0153 1781 ARG 43 NE -0.0197 -0.0139 0.0125 1782 ARG 43 CZ -0.0210 -0.0118 0.0096 1783 ARG 43 NH1 -0.0202 -0.0111 0.0089 1784 ARG 43 NH2 -0.0232 -0.0103 0.0075 1785 ARG 43 H -0.0078 -0.0200 0.0219 1786 ARG 43 HA -0.0048 -0.0168 0.0185 1787 ARG 43 HB3 -0.0129 -0.0175 0.0180 1788 ARG 43 HB2 -0.0118 -0.0193 0.0203 1789 ARG 43 HG3 -0.0117 -0.0155 0.0157 1790 ARG 43 HG2 -0.0123 -0.0133 0.0130 1791 ARG 43 HD3 -0.0192 -0.0166 0.0158 1792 ARG 43 HD2 -0.0183 -0.0177 0.0173 1793 ARG 43 HH22 -0.0241 -0.0087 0.0053 1794 ARG 43 HH21 -0.0240 -0.0108 0.0079 1795 ARG 43 HH12 -0.0213 -0.0096 0.0069 1796 ARG 43 HH11 -0.0181 -0.0119 0.0103 1797 ARG 43 HE -0.0202 -0.0144 0.0129 1798 THR 44 N -0.0066 -0.0135 0.0142 1799 THR 44 CA -0.0064 -0.0110 0.0112 1800 THR 44 C -0.0040 -0.0111 0.0117 1801 THR 44 O -0.0047 -0.0130 0.0139 1802 THR 44 CB -0.0108 -0.0104 0.0096 1803 THR 44 OG1 -0.0129 -0.0104 0.0093 1804 THR 44 CG2 -0.0110 -0.0077 0.0063 1805 THR 44 H -0.0071 -0.0151 0.0161 1806 THR 44 HA -0.0048 -0.0095 0.0096 1807 THR 44 HB -0.0124 -0.0119 0.0112 1808 THR 44 HG1 -0.0110 -0.0095 0.0086 1809 THR 44 HG21 -0.0141 -0.0073 0.0053 1810 THR 44 HG22 -0.0097 -0.0076 0.0065 1811 THR 44 HG23 -0.0093 -0.0061 0.0047 1812 VAL 45 N -0.0021 -0.0055 0.0041 1813 VAL 45 CA -0.0008 -0.0054 0.0036 1814 VAL 45 C -0.0006 -0.0040 0.0030 1815 VAL 45 O -0.0012 -0.0033 0.0029 1816 VAL 45 CB 0.0002 -0.0062 0.0036 1817 VAL 45 CG1 -0.0000 -0.0076 0.0042 1818 VAL 45 CG2 0.0003 -0.0058 0.0034 1819 VAL 45 H -0.0023 -0.0051 0.0040 1820 VAL 45 HA -0.0007 -0.0057 0.0037 1821 VAL 45 HB 0.0011 -0.0062 0.0032 1822 VAL 45 HG11 0.0008 -0.0082 0.0042 1823 VAL 45 HG12 -0.0001 -0.0080 0.0044 1824 VAL 45 HG13 -0.0009 -0.0078 0.0046 1825 VAL 45 HG21 0.0010 -0.0064 0.0034 1826 VAL 45 HG22 -0.0006 -0.0058 0.0037 1827 VAL 45 HG23 0.0006 -0.0048 0.0029 1828 MET 46 N 0.0004 -0.0037 0.0025 1829 MET 46 CA 0.0007 -0.0025 0.0018 1830 MET 46 C 0.0019 -0.0024 0.0014 1831 MET 46 O 0.0028 -0.0033 0.0014 1832 MET 46 CB 0.0011 -0.0022 0.0016 1833 MET 46 CG -0.0000 -0.0020 0.0019 1834 MET 46 SD 0.0004 -0.0015 0.0016 1835 MET 46 CE 0.0011 -0.0030 0.0019 1836 MET 46 H 0.0009 -0.0044 0.0026 1837 MET 46 HA -0.0000 -0.0018 0.0018 1838 MET 46 HB3 0.0016 -0.0013 0.0011 1839 MET 46 HB2 0.0018 -0.0029 0.0016 1840 MET 46 HG3 -0.0005 -0.0028 0.0024 1841 MET 46 HG2 -0.0007 -0.0012 0.0019 1842 MET 46 HE1 0.0014 -0.0029 0.0018 1843 MET 46 HE2 0.0005 -0.0037 0.0025 1844 MET 46 HE3 0.0020 -0.0034 0.0017 1845 VAL 47 N 0.0011 0.0001 0.0000 1846 VAL 47 CA 0.0009 -0.0002 -0.0001 1847 VAL 47 C 0.0011 0.0001 -0.0001 1848 VAL 47 O 0.0012 0.0005 0.0004 1849 VAL 47 CB 0.0006 -0.0006 0.0003 1850 VAL 47 CG1 0.0004 -0.0010 0.0002 1851 VAL 47 CG2 0.0004 -0.0010 0.0003 1852 VAL 47 H 0.0011 0.0004 0.0004 1853 VAL 47 HA 0.0009 -0.0004 -0.0006 1854 VAL 47 HB 0.0006 -0.0004 0.0008 1855 VAL 47 HG11 0.0001 -0.0013 0.0005 1856 VAL 47 HG12 0.0005 -0.0008 0.0003 1857 VAL 47 HG13 0.0004 -0.0012 -0.0002 1858 VAL 47 HG21 0.0001 -0.0014 0.0006 1859 VAL 47 HG22 0.0004 -0.0012 -0.0001 1860 VAL 47 HG23 0.0005 -0.0008 0.0005 1861 ASN 48 N 0.0012 0.0001 -0.0006 1862 ASN 48 CA 0.0014 0.0003 -0.0007 1863 ASN 48 C 0.0011 -0.0001 -0.0004 1864 ASN 48 O 0.0009 -0.0006 -0.0006 1865 ASN 48 CB 0.0016 0.0004 -0.0013 1866 ASN 48 CG 0.0017 0.0006 -0.0015 1867 ASN 48 OD1 0.0017 0.0007 -0.0011 1868 ASN 48 ND2 0.0019 0.0006 -0.0021 1869 ASN 48 H 0.0012 -0.0002 -0.0010 1870 ASN 48 HA 0.0015 0.0007 -0.0004 1871 ASN 48 HB3 0.0014 -0.0000 -0.0016 1872 ASN 48 HB2 0.0018 0.0006 -0.0015 1873 ASN 48 HD22 0.0020 0.0007 -0.0023 1874 ASN 48 HD21 0.0019 0.0005 -0.0024 1875 LEU 49 N 0.0026 0.0025 0.0005 1876 LEU 49 CA 0.0016 0.0021 0.0016 1877 LEU 49 C 0.0011 0.0019 0.0019 1878 LEU 49 O 0.0002 0.0015 0.0027 1879 LEU 49 CB 0.0020 0.0023 0.0030 1880 LEU 49 CG 0.0022 0.0024 0.0030 1881 LEU 49 CD1 0.0026 0.0026 0.0044 1882 LEU 49 CD2 0.0009 0.0018 0.0025 1883 LEU 49 H 0.0035 0.0030 0.0009 1884 LEU 49 HA 0.0007 0.0017 0.0012 1885 LEU 49 HB3 0.0013 0.0020 0.0038 1886 LEU 49 HB2 0.0029 0.0028 0.0033 1887 LEU 49 HG 0.0029 0.0027 0.0022 1888 LEU 49 HD11 0.0024 0.0026 0.0046 1889 LEU 49 HD12 0.0036 0.0031 0.0046 1890 LEU 49 HD13 0.0020 0.0024 0.0053 1891 LEU 49 HD21 0.0009 0.0018 0.0029 1892 LEU 49 HD22 0.0001 0.0014 0.0030 1893 LEU 49 HD23 0.0008 0.0017 0.0014 1894 ASN 50 N 0.0018 0.0022 0.0013 1895 ASN 50 CA 0.0014 0.0020 0.0015 1896 ASN 50 C 0.0003 0.0014 0.0005 1897 ASN 50 O 0.0004 0.0015 -0.0007 1898 ASN 50 CB 0.0026 0.0025 0.0011 1899 ASN 50 CG 0.0035 0.0030 0.0023 1900 ASN 50 OD1 0.0032 0.0029 0.0035 1901 ASN 50 ND2 0.0047 0.0036 0.0020 1902 ASN 50 H 0.0025 0.0025 0.0006 1903 ASN 50 HA 0.0011 0.0019 0.0026 1904 ASN 50 HB3 0.0022 0.0024 0.0010 1905 ASN 50 HB2 0.0030 0.0027 0.0002 1906 ASN 50 HD22 0.0053 0.0039 0.0028 1907 ASN 50 HD21 0.0050 0.0037 0.0011 1908 ILE 51 N -0.0001 0.0059 -0.0032 1909 ILE 51 CA -0.0012 0.0051 -0.0038 1910 ILE 51 C -0.0004 0.0050 -0.0043 1911 ILE 51 O 0.0003 0.0058 -0.0035 1912 ILE 51 CB -0.0028 0.0052 -0.0028 1913 ILE 51 CG1 -0.0037 0.0053 -0.0023 1914 ILE 51 CG2 -0.0039 0.0045 -0.0034 1915 ILE 51 CD1 -0.0048 0.0058 -0.0009 1916 ILE 51 H -0.0006 0.0063 -0.0023 1917 ILE 51 HA -0.0014 0.0044 -0.0047 1918 ILE 51 HB -0.0025 0.0059 -0.0019 1919 ILE 51 HG13 -0.0029 0.0056 -0.0022 1920 ILE 51 HG12 -0.0043 0.0045 -0.0031 1921 ILE 51 HG21 -0.0051 0.0045 -0.0027 1922 ILE 51 HG22 -0.0035 0.0045 -0.0035 1923 ILE 51 HG23 -0.0042 0.0037 -0.0044 1924 ILE 51 HD11 -0.0057 0.0056 -0.0008 1925 ILE 51 HD12 -0.0042 0.0066 -0.0001 1926 ILE 51 HD13 -0.0054 0.0057 -0.0008 1927 HIS 52 N -0.0007 0.0041 -0.0055 1928 HIS 52 CA -0.0004 0.0039 -0.0059 1929 HIS 52 C -0.0020 0.0034 -0.0059 1930 HIS 52 O -0.0031 0.0028 -0.0063 1931 HIS 52 CB 0.0006 0.0033 -0.0074 1932 HIS 52 CG 0.0024 0.0038 -0.0074 1933 HIS 52 ND1 0.0030 0.0048 -0.0062 1934 HIS 52 CD2 0.0037 0.0035 -0.0085 1935 HIS 52 CE1 0.0046 0.0051 -0.0066 1936 HIS 52 NE2 0.0051 0.0043 -0.0079 1937 HIS 52 H -0.0013 0.0035 -0.0061 1938 HIS 52 HA 0.0002 0.0046 -0.0052 1939 HIS 52 HB3 0.0005 0.0029 -0.0079 1940 HIS 52 HB2 0.0002 0.0027 -0.0081 1941 HIS 52 HD1 0.0024 0.0052 -0.0053 1942 HIS 52 HD2 0.0037 0.0028 -0.0095 1943 HIS 52 HE1 0.0054 0.0058 -0.0059 1944 ASN 53 N 0.0000 0.0090 -0.0132 1945 ASN 53 CA 0.0007 0.0061 -0.0130 1946 ASN 53 C 0.0020 0.0036 -0.0144 1947 ASN 53 O 0.0033 0.0043 -0.0168 1948 ASN 53 CB 0.0013 0.0068 -0.0144 1949 ASN 53 CG -0.0001 0.0083 -0.0126 1950 ASN 53 OD1 -0.0002 0.0072 -0.0121 1951 ASN 53 ND2 -0.0014 0.0110 -0.0116 1952 ASN 53 H 0.0008 0.0105 -0.0150 1953 ASN 53 HA -0.0005 0.0053 -0.0108 1954 ASN 53 HB3 0.0021 0.0045 -0.0149 1955 ASN 53 HB2 0.0022 0.0082 -0.0165 1956 ASN 53 HD22 -0.0023 0.0122 -0.0104 1957 ASN 53 HD21 -0.0014 0.0120 -0.0120 1958 ARG 54 N 0.0017 0.0009 -0.0127 1959 ARG 54 CA 0.0027 -0.0016 -0.0134 1960 ARG 54 C 0.0036 -0.0045 -0.0138 1961 ARG 54 O 0.0029 -0.0066 -0.0118 1962 ARG 54 CB 0.0014 -0.0022 -0.0111 1963 ARG 54 CG 0.0023 -0.0050 -0.0114 1964 ARG 54 CD 0.0037 -0.0045 -0.0140 1965 ARG 54 NE 0.0030 -0.0018 -0.0138 1966 ARG 54 CZ 0.0038 -0.0004 -0.0159 1967 ARG 54 NH1 0.0056 -0.0013 -0.0185 1968 ARG 54 NH2 0.0030 0.0019 -0.0153 1969 ARG 54 H 0.0006 0.0004 -0.0108 1970 ARG 54 HA 0.0037 -0.0009 -0.0155 1971 ARG 54 HB3 0.0004 -0.0027 -0.0090 1972 ARG 54 HB2 0.0009 -0.0000 -0.0110 1973 ARG 54 HG3 0.0027 -0.0073 -0.0113 1974 ARG 54 HG2 0.0012 -0.0052 -0.0095 1975 ARG 54 HD3 0.0047 -0.0039 -0.0159 1976 ARG 54 HD2 0.0044 -0.0067 -0.0143 1977 ARG 54 HH22 0.0035 0.0031 -0.0167 1978 ARG 54 HH21 0.0016 0.0028 -0.0133 1979 ARG 54 HH12 0.0063 -0.0003 -0.0201 1980 ARG 54 HH11 0.0063 -0.0031 -0.0189 1981 ARG 54 HE 0.0016 -0.0011 -0.0118 1982 ASN 55 N 0.0265 -0.0005 -0.0258 1983 ASN 55 CA 0.0291 -0.0049 -0.0275 1984 ASN 55 C 0.0179 0.0014 -0.0220 1985 ASN 55 O 0.0162 -0.0027 -0.0218 1986 ASN 55 CB 0.0304 -0.0221 -0.0302 1987 ASN 55 CG 0.0405 -0.0299 -0.0355 1988 ASN 55 OD1 0.0475 -0.0229 -0.0375 1989 ASN 55 ND2 0.0415 -0.0446 -0.0378 1990 ASN 55 H 0.0341 0.0060 -0.0282 1991 ASN 55 HA 0.0391 0.0007 -0.0309 1992 ASN 55 HXT 0.0115 0.0098 -0.0182 1993 ASN 55 HB3 0.0336 -0.0242 -0.0319 1994 ASN 55 HB2 0.0201 -0.0279 -0.0267 1995 ASN 55 HD22 0.0483 -0.0499 -0.0413 1996 ASN 55 HD21 0.0359 -0.0505 -0.0362 1997 SER 64 N -0.0215 0.0004 -0.0041 1998 SER 64 CA -0.0195 0.0012 -0.0043 1999 SER 64 C -0.0184 0.0018 -0.0064 2000 SER 64 O -0.0192 0.0014 -0.0078 2001 SER 64 CB -0.0182 0.0018 -0.0023 2002 SER 64 OG -0.0179 0.0019 -0.0022 2003 SER 64 H1 -0.0225 -0.0001 -0.0034 2004 SER 64 H2 -0.0220 0.0002 -0.0057 2005 SER 64 HA -0.0196 0.0012 -0.0044 2006 SER 64 HB3 -0.0189 0.0014 -0.0008 2007 SER 64 HB2 -0.0167 0.0024 -0.0023 2008 SER 64 HG -0.0193 0.0013 -0.0023 2009 ASP 65 N -0.0166 0.0026 -0.0067 2010 ASP 65 CA -0.0152 0.0032 -0.0084 2011 ASP 65 C -0.0137 0.0038 -0.0076 2012 ASP 65 O -0.0124 0.0045 -0.0088 2013 ASP 65 CB -0.0140 0.0038 -0.0091 2014 ASP 65 CG -0.0130 0.0042 -0.0074 2015 ASP 65 OD1 -0.0133 0.0040 -0.0054 2016 ASP 65 OD2 -0.0119 0.0046 -0.0081 2017 ASP 65 H -0.0160 0.0028 -0.0056 2018 ASP 65 HA -0.0160 0.0029 -0.0098 2019 ASP 65 HB3 -0.0150 0.0034 -0.0101 2020 ASP 65 HB2 -0.0128 0.0043 -0.0102 2021 TYR 66 N -0.0099 -0.0003 -0.0010 2022 TYR 66 CA -0.0088 0.0007 -0.0007 2023 TYR 66 C -0.0075 0.0005 -0.0013 2024 TYR 66 O -0.0065 0.0010 -0.0013 2025 TYR 66 CB -0.0092 0.0017 0.0002 2026 TYR 66 CG -0.0103 0.0023 0.0009 2027 TYR 66 CD1 -0.0108 0.0021 0.0010 2028 TYR 66 CD2 -0.0109 0.0030 0.0016 2029 TYR 66 CE1 -0.0118 0.0027 0.0018 2030 TYR 66 CE2 -0.0119 0.0036 0.0024 2031 TYR 66 CZ -0.0123 0.0034 0.0024 2032 TYR 66 OH -0.0132 0.0040 0.0032 2033 TYR 66 H -0.0108 -0.0002 -0.0006 2034 TYR 66 HA -0.0086 0.0010 -0.0006 2035 TYR 66 HB3 -0.0084 0.0024 0.0003 2036 TYR 66 HB2 -0.0095 0.0014 0.0000 2037 TYR 66 HD1 -0.0104 0.0016 0.0005 2038 TYR 66 HD2 -0.0106 0.0031 0.0016 2039 TYR 66 HE1 -0.0121 0.0026 0.0018 2040 TYR 66 HE2 -0.0123 0.0041 0.0029 2041 TYR 66 HH -0.0134 0.0039 0.0032 2042 TYR 67 N -0.0076 -0.0003 -0.0018 2043 TYR 67 CA -0.0065 -0.0007 -0.0025 2044 TYR 67 C -0.0056 -0.0012 -0.0032 2045 TYR 67 O -0.0045 -0.0012 -0.0036 2046 TYR 67 CB -0.0069 -0.0015 -0.0029 2047 TYR 67 CG -0.0076 -0.0027 -0.0035 2048 TYR 67 CD1 -0.0090 -0.0029 -0.0031 2049 TYR 67 CD2 -0.0069 -0.0036 -0.0043 2050 TYR 67 CE1 -0.0096 -0.0041 -0.0037 2051 TYR 67 CE2 -0.0075 -0.0047 -0.0049 2052 TYR 67 CZ -0.0088 -0.0049 -0.0046 2053 TYR 67 OH -0.0094 -0.0060 -0.0051 2054 TYR 67 H -0.0085 -0.0007 -0.0018 2055 TYR 67 HA -0.0058 0.0001 -0.0022 2056 TYR 67 HB3 -0.0075 -0.0011 -0.0024 2057 TYR 67 HB2 -0.0061 -0.0015 -0.0032 2058 TYR 67 HD1 -0.0095 -0.0023 -0.0025 2059 TYR 67 HD2 -0.0058 -0.0034 -0.0046 2060 TYR 67 HE1 -0.0106 -0.0042 -0.0034 2061 TYR 67 HE2 -0.0069 -0.0054 -0.0056 2062 TYR 67 HH -0.0104 -0.0061 -0.0049 2063 ASN 68 N -0.0044 0.0045 -0.0056 2064 ASN 68 CA -0.0032 0.0033 -0.0066 2065 ASN 68 C -0.0027 0.0049 -0.0058 2066 ASN 68 O -0.0008 0.0047 -0.0063 2067 ASN 68 CB -0.0049 0.0011 -0.0074 2068 ASN 68 CG -0.0048 -0.0008 -0.0085 2069 ASN 68 OD1 -0.0028 -0.0011 -0.0092 2070 ASN 68 ND2 -0.0069 -0.0022 -0.0088 2071 ASN 68 H -0.0062 0.0047 -0.0050 2072 ASN 68 HA -0.0013 0.0029 -0.0073 2073 ASN 68 HB3 -0.0042 0.0004 -0.0080 2074 ASN 68 HB2 -0.0068 0.0014 -0.0067 2075 ASN 68 HD22 -0.0070 -0.0034 -0.0095 2076 ASN 68 HD21 -0.0086 -0.0020 -0.0083 2077 ARG 69 N -0.0045 0.0062 -0.0046 2078 ARG 69 CA -0.0045 0.0076 -0.0038 2079 ARG 69 C -0.0027 0.0098 -0.0029 2080 ARG 69 O -0.0022 0.0110 -0.0024 2081 ARG 69 CB -0.0072 0.0082 -0.0028 2082 ARG 69 CG -0.0091 0.0062 -0.0034 2083 ARG 69 CD -0.0119 0.0067 -0.0024 2084 ARG 69 NE -0.0124 0.0088 -0.0011 2085 ARG 69 CZ -0.0145 0.0100 0.0001 2086 ARG 69 NH1 -0.0146 0.0119 0.0012 2087 ARG 69 NH2 -0.0163 0.0092 0.0001 2088 ARG 69 H -0.0061 0.0062 -0.0042 2089 ARG 69 HA -0.0038 0.0066 -0.0045 2090 ARG 69 HB3 -0.0071 0.0094 -0.0021 2091 ARG 69 HB2 -0.0079 0.0091 -0.0021 2092 ARG 69 HG3 -0.0089 0.0048 -0.0043 2093 ARG 69 HG2 -0.0087 0.0055 -0.0039 2094 ARG 69 HD3 -0.0124 0.0067 -0.0023 2095 ARG 69 HD2 -0.0132 0.0053 -0.0029 2096 ARG 69 HH22 -0.0179 0.0100 0.0010 2097 ARG 69 HH21 -0.0163 0.0077 -0.0007 2098 ARG 69 HH12 -0.0160 0.0128 0.0021 2099 ARG 69 HH11 -0.0131 0.0124 0.0011 2100 ARG 69 HE -0.0111 0.0094 -0.0011 2101 SER 70 N -0.0052 0.0031 0.0030 2102 SER 70 CA -0.0043 0.0039 0.0041 2103 SER 70 C -0.0029 0.0032 0.0042 2104 SER 70 O -0.0024 0.0023 0.0037 2105 SER 70 CB -0.0045 0.0047 0.0047 2106 SER 70 OG -0.0036 0.0055 0.0057 2107 SER 70 H -0.0057 0.0032 0.0029 2108 SER 70 HA -0.0047 0.0043 0.0043 2109 SER 70 HB3 -0.0044 0.0043 0.0044 2110 SER 70 HB2 -0.0055 0.0053 0.0047 2111 SER 70 HG -0.0041 0.0062 0.0061 2112 THR 71 N -0.0021 0.0036 0.0049 2113 THR 71 CA -0.0007 0.0032 0.0052 2114 THR 71 C 0.0000 0.0035 0.0057 2115 THR 71 O 0.0012 0.0029 0.0058 2116 THR 71 CB -0.0001 0.0039 0.0060 2117 THR 71 OG1 -0.0005 0.0051 0.0068 2118 THR 71 CG2 -0.0007 0.0036 0.0055 2119 THR 71 H -0.0026 0.0044 0.0053 2120 THR 71 HA -0.0004 0.0023 0.0046 2121 THR 71 HB 0.0010 0.0035 0.0062 2122 THR 71 HG1 -0.0000 0.0052 0.0072 2123 THR 71 HG21 -0.0002 0.0040 0.0061 2124 THR 71 HG22 -0.0004 0.0027 0.0049 2125 THR 71 HG23 -0.0017 0.0039 0.0053 2126 SER 72 N -0.0001 -0.0014 0.0049 2127 SER 72 CA 0.0012 -0.0011 0.0052 2128 SER 72 C 0.0006 -0.0017 0.0050 2129 SER 72 O 0.0003 -0.0007 0.0051 2130 SER 72 CB 0.0016 0.0007 0.0056 2131 SER 72 OG 0.0001 0.0017 0.0055 2132 SER 72 H -0.0013 -0.0009 0.0047 2133 SER 72 HA 0.0023 -0.0018 0.0054 2134 SER 72 HB3 0.0023 0.0010 0.0058 2135 SER 72 HB2 0.0024 0.0010 0.0058 2136 SER 72 HG -0.0006 0.0013 0.0052 2137 PRO 73 N 0.0004 -0.0034 0.0047 2138 PRO 73 CA -0.0003 -0.0040 0.0044 2139 PRO 73 C 0.0008 -0.0038 0.0047 2140 PRO 73 O 0.0022 -0.0037 0.0051 2141 PRO 73 CB -0.0006 -0.0058 0.0041 2142 PRO 73 CG 0.0007 -0.0063 0.0043 2143 PRO 73 CD 0.0009 -0.0047 0.0046 2144 PRO 73 HA -0.0015 -0.0034 0.0043 2145 PRO 73 HB3 -0.0018 -0.0059 0.0038 2146 PRO 73 HB2 -0.0006 -0.0067 0.0040 2147 PRO 73 HG3 0.0004 -0.0073 0.0041 2148 PRO 73 HG2 0.0018 -0.0066 0.0045 2149 PRO 73 HD2 0.0021 -0.0046 0.0049 2150 PRO 73 HD3 0.0001 -0.0047 0.0044 2151 TRP 74 N -0.0021 -0.0051 0.0014 2152 TRP 74 CA -0.0012 -0.0052 0.0013 2153 TRP 74 C -0.0018 -0.0069 0.0011 2154 TRP 74 O -0.0031 -0.0078 0.0011 2155 TRP 74 CB -0.0014 -0.0034 0.0016 2156 TRP 74 CG -0.0033 -0.0029 0.0018 2157 TRP 74 CD1 -0.0039 -0.0033 0.0018 2158 TRP 74 CD2 -0.0047 -0.0018 0.0021 2159 TRP 74 NE1 -0.0056 -0.0025 0.0021 2160 TRP 74 CE2 -0.0062 -0.0015 0.0022 2161 TRP 74 CE3 -0.0049 -0.0009 0.0022 2162 TRP 74 CZ2 -0.0077 -0.0005 0.0025 2163 TRP 74 CZ3 -0.0064 0.0001 0.0025 2164 TRP 74 CH2 -0.0079 0.0003 0.0026 2165 TRP 74 H -0.0035 -0.0055 0.0015 2166 TRP 74 HA 0.0003 -0.0054 0.0012 2167 TRP 74 HB3 -0.0009 -0.0023 0.0017 2168 TRP 74 HB2 -0.0005 -0.0034 0.0015 2169 TRP 74 HD1 -0.0032 -0.0041 0.0016 2170 TRP 74 HE1 -0.0063 -0.0025 0.0021 2171 TRP 74 HE3 -0.0038 -0.0011 0.0021 2172 TRP 74 HZ2 -0.0088 -0.0004 0.0026 2173 TRP 74 HZ3 -0.0065 0.0007 0.0026 2174 TRP 74 HH2 -0.0091 0.0011 0.0028 2175 ASN 75 N -0.0009 -0.0072 0.0010 2176 ASN 75 CA -0.0013 -0.0087 0.0008 2177 ASN 75 C -0.0011 -0.0079 0.0009 2178 ASN 75 O 0.0002 -0.0069 0.0010 2179 ASN 75 CB 0.0001 -0.0103 0.0005 2180 ASN 75 CG -0.0003 -0.0114 0.0004 2181 ASN 75 OD1 0.0003 -0.0108 0.0004 2182 ASN 75 ND2 -0.0012 -0.0129 0.0002 2183 ASN 75 H 0.0003 -0.0065 0.0010 2184 ASN 75 HA -0.0027 -0.0092 0.0009 2185 ASN 75 HB3 -0.0001 -0.0113 0.0004 2186 ASN 75 HB2 0.0015 -0.0098 0.0005 2187 ASN 75 HD22 -0.0015 -0.0136 0.0002 2188 ASN 75 HD21 -0.0017 -0.0135 0.0002 2189 LEU 76 N -0.0036 -0.0139 0.0011 2190 LEU 76 CA -0.0031 -0.0122 0.0011 2191 LEU 76 C -0.0014 -0.0130 0.0018 2192 LEU 76 O -0.0016 -0.0149 0.0020 2193 LEU 76 CB -0.0051 -0.0115 0.0002 2194 LEU 76 CG -0.0068 -0.0103 -0.0006 2195 LEU 76 CD1 -0.0089 -0.0101 -0.0014 2196 LEU 76 CD2 -0.0059 -0.0080 -0.0006 2197 LEU 76 H -0.0048 -0.0150 0.0008 2198 LEU 76 HA -0.0024 -0.0106 0.0011 2199 LEU 76 HB3 -0.0046 -0.0104 0.0002 2200 LEU 76 HB2 -0.0058 -0.0131 0.0002 2201 LEU 76 HG -0.0072 -0.0114 -0.0006 2202 LEU 76 HD11 -0.0102 -0.0095 -0.0020 2203 LEU 76 HD12 -0.0094 -0.0117 -0.0014 2204 LEU 76 HD13 -0.0086 -0.0088 -0.0015 2205 LEU 76 HD21 -0.0071 -0.0066 -0.0012 2206 LEU 76 HD22 -0.0044 -0.0074 -0.0001 2207 LEU 76 HD23 -0.0057 -0.0080 -0.0005 2208 HIS 77 N 0.0003 -0.0116 0.0023 2209 HIS 77 CA 0.0020 -0.0119 0.0029 2210 HIS 77 C 0.0016 -0.0103 0.0026 2211 HIS 77 O 0.0012 -0.0083 0.0022 2212 HIS 77 CB 0.0042 -0.0113 0.0037 2213 HIS 77 CG 0.0048 -0.0130 0.0041 2214 HIS 77 ND1 0.0035 -0.0136 0.0037 2215 HIS 77 CD2 0.0066 -0.0142 0.0050 2216 HIS 77 CE1 0.0045 -0.0151 0.0043 2217 HIS 77 NE2 0.0064 -0.0156 0.0051 2218 HIS 77 H 0.0004 -0.0100 0.0021 2219 HIS 77 HA 0.0019 -0.0137 0.0032 2220 HIS 77 HB3 0.0055 -0.0113 0.0042 2221 HIS 77 HB2 0.0042 -0.0096 0.0035 2222 HIS 77 HD1 0.0020 -0.0130 0.0031 2223 HIS 77 HD2 0.0080 -0.0143 0.0055 2224 HIS 77 HE1 0.0038 -0.0159 0.0042 2225 ARG 78 N 0.0019 -0.0107 0.0054 2226 ARG 78 CA 0.0029 -0.0079 0.0043 2227 ARG 78 C 0.0048 -0.0061 0.0062 2228 ARG 78 O 0.0059 -0.0062 0.0084 2229 ARG 78 CB 0.0028 -0.0080 0.0043 2230 ARG 78 CG 0.0035 -0.0053 0.0028 2231 ARG 78 CD 0.0034 -0.0055 0.0028 2232 ARG 78 NE 0.0043 -0.0029 0.0018 2233 ARG 78 CZ 0.0061 -0.0010 0.0033 2234 ARG 78 NH1 0.0068 0.0013 0.0022 2235 ARG 78 NH2 0.0072 -0.0014 0.0060 2236 ARG 78 H 0.0019 -0.0119 0.0068 2237 ARG 78 HA 0.0022 -0.0072 0.0022 2238 ARG 78 HB3 0.0036 -0.0085 0.0064 2239 ARG 78 HB2 0.0014 -0.0096 0.0033 2240 ARG 78 HG3 0.0026 -0.0050 0.0007 2241 ARG 78 HG2 0.0049 -0.0036 0.0036 2242 ARG 78 HD3 0.0037 -0.0067 0.0047 2243 ARG 78 HD2 0.0020 -0.0066 0.0013 2244 ARG 78 HH22 0.0086 0.0002 0.0069 2245 ARG 78 HH21 0.0069 -0.0031 0.0071 2246 ARG 78 HH12 0.0081 0.0029 0.0031 2247 ARG 78 HH11 0.0061 0.0017 0.0003 2248 ARG 78 HE 0.0036 -0.0025 -0.0002 2249 ASN 79 N 0.0051 -0.0045 0.0052 2250 ASN 79 CA 0.0069 -0.0025 0.0065 2251 ASN 79 C 0.0078 0.0001 0.0055 2252 ASN 79 O 0.0072 0.0013 0.0030 2253 ASN 79 CB 0.0065 -0.0024 0.0056 2254 ASN 79 CG 0.0081 -0.0004 0.0065 2255 ASN 79 OD1 0.0093 0.0019 0.0065 2256 ASN 79 ND2 0.0079 -0.0012 0.0071 2257 ASN 79 H 0.0042 -0.0044 0.0032 2258 ASN 79 HA 0.0076 -0.0032 0.0087 2259 ASN 79 HB3 0.0056 -0.0020 0.0034 2260 ASN 79 HB2 0.0057 -0.0044 0.0063 2261 ASN 79 HD22 0.0089 0.0001 0.0077 2262 ASN 79 HD21 0.0068 -0.0030 0.0069 2263 GLU 80 N 0.0049 0.0042 0.0057 2264 GLU 80 CA 0.0062 0.0058 0.0053 2265 GLU 80 C 0.0063 0.0066 0.0062 2266 GLU 80 O 0.0056 0.0063 0.0077 2267 GLU 80 CB 0.0068 0.0070 0.0057 2268 GLU 80 CG 0.0081 0.0087 0.0052 2269 GLU 80 CD 0.0088 0.0096 0.0051 2270 GLU 80 OE1 0.0083 0.0096 0.0064 2271 GLU 80 OE2 0.0096 0.0101 0.0036 2272 GLU 80 H 0.0044 0.0042 0.0071 2273 GLU 80 HA 0.0067 0.0057 0.0038 2274 GLU 80 HB3 0.0063 0.0071 0.0072 2275 GLU 80 HB2 0.0066 0.0064 0.0050 2276 GLU 80 HG3 0.0085 0.0086 0.0039 2277 GLU 80 HG2 0.0082 0.0095 0.0063 2278 ASP 81 N 0.0073 0.0075 0.0052 2279 ASP 81 CA 0.0076 0.0082 0.0057 2280 ASP 81 C 0.0090 0.0097 0.0047 2281 ASP 81 O 0.0095 0.0095 0.0030 2282 ASP 81 CB 0.0070 0.0069 0.0049 2283 ASP 81 CG 0.0072 0.0072 0.0051 2284 ASP 81 OD1 0.0079 0.0086 0.0056 2285 ASP 81 OD2 0.0065 0.0060 0.0046 2286 ASP 81 H 0.0079 0.0077 0.0040 2287 ASP 81 HA 0.0073 0.0086 0.0072 2288 ASP 81 HB3 0.0073 0.0064 0.0034 2289 ASP 81 HB2 0.0061 0.0058 0.0055 2290 PRO 82 N 0.0047 0.0151 0.0049 2291 PRO 82 CA 0.0071 0.0148 0.0051 2292 PRO 82 C 0.0076 0.0124 0.0039 2293 PRO 82 O 0.0098 0.0117 0.0039 2294 PRO 82 CB 0.0068 0.0166 0.0061 2295 PRO 82 CG 0.0039 0.0170 0.0058 2296 PRO 82 CD 0.0028 0.0167 0.0054 2297 PRO 82 HA 0.0087 0.0151 0.0056 2298 PRO 82 HB3 0.0075 0.0182 0.0071 2299 PRO 82 HB2 0.0078 0.0161 0.0060 2300 PRO 82 HG3 0.0033 0.0186 0.0066 2301 PRO 82 HG2 0.0033 0.0156 0.0049 2302 PRO 82 HD2 0.0010 0.0160 0.0047 2303 PRO 82 HD3 0.0026 0.0183 0.0063 2304 GLU 83 N 0.0056 0.0111 0.0028 2305 GLU 83 CA 0.0057 0.0088 0.0015 2306 GLU 83 C 0.0065 0.0071 0.0007 2307 GLU 83 O 0.0065 0.0050 -0.0004 2308 GLU 83 CB 0.0031 0.0083 0.0008 2309 GLU 83 CG 0.0025 0.0097 0.0015 2310 GLU 83 CD 0.0044 0.0089 0.0014 2311 GLU 83 OE1 0.0046 0.0069 0.0003 2312 GLU 83 OE2 0.0056 0.0104 0.0024 2313 GLU 83 H 0.0039 0.0118 0.0029 2314 GLU 83 HA 0.0072 0.0085 0.0016 2315 GLU 83 HB3 0.0030 0.0065 -0.0002 2316 GLU 83 HB2 0.0016 0.0088 0.0008 2317 GLU 83 HG3 0.0006 0.0094 0.0009 2318 GLU 83 HG2 0.0025 0.0115 0.0025 2319 ARG 84 N 0.0084 0.0045 0.0011 2320 ARG 84 CA 0.0079 0.0050 0.0010 2321 ARG 84 C 0.0074 0.0048 0.0013 2322 ARG 84 O 0.0072 0.0043 0.0016 2323 ARG 84 CB 0.0077 0.0051 0.0010 2324 ARG 84 CG 0.0073 0.0057 0.0008 2325 ARG 84 CD 0.0071 0.0058 0.0008 2326 ARG 84 NE 0.0068 0.0054 0.0012 2327 ARG 84 CZ 0.0069 0.0052 0.0013 2328 ARG 84 NH1 0.0065 0.0048 0.0016 2329 ARG 84 NH2 0.0073 0.0054 0.0010 2330 ARG 84 H 0.0083 0.0041 0.0014 2331 ARG 84 HA 0.0081 0.0053 0.0007 2332 ARG 84 HB3 0.0076 0.0048 0.0013 2333 ARG 84 HB2 0.0082 0.0052 0.0008 2334 ARG 84 HG3 0.0075 0.0061 0.0005 2335 ARG 84 HG2 0.0068 0.0057 0.0010 2336 ARG 84 HD3 0.0075 0.0059 0.0006 2337 ARG 84 HD2 0.0067 0.0062 0.0007 2338 ARG 84 HH22 0.0073 0.0052 0.0011 2339 ARG 84 HH21 0.0077 0.0054 0.0008 2340 ARG 84 HH12 0.0065 0.0047 0.0017 2341 ARG 84 HH11 0.0063 0.0045 0.0018 2342 ARG 84 HE 0.0065 0.0052 0.0014 2343 TYR 85 N 0.0070 0.0053 0.0012 2344 TYR 85 CA 0.0064 0.0053 0.0014 2345 TYR 85 C 0.0060 0.0058 0.0012 2346 TYR 85 O 0.0061 0.0063 0.0009 2347 TYR 85 CB 0.0064 0.0053 0.0014 2348 TYR 85 CG 0.0058 0.0052 0.0016 2349 TYR 85 CD1 0.0053 0.0057 0.0015 2350 TYR 85 CD2 0.0056 0.0047 0.0020 2351 TYR 85 CE1 0.0047 0.0057 0.0017 2352 TYR 85 CE2 0.0050 0.0047 0.0022 2353 TYR 85 CZ 0.0046 0.0052 0.0021 2354 TYR 85 OH 0.0040 0.0051 0.0023 2355 TYR 85 H 0.0072 0.0057 0.0009 2356 TYR 85 HA 0.0062 0.0049 0.0017 2357 TYR 85 HB3 0.0066 0.0057 0.0011 2358 TYR 85 HB2 0.0068 0.0049 0.0015 2359 TYR 85 HD1 0.0054 0.0062 0.0012 2360 TYR 85 HD2 0.0060 0.0043 0.0021 2361 TYR 85 HE1 0.0043 0.0061 0.0016 2362 TYR 85 HE2 0.0049 0.0042 0.0025 2363 TYR 85 HH 0.0040 0.0048 0.0025 2364 PRO 86 N 0.0079 0.0051 -0.0004 2365 PRO 86 CA 0.0080 0.0056 -0.0005 2366 PRO 86 C 0.0074 0.0059 0.0005 2367 PRO 86 O 0.0069 0.0053 0.0013 2368 PRO 86 CB 0.0082 0.0045 -0.0011 2369 PRO 86 CG 0.0084 0.0038 -0.0017 2370 PRO 86 CD 0.0080 0.0039 -0.0009 2371 PRO 86 HA 0.0084 0.0063 -0.0010 2372 PRO 86 HB3 0.0085 0.0048 -0.0017 2373 PRO 86 HB2 0.0078 0.0040 -0.0006 2374 PRO 86 HG3 0.0089 0.0041 -0.0024 2375 PRO 86 HG2 0.0084 0.0028 -0.0019 2376 PRO 86 HD2 0.0075 0.0033 -0.0003 2377 PRO 86 HD3 0.0081 0.0036 -0.0013 2378 SER 87 N 0.0075 0.0069 0.0006 2379 SER 87 CA 0.0070 0.0073 0.0016 2380 SER 87 C 0.0068 0.0064 0.0019 2381 SER 87 O 0.0062 0.0062 0.0028 2382 SER 87 CB 0.0073 0.0086 0.0015 2383 SER 87 OG 0.0078 0.0087 0.0007 2384 SER 87 H 0.0080 0.0074 0.0000 2385 SER 87 HA 0.0067 0.0073 0.0022 2386 SER 87 HB3 0.0074 0.0092 0.0014 2387 SER 87 HB2 0.0069 0.0089 0.0022 2388 SER 87 HG 0.0077 0.0091 0.0009 2389 VAL 88 N 0.0069 0.0065 0.0002 2390 VAL 88 CA 0.0063 0.0046 0.0005 2391 VAL 88 C 0.0058 0.0036 -0.0004 2392 VAL 88 O 0.0057 0.0040 -0.0020 2393 VAL 88 CB 0.0060 0.0042 -0.0004 2394 VAL 88 CG1 0.0052 0.0022 -0.0003 2395 VAL 88 CG2 0.0065 0.0052 0.0004 2396 VAL 88 H 0.0069 0.0070 -0.0011 2397 VAL 88 HA 0.0063 0.0043 0.0020 2398 VAL 88 HB 0.0059 0.0045 -0.0019 2399 VAL 88 HG11 0.0051 0.0019 -0.0007 2400 VAL 88 HG12 0.0048 0.0014 -0.0011 2401 VAL 88 HG13 0.0053 0.0017 0.0012 2402 VAL 88 HG21 0.0063 0.0049 -0.0002 2403 VAL 88 HG22 0.0066 0.0049 0.0019 2404 VAL 88 HG23 0.0070 0.0066 0.0002 2405 ILE 89 N 0.0054 0.0023 0.0006 2406 ILE 89 CA 0.0048 0.0009 -0.0001 2407 ILE 89 C 0.0042 -0.0008 0.0005 2408 ILE 89 O 0.0044 -0.0010 0.0021 2409 ILE 89 CB 0.0050 0.0011 0.0008 2410 ILE 89 CG1 0.0055 0.0028 0.0002 2411 ILE 89 CG2 0.0044 -0.0005 0.0006 2412 ILE 89 CD1 0.0053 0.0030 -0.0019 2413 ILE 89 H 0.0055 0.0020 0.0019 2414 ILE 89 HA 0.0046 0.0010 -0.0016 2415 ILE 89 HB 0.0052 0.0012 0.0023 2416 ILE 89 HG13 0.0057 0.0029 0.0010 2417 ILE 89 HG12 0.0060 0.0039 0.0004 2418 ILE 89 HG21 0.0045 -0.0003 0.0013 2419 ILE 89 HG22 0.0040 -0.0017 0.0013 2420 ILE 89 HG23 0.0041 -0.0008 -0.0008 2421 ILE 89 HD11 0.0057 0.0041 -0.0022 2422 ILE 89 HD12 0.0048 0.0018 -0.0024 2423 ILE 89 HD13 0.0052 0.0032 -0.0028 2424 TRP 90 N -0.0002 -0.0036 -0.0009 2425 TRP 90 CA -0.0008 -0.0057 -0.0005 2426 TRP 90 C -0.0006 -0.0058 -0.0003 2427 TRP 90 O -0.0015 -0.0050 -0.0014 2428 TRP 90 CB -0.0027 -0.0066 -0.0018 2429 TRP 90 CG -0.0030 -0.0070 -0.0019 2430 TRP 90 CD1 -0.0034 -0.0056 -0.0028 2431 TRP 90 CD2 -0.0028 -0.0088 -0.0009 2432 TRP 90 NE1 -0.0036 -0.0065 -0.0026 2433 TRP 90 CE2 -0.0033 -0.0085 -0.0014 2434 TRP 90 CE3 -0.0024 -0.0107 0.0002 2435 TRP 90 CZ2 -0.0033 -0.0100 -0.0008 2436 TRP 90 CZ3 -0.0024 -0.0123 0.0009 2437 TRP 90 CH2 -0.0029 -0.0119 0.0004 2438 TRP 90 H -0.0010 -0.0026 -0.0020 2439 TRP 90 HA -0.0001 -0.0068 0.0005 2440 TRP 90 HB3 -0.0033 -0.0081 -0.0016 2441 TRP 90 HB2 -0.0035 -0.0055 -0.0029 2442 TRP 90 HD1 -0.0036 -0.0041 -0.0036 2443 TRP 90 HE1 -0.0040 -0.0058 -0.0032 2444 TRP 90 HE3 -0.0020 -0.0109 0.0007 2445 TRP 90 HZ2 -0.0036 -0.0098 -0.0012 2446 TRP 90 HZ3 -0.0021 -0.0137 0.0018 2447 TRP 90 HH2 -0.0029 -0.0131 0.0009 2448 GLU 91 N 0.0006 -0.0069 0.0011 2449 GLU 91 CA 0.0010 -0.0069 0.0015 2450 GLU 91 C 0.0001 -0.0092 0.0017 2451 GLU 91 O 0.0005 -0.0107 0.0027 2452 GLU 91 CB 0.0030 -0.0063 0.0029 2453 GLU 91 CG 0.0035 -0.0066 0.0035 2454 GLU 91 CD 0.0054 -0.0054 0.0045 2455 GLU 91 OE1 0.0066 -0.0053 0.0055 2456 GLU 91 OE2 0.0056 -0.0049 0.0045 2457 GLU 91 H 0.0012 -0.0077 0.0019 2458 GLU 91 HA 0.0005 -0.0058 0.0005 2459 GLU 91 HB3 0.0036 -0.0070 0.0037 2460 GLU 91 HB2 0.0034 -0.0046 0.0025 2461 GLU 91 HG3 0.0026 -0.0061 0.0025 2462 GLU 91 HG2 0.0034 -0.0083 0.0041 2463 ALA 92 N -0.0009 -0.0060 0.0019 2464 ALA 92 CA -0.0010 -0.0068 0.0019 2465 ALA 92 C 0.0005 -0.0069 0.0022 2466 ALA 92 O 0.0012 -0.0058 0.0023 2467 ALA 92 CB -0.0020 -0.0059 0.0016 2468 ALA 92 H -0.0011 -0.0049 0.0018 2469 ALA 92 HA -0.0015 -0.0079 0.0018 2470 ALA 92 HB1 -0.0022 -0.0064 0.0016 2471 ALA 92 HB2 -0.0031 -0.0058 0.0014 2472 ALA 92 HB3 -0.0016 -0.0048 0.0016 2473 LYS 93 N 0.0008 -0.0083 0.0023 2474 LYS 93 CA 0.0020 -0.0086 0.0026 2475 LYS 93 C 0.0013 -0.0093 0.0025 2476 LYS 93 O 0.0004 -0.0103 0.0024 2477 LYS 93 CB 0.0031 -0.0096 0.0029 2478 LYS 93 CG 0.0038 -0.0090 0.0031 2479 LYS 93 CD 0.0046 -0.0075 0.0031 2480 LYS 93 CE 0.0056 -0.0071 0.0033 2481 LYS 93 NZ 0.0061 -0.0056 0.0034 2482 LYS 93 H 0.0002 -0.0092 0.0022 2483 LYS 93 HA 0.0025 -0.0075 0.0027 2484 LYS 93 HB3 0.0040 -0.0098 0.0031 2485 LYS 93 HB2 0.0026 -0.0107 0.0029 2486 LYS 93 HG3 0.0046 -0.0098 0.0033 2487 LYS 93 HG2 0.0030 -0.0090 0.0029 2488 LYS 93 HD3 0.0037 -0.0066 0.0029 2489 LYS 93 HD2 0.0052 -0.0074 0.0033 2490 LYS 93 HE3 0.0065 -0.0079 0.0036 2491 LYS 93 HE2 0.0050 -0.0074 0.0032 2492 LYS 93 HZ1 0.0052 -0.0049 0.0032 2493 LYS 93 HZ2 0.0068 -0.0054 0.0035 2494 LYS 93 HZ3 0.0065 -0.0052 0.0034 2495 CYS 94 N 0.0051 -0.0049 0.0044 2496 CYS 94 CA 0.0050 -0.0058 0.0041 2497 CYS 94 C 0.0056 -0.0072 0.0040 2498 CYS 94 O 0.0065 -0.0074 0.0045 2499 CYS 94 CB 0.0056 -0.0053 0.0046 2500 CYS 94 SG 0.0052 -0.0035 0.0048 2501 CYS 94 H 0.0056 -0.0042 0.0049 2502 CYS 94 HA 0.0041 -0.0059 0.0035 2503 CYS 94 HB3 0.0054 -0.0059 0.0043 2504 CYS 94 HB2 0.0065 -0.0055 0.0051 2505 ARG 95 N 0.0051 -0.0082 0.0034 2506 ARG 95 CA 0.0055 -0.0096 0.0032 2507 ARG 95 C 0.0065 -0.0103 0.0037 2508 ARG 95 O 0.0071 -0.0113 0.0037 2509 ARG 95 CB 0.0044 -0.0103 0.0023 2510 ARG 95 CG 0.0045 -0.0117 0.0019 2511 ARG 95 CD 0.0034 -0.0124 0.0011 2512 ARG 95 NE 0.0023 -0.0116 0.0006 2513 ARG 95 CZ 0.0011 -0.0117 -0.0001 2514 ARG 95 NH1 0.0009 -0.0126 -0.0005 2515 ARG 95 NH2 0.0003 -0.0108 -0.0003 2516 ARG 95 H 0.0044 -0.0080 0.0030 2517 ARG 95 HA 0.0057 -0.0097 0.0033 2518 ARG 95 HB3 0.0041 -0.0103 0.0022 2519 ARG 95 HB2 0.0036 -0.0097 0.0020 2520 ARG 95 HG3 0.0047 -0.0118 0.0021 2521 ARG 95 HG2 0.0052 -0.0123 0.0022 2522 ARG 95 HD3 0.0035 -0.0133 0.0009 2523 ARG 95 HD2 0.0033 -0.0127 0.0009 2524 ARG 95 HH22 -0.0006 -0.0109 -0.0009 2525 ARG 95 HH21 0.0004 -0.0099 0.0000 2526 ARG 95 HH12 0.0000 -0.0127 -0.0011 2527 ARG 95 HH11 0.0015 -0.0133 -0.0003 2528 ARG 95 HE 0.0024 -0.0109 0.0009 2529 HIS 96 N 0.0150 -0.0159 0.0068 2530 HIS 96 CA 0.0166 -0.0153 0.0066 2531 HIS 96 C 0.0184 -0.0118 0.0061 2532 HIS 96 O 0.0176 -0.0096 0.0059 2533 HIS 96 CB 0.0137 -0.0155 0.0068 2534 HIS 96 CG 0.0115 -0.0187 0.0074 2535 HIS 96 ND1 0.0128 -0.0220 0.0076 2536 HIS 96 CD2 0.0080 -0.0191 0.0077 2537 HIS 96 CE1 0.0102 -0.0242 0.0081 2538 HIS 96 NE2 0.0072 -0.0227 0.0081 2539 HIS 96 H 0.0140 -0.0137 0.0066 2540 HIS 96 HA 0.0186 -0.0173 0.0067 2541 HIS 96 HB3 0.0149 -0.0152 0.0067 2542 HIS 96 HB2 0.0120 -0.0132 0.0067 2543 HIS 96 HD1 0.0153 -0.0227 0.0075 2544 HIS 96 HD2 0.0061 -0.0172 0.0076 2545 HIS 96 HE1 0.0104 -0.0270 0.0084 2546 LEU 97 N 0.0207 -0.0113 0.0059 2547 LEU 97 CA 0.0223 -0.0079 0.0054 2548 LEU 97 C 0.0198 -0.0057 0.0053 2549 LEU 97 O 0.0192 -0.0026 0.0050 2550 LEU 97 CB 0.0258 -0.0085 0.0052 2551 LEU 97 CG 0.0287 -0.0105 0.0052 2552 LEU 97 CD1 0.0318 -0.0114 0.0051 2553 LEU 97 CD2 0.0299 -0.0084 0.0049 2554 LEU 97 H 0.0213 -0.0133 0.0061 2555 LEU 97 HA 0.0228 -0.0065 0.0052 2556 LEU 97 HB3 0.0268 -0.0059 0.0048 2557 LEU 97 HB2 0.0253 -0.0099 0.0054 2558 LEU 97 HG 0.0276 -0.0129 0.0056 2559 LEU 97 HD11 0.0337 -0.0129 0.0051 2560 LEU 97 HD12 0.0309 -0.0129 0.0053 2561 LEU 97 HD13 0.0331 -0.0091 0.0047 2562 LEU 97 HD21 0.0327 -0.0082 0.0047 2563 LEU 97 HD22 0.0288 -0.0058 0.0047 2564 LEU 97 HD23 0.0291 -0.0098 0.0051 2565 GLY 98 N 0.0156 -0.0075 0.0040 2566 GLY 98 CA 0.0137 -0.0055 0.0047 2567 GLY 98 C 0.0112 -0.0061 0.0062 2568 GLY 98 O 0.0111 -0.0078 0.0066 2569 GLY 98 H 0.0159 -0.0093 0.0042 2570 GLY 98 HA3 0.0136 -0.0057 0.0048 2571 GLY 98 HA2 0.0141 -0.0035 0.0041 2572 CYS 99 N 0.0092 -0.0047 0.0070 2573 CYS 99 CA 0.0067 -0.0051 0.0084 2574 CYS 99 C 0.0053 -0.0061 0.0094 2575 CYS 99 O 0.0058 -0.0055 0.0090 2576 CYS 99 CB 0.0054 -0.0023 0.0086 2577 CYS 99 SG 0.0068 -0.0007 0.0076 2578 CYS 99 H 0.0094 -0.0035 0.0067 2579 CYS 99 HA 0.0067 -0.0065 0.0087 2580 CYS 99 HB3 0.0035 -0.0026 0.0097 2581 CYS 99 HB2 0.0052 -0.0009 0.0085 2582 ILE 100 N 0.0089 -0.0090 0.0135 2583 ILE 100 CA 0.0094 -0.0080 0.0137 2584 ILE 100 C 0.0101 -0.0080 0.0142 2585 ILE 100 O 0.0105 -0.0088 0.0146 2586 ILE 100 CB 0.0099 -0.0080 0.0141 2587 ILE 100 CG1 0.0093 -0.0080 0.0136 2588 ILE 100 CG2 0.0106 -0.0069 0.0144 2589 ILE 100 CD1 0.0086 -0.0072 0.0130 2590 ILE 100 H 0.0090 -0.0096 0.0137 2591 ILE 100 HA 0.0090 -0.0074 0.0133 2592 ILE 100 HB 0.0103 -0.0086 0.0144 2593 ILE 100 HG13 0.0096 -0.0080 0.0139 2594 ILE 100 HG12 0.0090 -0.0088 0.0135 2595 ILE 100 HG21 0.0108 -0.0069 0.0145 2596 ILE 100 HG22 0.0111 -0.0070 0.0148 2597 ILE 100 HG23 0.0102 -0.0062 0.0140 2598 ILE 100 HD11 0.0083 -0.0071 0.0128 2599 ILE 100 HD12 0.0089 -0.0065 0.0130 2600 ILE 100 HD13 0.0081 -0.0075 0.0126 2601 ASN 101 N 0.0101 -0.0071 0.0141 2602 ASN 101 CA 0.0107 -0.0069 0.0145 2603 ASN 101 C 0.0116 -0.0064 0.0150 2604 ASN 101 O 0.0117 -0.0061 0.0151 2605 ASN 101 CB 0.0103 -0.0063 0.0140 2606 ASN 101 CG 0.0103 -0.0051 0.0139 2607 ASN 101 OD1 0.0104 -0.0047 0.0139 2608 ASN 101 ND2 0.0102 -0.0046 0.0137 2609 ASN 101 H 0.0098 -0.0066 0.0137 2610 ASN 101 HA 0.0109 -0.0077 0.0147 2611 ASN 101 HB3 0.0096 -0.0067 0.0136 2612 ASN 101 HB2 0.0106 -0.0065 0.0143 2613 ASN 101 HD22 0.0103 -0.0037 0.0136 2614 ASN 101 HD21 0.0100 -0.0049 0.0136 2615 ALA 102 N 0.0354 -0.0183 0.0083 2616 ALA 102 CA 0.0456 -0.0139 0.0061 2617 ALA 102 C 0.0439 -0.0015 0.0121 2618 ALA 102 O 0.0535 0.0059 0.0115 2619 ALA 102 CB 0.0468 -0.0247 0.0009 2620 ALA 102 H 0.0301 -0.0269 0.0067 2621 ALA 102 HA 0.0548 -0.0118 0.0033 2622 ALA 102 HB1 0.0547 -0.0219 -0.0010 2623 ALA 102 HB2 0.0489 -0.0333 -0.0036 2624 ALA 102 HB3 0.0380 -0.0272 0.0034 2625 ASP 103 N 0.0316 0.0006 0.0178 2626 ASP 103 CA 0.0277 0.0119 0.0242 2627 ASP 103 C 0.0300 0.0238 0.0284 2628 ASP 103 O 0.0295 0.0345 0.0332 2629 ASP 103 CB 0.0133 0.0099 0.0291 2630 ASP 103 CG 0.0081 -0.0030 0.0257 2631 ASP 103 OD1 0.0155 -0.0083 0.0204 2632 ASP 103 OD2 -0.0037 -0.0071 0.0286 2633 ASP 103 H 0.0242 -0.0062 0.0179 2634 ASP 103 HA 0.0338 0.0140 0.0227 2635 ASP 103 HB3 0.0121 0.0172 0.0327 2636 ASP 103 HB2 0.0070 0.0114 0.0323 2637 GLY 104 N 0.0265 0.0086 0.0238 2638 GLY 104 CA 0.0294 0.0129 0.0266 2639 GLY 104 C 0.0213 0.0140 0.0285 2640 GLY 104 O 0.0220 0.0189 0.0320 2641 GLY 104 H 0.0267 0.0030 0.0197 2642 GLY 104 HA3 0.0328 0.0183 0.0301 2643 GLY 104 HA2 0.0344 0.0100 0.0237 2644 ASN 105 N 0.0135 0.0097 0.0265 2645 ASN 105 CA 0.0053 0.0100 0.0278 2646 ASN 105 C 0.0048 0.0036 0.0231 2647 ASN 105 O 0.0091 -0.0018 0.0186 2648 ASN 105 CB -0.0031 0.0093 0.0285 2649 ASN 105 CG -0.0048 0.0163 0.0338 2650 ASN 105 OD1 -0.0124 0.0173 0.0357 2651 ASN 105 ND2 0.0021 0.0213 0.0365 2652 ASN 105 H 0.0135 0.0054 0.0233 2653 ASN 105 HA 0.0055 0.0153 0.0316 2654 ASN 105 HB3 -0.0093 0.0081 0.0285 2655 ASN 105 HB2 -0.0029 0.0047 0.0250 2656 ASN 105 HD22 0.0010 0.0256 0.0399 2657 ASN 105 HD21 0.0086 0.0203 0.0349 2658 VAL 106 N 0.0080 -0.0078 0.0133 2659 VAL 106 CA 0.0091 -0.0079 0.0110 2660 VAL 106 C 0.0087 -0.0049 0.0092 2661 VAL 106 O 0.0088 -0.0038 0.0080 2662 VAL 106 CB 0.0110 -0.0100 0.0091 2663 VAL 106 CG1 0.0122 -0.0102 0.0068 2664 VAL 106 CG2 0.0115 -0.0130 0.0107 2665 VAL 106 H 0.0084 -0.0082 0.0129 2666 VAL 106 HA 0.0090 -0.0086 0.0119 2667 VAL 106 HB 0.0111 -0.0093 0.0081 2668 VAL 106 HG11 0.0135 -0.0118 0.0056 2669 VAL 106 HG12 0.0120 -0.0082 0.0053 2670 VAL 106 HG13 0.0120 -0.0107 0.0076 2671 VAL 106 HG21 0.0128 -0.0144 0.0094 2672 VAL 106 HG22 0.0115 -0.0139 0.0117 2673 VAL 106 HG23 0.0108 -0.0130 0.0124 2674 ASP 107 N 0.0082 -0.0037 0.0091 2675 ASP 107 CA 0.0081 -0.0013 0.0071 2676 ASP 107 C 0.0098 -0.0023 0.0045 2677 ASP 107 O 0.0105 -0.0041 0.0047 2678 ASP 107 CB 0.0068 0.0005 0.0082 2679 ASP 107 CG 0.0067 0.0030 0.0061 2680 ASP 107 OD1 0.0071 0.0041 0.0042 2681 ASP 107 OD2 0.0061 0.0039 0.0064 2682 ASP 107 H 0.0082 -0.0048 0.0101 2683 ASP 107 HA 0.0077 0.0001 0.0066 2684 ASP 107 HB3 0.0070 -0.0008 0.0090 2685 ASP 107 HB2 0.0055 0.0013 0.0100 2686 TYR 108 N 0.0138 0.0018 0.0038 2687 TYR 108 CA 0.0181 0.0016 -0.0002 2688 TYR 108 C 0.0181 0.0063 -0.0035 2689 TYR 108 O 0.0216 0.0062 -0.0068 2690 TYR 108 CB 0.0208 0.0001 -0.0019 2691 TYR 108 CG 0.0219 -0.0051 0.0007 2692 TYR 108 CD1 0.0256 -0.0089 -0.0002 2693 TYR 108 CD2 0.0192 -0.0063 0.0041 2694 TYR 108 CE1 0.0265 -0.0139 0.0023 2695 TYR 108 CE2 0.0202 -0.0112 0.0066 2696 TYR 108 CZ 0.0238 -0.0150 0.0057 2697 TYR 108 OH 0.0247 -0.0198 0.0081 2698 TYR 108 H 0.0123 0.0036 0.0040 2699 TYR 108 HA 0.0196 -0.0013 0.0003 2700 TYR 108 HB3 0.0238 0.0006 -0.0051 2701 TYR 108 HB2 0.0192 0.0026 -0.0020 2702 TYR 108 HD1 0.0276 -0.0081 -0.0028 2703 TYR 108 HD2 0.0163 -0.0035 0.0049 2704 TYR 108 HE1 0.0294 -0.0167 0.0015 2705 TYR 108 HE2 0.0181 -0.0121 0.0092 2706 TYR 108 HH 0.0276 -0.0220 0.0069 2707 HIS 109 N 0.0144 0.0103 -0.0027 2708 HIS 109 CA 0.0141 0.0148 -0.0056 2709 HIS 109 C 0.0144 0.0143 -0.0055 2710 HIS 109 O 0.0158 0.0169 -0.0086 2711 HIS 109 CB 0.0100 0.0192 -0.0046 2712 HIS 109 CG 0.0096 0.0200 -0.0047 2713 HIS 109 ND1 0.0072 0.0182 -0.0012 2714 HIS 109 CD2 0.0111 0.0225 -0.0080 2715 HIS 109 CE1 0.0075 0.0195 -0.0024 2716 HIS 109 NE2 0.0098 0.0222 -0.0065 2717 HIS 109 H 0.0116 0.0102 0.0001 2718 HIS 109 HA 0.0168 0.0157 -0.0087 2719 HIS 109 HB3 0.0099 0.0225 -0.0068 2720 HIS 109 HB2 0.0072 0.0186 -0.0015 2721 HIS 109 HD1 0.0057 0.0160 0.0018 2722 HIS 109 HD2 0.0131 0.0245 -0.0113 2723 HIS 109 HE1 0.0060 0.0185 -0.0002 2724 MET 110 N 0.0080 0.0047 0.0013 2725 MET 110 CA 0.0075 0.0047 0.0015 2726 MET 110 C 0.0083 0.0033 0.0013 2727 MET 110 O 0.0091 0.0024 0.0010 2728 MET 110 CB 0.0059 0.0045 0.0024 2729 MET 110 CG 0.0051 0.0059 0.0027 2730 MET 110 SD 0.0052 0.0077 0.0025 2731 MET 110 CE 0.0039 0.0074 0.0032 2732 MET 110 H 0.0078 0.0039 0.0015 2733 MET 110 HA 0.0077 0.0058 0.0013 2734 MET 110 HB3 0.0055 0.0044 0.0026 2735 MET 110 HB2 0.0057 0.0034 0.0026 2736 MET 110 HG3 0.0040 0.0056 0.0033 2737 MET 110 HG2 0.0055 0.0060 0.0025 2738 MET 110 HE1 0.0037 0.0085 0.0032 2739 MET 110 HE2 0.0029 0.0072 0.0037 2740 MET 110 HE3 0.0042 0.0064 0.0031 2741 ASN 111 N 0.0082 0.0033 0.0013 2742 ASN 111 CA 0.0089 0.0022 0.0010 2743 ASN 111 C 0.0079 0.0015 0.0017 2744 ASN 111 O 0.0071 0.0024 0.0020 2745 ASN 111 CB 0.0101 0.0030 0.0004 2746 ASN 111 CG 0.0113 0.0036 -0.0004 2747 ASN 111 OD1 0.0122 0.0044 -0.0009 2748 ASN 111 ND2 0.0115 0.0033 -0.0004 2749 ASN 111 H 0.0075 0.0042 0.0016 2750 ASN 111 HA 0.0094 0.0012 0.0009 2751 ASN 111 HB3 0.0105 0.0022 0.0002 2752 ASN 111 HB2 0.0096 0.0040 0.0005 2753 ASN 111 HD22 0.0124 0.0037 -0.0009 2754 ASN 111 HD21 0.0108 0.0028 0.0000 2755 SER 112 N 0.0054 -0.0007 0.0028 2756 SER 112 CA 0.0051 -0.0015 0.0032 2757 SER 112 C 0.0054 -0.0018 0.0028 2758 SER 112 O 0.0059 -0.0021 0.0021 2759 SER 112 CB 0.0050 -0.0024 0.0032 2760 SER 112 OG 0.0046 -0.0022 0.0038 2761 SER 112 H 0.0058 -0.0009 0.0024 2762 SER 112 HA 0.0046 -0.0013 0.0038 2763 SER 112 HB3 0.0048 -0.0031 0.0034 2764 SER 112 HB2 0.0055 -0.0025 0.0027 2765 SER 112 HG 0.0048 -0.0019 0.0035 2766 VAL 113 N 0.0051 -0.0018 0.0032 2767 VAL 113 CA 0.0054 -0.0021 0.0028 2768 VAL 113 C 0.0049 -0.0028 0.0033 2769 VAL 113 O 0.0043 -0.0027 0.0041 2770 VAL 113 CB 0.0055 -0.0012 0.0027 2771 VAL 113 CG1 0.0061 -0.0005 0.0021 2772 VAL 113 CG2 0.0049 -0.0005 0.0034 2773 VAL 113 H 0.0047 -0.0015 0.0037 2774 VAL 113 HA 0.0058 -0.0024 0.0023 2775 VAL 113 HB 0.0057 -0.0014 0.0025 2776 VAL 113 HG11 0.0062 0.0001 0.0019 2777 VAL 113 HG12 0.0065 -0.0009 0.0015 2778 VAL 113 HG13 0.0059 -0.0002 0.0022 2779 VAL 113 HG21 0.0051 0.0001 0.0033 2780 VAL 113 HG22 0.0047 -0.0003 0.0037 2781 VAL 113 HG23 0.0046 -0.0010 0.0039 2782 PRO 114 N 0.0000 -0.0037 0.0008 2783 PRO 114 CA -0.0005 -0.0035 0.0007 2784 PRO 114 C -0.0010 -0.0024 0.0006 2785 PRO 114 O -0.0004 -0.0016 0.0007 2786 PRO 114 CB 0.0003 -0.0038 0.0008 2787 PRO 114 CG 0.0014 -0.0035 0.0010 2788 PRO 114 CD 0.0012 -0.0038 0.0010 2789 PRO 114 HA -0.0012 -0.0041 0.0006 2790 PRO 114 HB3 0.0003 -0.0046 0.0009 2791 PRO 114 HB2 0.0002 -0.0033 0.0008 2792 PRO 114 HG3 0.0020 -0.0039 0.0011 2793 PRO 114 HG2 0.0015 -0.0027 0.0010 2794 PRO 114 HD2 0.0016 -0.0033 0.0010 2795 PRO 114 HD3 0.0014 -0.0047 0.0011 2796 ILE 115 N -0.0019 -0.0023 0.0004 2797 ILE 115 CA -0.0024 -0.0013 0.0003 2798 ILE 115 C -0.0021 -0.0011 0.0004 2799 ILE 115 O -0.0025 -0.0017 0.0003 2800 ILE 115 CB -0.0036 -0.0012 0.0001 2801 ILE 115 CG1 -0.0039 -0.0015 0.0001 2802 ILE 115 CG2 -0.0041 -0.0002 0.0000 2803 ILE 115 CD1 -0.0051 -0.0017 -0.0001 2804 ILE 115 H -0.0023 -0.0029 0.0004 2805 ILE 115 HA -0.0020 -0.0006 0.0004 2806 ILE 115 HB -0.0040 -0.0019 0.0001 2807 ILE 115 HG13 -0.0035 -0.0022 0.0002 2808 ILE 115 HG12 -0.0036 -0.0009 0.0001 2809 ILE 115 HG21 -0.0049 -0.0001 -0.0001 2810 ILE 115 HG22 -0.0039 0.0000 0.0000 2811 ILE 115 HG23 -0.0038 0.0005 0.0000 2812 ILE 115 HD11 -0.0054 -0.0011 -0.0002 2813 ILE 115 HD12 -0.0053 -0.0025 -0.0001 2814 ILE 115 HD13 -0.0056 -0.0015 -0.0002 2815 GLN 116 N -0.0007 -0.0007 -0.0016 2816 GLN 116 CA -0.0004 -0.0006 -0.0016 2817 GLN 116 C -0.0010 0.0003 -0.0016 2818 GLN 116 O -0.0010 0.0011 -0.0016 2819 GLN 116 CB 0.0007 -0.0004 -0.0015 2820 GLN 116 CG 0.0013 -0.0012 -0.0015 2821 GLN 116 CD 0.0024 -0.0011 -0.0015 2822 GLN 116 OE1 0.0028 -0.0017 -0.0015 2823 GLN 116 NE2 0.0029 -0.0004 -0.0015 2824 GLN 116 H -0.0004 -0.0002 -0.0016 2825 GLN 116 HA -0.0006 -0.0012 -0.0016 2826 GLN 116 HB3 0.0009 -0.0003 -0.0015 2827 GLN 116 HB2 0.0009 0.0003 -0.0015 2828 GLN 116 HG3 0.0013 -0.0012 -0.0015 2829 GLN 116 HG2 0.0011 -0.0019 -0.0015 2830 GLN 116 HE22 0.0037 -0.0003 -0.0015 2831 GLN 116 HE21 0.0027 0.0000 -0.0015 2832 GLN 117 N -0.0015 0.0000 -0.0016 2833 GLN 117 CA -0.0020 0.0007 -0.0016 2834 GLN 117 CA -0.0019 0.0008 -0.0016 2835 GLN 117 C -0.0013 0.0010 -0.0016 2836 GLN 117 O -0.0008 0.0004 -0.0016 2837 GLN 117 CB -0.0029 0.0002 -0.0016 2838 GLN 117 CB -0.0029 0.0004 -0.0016 2839 GLN 117 CG -0.0037 0.0009 -0.0017 2840 GLN 117 CG -0.0036 0.0011 -0.0017 2841 GLN 117 CD -0.0046 0.0004 -0.0017 2842 GLN 117 CD -0.0038 0.0022 -0.0017 2843 GLN 117 OE1 -0.0045 -0.0005 -0.0017 2844 GLN 117 OE1 -0.0042 0.0023 -0.0017 2845 GLN 117 NE2 -0.0054 0.0009 -0.0017 2846 GLN 117 NE2 -0.0036 0.0029 -0.0016 2847 GLN 117 H -0.0014 -0.0006 -0.0016 2848 GLN 117 HA -0.0022 0.0014 -0.0016 2849 GLN 117 HA -0.0019 0.0015 -0.0016 2850 GLN 117 HB3 -0.0027 -0.0003 -0.0016 2851 GLN 117 HB3 -0.0029 -0.0003 -0.0017 2852 GLN 117 HB2 -0.0033 -0.0002 -0.0017 2853 GLN 117 HB2 -0.0033 0.0003 -0.0017 2854 GLN 117 HG3 -0.0040 0.0014 -0.0017 2855 GLN 117 HG3 -0.0032 0.0012 -0.0016 2856 GLN 117 HG2 -0.0034 0.0013 -0.0017 2857 GLN 117 HG2 -0.0042 0.0007 -0.0017 2858 GLN 117 HE22 -0.0060 0.0005 -0.0017 2859 GLN 117 HE22 -0.0038 0.0036 -0.0016 2860 GLN 117 HE21 -0.0054 0.0016 -0.0017 2861 GLN 117 HE21 -0.0033 0.0028 -0.0016 2862 GLU 118 N 0.0024 0.0025 -0.0027 2863 GLU 118 CA 0.0034 0.0031 -0.0028 2864 GLU 118 C 0.0036 0.0032 -0.0029 2865 GLU 118 O 0.0031 0.0034 -0.0035 2866 GLU 118 CB 0.0037 0.0038 -0.0037 2867 GLU 118 CG 0.0037 0.0038 -0.0036 2868 GLU 118 CD 0.0042 0.0046 -0.0044 2869 GLU 118 OE1 0.0042 0.0051 -0.0051 2870 GLU 118 OE2 0.0047 0.0047 -0.0042 2871 GLU 118 H 0.0018 0.0027 -0.0033 2872 GLU 118 HA 0.0040 0.0029 -0.0021 2873 GLU 118 HB3 0.0044 0.0042 -0.0038 2874 GLU 118 HB2 0.0031 0.0040 -0.0043 2875 GLU 118 HG3 0.0029 0.0035 -0.0037 2876 GLU 118 HG2 0.0042 0.0036 -0.0030 2877 ILE 119 N 0.0044 0.0031 -0.0022 2878 ILE 119 CA 0.0048 0.0034 -0.0023 2879 ILE 119 C 0.0059 0.0039 -0.0022 2880 ILE 119 O 0.0065 0.0039 -0.0018 2881 ILE 119 CB 0.0045 0.0027 -0.0015 2882 ILE 119 CG1 0.0052 0.0023 -0.0005 2883 ILE 119 CG2 0.0034 0.0022 -0.0016 2884 ILE 119 CD1 0.0051 0.0018 0.0002 2885 ILE 119 H 0.0049 0.0030 -0.0017 2886 ILE 119 HA 0.0044 0.0037 -0.0030 2887 ILE 119 HB 0.0047 0.0029 -0.0017 2888 ILE 119 HG13 0.0060 0.0027 -0.0005 2889 ILE 119 HG12 0.0049 0.0020 -0.0002 2890 ILE 119 HG21 0.0032 0.0018 -0.0012 2891 ILE 119 HG22 0.0029 0.0025 -0.0023 2892 ILE 119 HG23 0.0031 0.0019 -0.0013 2893 ILE 119 HD11 0.0058 0.0017 0.0008 2894 ILE 119 HD12 0.0051 0.0020 -0.0002 2895 ILE 119 HD13 0.0044 0.0013 0.0004 2896 LEU 120 N 0.0089 0.0028 -0.0004 2897 LEU 120 CA 0.0086 0.0026 -0.0005 2898 LEU 120 C 0.0088 0.0034 -0.0004 2899 LEU 120 O 0.0094 0.0039 -0.0002 2900 LEU 120 CB 0.0092 0.0019 -0.0004 2901 LEU 120 CG 0.0090 0.0010 -0.0005 2902 LEU 120 CD1 0.0096 0.0004 -0.0005 2903 LEU 120 CD2 0.0081 0.0008 -0.0007 2904 LEU 120 H 0.0095 0.0028 -0.0003 2905 LEU 120 HA 0.0080 0.0025 -0.0006 2906 LEU 120 HB3 0.0090 0.0018 -0.0004 2907 LEU 120 HB2 0.0098 0.0021 -0.0003 2908 LEU 120 HG 0.0092 0.0011 -0.0005 2909 LEU 120 HD11 0.0100 0.0000 -0.0004 2910 LEU 120 HD12 0.0101 0.0006 -0.0004 2911 LEU 120 HD13 0.0093 -0.0001 -0.0006 2912 LEU 120 HD21 0.0080 0.0001 -0.0008 2913 LEU 120 HD22 0.0078 0.0011 -0.0007 2914 LEU 120 HD23 0.0078 0.0009 -0.0007 2915 VAL 121 N 0.0083 0.0036 -0.0004 2916 VAL 121 CA 0.0084 0.0042 -0.0004 2917 VAL 121 C 0.0082 0.0039 -0.0004 2918 VAL 121 O 0.0077 0.0033 -0.0006 2919 VAL 121 CB 0.0079 0.0050 -0.0004 2920 VAL 121 CG1 0.0082 0.0055 -0.0003 2921 VAL 121 CG2 0.0070 0.0049 -0.0006 2922 VAL 121 H 0.0078 0.0032 -0.0006 2923 VAL 121 HA 0.0091 0.0044 -0.0002 2924 VAL 121 HB 0.0080 0.0055 -0.0003 2925 VAL 121 HG11 0.0079 0.0061 -0.0003 2926 VAL 121 HG12 0.0088 0.0056 -0.0002 2927 VAL 121 HG13 0.0080 0.0051 -0.0004 2928 VAL 121 HG21 0.0066 0.0055 -0.0006 2929 VAL 121 HG22 0.0068 0.0044 -0.0006 2930 VAL 121 HG23 0.0067 0.0047 -0.0006 2931 LEU 122 N 0.0061 0.0036 -0.0000 2932 LEU 122 CA 0.0059 0.0031 -0.0002 2933 LEU 122 C 0.0057 0.0033 -0.0006 2934 LEU 122 O 0.0057 0.0037 -0.0005 2935 LEU 122 CB 0.0062 0.0029 0.0002 2936 LEU 122 CG 0.0065 0.0027 0.0007 2937 LEU 122 CD1 0.0067 0.0025 0.0011 2938 LEU 122 CD2 0.0064 0.0022 0.0006 2939 LEU 122 H 0.0062 0.0039 0.0002 2940 LEU 122 HA 0.0058 0.0028 -0.0003 2941 LEU 122 HB3 0.0061 0.0026 0.0001 2942 LEU 122 HB2 0.0063 0.0032 0.0003 2943 LEU 122 HG 0.0066 0.0030 0.0008 2944 LEU 122 HD11 0.0070 0.0026 0.0014 2945 LEU 122 HD12 0.0067 0.0027 0.0010 2946 LEU 122 HD13 0.0067 0.0021 0.0011 2947 LEU 122 HD21 0.0066 0.0020 0.0009 2948 LEU 122 HD22 0.0062 0.0019 0.0004 2949 LEU 122 HD23 0.0062 0.0024 0.0003 2950 ARG 123 N 0.0054 0.0030 -0.0010 2951 ARG 123 CA 0.0051 0.0031 -0.0014 2952 ARG 123 C 0.0051 0.0025 -0.0014 2953 ARG 123 O 0.0051 0.0021 -0.0013 2954 ARG 123 CB 0.0048 0.0032 -0.0018 2955 ARG 123 CG 0.0045 0.0032 -0.0022 2956 ARG 123 CD 0.0042 0.0035 -0.0027 2957 ARG 123 NE 0.0043 0.0041 -0.0026 2958 ARG 123 CZ 0.0044 0.0045 -0.0025 2959 ARG 123 NH1 0.0044 0.0045 -0.0024 2960 ARG 123 NH2 0.0045 0.0050 -0.0024 2961 ARG 123 H 0.0053 0.0027 -0.0010 2962 ARG 123 HA 0.0052 0.0034 -0.0013 2963 ARG 123 HB3 0.0047 0.0029 -0.0019 2964 ARG 123 HB2 0.0048 0.0036 -0.0018 2965 ARG 123 HG3 0.0046 0.0033 -0.0021 2966 ARG 123 HG2 0.0044 0.0028 -0.0023 2967 ARG 123 HD3 0.0041 0.0036 -0.0029 2968 ARG 123 HD2 0.0041 0.0033 -0.0028 2969 ARG 123 HH22 0.0046 0.0054 -0.0023 2970 ARG 123 HH21 0.0045 0.0050 -0.0024 2971 ARG 123 HH12 0.0045 0.0049 -0.0024 2972 ARG 123 HH11 0.0044 0.0042 -0.0025 2973 ARG 123 HE 0.0043 0.0041 -0.0026 2974 ARG 124 N 0.0037 0.0035 -0.0007 2975 ARG 124 CA 0.0040 0.0019 -0.0009 2976 ARG 124 C 0.0027 0.0004 -0.0026 2977 ARG 124 O 0.0011 0.0012 -0.0037 2978 ARG 124 CB 0.0040 0.0032 -0.0006 2979 ARG 124 CG 0.0053 0.0047 0.0011 2980 ARG 124 CD 0.0053 0.0060 0.0014 2981 ARG 124 NE 0.0064 0.0077 0.0029 2982 ARG 124 CZ 0.0082 0.0074 0.0043 2983 ARG 124 NH1 0.0092 0.0054 0.0046 2984 ARG 124 NH2 0.0089 0.0092 0.0055 2985 ARG 124 H 0.0034 0.0052 -0.0006 2986 ARG 124 HA 0.0053 0.0009 -0.0001 2987 ARG 124 HB3 0.0042 0.0020 -0.0008 2988 ARG 124 HB2 0.0027 0.0042 -0.0015 2989 ARG 124 HG3 0.0053 0.0058 0.0014 2990 ARG 124 HG2 0.0066 0.0035 0.0018 2991 ARG 124 HD3 0.0058 0.0049 0.0015 2992 ARG 124 HD2 0.0040 0.0067 0.0004 2993 ARG 124 HH22 0.0102 0.0092 0.0066 2994 ARG 124 HH21 0.0081 0.0108 0.0052 2995 ARG 124 HH12 0.0105 0.0051 0.0057 2996 ARG 124 HH11 0.0086 0.0040 0.0037 2997 ARG 124 HE 0.0057 0.0093 0.0027 2998 GLU 125 N 0.0033 -0.0018 -0.0027 2999 GLU 125 CA 0.0022 -0.0035 -0.0041 3000 GLU 125 C 0.0031 -0.0053 -0.0038 3001 GLU 125 O 0.0045 -0.0065 -0.0029 3002 GLU 125 CB 0.0019 -0.0045 -0.0046 3003 GLU 125 CG 0.0009 -0.0064 -0.0060 3004 GLU 125 CD 0.0005 -0.0071 -0.0067 3005 GLU 125 OE1 -0.0005 -0.0058 -0.0072 3006 GLU 125 OE2 0.0011 -0.0091 -0.0067 3007 GLU 125 H 0.0046 -0.0024 -0.0017 3008 GLU 125 HA 0.0009 -0.0028 -0.0050 3009 GLU 125 HB3 0.0032 -0.0050 -0.0036 3010 GLU 125 HB2 0.0013 -0.0031 -0.0048 3011 GLU 125 HG3 -0.0003 -0.0060 -0.0070 3012 GLU 125 HG2 0.0017 -0.0079 -0.0058 3013 PRO 126 N 0.0040 -0.0067 -0.0070 3014 PRO 126 CA 0.0023 -0.0053 -0.0080 3015 PRO 126 C 0.0020 -0.0026 -0.0062 3016 PRO 126 O 0.0034 -0.0022 -0.0041 3017 PRO 126 CB 0.0028 -0.0071 -0.0088 3018 PRO 126 CG 0.0052 -0.0087 -0.0072 3019 PRO 126 CD 0.0057 -0.0090 -0.0068 3020 PRO 126 HA 0.0009 -0.0050 -0.0096 3021 PRO 126 HB3 0.0022 -0.0084 -0.0107 3022 PRO 126 HB2 0.0023 -0.0062 -0.0088 3023 PRO 126 HG3 0.0057 -0.0105 -0.0079 3024 PRO 126 HG2 0.0058 -0.0076 -0.0055 3025 PRO 126 HD2 0.0072 -0.0092 -0.0050 3026 PRO 126 HD3 0.0056 -0.0107 -0.0081 3027 PRO 127 N 0.0003 -0.0010 -0.0071 3028 PRO 127 CA -0.0000 0.0014 -0.0056 3029 PRO 127 C 0.0018 0.0011 -0.0036 3030 PRO 127 O 0.0027 -0.0008 -0.0039 3031 PRO 127 CB -0.0020 0.0023 -0.0073 3032 PRO 127 CG -0.0031 0.0012 -0.0097 3033 PRO 127 CD -0.0014 -0.0014 -0.0097 3034 PRO 127 HA -0.0003 0.0028 -0.0048 3035 PRO 127 HB3 -0.0028 0.0044 -0.0067 3036 PRO 127 HB2 -0.0016 0.0016 -0.0075 3037 PRO 127 HG3 -0.0039 0.0024 -0.0097 3038 PRO 127 HG2 -0.0043 0.0011 -0.0112 3039 PRO 127 HD2 -0.0011 -0.0028 -0.0103 3040 PRO 127 HD3 -0.0019 -0.0020 -0.0108 3041 HIS 128 N 0.0026 0.0041 -0.0014 3042 HIS 128 CA 0.0041 0.0045 0.0005 3043 HIS 128 C 0.0062 0.0026 0.0015 3044 HIS 128 O 0.0075 0.0029 0.0031 3045 HIS 128 CB 0.0037 0.0046 0.0001 3046 HIS 128 CG 0.0016 0.0061 -0.0012 3047 HIS 128 ND1 0.0005 0.0082 -0.0010 3048 HIS 128 CD2 0.0005 0.0057 -0.0027 3049 HIS 128 CE1 -0.0013 0.0090 -0.0024 3050 HIS 128 NE2 -0.0014 0.0075 -0.0035 3051 HIS 128 H 0.0018 0.0055 -0.0013 3052 HIS 128 HA 0.0040 0.0062 0.0015 3053 HIS 128 HB3 0.0046 0.0054 0.0016 3054 HIS 128 HB2 0.0041 0.0028 -0.0006 3055 HIS 128 HD1 0.0008 0.0091 -0.0001 3056 HIS 128 HD2 0.0008 0.0042 -0.0033 3057 HIS 128 HE1 -0.0024 0.0106 -0.0027 3058 SER 129 N 0.0064 0.0009 0.0007 3059 SER 129 CA 0.0083 -0.0008 0.0016 3060 SER 129 C 0.0095 0.0004 0.0037 3061 SER 129 O 0.0089 0.0017 0.0039 3062 SER 129 CB 0.0081 -0.0026 0.0002 3063 SER 129 OG 0.0099 -0.0043 0.0011 3064 SER 129 H 0.0052 0.0008 -0.0007 3065 SER 129 HA 0.0089 -0.0019 0.0016 3066 SER 129 HB3 0.0073 -0.0017 -0.0001 3067 SER 129 HB2 0.0073 -0.0036 -0.0013 3068 SER 129 HG 0.0098 -0.0055 0.0001 3069 PRO 130 N 0.0091 -0.0011 0.0056 3070 PRO 130 CA 0.0085 -0.0009 0.0069 3071 PRO 130 C 0.0079 -0.0004 0.0062 3072 PRO 130 O 0.0069 0.0003 0.0070 3073 PRO 130 CB 0.0097 -0.0019 0.0080 3074 PRO 130 CG 0.0106 -0.0026 0.0077 3075 PRO 130 CD 0.0105 -0.0022 0.0058 3076 PRO 130 HA 0.0077 -0.0004 0.0077 3077 PRO 130 HB3 0.0093 -0.0019 0.0094 3078 PRO 130 HB2 0.0102 -0.0023 0.0076 3079 PRO 130 HG3 0.0103 -0.0024 0.0085 3080 PRO 130 HG2 0.0117 -0.0034 0.0080 3081 PRO 130 HD2 0.0112 -0.0026 0.0050 3082 PRO 130 HD3 0.0107 -0.0024 0.0056 3083 ASN 131 N 0.0086 -0.0007 0.0049 3084 ASN 131 CA 0.0085 -0.0006 0.0045 3085 ASN 131 C 0.0083 -0.0002 0.0026 3086 ASN 131 O 0.0084 -0.0002 0.0021 3087 ASN 131 CB 0.0098 -0.0016 0.0051 3088 ASN 131 CG 0.0112 -0.0025 0.0040 3089 ASN 131 OD1 0.0113 -0.0025 0.0032 3090 ASN 131 ND2 0.0122 -0.0033 0.0040 3091 ASN 131 H 0.0094 -0.0012 0.0042 3092 ASN 131 HA 0.0076 0.0000 0.0052 3093 ASN 131 HB3 0.0100 -0.0019 0.0064 3094 ASN 131 HB2 0.0097 -0.0015 0.0050 3095 ASN 131 HD22 0.0131 -0.0039 0.0033 3096 ASN 131 HD21 0.0121 -0.0033 0.0047 3097 SER 132 N 0.0055 -0.0029 0.0011 3098 SER 132 CA 0.0050 -0.0035 0.0004 3099 SER 132 C 0.0043 -0.0023 -0.0002 3100 SER 132 O 0.0037 -0.0014 -0.0008 3101 SER 132 CB 0.0045 -0.0049 -0.0005 3102 SER 132 OG 0.0037 -0.0045 -0.0014 3103 SER 132 H 0.0051 -0.0023 0.0007 3104 SER 132 HA 0.0056 -0.0040 0.0009 3105 SER 132 HB3 0.0051 -0.0057 0.0000 3106 SER 132 HB2 0.0043 -0.0054 -0.0009 3107 SER 132 HG 0.0032 -0.0041 -0.0020 3108 PHE 133 N 0.0045 -0.0021 -0.0000 3109 PHE 133 CA 0.0039 -0.0008 -0.0004 3110 PHE 133 C 0.0035 -0.0015 -0.0010 3111 PHE 133 O 0.0039 -0.0027 -0.0008 3112 PHE 133 CB 0.0046 0.0003 0.0007 3113 PHE 133 CG 0.0051 0.0010 0.0014 3114 PHE 133 CD1 0.0059 0.0002 0.0022 3115 PHE 133 CD2 0.0047 0.0024 0.0012 3116 PHE 133 CE1 0.0063 0.0009 0.0029 3117 PHE 133 CE2 0.0051 0.0031 0.0018 3118 PHE 133 CZ 0.0059 0.0023 0.0027 3119 PHE 133 H 0.0050 -0.0028 0.0005 3120 PHE 133 HA 0.0033 -0.0003 -0.0010 3121 PHE 133 HB3 0.0043 0.0011 0.0004 3122 PHE 133 HB2 0.0052 -0.0003 0.0013 3123 PHE 133 HD1 0.0063 -0.0009 0.0024 3124 PHE 133 HD2 0.0040 0.0030 0.0005 3125 PHE 133 HE1 0.0070 0.0003 0.0035 3126 PHE 133 HE2 0.0048 0.0042 0.0017 3127 PHE 133 HZ 0.0063 0.0028 0.0032 3128 ARG 134 N 0.0031 -0.0024 -0.0025 3129 ARG 134 CA 0.0034 -0.0026 -0.0020 3130 ARG 134 C 0.0045 -0.0013 -0.0018 3131 ARG 134 O 0.0047 -0.0002 -0.0025 3132 ARG 134 CB 0.0024 -0.0029 -0.0029 3133 ARG 134 CG 0.0026 -0.0033 -0.0024 3134 ARG 134 CD 0.0017 -0.0033 -0.0033 3135 ARG 134 NE 0.0005 -0.0044 -0.0038 3136 ARG 134 CZ -0.0001 -0.0056 -0.0035 3137 ARG 134 NH1 0.0004 -0.0060 -0.0027 3138 ARG 134 NH2 -0.0012 -0.0064 -0.0041 3139 ARG 134 H 0.0031 -0.0015 -0.0032 3140 ARG 134 HA 0.0037 -0.0035 -0.0011 3141 ARG 134 HB3 0.0022 -0.0020 -0.0038 3142 ARG 134 HB2 0.0016 -0.0038 -0.0031 3143 ARG 134 HG3 0.0026 -0.0043 -0.0016 3144 ARG 134 HG2 0.0035 -0.0027 -0.0019 3145 ARG 134 HD3 0.0020 -0.0032 -0.0031 3146 ARG 134 HD2 0.0016 -0.0024 -0.0042 3147 ARG 134 HH22 -0.0018 -0.0071 -0.0043 3148 ARG 134 HH21 -0.0014 -0.0062 -0.0045 3149 ARG 134 HH12 -0.0000 -0.0068 -0.0026 3150 ARG 134 HH11 0.0013 -0.0053 -0.0022 3151 ARG 134 HE 0.0001 -0.0042 -0.0044 3152 LEU 135 N 0.0053 -0.0015 -0.0008 3153 LEU 135 CA 0.0062 -0.0003 -0.0007 3154 LEU 135 C 0.0057 0.0003 -0.0017 3155 LEU 135 O 0.0051 -0.0005 -0.0019 3156 LEU 135 CB 0.0070 -0.0009 0.0006 3157 LEU 135 CG 0.0079 -0.0012 0.0017 3158 LEU 135 CD1 0.0084 -0.0020 0.0029 3159 LEU 135 CD2 0.0089 0.0001 0.0019 3160 LEU 135 H 0.0051 -0.0025 -0.0003 3161 LEU 135 HA 0.0067 0.0004 -0.0007 3162 LEU 135 HB3 0.0076 -0.0001 0.0006 3163 LEU 135 HB2 0.0065 -0.0018 0.0007 3164 LEU 135 HG 0.0073 -0.0019 0.0017 3165 LEU 135 HD11 0.0087 -0.0026 0.0037 3166 LEU 135 HD12 0.0077 -0.0028 0.0028 3167 LEU 135 HD13 0.0091 -0.0014 0.0032 3168 LEU 135 HD21 0.0090 -0.0001 0.0021 3169 LEU 135 HD22 0.0097 0.0004 0.0025 3170 LEU 135 HD23 0.0087 0.0010 0.0010 3171 GLU 136 N 0.0080 0.0022 -0.0021 3172 GLU 136 CA 0.0072 0.0027 -0.0025 3173 GLU 136 CA 0.0073 0.0026 -0.0024 3174 GLU 136 C 0.0075 0.0031 -0.0022 3175 GLU 136 O 0.0082 0.0036 -0.0017 3176 GLU 136 CB 0.0067 0.0035 -0.0027 3177 GLU 136 CB 0.0071 0.0034 -0.0025 3178 GLU 136 CG 0.0062 0.0030 -0.0031 3179 GLU 136 CG 0.0063 0.0041 -0.0029 3180 GLU 136 CD 0.0055 0.0037 -0.0034 3181 GLU 136 CD 0.0060 0.0048 -0.0029 3182 GLU 136 OE1 0.0055 0.0047 -0.0032 3183 GLU 136 OE1 0.0056 0.0044 -0.0033 3184 GLU 136 OE2 0.0050 0.0034 -0.0038 3185 GLU 136 OE2 0.0062 0.0056 -0.0026 3186 GLU 136 H 0.0084 0.0027 -0.0017 3187 GLU 136 HA 0.0068 0.0021 -0.0029 3188 GLU 136 HA 0.0069 0.0021 -0.0028 3189 GLU 136 HB3 0.0062 0.0039 -0.0029 3190 GLU 136 HB3 0.0076 0.0039 -0.0020 3191 GLU 136 HB2 0.0071 0.0040 -0.0023 3192 GLU 136 HB2 0.0070 0.0031 -0.0026 3193 GLU 136 HG3 0.0067 0.0028 -0.0028 3194 GLU 136 HG3 0.0058 0.0036 -0.0033 3195 GLU 136 HG2 0.0060 0.0024 -0.0034 3196 GLU 136 HG2 0.0064 0.0045 -0.0027 3197 LYS 137 N 0.0071 0.0030 -0.0025 3198 LYS 137 CA 0.0072 0.0036 -0.0023 3199 LYS 137 C 0.0066 0.0045 -0.0026 3200 LYS 137 O 0.0059 0.0045 -0.0031 3201 LYS 137 CB 0.0071 0.0029 -0.0026 3202 LYS 137 CG 0.0072 0.0035 -0.0023 3203 LYS 137 CD 0.0068 0.0031 -0.0027 3204 LYS 137 CE 0.0072 0.0021 -0.0026 3205 LYS 137 NZ 0.0069 0.0020 -0.0029 3206 LYS 137 H 0.0066 0.0027 -0.0029 3207 LYS 137 HA 0.0079 0.0038 -0.0019 3208 LYS 137 HB3 0.0064 0.0028 -0.0030 3209 LYS 137 HB2 0.0074 0.0022 -0.0024 3210 LYS 137 HG3 0.0079 0.0034 -0.0019 3211 LYS 137 HG2 0.0070 0.0042 -0.0023 3212 LYS 137 HD3 0.0067 0.0037 -0.0026 3213 LYS 137 HD2 0.0061 0.0029 -0.0032 3214 LYS 137 HE3 0.0071 0.0015 -0.0028 3215 LYS 137 HE2 0.0079 0.0022 -0.0022 3216 LYS 137 HZ1 0.0070 0.0026 -0.0026 3217 LYS 137 HZ2 0.0071 0.0014 -0.0028 3218 LYS 137 HZ3 0.0062 0.0020 -0.0033 3219 ILE 138 N 0.0071 0.0046 -0.0027 3220 ILE 138 CA 0.0065 0.0046 -0.0021 3221 ILE 138 C 0.0060 0.0042 -0.0023 3222 ILE 138 O 0.0062 0.0040 -0.0029 3223 ILE 138 CB 0.0068 0.0051 -0.0014 3224 ILE 138 CG1 0.0072 0.0053 -0.0016 3225 ILE 138 CG2 0.0072 0.0055 -0.0010 3226 ILE 138 CD1 0.0074 0.0057 -0.0009 3227 ILE 138 H 0.0073 0.0046 -0.0030 3228 ILE 138 HA 0.0062 0.0045 -0.0019 3229 ILE 138 HB 0.0063 0.0050 -0.0010 3230 ILE 138 HG13 0.0070 0.0050 -0.0019 3231 ILE 138 HG12 0.0077 0.0054 -0.0020 3232 ILE 138 HG21 0.0073 0.0059 -0.0005 3233 ILE 138 HG22 0.0068 0.0054 -0.0009 3234 ILE 138 HG23 0.0077 0.0056 -0.0014 3235 ILE 138 HD11 0.0075 0.0057 -0.0010 3236 ILE 138 HD12 0.0069 0.0057 -0.0004 3237 ILE 138 HD13 0.0079 0.0061 -0.0008 3238 LEU 139 N 0.0053 0.0040 -0.0019 3239 LEU 139 CA 0.0049 0.0037 -0.0019 3240 LEU 139 C 0.0050 0.0040 -0.0014 3241 LEU 139 O 0.0051 0.0044 -0.0008 3242 LEU 139 CB 0.0041 0.0033 -0.0017 3243 LEU 139 CG 0.0039 0.0028 -0.0024 3244 LEU 139 CD1 0.0031 0.0026 -0.0021 3245 LEU 139 CD2 0.0038 0.0025 -0.0030 3246 LEU 139 H 0.0052 0.0042 -0.0014 3247 LEU 139 HA 0.0050 0.0035 -0.0025 3248 LEU 139 HB3 0.0037 0.0032 -0.0016 3249 LEU 139 HB2 0.0040 0.0035 -0.0012 3250 LEU 139 HG 0.0043 0.0030 -0.0026 3251 LEU 139 HD11 0.0030 0.0023 -0.0025 3252 LEU 139 HD12 0.0031 0.0028 -0.0016 3253 LEU 139 HD13 0.0027 0.0024 -0.0019 3254 LEU 139 HD21 0.0035 0.0021 -0.0034 3255 LEU 139 HD22 0.0037 0.0025 -0.0029 3256 LEU 139 HD23 0.0044 0.0026 -0.0034 3257 VAL 140 N 0.0029 0.0006 -0.0006 3258 VAL 140 CA 0.0023 -0.0006 -0.0001 3259 VAL 140 C 0.0012 -0.0010 -0.0002 3260 VAL 140 O 0.0003 -0.0004 -0.0008 3261 VAL 140 CB 0.0019 -0.0007 -0.0002 3262 VAL 140 CG1 0.0012 -0.0019 0.0003 3263 VAL 140 CG2 0.0030 -0.0003 -0.0001 3264 VAL 140 H 0.0022 0.0011 -0.0011 3265 VAL 140 HA 0.0030 -0.0012 0.0005 3266 VAL 140 HB 0.0011 -0.0001 -0.0008 3267 VAL 140 HG11 0.0009 -0.0019 0.0003 3268 VAL 140 HG12 0.0003 -0.0022 0.0002 3269 VAL 140 HG13 0.0018 -0.0026 0.0009 3270 VAL 140 HG21 0.0026 -0.0004 -0.0001 3271 VAL 140 HG22 0.0038 -0.0008 0.0005 3272 VAL 140 HG23 0.0034 0.0006 -0.0005 3273 SER 141 N 0.0011 -0.0020 0.0004 3274 SER 141 CA 0.0000 -0.0027 0.0004 3275 SER 141 CA 0.0000 -0.0026 0.0004 3276 SER 141 C -0.0010 -0.0032 0.0004 3277 SER 141 O -0.0008 -0.0039 0.0009 3278 SER 141 CB 0.0005 -0.0036 0.0011 3279 SER 141 CB 0.0004 -0.0036 0.0011 3280 SER 141 OG -0.0005 -0.0043 0.0012 3281 SER 141 OG 0.0014 -0.0031 0.0011 3282 SER 141 H 0.0019 -0.0025 0.0009 3283 SER 141 HA -0.0004 -0.0020 -0.0001 3284 SER 141 HA -0.0003 -0.0019 -0.0001 3285 SER 141 HB3 0.0010 -0.0042 0.0016 3286 SER 141 HB3 -0.0005 -0.0039 0.0010 3287 SER 141 HB2 0.0012 -0.0031 0.0011 3288 SER 141 HB2 0.0007 -0.0043 0.0016 3289 SER 141 HG -0.0003 -0.0051 0.0017 3290 SER 141 HG 0.0016 -0.0037 0.0015 3291 VAL 142 N -0.0032 -0.0024 -0.0004 3292 VAL 142 CA -0.0040 -0.0027 -0.0002 3293 VAL 142 C -0.0046 -0.0031 -0.0000 3294 VAL 142 O -0.0051 -0.0036 0.0002 3295 VAL 142 CB -0.0045 -0.0020 -0.0005 3296 VAL 142 CG1 -0.0040 -0.0017 -0.0006 3297 VAL 142 CG2 -0.0048 -0.0013 -0.0007 3298 VAL 142 H -0.0033 -0.0019 -0.0006 3299 VAL 142 HA -0.0038 -0.0032 -0.0001 3300 VAL 142 HB -0.0051 -0.0023 -0.0003 3301 VAL 142 HG11 -0.0043 -0.0012 -0.0008 3302 VAL 142 HG12 -0.0038 -0.0022 -0.0005 3303 VAL 142 HG13 -0.0034 -0.0014 -0.0008 3304 VAL 142 HG21 -0.0052 -0.0009 -0.0009 3305 VAL 142 HG22 -0.0043 -0.0010 -0.0009 3306 VAL 142 HG23 -0.0052 -0.0015 -0.0006 3307 GLY 143 N -0.0045 -0.0029 -0.0001 3308 GLY 143 CA -0.0050 -0.0032 0.0000 3309 GLY 143 C -0.0047 -0.0029 -0.0001 3310 GLY 143 O -0.0042 -0.0024 -0.0003 3311 GLY 143 H -0.0041 -0.0025 -0.0003 3312 GLY 143 HA3 -0.0057 -0.0031 0.0000 3313 GLY 143 HA2 -0.0049 -0.0039 0.0003 3314 CYS 144 N -0.0021 -0.0016 0.0020 3315 CYS 144 CA -0.0018 -0.0015 0.0021 3316 CYS 144 C -0.0023 -0.0013 0.0020 3317 CYS 144 O -0.0028 -0.0015 0.0019 3318 CYS 144 CB -0.0015 -0.0021 0.0022 3319 CYS 144 SG -0.0009 -0.0022 0.0024 3320 CYS 144 H -0.0025 -0.0019 0.0020 3321 CYS 144 HA -0.0015 -0.0011 0.0021 3322 CYS 144 HB3 -0.0013 -0.0020 0.0023 3323 CYS 144 HB2 -0.0018 -0.0025 0.0022 3324 THR 145 N -0.0021 -0.0010 0.0020 3325 THR 145 CA -0.0024 -0.0008 0.0019 3326 THR 145 C -0.0021 -0.0010 0.0020 3327 THR 145 O -0.0015 -0.0011 0.0021 3328 THR 145 CB -0.0026 -0.0002 0.0018 3329 THR 145 OG1 -0.0030 0.0000 0.0017 3330 THR 145 CG2 -0.0020 0.0003 0.0018 3331 THR 145 H -0.0017 -0.0009 0.0020 3332 THR 145 HA -0.0029 -0.0011 0.0018 3333 THR 145 HB -0.0028 -0.0001 0.0017 3334 THR 145 HG1 -0.0034 -0.0000 0.0016 3335 THR 145 HG21 -0.0022 0.0007 0.0017 3336 THR 145 HG22 -0.0017 0.0002 0.0019 3337 THR 145 HG23 -0.0018 0.0002 0.0019 3338 CYS 146 N 0.0003 -0.0002 0.0043 3339 CYS 146 CA 0.0007 0.0007 0.0037 3340 CYS 146 C 0.0008 0.0018 0.0036 3341 CYS 146 O 0.0003 0.0023 0.0043 3342 CYS 146 CB 0.0003 0.0010 0.0043 3343 CYS 146 SG 0.0007 0.0022 0.0037 3344 CYS 146 H -0.0002 -0.0000 0.0050 3345 CYS 146 HA 0.0011 0.0003 0.0030 3346 CYS 146 HB3 -0.0001 0.0014 0.0051 3347 CYS 146 HB2 0.0002 0.0003 0.0044 3348 VAL 147 N 0.0014 0.0021 0.0026 3349 VAL 147 CA 0.0016 0.0030 0.0023 3350 VAL 147 C 0.0021 0.0039 0.0016 3351 VAL 147 O 0.0024 0.0036 0.0011 3352 VAL 147 CB 0.0019 0.0025 0.0017 3353 VAL 147 CG1 0.0015 0.0017 0.0024 3354 VAL 147 CG2 0.0025 0.0019 0.0007 3355 VAL 147 H 0.0017 0.0016 0.0020 3356 VAL 147 HA 0.0012 0.0035 0.0030 3357 VAL 147 HB 0.0021 0.0033 0.0016 3358 VAL 147 HG11 0.0017 0.0014 0.0020 3359 VAL 147 HG12 0.0011 0.0022 0.0031 3360 VAL 147 HG13 0.0013 0.0010 0.0027 3361 VAL 147 HG21 0.0027 0.0015 0.0004 3362 VAL 147 HG22 0.0024 0.0011 0.0008 3363 VAL 147 HG23 0.0029 0.0025 0.0002 3364 THR 148 N 0.0063 0.0096 -0.0000 3365 THR 148 CA 0.0051 0.0098 -0.0005 3366 THR 148 C 0.0054 0.0095 -0.0010 3367 THR 148 O 0.0063 0.0091 -0.0016 3368 THR 148 CB 0.0045 0.0096 -0.0015 3369 THR 148 OG1 0.0053 0.0091 -0.0025 3370 THR 148 CG2 0.0043 0.0099 -0.0010 3371 THR 148 H 0.0066 0.0093 -0.0006 3372 THR 148 HA 0.0046 0.0102 0.0003 3373 THR 148 HB 0.0037 0.0098 -0.0018 3374 THR 148 HG1 0.0051 0.0090 -0.0030 3375 THR 148 HG21 0.0038 0.0098 -0.0017 3376 THR 148 HG22 0.0037 0.0103 -0.0003 3377 THR 148 HG23 0.0051 0.0097 -0.0007 3378 PRO 149 N 0.0046 0.0098 -0.0008 3379 PRO 149 CA 0.0047 0.0096 -0.0013 3380 PRO 149 C 0.0045 0.0093 -0.0027 3381 PRO 149 O 0.0039 0.0093 -0.0032 3382 PRO 149 CB 0.0038 0.0101 -0.0007 3383 PRO 149 CG 0.0028 0.0105 -0.0004 3384 PRO 149 CD 0.0036 0.0103 -0.0001 3385 PRO 149 HA 0.0056 0.0094 -0.0010 3386 PRO 149 HB3 0.0042 0.0102 0.0002 3387 PRO 149 HB2 0.0034 0.0100 -0.0012 3388 PRO 149 HG3 0.0023 0.0108 0.0004 3389 PRO 149 HG2 0.0022 0.0104 -0.0012 3390 PRO 149 HD2 0.0030 0.0105 -0.0002 3391 PRO 149 HD3 0.0039 0.0105 0.0009 3392 ILE 150 N 0.0028 0.0103 0.0036 3393 ILE 150 CA 0.0034 0.0140 -0.0079 3394 ILE 150 C -0.0012 0.0104 0.0001 3395 ILE 150 O 0.0078 0.0095 0.0102 3396 ILE 150 CB 0.0201 0.0200 -0.0137 3397 ILE 150 CG1 0.0254 0.0239 -0.0222 3398 ILE 150 CG2 0.0216 0.0236 -0.0243 3399 ILE 150 CD1 0.0427 0.0294 -0.0255 3400 ILE 150 H 0.0106 0.0095 0.0128 3401 ILE 150 HA -0.0048 0.0150 -0.0179 3402 ILE 150 HB 0.0283 0.0190 -0.0036 3403 ILE 150 HG13 0.0231 0.0213 -0.0154 3404 ILE 150 HG12 0.0182 0.0255 -0.0330 3405 ILE 150 HG21 0.0334 0.0278 -0.0279 3406 ILE 150 HG22 0.0190 0.0212 -0.0185 3407 ILE 150 HG23 0.0137 0.0248 -0.0346 3408 ILE 150 HD11 0.0465 0.0314 -0.0289 3409 ILE 150 HD12 0.0502 0.0282 -0.0154 3410 ILE 150 HD13 0.0449 0.0328 -0.0349 3411 VAL 151 N -0.0153 0.0081 -0.0043 3412 VAL 151 CA -0.0216 0.0046 0.0021 3413 VAL 151 C -0.0192 0.0087 -0.0091 3414 VAL 151 O -0.0221 0.0122 -0.0230 3415 VAL 151 CB -0.0393 -0.0006 0.0042 3416 VAL 151 CG1 -0.0469 -0.0046 0.0110 3417 VAL 151 CG2 -0.0424 -0.0044 0.0143 3418 VAL 151 H -0.0219 0.0091 -0.0130 3419 VAL 151 HA -0.0156 0.0026 0.0134 3420 VAL 151 HB -0.0454 0.0014 -0.0071 3421 VAL 151 HG11 -0.0591 -0.0083 0.0131 3422 VAL 151 HG12 -0.0468 -0.0022 0.0033 3423 VAL 151 HG13 -0.0409 -0.0064 0.0220 3424 VAL 151 HG21 -0.0548 -0.0082 0.0162 3425 VAL 151 HG22 -0.0360 -0.0063 0.0256 3426 VAL 151 HG23 -0.0390 -0.0019 0.0089 3427 HIS 152 N 0.0071 0.0310 0.0187 3428 HIS 152 CA 0.0041 0.0278 0.0209 3429 HIS 152 C 0.0009 0.0307 0.0165 3430 HIS 152 O -0.0006 0.0341 0.0122 3431 HIS 152 CB -0.0007 0.0231 0.0238 3432 HIS 152 CG -0.0063 0.0236 0.0209 3433 HIS 152 ND1 -0.0057 0.0259 0.0188 3434 HIS 152 CD2 -0.0129 0.0221 0.0198 3435 HIS 152 CE1 -0.0116 0.0256 0.0165 3436 HIS 152 NE2 -0.0162 0.0233 0.0171 3437 HIS 152 H 0.0056 0.0340 0.0149 3438 HIS 152 HA 0.0079 0.0269 0.0235 3439 HIS 152 HB3 0.0019 0.0212 0.0270 3440 HIS 152 HB2 -0.0026 0.0208 0.0255 3441 HIS 152 HD1 -0.0016 0.0275 0.0188 3442 HIS 152 HD2 -0.0154 0.0201 0.0208 3443 HIS 152 HE1 -0.0126 0.0271 0.0146 3444 HIS 153 N 0.0001 0.0293 0.0176 3445 HIS 153 CA -0.0025 0.0318 0.0138 3446 HIS 153 C -0.0099 0.0302 0.0124 3447 HIS 153 O -0.0136 0.0305 0.0105 3448 HIS 153 CB 0.0000 0.0307 0.0161 3449 HIS 153 CG -0.0005 0.0339 0.0124 3450 HIS 153 ND1 -0.0063 0.0340 0.0099 3451 HIS 153 CD2 0.0042 0.0372 0.0109 3452 HIS 153 CE1 -0.0050 0.0372 0.0070 3453 HIS 153 NE2 0.0013 0.0393 0.0075 3454 HIS 153 H 0.0016 0.0265 0.0212 3455 HIS 153 HA -0.0008 0.0356 0.0105 3456 HIS 153 HXT -0.0118 0.0287 0.0132 3457 HIS 153 HB3 -0.0023 0.0270 0.0190 3458 HIS 153 HB2 0.0052 0.0309 0.0180 3459 HIS 153 HD1 -0.0107 0.0322 0.0100 3460 HIS 153 HD2 0.0094 0.0382 0.0120 3461 HIS 153 HE1 -0.0086 0.0380 0.0046