1 PRO 42 N 0.0031 -0.0032 0.0056 2 PRO 42 CA 0.0034 -0.0037 0.0056 3 PRO 42 C 0.0039 -0.0042 0.0056 4 PRO 42 O 0.0038 -0.0044 0.0056 5 PRO 42 CB 0.0028 -0.0041 0.0056 6 PRO 42 CG 0.0023 -0.0041 0.0057 7 PRO 42 CD 0.0024 -0.0034 0.0057 8 PRO 42 H 0.0032 -0.0027 0.0056 9 PRO 42 HA 0.0038 -0.0035 0.0056 10 PRO 42 HB3 0.0026 -0.0039 0.0057 11 PRO 42 HB2 0.0030 -0.0047 0.0057 12 PRO 42 HG3 0.0017 -0.0042 0.0057 13 PRO 42 HG2 0.0024 -0.0045 0.0057 14 PRO 42 HD2 0.0023 -0.0034 0.0057 15 PRO 42 HD3 0.0020 -0.0030 0.0057 16 ARG 43 N 0.0045 -0.0044 0.0055 17 ARG 43 CA 0.0051 -0.0049 0.0055 18 ARG 43 C 0.0048 -0.0056 0.0056 19 ARG 43 O 0.0049 -0.0058 0.0056 20 ARG 43 CB 0.0057 -0.0049 0.0055 21 ARG 43 CG 0.0063 -0.0053 0.0055 22 ARG 43 CD 0.0070 -0.0055 0.0054 23 ARG 43 NE 0.0068 -0.0061 0.0055 24 ARG 43 CZ 0.0072 -0.0066 0.0054 25 ARG 43 NH1 0.0079 -0.0066 0.0054 26 ARG 43 NH2 0.0070 -0.0071 0.0055 27 ARG 43 H 0.0046 -0.0043 0.0055 28 ARG 43 HA 0.0052 -0.0046 0.0055 29 ARG 43 HB3 0.0056 -0.0052 0.0055 30 ARG 43 HB2 0.0059 -0.0044 0.0055 31 ARG 43 HG3 0.0065 -0.0050 0.0054 32 ARG 43 HG2 0.0061 -0.0058 0.0055 33 ARG 43 HD3 0.0071 -0.0050 0.0054 34 ARG 43 HD2 0.0074 -0.0055 0.0054 35 ARG 43 HH22 0.0073 -0.0075 0.0055 36 ARG 43 HH21 0.0065 -0.0071 0.0055 37 ARG 43 HH12 0.0082 -0.0070 0.0054 38 ARG 43 HH11 0.0081 -0.0062 0.0054 39 ARG 43 HE 0.0063 -0.0061 0.0055 40 THR 44 N 0.0052 -0.0057 0.0061 41 THR 44 CA 0.0051 -0.0060 0.0063 42 THR 44 C 0.0047 -0.0060 0.0063 43 THR 44 O 0.0045 -0.0059 0.0063 44 THR 44 CB 0.0051 -0.0062 0.0064 45 THR 44 OG1 0.0054 -0.0062 0.0063 46 THR 44 CG2 0.0050 -0.0065 0.0065 47 THR 44 H 0.0050 -0.0056 0.0060 48 THR 44 HA 0.0053 -0.0062 0.0063 49 THR 44 HB 0.0049 -0.0061 0.0063 50 THR 44 HG1 0.0056 -0.0063 0.0063 51 THR 44 HG21 0.0050 -0.0066 0.0066 52 THR 44 HG22 0.0048 -0.0066 0.0066 53 THR 44 HG23 0.0052 -0.0067 0.0066 54 VAL 45 N 0.0047 -0.0062 0.0064 55 VAL 45 CA 0.0044 -0.0062 0.0065 56 VAL 45 C 0.0043 -0.0066 0.0067 57 VAL 45 O 0.0046 -0.0067 0.0067 58 VAL 45 CB 0.0044 -0.0061 0.0064 59 VAL 45 CG1 0.0045 -0.0057 0.0062 60 VAL 45 CG2 0.0047 -0.0062 0.0064 61 VAL 45 H 0.0049 -0.0063 0.0064 62 VAL 45 HA 0.0042 -0.0061 0.0065 63 VAL 45 HB 0.0042 -0.0061 0.0064 64 VAL 45 HG11 0.0044 -0.0056 0.0061 65 VAL 45 HG12 0.0043 -0.0056 0.0062 66 VAL 45 HG13 0.0047 -0.0057 0.0061 67 VAL 45 HG21 0.0047 -0.0061 0.0064 68 VAL 45 HG22 0.0049 -0.0062 0.0064 69 VAL 45 HG23 0.0046 -0.0065 0.0066 70 MET 46 N 0.0028 -0.0059 0.0077 71 MET 46 CA 0.0030 -0.0057 0.0080 72 MET 46 C 0.0035 -0.0055 0.0079 73 MET 46 O 0.0036 -0.0055 0.0075 74 MET 46 CB 0.0026 -0.0059 0.0080 75 MET 46 CG 0.0021 -0.0061 0.0083 76 MET 46 SD 0.0018 -0.0063 0.0083 77 MET 46 CE 0.0016 -0.0064 0.0076 78 MET 46 H 0.0028 -0.0059 0.0073 79 MET 46 HA 0.0029 -0.0057 0.0084 80 MET 46 HB3 0.0028 -0.0058 0.0082 81 MET 46 HB2 0.0026 -0.0060 0.0076 82 MET 46 HG3 0.0020 -0.0062 0.0081 83 MET 46 HG2 0.0022 -0.0060 0.0087 84 MET 46 HE1 0.0013 -0.0066 0.0075 85 MET 46 HE2 0.0015 -0.0065 0.0075 86 MET 46 HE3 0.0019 -0.0063 0.0073 87 VAL 47 N 0.0037 -0.0053 0.0083 88 VAL 47 CA 0.0042 -0.0051 0.0082 89 VAL 47 C 0.0042 -0.0051 0.0086 90 VAL 47 O 0.0041 -0.0051 0.0091 91 VAL 47 CB 0.0046 -0.0049 0.0084 92 VAL 47 CG1 0.0051 -0.0047 0.0084 93 VAL 47 CG2 0.0046 -0.0050 0.0080 94 VAL 47 H 0.0036 -0.0054 0.0087 95 VAL 47 HA 0.0043 -0.0051 0.0079 96 VAL 47 HB 0.0045 -0.0049 0.0088 97 VAL 47 HG11 0.0054 -0.0046 0.0084 98 VAL 47 HG12 0.0051 -0.0046 0.0087 99 VAL 47 HG13 0.0052 -0.0047 0.0080 100 VAL 47 HG21 0.0049 -0.0049 0.0081 101 VAL 47 HG22 0.0046 -0.0050 0.0076 102 VAL 47 HG23 0.0043 -0.0051 0.0081 103 ASN 48 N 0.0029 -0.0021 0.0098 104 ASN 48 CA 0.0027 -0.0026 0.0105 105 ASN 48 C 0.0031 -0.0035 0.0105 106 ASN 48 O 0.0032 -0.0037 0.0104 107 ASN 48 CB 0.0022 -0.0023 0.0112 108 ASN 48 CG 0.0020 -0.0026 0.0120 109 ASN 48 OD1 0.0021 -0.0031 0.0121 110 ASN 48 ND2 0.0015 -0.0021 0.0125 111 ASN 48 H 0.0028 -0.0019 0.0099 112 ASN 48 HA 0.0026 -0.0024 0.0105 113 ASN 48 HB3 0.0023 -0.0026 0.0113 114 ASN 48 HB2 0.0020 -0.0017 0.0111 115 ASN 48 HD22 0.0014 -0.0023 0.0130 116 ASN 48 HD21 0.0014 -0.0017 0.0125 117 LEU 49 N 0.0032 -0.0039 0.0104 118 LEU 49 CA 0.0036 -0.0047 0.0103 119 LEU 49 C 0.0035 -0.0053 0.0110 120 LEU 49 O 0.0038 -0.0060 0.0110 121 LEU 49 CB 0.0039 -0.0049 0.0099 122 LEU 49 CG 0.0041 -0.0045 0.0091 123 LEU 49 CD1 0.0044 -0.0048 0.0088 124 LEU 49 CD2 0.0044 -0.0046 0.0086 125 LEU 49 H 0.0031 -0.0036 0.0104 126 LEU 49 HA 0.0038 -0.0048 0.0099 127 LEU 49 HB3 0.0041 -0.0056 0.0099 128 LEU 49 HB2 0.0036 -0.0048 0.0103 129 LEU 49 HG 0.0039 -0.0039 0.0091 130 LEU 49 HD11 0.0047 -0.0048 0.0081 131 LEU 49 HD12 0.0042 -0.0045 0.0089 132 LEU 49 HD13 0.0045 -0.0055 0.0090 133 LEU 49 HD21 0.0047 -0.0045 0.0080 134 LEU 49 HD22 0.0046 -0.0052 0.0087 135 LEU 49 HD23 0.0042 -0.0042 0.0086 136 ASN 50 N 0.0002 -0.0065 0.0110 137 ASN 50 CA -0.0003 -0.0071 0.0116 138 ASN 50 C -0.0003 -0.0067 0.0114 139 ASN 50 O -0.0010 -0.0061 0.0114 140 ASN 50 CB -0.0012 -0.0071 0.0121 141 ASN 50 CG -0.0012 -0.0077 0.0124 142 ASN 50 OD1 -0.0005 -0.0083 0.0124 143 ASN 50 ND2 -0.0019 -0.0076 0.0127 144 ASN 50 H -0.0002 -0.0061 0.0110 145 ASN 50 HA 0.0002 -0.0077 0.0117 146 ASN 50 HB3 -0.0016 -0.0074 0.0124 147 ASN 50 HB2 -0.0016 -0.0065 0.0119 148 ASN 50 HD22 -0.0019 -0.0080 0.0130 149 ASN 50 HD21 -0.0025 -0.0071 0.0127 150 ILE 51 N 0.0004 -0.0069 0.0112 151 ILE 51 CA 0.0005 -0.0066 0.0109 152 ILE 51 C -0.0002 -0.0066 0.0113 153 ILE 51 O -0.0006 -0.0073 0.0118 154 ILE 51 CB 0.0014 -0.0072 0.0108 155 ILE 51 CG1 0.0023 -0.0072 0.0104 156 ILE 51 CG2 0.0016 -0.0069 0.0105 157 ILE 51 CD1 0.0031 -0.0079 0.0104 158 ILE 51 H 0.0009 -0.0074 0.0112 159 ILE 51 HA 0.0006 -0.0060 0.0105 160 ILE 51 HB 0.0014 -0.0078 0.0112 161 ILE 51 HG13 0.0021 -0.0072 0.0105 162 ILE 51 HG12 0.0025 -0.0066 0.0099 163 ILE 51 HG21 0.0022 -0.0073 0.0104 164 ILE 51 HG22 0.0011 -0.0070 0.0109 165 ILE 51 HG23 0.0016 -0.0062 0.0101 166 ILE 51 HD11 0.0037 -0.0078 0.0101 167 ILE 51 HD12 0.0030 -0.0085 0.0108 168 ILE 51 HD13 0.0032 -0.0080 0.0104 169 HIS 52 N -0.0035 -0.0053 0.0059 170 HIS 52 CA -0.0050 -0.0047 0.0054 171 HIS 52 C -0.0040 -0.0036 0.0051 172 HIS 52 O -0.0026 -0.0025 0.0050 173 HIS 52 CB -0.0064 -0.0037 0.0046 174 HIS 52 CG -0.0079 -0.0049 0.0048 175 HIS 52 ND1 -0.0078 -0.0068 0.0055 176 HIS 52 CD2 -0.0095 -0.0045 0.0043 177 HIS 52 CE1 -0.0094 -0.0074 0.0054 178 HIS 52 NE2 -0.0104 -0.0061 0.0046 179 HIS 52 H -0.0028 -0.0043 0.0057 180 HIS 52 HA -0.0057 -0.0059 0.0056 181 HIS 52 HB3 -0.0072 -0.0029 0.0042 182 HIS 52 HB2 -0.0057 -0.0027 0.0044 183 HIS 52 HD1 -0.0068 -0.0075 0.0060 184 HIS 52 HD2 -0.0100 -0.0032 0.0036 185 HIS 52 HE1 -0.0097 -0.0088 0.0058 186 ASN 53 N -0.0046 -0.0038 0.0051 187 ASN 53 CA -0.0038 -0.0027 0.0048 188 ASN 53 C -0.0050 -0.0011 0.0040 189 ASN 53 O -0.0067 -0.0014 0.0037 190 ASN 53 CB -0.0038 -0.0039 0.0053 191 ASN 53 CG -0.0021 -0.0050 0.0061 192 ASN 53 OD1 -0.0010 -0.0049 0.0063 193 ASN 53 ND2 -0.0019 -0.0062 0.0066 194 ASN 53 H -0.0058 -0.0045 0.0051 195 ASN 53 HA -0.0024 -0.0022 0.0050 196 ASN 53 HB3 -0.0037 -0.0030 0.0050 197 ASN 53 HB2 -0.0051 -0.0047 0.0053 198 ASN 53 HD22 -0.0009 -0.0070 0.0071 199 ASN 53 HD21 -0.0028 -0.0062 0.0064 200 ARG 54 N -0.0031 0.0000 -0.0030 201 ARG 54 CA -0.0048 0.0033 -0.0048 202 ARG 54 C -0.0049 0.0076 -0.0052 203 ARG 54 O -0.0025 0.0103 -0.0031 204 ARG 54 CB -0.0029 0.0039 -0.0031 205 ARG 54 CG -0.0039 0.0079 -0.0042 206 ARG 54 CD -0.0073 0.0073 -0.0074 207 ARG 54 NE -0.0075 0.0035 -0.0073 208 ARG 54 CZ -0.0102 0.0014 -0.0096 209 ARG 54 NH1 -0.0133 0.0028 -0.0125 210 ARG 54 NH2 -0.0099 -0.0022 -0.0091 211 ARG 54 H -0.0006 0.0008 -0.0008 212 ARG 54 HA -0.0074 0.0021 -0.0071 213 ARG 54 HB3 -0.0002 0.0043 -0.0006 214 ARG 54 HB2 -0.0032 0.0008 -0.0031 215 ARG 54 HG3 -0.0036 0.0112 -0.0042 216 ARG 54 HG2 -0.0020 0.0082 -0.0025 217 ARG 54 HD3 -0.0091 0.0063 -0.0089 218 ARG 54 HD2 -0.0082 0.0104 -0.0084 219 ARG 54 HH22 -0.0117 -0.0040 -0.0107 220 ARG 54 HH21 -0.0075 -0.0034 -0.0068 221 ARG 54 HH12 -0.0154 0.0012 -0.0144 222 ARG 54 HH11 -0.0135 0.0055 -0.0129 223 ARG 54 HE -0.0052 0.0024 -0.0051 224 ASN 55 N -0.0078 0.0082 -0.0078 225 ASN 55 CA -0.0088 0.0125 -0.0091 226 ASN 55 C -0.0068 0.0140 -0.0073 227 ASN 55 O -0.0070 0.0178 -0.0078 228 ASN 55 CB -0.0089 0.0164 -0.0094 229 ASN 55 CG -0.0111 0.0156 -0.0114 230 ASN 55 OD1 -0.0123 0.0118 -0.0122 231 ASN 55 ND2 -0.0117 0.0191 -0.0122 232 ASN 55 H -0.0096 0.0057 -0.0093 233 ASN 55 HA -0.0114 0.0119 -0.0114 234 ASN 55 HB3 -0.0098 0.0194 -0.0104 235 ASN 55 HB2 -0.0064 0.0174 -0.0072 236 ASN 55 HD22 -0.0132 0.0188 -0.0135 237 ASN 55 HD21 -0.0108 0.0223 -0.0116 238 THR 56 N -0.0036 0.0106 -0.0047 239 THR 56 CA -0.0015 0.0113 -0.0028 240 THR 56 C -0.0029 0.0121 -0.0044 241 THR 56 O -0.0014 0.0128 -0.0030 242 THR 56 CB -0.0001 0.0075 -0.0005 243 THR 56 OG1 -0.0022 0.0040 -0.0019 244 THR 56 CG2 0.0017 0.0067 0.0014 245 THR 56 H -0.0039 0.0077 -0.0044 246 THR 56 HA 0.0001 0.0139 -0.0017 247 THR 56 HB 0.0014 0.0077 0.0009 248 THR 56 HG1 -0.0012 0.0020 -0.0005 249 THR 56 HG21 0.0024 0.0038 0.0028 250 THR 56 HG22 0.0036 0.0090 0.0029 251 THR 56 HG23 0.0005 0.0066 0.0002 252 TYR 66 N -0.0078 0.0047 0.0001 253 TYR 66 CA -0.0078 0.0047 0.0000 254 TYR 66 C -0.0077 0.0045 -0.0009 255 TYR 66 O -0.0079 0.0041 -0.0010 256 TYR 66 CB -0.0074 0.0054 0.0005 257 TYR 66 CG -0.0075 0.0056 0.0014 258 TYR 66 CD1 -0.0079 0.0051 0.0019 259 TYR 66 CD2 -0.0070 0.0063 0.0017 260 TYR 66 CE1 -0.0080 0.0053 0.0028 261 TYR 66 CE2 -0.0071 0.0065 0.0026 262 TYR 66 CZ -0.0076 0.0061 0.0031 263 TYR 66 OH -0.0076 0.0063 0.0039 264 TYR 66 H -0.0075 0.0051 0.0002 265 TYR 66 HA -0.0082 0.0042 0.0004 266 TYR 66 HB3 -0.0074 0.0054 0.0004 267 TYR 66 HB2 -0.0070 0.0058 0.0001 268 TYR 66 HD1 -0.0083 0.0045 0.0017 269 TYR 66 HD2 -0.0067 0.0067 0.0013 270 TYR 66 HE1 -0.0083 0.0050 0.0032 271 TYR 66 HE2 -0.0068 0.0071 0.0028 272 TYR 66 HH -0.0073 0.0068 0.0041 273 TYR 67 N -0.0074 0.0048 -0.0015 274 TYR 67 CA -0.0073 0.0046 -0.0024 275 TYR 67 C -0.0077 0.0038 -0.0027 276 TYR 67 O -0.0078 0.0036 -0.0033 277 TYR 67 CB -0.0068 0.0050 -0.0029 278 TYR 67 CG -0.0070 0.0048 -0.0031 279 TYR 67 CD1 -0.0071 0.0048 -0.0025 280 TYR 67 CD2 -0.0069 0.0045 -0.0040 281 TYR 67 CE1 -0.0072 0.0045 -0.0028 282 TYR 67 CE2 -0.0071 0.0043 -0.0042 283 TYR 67 CZ -0.0072 0.0042 -0.0036 284 TYR 67 OH -0.0074 0.0039 -0.0038 285 TYR 67 H -0.0072 0.0050 -0.0013 286 TYR 67 HA -0.0071 0.0048 -0.0024 287 TYR 67 HB3 -0.0065 0.0056 -0.0026 288 TYR 67 HB2 -0.0067 0.0051 -0.0035 289 TYR 67 HD1 -0.0071 0.0050 -0.0019 290 TYR 67 HD2 -0.0068 0.0045 -0.0045 291 TYR 67 HE1 -0.0074 0.0045 -0.0023 292 TYR 67 HE2 -0.0070 0.0041 -0.0049 293 TYR 67 HH -0.0072 0.0039 -0.0044 294 ASN 68 N -0.0087 0.0022 -0.0008 295 ASN 68 CA -0.0090 0.0014 -0.0010 296 ASN 68 C -0.0091 0.0003 -0.0006 297 ASN 68 O -0.0095 -0.0004 -0.0010 298 ASN 68 CB -0.0087 0.0017 -0.0005 299 ASN 68 CG -0.0087 0.0026 -0.0011 300 ASN 68 OD1 -0.0091 0.0027 -0.0020 301 ASN 68 ND2 -0.0082 0.0033 -0.0006 302 ASN 68 H -0.0083 0.0025 -0.0002 303 ASN 68 HA -0.0094 0.0015 -0.0018 304 ASN 68 HB3 -0.0088 0.0010 -0.0005 305 ASN 68 HB2 -0.0082 0.0019 0.0002 306 ASN 68 HD22 -0.0082 0.0039 -0.0010 307 ASN 68 HD21 -0.0079 0.0032 0.0001 308 ARG 69 N -0.0086 0.0002 0.0004 309 ARG 69 CA -0.0086 -0.0008 0.0010 310 ARG 69 C -0.0089 -0.0013 0.0007 311 ARG 69 O -0.0090 -0.0022 0.0011 312 ARG 69 CB -0.0080 -0.0006 0.0020 313 ARG 69 CG -0.0077 -0.0002 0.0025 314 ARG 69 CD -0.0071 0.0003 0.0034 315 ARG 69 NE -0.0069 -0.0003 0.0041 316 ARG 69 CZ -0.0064 0.0001 0.0049 317 ARG 69 NH1 -0.0063 -0.0006 0.0055 318 ARG 69 NH2 -0.0060 0.0011 0.0050 319 ARG 69 H -0.0083 0.0009 0.0007 320 ARG 69 HA -0.0088 -0.0013 0.0009 321 ARG 69 HB3 -0.0080 -0.0013 0.0025 322 ARG 69 HB2 -0.0078 -0.0001 0.0021 323 ARG 69 HG3 -0.0078 0.0004 0.0020 324 ARG 69 HG2 -0.0078 -0.0008 0.0026 325 ARG 69 HD3 -0.0070 0.0011 0.0032 326 ARG 69 HD2 -0.0068 0.0005 0.0038 327 ARG 69 HH22 -0.0057 0.0014 0.0055 328 ARG 69 HH21 -0.0061 0.0016 0.0046 329 ARG 69 HH12 -0.0060 -0.0004 0.0060 330 ARG 69 HH11 -0.0066 -0.0014 0.0053 331 ARG 69 HE -0.0071 -0.0011 0.0041 332 SER 70 N -0.0085 0.0024 0.0007 333 SER 70 CA -0.0085 0.0023 0.0007 334 SER 70 C -0.0088 0.0019 0.0004 335 SER 70 O -0.0090 0.0018 0.0001 336 SER 70 CB -0.0084 0.0028 0.0005 337 SER 70 OG -0.0084 0.0027 0.0004 338 SER 70 H -0.0084 0.0027 0.0005 339 SER 70 HA -0.0085 0.0022 0.0011 340 SER 70 HB3 -0.0084 0.0029 0.0001 341 SER 70 HB2 -0.0081 0.0030 0.0007 342 SER 70 HG -0.0083 0.0028 0.0006 343 THR 71 N -0.0089 0.0017 0.0005 344 THR 71 CA -0.0092 0.0013 0.0003 345 THR 71 C -0.0092 0.0016 -0.0002 346 THR 71 O -0.0094 0.0013 -0.0006 347 THR 71 CB -0.0093 0.0010 0.0006 348 THR 71 OG1 -0.0091 0.0013 0.0007 349 THR 71 CG2 -0.0093 0.0008 0.0010 350 THR 71 H -0.0088 0.0017 0.0009 351 THR 71 HA -0.0094 0.0011 0.0001 352 THR 71 HB -0.0095 0.0008 0.0003 353 THR 71 HG1 -0.0092 0.0013 0.0004 354 THR 71 HG21 -0.0094 0.0006 0.0012 355 THR 71 HG22 -0.0095 0.0005 0.0010 356 THR 71 HG23 -0.0091 0.0010 0.0013 357 SER 72 N -0.0088 0.0027 0.0005 358 SER 72 CA -0.0085 0.0029 0.0000 359 SER 72 C -0.0082 0.0031 -0.0003 360 SER 72 O -0.0079 0.0035 -0.0002 361 SER 72 CB -0.0082 0.0033 0.0003 362 SER 72 OG -0.0081 0.0035 0.0008 363 SER 72 H -0.0087 0.0029 0.0008 364 SER 72 HA -0.0086 0.0027 -0.0003 365 SER 72 HB3 -0.0084 0.0031 0.0004 366 SER 72 HB2 -0.0079 0.0035 -0.0000 367 SER 72 HG -0.0080 0.0036 0.0007 368 PRO 73 N -0.0084 0.0029 -0.0006 369 PRO 73 CA -0.0082 0.0030 -0.0007 370 PRO 73 C -0.0079 0.0033 -0.0012 371 PRO 73 O -0.0078 0.0033 -0.0016 372 PRO 73 CB -0.0086 0.0026 -0.0009 373 PRO 73 CG -0.0088 0.0023 -0.0011 374 PRO 73 CD -0.0088 0.0024 -0.0007 375 PRO 73 HA -0.0081 0.0032 -0.0004 376 PRO 73 HB3 -0.0087 0.0025 -0.0005 377 PRO 73 HB2 -0.0085 0.0027 -0.0012 378 PRO 73 HG3 -0.0092 0.0019 -0.0011 379 PRO 73 HG2 -0.0087 0.0023 -0.0016 380 PRO 73 HD2 -0.0089 0.0023 -0.0010 381 PRO 73 HD3 -0.0091 0.0022 -0.0004 382 TRP 74 N -0.0065 0.0054 -0.0029 383 TRP 74 CA -0.0055 0.0054 -0.0034 384 TRP 74 C -0.0054 0.0052 -0.0044 385 TRP 74 O -0.0059 0.0050 -0.0046 386 TRP 74 CB -0.0047 0.0058 -0.0028 387 TRP 74 CG -0.0044 0.0060 -0.0024 388 TRP 74 CD1 -0.0038 0.0060 -0.0029 389 TRP 74 CD2 -0.0049 0.0062 -0.0016 390 TRP 74 NE1 -0.0037 0.0062 -0.0023 391 TRP 74 CE2 -0.0044 0.0063 -0.0015 392 TRP 74 CE3 -0.0056 0.0063 -0.0009 393 TRP 74 CZ2 -0.0046 0.0065 -0.0008 394 TRP 74 CZ3 -0.0058 0.0064 -0.0001 395 TRP 74 CH2 -0.0053 0.0066 -0.0001 396 TRP 74 H -0.0067 0.0053 -0.0030 397 TRP 74 HA -0.0056 0.0054 -0.0036 398 TRP 74 HB3 -0.0048 0.0060 -0.0021 399 TRP 74 HB2 -0.0040 0.0059 -0.0031 400 TRP 74 HD1 -0.0034 0.0059 -0.0035 401 TRP 74 HE1 -0.0033 0.0062 -0.0025 402 TRP 74 HE3 -0.0060 0.0062 -0.0009 403 TRP 74 HZ2 -0.0042 0.0066 -0.0008 404 TRP 74 HZ3 -0.0064 0.0065 0.0005 405 TRP 74 HH2 -0.0055 0.0067 0.0005 406 ASN 75 N -0.0046 0.0051 -0.0050 407 ASN 75 CA -0.0042 0.0049 -0.0058 408 ASN 75 C -0.0032 0.0052 -0.0057 409 ASN 75 O -0.0027 0.0055 -0.0052 410 ASN 75 CB -0.0044 0.0046 -0.0067 411 ASN 75 CG -0.0054 0.0043 -0.0069 412 ASN 75 OD1 -0.0061 0.0043 -0.0067 413 ASN 75 ND2 -0.0056 0.0042 -0.0073 414 ASN 75 H -0.0042 0.0053 -0.0047 415 ASN 75 HA -0.0046 0.0048 -0.0059 416 ASN 75 HB3 -0.0040 0.0045 -0.0073 417 ASN 75 HB2 -0.0040 0.0047 -0.0066 418 ASN 75 HD22 -0.0063 0.0040 -0.0075 419 ASN 75 HD21 -0.0051 0.0042 -0.0075 420 LEU 76 N -0.0002 0.0062 -0.0064 421 LEU 76 CA 0.0019 0.0053 -0.0063 422 LEU 76 C 0.0030 0.0045 -0.0072 423 LEU 76 O 0.0022 0.0042 -0.0088 424 LEU 76 CB 0.0022 0.0048 -0.0073 425 LEU 76 CG 0.0014 0.0055 -0.0064 426 LEU 76 CD1 0.0017 0.0049 -0.0076 427 LEU 76 CD2 0.0024 0.0060 -0.0042 428 LEU 76 H -0.0010 0.0060 -0.0078 429 LEU 76 HA 0.0026 0.0057 -0.0047 430 LEU 76 HB3 0.0038 0.0041 -0.0073 431 LEU 76 HB2 0.0016 0.0045 -0.0089 432 LEU 76 HG -0.0002 0.0062 -0.0064 433 LEU 76 HD11 0.0010 0.0055 -0.0070 434 LEU 76 HD12 0.0010 0.0046 -0.0092 435 LEU 76 HD13 0.0032 0.0043 -0.0076 436 LEU 76 HD21 0.0027 0.0060 -0.0038 437 LEU 76 HD22 0.0038 0.0055 -0.0038 438 LEU 76 HD23 0.0014 0.0068 -0.0031 439 HIS 77 N 0.0047 0.0042 -0.0062 440 HIS 77 CA 0.0060 0.0033 -0.0069 441 HIS 77 C 0.0080 0.0024 -0.0070 442 HIS 77 O 0.0086 0.0026 -0.0058 443 HIS 77 CB 0.0061 0.0038 -0.0056 444 HIS 77 CG 0.0041 0.0046 -0.0056 445 HIS 77 ND1 0.0028 0.0046 -0.0073 446 HIS 77 CD2 0.0033 0.0056 -0.0040 447 HIS 77 CE1 0.0013 0.0055 -0.0067 448 HIS 77 NE2 0.0015 0.0061 -0.0048 449 HIS 77 H 0.0052 0.0045 -0.0048 450 HIS 77 HA 0.0054 0.0030 -0.0085 451 HIS 77 HB3 0.0071 0.0031 -0.0061 452 HIS 77 HB2 0.0067 0.0041 -0.0040 453 HIS 77 HD1 0.0029 0.0040 -0.0087 454 HIS 77 HD2 0.0039 0.0060 -0.0024 455 HIS 77 HE1 -0.0000 0.0056 -0.0077 456 ARG 78 N 0.0128 -0.0014 -0.0021 457 ARG 78 CA 0.0126 -0.0031 -0.0024 458 ARG 78 C 0.0133 -0.0040 -0.0010 459 ARG 78 O 0.0138 -0.0044 0.0000 460 ARG 78 CB 0.0124 -0.0040 -0.0030 461 ARG 78 CG 0.0120 -0.0057 -0.0037 462 ARG 78 CD 0.0117 -0.0064 -0.0044 463 ARG 78 NE 0.0115 -0.0082 -0.0049 464 ARG 78 CZ 0.0120 -0.0095 -0.0040 465 ARG 78 NH1 0.0117 -0.0110 -0.0046 466 ARG 78 NH2 0.0127 -0.0094 -0.0025 467 ARG 78 H 0.0130 -0.0012 -0.0016 468 ARG 78 HA 0.0122 -0.0031 -0.0033 469 ARG 78 HB3 0.0128 -0.0041 -0.0021 470 ARG 78 HB2 0.0119 -0.0032 -0.0039 471 ARG 78 HG3 0.0116 -0.0055 -0.0047 472 ARG 78 HG2 0.0124 -0.0066 -0.0030 473 ARG 78 HD3 0.0121 -0.0061 -0.0037 474 ARG 78 HD2 0.0112 -0.0058 -0.0055 475 ARG 78 HH22 0.0130 -0.0105 -0.0019 476 ARG 78 HH21 0.0130 -0.0084 -0.0019 477 ARG 78 HH12 0.0121 -0.0120 -0.0039 478 ARG 78 HH11 0.0112 -0.0113 -0.0057 479 ARG 78 HE 0.0110 -0.0083 -0.0060 480 ASN 79 N 0.0134 -0.0043 -0.0010 481 ASN 79 CA 0.0139 -0.0052 0.0002 482 ASN 79 C 0.0137 -0.0071 -0.0004 483 ASN 79 O 0.0131 -0.0074 -0.0016 484 ASN 79 CB 0.0140 -0.0045 0.0004 485 ASN 79 CG 0.0146 -0.0053 0.0015 486 ASN 79 OD1 0.0148 -0.0068 0.0019 487 ASN 79 ND2 0.0148 -0.0044 0.0020 488 ASN 79 H 0.0129 -0.0040 -0.0019 489 ASN 79 HA 0.0145 -0.0052 0.0013 490 ASN 79 HB3 0.0135 -0.0044 -0.0007 491 ASN 79 HB2 0.0141 -0.0032 0.0007 492 ASN 79 HD22 0.0152 -0.0048 0.0028 493 ASN 79 HD21 0.0146 -0.0032 0.0016 494 GLU 80 N 0.0149 -0.0097 0.0016 495 GLU 80 CA 0.0138 -0.0091 0.0022 496 GLU 80 C 0.0128 -0.0087 0.0015 497 GLU 80 O 0.0130 -0.0088 0.0010 498 GLU 80 CB 0.0139 -0.0090 0.0037 499 GLU 80 CG 0.0128 -0.0084 0.0044 500 GLU 80 CD 0.0130 -0.0083 0.0059 501 GLU 80 OE1 0.0136 -0.0086 0.0064 502 GLU 80 OE2 0.0127 -0.0081 0.0065 503 GLU 80 H 0.0152 -0.0098 0.0014 504 GLU 80 HA 0.0135 -0.0089 0.0022 505 GLU 80 HB3 0.0142 -0.0091 0.0038 506 GLU 80 HB2 0.0146 -0.0093 0.0041 507 GLU 80 HG3 0.0124 -0.0082 0.0041 508 GLU 80 HG2 0.0121 -0.0081 0.0042 509 ASP 81 N 0.0117 -0.0081 0.0014 510 ASP 81 CA 0.0107 -0.0077 0.0007 511 ASP 81 C 0.0096 -0.0071 0.0015 512 ASP 81 O 0.0094 -0.0070 0.0014 513 ASP 81 CB 0.0107 -0.0078 -0.0007 514 ASP 81 CG 0.0097 -0.0074 -0.0017 515 ASP 81 OD1 0.0087 -0.0068 -0.0013 516 ASP 81 OD2 0.0098 -0.0076 -0.0028 517 ASP 81 H 0.0116 -0.0080 0.0018 518 ASP 81 HA 0.0107 -0.0077 0.0007 519 ASP 81 HB3 0.0108 -0.0078 -0.0007 520 ASP 81 HB2 0.0115 -0.0082 -0.0011 521 PRO 82 N 0.0055 0.0015 0.0040 522 PRO 82 CA 0.0056 0.0058 0.0065 523 PRO 82 C 0.0036 0.0066 0.0050 524 PRO 82 O 0.0045 0.0092 0.0073 525 PRO 82 CB 0.0037 0.0099 0.0069 526 PRO 82 CG 0.0008 0.0081 0.0032 527 PRO 82 CD 0.0030 0.0027 0.0023 528 PRO 82 HA 0.0087 0.0056 0.0093 529 PRO 82 HB3 0.0059 0.0104 0.0093 530 PRO 82 HB2 0.0022 0.0133 0.0073 531 PRO 82 HG3 0.0000 0.0099 0.0034 532 PRO 82 HG2 -0.0018 0.0087 0.0009 533 PRO 82 HD2 0.0009 0.0008 -0.0007 534 PRO 82 HD3 0.0049 0.0019 0.0037 535 GLU 83 N 0.0011 0.0043 0.0013 536 GLU 83 CA -0.0010 0.0045 -0.0006 537 GLU 83 C 0.0013 0.0009 -0.0003 538 GLU 83 O -0.0002 0.0004 -0.0021 539 GLU 83 CB -0.0050 0.0039 -0.0048 540 GLU 83 CG -0.0078 0.0082 -0.0051 541 GLU 83 CD -0.0089 0.0128 -0.0036 542 GLU 83 OE1 -0.0104 0.0128 -0.0050 543 GLU 83 OE2 -0.0080 0.0162 -0.0008 544 GLU 83 H 0.0007 0.0020 -0.0004 545 GLU 83 HA -0.0016 0.0080 0.0008 546 GLU 83 HB3 -0.0065 0.0033 -0.0065 547 GLU 83 HB2 -0.0046 0.0008 -0.0061 548 GLU 83 HG3 -0.0105 0.0076 -0.0080 549 GLU 83 HG2 -0.0065 0.0087 -0.0035 550 ARG 84 N 0.0069 -0.0044 0.0023 551 ARG 84 CA 0.0078 -0.0054 0.0018 552 ARG 84 C 0.0089 -0.0051 0.0029 553 ARG 84 O 0.0094 -0.0044 0.0039 554 ARG 84 CB 0.0086 -0.0064 0.0012 555 ARG 84 CG 0.0095 -0.0077 0.0004 556 ARG 84 CD 0.0103 -0.0086 -0.0000 557 ARG 84 NE 0.0115 -0.0084 0.0010 558 ARG 84 CZ 0.0120 -0.0087 0.0010 559 ARG 84 NH1 0.0130 -0.0084 0.0020 560 ARG 84 NH2 0.0115 -0.0093 -0.0000 561 ARG 84 H 0.0075 -0.0041 0.0030 562 ARG 84 HA 0.0071 -0.0056 0.0011 563 ARG 84 HB3 0.0093 -0.0061 0.0020 564 ARG 84 HB2 0.0078 -0.0065 0.0006 565 ARG 84 HG3 0.0088 -0.0080 -0.0003 566 ARG 84 HG2 0.0103 -0.0076 0.0010 567 ARG 84 HD3 0.0094 -0.0085 -0.0005 568 ARG 84 HD2 0.0106 -0.0095 -0.0008 569 ARG 84 HH22 0.0119 -0.0095 0.0000 570 ARG 84 HH21 0.0106 -0.0095 -0.0008 571 ARG 84 HH12 0.0135 -0.0086 0.0020 572 ARG 84 HH11 0.0132 -0.0076 0.0029 573 ARG 84 HE 0.0120 -0.0080 0.0017 574 PRO 86 N 0.0122 -0.0060 0.0025 575 PRO 86 CA 0.0127 -0.0060 0.0032 576 PRO 86 C 0.0122 -0.0059 0.0026 577 PRO 86 O 0.0119 -0.0065 0.0017 578 PRO 86 CB 0.0135 -0.0071 0.0036 579 PRO 86 CG 0.0136 -0.0075 0.0034 580 PRO 86 CD 0.0127 -0.0071 0.0024 581 PRO 86 HA 0.0127 -0.0052 0.0039 582 PRO 86 HB3 0.0140 -0.0070 0.0044 583 PRO 86 HB2 0.0135 -0.0077 0.0031 584 PRO 86 HG3 0.0138 -0.0070 0.0041 585 PRO 86 HG2 0.0140 -0.0084 0.0033 586 PRO 86 HD2 0.0125 -0.0077 0.0017 587 PRO 86 HD3 0.0126 -0.0071 0.0024 588 SER 87 N 0.0121 -0.0051 0.0031 589 SER 87 CA 0.0117 -0.0049 0.0026 590 SER 87 C 0.0121 -0.0060 0.0025 591 SER 87 O 0.0117 -0.0063 0.0016 592 SER 87 CB 0.0115 -0.0038 0.0032 593 SER 87 OG 0.0123 -0.0038 0.0043 594 SER 87 H 0.0124 -0.0047 0.0038 595 SER 87 HA 0.0111 -0.0049 0.0018 596 SER 87 HB3 0.0111 -0.0031 0.0032 597 SER 87 HB2 0.0112 -0.0037 0.0029 598 SER 87 HG 0.0123 -0.0035 0.0045 599 VAL 88 N 0.0123 -0.0089 -0.0016 600 VAL 88 CA 0.0124 -0.0078 -0.0016 601 VAL 88 C 0.0123 -0.0071 -0.0020 602 VAL 88 O 0.0120 -0.0074 -0.0028 603 VAL 88 CB 0.0122 -0.0076 -0.0024 604 VAL 88 CG1 0.0122 -0.0063 -0.0024 605 VAL 88 CG2 0.0122 -0.0082 -0.0020 606 VAL 88 H 0.0121 -0.0093 -0.0023 607 VAL 88 HA 0.0126 -0.0075 -0.0008 608 VAL 88 HB 0.0119 -0.0078 -0.0032 609 VAL 88 HG11 0.0120 -0.0062 -0.0029 610 VAL 88 HG12 0.0121 -0.0058 -0.0028 611 VAL 88 HG13 0.0124 -0.0060 -0.0016 612 VAL 88 HG21 0.0121 -0.0081 -0.0026 613 VAL 88 HG22 0.0125 -0.0080 -0.0012 614 VAL 88 HG23 0.0122 -0.0091 -0.0020 615 ILE 89 N 0.0125 -0.0062 -0.0014 616 ILE 89 CA 0.0124 -0.0054 -0.0017 617 ILE 89 C 0.0125 -0.0043 -0.0016 618 ILE 89 O 0.0127 -0.0042 -0.0009 619 ILE 89 CB 0.0126 -0.0054 -0.0010 620 ILE 89 CG1 0.0125 -0.0065 -0.0013 621 ILE 89 CG2 0.0126 -0.0044 -0.0011 622 ILE 89 CD1 0.0127 -0.0067 -0.0006 623 ILE 89 H 0.0127 -0.0061 -0.0007 624 ILE 89 HA 0.0122 -0.0054 -0.0025 625 ILE 89 HB 0.0128 -0.0055 -0.0002 626 ILE 89 HG13 0.0125 -0.0072 -0.0013 627 ILE 89 HG12 0.0123 -0.0064 -0.0021 628 ILE 89 HG21 0.0127 -0.0045 -0.0006 629 ILE 89 HG22 0.0127 -0.0037 -0.0009 630 ILE 89 HG23 0.0124 -0.0043 -0.0019 631 ILE 89 HD11 0.0127 -0.0075 -0.0006 632 ILE 89 HD12 0.0129 -0.0065 0.0002 633 ILE 89 HD13 0.0126 -0.0062 -0.0008 634 TRP 90 N 0.0111 -0.0002 -0.0058 635 TRP 90 CA 0.0099 0.0010 -0.0059 636 TRP 90 C 0.0095 0.0019 -0.0045 637 TRP 90 O 0.0094 0.0021 -0.0043 638 TRP 90 CB 0.0091 0.0013 -0.0075 639 TRP 90 CG 0.0093 0.0006 -0.0089 640 TRP 90 CD1 0.0100 -0.0004 -0.0098 641 TRP 90 CD2 0.0089 0.0008 -0.0097 642 TRP 90 NE1 0.0100 -0.0008 -0.0111 643 TRP 90 CE2 0.0093 -0.0001 -0.0111 644 TRP 90 CE3 0.0081 0.0017 -0.0093 645 TRP 90 CZ2 0.0089 -0.0000 -0.0121 646 TRP 90 CZ3 0.0078 0.0018 -0.0103 647 TRP 90 CH2 0.0082 0.0009 -0.0117 648 TRP 90 H 0.0111 -0.0003 -0.0057 649 TRP 90 HA 0.0099 0.0010 -0.0059 650 TRP 90 HB3 0.0082 0.0022 -0.0074 651 TRP 90 HB2 0.0092 0.0012 -0.0076 652 TRP 90 HD1 0.0105 -0.0009 -0.0096 653 TRP 90 HE1 0.0104 -0.0015 -0.0120 654 TRP 90 HE3 0.0078 0.0024 -0.0082 655 TRP 90 HZ2 0.0092 -0.0007 -0.0131 656 TRP 90 HZ3 0.0072 0.0025 -0.0100 657 TRP 90 HH2 0.0079 0.0009 -0.0125 658 GLU 91 N 0.0093 0.0024 -0.0035 659 GLU 91 CA 0.0089 0.0033 -0.0020 660 GLU 91 C 0.0077 0.0046 -0.0022 661 GLU 91 O 0.0073 0.0047 -0.0029 662 GLU 91 CB 0.0097 0.0029 -0.0007 663 GLU 91 CG 0.0109 0.0019 -0.0001 664 GLU 91 CD 0.0118 0.0011 0.0007 665 GLU 91 OE1 0.0117 0.0013 0.0009 666 GLU 91 OE2 0.0128 0.0002 0.0010 667 GLU 91 H 0.0094 0.0022 -0.0037 668 GLU 91 HA 0.0091 0.0032 -0.0017 669 GLU 91 HB3 0.0093 0.0037 0.0003 670 GLU 91 HB2 0.0098 0.0027 -0.0011 671 GLU 91 HG3 0.0111 0.0013 -0.0011 672 GLU 91 HG2 0.0108 0.0022 0.0008 673 ALA 92 N 0.0030 0.0062 -0.0031 674 ALA 92 CA 0.0014 0.0062 -0.0029 675 ALA 92 C 0.0012 0.0063 -0.0027 676 ALA 92 O 0.0019 0.0066 -0.0017 677 ALA 92 CB 0.0007 0.0067 -0.0016 678 ALA 92 H 0.0036 0.0065 -0.0022 679 ALA 92 HA 0.0007 0.0059 -0.0039 680 ALA 92 HB1 -0.0006 0.0068 -0.0014 681 ALA 92 HB2 0.0008 0.0066 -0.0017 682 ALA 92 HB3 0.0013 0.0070 -0.0005 683 LYS 93 N 0.0001 0.0060 -0.0036 684 LYS 93 CA -0.0004 0.0061 -0.0034 685 LYS 93 C -0.0023 0.0061 -0.0032 686 LYS 93 O -0.0031 0.0058 -0.0042 687 LYS 93 CB 0.0001 0.0056 -0.0048 688 LYS 93 CG -0.0003 0.0056 -0.0047 689 LYS 93 CD 0.0002 0.0051 -0.0062 690 LYS 93 CE -0.0001 0.0051 -0.0062 691 LYS 93 NZ 0.0004 0.0046 -0.0077 692 LYS 93 H -0.0004 0.0057 -0.0045 693 LYS 93 HA 0.0001 0.0064 -0.0024 694 LYS 93 HB3 -0.0005 0.0053 -0.0058 695 LYS 93 HB2 0.0014 0.0056 -0.0050 696 LYS 93 HG3 0.0003 0.0060 -0.0038 697 LYS 93 HG2 -0.0016 0.0057 -0.0045 698 LYS 93 HD3 -0.0006 0.0048 -0.0071 699 LYS 93 HD2 0.0014 0.0050 -0.0065 700 LYS 93 HE3 0.0007 0.0054 -0.0053 701 LYS 93 HE2 -0.0013 0.0052 -0.0059 702 LYS 93 HZ1 -0.0003 0.0044 -0.0085 703 LYS 93 HZ2 0.0002 0.0047 -0.0076 704 LYS 93 HZ3 0.0015 0.0046 -0.0079 705 CYS 94 N -0.0037 0.0047 -0.0021 706 CYS 94 CA -0.0048 0.0046 -0.0018 707 CYS 94 C -0.0053 0.0042 -0.0026 708 CYS 94 O -0.0048 0.0040 -0.0031 709 CYS 94 CB -0.0049 0.0050 -0.0009 710 CYS 94 SG -0.0040 0.0056 0.0000 711 CYS 94 H -0.0032 0.0050 -0.0017 712 CYS 94 HA -0.0051 0.0046 -0.0017 713 CYS 94 HB3 -0.0057 0.0050 -0.0005 714 CYS 94 HB2 -0.0048 0.0050 -0.0010 715 ARG 95 N -0.0063 0.0039 -0.0028 716 ARG 95 CA -0.0068 0.0034 -0.0036 717 ARG 95 C -0.0072 0.0034 -0.0033 718 ARG 95 O -0.0074 0.0031 -0.0040 719 ARG 95 CB -0.0078 0.0031 -0.0038 720 ARG 95 CG -0.0075 0.0030 -0.0040 721 ARG 95 CD -0.0084 0.0027 -0.0043 722 ARG 95 NE -0.0082 0.0027 -0.0044 723 ARG 95 CZ -0.0088 0.0026 -0.0045 724 ARG 95 NH1 -0.0098 0.0024 -0.0044 725 ARG 95 NH2 -0.0083 0.0026 -0.0046 726 ARG 95 H -0.0066 0.0040 -0.0024 727 ARG 95 HA -0.0063 0.0032 -0.0042 728 ARG 95 HB3 -0.0082 0.0028 -0.0043 729 ARG 95 HB2 -0.0083 0.0033 -0.0031 730 ARG 95 HG3 -0.0070 0.0034 -0.0035 731 ARG 95 HG2 -0.0070 0.0029 -0.0047 732 ARG 95 HD3 -0.0087 0.0024 -0.0049 733 ARG 95 HD2 -0.0091 0.0028 -0.0037 734 ARG 95 HH22 -0.0087 0.0025 -0.0046 735 ARG 95 HH21 -0.0076 0.0028 -0.0044 736 ARG 95 HH12 -0.0103 0.0022 -0.0045 737 ARG 95 HH11 -0.0102 0.0023 -0.0043 738 ARG 95 HE -0.0074 0.0028 -0.0046 739 HIS 96 N -0.0059 0.0015 -0.0012 740 HIS 96 CA -0.0061 0.0020 -0.0008 741 HIS 96 C -0.0055 0.0024 -0.0000 742 HIS 96 O -0.0052 0.0024 0.0001 743 HIS 96 CB -0.0071 0.0025 -0.0008 744 HIS 96 CG -0.0077 0.0021 -0.0015 745 HIS 96 ND1 -0.0079 0.0018 -0.0019 746 HIS 96 CD2 -0.0082 0.0019 -0.0019 747 HIS 96 CE1 -0.0084 0.0015 -0.0025 748 HIS 96 NE2 -0.0086 0.0015 -0.0026 749 HIS 96 H -0.0059 0.0017 -0.0011 750 HIS 96 HA -0.0060 0.0018 -0.0009 751 HIS 96 HB3 -0.0072 0.0028 -0.0005 752 HIS 96 HB2 -0.0072 0.0027 -0.0006 753 HIS 96 HD1 -0.0077 0.0019 -0.0017 754 HIS 96 HD2 -0.0082 0.0020 -0.0018 755 HIS 96 HE1 -0.0087 0.0013 -0.0029 756 LEU 97 N -0.0054 0.0028 0.0004 757 LEU 97 CA -0.0050 0.0033 0.0011 758 LEU 97 C -0.0057 0.0039 0.0015 759 LEU 97 O -0.0055 0.0042 0.0019 760 LEU 97 CB -0.0046 0.0034 0.0015 761 LEU 97 CG -0.0039 0.0028 0.0012 762 LEU 97 CD1 -0.0037 0.0029 0.0014 763 LEU 97 CD2 -0.0031 0.0026 0.0014 764 LEU 97 H -0.0056 0.0027 0.0002 765 LEU 97 HA -0.0045 0.0032 0.0012 766 LEU 97 HB3 -0.0044 0.0038 0.0020 767 LEU 97 HB2 -0.0051 0.0036 0.0014 768 LEU 97 HG -0.0041 0.0024 0.0006 769 LEU 97 HD11 -0.0032 0.0025 0.0012 770 LEU 97 HD12 -0.0042 0.0030 0.0012 771 LEU 97 HD13 -0.0035 0.0033 0.0019 772 LEU 97 HD21 -0.0025 0.0024 0.0014 773 LEU 97 HD22 -0.0030 0.0030 0.0019 774 LEU 97 HD23 -0.0031 0.0023 0.0010 775 GLY 98 N -0.0032 -0.0002 0.0013 776 GLY 98 CA -0.0041 0.0011 0.0009 777 GLY 98 C -0.0056 0.0007 0.0002 778 GLY 98 O -0.0060 -0.0004 0.0001 779 GLY 98 H -0.0030 -0.0009 0.0014 780 GLY 98 HA3 -0.0039 0.0014 0.0010 781 GLY 98 HA2 -0.0038 0.0021 0.0010 782 CYS 99 N -0.0065 0.0017 -0.0002 783 CYS 99 CA -0.0081 0.0015 -0.0008 784 CYS 99 C -0.0087 0.0015 -0.0011 785 CYS 99 O -0.0081 0.0022 -0.0009 786 CYS 99 CB -0.0087 0.0029 -0.0012 787 CYS 99 SG -0.0081 0.0032 -0.0009 788 CYS 99 H -0.0062 0.0026 -0.0000 789 CYS 99 HA -0.0083 0.0005 -0.0009 790 CYS 99 HB3 -0.0098 0.0027 -0.0016 791 CYS 99 HB2 -0.0085 0.0039 -0.0011 792 ILE 100 N -0.0108 0.0035 -0.0010 793 ILE 100 CA -0.0099 0.0010 0.0013 794 ILE 100 C -0.0096 0.0007 0.0012 795 ILE 100 O -0.0113 0.0027 0.0015 796 ILE 100 CB -0.0114 0.0009 0.0048 797 ILE 100 CG1 -0.0121 0.0016 0.0051 798 ILE 100 CG2 -0.0104 -0.0019 0.0072 799 ILE 100 CD1 -0.0100 -0.0003 0.0038 800 ILE 100 H -0.0126 0.0052 -0.0001 801 ILE 100 HA -0.0082 -0.0007 0.0006 802 ILE 100 HB -0.0130 0.0025 0.0056 803 ILE 100 HG13 -0.0131 0.0015 0.0076 804 ILE 100 HG12 -0.0131 0.0037 0.0038 805 ILE 100 HG21 -0.0114 -0.0019 0.0096 806 ILE 100 HG22 -0.0102 -0.0022 0.0075 807 ILE 100 HG23 -0.0087 -0.0036 0.0065 808 ILE 100 HD11 -0.0106 0.0001 0.0044 809 ILE 100 HD12 -0.0088 -0.0025 0.0049 810 ILE 100 HD13 -0.0091 0.0000 0.0013 811 ASN 101 N -0.0076 -0.0017 0.0007 812 ASN 101 CA -0.0070 -0.0024 0.0007 813 ASN 101 C -0.0073 -0.0040 0.0040 814 ASN 101 O -0.0079 -0.0045 0.0063 815 ASN 101 CB -0.0045 -0.0040 -0.0020 816 ASN 101 CG -0.0025 -0.0070 -0.0014 817 ASN 101 OD1 -0.0027 -0.0083 0.0012 818 ASN 101 ND2 -0.0004 -0.0082 -0.0037 819 ASN 101 H -0.0063 -0.0032 0.0005 820 ASN 101 HA -0.0081 -0.0005 0.0001 821 ASN 101 HB3 -0.0044 -0.0028 -0.0042 822 ASN 101 HB2 -0.0043 -0.0040 -0.0024 823 ASN 101 HD22 0.0010 -0.0103 -0.0033 824 ASN 101 HD21 -0.0003 -0.0072 -0.0059 825 ALA 102 N -0.0026 -0.0066 0.0028 826 ALA 102 CA -0.0017 -0.0092 0.0083 827 ALA 102 C 0.0031 -0.0141 0.0143 828 ALA 102 O 0.0015 -0.0156 0.0211 829 ALA 102 CB 0.0014 -0.0093 0.0037 830 ALA 102 H -0.0012 -0.0054 -0.0029 831 ALA 102 HA -0.0070 -0.0074 0.0116 832 ALA 102 HB1 0.0021 -0.0111 0.0077 833 ALA 102 HB2 -0.0022 -0.0058 -0.0001 834 ALA 102 HB3 0.0067 -0.0110 0.0002 835 GLY 104 N 0.0025 -0.0132 0.0196 836 GLY 104 CA -0.0004 -0.0088 0.0214 837 GLY 104 C -0.0019 -0.0084 0.0164 838 GLY 104 O -0.0036 -0.0057 0.0178 839 GLY 104 H 0.0015 -0.0124 0.0178 840 GLY 104 HA3 0.0010 -0.0091 0.0259 841 GLY 104 HA2 -0.0029 -0.0052 0.0221 842 ASN 105 N -0.0012 -0.0112 0.0107 843 ASN 105 CA -0.0025 -0.0113 0.0054 844 ASN 105 C -0.0064 -0.0074 0.0011 845 ASN 105 O -0.0073 -0.0064 0.0011 846 ASN 105 CB 0.0007 -0.0168 0.0016 847 ASN 105 CG 0.0046 -0.0209 0.0047 848 ASN 105 OD1 0.0069 -0.0250 0.0016 849 ASN 105 ND2 0.0055 -0.0200 0.0109 850 ASN 105 H -0.0001 -0.0131 0.0097 851 ASN 105 HA -0.0029 -0.0101 0.0071 852 ASN 105 HB3 -0.0005 -0.0166 -0.0029 853 ASN 105 HB2 0.0015 -0.0182 0.0002 854 ASN 105 HD22 0.0082 -0.0229 0.0130 855 ASN 105 HD21 0.0038 -0.0169 0.0137 856 VAL 106 N -0.0069 -0.0031 -0.0016 857 VAL 106 CA -0.0064 -0.0020 -0.0019 858 VAL 106 C -0.0051 -0.0001 -0.0026 859 VAL 106 O -0.0033 -0.0003 -0.0025 860 VAL 106 CB -0.0050 -0.0033 -0.0015 861 VAL 106 CG1 -0.0042 -0.0021 -0.0019 862 VAL 106 CG2 -0.0061 -0.0053 -0.0008 863 VAL 106 H -0.0058 -0.0042 -0.0012 864 VAL 106 HA -0.0079 -0.0016 -0.0021 865 VAL 106 HB -0.0035 -0.0038 -0.0014 866 VAL 106 HG11 -0.0034 -0.0032 -0.0016 867 VAL 106 HG12 -0.0031 -0.0009 -0.0023 868 VAL 106 HG13 -0.0056 -0.0015 -0.0021 869 VAL 106 HG21 -0.0050 -0.0063 -0.0005 870 VAL 106 HG22 -0.0075 -0.0050 -0.0009 871 VAL 106 HG23 -0.0067 -0.0062 -0.0005 872 ASP 107 N -0.0061 0.0018 -0.0032 873 ASP 107 CA -0.0050 0.0038 -0.0038 874 ASP 107 C -0.0037 0.0040 -0.0039 875 ASP 107 O -0.0047 0.0038 -0.0038 876 ASP 107 CB -0.0065 0.0056 -0.0044 877 ASP 107 CG -0.0054 0.0077 -0.0051 878 ASP 107 OD1 -0.0034 0.0078 -0.0051 879 ASP 107 OD2 -0.0066 0.0093 -0.0056 880 ASP 107 H -0.0076 0.0018 -0.0032 881 ASP 107 HA -0.0038 0.0037 -0.0038 882 ASP 107 HB3 -0.0078 0.0056 -0.0044 883 ASP 107 HB2 -0.0074 0.0053 -0.0043 884 TYR 108 N 0.0018 0.0079 0.0014 885 TYR 108 CA 0.0054 0.0043 0.0076 886 TYR 108 C 0.0063 0.0068 0.0092 887 TYR 108 O 0.0090 0.0033 0.0139 888 TYR 108 CB 0.0088 0.0060 0.0135 889 TYR 108 CG 0.0099 0.0146 0.0158 890 TYR 108 CD1 0.0081 0.0195 0.0129 891 TYR 108 CD2 0.0127 0.0177 0.0209 892 TYR 108 CE1 0.0091 0.0274 0.0150 893 TYR 108 CE2 0.0137 0.0257 0.0229 894 TYR 108 CZ 0.0119 0.0305 0.0200 895 TYR 108 OH 0.0127 0.0383 0.0218 896 TYR 108 H 0.0017 0.0137 0.0016 897 TYR 108 HA 0.0052 -0.0021 0.0068 898 TYR 108 HB3 0.0081 0.0038 0.0122 899 TYR 108 HB2 0.0114 0.0026 0.0180 900 TYR 108 HD1 0.0059 0.0172 0.0091 901 TYR 108 HD2 0.0141 0.0140 0.0231 902 TYR 108 HE1 0.0077 0.0312 0.0128 903 TYR 108 HE2 0.0158 0.0280 0.0267 904 TYR 108 HH 0.0135 0.0403 0.0232 905 HIS 109 N 0.0041 0.0126 0.0056 906 HIS 109 CA 0.0046 0.0150 0.0066 907 HIS 109 C 0.0028 0.0091 0.0033 908 HIS 109 O 0.0041 0.0087 0.0055 909 HIS 109 CB 0.0028 0.0233 0.0038 910 HIS 109 CG 0.0043 0.0296 0.0069 911 HIS 109 ND1 0.0024 0.0320 0.0035 912 HIS 109 CD2 0.0077 0.0339 0.0129 913 HIS 109 CE1 0.0045 0.0375 0.0075 914 HIS 109 NE2 0.0078 0.0389 0.0133 915 HIS 109 H 0.0018 0.0154 0.0018 916 HIS 109 HA 0.0077 0.0152 0.0121 917 HIS 109 HB3 0.0032 0.0251 0.0047 918 HIS 109 HB2 -0.0004 0.0233 -0.0017 919 HIS 109 HD1 -0.0001 0.0295 -0.0009 920 HIS 109 HD2 0.0100 0.0338 0.0169 921 HIS 109 HE1 0.0037 0.0403 0.0062 922 MET 110 N -0.0025 0.0072 0.0022 923 MET 110 CA -0.0034 0.0058 0.0014 924 MET 110 C -0.0024 0.0030 0.0020 925 MET 110 O -0.0013 0.0022 0.0029 926 MET 110 CB -0.0057 0.0057 -0.0004 927 MET 110 CG -0.0067 0.0084 -0.0011 928 MET 110 SD -0.0067 0.0100 -0.0010 929 MET 110 CE -0.0086 0.0082 -0.0026 930 MET 110 H -0.0029 0.0067 0.0019 931 MET 110 HA -0.0031 0.0067 0.0017 932 MET 110 HB3 -0.0063 0.0045 -0.0010 933 MET 110 HB2 -0.0060 0.0047 -0.0007 934 MET 110 HG3 -0.0083 0.0082 -0.0024 935 MET 110 HG2 -0.0061 0.0096 -0.0005 936 MET 110 HE1 -0.0089 0.0091 -0.0028 937 MET 110 HE2 -0.0100 0.0083 -0.0037 938 MET 110 HE3 -0.0081 0.0062 -0.0023 939 ASN 111 N -0.0027 0.0017 0.0017 940 ASN 111 CA -0.0019 -0.0010 0.0022 941 ASN 111 C -0.0035 -0.0028 0.0008 942 ASN 111 O -0.0046 -0.0022 -0.0001 943 ASN 111 CB -0.0003 -0.0010 0.0035 944 ASN 111 CG 0.0017 0.0004 0.0051 945 ASN 111 OD1 0.0028 0.0007 0.0060 946 ASN 111 ND2 0.0021 0.0013 0.0056 947 ASN 111 H -0.0036 0.0024 0.0010 948 ASN 111 HA -0.0011 -0.0017 0.0028 949 ASN 111 HB3 0.0002 -0.0030 0.0037 950 ASN 111 HB2 -0.0010 -0.0002 0.0029 951 ASN 111 HD22 0.0034 0.0023 0.0066 952 ASN 111 HD21 0.0012 0.0012 0.0048 953 SER 112 N -0.0064 0.0034 0.0021 954 SER 112 CA -0.0062 0.0031 0.0018 955 SER 112 C -0.0055 0.0029 0.0020 956 SER 112 O -0.0052 0.0028 0.0019 957 SER 112 CB -0.0063 0.0028 0.0012 958 SER 112 OG -0.0069 0.0028 0.0010 959 SER 112 H -0.0064 0.0033 0.0020 960 SER 112 HA -0.0064 0.0032 0.0018 961 SER 112 HB3 -0.0061 0.0025 0.0010 962 SER 112 HB2 -0.0062 0.0027 0.0012 963 SER 112 HG -0.0071 0.0030 0.0011 964 VAL 113 N -0.0053 0.0029 0.0021 965 VAL 113 CA -0.0047 0.0028 0.0023 966 VAL 113 C -0.0045 0.0025 0.0019 967 VAL 113 O -0.0048 0.0025 0.0018 968 VAL 113 CB -0.0045 0.0031 0.0029 969 VAL 113 CG1 -0.0046 0.0033 0.0032 970 VAL 113 CG2 -0.0048 0.0033 0.0030 971 VAL 113 H -0.0056 0.0030 0.0021 972 VAL 113 HA -0.0045 0.0027 0.0022 973 VAL 113 HB -0.0041 0.0030 0.0029 974 VAL 113 HG11 -0.0045 0.0035 0.0036 975 VAL 113 HG12 -0.0044 0.0032 0.0031 976 VAL 113 HG13 -0.0050 0.0035 0.0031 977 VAL 113 HG21 -0.0047 0.0035 0.0034 978 VAL 113 HG22 -0.0053 0.0034 0.0029 979 VAL 113 HG23 -0.0047 0.0031 0.0028 980 PRO 114 N -0.0038 0.0069 0.0007 981 PRO 114 CA -0.0032 0.0065 0.0003 982 PRO 114 C -0.0027 0.0068 0.0010 983 PRO 114 O -0.0022 0.0070 0.0018 984 PRO 114 CB -0.0024 0.0060 -0.0002 985 PRO 114 CG -0.0021 0.0063 0.0003 986 PRO 114 CD -0.0032 0.0067 0.0007 987 PRO 114 HA -0.0038 0.0064 -0.0002 988 PRO 114 HB3 -0.0027 0.0057 -0.0010 989 PRO 114 HB2 -0.0017 0.0058 -0.0003 990 PRO 114 HG3 -0.0018 0.0060 -0.0001 991 PRO 114 HG2 -0.0016 0.0064 0.0009 992 PRO 114 HD2 -0.0030 0.0070 0.0014 993 PRO 114 HD3 -0.0036 0.0065 0.0002 994 ILE 115 N -0.0029 0.0067 0.0009 995 ILE 115 CA -0.0024 0.0069 0.0015 996 ILE 115 C -0.0013 0.0065 0.0011 997 ILE 115 O -0.0013 0.0060 0.0002 998 ILE 115 CB -0.0030 0.0070 0.0014 999 ILE 115 CG1 -0.0042 0.0074 0.0016 1000 ILE 115 CG2 -0.0025 0.0072 0.0020 1001 ILE 115 CD1 -0.0049 0.0075 0.0014 1002 ILE 115 H -0.0033 0.0065 0.0002 1003 ILE 115 HA -0.0023 0.0073 0.0022 1004 ILE 115 HB -0.0031 0.0066 0.0006 1005 ILE 115 HG13 -0.0046 0.0073 0.0012 1006 ILE 115 HG12 -0.0042 0.0078 0.0023 1007 ILE 115 HG21 -0.0029 0.0073 0.0019 1008 ILE 115 HG22 -0.0017 0.0069 0.0018 1009 ILE 115 HG23 -0.0024 0.0076 0.0027 1010 ILE 115 HD11 -0.0056 0.0074 0.0010 1011 ILE 115 HD12 -0.0045 0.0072 0.0011 1012 ILE 115 HD13 -0.0051 0.0079 0.0021 1013 GLN 116 N 0.0022 0.0089 0.0017 1014 GLN 116 CA 0.0044 0.0078 0.0014 1015 GLN 116 C 0.0052 0.0080 0.0021 1016 GLN 116 O 0.0048 0.0093 0.0036 1017 GLN 116 CB 0.0060 0.0080 0.0025 1018 GLN 116 CG 0.0050 0.0080 0.0020 1019 GLN 116 CD 0.0067 0.0071 0.0017 1020 GLN 116 OE1 0.0086 0.0071 0.0026 1021 GLN 116 NE2 0.0061 0.0064 0.0005 1022 GLN 116 H 0.0022 0.0099 0.0031 1023 GLN 116 HA 0.0044 0.0066 -0.0001 1024 GLN 116 HB3 0.0076 0.0070 0.0021 1025 GLN 116 HB2 0.0063 0.0090 0.0040 1026 GLN 116 HG3 0.0043 0.0092 0.0032 1027 GLN 116 HG2 0.0037 0.0076 0.0007 1028 GLN 116 HE22 0.0072 0.0058 0.0002 1029 GLN 116 HE21 0.0045 0.0064 -0.0004 1030 GLN 117 N 0.0062 0.0068 0.0010 1031 GLN 117 CA 0.0070 0.0068 0.0014 1032 GLN 117 C 0.0095 0.0058 0.0014 1033 GLN 117 O 0.0101 0.0045 0.0000 1034 GLN 117 CB 0.0057 0.0062 -0.0001 1035 GLN 117 CG 0.0033 0.0072 0.0001 1036 GLN 117 CD 0.0031 0.0087 0.0019 1037 GLN 117 OE1 0.0047 0.0088 0.0029 1038 GLN 117 NE2 0.0012 0.0098 0.0024 1039 GLN 117 H 0.0065 0.0057 -0.0002 1040 GLN 117 HA 0.0069 0.0079 0.0028 1041 GLN 117 HB3 0.0066 0.0059 0.0001 1042 GLN 117 HB2 0.0058 0.0051 -0.0015 1043 GLN 117 HG3 0.0025 0.0066 -0.0011 1044 GLN 117 HG2 0.0024 0.0075 -0.0000 1045 GLN 117 HE22 0.0011 0.0107 0.0036 1046 GLN 117 HE21 -0.0001 0.0098 0.0017 1047 GLU 118 N 0.0127 0.0036 0.0001 1048 GLU 118 CA 0.0125 0.0023 0.0005 1049 GLU 118 C 0.0121 0.0014 -0.0004 1050 GLU 118 O 0.0119 0.0014 -0.0016 1051 GLU 118 CB 0.0124 0.0019 0.0005 1052 GLU 118 CG 0.0127 0.0022 0.0017 1053 GLU 118 CD 0.0126 0.0016 0.0017 1054 GLU 118 OE1 0.0123 0.0013 0.0007 1055 GLU 118 OE2 0.0128 0.0013 0.0028 1056 GLU 118 H 0.0126 0.0040 -0.0004 1057 GLU 118 HA 0.0126 0.0021 0.0015 1058 GLU 118 HB3 0.0121 0.0009 0.0003 1059 GLU 118 HB2 0.0123 0.0025 -0.0003 1060 GLU 118 HG3 0.0130 0.0032 0.0019 1061 GLU 118 HG2 0.0128 0.0018 0.0026 1062 ILE 119 N 0.0121 0.0008 0.0001 1063 ILE 119 CA 0.0118 -0.0001 -0.0006 1064 ILE 119 C 0.0116 -0.0015 0.0001 1065 ILE 119 O 0.0118 -0.0016 0.0012 1066 ILE 119 CB 0.0119 0.0004 -0.0006 1067 ILE 119 CG1 0.0119 0.0016 -0.0014 1068 ILE 119 CG2 0.0116 -0.0006 -0.0008 1069 ILE 119 CD1 0.0116 0.0015 -0.0029 1070 ILE 119 H 0.0123 0.0008 0.0011 1071 ILE 119 HA 0.0115 -0.0001 -0.0016 1072 ILE 119 HB 0.0121 0.0007 0.0004 1073 ILE 119 HG13 0.0120 0.0020 -0.0013 1074 ILE 119 HG12 0.0121 0.0024 -0.0011 1075 ILE 119 HG21 0.0117 -0.0001 -0.0009 1076 ILE 119 HG22 0.0116 -0.0013 -0.0001 1077 ILE 119 HG23 0.0113 -0.0011 -0.0017 1078 ILE 119 HD11 0.0116 0.0022 -0.0035 1079 ILE 119 HD12 0.0113 0.0006 -0.0032 1080 ILE 119 HD13 0.0115 0.0015 -0.0031 1081 LEU 120 N 0.0103 -0.0069 0.0004 1082 LEU 120 CA 0.0101 -0.0073 0.0006 1083 LEU 120 C 0.0100 -0.0076 0.0008 1084 LEU 120 O 0.0100 -0.0075 0.0006 1085 LEU 120 CB 0.0097 -0.0075 0.0002 1086 LEU 120 CG 0.0097 -0.0073 -0.0001 1087 LEU 120 CD1 0.0094 -0.0075 -0.0005 1088 LEU 120 CD2 0.0099 -0.0074 0.0003 1089 LEU 120 H 0.0102 -0.0068 0.0001 1090 LEU 120 HA 0.0102 -0.0074 0.0008 1091 LEU 120 HB3 0.0096 -0.0079 0.0003 1092 LEU 120 HB2 0.0096 -0.0075 -0.0001 1093 LEU 120 HG 0.0099 -0.0070 -0.0002 1094 LEU 120 HD11 0.0094 -0.0073 -0.0007 1095 LEU 120 HD12 0.0093 -0.0074 -0.0007 1096 LEU 120 HD13 0.0092 -0.0078 -0.0004 1097 LEU 120 HD21 0.0098 -0.0074 0.0001 1098 LEU 120 HD22 0.0098 -0.0077 0.0005 1099 LEU 120 HD23 0.0101 -0.0072 0.0005 1100 VAL 121 N 0.0100 -0.0079 0.0012 1101 VAL 121 CA 0.0099 -0.0082 0.0014 1102 VAL 121 C 0.0097 -0.0087 0.0016 1103 VAL 121 O 0.0097 -0.0087 0.0016 1104 VAL 121 CB 0.0102 -0.0081 0.0019 1105 VAL 121 CG1 0.0105 -0.0077 0.0017 1106 VAL 121 CG2 0.0104 -0.0081 0.0022 1107 VAL 121 H 0.0101 -0.0079 0.0013 1108 VAL 121 HA 0.0098 -0.0082 0.0012 1109 VAL 121 HB 0.0101 -0.0084 0.0020 1110 VAL 121 HG11 0.0107 -0.0076 0.0020 1111 VAL 121 HG12 0.0103 -0.0077 0.0015 1112 VAL 121 HG13 0.0106 -0.0074 0.0016 1113 VAL 121 HG21 0.0107 -0.0080 0.0025 1114 VAL 121 HG22 0.0105 -0.0079 0.0021 1115 VAL 121 HG23 0.0103 -0.0084 0.0024 1116 LEU 122 N 0.0073 -0.0091 0.0028 1117 LEU 122 CA 0.0059 -0.0075 0.0027 1118 LEU 122 C 0.0050 -0.0068 0.0023 1119 LEU 122 O 0.0056 -0.0064 0.0033 1120 LEU 122 CB 0.0064 -0.0062 0.0043 1121 LEU 122 CG 0.0073 -0.0067 0.0048 1122 LEU 122 CD1 0.0079 -0.0054 0.0065 1123 LEU 122 CD2 0.0063 -0.0070 0.0036 1124 LEU 122 H 0.0082 -0.0089 0.0038 1125 LEU 122 HA 0.0052 -0.0078 0.0017 1126 LEU 122 HB3 0.0054 -0.0049 0.0043 1127 LEU 122 HB2 0.0072 -0.0060 0.0053 1128 LEU 122 HG 0.0084 -0.0080 0.0049 1129 LEU 122 HD11 0.0091 -0.0060 0.0072 1130 LEU 122 HD12 0.0080 -0.0046 0.0073 1131 LEU 122 HD13 0.0071 -0.0044 0.0065 1132 LEU 122 HD21 0.0070 -0.0073 0.0039 1133 LEU 122 HD22 0.0052 -0.0058 0.0035 1134 LEU 122 HD23 0.0060 -0.0080 0.0024 1135 ARG 123 N 0.0034 -0.0065 0.0010 1136 ARG 123 CA 0.0023 -0.0054 0.0008 1137 ARG 123 C 0.0012 -0.0037 0.0011 1138 ARG 123 O 0.0007 -0.0036 0.0007 1139 ARG 123 CB 0.0014 -0.0064 -0.0010 1140 ARG 123 CG 0.0002 -0.0053 -0.0012 1141 ARG 123 CD -0.0003 -0.0063 -0.0027 1142 ARG 123 NE 0.0010 -0.0078 -0.0025 1143 ARG 123 CZ 0.0021 -0.0078 -0.0015 1144 ARG 123 NH1 0.0019 -0.0064 -0.0005 1145 ARG 123 NH2 0.0033 -0.0093 -0.0016 1146 ARG 123 H 0.0029 -0.0068 0.0003 1147 ARG 123 HA 0.0030 -0.0053 0.0016 1148 ARG 123 HB3 0.0007 -0.0066 -0.0019 1149 ARG 123 HB2 0.0023 -0.0077 -0.0012 1150 ARG 123 HG3 0.0008 -0.0047 -0.0001 1151 ARG 123 HG2 -0.0008 -0.0042 -0.0014 1152 ARG 123 HD3 -0.0011 -0.0054 -0.0027 1153 ARG 123 HD2 -0.0010 -0.0068 -0.0038 1154 ARG 123 HH22 0.0041 -0.0093 -0.0008 1155 ARG 123 HH21 0.0035 -0.0104 -0.0023 1156 ARG 123 HH12 0.0027 -0.0064 0.0003 1157 ARG 123 HH11 0.0010 -0.0052 -0.0004 1158 ARG 123 HE 0.0013 -0.0089 -0.0033 1159 ARG 124 N -0.0062 0.0031 0.0012 1160 ARG 124 CA -0.0064 0.0046 0.0011 1161 ARG 124 C -0.0090 0.0032 0.0011 1162 ARG 124 O -0.0115 0.0030 0.0010 1163 ARG 124 CB -0.0069 0.0080 0.0010 1164 ARG 124 CG -0.0043 0.0096 0.0011 1165 ARG 124 CD -0.0049 0.0130 0.0010 1166 ARG 124 NE -0.0027 0.0143 0.0010 1167 ARG 124 CZ 0.0002 0.0150 0.0011 1168 ARG 124 NH1 0.0016 0.0145 0.0012 1169 ARG 124 NH2 0.0017 0.0162 0.0012 1170 ARG 124 H -0.0068 0.0044 0.0011 1171 ARG 124 HA -0.0043 0.0042 0.0012 1172 ARG 124 HB3 -0.0072 0.0091 0.0010 1173 ARG 124 HB2 -0.0090 0.0084 0.0009 1174 ARG 124 HG3 -0.0039 0.0085 0.0011 1175 ARG 124 HG2 -0.0023 0.0092 0.0012 1176 ARG 124 HD3 -0.0045 0.0141 0.0010 1177 ARG 124 HD2 -0.0072 0.0135 0.0009 1178 ARG 124 HH22 0.0038 0.0170 0.0012 1179 ARG 124 HH21 0.0005 0.0163 0.0011 1180 ARG 124 HH12 0.0038 0.0149 0.0013 1181 ARG 124 HH11 0.0005 0.0136 0.0012 1182 ARG 124 HE -0.0038 0.0149 0.0010 1183 GLU 125 N -0.0083 0.0023 0.0011 1184 GLU 125 CA -0.0105 0.0011 0.0011 1185 GLU 125 C -0.0097 0.0023 0.0011 1186 GLU 125 O -0.0073 0.0014 0.0012 1187 GLU 125 CB -0.0106 -0.0024 0.0012 1188 GLU 125 CG -0.0129 -0.0038 0.0011 1189 GLU 125 CD -0.0133 -0.0072 0.0012 1190 GLU 125 OE1 -0.0140 -0.0081 0.0012 1191 GLU 125 OE2 -0.0131 -0.0089 0.0013 1192 GLU 125 H -0.0062 0.0027 0.0012 1193 GLU 125 HA -0.0128 0.0018 0.0010 1194 GLU 125 HB3 -0.0084 -0.0033 0.0013 1195 GLU 125 HB2 -0.0112 -0.0030 0.0012 1196 GLU 125 HG3 -0.0151 -0.0027 0.0010 1197 GLU 125 HG2 -0.0123 -0.0033 0.0011 1198 PRO 126 N -0.0187 0.0065 0.0002 1199 PRO 126 CA -0.0264 0.0095 -0.0017 1200 PRO 126 C -0.0256 0.0141 -0.0021 1201 PRO 126 O -0.0188 0.0161 -0.0011 1202 PRO 126 CB -0.0293 0.0151 -0.0029 1203 PRO 126 CG -0.0217 0.0179 -0.0018 1204 PRO 126 CD -0.0164 0.0105 0.0001 1205 PRO 126 HA -0.0307 0.0044 -0.0018 1206 PRO 126 HB3 -0.0332 0.0116 -0.0032 1207 PRO 126 HB2 -0.0328 0.0202 -0.0042 1208 PRO 126 HG3 -0.0228 0.0199 -0.0023 1209 PRO 126 HG2 -0.0189 0.0230 -0.0020 1210 PRO 126 HD2 -0.0100 0.0124 0.0011 1211 PRO 126 HD3 -0.0175 0.0064 0.0004 1212 PRO 127 N -0.0324 0.0156 -0.0036 1213 PRO 127 CA -0.0324 0.0205 -0.0042 1214 PRO 127 C -0.0279 0.0288 -0.0044 1215 PRO 127 O -0.0283 0.0326 -0.0049 1216 PRO 127 CB -0.0414 0.0215 -0.0060 1217 PRO 127 CG -0.0455 0.0141 -0.0059 1218 PRO 127 CD -0.0406 0.0130 -0.0048 1219 PRO 127 HA -0.0296 0.0169 -0.0032 1220 PRO 127 HB3 -0.0425 0.0220 -0.0063 1221 PRO 127 HB2 -0.0436 0.0271 -0.0072 1222 PRO 127 HG3 -0.0448 0.0089 -0.0051 1223 PRO 127 HG2 -0.0519 0.0148 -0.0072 1224 PRO 127 HD2 -0.0429 0.0169 -0.0057 1225 PRO 127 HD3 -0.0411 0.0067 -0.0041 1226 HIS 128 N -0.0282 0.0269 -0.0020 1227 HIS 128 CA -0.0230 0.0347 -0.0017 1228 HIS 128 C -0.0153 0.0340 -0.0011 1229 HIS 128 O -0.0105 0.0403 -0.0009 1230 HIS 128 CB -0.0284 0.0429 -0.0024 1231 HIS 128 CG -0.0367 0.0436 -0.0031 1232 HIS 128 ND1 -0.0374 0.0415 -0.0031 1233 HIS 128 CD2 -0.0449 0.0460 -0.0038 1234 HIS 128 CE1 -0.0455 0.0425 -0.0037 1235 HIS 128 NE2 -0.0505 0.0453 -0.0042 1236 HIS 128 H -0.0283 0.0241 -0.0019 1237 HIS 128 HA -0.0202 0.0355 -0.0015 1238 HIS 128 HB3 -0.0246 0.0486 -0.0022 1239 HIS 128 HB2 -0.0301 0.0432 -0.0025 1240 HIS 128 HD1 -0.0327 0.0388 -0.0026 1241 HIS 128 HD2 -0.0471 0.0481 -0.0040 1242 HIS 128 HE1 -0.0479 0.0411 -0.0039 1243 SER 129 N -0.0139 0.0265 -0.0008 1244 SER 129 CA -0.0067 0.0250 -0.0002 1245 SER 129 C 0.0020 0.0258 0.0005 1246 SER 129 O 0.0034 0.0213 0.0007 1247 SER 129 CB -0.0074 0.0162 -0.0000 1248 SER 129 OG -0.0003 0.0150 0.0006 1249 SER 129 H -0.0181 0.0216 -0.0010 1250 SER 129 HA -0.0074 0.0299 -0.0003 1251 SER 129 HB3 -0.0076 0.0110 0.0001 1252 SER 129 HB2 -0.0133 0.0158 -0.0005 1253 SER 129 HG -0.0012 0.0096 0.0007 1254 PRO 130 N -0.0019 0.0175 -0.0079 1255 PRO 130 CA 0.0007 0.0176 -0.0075 1256 PRO 130 C 0.0035 0.0144 -0.0047 1257 PRO 130 O 0.0046 0.0136 -0.0040 1258 PRO 130 CB 0.0034 0.0213 -0.0097 1259 PRO 130 CG 0.0041 0.0219 -0.0100 1260 PRO 130 CD -0.0002 0.0203 -0.0096 1261 PRO 130 HA -0.0015 0.0176 -0.0079 1262 PRO 130 HB3 0.0014 0.0233 -0.0114 1263 PRO 130 HB2 0.0064 0.0214 -0.0092 1264 PRO 130 HG3 0.0050 0.0248 -0.0119 1265 PRO 130 HG2 0.0068 0.0204 -0.0085 1266 PRO 130 HD2 0.0004 0.0192 -0.0087 1267 PRO 130 HD3 -0.0025 0.0223 -0.0114 1268 ASN 131 N 0.0045 0.0126 -0.0033 1269 ASN 131 CA 0.0082 0.0103 -0.0010 1270 ASN 131 C 0.0072 0.0066 0.0014 1271 ASN 131 O 0.0103 0.0047 0.0033 1272 ASN 131 CB 0.0124 0.0125 -0.0019 1273 ASN 131 CG 0.0124 0.0133 -0.0024 1274 ASN 131 OD1 0.0091 0.0130 -0.0028 1275 ASN 131 ND2 0.0163 0.0145 -0.0026 1276 ASN 131 H 0.0033 0.0132 -0.0039 1277 ASN 131 HA 0.0089 0.0095 -0.0003 1278 ASN 131 HB3 0.0130 0.0151 -0.0036 1279 ASN 131 HB2 0.0152 0.0110 -0.0003 1280 ASN 131 HD22 0.0163 0.0151 -0.0031 1281 ASN 131 HD21 0.0190 0.0148 -0.0024 1282 SER 132 N 0.0041 0.0051 0.0032 1283 SER 132 CA 0.0030 0.0028 0.0031 1284 SER 132 C 0.0014 0.0013 0.0027 1285 SER 132 O -0.0002 0.0023 0.0020 1286 SER 132 CB 0.0018 0.0036 0.0026 1287 SER 132 OG -0.0003 0.0050 0.0016 1288 SER 132 H 0.0029 0.0060 0.0026 1289 SER 132 HA 0.0045 0.0016 0.0038 1290 SER 132 HB3 0.0031 0.0048 0.0029 1291 SER 132 HB2 0.0013 0.0019 0.0026 1292 SER 132 HG -0.0016 0.0038 0.0013 1293 PHE 133 N 0.0020 -0.0012 0.0033 1294 PHE 133 CA 0.0008 -0.0029 0.0031 1295 PHE 133 C -0.0000 -0.0054 0.0032 1296 PHE 133 O 0.0009 -0.0061 0.0036 1297 PHE 133 CB 0.0026 -0.0034 0.0038 1298 PHE 133 CG 0.0035 -0.0011 0.0038 1299 PHE 133 CD1 0.0055 0.0005 0.0043 1300 PHE 133 CD2 0.0023 -0.0004 0.0033 1301 PHE 133 CE1 0.0062 0.0026 0.0043 1302 PHE 133 CE2 0.0031 0.0017 0.0033 1303 PHE 133 CZ 0.0051 0.0033 0.0038 1304 PHE 133 H 0.0034 -0.0019 0.0039 1305 PHE 133 HA -0.0008 -0.0020 0.0024 1306 PHE 133 HB3 0.0017 -0.0048 0.0037 1307 PHE 133 HB2 0.0042 -0.0043 0.0045 1308 PHE 133 HD1 0.0064 -0.0000 0.0047 1309 PHE 133 HD2 0.0008 -0.0015 0.0029 1310 PHE 133 HE1 0.0077 0.0039 0.0046 1311 PHE 133 HE2 0.0022 0.0023 0.0029 1312 PHE 133 HZ 0.0057 0.0049 0.0038 1313 ARG 134 N 0.0016 -0.0059 0.0045 1314 ARG 134 CA 0.0016 -0.0070 0.0037 1315 ARG 134 C 0.0028 -0.0073 0.0036 1316 ARG 134 O 0.0032 -0.0068 0.0040 1317 ARG 134 CB 0.0004 -0.0073 0.0033 1318 ARG 134 CG 0.0003 -0.0084 0.0024 1319 ARG 134 CD -0.0008 -0.0087 0.0020 1320 ARG 134 NE -0.0020 -0.0085 0.0020 1321 ARG 134 CZ -0.0028 -0.0090 0.0015 1322 ARG 134 NH1 -0.0025 -0.0100 0.0008 1323 ARG 134 NH2 -0.0039 -0.0086 0.0016 1324 ARG 134 H 0.0018 -0.0055 0.0048 1325 ARG 134 HA 0.0017 -0.0074 0.0034 1326 ARG 134 HB3 0.0004 -0.0069 0.0035 1327 ARG 134 HB2 -0.0004 -0.0069 0.0034 1328 ARG 134 HG3 0.0001 -0.0087 0.0022 1329 ARG 134 HG2 0.0012 -0.0089 0.0022 1330 ARG 134 HD3 -0.0006 -0.0095 0.0014 1331 ARG 134 HD2 -0.0008 -0.0083 0.0023 1332 ARG 134 HH22 -0.0047 -0.0089 0.0012 1333 ARG 134 HH21 -0.0040 -0.0078 0.0022 1334 ARG 134 HH12 -0.0032 -0.0105 0.0003 1335 ARG 134 HH11 -0.0017 -0.0103 0.0007 1336 ARG 134 HE -0.0023 -0.0077 0.0025 1337 LEU 135 N 0.0033 -0.0083 0.0030 1338 LEU 135 CA 0.0042 -0.0088 0.0027 1339 LEU 135 C 0.0036 -0.0091 0.0024 1340 LEU 135 O 0.0027 -0.0095 0.0020 1341 LEU 135 CB 0.0048 -0.0099 0.0020 1342 LEU 135 CG 0.0058 -0.0098 0.0023 1343 LEU 135 CD1 0.0062 -0.0108 0.0015 1344 LEU 135 CD2 0.0070 -0.0094 0.0028 1345 LEU 135 H 0.0030 -0.0087 0.0026 1346 LEU 135 HA 0.0050 -0.0084 0.0032 1347 LEU 135 HB3 0.0052 -0.0104 0.0017 1348 LEU 135 HB2 0.0040 -0.0102 0.0016 1349 LEU 135 HG 0.0054 -0.0093 0.0026 1350 LEU 135 HD11 0.0068 -0.0108 0.0017 1351 LEU 135 HD12 0.0054 -0.0112 0.0012 1352 LEU 135 HD13 0.0066 -0.0114 0.0012 1353 LEU 135 HD21 0.0076 -0.0092 0.0030 1354 LEU 135 HD22 0.0075 -0.0099 0.0024 1355 LEU 135 HD23 0.0068 -0.0087 0.0032 1356 GLU 136 N 0.0077 -0.0091 0.0024 1357 GLU 136 CA 0.0078 -0.0088 0.0029 1358 GLU 136 C 0.0084 -0.0083 0.0024 1359 GLU 136 O 0.0089 -0.0080 0.0021 1360 GLU 136 CB 0.0076 -0.0083 0.0037 1361 GLU 136 CG 0.0077 -0.0078 0.0043 1362 GLU 136 CD 0.0074 -0.0075 0.0051 1363 GLU 136 OE1 0.0078 -0.0068 0.0054 1364 GLU 136 OE2 0.0068 -0.0079 0.0056 1365 GLU 136 H 0.0081 -0.0088 0.0023 1366 GLU 136 HA 0.0074 -0.0092 0.0029 1367 GLU 136 HB3 0.0079 -0.0080 0.0037 1368 GLU 136 HB2 0.0071 -0.0087 0.0040 1369 GLU 136 HG3 0.0075 -0.0081 0.0042 1370 GLU 136 HG2 0.0082 -0.0074 0.0040 1371 LYS 137 N 0.0085 -0.0083 0.0024 1372 LYS 137 CA 0.0091 -0.0078 0.0020 1373 LYS 137 C 0.0092 -0.0071 0.0026 1374 LYS 137 O 0.0089 -0.0072 0.0032 1375 LYS 137 CB 0.0090 -0.0083 0.0014 1376 LYS 137 CG 0.0097 -0.0079 0.0008 1377 LYS 137 CD 0.0097 -0.0082 0.0004 1378 LYS 137 CE 0.0094 -0.0090 -0.0002 1379 LYS 137 NZ 0.0096 -0.0091 -0.0006 1380 LYS 137 H 0.0081 -0.0085 0.0027 1381 LYS 137 HA 0.0095 -0.0076 0.0016 1382 LYS 137 HB3 0.0088 -0.0084 0.0018 1383 LYS 137 HB2 0.0088 -0.0088 0.0011 1384 LYS 137 HG3 0.0099 -0.0080 0.0003 1385 LYS 137 HG2 0.0100 -0.0073 0.0011 1386 LYS 137 HD3 0.0102 -0.0078 -0.0000 1387 LYS 137 HD2 0.0096 -0.0080 0.0008 1388 LYS 137 HE3 0.0089 -0.0094 0.0002 1389 LYS 137 HE2 0.0096 -0.0091 -0.0007 1390 LYS 137 HZ1 0.0094 -0.0090 -0.0002 1391 LYS 137 HZ2 0.0101 -0.0087 -0.0008 1392 LYS 137 HZ3 0.0095 -0.0096 -0.0010 1393 ILE 138 N 0.0129 -0.0045 0.0029 1394 ILE 138 CA 0.0135 -0.0033 0.0038 1395 ILE 138 C 0.0133 -0.0012 0.0029 1396 ILE 138 O 0.0126 -0.0009 0.0015 1397 ILE 138 CB 0.0133 -0.0043 0.0038 1398 ILE 138 CG1 0.0123 -0.0046 0.0019 1399 ILE 138 CG2 0.0137 -0.0062 0.0049 1400 ILE 138 CD1 0.0123 -0.0049 0.0018 1401 ILE 138 H 0.0122 -0.0044 0.0016 1402 ILE 138 HA 0.0142 -0.0031 0.0052 1403 ILE 138 HB 0.0138 -0.0033 0.0044 1404 ILE 138 HG13 0.0120 -0.0033 0.0010 1405 ILE 138 HG12 0.0119 -0.0058 0.0014 1406 ILE 138 HG21 0.0137 -0.0068 0.0051 1407 ILE 138 HG22 0.0144 -0.0060 0.0062 1408 ILE 138 HG23 0.0133 -0.0073 0.0043 1409 ILE 138 HD11 0.0116 -0.0048 0.0005 1410 ILE 138 HD12 0.0127 -0.0037 0.0025 1411 ILE 138 HD13 0.0124 -0.0063 0.0024 1412 LEU 139 N 0.0138 0.0001 0.0037 1413 LEU 139 CA 0.0138 0.0021 0.0031 1414 LEU 139 C 0.0136 0.0025 0.0026 1415 LEU 139 O 0.0142 0.0022 0.0038 1416 LEU 139 CB 0.0147 0.0034 0.0045 1417 LEU 139 CG 0.0147 0.0055 0.0039 1418 LEU 139 CD1 0.0140 0.0056 0.0027 1419 LEU 139 CD2 0.0156 0.0067 0.0055 1420 LEU 139 H 0.0143 -0.0003 0.0047 1421 LEU 139 HA 0.0132 0.0024 0.0019 1422 LEU 139 HB3 0.0152 0.0034 0.0055 1423 LEU 139 HB2 0.0149 0.0027 0.0052 1424 LEU 139 HG 0.0144 0.0061 0.0032 1425 LEU 139 HD11 0.0144 0.0067 0.0031 1426 LEU 139 HD12 0.0134 0.0060 0.0014 1427 LEU 139 HD13 0.0138 0.0042 0.0027 1428 LEU 139 HD21 0.0156 0.0082 0.0051 1429 LEU 139 HD22 0.0160 0.0061 0.0063 1430 LEU 139 HD23 0.0161 0.0067 0.0064 1431 VAL 140 N 0.0115 0.0039 0.0015 1432 VAL 140 CA 0.0104 0.0038 -0.0000 1433 VAL 140 C 0.0088 0.0049 0.0003 1434 VAL 140 O 0.0085 0.0054 0.0010 1435 VAL 140 CB 0.0107 0.0032 -0.0013 1436 VAL 140 CG1 0.0095 0.0032 -0.0029 1437 VAL 140 CG2 0.0123 0.0021 -0.0017 1438 VAL 140 H 0.0115 0.0040 0.0020 1439 VAL 140 HA 0.0106 0.0036 -0.0005 1440 VAL 140 HB 0.0107 0.0034 -0.0007 1441 VAL 140 HG11 0.0099 0.0027 -0.0037 1442 VAL 140 HG12 0.0084 0.0039 -0.0027 1443 VAL 140 HG13 0.0095 0.0030 -0.0035 1444 VAL 140 HG21 0.0125 0.0016 -0.0026 1445 VAL 140 HG22 0.0124 0.0018 -0.0022 1446 VAL 140 HG23 0.0132 0.0020 -0.0006 1447 SER 141 N 0.0078 0.0052 -0.0004 1448 SER 141 CA 0.0062 0.0061 -0.0004 1449 SER 141 C 0.0054 0.0060 -0.0019 1450 SER 141 O 0.0054 0.0054 -0.0032 1451 SER 141 CB 0.0055 0.0065 -0.0005 1452 SER 141 OG 0.0059 0.0069 0.0010 1453 SER 141 H 0.0082 0.0047 -0.0011 1454 SER 141 HA 0.0060 0.0067 0.0007 1455 SER 141 HB3 0.0042 0.0071 -0.0008 1456 SER 141 HB2 0.0058 0.0059 -0.0014 1457 SER 141 HG 0.0070 0.0064 0.0013 1458 VAL 142 N 0.0024 0.0074 -0.0019 1459 VAL 142 CA 0.0019 0.0073 -0.0024 1460 VAL 142 C 0.0002 0.0074 -0.0026 1461 VAL 142 O -0.0003 0.0073 -0.0032 1462 VAL 142 CB 0.0024 0.0076 -0.0015 1463 VAL 142 CG1 0.0040 0.0074 -0.0015 1464 VAL 142 CG2 0.0019 0.0082 -0.0000 1465 VAL 142 H 0.0023 0.0078 -0.0009 1466 VAL 142 HA 0.0023 0.0068 -0.0034 1467 VAL 142 HB 0.0019 0.0075 -0.0018 1468 VAL 142 HG11 0.0043 0.0076 -0.0009 1469 VAL 142 HG12 0.0043 0.0069 -0.0025 1470 VAL 142 HG13 0.0046 0.0074 -0.0012 1471 VAL 142 HG21 0.0023 0.0084 0.0006 1472 VAL 142 HG22 0.0024 0.0083 0.0004 1473 VAL 142 HG23 0.0008 0.0084 0.0000 1474 GLY 143 N -0.0005 0.0077 -0.0022 1475 GLY 143 CA -0.0021 0.0078 -0.0024 1476 GLY 143 C -0.0025 0.0083 -0.0014 1477 GLY 143 O -0.0017 0.0084 -0.0007 1478 GLY 143 H -0.0000 0.0078 -0.0018 1479 GLY 143 HA3 -0.0025 0.0080 -0.0022 1480 GLY 143 HA2 -0.0024 0.0075 -0.0034 1481 CYS 144 N -0.0060 0.0053 -0.0005 1482 CYS 144 CA -0.0063 0.0052 -0.0003 1483 CYS 144 C -0.0063 0.0050 -0.0001 1484 CYS 144 O -0.0061 0.0050 -0.0001 1485 CYS 144 CB -0.0066 0.0053 -0.0005 1486 CYS 144 SG -0.0066 0.0055 -0.0008 1487 CYS 144 H -0.0059 0.0054 -0.0005 1488 CYS 144 HA -0.0063 0.0051 -0.0002 1489 CYS 144 HB3 -0.0068 0.0052 -0.0005 1490 CYS 144 HB2 -0.0066 0.0054 -0.0006 1491 THR 145 N -0.0065 0.0048 0.0001 1492 THR 145 CA -0.0065 0.0047 0.0003 1493 THR 145 C -0.0069 0.0046 0.0003 1494 THR 145 O -0.0071 0.0046 0.0002 1495 THR 145 CB -0.0063 0.0045 0.0005 1496 THR 145 OG1 -0.0063 0.0043 0.0007 1497 THR 145 CG2 -0.0064 0.0044 0.0006 1498 THR 145 H -0.0066 0.0048 0.0001 1499 THR 145 HA -0.0065 0.0047 0.0002 1500 THR 145 HB -0.0061 0.0046 0.0005 1501 THR 145 HG1 -0.0061 0.0044 0.0007 1502 THR 145 HG21 -0.0062 0.0043 0.0008 1503 THR 145 HG22 -0.0064 0.0045 0.0005 1504 THR 145 HG23 -0.0066 0.0043 0.0007 1505 CYS 146 N -0.0075 0.0006 -0.0008 1506 CYS 146 CA -0.0073 0.0018 -0.0002 1507 CYS 146 C -0.0071 0.0026 0.0003 1508 CYS 146 O -0.0077 0.0031 -0.0004 1509 CYS 146 CB -0.0079 0.0026 -0.0009 1510 CYS 146 SG -0.0077 0.0041 -0.0001 1511 CYS 146 H -0.0081 0.0007 -0.0016 1512 CYS 146 HA -0.0067 0.0015 0.0005 1513 CYS 146 HB3 -0.0085 0.0028 -0.0016 1514 CYS 146 HB2 -0.0080 0.0019 -0.0012 1515 VAL 147 N -0.0063 0.0028 0.0014 1516 VAL 147 CA -0.0060 0.0035 0.0020 1517 VAL 147 C -0.0057 0.0047 0.0028 1518 VAL 147 O -0.0054 0.0047 0.0032 1519 VAL 147 CB -0.0053 0.0026 0.0028 1520 VAL 147 CG1 -0.0056 0.0015 0.0020 1521 VAL 147 CG2 -0.0046 0.0020 0.0037 1522 VAL 147 H -0.0059 0.0024 0.0019 1523 VAL 147 HA -0.0066 0.0040 0.0014 1524 VAL 147 HB -0.0052 0.0033 0.0032 1525 VAL 147 HG11 -0.0052 0.0009 0.0026 1526 VAL 147 HG12 -0.0061 0.0019 0.0015 1527 VAL 147 HG13 -0.0059 0.0008 0.0016 1528 VAL 147 HG21 -0.0041 0.0013 0.0041 1529 VAL 147 HG22 -0.0047 0.0014 0.0033 1530 VAL 147 HG23 -0.0042 0.0028 0.0043 1531 THR 148 N -0.0049 0.0017 0.0028 1532 THR 148 CA -0.0009 0.0053 0.0046 1533 THR 148 C 0.0029 0.0035 0.0075 1534 THR 148 O 0.0019 0.0019 0.0072 1535 THR 148 CB -0.0018 0.0108 0.0027 1536 THR 148 OG1 -0.0032 0.0107 0.0018 1537 THR 148 CG2 -0.0054 0.0129 -0.0002 1538 THR 148 H -0.0071 0.0030 0.0010 1539 THR 148 HA -0.0000 0.0054 0.0051 1540 THR 148 HB 0.0012 0.0135 0.0040 1541 THR 148 HG1 -0.0006 0.0106 0.0035 1542 THR 148 HG21 -0.0060 0.0168 -0.0015 1543 THR 148 HG22 -0.0045 0.0133 0.0003 1544 THR 148 HG23 -0.0086 0.0105 -0.0017 1545 PRO 149 N 0.0070 0.0036 0.0102 1546 PRO 149 CA 0.0108 0.0023 0.0129 1547 PRO 149 C 0.0119 0.0060 0.0128 1548 PRO 149 O 0.0106 0.0103 0.0109 1549 PRO 149 CB 0.0147 0.0026 0.0154 1550 PRO 149 CG 0.0136 0.0063 0.0138 1551 PRO 149 CD 0.0085 0.0052 0.0107 1552 PRO 149 HA 0.0101 -0.0016 0.0134 1553 PRO 149 HB3 0.0148 -0.0012 0.0164 1554 PRO 149 HB2 0.0180 0.0038 0.0173 1555 PRO 149 HG3 0.0152 0.0059 0.0150 1556 PRO 149 HG2 0.0145 0.0103 0.0134 1557 PRO 149 HD2 0.0071 0.0085 0.0090 1558 PRO 149 HD3 0.0075 0.0019 0.0109 1559 ILE 150 N 0.0268 0.0080 0.0278 1560 ILE 150 CA 0.0239 0.0073 0.0186 1561 ILE 150 C 0.0319 0.0095 0.0215 1562 ILE 150 O 0.0311 0.0092 0.0316 1563 ILE 150 CB 0.0107 0.0035 0.0194 1564 ILE 150 CG1 0.0022 0.0011 0.0161 1565 ILE 150 CG2 0.0077 0.0027 0.0118 1566 ILE 150 CD1 0.0032 0.0014 0.0028 1567 ILE 150 H 0.0244 0.0073 0.0365 1568 ILE 150 HA 0.0258 0.0079 0.0093 1569 ILE 150 HB 0.0089 0.0029 0.0290 1570 ILE 150 HG13 -0.0069 -0.0016 0.0178 1571 ILE 150 HG12 0.0038 0.0015 0.0224 1572 ILE 150 HG21 -0.0018 -0.0001 0.0118 1573 ILE 150 HG22 0.0120 0.0039 0.0155 1574 ILE 150 HG23 0.0106 0.0035 0.0022 1575 ILE 150 HD11 -0.0051 -0.0009 -0.0003 1576 ILE 150 HD12 0.0055 0.0021 -0.0038 1577 ILE 150 HD13 0.0100 0.0034 0.0021 1578 VAL 151 N 0.0395 0.0118 0.0127 1579 VAL 151 CA 0.0483 0.0143 0.0143 1580 VAL 151 C 0.0447 0.0133 0.0062 1581 VAL 151 O 0.0411 0.0124 -0.0044 1582 VAL 151 CB 0.0608 0.0179 0.0102 1583 VAL 151 CG1 0.0706 0.0207 0.0114 1584 VAL 151 CG2 0.0644 0.0189 0.0173 1585 VAL 151 H 0.0396 0.0119 0.0045 1586 VAL 151 HA 0.0489 0.0144 0.0239 1587 VAL 151 HB 0.0603 0.0178 0.0004 1588 VAL 151 HG11 0.0793 0.0232 0.0089 1589 VAL 151 HG12 0.0692 0.0203 0.0055 1590 VAL 151 HG13 0.0714 0.0208 0.0209 1591 VAL 151 HG21 0.0732 0.0214 0.0146 1592 VAL 151 HG22 0.0646 0.0189 0.0272 1593 VAL 151 HG23 0.0583 0.0172 0.0157 1594 HIS 152 N 0.0266 -0.0174 0.0222 1595 HIS 152 CA 0.0191 -0.0227 0.0117 1596 HIS 152 C 0.0183 -0.0220 0.0123 1597 HIS 152 O 0.0206 -0.0159 0.0212 1598 HIS 152 CB 0.0057 -0.0199 0.0090 1599 HIS 152 CG -0.0023 -0.0103 0.0177 1600 HIS 152 ND1 0.0005 -0.0043 0.0270 1601 HIS 152 CD2 -0.0133 -0.0057 0.0185 1602 HIS 152 CE1 -0.0085 0.0034 0.0328 1603 HIS 152 NE2 -0.0172 0.0030 0.0281 1604 HIS 152 H 0.0271 -0.0131 0.0280 1605 HIS 152 HA 0.0244 -0.0294 0.0054 1606 HIS 152 HB3 0.0069 -0.0219 0.0070 1607 HIS 152 HB2 -0.0001 -0.0235 0.0016 1608 HIS 152 HD1 0.0080 -0.0055 0.0289 1609 HIS 152 HD2 -0.0187 -0.0081 0.0129 1610 HIS 152 HE1 -0.0088 0.0094 0.0404 1611 HIS 153 N 0.0152 -0.0282 0.0027 1612 HIS 153 CA 0.0119 -0.0278 0.0017 1613 HIS 153 C -0.0024 -0.0223 0.0020 1614 HIS 153 O -0.0098 -0.0216 -0.0006 1615 HIS 153 CB 0.0149 -0.0371 -0.0092 1616 HIS 153 CG 0.0156 -0.0382 -0.0103 1617 HIS 153 ND1 0.0048 -0.0368 -0.0135 1618 HIS 153 CD2 0.0260 -0.0407 -0.0086 1619 HIS 153 CE1 0.0090 -0.0383 -0.0135 1620 HIS 153 NE2 0.0217 -0.0406 -0.0105 1621 HIS 153 H 0.0122 -0.0323 -0.0042 1622 HIS 153 HA 0.0178 -0.0247 0.0085 1623 HIS 153 HB3 0.0078 -0.0399 -0.0161 1624 HIS 153 HB2 0.0242 -0.0413 -0.0102 1625 HIS 153 HD1 -0.0047 -0.0348 -0.0154 1626 HIS 153 HD2 0.0362 -0.0425 -0.0062 1627 HIS 153 HE1 0.0026 -0.0375 -0.0155 1628 VAL 154 N 0.0118 -0.0313 -0.0125 1629 VAL 154 CA 0.0106 -0.0320 -0.0114 1630 VAL 154 C 0.0064 -0.0420 -0.0001 1631 VAL 154 O -0.0003 -0.0454 0.0061 1632 VAL 154 CB 0.0006 -0.0219 -0.0166 1633 VAL 154 CG1 -0.0142 -0.0213 -0.0107 1634 VAL 154 CG2 0.0033 -0.0199 -0.0196 1635 VAL 154 H 0.0039 -0.0266 -0.0135 1636 VAL 154 HA 0.0204 -0.0326 -0.0150 1637 VAL 154 HB 0.0023 -0.0153 -0.0236 1638 VAL 154 HG11 -0.0204 -0.0135 -0.0153 1639 VAL 154 HG12 -0.0165 -0.0227 -0.0084 1640 VAL 154 HG13 -0.0173 -0.0269 -0.0040 1641 VAL 154 HG21 -0.0033 -0.0125 -0.0237 1642 VAL 154 HG22 0.0019 -0.0261 -0.0132 1643 VAL 154 HG23 0.0134 -0.0193 -0.0245 1644 ALA 155 N 0.0106 -0.0463 0.0022 1645 ALA 155 CA 0.0073 -0.0555 0.0123 1646 ALA 155 C -0.0021 -0.0525 0.0135 1647 ALA 155 O -0.0088 -0.0587 0.0223 1648 ALA 155 CB 0.0204 -0.0637 0.0144 1649 ALA 155 OXT -0.0012 -0.0446 0.0057 1650 ALA 155 H 0.0145 -0.0422 -0.0033 1651 ALA 155 HA 0.0020 -0.0590 0.0180 1652 ALA 155 HB1 0.0186 -0.0708 0.0219 1653 ALA 155 HB2 0.0265 -0.0660 0.0139 1654 ALA 155 HB3 0.0262 -0.0607 0.0091 1655 ASP 103 N 0.0137 -0.0242 0.0206 1656 ASP 103 CA 0.0209 -0.0319 0.0275 1657 ASP 103 C 0.0147 -0.0258 0.0343 1658 ASP 103 O 0.0195 -0.0312 0.0406 1659 ASP 103 CB 0.0301 -0.0409 0.0163 1660 ASP 103 CG 0.0380 -0.0487 0.0096 1661 ASP 103 OD1 0.0380 -0.0490 0.0149 1662 ASP 103 OD2 0.0445 -0.0550 -0.0006 1663 ASP 103 H 0.0137 -0.0236 0.0089 1664 ASP 103 HA 0.0247 -0.0363 0.0372 1665 ASP 103 HB2 0.0266 -0.0368 0.0066 1666 ASP 103 HB3 0.0350 -0.0462 0.0222 1667 ASN 57 N -0.0169 0.0160 -0.0151 1668 ASN 57 CA -0.0207 0.0206 -0.0216 1669 ASN 57 C -0.0238 0.0283 -0.0271 1670 ASN 57 O -0.0285 0.0304 -0.0349 1671 ASN 57 CB -0.0244 0.0122 -0.0274 1672 ASN 57 CG -0.0216 0.0036 -0.0225 1673 ASN 57 OD1 -0.0238 -0.0050 -0.0258 1674 ASN 57 ND2 -0.0168 0.0056 -0.0146 1675 ASN 57 H -0.0184 0.0126 -0.0175 1676 ASN 57 HA -0.0186 0.0251 -0.0183 1677 ASN 57 HXT -0.0216 0.0321 -0.0235 1678 ASN 57 HB2 -0.0270 0.0084 -0.0316 1679 ASN 57 HB3 -0.0270 0.0159 -0.0320 1680 ASN 57 HD22 -0.0150 -0.0000 -0.0115 1681 ASN 57 HD21 -0.0146 0.0123 -0.0112 1682 SER 64 N -0.0068 0.0091 0.0023 1683 SER 64 CA -0.0071 0.0077 0.0027 1684 SER 64 C -0.0073 0.0065 0.0014 1685 SER 64 O -0.0072 0.0068 0.0001 1686 SER 64 CB -0.0071 0.0079 0.0032 1687 SER 64 OG -0.0069 0.0085 0.0020 1688 SER 64 H1 -0.0067 0.0098 0.0032 1689 SER 64 H2 -0.0068 0.0089 0.0018 1690 SER 64 HA -0.0073 0.0072 0.0037 1691 SER 64 HB2 -0.0073 0.0069 0.0036 1692 SER 64 HB3 -0.0070 0.0087 0.0042 1693 SER 64 HG -0.0067 0.0092 0.0015 1694 ASP 65 N -0.0077 0.0051 0.0018 1695 ASP 65 CA -0.0079 0.0038 0.0009 1696 ASP 65 C -0.0080 0.0033 0.0002 1697 ASP 65 O -0.0083 0.0021 -0.0005 1698 ASP 65 CB -0.0083 0.0024 0.0016 1699 ASP 65 CG -0.0083 0.0026 0.0025 1700 ASP 65 OD1 -0.0080 0.0038 0.0023 1701 ASP 65 OD2 -0.0085 0.0016 0.0032 1702 ASP 65 H -0.0077 0.0051 0.0027 1703 ASP 65 HA -0.0078 0.0041 -0.0001 1704 ASP 65 HB2 -0.0084 0.0020 0.0025 1705 ASP 65 HB3 -0.0084 0.0015 0.0008 1706 TYR 85 N 0.0092 -0.0057 0.0032 1707 TYR 85 CA 0.0087 -0.0059 0.0044 1708 TYR 85 C 0.0088 -0.0061 0.0043 1709 TYR 85 O 0.0088 -0.0053 0.0038 1710 TYR 85 CB 0.0081 -0.0049 0.0050 1711 TYR 85 CG 0.0076 -0.0050 0.0062 1712 TYR 85 CD1 0.0073 -0.0055 0.0071 1713 TYR 85 CD2 0.0073 -0.0046 0.0065 1714 TYR 85 CE1 0.0069 -0.0056 0.0082 1715 TYR 85 CE2 0.0068 -0.0048 0.0077 1716 TYR 85 CZ 0.0066 -0.0053 0.0085 1717 TYR 85 OH 0.0061 -0.0053 0.0097 1718 TYR 85 H 0.0092 -0.0051 0.0027 1719 TYR 85 HA 0.0088 -0.0067 0.0048 1720 TYR 85 HB2 0.0081 -0.0048 0.0050 1721 TYR 85 HB3 0.0080 -0.0041 0.0046 1722 TYR 85 HD1 0.0075 -0.0058 0.0069 1723 TYR 85 HD2 0.0075 -0.0043 0.0059 1724 TYR 85 HE1 0.0067 -0.0060 0.0089 1725 TYR 85 HE2 0.0067 -0.0045 0.0079 1726 TYR 85 HH 0.0059 -0.0048 0.0098 1727 PHE 41 N 0.0051 0.0124 -0.0126 1728 PHE 41 CA 0.0052 0.0094 -0.0073 1729 PHE 41 C 0.0096 0.0116 -0.0035 1730 PHE 41 O 0.0118 0.0125 -0.0011 1731 PHE 41 CB 0.0035 0.0069 -0.0063 1732 PHE 41 CG -0.0010 0.0043 -0.0096 1733 PHE 41 CD1 -0.0041 0.0007 -0.0091 1734 PHE 41 CD2 -0.0021 0.0056 -0.0137 1735 PHE 41 CE1 -0.0082 -0.0015 -0.0124 1736 PHE 41 CE2 -0.0061 0.0033 -0.0170 1737 PHE 41 CZ -0.0092 -0.0002 -0.0163 1738 PHE 41 H 0.0066 0.0145 -0.0135 1739 PHE 41 HA 0.0032 0.0070 -0.0068 1740 PHE 41 HB3 0.0037 0.0047 -0.0023 1741 PHE 41 HB2 0.0053 0.0090 -0.0066 1742 PHE 41 HD1 -0.0033 -0.0003 -0.0061 1743 PHE 41 HD2 0.0003 0.0084 -0.0143 1744 PHE 41 HE1 -0.0105 -0.0043 -0.0119 1745 PHE 41 HE2 -0.0070 0.0044 -0.0200 1746 PHE 41 HZ -0.0123 -0.0020 -0.0189 1747 PRO 42 N 0.0109 0.0127 -0.0030 1748 PRO 42 CA 0.0150 0.0147 0.0008 1749 PRO 42 C 0.0152 0.0116 0.0063 1750 PRO 42 O 0.0122 0.0078 0.0073 1751 PRO 42 CB 0.0154 0.0159 -0.0005 1752 PRO 42 CG 0.0110 0.0127 -0.0029 1753 PRO 42 CD 0.0087 0.0121 -0.0058 1754 PRO 42 HA 0.0174 0.0175 0.0002 1755 PRO 42 HB3 0.0169 0.0191 -0.0033 1756 PRO 42 HB2 0.0173 0.0159 0.0027 1757 PRO 42 HG3 0.0106 0.0137 -0.0052 1758 PRO 42 HG2 0.0099 0.0097 0.0001 1759 PRO 42 HD2 0.0055 0.0089 -0.0062 1760 PRO 42 HD3 0.0087 0.0144 -0.0096 1761 ARG 43 N 0.0081 0.0032 0.0067 1762 ARG 43 CA 0.0079 0.0031 0.0074 1763 ARG 43 C 0.0080 0.0033 0.0076 1764 ARG 43 O 0.0078 0.0030 0.0080 1765 ARG 43 CB 0.0081 0.0035 0.0079 1766 ARG 43 CG 0.0079 0.0036 0.0087 1767 ARG 43 CD 0.0081 0.0040 0.0091 1768 ARG 43 NE 0.0080 0.0041 0.0098 1769 ARG 43 CZ 0.0082 0.0045 0.0100 1770 ARG 43 NH1 0.0085 0.0049 0.0096 1771 ARG 43 NH2 0.0082 0.0047 0.0107 1772 ARG 43 H 0.0083 0.0034 0.0067 1773 ARG 43 HA 0.0076 0.0027 0.0075 1774 ARG 43 HB3 0.0084 0.0039 0.0078 1775 ARG 43 HB2 0.0080 0.0033 0.0078 1776 ARG 43 HG3 0.0076 0.0031 0.0088 1777 ARG 43 HG2 0.0080 0.0037 0.0088 1778 ARG 43 HD3 0.0084 0.0043 0.0088 1779 ARG 43 HD2 0.0079 0.0037 0.0091 1780 ARG 43 HH22 0.0083 0.0050 0.0109 1781 ARG 43 HH21 0.0080 0.0045 0.0110 1782 ARG 43 HH12 0.0087 0.0052 0.0098 1783 ARG 43 HH11 0.0085 0.0047 0.0091 1784 ARG 43 HE 0.0078 0.0039 0.0101 1785 THR 44 N 0.0083 0.0038 0.0073 1786 THR 44 CA 0.0085 0.0040 0.0075 1787 THR 44 C 0.0087 0.0041 0.0068 1788 THR 44 O 0.0089 0.0043 0.0064 1789 THR 44 CB 0.0088 0.0046 0.0079 1790 THR 44 OG1 0.0086 0.0046 0.0085 1791 THR 44 CG2 0.0089 0.0050 0.0081 1792 THR 44 H 0.0085 0.0039 0.0069 1793 THR 44 HA 0.0082 0.0038 0.0078 1794 THR 44 HB 0.0090 0.0049 0.0076 1795 THR 44 HG1 0.0084 0.0043 0.0087 1796 THR 44 HG21 0.0091 0.0054 0.0084 1797 THR 44 HG22 0.0090 0.0051 0.0077 1798 THR 44 HG23 0.0087 0.0047 0.0084 1799 VAL 45 N 0.0105 0.0011 0.0070 1800 VAL 45 CA 0.0088 0.0010 0.0063 1801 VAL 45 C 0.0086 -0.0005 0.0070 1802 VAL 45 O 0.0095 -0.0016 0.0079 1803 VAL 45 CB 0.0074 0.0006 0.0058 1804 VAL 45 CG1 0.0076 0.0021 0.0051 1805 VAL 45 CG2 0.0071 -0.0010 0.0065 1806 VAL 45 H 0.0107 0.0000 0.0077 1807 VAL 45 HA 0.0088 0.0021 0.0057 1808 VAL 45 HB 0.0062 0.0007 0.0052 1809 VAL 45 HG11 0.0065 0.0020 0.0046 1810 VAL 45 HG12 0.0078 0.0033 0.0046 1811 VAL 45 HG13 0.0087 0.0021 0.0056 1812 VAL 45 HG21 0.0060 -0.0011 0.0061 1813 VAL 45 HG22 0.0082 -0.0012 0.0071 1814 VAL 45 HG23 0.0067 -0.0021 0.0069 1815 MET 46 N 0.0075 -0.0004 0.0064 1816 MET 46 CA 0.0070 -0.0018 0.0069 1817 MET 46 C 0.0055 -0.0029 0.0068 1818 MET 46 O 0.0043 -0.0024 0.0059 1819 MET 46 CB 0.0067 -0.0010 0.0063 1820 MET 46 CG 0.0082 -0.0001 0.0066 1821 MET 46 SD 0.0078 0.0008 0.0059 1822 MET 46 CE 0.0069 0.0025 0.0046 1823 MET 46 H 0.0068 0.0005 0.0056 1824 MET 46 HA 0.0081 -0.0024 0.0077 1825 MET 46 HB3 0.0061 -0.0020 0.0066 1826 MET 46 HB2 0.0057 -0.0003 0.0055 1827 MET 46 HG3 0.0089 0.0009 0.0064 1828 MET 46 HG2 0.0091 -0.0009 0.0074 1829 MET 46 HE1 0.0067 0.0033 0.0041 1830 MET 46 HE2 0.0077 0.0033 0.0046 1831 MET 46 HE3 0.0057 0.0021 0.0043 1832 VAL 47 N 0.0051 -0.0052 0.0060 1833 VAL 47 CA 0.0047 -0.0060 0.0057 1834 VAL 47 C 0.0041 -0.0068 0.0053 1835 VAL 47 O 0.0045 -0.0072 0.0053 1836 VAL 47 CB 0.0057 -0.0066 0.0059 1837 VAL 47 CG1 0.0053 -0.0075 0.0055 1838 VAL 47 CG2 0.0063 -0.0058 0.0063 1839 VAL 47 H 0.0056 -0.0055 0.0061 1840 VAL 47 HA 0.0042 -0.0056 0.0056 1841 VAL 47 HB 0.0062 -0.0070 0.0060 1842 VAL 47 HG11 0.0060 -0.0079 0.0057 1843 VAL 47 HG12 0.0049 -0.0082 0.0052 1844 VAL 47 HG13 0.0047 -0.0072 0.0054 1845 VAL 47 HG21 0.0069 -0.0063 0.0064 1846 VAL 47 HG22 0.0058 -0.0053 0.0062 1847 VAL 47 HG23 0.0068 -0.0053 0.0065 1848 ASN 48 N 0.0031 -0.0070 0.0049 1849 ASN 48 CA 0.0025 -0.0078 0.0044 1850 ASN 48 C 0.0028 -0.0089 0.0043 1851 ASN 48 O 0.0027 -0.0089 0.0043 1852 ASN 48 CB 0.0013 -0.0074 0.0041 1853 ASN 48 CG 0.0004 -0.0081 0.0037 1854 ASN 48 OD1 0.0006 -0.0091 0.0035 1855 ASN 48 ND2 -0.0006 -0.0076 0.0034 1856 ASN 48 H 0.0029 -0.0065 0.0049 1857 ASN 48 HA 0.0026 -0.0080 0.0045 1858 ASN 48 HB3 0.0011 -0.0074 0.0041 1859 ASN 48 HB2 0.0011 -0.0066 0.0043 1860 ASN 48 HD22 -0.0012 -0.0081 0.0031 1861 ASN 48 HD21 -0.0007 -0.0069 0.0035 1862 LEU 49 N 0.0037 -0.0075 0.0038 1863 LEU 49 CA 0.0038 -0.0081 0.0039 1864 LEU 49 C 0.0033 -0.0086 0.0037 1865 LEU 49 O 0.0034 -0.0091 0.0037 1866 LEU 49 CB 0.0043 -0.0084 0.0043 1867 LEU 49 CG 0.0048 -0.0080 0.0046 1868 LEU 49 CD1 0.0053 -0.0084 0.0049 1869 LEU 49 CD2 0.0050 -0.0080 0.0046 1870 LEU 49 H 0.0038 -0.0074 0.0039 1871 LEU 49 HA 0.0039 -0.0081 0.0040 1872 LEU 49 HB3 0.0043 -0.0089 0.0043 1873 LEU 49 HB2 0.0042 -0.0084 0.0042 1874 LEU 49 HG 0.0048 -0.0076 0.0045 1875 LEU 49 HD11 0.0057 -0.0082 0.0051 1876 LEU 49 HD12 0.0052 -0.0083 0.0048 1877 LEU 49 HD13 0.0053 -0.0089 0.0049 1878 LEU 49 HD21 0.0054 -0.0079 0.0049 1879 LEU 49 HD22 0.0049 -0.0085 0.0046 1880 LEU 49 HD23 0.0047 -0.0077 0.0045 1881 ASN 50 N 0.0029 -0.0084 0.0034 1882 ASN 50 CA 0.0024 -0.0088 0.0031 1883 ASN 50 C 0.0021 -0.0088 0.0030 1884 ASN 50 O 0.0017 -0.0085 0.0027 1885 ASN 50 CB 0.0020 -0.0086 0.0029 1886 ASN 50 CG 0.0022 -0.0087 0.0030 1887 ASN 50 OD1 0.0025 -0.0091 0.0032 1888 ASN 50 ND2 0.0020 -0.0084 0.0029 1889 ASN 50 H 0.0029 -0.0080 0.0034 1890 ASN 50 HA 0.0025 -0.0093 0.0032 1891 ASN 50 HB3 0.0016 -0.0088 0.0027 1892 ASN 50 HB2 0.0020 -0.0081 0.0028 1893 ASN 50 HD22 0.0021 -0.0086 0.0029 1894 ASN 50 HD21 0.0017 -0.0081 0.0027 1895 ILE 51 N 0.0036 -0.0101 0.0006 1896 ILE 51 CA 0.0046 -0.0101 0.0011 1897 ILE 51 C 0.0041 -0.0101 0.0009 1898 ILE 51 O 0.0035 -0.0105 -0.0000 1899 ILE 51 CB 0.0059 -0.0106 0.0005 1900 ILE 51 CG1 0.0065 -0.0106 0.0006 1901 ILE 51 CG2 0.0070 -0.0105 0.0011 1902 ILE 51 CD1 0.0076 -0.0113 -0.0003 1903 ILE 51 H 0.0039 -0.0104 0.0002 1904 ILE 51 HA 0.0047 -0.0096 0.0021 1905 ILE 51 HB 0.0058 -0.0110 -0.0004 1906 ILE 51 HG13 0.0057 -0.0106 0.0004 1907 ILE 51 HG12 0.0069 -0.0102 0.0015 1908 ILE 51 HG21 0.0080 -0.0108 0.0007 1909 ILE 51 HG22 0.0068 -0.0105 0.0009 1910 ILE 51 HG23 0.0072 -0.0100 0.0020 1911 ILE 51 HD11 0.0080 -0.0112 -0.0001 1912 ILE 51 HD12 0.0071 -0.0116 -0.0012 1913 ILE 51 HD13 0.0084 -0.0114 -0.0003 1914 HIS 52 N 0.0045 -0.0097 0.0018 1915 HIS 52 CA 0.0044 -0.0098 0.0017 1916 HIS 52 C 0.0059 -0.0100 0.0017 1917 HIS 52 O 0.0067 -0.0098 0.0024 1918 HIS 52 CB 0.0037 -0.0091 0.0027 1919 HIS 52 CG 0.0022 -0.0090 0.0025 1920 HIS 52 ND1 0.0015 -0.0094 0.0015 1921 HIS 52 CD2 0.0012 -0.0086 0.0031 1922 HIS 52 CE1 0.0002 -0.0092 0.0016 1923 HIS 52 NE2 -0.0001 -0.0087 0.0025 1924 HIS 52 H 0.0050 -0.0094 0.0026 1925 HIS 52 HA 0.0040 -0.0101 0.0008 1926 HIS 52 HB3 0.0039 -0.0091 0.0028 1927 HIS 52 HB2 0.0039 -0.0087 0.0036 1928 HIS 52 HD1 0.0020 -0.0098 0.0009 1929 HIS 52 HD2 0.0012 -0.0082 0.0039 1930 HIS 52 HE1 -0.0005 -0.0094 0.0009 1931 ASN 53 N 0.0076 -0.0098 0.0031 1932 ASN 53 CA 0.0082 -0.0090 0.0030 1933 ASN 53 C 0.0081 -0.0082 0.0041 1934 ASN 53 O 0.0074 -0.0085 0.0047 1935 ASN 53 CB 0.0083 -0.0093 0.0026 1936 ASN 53 CG 0.0086 -0.0099 0.0015 1937 ASN 53 OD1 0.0089 -0.0100 0.0010 1938 ASN 53 ND2 0.0085 -0.0104 0.0010 1939 ASN 53 H 0.0070 -0.0102 0.0034 1940 ASN 53 HA 0.0088 -0.0087 0.0025 1941 ASN 53 HB3 0.0088 -0.0086 0.0026 1942 ASN 53 HB2 0.0077 -0.0096 0.0030 1943 ASN 53 HD22 0.0087 -0.0109 0.0004 1944 ASN 53 HD21 0.0083 -0.0104 0.0014 1945 ARG 54 N 0.0087 -0.0073 0.0041 1946 ARG 54 CA 0.0087 -0.0065 0.0051 1947 ARG 54 C 0.0095 -0.0057 0.0048 1948 ARG 54 O 0.0100 -0.0049 0.0049 1949 ARG 54 CB 0.0086 -0.0062 0.0055 1950 ARG 54 CG 0.0084 -0.0055 0.0066 1951 ARG 54 CD 0.0083 -0.0052 0.0070 1952 ARG 54 NE 0.0076 -0.0060 0.0071 1953 ARG 54 CZ 0.0068 -0.0064 0.0077 1954 ARG 54 NH1 0.0065 -0.0061 0.0085 1955 ARG 54 NH2 0.0063 -0.0072 0.0076 1956 ARG 54 H 0.0093 -0.0072 0.0036 1957 ARG 54 HA 0.0082 -0.0067 0.0056 1958 ARG 54 HXT 0.0096 -0.0059 0.0045 1959 ARG 54 HB3 0.0091 -0.0060 0.0050 1960 ARG 54 HB2 0.0081 -0.0069 0.0055 1961 ARG 54 HG3 0.0079 -0.0057 0.0070 1962 ARG 54 HG2 0.0089 -0.0048 0.0066 1963 ARG 54 HD3 0.0083 -0.0046 0.0077 1964 ARG 54 HD2 0.0089 -0.0049 0.0065 1965 ARG 54 HH22 0.0057 -0.0076 0.0080 1966 ARG 54 HH21 0.0066 -0.0074 0.0069 1967 ARG 54 HH12 0.0059 -0.0065 0.0090 1968 ARG 54 HH11 0.0069 -0.0055 0.0086 1969 ARG 54 HE 0.0079 -0.0062 0.0066 1970 SER 64 N -0.0097 -0.0041 0.0107 1971 SER 64 CA -0.0093 -0.0050 0.0075 1972 SER 64 C -0.0093 -0.0031 0.0048 1973 SER 64 O -0.0090 -0.0034 0.0021 1974 SER 64 CB -0.0087 -0.0085 0.0069 1975 SER 64 OG -0.0087 -0.0100 0.0090 1976 SER 64 H1 -0.0095 -0.0061 0.0118 1977 SER 64 H2 -0.0100 -0.0033 0.0120 1978 SER 64 HA -0.0094 -0.0042 0.0073 1979 SER 64 HB3 -0.0084 -0.0091 0.0045 1980 SER 64 HB2 -0.0086 -0.0095 0.0074 1981 SER 64 HG -0.0084 -0.0122 0.0087 1982 TYR 66 N -0.0072 0.0018 0.0016 1983 TYR 66 CA -0.0070 0.0022 0.0015 1984 TYR 66 C -0.0072 0.0023 0.0001 1985 TYR 66 O -0.0068 0.0031 -0.0003 1986 TYR 66 CB -0.0074 0.0013 0.0023 1987 TYR 66 CG -0.0071 0.0012 0.0038 1988 TYR 66 CD1 -0.0065 0.0020 0.0045 1989 TYR 66 CD2 -0.0076 0.0003 0.0045 1990 TYR 66 CE1 -0.0063 0.0018 0.0059 1991 TYR 66 CE2 -0.0074 0.0001 0.0059 1992 TYR 66 CZ -0.0067 0.0009 0.0066 1993 TYR 66 OH -0.0065 0.0008 0.0079 1994 TYR 66 H -0.0076 0.0010 0.0021 1995 TYR 66 HA -0.0064 0.0030 0.0018 1996 TYR 66 HB3 -0.0072 0.0016 0.0021 1997 TYR 66 HB2 -0.0080 0.0005 0.0020 1998 TYR 66 HD1 -0.0061 0.0027 0.0040 1999 TYR 66 HD2 -0.0081 -0.0003 0.0040 2000 TYR 66 HE1 -0.0058 0.0024 0.0064 2001 TYR 66 HE2 -0.0077 -0.0006 0.0064 2002 TYR 66 HH -0.0068 0.0002 0.0083 2003 TYR 67 N -0.0078 0.0016 -0.0007 2004 TYR 67 CA -0.0081 0.0017 -0.0021 2005 TYR 67 C -0.0075 0.0028 -0.0029 2006 TYR 67 O -0.0075 0.0032 -0.0039 2007 TYR 67 CB -0.0089 0.0007 -0.0027 2008 TYR 67 CG -0.0090 0.0006 -0.0030 2009 TYR 67 CD1 -0.0088 0.0006 -0.0021 2010 TYR 67 CD2 -0.0092 0.0007 -0.0044 2011 TYR 67 CE1 -0.0089 0.0006 -0.0024 2012 TYR 67 CE2 -0.0093 0.0007 -0.0047 2013 TYR 67 CZ -0.0091 0.0007 -0.0038 2014 TYR 67 OH -0.0091 0.0008 -0.0041 2015 TYR 67 H -0.0082 0.0010 -0.0004 2016 TYR 67 HA -0.0081 0.0017 -0.0023 2017 TYR 67 HB3 -0.0092 -0.0001 -0.0020 2018 TYR 67 HB2 -0.0091 0.0006 -0.0036 2019 TYR 67 HD1 -0.0086 0.0005 -0.0010 2020 TYR 67 HD2 -0.0094 0.0007 -0.0051 2021 TYR 67 HE1 -0.0087 0.0006 -0.0017 2022 TYR 67 HE2 -0.0095 0.0007 -0.0057 2023 TYR 67 HH -0.0094 0.0005 -0.0049 2024 ASN 68 N -0.0102 0.0007 -0.0035 2025 ASN 68 CA -0.0096 0.0030 -0.0041 2026 ASN 68 C -0.0085 0.0042 -0.0032 2027 ASN 68 O -0.0086 0.0058 -0.0043 2028 ASN 68 CB -0.0089 0.0036 -0.0034 2029 ASN 68 CG -0.0099 0.0032 -0.0046 2030 ASN 68 OD1 -0.0109 0.0035 -0.0064 2031 ASN 68 ND2 -0.0095 0.0027 -0.0038 2032 ASN 68 H -0.0096 -0.0000 -0.0021 2033 ASN 68 HA -0.0105 0.0034 -0.0057 2034 ASN 68 HB3 -0.0082 0.0053 -0.0034 2035 ASN 68 HB2 -0.0082 0.0028 -0.0019 2036 ASN 68 HD22 -0.0102 0.0023 -0.0045 2037 ASN 68 HD21 -0.0087 0.0025 -0.0023 2038 ARG 69 N -0.0076 0.0035 -0.0013 2039 ARG 69 CA -0.0064 0.0047 -0.0002 2040 ARG 69 C -0.0067 0.0044 -0.0005 2041 ARG 69 O -0.0058 0.0055 0.0002 2042 ARG 69 CB -0.0053 0.0038 0.0020 2043 ARG 69 CG -0.0047 0.0042 0.0027 2044 ARG 69 CD -0.0040 0.0027 0.0047 2045 ARG 69 NE -0.0030 0.0027 0.0062 2046 ARG 69 CZ -0.0026 0.0012 0.0078 2047 ARG 69 NH1 -0.0018 0.0014 0.0088 2048 ARG 69 NH2 -0.0030 -0.0005 0.0083 2049 ARG 69 H -0.0076 0.0022 -0.0006 2050 ARG 69 HA -0.0059 0.0064 -0.0005 2051 ARG 69 HB3 -0.0044 0.0045 0.0029 2052 ARG 69 HB2 -0.0058 0.0021 0.0023 2053 ARG 69 HG3 -0.0055 0.0038 0.0017 2054 ARG 69 HG2 -0.0040 0.0059 0.0027 2055 ARG 69 HD3 -0.0048 0.0011 0.0045 2056 ARG 69 HD2 -0.0034 0.0034 0.0052 2057 ARG 69 HH22 -0.0027 -0.0017 0.0094 2058 ARG 69 HH21 -0.0035 -0.0006 0.0076 2059 ARG 69 HH12 -0.0015 0.0003 0.0100 2060 ARG 69 HH11 -0.0015 0.0028 0.0084 2061 ARG 69 HE -0.0026 0.0041 0.0060 2062 SER 70 N -0.0086 0.0032 -0.0027 2063 SER 70 CA -0.0087 0.0034 -0.0032 2064 SER 70 C -0.0090 0.0037 -0.0033 2065 SER 70 O -0.0090 0.0037 -0.0031 2066 SER 70 CB -0.0084 0.0031 -0.0035 2067 SER 70 OG -0.0085 0.0032 -0.0041 2068 SER 70 H -0.0083 0.0030 -0.0026 2069 SER 70 HA -0.0088 0.0035 -0.0032 2070 SER 70 HB3 -0.0082 0.0029 -0.0035 2071 SER 70 HB2 -0.0082 0.0029 -0.0035 2072 SER 70 HG -0.0084 0.0031 -0.0042 2073 THR 71 N -0.0093 0.0039 -0.0036 2074 THR 71 CA -0.0096 0.0041 -0.0039 2075 THR 71 C -0.0094 0.0040 -0.0043 2076 THR 71 O -0.0095 0.0041 -0.0044 2077 THR 71 CB -0.0098 0.0044 -0.0042 2078 THR 71 OG1 -0.0096 0.0042 -0.0045 2079 THR 71 CG2 -0.0101 0.0046 -0.0038 2080 THR 71 H -0.0093 0.0039 -0.0037 2081 THR 71 HA -0.0097 0.0043 -0.0036 2082 THR 71 HB -0.0100 0.0045 -0.0044 2083 THR 71 HG1 -0.0095 0.0041 -0.0043 2084 THR 71 HG21 -0.0103 0.0048 -0.0040 2085 THR 71 HG22 -0.0102 0.0047 -0.0036 2086 THR 71 HG23 -0.0099 0.0044 -0.0036 2087 SER 72 N -0.0076 0.0039 -0.0044 2088 SER 72 CA -0.0077 0.0040 -0.0043 2089 SER 72 C -0.0082 0.0040 -0.0046 2090 SER 72 O -0.0086 0.0043 -0.0044 2091 SER 72 CB -0.0077 0.0043 -0.0037 2092 SER 72 OG -0.0081 0.0045 -0.0035 2093 SER 72 H -0.0079 0.0040 -0.0044 2094 SER 72 HA -0.0073 0.0039 -0.0043 2095 SER 72 HB3 -0.0073 0.0043 -0.0034 2096 SER 72 HB2 -0.0078 0.0044 -0.0035 2097 SER 72 HG -0.0084 0.0045 -0.0038 2098 PRO 73 N -0.0082 0.0038 -0.0051 2099 PRO 73 CA -0.0087 0.0038 -0.0055 2100 PRO 73 C -0.0090 0.0039 -0.0054 2101 PRO 73 O -0.0086 0.0038 -0.0052 2102 PRO 73 CB -0.0086 0.0034 -0.0060 2103 PRO 73 CG -0.0079 0.0033 -0.0060 2104 PRO 73 CD -0.0077 0.0035 -0.0054 2105 PRO 73 HA -0.0091 0.0039 -0.0054 2106 PRO 73 HB3 -0.0086 0.0034 -0.0061 2107 PRO 73 HB2 -0.0088 0.0034 -0.0064 2108 PRO 73 HG3 -0.0077 0.0031 -0.0063 2109 PRO 73 HG2 -0.0079 0.0033 -0.0060 2110 PRO 73 HD2 -0.0074 0.0035 -0.0052 2111 PRO 73 HD3 -0.0076 0.0034 -0.0055 2112 TRP 74 N -0.0062 0.0047 -0.0036 2113 TRP 74 CA -0.0061 0.0040 -0.0041 2114 TRP 74 C -0.0062 0.0033 -0.0039 2115 TRP 74 O -0.0064 0.0032 -0.0034 2116 TRP 74 CB -0.0061 0.0039 -0.0040 2117 TRP 74 CG -0.0064 0.0037 -0.0033 2118 TRP 74 CD1 -0.0065 0.0029 -0.0031 2119 TRP 74 CD2 -0.0066 0.0042 -0.0027 2120 TRP 74 NE1 -0.0068 0.0029 -0.0024 2121 TRP 74 CE2 -0.0069 0.0036 -0.0021 2122 TRP 74 CE3 -0.0066 0.0050 -0.0025 2123 TRP 74 CZ2 -0.0071 0.0039 -0.0015 2124 TRP 74 CZ3 -0.0069 0.0053 -0.0018 2125 TRP 74 CH2 -0.0071 0.0048 -0.0013 2126 TRP 74 H -0.0064 0.0046 -0.0031 2127 TRP 74 HA -0.0058 0.0042 -0.0046 2128 TRP 74 HB3 -0.0060 0.0045 -0.0041 2129 TRP 74 HB2 -0.0059 0.0035 -0.0044 2130 TRP 74 HD1 -0.0064 0.0024 -0.0034 2131 TRP 74 HE1 -0.0070 0.0024 -0.0022 2132 TRP 74 HE3 -0.0064 0.0054 -0.0029 2133 TRP 74 HZ2 -0.0073 0.0035 -0.0011 2134 TRP 74 HZ3 -0.0069 0.0059 -0.0017 2135 TRP 74 HH2 -0.0073 0.0050 -0.0008 2136 ASN 75 N -0.0060 0.0027 -0.0044 2137 ASN 75 CA -0.0061 0.0019 -0.0043 2138 ASN 75 C -0.0061 0.0013 -0.0044 2139 ASN 75 O -0.0059 0.0015 -0.0048 2140 ASN 75 CB -0.0058 0.0017 -0.0050 2141 ASN 75 CG -0.0058 0.0022 -0.0050 2142 ASN 75 OD1 -0.0060 0.0026 -0.0045 2143 ASN 75 ND2 -0.0055 0.0022 -0.0057 2144 ASN 75 H -0.0058 0.0028 -0.0048 2145 ASN 75 HA -0.0063 0.0018 -0.0038 2146 ASN 75 HB3 -0.0059 0.0010 -0.0049 2147 ASN 75 HB2 -0.0056 0.0017 -0.0055 2148 ASN 75 HD22 -0.0055 0.0025 -0.0057 2149 ASN 75 HD21 -0.0054 0.0018 -0.0061 2150 LEU 76 N -0.0045 -0.0003 -0.0041 2151 LEU 76 CA -0.0036 -0.0007 -0.0046 2152 LEU 76 C -0.0020 -0.0025 -0.0050 2153 LEU 76 O -0.0021 -0.0040 -0.0043 2154 LEU 76 CB -0.0050 -0.0012 -0.0034 2155 LEU 76 CG -0.0066 0.0005 -0.0030 2156 LEU 76 CD1 -0.0079 -0.0002 -0.0018 2157 LEU 76 CD2 -0.0060 0.0024 -0.0042 2158 LEU 76 H -0.0052 -0.0014 -0.0032 2159 LEU 76 HA -0.0032 0.0006 -0.0054 2160 LEU 76 HB3 -0.0042 -0.0017 -0.0038 2161 LEU 76 HB2 -0.0055 -0.0026 -0.0026 2162 LEU 76 HG -0.0073 0.0010 -0.0027 2163 LEU 76 HD11 -0.0091 0.0010 -0.0015 2164 LEU 76 HD12 -0.0084 -0.0015 -0.0010 2165 LEU 76 HD13 -0.0073 -0.0007 -0.0020 2166 LEU 76 HD21 -0.0068 0.0030 -0.0038 2167 LEU 76 HD22 -0.0046 0.0020 -0.0050 2168 LEU 76 HD23 -0.0061 0.0036 -0.0046 2169 HIS 77 N -0.0005 -0.0022 -0.0062 2170 HIS 77 CA 0.0012 -0.0038 -0.0067 2171 HIS 77 C 0.0015 -0.0044 -0.0067 2172 HIS 77 O 0.0012 -0.0030 -0.0070 2173 HIS 77 CB 0.0028 -0.0030 -0.0081 2174 HIS 77 CG 0.0027 -0.0028 -0.0082 2175 HIS 77 ND1 0.0016 -0.0011 -0.0080 2176 HIS 77 CD2 0.0035 -0.0040 -0.0083 2177 HIS 77 CE1 0.0018 -0.0014 -0.0081 2178 HIS 77 NE2 0.0030 -0.0031 -0.0082 2179 HIS 77 H -0.0005 -0.0009 -0.0067 2180 HIS 77 HA 0.0010 -0.0052 -0.0061 2181 HIS 77 HB3 0.0040 -0.0040 -0.0086 2182 HIS 77 HB2 0.0028 -0.0015 -0.0088 2183 HIS 77 HD1 0.0008 0.0000 -0.0079 2184 HIS 77 HD2 0.0045 -0.0054 -0.0084 2185 HIS 77 HE1 0.0011 -0.0004 -0.0080 2186 ARG 78 N 0.0052 -0.0100 -0.0098 2187 ARG 78 CA 0.0035 -0.0102 -0.0094 2188 ARG 78 C 0.0060 -0.0096 -0.0099 2189 ARG 78 O 0.0078 -0.0118 -0.0109 2190 ARG 78 CB 0.0017 -0.0137 -0.0099 2191 ARG 78 CG -0.0008 -0.0141 -0.0094 2192 ARG 78 CD -0.0026 -0.0176 -0.0098 2193 ARG 78 NE -0.0047 -0.0183 -0.0095 2194 ARG 78 CZ -0.0036 -0.0193 -0.0100 2195 ARG 78 NH1 -0.0057 -0.0198 -0.0096 2196 ARG 78 NH2 -0.0004 -0.0197 -0.0110 2197 ARG 78 H 0.0063 -0.0120 -0.0106 2198 ARG 78 HA 0.0016 -0.0084 -0.0084 2199 ARG 78 HB3 0.0035 -0.0155 -0.0108 2200 ARG 78 HB2 0.0004 -0.0142 -0.0097 2201 ARG 78 HG3 -0.0026 -0.0123 -0.0084 2202 ARG 78 HG2 0.0002 -0.0135 -0.0095 2203 ARG 78 HD3 -0.0010 -0.0195 -0.0107 2204 ARG 78 HD2 -0.0045 -0.0176 -0.0093 2205 ARG 78 HH22 0.0003 -0.0202 -0.0113 2206 ARG 78 HH21 0.0014 -0.0194 -0.0113 2207 ARG 78 HH12 -0.0048 -0.0197 -0.0098 2208 ARG 78 HH11 -0.0082 -0.0198 -0.0090 2209 ARG 78 HE -0.0071 -0.0179 -0.0088 2210 ASN 79 N 0.0061 -0.0066 -0.0091 2211 ASN 79 CA 0.0081 -0.0055 -0.0093 2212 ASN 79 C 0.0059 -0.0064 -0.0090 2213 ASN 79 O 0.0034 -0.0049 -0.0080 2214 ASN 79 CB 0.0089 -0.0018 -0.0085 2215 ASN 79 CG 0.0107 0.0003 -0.0084 2216 ASN 79 OD1 0.0105 -0.0004 -0.0086 2217 ASN 79 ND2 0.0122 0.0031 -0.0081 2218 ASN 79 H 0.0044 -0.0050 -0.0082 2219 ASN 79 HA 0.0104 -0.0068 -0.0103 2220 ASN 79 HB3 0.0066 -0.0006 -0.0076 2221 ASN 79 HB2 0.0103 -0.0015 -0.0088 2222 ASN 79 HD22 0.0135 0.0047 -0.0080 2223 ASN 79 HD21 0.0122 0.0039 -0.0079 2224 GLU 80 N 0.0072 -0.0075 -0.0116 2225 GLU 80 CA 0.0048 -0.0074 -0.0117 2226 GLU 80 C 0.0054 -0.0065 -0.0109 2227 GLU 80 O 0.0076 -0.0068 -0.0110 2228 GLU 80 CB 0.0035 -0.0096 -0.0135 2229 GLU 80 CG 0.0008 -0.0096 -0.0135 2230 GLU 80 CD -0.0009 -0.0115 -0.0152 2231 GLU 80 OE1 0.0003 -0.0132 -0.0166 2232 GLU 80 OE2 -0.0032 -0.0112 -0.0150 2233 GLU 80 H 0.0087 -0.0083 -0.0123 2234 GLU 80 HA 0.0033 -0.0065 -0.0109 2235 GLU 80 HB3 0.0049 -0.0106 -0.0143 2236 GLU 80 HB2 0.0033 -0.0102 -0.0140 2237 GLU 80 HG3 -0.0004 -0.0082 -0.0124 2238 GLU 80 HG2 0.0011 -0.0095 -0.0135 2239 ASP 81 N 0.0034 -0.0055 -0.0100 2240 ASP 81 CA 0.0035 -0.0043 -0.0090 2241 ASP 81 C 0.0006 -0.0040 -0.0089 2242 ASP 81 O -0.0010 -0.0030 -0.0080 2243 ASP 81 CB 0.0048 -0.0022 -0.0072 2244 ASP 81 CG 0.0052 -0.0006 -0.0059 2245 ASP 81 OD1 0.0041 -0.0008 -0.0060 2246 ASP 81 OD2 0.0063 0.0010 -0.0045 2247 ASP 81 H 0.0016 -0.0054 -0.0100 2248 ASP 81 HA 0.0049 -0.0050 -0.0096 2249 ASP 81 HB3 0.0036 -0.0014 -0.0066 2250 ASP 81 HB2 0.0067 -0.0024 -0.0074 2251 PRO 82 N -0.0022 0.0018 -0.0107 2252 PRO 82 CA -0.0040 0.0029 -0.0113 2253 PRO 82 C -0.0053 0.0030 -0.0091 2254 PRO 82 O -0.0063 0.0037 -0.0094 2255 PRO 82 CB -0.0054 0.0040 -0.0127 2256 PRO 82 CG -0.0051 0.0036 -0.0117 2257 PRO 82 CD -0.0027 0.0022 -0.0112 2258 PRO 82 HA -0.0033 0.0029 -0.0125 2259 PRO 82 HB3 -0.0049 0.0042 -0.0146 2260 PRO 82 HB2 -0.0072 0.0049 -0.0125 2261 PRO 82 HG3 -0.0055 0.0041 -0.0129 2262 PRO 82 HG2 -0.0061 0.0037 -0.0100 2263 PRO 82 HD2 -0.0025 0.0017 -0.0097 2264 PRO 82 HD3 -0.0016 0.0020 -0.0128 2265 GLU 83 N -0.0052 0.0024 -0.0070 2266 GLU 83 CA -0.0063 0.0024 -0.0047 2267 GLU 83 C -0.0049 0.0014 -0.0036 2268 GLU 83 O -0.0055 0.0013 -0.0015 2269 GLU 83 CB -0.0068 0.0023 -0.0030 2270 GLU 83 CG -0.0085 0.0034 -0.0038 2271 GLU 83 CD -0.0107 0.0046 -0.0038 2272 GLU 83 OE1 -0.0115 0.0045 -0.0019 2273 GLU 83 OE2 -0.0116 0.0055 -0.0057 2274 GLU 83 H -0.0042 0.0019 -0.0068 2275 GLU 83 HA -0.0078 0.0033 -0.0050 2276 GLU 83 HB3 -0.0073 0.0021 -0.0011 2277 GLU 83 HB2 -0.0053 0.0014 -0.0028 2278 GLU 83 HG3 -0.0087 0.0032 -0.0026 2279 GLU 83 HG2 -0.0079 0.0036 -0.0056 2280 ARG 84 N -0.0016 -0.0019 -0.0045 2281 ARG 84 CA -0.0005 -0.0020 -0.0032 2282 ARG 84 C 0.0002 -0.0020 -0.0027 2283 ARG 84 O 0.0002 -0.0014 -0.0036 2284 ARG 84 CB 0.0007 -0.0012 -0.0035 2285 ARG 84 CG 0.0020 -0.0012 -0.0023 2286 ARG 84 CD 0.0030 -0.0003 -0.0028 2287 ARG 84 NE 0.0038 0.0007 -0.0038 2288 ARG 84 CZ 0.0043 0.0017 -0.0048 2289 ARG 84 NH1 0.0050 0.0025 -0.0056 2290 ARG 84 NH2 0.0042 0.0018 -0.0052 2291 ARG 84 H -0.0013 -0.0013 -0.0053 2292 ARG 84 HA -0.0009 -0.0028 -0.0023 2293 ARG 84 HB3 0.0011 -0.0004 -0.0044 2294 ARG 84 HB2 0.0001 -0.0012 -0.0040 2295 ARG 84 HG3 0.0016 -0.0019 -0.0014 2296 ARG 84 HG2 0.0026 -0.0012 -0.0018 2297 ARG 84 HD3 0.0024 -0.0003 -0.0034 2298 ARG 84 HD2 0.0038 -0.0004 -0.0019 2299 ARG 84 HH22 0.0047 0.0025 -0.0059 2300 ARG 84 HH21 0.0033 0.0012 -0.0050 2301 ARG 84 HH12 0.0055 0.0032 -0.0063 2302 ARG 84 HH11 0.0049 0.0025 -0.0057 2303 ARG 84 HE 0.0040 0.0007 -0.0036 2304 TYR 85 N 0.0007 -0.0025 -0.0013 2305 TYR 85 CA 0.0018 -0.0023 -0.0006 2306 TYR 85 C 0.0031 -0.0021 0.0003 2307 TYR 85 O 0.0029 -0.0028 0.0013 2308 TYR 85 CB 0.0010 -0.0032 0.0002 2309 TYR 85 CG 0.0019 -0.0031 0.0008 2310 TYR 85 CD1 0.0030 -0.0032 0.0021 2311 TYR 85 CD2 0.0016 -0.0028 0.0001 2312 TYR 85 CE1 0.0039 -0.0031 0.0027 2313 TYR 85 CE2 0.0025 -0.0027 0.0007 2314 TYR 85 CZ 0.0036 -0.0028 0.0020 2315 TYR 85 OH 0.0044 -0.0027 0.0025 2316 TYR 85 H 0.0006 -0.0030 -0.0006 2317 TYR 85 HA 0.0020 -0.0017 -0.0015 2318 TYR 85 HB3 0.0007 -0.0039 0.0011 2319 TYR 85 HB2 -0.0000 -0.0034 -0.0005 2320 TYR 85 HD1 0.0032 -0.0035 0.0027 2321 TYR 85 HD2 0.0008 -0.0027 -0.0009 2322 TYR 85 HE1 0.0048 -0.0031 0.0037 2323 TYR 85 HE2 0.0023 -0.0025 0.0001 2324 TYR 85 HH 0.0040 -0.0027 0.0022 2325 PRO 86 N 0.0003 -0.0017 -0.0002 2326 PRO 86 CA 0.0005 -0.0016 -0.0021 2327 PRO 86 C 0.0006 -0.0015 -0.0036 2328 PRO 86 O 0.0014 -0.0013 -0.0034 2329 PRO 86 CB 0.0024 -0.0012 -0.0019 2330 PRO 86 CG 0.0026 -0.0012 0.0002 2331 PRO 86 CD 0.0018 -0.0014 0.0010 2332 PRO 86 HA -0.0005 -0.0018 -0.0023 2333 PRO 86 HB3 0.0024 -0.0011 -0.0026 2334 PRO 86 HB2 0.0035 -0.0009 -0.0024 2335 PRO 86 HG3 0.0018 -0.0014 0.0007 2336 PRO 86 HG2 0.0040 -0.0010 0.0006 2337 PRO 86 HD2 0.0028 -0.0012 0.0009 2338 PRO 86 HD3 0.0015 -0.0016 0.0025 2339 SER 87 N -0.0003 -0.0016 -0.0052 2340 SER 87 CA -0.0004 -0.0015 -0.0067 2341 SER 87 C 0.0014 -0.0011 -0.0077 2342 SER 87 O 0.0019 -0.0010 -0.0081 2343 SER 87 CB -0.0020 -0.0018 -0.0081 2344 SER 87 OG -0.0017 -0.0017 -0.0087 2345 SER 87 H -0.0010 -0.0017 -0.0054 2346 SER 87 HA -0.0008 -0.0016 -0.0062 2347 SER 87 HB3 -0.0033 -0.0021 -0.0074 2348 SER 87 HB2 -0.0020 -0.0018 -0.0093 2349 SER 87 HG -0.0019 -0.0017 -0.0100 2350 VAL 88 N -0.0028 -0.0044 -0.0057 2351 VAL 88 CA -0.0017 -0.0046 -0.0061 2352 VAL 88 C -0.0017 -0.0020 -0.0050 2353 VAL 88 O -0.0036 -0.0008 -0.0040 2354 VAL 88 CB -0.0035 -0.0066 -0.0063 2355 VAL 88 CG1 -0.0026 -0.0068 -0.0067 2356 VAL 88 CG2 -0.0037 -0.0092 -0.0074 2357 VAL 88 H -0.0047 -0.0043 -0.0050 2358 VAL 88 HA 0.0003 -0.0052 -0.0069 2359 VAL 88 HB -0.0055 -0.0060 -0.0055 2360 VAL 88 HG11 -0.0038 -0.0084 -0.0070 2361 VAL 88 HG12 -0.0028 -0.0051 -0.0059 2362 VAL 88 HG13 -0.0005 -0.0072 -0.0075 2363 VAL 88 HG21 -0.0051 -0.0106 -0.0075 2364 VAL 88 HG22 -0.0018 -0.0099 -0.0082 2365 VAL 88 HG23 -0.0044 -0.0092 -0.0071 2366 ILE 89 N 0.0005 -0.0012 -0.0054 2367 ILE 89 CA 0.0009 0.0010 -0.0046 2368 ILE 89 C 0.0021 0.0001 -0.0053 2369 ILE 89 O 0.0039 -0.0012 -0.0064 2370 ILE 89 CB 0.0027 0.0033 -0.0042 2371 ILE 89 CG1 0.0014 0.0041 -0.0035 2372 ILE 89 CG2 0.0033 0.0056 -0.0034 2373 ILE 89 CD1 0.0028 0.0065 -0.0029 2374 ILE 89 H 0.0021 -0.0022 -0.0063 2375 ILE 89 HA -0.0011 0.0016 -0.0037 2376 ILE 89 HB 0.0046 0.0026 -0.0051 2377 ILE 89 HG13 0.0013 0.0025 -0.0041 2378 ILE 89 HG12 -0.0007 0.0042 -0.0028 2379 ILE 89 HG21 0.0047 0.0070 -0.0033 2380 ILE 89 HG22 0.0042 0.0051 -0.0039 2381 ILE 89 HG23 0.0015 0.0065 -0.0025 2382 ILE 89 HD11 0.0020 0.0066 -0.0026 2383 ILE 89 HD12 0.0049 0.0064 -0.0036 2384 ILE 89 HD13 0.0024 0.0082 -0.0021 2385 TRP 90 N -0.0042 0.0010 -0.0039 2386 TRP 90 CA -0.0038 0.0002 -0.0041 2387 TRP 90 C -0.0026 0.0027 -0.0041 2388 TRP 90 O -0.0039 0.0048 -0.0035 2389 TRP 90 CB -0.0064 -0.0007 -0.0036 2390 TRP 90 CG -0.0076 -0.0033 -0.0037 2391 TRP 90 CD1 -0.0094 -0.0034 -0.0033 2392 TRP 90 CD2 -0.0071 -0.0061 -0.0041 2393 TRP 90 NE1 -0.0101 -0.0062 -0.0035 2394 TRP 90 CE2 -0.0087 -0.0079 -0.0040 2395 TRP 90 CE3 -0.0053 -0.0073 -0.0046 2396 TRP 90 CZ2 -0.0087 -0.0107 -0.0043 2397 TRP 90 CZ3 -0.0053 -0.0101 -0.0049 2398 TRP 90 CH2 -0.0070 -0.0119 -0.0048 2399 TRP 90 H -0.0058 0.0021 -0.0034 2400 TRP 90 HA -0.0024 -0.0015 -0.0046 2401 TRP 90 HB3 -0.0061 -0.0010 -0.0037 2402 TRP 90 HB2 -0.0079 0.0009 -0.0031 2403 TRP 90 HD1 -0.0102 -0.0017 -0.0029 2404 TRP 90 HE1 -0.0116 -0.0067 -0.0032 2405 TRP 90 HE3 -0.0040 -0.0060 -0.0048 2406 TRP 90 HZ2 -0.0100 -0.0120 -0.0042 2407 TRP 90 HZ3 -0.0040 -0.0110 -0.0053 2408 TRP 90 HH2 -0.0070 -0.0140 -0.0050 2409 GLU 91 N -0.0002 0.0025 -0.0046 2410 GLU 91 CA 0.0011 0.0045 -0.0047 2411 GLU 91 C 0.0012 0.0036 -0.0048 2412 GLU 91 O 0.0016 0.0012 -0.0051 2413 GLU 91 CB 0.0040 0.0051 -0.0052 2414 GLU 91 CG 0.0043 0.0068 -0.0051 2415 GLU 91 CD 0.0071 0.0078 -0.0056 2416 GLU 91 OE1 0.0086 0.0066 -0.0060 2417 GLU 91 OE2 0.0078 0.0098 -0.0055 2418 GLU 91 H 0.0008 0.0007 -0.0050 2419 GLU 91 HA 0.0000 0.0064 -0.0042 2420 GLU 91 HB3 0.0051 0.0061 -0.0053 2421 GLU 91 HB2 0.0050 0.0032 -0.0056 2422 GLU 91 HG3 0.0037 0.0055 -0.0051 2423 GLU 91 HG2 0.0029 0.0085 -0.0046 2424 ALA 92 N -0.0030 0.0044 -0.0039 2425 ALA 92 CA -0.0032 0.0048 -0.0037 2426 ALA 92 C -0.0023 0.0051 -0.0045 2427 ALA 92 O -0.0018 0.0058 -0.0051 2428 ALA 92 CB -0.0039 0.0059 -0.0034 2429 ALA 92 H -0.0030 0.0050 -0.0039 2430 ALA 92 HA -0.0036 0.0041 -0.0033 2431 ALA 92 HB1 -0.0041 0.0063 -0.0033 2432 ALA 92 HB2 -0.0046 0.0058 -0.0028 2433 ALA 92 HB3 -0.0036 0.0066 -0.0038 2434 LYS 93 N -0.0022 0.0047 -0.0046 2435 LYS 93 CA -0.0016 0.0051 -0.0052 2436 LYS 93 C -0.0021 0.0056 -0.0048 2437 LYS 93 O -0.0026 0.0050 -0.0043 2438 LYS 93 CB -0.0008 0.0040 -0.0056 2439 LYS 93 CG -0.0002 0.0043 -0.0061 2440 LYS 93 CD 0.0008 0.0037 -0.0068 2441 LYS 93 CE 0.0013 0.0039 -0.0073 2442 LYS 93 NZ 0.0013 0.0052 -0.0075 2443 LYS 93 H -0.0026 0.0041 -0.0041 2444 LYS 93 HA -0.0012 0.0058 -0.0056 2445 LYS 93 HB3 -0.0012 0.0032 -0.0051 2446 LYS 93 HB2 -0.0003 0.0038 -0.0059 2447 LYS 93 HG3 -0.0002 0.0053 -0.0063 2448 LYS 93 HG2 -0.0006 0.0040 -0.0057 2449 LYS 93 HD3 0.0008 0.0027 -0.0066 2450 LYS 93 HD2 0.0012 0.0040 -0.0072 2451 LYS 93 HE3 0.0010 0.0034 -0.0069 2452 LYS 93 HE2 0.0021 0.0035 -0.0078 2453 LYS 93 HZ1 0.0006 0.0055 -0.0070 2454 LYS 93 HZ2 0.0015 0.0057 -0.0078 2455 LYS 93 HZ3 0.0016 0.0053 -0.0078 2456 CYS 94 N -0.0064 0.0054 -0.0050 2457 CYS 94 CA -0.0063 0.0053 -0.0051 2458 CYS 94 C -0.0059 0.0047 -0.0053 2459 CYS 94 O -0.0054 0.0046 -0.0054 2460 CYS 94 CB -0.0059 0.0059 -0.0048 2461 CYS 94 SG -0.0061 0.0066 -0.0045 2462 CYS 94 H -0.0062 0.0057 -0.0049 2463 CYS 94 HA -0.0067 0.0053 -0.0050 2464 CYS 94 HB3 -0.0060 0.0059 -0.0048 2465 CYS 94 HB2 -0.0054 0.0058 -0.0049 2466 ARG 95 N -0.0061 0.0044 -0.0055 2467 ARG 95 CA -0.0058 0.0038 -0.0057 2468 ARG 95 C -0.0051 0.0039 -0.0058 2469 ARG 95 O -0.0047 0.0035 -0.0059 2470 ARG 95 CB -0.0062 0.0035 -0.0059 2471 ARG 95 CG -0.0069 0.0033 -0.0059 2472 ARG 95 CD -0.0073 0.0029 -0.0060 2473 ARG 95 NE -0.0080 0.0029 -0.0060 2474 ARG 95 CZ -0.0085 0.0027 -0.0060 2475 ARG 95 NH1 -0.0085 0.0025 -0.0061 2476 ARG 95 NH2 -0.0091 0.0027 -0.0060 2477 ARG 95 H -0.0064 0.0045 -0.0054 2478 ARG 95 HA -0.0057 0.0035 -0.0059 2479 ARG 95 HB3 -0.0060 0.0031 -0.0061 2480 ARG 95 HB2 -0.0062 0.0037 -0.0057 2481 ARG 95 HG3 -0.0072 0.0037 -0.0057 2482 ARG 95 HG2 -0.0068 0.0030 -0.0060 2483 ARG 95 HD3 -0.0071 0.0025 -0.0062 2484 ARG 95 HD2 -0.0073 0.0031 -0.0059 2485 ARG 95 HH22 -0.0095 0.0025 -0.0060 2486 ARG 95 HH21 -0.0091 0.0029 -0.0059 2487 ARG 95 HH12 -0.0090 0.0023 -0.0061 2488 ARG 95 HH11 -0.0081 0.0025 -0.0061 2489 ARG 95 HE -0.0080 0.0029 -0.0060 2490 HIS 96 N -0.0074 0.0026 -0.0066 2491 HIS 96 CA -0.0065 0.0024 -0.0063 2492 HIS 96 C -0.0064 0.0025 -0.0053 2493 HIS 96 O -0.0070 0.0028 -0.0048 2494 HIS 96 CB -0.0058 0.0021 -0.0065 2495 HIS 96 CG -0.0059 0.0020 -0.0075 2496 HIS 96 ND1 -0.0056 0.0018 -0.0082 2497 HIS 96 CD2 -0.0062 0.0020 -0.0079 2498 HIS 96 CE1 -0.0059 0.0017 -0.0090 2499 HIS 96 NE2 -0.0063 0.0019 -0.0089 2500 HIS 96 H -0.0076 0.0027 -0.0062 2501 HIS 96 HA -0.0063 0.0023 -0.0066 2502 HIS 96 HB3 -0.0051 0.0019 -0.0064 2503 HIS 96 HB2 -0.0059 0.0022 -0.0061 2504 HIS 96 HD1 -0.0053 0.0017 -0.0082 2505 HIS 96 HD2 -0.0065 0.0022 -0.0076 2506 HIS 96 HE1 -0.0057 0.0016 -0.0097 2507 LEU 97 N -0.0057 0.0024 -0.0050 2508 LEU 97 CA -0.0055 0.0024 -0.0040 2509 LEU 97 C -0.0049 0.0023 -0.0037 2510 LEU 97 O -0.0051 0.0025 -0.0030 2511 LEU 97 CB -0.0050 0.0023 -0.0038 2512 LEU 97 CG -0.0055 0.0024 -0.0041 2513 LEU 97 CD1 -0.0049 0.0022 -0.0042 2514 LEU 97 CD2 -0.0062 0.0028 -0.0034 2515 LEU 97 H -0.0053 0.0022 -0.0054 2516 LEU 97 HA -0.0060 0.0027 -0.0036 2517 LEU 97 HB3 -0.0047 0.0023 -0.0031 2518 LEU 97 HB2 -0.0044 0.0020 -0.0042 2519 LEU 97 HG -0.0058 0.0024 -0.0048 2520 LEU 97 HD11 -0.0052 0.0023 -0.0043 2521 LEU 97 HD12 -0.0044 0.0020 -0.0047 2522 LEU 97 HD13 -0.0045 0.0022 -0.0035 2523 LEU 97 HD21 -0.0064 0.0028 -0.0034 2524 LEU 97 HD22 -0.0060 0.0028 -0.0027 2525 LEU 97 HD23 -0.0068 0.0029 -0.0036 2526 GLY 98 N -0.0027 0.0013 -0.0045 2527 GLY 98 CA -0.0023 0.0012 -0.0044 2528 GLY 98 C -0.0038 0.0014 -0.0051 2529 GLY 98 O -0.0052 0.0017 -0.0055 2530 GLY 98 H -0.0024 0.0006 -0.0054 2531 GLY 98 HA3 -0.0013 0.0004 -0.0050 2532 GLY 98 HA2 -0.0019 0.0019 -0.0032 2533 CYS 99 N -0.0035 0.0012 -0.0052 2534 CYS 99 CA -0.0048 0.0013 -0.0058 2535 CYS 99 C -0.0044 0.0002 -0.0072 2536 CYS 99 O -0.0029 -0.0004 -0.0072 2537 CYS 99 CB -0.0050 0.0021 -0.0047 2538 CYS 99 SG -0.0055 0.0035 -0.0030 2539 CYS 99 H -0.0023 0.0009 -0.0049 2540 CYS 99 HA -0.0060 0.0015 -0.0062 2541 CYS 99 HB3 -0.0059 0.0022 -0.0052 2542 CYS 99 HB2 -0.0038 0.0018 -0.0044 2543 ILE 100 N -0.0058 0.0028 -0.0073 2544 ILE 100 CA -0.0072 0.0006 -0.0078 2545 ILE 100 C -0.0087 0.0023 -0.0074 2546 ILE 100 O -0.0107 0.0045 -0.0069 2547 ILE 100 CB -0.0099 -0.0014 -0.0083 2548 ILE 100 CG1 -0.0087 -0.0030 -0.0086 2549 ILE 100 CG2 -0.0114 -0.0039 -0.0089 2550 ILE 100 CD1 -0.0058 -0.0051 -0.0091 2551 ILE 100 H -0.0072 0.0035 -0.0071 2552 ILE 100 HA -0.0053 -0.0010 -0.0082 2553 ILE 100 HB -0.0119 0.0001 -0.0079 2554 ILE 100 HG13 -0.0107 -0.0043 -0.0089 2555 ILE 100 HG12 -0.0082 -0.0012 -0.0082 2556 ILE 100 HG21 -0.0130 -0.0055 -0.0092 2557 ILE 100 HG22 -0.0127 -0.0029 -0.0086 2558 ILE 100 HG23 -0.0095 -0.0054 -0.0092 2559 ILE 100 HD11 -0.0052 -0.0063 -0.0094 2560 ILE 100 HD12 -0.0061 -0.0069 -0.0096 2561 ILE 100 HD13 -0.0037 -0.0037 -0.0088 2562 ASN 101 N -0.0077 0.0015 -0.0076 2563 ASN 101 CA -0.0088 0.0027 -0.0073 2564 ASN 101 C -0.0118 0.0009 -0.0077 2565 ASN 101 O -0.0128 -0.0013 -0.0082 2566 ASN 101 CB -0.0060 0.0029 -0.0072 2567 ASN 101 CG -0.0049 -0.0002 -0.0080 2568 ASN 101 OD1 -0.0061 -0.0027 -0.0086 2569 ASN 101 ND2 -0.0026 -0.0000 -0.0079 2570 ASN 101 H -0.0061 -0.0003 -0.0080 2571 ASN 101 HA -0.0097 0.0051 -0.0067 2572 ASN 101 HB3 -0.0040 0.0040 -0.0070 2573 ASN 101 HB2 -0.0068 0.0044 -0.0069 2574 ASN 101 HD22 -0.0021 -0.0019 -0.0084 2575 ASN 101 HD21 -0.0015 0.0020 -0.0074 2576 ALA 102 N -0.0297 0.0124 0.0018 2577 ALA 102 CA -0.0397 0.0085 0.0053 2578 ALA 102 C -0.0384 -0.0031 0.0021 2579 ALA 102 O -0.0468 -0.0108 0.0041 2580 ALA 102 CB -0.0422 0.0193 0.0087 2581 ALA 102 H -0.0263 0.0212 0.0023 2582 ALA 102 HA -0.0472 0.0065 0.0080 2583 ALA 102 HB1 -0.0499 0.0169 0.0115 2584 ALA 102 HB2 -0.0438 0.0276 0.0112 2585 ALA 102 HB3 -0.0349 0.0217 0.0061 2586 ASP 103 N -0.0277 -0.0044 -0.0027 2587 ASP 103 CA -0.0243 -0.0148 -0.0065 2588 ASP 103 C -0.0231 -0.0266 -0.0096 2589 ASP 103 O -0.0210 -0.0363 -0.0126 2590 ASP 103 CB -0.0127 -0.0117 -0.0107 2591 ASP 103 CG -0.0112 0.0010 -0.0086 2592 ASP 103 OD1 -0.0199 0.0052 -0.0039 2593 ASP 103 OD2 -0.0011 0.0061 -0.0118 2594 ASP 103 H -0.0215 0.0026 -0.0039 2595 ASP 103 HA -0.0312 -0.0170 -0.0040 2596 ASP 103 HB3 -0.0121 -0.0185 -0.0125 2597 ASP 103 HB2 -0.0053 -0.0124 -0.0141 2598 GLY 104 N -0.0230 -0.0189 -0.0105 2599 GLY 104 CA -0.0236 -0.0247 -0.0128 2600 GLY 104 C -0.0145 -0.0258 -0.0155 2601 GLY 104 O -0.0137 -0.0317 -0.0181 2602 GLY 104 H -0.0240 -0.0128 -0.0077 2603 GLY 104 HA3 -0.0267 -0.0308 -0.0146 2604 GLY 104 HA2 -0.0279 -0.0223 -0.0107 2605 ASN 105 N -0.0076 -0.0206 -0.0150 2606 ASN 105 CA 0.0015 -0.0208 -0.0173 2607 ASN 105 C 0.0030 -0.0146 -0.0151 2608 ASN 105 O -0.0014 -0.0085 -0.0114 2609 ASN 105 CB 0.0081 -0.0184 -0.0179 2610 ASN 105 CG 0.0085 -0.0250 -0.0208 2611 ASN 105 OD1 0.0148 -0.0247 -0.0222 2612 ASN 105 ND2 0.0021 -0.0312 -0.0218 2613 ASN 105 H -0.0087 -0.0154 -0.0125 2614 ASN 105 HA 0.0025 -0.0272 -0.0202 2615 ASN 105 HB3 0.0148 -0.0174 -0.0191 2616 ASN 105 HB2 0.0067 -0.0125 -0.0151 2617 ASN 105 HD22 0.0021 -0.0351 -0.0234 2618 ASN 105 HD21 -0.0035 -0.0312 -0.0204 2619 VAL 106 N 0.0008 -0.0089 -0.0117 2620 VAL 106 CA 0.0013 -0.0067 -0.0101 2621 VAL 106 C 0.0032 -0.0061 -0.0089 2622 VAL 106 O 0.0053 -0.0073 -0.0086 2623 VAL 106 CB 0.0023 -0.0068 -0.0097 2624 VAL 106 CG1 0.0030 -0.0045 -0.0081 2625 VAL 106 CG2 0.0005 -0.0075 -0.0110 2626 VAL 106 H 0.0018 -0.0104 -0.0120 2627 VAL 106 HA -0.0004 -0.0053 -0.0101 2628 VAL 106 HB 0.0040 -0.0082 -0.0097 2629 VAL 106 HG11 0.0035 -0.0046 -0.0079 2630 VAL 106 HG12 0.0045 -0.0041 -0.0071 2631 VAL 106 HG13 0.0014 -0.0030 -0.0079 2632 VAL 106 HG21 0.0013 -0.0078 -0.0108 2633 VAL 106 HG22 -0.0012 -0.0061 -0.0110 2634 VAL 106 HG23 -0.0001 -0.0091 -0.0122 2635 ASP 107 N 0.0025 -0.0042 -0.0081 2636 ASP 107 CA 0.0042 -0.0031 -0.0066 2637 ASP 107 C 0.0052 -0.0015 -0.0052 2638 ASP 107 O 0.0038 -0.0000 -0.0051 2639 ASP 107 CB 0.0031 -0.0017 -0.0064 2640 ASP 107 CG 0.0049 -0.0006 -0.0049 2641 ASP 107 OD1 0.0071 -0.0013 -0.0043 2642 ASP 107 OD2 0.0039 0.0010 -0.0044 2643 ASP 107 H 0.0008 -0.0032 -0.0083 2644 ASP 107 HA 0.0058 -0.0045 -0.0067 2645 ASP 107 HB3 0.0015 -0.0003 -0.0063 2646 ASP 107 HB2 0.0023 -0.0029 -0.0074 2647 TYR 108 N 0.0061 -0.0045 -0.0079 2648 TYR 108 CA 0.0055 -0.0035 -0.0056 2649 TYR 108 C 0.0062 -0.0027 -0.0021 2650 TYR 108 O 0.0053 -0.0017 -0.0001 2651 TYR 108 CB 0.0071 -0.0045 -0.0064 2652 TYR 108 CG 0.0106 -0.0058 -0.0057 2653 TYR 108 CD1 0.0125 -0.0074 -0.0081 2654 TYR 108 CD2 0.0120 -0.0055 -0.0026 2655 TYR 108 CE1 0.0157 -0.0086 -0.0074 2656 TYR 108 CE2 0.0152 -0.0067 -0.0020 2657 TYR 108 CZ 0.0170 -0.0083 -0.0043 2658 TYR 108 OH 0.0201 -0.0095 -0.0037 2659 TYR 108 H 0.0084 -0.0055 -0.0081 2660 TYR 108 HA 0.0030 -0.0025 -0.0060 2661 TYR 108 HB3 0.0065 -0.0049 -0.0089 2662 TYR 108 HB2 0.0063 -0.0037 -0.0050 2663 TYR 108 HD1 0.0114 -0.0076 -0.0104 2664 TYR 108 HD2 0.0106 -0.0043 -0.0008 2665 TYR 108 HE1 0.0171 -0.0098 -0.0092 2666 TYR 108 HE2 0.0162 -0.0065 0.0004 2667 TYR 108 HH 0.0208 -0.0091 -0.0015 2668 HIS 109 N 0.0078 -0.0032 -0.0015 2669 HIS 109 CA 0.0084 -0.0025 0.0018 2670 HIS 109 C 0.0056 -0.0009 0.0030 2671 HIS 109 O 0.0055 0.0000 0.0059 2672 HIS 109 CB 0.0111 -0.0037 0.0020 2673 HIS 109 CG 0.0140 -0.0053 0.0009 2674 HIS 109 ND1 0.0148 -0.0066 -0.0021 2675 HIS 109 CD2 0.0163 -0.0059 0.0024 2676 HIS 109 CE1 0.0175 -0.0078 -0.0023 2677 HIS 109 NE2 0.0185 -0.0075 0.0003 2678 HIS 109 H 0.0085 -0.0041 -0.0032 2679 HIS 109 HA 0.0091 -0.0024 0.0034 2680 HIS 109 HB3 0.0116 -0.0031 0.0045 2681 HIS 109 HB2 0.0104 -0.0038 0.0006 2682 HIS 109 HD1 0.0135 -0.0065 -0.0038 2683 HIS 109 HD2 0.0165 -0.0053 0.0048 2684 HIS 109 HE1 0.0186 -0.0090 -0.0044 2685 MET 110 N 0.0005 -0.0027 0.0005 2686 MET 110 CA -0.0010 -0.0020 0.0009 2687 MET 110 C -0.0020 -0.0018 0.0006 2688 MET 110 O -0.0015 -0.0024 -0.0001 2689 MET 110 CB -0.0018 -0.0022 0.0000 2690 MET 110 CG -0.0009 -0.0023 0.0004 2691 MET 110 SD -0.0009 -0.0013 0.0022 2692 MET 110 CE -0.0029 -0.0007 0.0021 2693 MET 110 H 0.0006 -0.0033 -0.0005 2694 MET 110 HA -0.0010 -0.0014 0.0020 2695 MET 110 HB3 -0.0030 -0.0017 0.0003 2696 MET 110 HB2 -0.0019 -0.0028 -0.0011 2697 MET 110 HG3 -0.0015 -0.0025 -0.0004 2698 MET 110 HG2 0.0002 -0.0028 0.0002 2699 MET 110 HE1 -0.0030 -0.0001 0.0030 2700 MET 110 HE2 -0.0032 -0.0011 0.0012 2701 MET 110 HE3 -0.0036 -0.0005 0.0020 2702 ASN 111 N -0.0033 -0.0011 0.0011 2703 ASN 111 CA -0.0042 -0.0009 0.0009 2704 ASN 111 C -0.0059 -0.0006 0.0004 2705 ASN 111 O -0.0065 -0.0001 0.0011 2706 ASN 111 CB -0.0042 -0.0001 0.0023 2707 ASN 111 CG -0.0027 -0.0003 0.0029 2708 ASN 111 OD1 -0.0026 0.0003 0.0041 2709 ASN 111 ND2 -0.0016 -0.0011 0.0022 2710 ASN 111 H -0.0036 -0.0007 0.0017 2711 ASN 111 HA -0.0039 -0.0014 0.0002 2712 ASN 111 HB3 -0.0051 0.0001 0.0022 2713 ASN 111 HB2 -0.0045 0.0004 0.0032 2714 ASN 111 HD22 -0.0006 -0.0012 0.0026 2715 ASN 111 HD21 -0.0016 -0.0016 0.0012 2716 SER 112 N -0.0059 0.0028 -0.0008 2717 SER 112 CA -0.0066 0.0038 -0.0014 2718 SER 112 C -0.0073 0.0046 -0.0004 2719 SER 112 O -0.0075 0.0048 0.0002 2720 SER 112 CB -0.0068 0.0042 -0.0024 2721 SER 112 OG -0.0063 0.0037 -0.0035 2722 SER 112 H -0.0059 0.0028 -0.0007 2723 SER 112 HA -0.0065 0.0037 -0.0019 2724 SER 112 HB3 -0.0074 0.0050 -0.0027 2725 SER 112 HB2 -0.0068 0.0041 -0.0020 2726 SER 112 HG -0.0058 0.0031 -0.0034 2727 VAL 113 N -0.0076 0.0050 -0.0002 2728 VAL 113 CA -0.0083 0.0057 0.0007 2729 VAL 113 C -0.0090 0.0067 -0.0001 2730 VAL 113 O -0.0088 0.0066 -0.0009 2731 VAL 113 CB -0.0082 0.0053 0.0017 2732 VAL 113 CG1 -0.0076 0.0045 0.0026 2733 VAL 113 CG2 -0.0078 0.0050 0.0013 2734 VAL 113 H -0.0074 0.0047 -0.0007 2735 VAL 113 HA -0.0085 0.0059 0.0011 2736 VAL 113 HB -0.0087 0.0060 0.0023 2737 VAL 113 HG11 -0.0075 0.0043 0.0034 2738 VAL 113 HG12 -0.0079 0.0048 0.0030 2739 VAL 113 HG13 -0.0070 0.0039 0.0021 2740 VAL 113 HG21 -0.0077 0.0047 0.0021 2741 VAL 113 HG22 -0.0073 0.0044 0.0006 2742 VAL 113 HG23 -0.0083 0.0056 0.0009 2743 PRO 114 N -0.0055 0.0082 0.0011 2744 PRO 114 CA -0.0050 0.0084 0.0010 2745 PRO 114 C -0.0049 0.0085 0.0004 2746 PRO 114 O -0.0049 0.0085 0.0002 2747 PRO 114 CB -0.0046 0.0086 0.0014 2748 PRO 114 CG -0.0048 0.0085 0.0015 2749 PRO 114 CD -0.0054 0.0082 0.0015 2750 PRO 114 HA -0.0051 0.0084 0.0011 2751 PRO 114 HB3 -0.0046 0.0085 0.0018 2752 PRO 114 HB2 -0.0042 0.0088 0.0012 2753 PRO 114 HG3 -0.0046 0.0085 0.0019 2754 PRO 114 HG2 -0.0046 0.0086 0.0012 2755 PRO 114 HD2 -0.0055 0.0082 0.0013 2756 PRO 114 HD3 -0.0055 0.0081 0.0019 2757 ILE 115 N -0.0048 0.0086 0.0001 2758 ILE 115 CA -0.0046 0.0087 -0.0005 2759 ILE 115 C -0.0040 0.0090 -0.0004 2760 ILE 115 O -0.0038 0.0091 -0.0001 2761 ILE 115 CB -0.0047 0.0087 -0.0008 2762 ILE 115 CG1 -0.0052 0.0084 -0.0009 2763 ILE 115 CG2 -0.0044 0.0089 -0.0014 2764 ILE 115 CD1 -0.0053 0.0084 -0.0011 2765 ILE 115 H -0.0048 0.0086 0.0003 2766 ILE 115 HA -0.0048 0.0087 -0.0007 2767 ILE 115 HB -0.0045 0.0088 -0.0006 2768 ILE 115 HG13 -0.0054 0.0083 -0.0005 2769 ILE 115 HG12 -0.0054 0.0084 -0.0012 2770 ILE 115 HG21 -0.0044 0.0089 -0.0016 2771 ILE 115 HG22 -0.0040 0.0091 -0.0014 2772 ILE 115 HG23 -0.0046 0.0088 -0.0017 2773 ILE 115 HD11 -0.0057 0.0082 -0.0011 2774 ILE 115 HD12 -0.0051 0.0085 -0.0009 2775 ILE 115 HD13 -0.0052 0.0085 -0.0016 2776 GLN 116 N -0.0005 0.0107 0.0003 2777 GLN 116 CA 0.0004 0.0105 0.0002 2778 GLN 116 C 0.0013 0.0101 -0.0006 2779 GLN 116 O 0.0008 0.0099 -0.0014 2780 GLN 116 CB -0.0000 0.0104 -0.0002 2781 GLN 116 CG -0.0010 0.0109 0.0005 2782 GLN 116 CD -0.0009 0.0109 0.0007 2783 GLN 116 OE1 -0.0010 0.0107 -0.0001 2784 GLN 116 NE2 -0.0007 0.0113 0.0017 2785 GLN 116 H -0.0010 0.0106 -0.0004 2786 GLN 116 HA 0.0009 0.0107 0.0010 2787 GLN 116 HB3 0.0007 0.0103 -0.0002 2788 GLN 116 HB2 -0.0004 0.0102 -0.0011 2789 GLN 116 HG3 -0.0018 0.0109 0.0001 2790 GLN 116 HG2 -0.0009 0.0112 0.0013 2791 GLN 116 HE22 -0.0006 0.0113 0.0019 2792 GLN 116 HE21 -0.0005 0.0115 0.0023 2793 GLN 117 N 0.0024 0.0100 -0.0003 2794 GLN 117 CA 0.0033 0.0096 -0.0010 2795 GLN 117 C 0.0041 0.0094 -0.0013 2796 GLN 117 O 0.0043 0.0096 -0.0006 2797 GLN 117 CB 0.0039 0.0098 -0.0003 2798 GLN 117 CG 0.0048 0.0094 -0.0009 2799 GLN 117 CD 0.0043 0.0091 -0.0019 2800 GLN 117 OE1 0.0044 0.0088 -0.0028 2801 GLN 117 NE2 0.0036 0.0093 -0.0018 2802 GLN 117 H 0.0026 0.0102 0.0003 2803 GLN 117 HA 0.0029 0.0094 -0.0017 2804 GLN 117 HB3 0.0044 0.0099 0.0004 2805 GLN 117 HB2 0.0033 0.0100 0.0001 2806 GLN 117 HG3 0.0055 0.0092 -0.0011 2807 GLN 117 HG2 0.0052 0.0095 -0.0003 2808 GLN 117 HE22 0.0033 0.0091 -0.0025 2809 GLN 117 HE21 0.0035 0.0096 -0.0010 2810 GLU 118 N 0.0078 0.0090 0.0036 2811 GLU 118 CA 0.0071 0.0083 0.0035 2812 GLU 118 C 0.0068 0.0078 0.0040 2813 GLU 118 O 0.0069 0.0077 0.0048 2814 GLU 118 CB 0.0071 0.0081 0.0040 2815 GLU 118 CG 0.0072 0.0084 0.0034 2816 GLU 118 CD 0.0070 0.0081 0.0037 2817 GLU 118 OE1 0.0069 0.0078 0.0045 2818 GLU 118 OE2 0.0068 0.0080 0.0031 2819 GLU 118 H 0.0081 0.0091 0.0043 2820 GLU 118 HA 0.0069 0.0082 0.0028 2821 GLU 118 HB3 0.0066 0.0075 0.0042 2822 GLU 118 HB2 0.0074 0.0083 0.0047 2823 GLU 118 HG3 0.0077 0.0090 0.0034 2824 GLU 118 HG2 0.0070 0.0083 0.0027 2825 ILE 119 N 0.0063 0.0074 0.0034 2826 ILE 119 CA 0.0059 0.0069 0.0038 2827 ILE 119 C 0.0052 0.0062 0.0035 2828 ILE 119 O 0.0050 0.0061 0.0029 2829 ILE 119 CB 0.0060 0.0071 0.0034 2830 ILE 119 CG1 0.0058 0.0071 0.0024 2831 ILE 119 CG2 0.0067 0.0077 0.0038 2832 ILE 119 CD1 0.0056 0.0070 0.0021 2833 ILE 119 H 0.0062 0.0074 0.0028 2834 ILE 119 HA 0.0060 0.0068 0.0045 2835 ILE 119 HB 0.0057 0.0066 0.0037 2836 ILE 119 HG13 0.0054 0.0067 0.0021 2837 ILE 119 HG12 0.0062 0.0076 0.0020 2838 ILE 119 HG21 0.0067 0.0078 0.0036 2839 ILE 119 HG22 0.0068 0.0077 0.0045 2840 ILE 119 HG23 0.0070 0.0082 0.0035 2841 ILE 119 HD11 0.0057 0.0072 0.0014 2842 ILE 119 HD12 0.0052 0.0064 0.0022 2843 ILE 119 HD13 0.0060 0.0072 0.0025 2844 LEU 120 N 0.0076 0.0002 0.0066 2845 LEU 120 CA 0.0063 -0.0006 0.0064 2846 LEU 120 C 0.0060 0.0002 0.0055 2847 LEU 120 O 0.0070 0.0011 0.0055 2848 LEU 120 CB 0.0065 -0.0019 0.0076 2849 LEU 120 CG 0.0066 -0.0029 0.0085 2850 LEU 120 CD1 0.0070 -0.0041 0.0097 2851 LEU 120 CD2 0.0052 -0.0035 0.0079 2852 LEU 120 H 0.0086 0.0004 0.0072 2853 LEU 120 HA 0.0054 -0.0009 0.0059 2854 LEU 120 HB3 0.0056 -0.0025 0.0074 2855 LEU 120 HB2 0.0075 -0.0016 0.0081 2856 LEU 120 HG 0.0075 -0.0023 0.0086 2857 LEU 120 HD11 0.0074 -0.0045 0.0104 2858 LEU 120 HD12 0.0078 -0.0037 0.0100 2859 LEU 120 HD13 0.0061 -0.0049 0.0097 2860 LEU 120 HD21 0.0052 -0.0043 0.0086 2861 LEU 120 HD22 0.0042 -0.0038 0.0075 2862 LEU 120 HD23 0.0052 -0.0027 0.0073 2863 VAL 121 N 0.0047 -0.0001 0.0048 2864 VAL 121 CA 0.0042 0.0004 0.0040 2865 VAL 121 C 0.0029 -0.0009 0.0041 2866 VAL 121 O 0.0022 -0.0018 0.0044 2867 VAL 121 CB 0.0038 0.0016 0.0027 2868 VAL 121 CG1 0.0051 0.0029 0.0026 2869 VAL 121 CG2 0.0025 0.0013 0.0020 2870 VAL 121 H 0.0039 -0.0008 0.0047 2871 VAL 121 HA 0.0050 0.0006 0.0044 2872 VAL 121 HB 0.0034 0.0019 0.0022 2873 VAL 121 HG11 0.0048 0.0037 0.0016 2874 VAL 121 HG12 0.0059 0.0031 0.0030 2875 VAL 121 HG13 0.0055 0.0027 0.0030 2876 VAL 121 HG21 0.0023 0.0022 0.0011 2877 VAL 121 HG22 0.0027 0.0010 0.0025 2878 VAL 121 HG23 0.0015 0.0005 0.0019 2879 LEU 122 N 0.0038 -0.0030 0.0047 2880 LEU 122 CA 0.0022 -0.0036 0.0047 2881 LEU 122 C 0.0010 -0.0028 0.0035 2882 LEU 122 O 0.0014 -0.0018 0.0025 2883 LEU 122 CB 0.0022 -0.0035 0.0047 2884 LEU 122 CG 0.0033 -0.0042 0.0058 2885 LEU 122 CD1 0.0034 -0.0040 0.0056 2886 LEU 122 CD2 0.0027 -0.0056 0.0071 2887 LEU 122 H 0.0044 -0.0023 0.0040 2888 LEU 122 HA 0.0018 -0.0045 0.0056 2889 LEU 122 HB3 0.0010 -0.0038 0.0046 2890 LEU 122 HB2 0.0026 -0.0026 0.0038 2891 LEU 122 HG 0.0045 -0.0039 0.0059 2892 LEU 122 HD11 0.0042 -0.0045 0.0064 2893 LEU 122 HD12 0.0039 -0.0031 0.0048 2894 LEU 122 HD13 0.0022 -0.0043 0.0055 2895 LEU 122 HD21 0.0035 -0.0060 0.0079 2896 LEU 122 HD22 0.0015 -0.0059 0.0070 2897 LEU 122 HD23 0.0027 -0.0057 0.0073 2898 ARG 123 N -0.0004 -0.0034 0.0037 2899 ARG 123 CA -0.0017 -0.0028 0.0026 2900 ARG 123 C -0.0031 -0.0034 0.0027 2901 ARG 123 O -0.0034 -0.0044 0.0038 2902 ARG 123 CB -0.0023 -0.0030 0.0025 2903 ARG 123 CG -0.0037 -0.0023 0.0014 2904 ARG 123 CD -0.0040 -0.0021 0.0010 2905 ARG 123 NE -0.0025 -0.0013 0.0007 2906 ARG 123 CZ -0.0017 -0.0002 -0.0002 2907 ARG 123 NH1 -0.0023 0.0005 -0.0013 2908 ARG 123 NH2 -0.0003 0.0002 -0.0002 2909 ARG 123 H -0.0007 -0.0043 0.0045 2910 ARG 123 HA -0.0014 -0.0019 0.0017 2911 ARG 123 HB3 -0.0027 -0.0039 0.0034 2912 ARG 123 HB2 -0.0012 -0.0026 0.0025 2913 ARG 123 HG3 -0.0036 -0.0016 0.0006 2914 ARG 123 HG2 -0.0048 -0.0029 0.0017 2915 ARG 123 HD3 -0.0049 -0.0015 0.0001 2916 ARG 123 HD2 -0.0045 -0.0029 0.0017 2917 ARG 123 HH22 0.0003 0.0010 -0.0009 2918 ARG 123 HH21 0.0003 -0.0004 0.0006 2919 ARG 123 HH12 -0.0017 0.0014 -0.0020 2920 ARG 123 HH11 -0.0034 0.0003 -0.0014 2921 ARG 123 HE -0.0019 -0.0018 0.0015 2922 ARG 124 N -0.0054 -0.0007 0.0018 2923 ARG 124 CA -0.0076 -0.0008 0.0017 2924 ARG 124 C -0.0095 -0.0019 0.0027 2925 ARG 124 O -0.0101 -0.0016 0.0024 2926 ARG 124 CB -0.0084 0.0008 -0.0003 2927 ARG 124 CG -0.0066 0.0019 -0.0015 2928 ARG 124 CD -0.0074 0.0035 -0.0035 2929 ARG 124 NE -0.0055 0.0046 -0.0046 2930 ARG 124 CZ -0.0043 0.0047 -0.0045 2931 ARG 124 NH1 -0.0050 0.0037 -0.0034 2932 ARG 124 NH2 -0.0025 0.0057 -0.0056 2933 ARG 124 H -0.0049 0.0004 0.0005 2934 ARG 124 HA -0.0071 -0.0013 0.0023 2935 ARG 124 HB3 -0.0101 0.0007 -0.0004 2936 ARG 124 HB2 -0.0088 0.0013 -0.0010 2937 ARG 124 HG3 -0.0048 0.0020 -0.0014 2938 ARG 124 HG2 -0.0063 0.0014 -0.0008 2939 ARG 124 HD3 -0.0088 0.0035 -0.0035 2940 ARG 124 HD2 -0.0084 0.0040 -0.0041 2941 ARG 124 HH22 -0.0016 0.0059 -0.0057 2942 ARG 124 HH21 -0.0020 0.0064 -0.0063 2943 ARG 124 HH12 -0.0042 0.0036 -0.0033 2944 ARG 124 HH11 -0.0065 0.0029 -0.0027 2945 ARG 124 HE -0.0049 0.0054 -0.0055 2946 GLU 125 N -0.0105 -0.0030 0.0040 2947 GLU 125 CA -0.0125 -0.0041 0.0051 2948 GLU 125 C -0.0143 -0.0044 0.0053 2949 GLU 125 O -0.0136 -0.0052 0.0063 2950 GLU 125 CB -0.0115 -0.0056 0.0070 2951 GLU 125 CG -0.0136 -0.0068 0.0082 2952 GLU 125 CD -0.0127 -0.0081 0.0099 2953 GLU 125 OE1 -0.0113 -0.0079 0.0097 2954 GLU 125 OE2 -0.0134 -0.0095 0.0114 2955 GLU 125 H -0.0101 -0.0032 0.0042 2956 GLU 125 HA -0.0134 -0.0036 0.0044 2957 GLU 125 HB3 -0.0104 -0.0061 0.0077 2958 GLU 125 HB2 -0.0104 -0.0052 0.0067 2959 GLU 125 HG3 -0.0147 -0.0062 0.0074 2960 GLU 125 HG2 -0.0147 -0.0072 0.0086 2961 PRO 126 N -0.0236 -0.0074 0.0043 2962 PRO 126 CA -0.0272 -0.0050 0.0040 2963 PRO 126 C -0.0253 -0.0009 0.0023 2964 PRO 126 O -0.0216 0.0004 0.0012 2965 PRO 126 CB -0.0309 -0.0038 0.0041 2966 PRO 126 CG -0.0283 -0.0036 0.0037 2967 PRO 126 CD -0.0246 -0.0072 0.0044 2968 PRO 126 HA -0.0286 -0.0072 0.0050 2969 PRO 126 HB3 -0.0333 -0.0063 0.0054 2970 PRO 126 HB2 -0.0328 -0.0007 0.0033 2971 PRO 126 HG3 -0.0305 -0.0040 0.0041 2972 PRO 126 HG2 -0.0268 -0.0004 0.0023 2973 PRO 126 HD2 -0.0216 -0.0065 0.0037 2974 PRO 126 HD3 -0.0258 -0.0103 0.0057 2975 PRO 127 N -0.0280 0.0010 0.0020 2976 PRO 127 CA -0.0268 0.0051 0.0003 2977 PRO 127 C -0.0258 0.0087 -0.0011 2978 PRO 127 O -0.0279 0.0091 -0.0009 2979 PRO 127 CB -0.0310 0.0063 0.0005 2980 PRO 127 CG -0.0330 0.0020 0.0024 2981 PRO 127 CD -0.0323 -0.0005 0.0032 2982 PRO 127 HA -0.0238 0.0044 0.0001 2983 PRO 127 HB3 -0.0300 0.0081 -0.0003 2984 PRO 127 HB2 -0.0334 0.0085 0.0001 2985 PRO 127 HG3 -0.0311 0.0004 0.0027 2986 PRO 127 HG2 -0.0366 0.0024 0.0028 2987 PRO 127 HD2 -0.0350 0.0003 0.0033 2988 PRO 127 HD3 -0.0322 -0.0040 0.0044 2989 HIS 128 N -0.0246 0.0090 -0.0010 2990 HIS 128 CA -0.0224 0.0135 -0.0030 2991 HIS 128 C -0.0190 0.0119 -0.0032 2992 HIS 128 O -0.0169 0.0154 -0.0048 2993 HIS 128 CB -0.0269 0.0181 -0.0037 2994 HIS 128 CG -0.0309 0.0195 -0.0033 2995 HIS 128 ND1 -0.0292 0.0198 -0.0038 2996 HIS 128 CD2 -0.0366 0.0204 -0.0024 2997 HIS 128 CE1 -0.0338 0.0208 -0.0031 2998 HIS 128 NE2 -0.0385 0.0213 -0.0023 2999 HIS 128 H -0.0230 0.0084 -0.0011 3000 HIS 128 HA -0.0194 0.0151 -0.0042 3001 HIS 128 HB3 -0.0249 0.0217 -0.0054 3002 HIS 128 HB2 -0.0293 0.0171 -0.0028 3003 HIS 128 HD1 -0.0253 0.0188 -0.0043 3004 HIS 128 HD2 -0.0395 0.0205 -0.0018 3005 HIS 128 HE1 -0.0338 0.0211 -0.0033 3006 SER 129 N -0.0182 0.0066 -0.0015 3007 SER 129 CA -0.0150 0.0047 -0.0015 3008 SER 129 C -0.0088 0.0059 -0.0032 3009 SER 129 O -0.0060 0.0042 -0.0032 3010 SER 129 CB -0.0154 -0.0014 0.0007 3011 SER 129 OG -0.0121 -0.0032 0.0007 3012 SER 129 H -0.0201 0.0039 -0.0001 3013 SER 129 HA -0.0170 0.0066 -0.0018 3014 SER 129 HB3 -0.0139 -0.0036 0.0012 3015 SER 129 HB2 -0.0197 -0.0023 0.0019 3016 SER 129 HG -0.0128 -0.0070 0.0021 3017 PRO 130 N -0.0073 0.0023 0.0007 3018 PRO 130 CA -0.0041 0.0031 0.0011 3019 PRO 130 C -0.0019 0.0006 0.0025 3020 PRO 130 O 0.0008 0.0013 0.0028 3021 PRO 130 CB -0.0038 0.0046 0.0006 3022 PRO 130 CG -0.0064 0.0030 0.0006 3023 PRO 130 CD -0.0089 0.0023 0.0003 3024 PRO 130 HA -0.0034 0.0048 0.0007 3025 PRO 130 HB3 -0.0043 0.0069 -0.0003 3026 PRO 130 HB2 -0.0016 0.0046 0.0011 3027 PRO 130 HG3 -0.0071 0.0042 0.0000 3028 PRO 130 HG2 -0.0056 0.0009 0.0015 3029 PRO 130 HD2 -0.0102 0.0003 0.0007 3030 PRO 130 HD3 -0.0104 0.0041 -0.0006 3031 ASN 131 N -0.0031 -0.0022 0.0032 3032 ASN 131 CA -0.0012 -0.0047 0.0045 3033 ASN 131 C -0.0021 -0.0075 0.0053 3034 ASN 131 O -0.0006 -0.0097 0.0064 3035 ASN 131 CB -0.0009 -0.0053 0.0048 3036 ASN 131 CG -0.0037 -0.0066 0.0046 3037 ASN 131 OD1 -0.0062 -0.0070 0.0042 3038 ASN 131 ND2 -0.0034 -0.0072 0.0049 3039 ASN 131 H -0.0054 -0.0027 0.0029 3040 ASN 131 HA 0.0011 -0.0041 0.0048 3041 ASN 131 HB3 -0.0001 -0.0032 0.0042 3042 ASN 131 HB2 0.0009 -0.0067 0.0057 3043 ASN 131 HD22 -0.0053 -0.0080 0.0047 3044 ASN 131 HD21 -0.0014 -0.0069 0.0052 3045 SER 132 N -0.0040 -0.0052 0.0047 3046 SER 132 CA -0.0041 -0.0062 0.0057 3047 SER 132 C -0.0035 -0.0057 0.0054 3048 SER 132 O -0.0041 -0.0050 0.0044 3049 SER 132 CB -0.0059 -0.0069 0.0060 3050 SER 132 OG -0.0071 -0.0063 0.0050 3051 SER 132 H -0.0044 -0.0045 0.0038 3052 SER 132 HA -0.0033 -0.0068 0.0066 3053 SER 132 HB3 -0.0063 -0.0071 0.0061 3054 SER 132 HB2 -0.0060 -0.0077 0.0069 3055 SER 132 HG -0.0070 -0.0064 0.0051 3056 PHE 133 N -0.0023 -0.0062 0.0063 3057 PHE 133 CA -0.0014 -0.0059 0.0061 3058 PHE 133 C -0.0014 -0.0070 0.0073 3059 PHE 133 O -0.0016 -0.0080 0.0083 3060 PHE 133 CB 0.0004 -0.0053 0.0060 3061 PHE 133 CG 0.0007 -0.0042 0.0048 3062 PHE 133 CD1 0.0006 -0.0043 0.0049 3063 PHE 133 CD2 0.0008 -0.0030 0.0037 3064 PHE 133 CE1 0.0008 -0.0033 0.0039 3065 PHE 133 CE2 0.0010 -0.0020 0.0027 3066 PHE 133 CZ 0.0010 -0.0022 0.0028 3067 PHE 133 H -0.0018 -0.0069 0.0071 3068 PHE 133 HA -0.0021 -0.0053 0.0053 3069 PHE 133 HB3 0.0010 -0.0051 0.0059 3070 PHE 133 HB2 0.0010 -0.0059 0.0068 3071 PHE 133 HD1 0.0004 -0.0051 0.0058 3072 PHE 133 HD2 0.0009 -0.0030 0.0036 3073 PHE 133 HE1 0.0007 -0.0033 0.0040 3074 PHE 133 HE2 0.0012 -0.0012 0.0018 3075 PHE 133 HZ 0.0011 -0.0014 0.0020 3076 ARG 134 N -0.0017 -0.0029 0.0076 3077 ARG 134 CA -0.0012 -0.0037 0.0085 3078 ARG 134 C 0.0001 -0.0039 0.0082 3079 ARG 134 O 0.0004 -0.0034 0.0074 3080 ARG 134 CB -0.0020 -0.0040 0.0092 3081 ARG 134 CG -0.0016 -0.0049 0.0102 3082 ARG 134 CD -0.0022 -0.0051 0.0109 3083 ARG 134 NE -0.0035 -0.0050 0.0113 3084 ARG 134 CZ -0.0040 -0.0055 0.0123 3085 ARG 134 NH1 -0.0034 -0.0062 0.0130 3086 ARG 134 NH2 -0.0052 -0.0052 0.0125 3087 ARG 134 H -0.0016 -0.0025 0.0071 3088 ARG 134 HA -0.0012 -0.0041 0.0090 3089 ARG 134 HB3 -0.0020 -0.0036 0.0088 3090 ARG 134 HB2 -0.0029 -0.0038 0.0094 3091 ARG 134 HG3 -0.0017 -0.0052 0.0107 3092 ARG 134 HG2 -0.0006 -0.0051 0.0101 3093 ARG 134 HD3 -0.0017 -0.0057 0.0114 3094 ARG 134 HD2 -0.0022 -0.0047 0.0103 3095 ARG 134 HH22 -0.0057 -0.0055 0.0131 3096 ARG 134 HH21 -0.0056 -0.0046 0.0118 3097 ARG 134 HH12 -0.0037 -0.0067 0.0137 3098 ARG 134 HH11 -0.0024 -0.0064 0.0128 3099 ARG 134 HE -0.0040 -0.0044 0.0107 3100 LEU 135 N 0.0009 -0.0046 0.0088 3101 LEU 135 CA 0.0021 -0.0050 0.0087 3102 LEU 135 C 0.0020 -0.0052 0.0089 3103 LEU 135 O 0.0014 -0.0056 0.0098 3104 LEU 135 CB 0.0028 -0.0058 0.0094 3105 LEU 135 CG 0.0033 -0.0058 0.0091 3106 LEU 135 CD1 0.0039 -0.0066 0.0100 3107 LEU 135 CD2 0.0043 -0.0054 0.0081 3108 LEU 135 H 0.0006 -0.0050 0.0094 3109 LEU 135 HA 0.0025 -0.0046 0.0079 3110 LEU 135 HB3 0.0035 -0.0061 0.0095 3111 LEU 135 HB2 0.0022 -0.0062 0.0102 3112 LEU 135 HG 0.0026 -0.0054 0.0089 3113 LEU 135 HD11 0.0041 -0.0066 0.0098 3114 LEU 135 HD12 0.0033 -0.0069 0.0107 3115 LEU 135 HD13 0.0047 -0.0069 0.0100 3116 LEU 135 HD21 0.0045 -0.0052 0.0078 3117 LEU 135 HD22 0.0051 -0.0058 0.0082 3118 LEU 135 HD23 0.0040 -0.0048 0.0074 3119 GLU 136 N 0.0014 -0.0033 0.0056 3120 GLU 136 CA 0.0008 -0.0021 0.0045 3121 GLU 136 C 0.0020 -0.0009 0.0052 3122 GLU 136 O 0.0032 -0.0001 0.0060 3123 GLU 136 CB 0.0000 -0.0010 0.0032 3124 GLU 136 CG -0.0014 -0.0010 0.0018 3125 GLU 136 CD -0.0023 0.0000 0.0005 3126 GLU 136 OE1 -0.0017 0.0017 0.0003 3127 GLU 136 OE2 -0.0036 -0.0008 -0.0005 3128 GLU 136 H 0.0022 -0.0025 0.0061 3129 GLU 136 HA -0.0000 -0.0030 0.0041 3130 GLU 136 HB3 0.0007 0.0004 0.0033 3131 GLU 136 HB2 -0.0002 -0.0016 0.0033 3132 GLU 136 HG3 -0.0021 -0.0024 0.0017 3133 GLU 136 HG2 -0.0012 -0.0003 0.0017 3134 LYS 137 N 0.0018 -0.0007 0.0049 3135 LYS 137 CA 0.0029 0.0006 0.0054 3136 LYS 137 C 0.0024 0.0024 0.0041 3137 LYS 137 O 0.0011 0.0022 0.0029 3138 LYS 137 CB 0.0030 -0.0002 0.0059 3139 LYS 137 CG 0.0045 0.0009 0.0068 3140 LYS 137 CD 0.0043 0.0010 0.0067 3141 LYS 137 CE 0.0042 -0.0009 0.0073 3142 LYS 137 NZ 0.0041 -0.0005 0.0071 3143 LYS 137 H 0.0008 -0.0014 0.0042 3144 LYS 137 HA 0.0039 0.0010 0.0063 3145 LYS 137 HB3 0.0021 -0.0002 0.0050 3146 LYS 137 HB2 0.0030 -0.0016 0.0066 3147 LYS 137 HG3 0.0053 0.0002 0.0080 3148 LYS 137 HG2 0.0049 0.0023 0.0066 3149 LYS 137 HD3 0.0053 0.0020 0.0072 3150 LYS 137 HD2 0.0035 0.0015 0.0055 3151 LYS 137 HE3 0.0032 -0.0019 0.0069 3152 LYS 137 HE2 0.0051 -0.0013 0.0085 3153 LYS 137 HZ1 0.0050 0.0006 0.0075 3154 LYS 137 HZ2 0.0041 -0.0016 0.0076 3155 LYS 137 HZ3 0.0032 -0.0001 0.0060 3156 ILE 138 N 0.0041 0.0068 0.0006 3157 ILE 138 CA 0.0040 0.0085 -0.0005 3158 ILE 138 C 0.0048 0.0102 0.0003 3159 ILE 138 O 0.0054 0.0101 0.0019 3160 ILE 138 CB 0.0039 0.0087 -0.0007 3161 ILE 138 CG1 0.0048 0.0089 0.0010 3162 ILE 138 CG2 0.0031 0.0072 -0.0018 3163 ILE 138 CD1 0.0048 0.0095 0.0008 3164 ILE 138 H 0.0048 0.0069 0.0020 3165 ILE 138 HA 0.0034 0.0085 -0.0018 3166 ILE 138 HB 0.0039 0.0101 -0.0015 3167 ILE 138 HG13 0.0054 0.0099 0.0018 3168 ILE 138 HG12 0.0049 0.0075 0.0018 3169 ILE 138 HG21 0.0030 0.0075 -0.0021 3170 ILE 138 HG22 0.0025 0.0072 -0.0031 3171 ILE 138 HG23 0.0031 0.0058 -0.0011 3172 ILE 138 HD11 0.0055 0.0098 0.0020 3173 ILE 138 HD12 0.0047 0.0108 -0.0001 3174 ILE 138 HD13 0.0043 0.0084 0.0002 3175 LEU 139 N 0.0046 0.0119 -0.0007 3176 LEU 139 CA 0.0053 0.0137 -0.0002 3177 LEU 139 C 0.0056 0.0150 -0.0001 3178 LEU 139 O 0.0050 0.0151 -0.0014 3179 LEU 139 CB 0.0048 0.0145 -0.0016 3180 LEU 139 CG 0.0054 0.0162 -0.0011 3181 LEU 139 CD1 0.0060 0.0156 0.0004 3182 LEU 139 CD2 0.0048 0.0170 -0.0027 3183 LEU 139 H 0.0041 0.0120 -0.0019 3184 LEU 139 HA 0.0059 0.0135 0.0011 3185 LEU 139 HB3 0.0043 0.0150 -0.0029 3186 LEU 139 HB2 0.0044 0.0134 -0.0020 3187 LEU 139 HG 0.0058 0.0173 -0.0007 3188 LEU 139 HD11 0.0060 0.0161 0.0002 3189 LEU 139 HD12 0.0067 0.0161 0.0017 3190 LEU 139 HD13 0.0058 0.0140 0.0006 3191 LEU 139 HD21 0.0052 0.0181 -0.0024 3192 LEU 139 HD22 0.0043 0.0159 -0.0033 3193 LEU 139 HD23 0.0045 0.0176 -0.0038 3194 VAL 140 N 0.0042 0.0122 -0.0013 3195 VAL 140 CA 0.0039 0.0117 -0.0006 3196 VAL 140 C 0.0029 0.0118 -0.0005 3197 VAL 140 O 0.0023 0.0122 -0.0009 3198 VAL 140 CB 0.0039 0.0114 -0.0003 3199 VAL 140 CG1 0.0049 0.0111 -0.0002 3200 VAL 140 CG2 0.0033 0.0118 -0.0007 3201 VAL 140 H 0.0038 0.0126 -0.0017 3202 VAL 140 HA 0.0043 0.0113 -0.0003 3203 VAL 140 HB 0.0035 0.0110 0.0003 3204 VAL 140 HG11 0.0048 0.0109 0.0001 3205 VAL 140 HG12 0.0052 0.0108 0.0001 3206 VAL 140 HG13 0.0053 0.0115 -0.0007 3207 VAL 140 HG21 0.0034 0.0117 -0.0005 3208 VAL 140 HG22 0.0036 0.0123 -0.0013 3209 VAL 140 HG23 0.0026 0.0119 -0.0006 3210 SER 141 N 0.0026 0.0113 0.0001 3211 SER 141 CA 0.0017 0.0113 0.0003 3212 SER 141 C 0.0010 0.0111 0.0007 3213 SER 141 O 0.0012 0.0106 0.0013 3214 SER 141 CB 0.0017 0.0109 0.0008 3215 SER 141 OG 0.0023 0.0112 0.0004 3216 SER 141 H 0.0031 0.0110 0.0004 3217 SER 141 HA 0.0014 0.0118 -0.0002 3218 SER 141 HB3 0.0010 0.0109 0.0009 3219 SER 141 HB2 0.0020 0.0105 0.0013 3220 SER 141 HG 0.0029 0.0110 0.0004 3221 VAL 142 N -0.0012 0.0092 0.0001 3222 VAL 142 CA -0.0012 0.0092 0.0002 3223 VAL 142 C -0.0021 0.0091 0.0006 3224 VAL 142 O -0.0022 0.0091 0.0008 3225 VAL 142 CB -0.0011 0.0093 -0.0008 3226 VAL 142 CG1 -0.0002 0.0095 -0.0012 3227 VAL 142 CG2 -0.0019 0.0094 -0.0015 3228 VAL 142 H -0.0015 0.0093 -0.0005 3229 VAL 142 HA -0.0006 0.0092 0.0006 3230 VAL 142 HB -0.0012 0.0093 -0.0007 3231 VAL 142 HG11 -0.0001 0.0096 -0.0018 3232 VAL 142 HG12 0.0003 0.0094 -0.0007 3233 VAL 142 HG13 -0.0001 0.0095 -0.0013 3234 VAL 142 HG21 -0.0018 0.0095 -0.0021 3235 VAL 142 HG22 -0.0018 0.0094 -0.0016 3236 VAL 142 HG23 -0.0026 0.0093 -0.0012 3237 GLY 143 N -0.0027 0.0090 0.0008 3238 GLY 143 CA -0.0036 0.0089 0.0012 3239 GLY 143 C -0.0043 0.0089 0.0009 3240 GLY 143 O -0.0040 0.0090 0.0005 3241 GLY 143 H -0.0027 0.0090 0.0006 3242 GLY 143 HA3 -0.0039 0.0089 0.0009 3243 GLY 143 HA2 -0.0036 0.0088 0.0019 3244 CYS 144 N -0.0075 0.0066 -0.0010 3245 CYS 144 CA -0.0075 0.0063 -0.0008 3246 CYS 144 C -0.0073 0.0059 -0.0010 3247 CYS 144 O -0.0073 0.0060 -0.0013 3248 CYS 144 CB -0.0075 0.0062 -0.0007 3249 CYS 144 SG -0.0076 0.0066 -0.0005 3250 CYS 144 H -0.0074 0.0066 -0.0013 3251 CYS 144 HA -0.0075 0.0063 -0.0006 3252 CYS 144 HB3 -0.0075 0.0060 -0.0005 3253 CYS 144 HB2 -0.0074 0.0062 -0.0009 3254 THR 145 N -0.0073 0.0057 -0.0008 3255 THR 145 CA -0.0072 0.0054 -0.0009 3256 THR 145 C -0.0072 0.0051 -0.0007 3257 THR 145 O -0.0073 0.0051 -0.0003 3258 THR 145 CB -0.0072 0.0053 -0.0009 3259 THR 145 OG1 -0.0071 0.0051 -0.0011 3260 THR 145 CG2 -0.0073 0.0053 -0.0005 3261 THR 145 H -0.0074 0.0057 -0.0005 3262 THR 145 HA -0.0071 0.0053 -0.0012 3263 THR 145 HB -0.0072 0.0056 -0.0010 3264 THR 145 HG1 -0.0070 0.0052 -0.0013 3265 THR 145 HG21 -0.0073 0.0053 -0.0005 3266 THR 145 HG22 -0.0074 0.0055 -0.0004 3267 THR 145 HG23 -0.0072 0.0051 -0.0004 3268 CYS 146 N -0.0077 0.0022 -0.0012 3269 CYS 146 CA -0.0073 0.0016 -0.0008 3270 CYS 146 C -0.0071 0.0013 -0.0002 3271 CYS 146 O -0.0071 0.0013 -0.0005 3272 CYS 146 CB -0.0069 0.0010 -0.0015 3273 CYS 146 SG -0.0064 0.0002 -0.0011 3274 CYS 146 H -0.0077 0.0022 -0.0017 3275 CYS 146 HA -0.0073 0.0017 -0.0005 3276 CYS 146 HB3 -0.0069 0.0009 -0.0018 3277 CYS 146 HB2 -0.0071 0.0012 -0.0020 3278 VAL 147 N -0.0071 0.0013 0.0006 3279 VAL 147 CA -0.0069 0.0010 0.0012 3280 VAL 147 C -0.0065 0.0004 0.0016 3281 VAL 147 O -0.0064 0.0002 0.0016 3282 VAL 147 CB -0.0072 0.0016 0.0019 3283 VAL 147 CG1 -0.0076 0.0022 0.0017 3284 VAL 147 CG2 -0.0073 0.0018 0.0024 3285 VAL 147 H -0.0071 0.0013 0.0007 3286 VAL 147 HA -0.0068 0.0009 0.0010 3287 VAL 147 HB -0.0071 0.0013 0.0024 3288 VAL 147 HG11 -0.0079 0.0026 0.0022 3289 VAL 147 HG12 -0.0076 0.0021 0.0015 3290 VAL 147 HG13 -0.0078 0.0025 0.0012 3291 VAL 147 HG21 -0.0076 0.0022 0.0028 3292 VAL 147 HG22 -0.0074 0.0019 0.0020 3293 VAL 147 HG23 -0.0070 0.0013 0.0027 3294 THR 148 N -0.0047 -0.0054 0.0042 3295 THR 148 CA -0.0026 -0.0053 0.0044 3296 THR 148 C -0.0015 -0.0048 0.0049 3297 THR 148 O -0.0022 -0.0037 0.0055 3298 THR 148 CB -0.0025 -0.0039 0.0053 3299 THR 148 OG1 -0.0034 -0.0024 0.0062 3300 THR 148 CG2 -0.0035 -0.0044 0.0049 3301 THR 148 H -0.0056 -0.0044 0.0047 3302 THR 148 HA -0.0021 -0.0065 0.0037 3303 THR 148 HB -0.0010 -0.0037 0.0056 3304 THR 148 HG1 -0.0027 -0.0020 0.0065 3305 THR 148 HG21 -0.0034 -0.0034 0.0056 3306 THR 148 HG22 -0.0028 -0.0055 0.0043 3307 THR 148 HG23 -0.0051 -0.0046 0.0047 3308 PRO 149 N 0.0003 -0.0056 0.0045 3309 PRO 149 CA 0.0015 -0.0052 0.0049 3310 PRO 149 C 0.0023 -0.0034 0.0061 3311 PRO 149 O 0.0026 -0.0027 0.0065 3312 PRO 149 CB 0.0032 -0.0065 0.0042 3313 PRO 149 CG 0.0034 -0.0071 0.0038 3314 PRO 149 CD 0.0012 -0.0070 0.0037 3315 PRO 149 HA 0.0006 -0.0053 0.0047 3316 PRO 149 HB3 0.0028 -0.0076 0.0035 3317 PRO 149 HB2 0.0046 -0.0061 0.0046 3318 PRO 149 HG3 0.0041 -0.0083 0.0031 3319 PRO 149 HG2 0.0042 -0.0062 0.0045 3320 PRO 149 HD2 0.0012 -0.0068 0.0038 3321 PRO 149 HD3 0.0005 -0.0081 0.0029 3322 VAL 151 N 0.0284 -0.0070 -0.0033 3323 VAL 151 CA 0.0270 -0.0035 -0.0078 3324 VAL 151 C 0.0257 -0.0051 -0.0104 3325 VAL 151 O 0.0266 -0.0063 -0.0079 3326 VAL 151 CB 0.0281 0.0025 -0.0062 3327 VAL 151 CG1 0.0268 0.0066 -0.0106 3328 VAL 151 CG2 0.0294 0.0042 -0.0033 3329 VAL 151 H 0.0296 -0.0063 -0.0005 3330 VAL 151 HA 0.0259 -0.0039 -0.0103 3331 VAL 151 HB 0.0292 0.0028 -0.0036 3332 VAL 151 HG11 0.0277 0.0107 -0.0093 3333 VAL 151 HG12 0.0260 0.0060 -0.0123 3334 VAL 151 HG13 0.0256 0.0063 -0.0135 3335 VAL 151 HG21 0.0303 0.0084 -0.0022 3336 VAL 151 HG22 0.0285 0.0039 -0.0056 3337 VAL 151 HG23 0.0306 0.0018 0.0001 3338 HIS 152 N 0.0238 -0.0050 -0.0154 3339 HIS 152 CA 0.0224 -0.0059 -0.0187 3340 HIS 152 C 0.0205 -0.0038 -0.0240 3341 HIS 152 O 0.0201 -0.0032 -0.0252 3342 HIS 152 CB 0.0218 -0.0119 -0.0186 3343 HIS 152 CG 0.0210 -0.0159 -0.0199 3344 HIS 152 ND1 0.0221 -0.0171 -0.0167 3345 HIS 152 CD2 0.0190 -0.0190 -0.0240 3346 HIS 152 CE1 0.0209 -0.0208 -0.0189 3347 HIS 152 NE2 0.0190 -0.0221 -0.0234 3348 HIS 152 H 0.0231 -0.0040 -0.0174 3349 HIS 152 HA 0.0231 -0.0036 -0.0174 3350 HIS 152 HB3 0.0232 -0.0131 -0.0149 3351 HIS 152 HB2 0.0208 -0.0125 -0.0212 3352 HIS 152 HD1 0.0236 -0.0155 -0.0134 3353 HIS 152 HD2 0.0177 -0.0193 -0.0273 3354 HIS 152 HE1 0.0214 -0.0225 -0.0173 3355 HIS 153 N -0.0128 -0.0301 -0.0264 3356 HIS 153 CA -0.0057 -0.0325 -0.0181 3357 HIS 153 C 0.0062 -0.0231 -0.0210 3358 HIS 153 O 0.0056 -0.0156 -0.0310 3359 HIS 153 CB -0.0134 -0.0360 -0.0194 3360 HIS 153 CG -0.0097 -0.0416 -0.0096 3361 HIS 153 ND1 0.0019 -0.0380 -0.0056 3362 HIS 153 CD2 -0.0164 -0.0508 -0.0030 3363 HIS 153 CE1 0.0018 -0.0449 0.0030 3364 HIS 153 NE2 -0.0090 -0.0529 0.0051 3365 HIS 153 H -0.0147 -0.0248 -0.0344 3366 HIS 153 HA -0.0038 -0.0381 -0.0096 3367 HIS 153 HB3 -0.0134 -0.0300 -0.0270 3368 HIS 153 HB2 -0.0231 -0.0407 -0.0207 3369 HIS 153 HD1 0.0094 -0.0314 -0.0083 3370 HIS 153 HD2 -0.0258 -0.0560 -0.0035 3371 HIS 153 HE1 0.0097 -0.0440 0.0078 3372 ALA 155 N 0.0065 -0.0199 0.0032 3373 ALA 155 CA 0.0097 -0.0235 0.0185 3374 ALA 155 C 0.0135 -0.0180 0.0341 3375 ALA 155 O 0.0141 -0.0053 0.0326 3376 ALA 155 CB 0.0101 -0.0147 0.0177 3377 ALA 155 OXT 0.0157 -0.0262 0.0466 3378 ALA 155 H 0.0065 -0.0079 -0.0003 3379 ALA 155 HA 0.0090 -0.0367 0.0198 3380 ALA 155 HB1 0.0123 -0.0173 0.0286 3381 ALA 155 HB2 0.0075 -0.0188 0.0076 3382 ALA 155 HB3 0.0108 -0.0014 0.0168 3383 ILE 150 N 0.0006 -0.0104 0.0012 3384 ILE 150 CA 0.0019 -0.0095 0.0052 3385 ILE 150 C 0.0052 -0.0092 0.0028 3386 ILE 150 O 0.0036 -0.0101 -0.0004 3387 ILE 150 CB -0.0028 -0.0100 0.0077 3388 ILE 150 CG1 -0.0058 -0.0101 0.0107 3389 ILE 150 CG2 -0.0016 -0.0092 0.0110 3390 ILE 150 CD1 -0.0109 -0.0108 0.0126 3391 ILE 150 H -0.0017 -0.0113 -0.0012 3392 ILE 150 HA 0.0039 -0.0085 0.0081 3393 ILE 150 HB -0.0051 -0.0110 0.0047 3394 ILE 150 HG13 -0.0063 -0.0106 0.0084 3395 ILE 150 HG12 -0.0037 -0.0091 0.0139 3396 ILE 150 HG21 0.0002 -0.0091 0.0089 3397 ILE 150 HG22 0.0007 -0.0082 0.0140 3398 ILE 150 HG23 -0.0050 -0.0096 0.0126 3399 ILE 150 HD11 -0.0131 -0.0110 0.0142 3400 ILE 150 HD12 -0.0130 -0.0117 0.0096 3401 ILE 150 HD13 -0.0105 -0.0102 0.0155 3402 VAL 154 N 0.0151 -0.0225 -0.0190 3403 VAL 154 CA 0.0066 -0.0208 -0.0123 3404 VAL 154 C 0.0110 -0.0223 -0.0059 3405 VAL 154 O 0.0195 -0.0243 -0.0089 3406 VAL 154 CB -0.0028 -0.0179 -0.0197 3407 VAL 154 CG1 -0.0122 -0.0159 -0.0138 3408 VAL 154 CG2 -0.0071 -0.0165 -0.0259 3409 VAL 154 H 0.0170 -0.0226 -0.0256 3410 VAL 154 HA 0.0037 -0.0204 -0.0064 3411 VAL 154 HB 0.0002 -0.0183 -0.0258 3412 VAL 154 HG11 -0.0104 -0.0165 -0.0109 3413 VAL 154 HG12 -0.0151 -0.0156 -0.0069 3414 VAL 154 HG13 -0.0188 -0.0139 -0.0194 3415 VAL 154 HG21 -0.0010 -0.0177 -0.0306 3416 VAL 154 HG22 -0.0132 -0.0146 -0.0316 3417 VAL 154 HG23 -0.0106 -0.0159 -0.0202 3418 ASN 40 N -0.0189 0.0235 -0.0581 3419 ASN 40 CA 0.0004 0.0325 -0.0430 3420 ASN 40 C 0.0009 0.0173 -0.0189 3421 ASN 40 O -0.0080 0.0056 -0.0146 3422 ASN 40 CB 0.0063 0.0435 -0.0509 3423 ASN 40 CG 0.0123 0.0623 -0.0707 3424 ASN 40 OD1 0.0175 0.0707 -0.0757 3425 ASN 40 ND2 0.0121 0.0696 -0.0821 3426 ASN 40 H1 -0.0194 0.0332 -0.0736 3427 ASN 40 H2 -0.0224 0.0171 -0.0536 3428 ASN 40 HA 0.0106 0.0421 -0.0425 3429 ASN 40 HB2 -0.0054 0.0349 -0.0553 3430 ASN 40 HB3 0.0182 0.0464 -0.0376 3431 ASN 40 HD22 0.0160 0.0820 -0.0951 3432 ASN 40 HD21 0.0075 0.0627 -0.0784 3433 ASP 65 N -0.0093 -0.0013 0.0038 3434 ASP 65 CA -0.0089 0.0001 0.0022 3435 ASP 65 C -0.0086 0.0008 0.0019 3436 ASP 65 O -0.0081 0.0022 0.0009 3437 ASP 65 CB -0.0079 0.0016 0.0024 3438 ASP 65 CG -0.0081 0.0013 0.0023 3439 ASP 65 OD1 -0.0092 0.0002 0.0015 3440 ASP 65 OD2 -0.0072 0.0023 0.0029 3441 ASP 65 H -0.0090 -0.0012 0.0045 3442 ASP 65 HA -0.0097 -0.0003 0.0009 3443 ASP 65 HB2 -0.0072 0.0020 0.0037 3444 ASP 65 HB3 -0.0076 0.0027 0.0012