1 PRO 42 N 0.0079 0.0121 0.0195 2 PRO 42 CA 0.0107 0.0089 0.0161 3 PRO 42 C 0.0099 0.0086 0.0151 4 PRO 42 O 0.0056 0.0096 0.0140 5 PRO 42 CB 0.0089 0.0069 0.0117 6 PRO 42 CG 0.0035 0.0092 0.0120 7 PRO 42 CD 0.0037 0.0123 0.0172 8 PRO 42 H 0.0100 0.0128 0.0221 9 PRO 42 HA 0.0147 0.0081 0.0174 10 PRO 42 HB3 0.0112 0.0061 0.0118 11 PRO 42 HB2 0.0091 0.0049 0.0085 12 PRO 42 HG3 0.0022 0.0086 0.0101 13 PRO 42 HG2 0.0010 0.0094 0.0106 14 PRO 42 HD2 0.0003 0.0142 0.0181 15 PRO 42 HD3 0.0041 0.0128 0.0182 16 ARG 43 N 0.0140 0.0071 0.0152 17 ARG 43 CA 0.0139 0.0064 0.0141 18 ARG 43 C 0.0113 0.0044 0.0091 19 ARG 43 O 0.0085 0.0050 0.0083 20 ARG 43 CB 0.0193 0.0049 0.0151 21 ARG 43 CG 0.0199 0.0037 0.0136 22 ARG 43 CD 0.0254 0.0023 0.0148 23 ARG 43 NE 0.0261 0.0009 0.0130 24 ARG 43 CZ 0.0265 -0.0019 0.0087 25 ARG 43 NH1 0.0257 -0.0037 0.0052 26 ARG 43 NH2 0.0277 -0.0029 0.0078 27 ARG 43 H 0.0173 0.0063 0.0162 28 ARG 43 HA 0.0116 0.0086 0.0163 29 ARG 43 HB3 0.0216 0.0029 0.0134 30 ARG 43 HB2 0.0208 0.0065 0.0188 31 ARG 43 HG3 0.0176 0.0057 0.0154 32 ARG 43 HG2 0.0183 0.0021 0.0100 33 ARG 43 HD3 0.0280 0.0007 0.0139 34 ARG 43 HD2 0.0263 0.0042 0.0185 35 ARG 43 HH22 0.0276 -0.0048 0.0046 36 ARG 43 HH21 0.0288 -0.0018 0.0103 37 ARG 43 HH12 0.0260 -0.0058 0.0020 38 ARG 43 HH11 0.0243 -0.0029 0.0056 39 ARG 43 HE 0.0265 0.0022 0.0155 40 THR 44 N 0.0060 0.0004 0.0078 41 THR 44 CA 0.0052 -0.0015 0.0062 42 THR 44 C 0.0031 -0.0016 0.0051 43 THR 44 O 0.0033 -0.0016 0.0052 44 THR 44 CB 0.0072 -0.0036 0.0057 45 THR 44 OG1 0.0091 -0.0033 0.0068 46 THR 44 CG2 0.0065 -0.0057 0.0040 47 THR 44 H 0.0063 0.0005 0.0080 48 THR 44 HA 0.0046 -0.0013 0.0061 49 THR 44 HB 0.0078 -0.0038 0.0059 50 THR 44 HG1 0.0084 -0.0031 0.0067 51 THR 44 HG21 0.0080 -0.0071 0.0038 52 THR 44 HG22 0.0051 -0.0061 0.0031 53 THR 44 HG23 0.0057 -0.0055 0.0037 54 VAL 45 N 0.0011 -0.0018 0.0041 55 VAL 45 CA -0.0011 -0.0018 0.0030 56 VAL 45 C -0.0019 -0.0038 0.0013 57 VAL 45 O -0.0012 -0.0046 0.0011 58 VAL 45 CB -0.0030 0.0003 0.0035 59 VAL 45 CG1 -0.0021 0.0023 0.0052 60 VAL 45 CG2 -0.0038 0.0007 0.0034 61 VAL 45 H 0.0011 -0.0018 0.0040 62 VAL 45 HA -0.0009 -0.0021 0.0030 63 VAL 45 HB -0.0046 0.0002 0.0027 64 VAL 45 HG11 -0.0035 0.0037 0.0056 65 VAL 45 HG12 -0.0015 0.0020 0.0054 66 VAL 45 HG13 -0.0007 0.0026 0.0061 67 VAL 45 HG21 -0.0050 0.0022 0.0039 68 VAL 45 HG22 -0.0023 0.0007 0.0041 69 VAL 45 HG23 -0.0046 -0.0006 0.0022 70 MET 46 N -0.0048 -0.0047 0.0014 71 MET 46 CA -0.0049 -0.0045 0.0005 72 MET 46 C -0.0053 -0.0029 -0.0004 73 MET 46 O -0.0054 -0.0025 -0.0012 74 MET 46 CB -0.0048 -0.0060 -0.0008 75 MET 46 CG -0.0045 -0.0076 -0.0000 76 MET 46 SD -0.0044 -0.0093 -0.0015 77 MET 46 CE -0.0044 -0.0096 -0.0023 78 MET 46 H -0.0048 -0.0050 0.0007 79 MET 46 HA -0.0048 -0.0046 0.0013 80 MET 46 HB3 -0.0050 -0.0057 -0.0017 81 MET 46 HB2 -0.0049 -0.0060 -0.0016 82 MET 46 HG3 -0.0044 -0.0080 0.0008 83 MET 46 HG2 -0.0044 -0.0076 0.0008 84 MET 46 HE1 -0.0044 -0.0106 -0.0032 85 MET 46 HE2 -0.0043 -0.0099 -0.0013 86 MET 46 HE3 -0.0047 -0.0085 -0.0030 87 VAL 47 N -0.0054 -0.0020 -0.0004 88 VAL 47 CA -0.0057 -0.0005 -0.0013 89 VAL 47 C -0.0058 -0.0007 -0.0024 90 VAL 47 O -0.0057 -0.0011 -0.0018 91 VAL 47 CB -0.0058 0.0010 -0.0001 92 VAL 47 CG1 -0.0062 0.0027 -0.0010 93 VAL 47 CG2 -0.0058 0.0013 0.0011 94 VAL 47 H -0.0053 -0.0024 0.0003 95 VAL 47 HA -0.0059 -0.0002 -0.0021 96 VAL 47 HB -0.0057 0.0008 0.0007 97 VAL 47 HG11 -0.0062 0.0037 -0.0001 98 VAL 47 HG12 -0.0062 0.0026 -0.0017 99 VAL 47 HG13 -0.0063 0.0030 -0.0019 100 VAL 47 HG21 -0.0059 0.0024 0.0019 101 VAL 47 HG22 -0.0059 0.0014 0.0004 102 VAL 47 HG23 -0.0055 0.0002 0.0019 103 ASN 48 N -0.0034 0.0016 -0.0033 104 ASN 48 CA -0.0034 0.0019 -0.0044 105 ASN 48 C -0.0042 0.0028 -0.0045 106 ASN 48 O -0.0046 0.0032 -0.0043 107 ASN 48 CB -0.0030 0.0016 -0.0050 108 ASN 48 CG -0.0028 0.0018 -0.0062 109 ASN 48 OD1 -0.0031 0.0022 -0.0067 110 ASN 48 ND2 -0.0025 0.0016 -0.0067 111 ASN 48 H -0.0034 0.0015 -0.0031 112 ASN 48 HA -0.0031 0.0016 -0.0046 113 ASN 48 HB3 -0.0032 0.0018 -0.0047 114 ASN 48 HB2 -0.0024 0.0010 -0.0048 115 ASN 48 HD22 -0.0025 0.0018 -0.0074 116 ASN 48 HD21 -0.0023 0.0013 -0.0063 117 LEU 49 N -0.0044 0.0031 -0.0049 118 LEU 49 CA -0.0051 0.0039 -0.0049 119 LEU 49 C -0.0053 0.0045 -0.0059 120 LEU 49 O -0.0060 0.0052 -0.0060 121 LEU 49 CB -0.0052 0.0040 -0.0049 122 LEU 49 CG -0.0052 0.0036 -0.0039 123 LEU 49 CD1 -0.0053 0.0038 -0.0040 124 LEU 49 CD2 -0.0057 0.0039 -0.0029 125 LEU 49 H -0.0040 0.0027 -0.0051 126 LEU 49 HA -0.0055 0.0041 -0.0043 127 LEU 49 HB3 -0.0057 0.0046 -0.0051 128 LEU 49 HB2 -0.0048 0.0037 -0.0056 129 LEU 49 HG -0.0046 0.0030 -0.0037 130 LEU 49 HD11 -0.0056 0.0039 -0.0032 131 LEU 49 HD12 -0.0048 0.0033 -0.0042 132 LEU 49 HD13 -0.0056 0.0044 -0.0045 133 LEU 49 HD21 -0.0059 0.0039 -0.0023 134 LEU 49 HD22 -0.0062 0.0045 -0.0032 135 LEU 49 HD23 -0.0054 0.0036 -0.0026 136 ASN 50 N -0.0020 0.0039 -0.0056 137 ASN 50 CA -0.0016 0.0045 -0.0064 138 ASN 50 C -0.0018 0.0042 -0.0061 139 ASN 50 O -0.0009 0.0036 -0.0061 140 ASN 50 CB -0.0004 0.0044 -0.0072 141 ASN 50 CG -0.0003 0.0049 -0.0077 142 ASN 50 OD1 -0.0011 0.0056 -0.0078 143 ASN 50 ND2 0.0007 0.0047 -0.0082 144 ASN 50 H -0.0014 0.0033 -0.0055 145 ASN 50 HA -0.0022 0.0053 -0.0068 146 ASN 50 HB3 -0.0001 0.0047 -0.0077 147 ASN 50 HB2 0.0001 0.0036 -0.0068 148 ASN 50 HD22 0.0008 0.0051 -0.0086 149 ASN 50 HD21 0.0014 0.0042 -0.0082 150 ILE 51 N -0.0028 0.0047 -0.0058 151 ILE 51 CA -0.0032 0.0045 -0.0053 152 ILE 51 C -0.0024 0.0045 -0.0059 153 ILE 51 O -0.0020 0.0051 -0.0068 154 ILE 51 CB -0.0044 0.0052 -0.0052 155 ILE 51 CG1 -0.0053 0.0051 -0.0045 156 ILE 51 CG2 -0.0049 0.0051 -0.0049 157 ILE 51 CD1 -0.0064 0.0061 -0.0047 158 ILE 51 H -0.0034 0.0051 -0.0058 159 ILE 51 HA -0.0032 0.0037 -0.0047 160 ILE 51 HB -0.0044 0.0060 -0.0059 161 ILE 51 HG13 -0.0049 0.0049 -0.0046 162 ILE 51 HG12 -0.0055 0.0045 -0.0038 163 ILE 51 HG21 -0.0057 0.0056 -0.0047 164 ILE 51 HG22 -0.0044 0.0054 -0.0054 165 ILE 51 HG23 -0.0048 0.0044 -0.0042 166 ILE 51 HD11 -0.0069 0.0060 -0.0043 167 ILE 51 HD12 -0.0061 0.0067 -0.0054 168 ILE 51 HD13 -0.0069 0.0063 -0.0045 169 HIS 52 N -0.0015 0.0028 -0.0039 170 HIS 52 CA -0.0008 0.0025 -0.0037 171 HIS 52 C -0.0008 0.0019 -0.0037 172 HIS 52 O -0.0013 0.0015 -0.0040 173 HIS 52 CB -0.0004 0.0022 -0.0035 174 HIS 52 CG -0.0002 0.0028 -0.0033 175 HIS 52 ND1 -0.0003 0.0036 -0.0033 176 HIS 52 CD2 0.0002 0.0028 -0.0032 177 HIS 52 CE1 0.0001 0.0039 -0.0031 178 HIS 52 NE2 0.0004 0.0035 -0.0030 179 HIS 52 H -0.0018 0.0024 -0.0041 180 HIS 52 HA -0.0005 0.0029 -0.0035 181 HIS 52 HB3 0.0000 0.0018 -0.0034 182 HIS 52 HB2 -0.0008 0.0019 -0.0037 183 HIS 52 HD1 -0.0005 0.0038 -0.0034 184 HIS 52 HD2 0.0004 0.0023 -0.0031 185 HIS 52 HE1 0.0001 0.0045 -0.0030 186 ASN 53 N -0.0003 0.0018 -0.0035 187 ASN 53 CA -0.0003 0.0012 -0.0036 188 ASN 53 C 0.0002 0.0005 -0.0034 189 ASN 53 O 0.0007 0.0006 -0.0032 190 ASN 53 CB 0.0001 0.0014 -0.0034 191 ASN 53 CG -0.0004 0.0019 -0.0036 192 ASN 53 OD1 -0.0005 0.0017 -0.0036 193 ASN 53 ND2 -0.0008 0.0024 -0.0037 194 ASN 53 H 0.0001 0.0020 -0.0033 195 ASN 53 HA -0.0008 0.0010 -0.0038 196 ASN 53 HB3 0.0002 0.0009 -0.0034 197 ASN 53 HB2 0.0005 0.0018 -0.0032 198 ASN 53 HD22 -0.0011 0.0028 -0.0038 199 ASN 53 HD21 -0.0008 0.0026 -0.0037 200 ARG 54 N 0.0002 -0.0002 -0.0034 201 ARG 54 CA 0.0003 -0.0005 -0.0035 202 ARG 54 C 0.0004 -0.0004 -0.0035 203 ARG 54 O 0.0001 -0.0005 -0.0034 204 ARG 54 CB 0.0001 -0.0008 -0.0034 205 ARG 54 CG 0.0002 -0.0012 -0.0035 206 ARG 54 CD 0.0005 -0.0013 -0.0036 207 ARG 54 NE 0.0005 -0.0014 -0.0036 208 ARG 54 CZ 0.0008 -0.0015 -0.0037 209 ARG 54 NH1 0.0011 -0.0016 -0.0039 210 ARG 54 NH2 0.0008 -0.0016 -0.0037 211 ARG 54 H -0.0001 -0.0001 -0.0033 212 ARG 54 HA 0.0006 -0.0005 -0.0036 213 ARG 54 HB3 -0.0002 -0.0008 -0.0033 214 ARG 54 HB2 0.0001 -0.0009 -0.0034 215 ARG 54 HG3 0.0002 -0.0012 -0.0035 216 ARG 54 HG2 -0.0000 -0.0014 -0.0034 217 ARG 54 HD3 0.0007 -0.0011 -0.0037 218 ARG 54 HD2 0.0006 -0.0016 -0.0037 219 ARG 54 HH22 0.0009 -0.0017 -0.0038 220 ARG 54 HH21 0.0005 -0.0015 -0.0036 221 ARG 54 HH12 0.0013 -0.0016 -0.0040 222 ARG 54 HH11 0.0011 -0.0015 -0.0039 223 ARG 54 HE 0.0003 -0.0014 -0.0035 224 ASN 55 N 0.0007 -0.0004 -0.0037 225 ASN 55 CA 0.0008 -0.0004 -0.0037 226 ASN 55 C 0.0006 -0.0001 -0.0036 227 ASN 55 O 0.0006 -0.0001 -0.0036 228 ASN 55 CB 0.0008 -0.0007 -0.0037 229 ASN 55 CG 0.0010 -0.0010 -0.0038 230 ASN 55 OD1 0.0010 -0.0012 -0.0038 231 ASN 55 ND2 0.0013 -0.0010 -0.0040 232 ASN 55 H 0.0008 -0.0003 -0.0037 233 ASN 55 HA 0.0010 -0.0003 -0.0038 234 ASN 55 HB3 0.0008 -0.0007 -0.0037 235 ASN 55 HB2 0.0005 -0.0009 -0.0036 236 ASN 55 HD22 0.0015 -0.0011 -0.0040 237 ASN 55 HD21 0.0014 -0.0008 -0.0040 238 THR 56 N 0.0005 -0.0013 -0.0040 239 THR 56 CA -0.0003 -0.0005 -0.0039 240 THR 56 C -0.0011 0.0005 -0.0049 241 THR 56 O -0.0019 0.0014 -0.0047 242 THR 56 CB 0.0002 -0.0009 -0.0043 243 THR 56 OG1 0.0008 -0.0015 -0.0056 244 THR 56 CG2 0.0008 -0.0017 -0.0032 245 THR 56 H 0.0012 -0.0020 -0.0044 246 THR 56 HA -0.0006 -0.0002 -0.0028 247 THR 56 HB -0.0004 -0.0002 -0.0045 248 THR 56 HG1 0.0009 -0.0016 -0.0060 249 THR 56 HG21 0.0011 -0.0020 -0.0035 250 THR 56 HG22 0.0004 -0.0013 -0.0022 251 THR 56 HG23 0.0014 -0.0023 -0.0030 252 ASN 57 N -0.0009 0.0004 -0.0060 253 ASN 57 CA -0.0016 0.0012 -0.0069 254 ASN 57 C -0.0019 0.0015 -0.0064 255 ASN 57 O -0.0024 0.0021 -0.0071 256 ASN 57 CB -0.0012 0.0009 -0.0085 257 ASN 57 CG -0.0012 0.0009 -0.0091 258 ASN 57 OD1 -0.0004 0.0001 -0.0092 259 ASN 57 ND2 -0.0020 0.0018 -0.0096 260 ASN 57 H -0.0002 -0.0004 -0.0061 261 ASN 57 HA -0.0022 0.0019 -0.0068 262 ASN 57 HB3 -0.0017 0.0014 -0.0091 263 ASN 57 HB2 -0.0005 0.0001 -0.0085 264 ASN 57 HD22 -0.0020 0.0018 -0.0100 265 ASN 57 HD21 -0.0026 0.0025 -0.0095 266 THR 58 N -0.0020 -0.0007 -0.0056 267 THR 58 CA -0.0026 0.0002 -0.0048 268 THR 58 C -0.0027 0.0006 -0.0043 269 THR 58 O -0.0018 0.0005 -0.0039 270 THR 58 CB -0.0018 0.0005 -0.0040 271 THR 58 OG1 -0.0015 -0.0001 -0.0045 272 THR 58 CG2 -0.0024 0.0014 -0.0032 273 THR 58 H -0.0012 -0.0009 -0.0053 274 THR 58 HA -0.0034 0.0003 -0.0051 275 THR 58 HB -0.0010 0.0004 -0.0036 276 THR 58 HG1 -0.0015 -0.0006 -0.0051 277 THR 58 HG21 -0.0018 0.0016 -0.0026 278 THR 58 HG22 -0.0026 0.0018 -0.0027 279 THR 58 HG23 -0.0032 0.0015 -0.0035 280 ASN 59 N -0.0038 0.0011 -0.0043 281 ASN 59 CA -0.0041 0.0015 -0.0040 282 ASN 59 C -0.0036 0.0009 -0.0044 283 ASN 59 O -0.0030 0.0011 -0.0038 284 ASN 59 CB -0.0038 0.0023 -0.0028 285 ASN 59 CG -0.0044 0.0030 -0.0023 286 ASN 59 OD1 -0.0054 0.0031 -0.0027 287 ASN 59 ND2 -0.0038 0.0034 -0.0014 288 ASN 59 H -0.0045 0.0012 -0.0046 289 ASN 59 HA -0.0051 0.0017 -0.0042 290 ASN 59 HB3 -0.0041 0.0026 -0.0026 291 ASN 59 HB2 -0.0029 0.0021 -0.0025 292 ASN 59 HD22 -0.0042 0.0039 -0.0011 293 ASN 59 HD21 -0.0030 0.0033 -0.0011 294 PRO 60 N -0.0042 0.0012 -0.0055 295 PRO 60 CA -0.0029 -0.0003 -0.0057 296 PRO 60 C -0.0026 0.0002 -0.0052 297 PRO 60 O -0.0034 0.0017 -0.0048 298 PRO 60 CB -0.0038 -0.0020 -0.0072 299 PRO 60 CG -0.0060 -0.0011 -0.0079 300 PRO 60 CD -0.0059 0.0006 -0.0069 301 PRO 60 HA -0.0015 -0.0007 -0.0051 302 PRO 60 HXT -0.0016 -0.0009 -0.0053 303 PRO 60 HB3 -0.0033 -0.0028 -0.0074 304 PRO 60 HB2 -0.0036 -0.0029 -0.0077 305 PRO 60 HG3 -0.0067 -0.0020 -0.0089 306 PRO 60 HG2 -0.0066 -0.0006 -0.0080 307 PRO 60 HD2 -0.0072 0.0018 -0.0069 308 PRO 60 HD3 -0.0059 0.0002 -0.0071 309 ASP 65 N 0.0091 0.0027 -0.0165 310 ASP 65 CA 0.0060 0.0025 -0.0183 311 ASP 65 C 0.0042 0.0025 -0.0149 312 ASP 65 O 0.0010 0.0023 -0.0154 313 ASP 65 CB 0.0028 0.0022 -0.0208 314 ASP 65 CG -0.0001 0.0019 -0.0234 315 ASP 65 OD1 0.0015 0.0019 -0.0260 316 ASP 65 OD2 -0.0039 0.0017 -0.0226 317 ASP 65 H1 0.0079 0.0026 -0.0167 318 ASP 65 H2 0.0116 0.0027 -0.0184 319 ASP 65 HA 0.0076 0.0024 -0.0203 320 ASP 65 HB3 0.0010 0.0022 -0.0187 321 ASP 65 HB2 0.0043 0.0022 -0.0229 322 TYR 66 N 0.0065 0.0028 -0.0115 323 TYR 66 CA 0.0055 0.0029 -0.0080 324 TYR 66 C 0.0050 0.0028 -0.0093 325 TYR 66 O 0.0027 0.0028 -0.0073 326 TYR 66 CB 0.0087 0.0032 -0.0045 327 TYR 66 CG 0.0093 0.0034 -0.0026 328 TYR 66 CD1 0.0060 0.0032 -0.0023 329 TYR 66 CD2 0.0131 0.0036 -0.0008 330 TYR 66 CE1 0.0066 0.0033 -0.0003 331 TYR 66 CE2 0.0137 0.0038 0.0011 332 TYR 66 CZ 0.0105 0.0036 0.0015 333 TYR 66 OH 0.0110 0.0037 0.0035 334 TYR 66 H 0.0089 0.0029 -0.0112 335 TYR 66 HA 0.0024 0.0028 -0.0068 336 TYR 66 HB3 0.0078 0.0033 -0.0020 337 TYR 66 HB2 0.0116 0.0033 -0.0057 338 TYR 66 HD1 0.0030 0.0030 -0.0035 339 TYR 66 HD2 0.0157 0.0038 -0.0010 340 TYR 66 HE1 0.0041 0.0032 0.0000 341 TYR 66 HE2 0.0167 0.0040 0.0025 342 TYR 66 HH 0.0086 0.0036 0.0041 343 TYR 67 N 0.0077 0.0002 -0.0128 344 TYR 67 CA 0.0069 0.0004 -0.0127 345 TYR 67 C 0.0029 0.0021 -0.0140 346 TYR 67 O 0.0014 0.0025 -0.0126 347 TYR 67 CB 0.0101 -0.0005 -0.0151 348 TYR 67 CG 0.0099 -0.0000 -0.0196 349 TYR 67 CD1 0.0109 -0.0002 -0.0217 350 TYR 67 CD2 0.0087 0.0006 -0.0218 351 TYR 67 CE1 0.0105 0.0004 -0.0259 352 TYR 67 CE2 0.0083 0.0012 -0.0259 353 TYR 67 CZ 0.0092 0.0010 -0.0280 354 TYR 67 OH 0.0086 0.0016 -0.0320 355 TYR 67 H 0.0094 -0.0003 -0.0151 356 TYR 67 HA 0.0071 0.0001 -0.0096 357 TYR 67 HB3 0.0128 -0.0016 -0.0142 358 TYR 67 HB2 0.0099 -0.0005 -0.0142 359 TYR 67 HD1 0.0119 -0.0007 -0.0202 360 TYR 67 HD2 0.0080 0.0007 -0.0202 361 TYR 67 HE1 0.0111 0.0003 -0.0275 362 TYR 67 HE2 0.0073 0.0017 -0.0276 363 TYR 67 HH 0.0086 0.0017 -0.0329 364 ASN 68 N 0.0012 0.0029 -0.0166 365 ASN 68 CA -0.0027 0.0045 -0.0179 366 ASN 68 C -0.0054 0.0052 -0.0152 367 ASN 68 O -0.0084 0.0062 -0.0140 368 ASN 68 CB -0.0030 0.0050 -0.0222 369 ASN 68 CG -0.0017 0.0048 -0.0254 370 ASN 68 OD1 -0.0028 0.0052 -0.0251 371 ASN 68 ND2 0.0005 0.0043 -0.0284 372 ASN 68 H 0.0026 0.0025 -0.0176 373 ASN 68 HA -0.0034 0.0047 -0.0177 374 ASN 68 HB3 -0.0059 0.0062 -0.0229 375 ASN 68 HB2 -0.0015 0.0045 -0.0227 376 ASN 68 HD22 0.0015 0.0041 -0.0305 377 ASN 68 HD21 0.0014 0.0040 -0.0286 378 ARG 69 N -0.0016 0.0012 -0.0112 379 ARG 69 CA -0.0039 0.0008 -0.0087 380 ARG 69 C -0.0041 0.0008 -0.0059 381 ARG 69 O -0.0060 0.0005 -0.0039 382 ARG 69 CB -0.0029 0.0010 -0.0076 383 ARG 69 CG -0.0033 0.0009 -0.0100 384 ARG 69 CD -0.0015 0.0013 -0.0092 385 ARG 69 NE -0.0020 0.0012 -0.0059 386 ARG 69 CZ -0.0000 0.0016 -0.0039 387 ARG 69 NH1 -0.0009 0.0014 -0.0009 388 ARG 69 NH2 0.0028 0.0021 -0.0048 389 ARG 69 H 0.0003 0.0016 -0.0115 390 ARG 69 HA -0.0062 0.0004 -0.0098 391 ARG 69 HB3 -0.0044 0.0008 -0.0055 392 ARG 69 HB2 -0.0006 0.0015 -0.0067 393 ARG 69 HG3 -0.0023 0.0011 -0.0122 394 ARG 69 HG2 -0.0057 0.0005 -0.0106 395 ARG 69 HD3 0.0009 0.0017 -0.0099 396 ARG 69 HD2 -0.0024 0.0011 -0.0106 397 ARG 69 HH22 0.0044 0.0024 -0.0034 398 ARG 69 HH21 0.0035 0.0022 -0.0070 399 ARG 69 HH12 0.0004 0.0017 0.0007 400 ARG 69 HH11 -0.0031 0.0011 -0.0002 401 ARG 69 HE -0.0042 0.0008 -0.0051 402 SER 70 N -0.0020 0.0012 -0.0057 403 SER 70 CA -0.0020 0.0012 -0.0032 404 SER 70 C -0.0048 0.0007 -0.0034 405 SER 70 O -0.0058 0.0005 -0.0059 406 SER 70 CB 0.0012 0.0018 -0.0033 407 SER 70 OG 0.0014 0.0019 -0.0011 408 SER 70 H -0.0006 0.0014 -0.0076 409 SER 70 HA -0.0021 0.0012 -0.0010 410 SER 70 HB3 0.0016 0.0019 -0.0056 411 SER 70 HB2 0.0030 0.0021 -0.0027 412 SER 70 HG 0.0027 0.0021 0.0007 413 THR 71 N -0.0007 0.0017 0.0004 414 THR 71 CA -0.0014 0.0015 0.0004 415 THR 71 C -0.0014 0.0016 0.0000 416 THR 71 O -0.0021 0.0015 -0.0002 417 THR 71 CB -0.0016 0.0010 0.0012 418 THR 71 OG1 -0.0009 0.0010 0.0017 419 THR 71 CG2 -0.0017 0.0008 0.0016 420 THR 71 H -0.0003 0.0016 0.0009 421 THR 71 HA -0.0019 0.0015 0.0001 422 THR 71 HB -0.0021 0.0008 0.0013 423 THR 71 HG1 -0.0005 0.0011 0.0018 424 THR 71 HG21 -0.0019 0.0004 0.0022 425 THR 71 HG22 -0.0023 0.0007 0.0013 426 THR 71 HG23 -0.0012 0.0009 0.0016 427 SER 72 N -0.0007 0.0019 -0.0000 428 SER 72 CA -0.0006 0.0021 -0.0004 429 SER 72 C -0.0001 0.0026 -0.0010 430 SER 72 O 0.0006 0.0028 -0.0009 431 SER 72 CB -0.0003 0.0020 0.0002 432 SER 72 OG 0.0004 0.0020 0.0007 433 SER 72 H -0.0002 0.0020 0.0002 434 SER 72 HA -0.0012 0.0021 -0.0007 435 SER 72 HB3 -0.0007 0.0016 0.0006 436 SER 72 HB2 -0.0001 0.0021 -0.0000 437 SER 72 HG 0.0007 0.0023 0.0003 438 PRO 73 N -0.0005 0.0036 -0.0032 439 PRO 73 CA 0.0002 0.0027 -0.0049 440 PRO 73 C 0.0016 0.0018 -0.0047 441 PRO 73 O 0.0017 0.0020 -0.0035 442 PRO 73 CB -0.0011 0.0033 -0.0063 443 PRO 73 CG -0.0022 0.0042 -0.0052 444 PRO 73 CD -0.0021 0.0046 -0.0034 445 PRO 73 HA 0.0006 0.0023 -0.0053 446 PRO 73 HB3 -0.0018 0.0036 -0.0069 447 PRO 73 HB2 -0.0007 0.0028 -0.0074 448 PRO 73 HG3 -0.0034 0.0049 -0.0059 449 PRO 73 HG2 -0.0017 0.0040 -0.0049 450 PRO 73 HD2 -0.0022 0.0049 -0.0022 451 PRO 73 HD3 -0.0030 0.0052 -0.0035 452 TRP 74 N 0.0027 0.0009 -0.0059 453 TRP 74 CA 0.0041 -0.0001 -0.0058 454 TRP 74 C 0.0045 -0.0008 -0.0077 455 TRP 74 O 0.0037 -0.0006 -0.0091 456 TRP 74 CB 0.0055 -0.0007 -0.0046 457 TRP 74 CG 0.0060 -0.0013 -0.0054 458 TRP 74 CD1 0.0072 -0.0023 -0.0064 459 TRP 74 CD2 0.0055 -0.0009 -0.0052 460 TRP 74 NE1 0.0075 -0.0025 -0.0068 461 TRP 74 CE2 0.0064 -0.0017 -0.0061 462 TRP 74 CE3 0.0043 0.0001 -0.0043 463 TRP 74 CZ2 0.0062 -0.0015 -0.0061 464 TRP 74 CZ3 0.0040 0.0003 -0.0043 465 TRP 74 CH2 0.0050 -0.0005 -0.0052 466 TRP 74 H 0.0025 0.0008 -0.0069 467 TRP 74 HA 0.0040 0.0001 -0.0051 468 TRP 74 HB3 0.0051 -0.0002 -0.0033 469 TRP 74 HB2 0.0065 -0.0013 -0.0043 470 TRP 74 HD1 0.0079 -0.0028 -0.0068 471 TRP 74 HE1 0.0084 -0.0033 -0.0075 472 TRP 74 HE3 0.0035 0.0008 -0.0036 473 TRP 74 HZ2 0.0070 -0.0022 -0.0068 474 TRP 74 HZ3 0.0031 0.0011 -0.0036 475 TRP 74 HH2 0.0048 -0.0004 -0.0052 476 ASN 75 N 0.0065 -0.0060 -0.0050 477 ASN 75 CA 0.0068 -0.0067 -0.0058 478 ASN 75 C 0.0077 -0.0073 -0.0055 479 ASN 75 O 0.0081 -0.0072 -0.0048 480 ASN 75 CB 0.0067 -0.0069 -0.0061 481 ASN 75 CG 0.0059 -0.0064 -0.0064 482 ASN 75 OD1 0.0055 -0.0058 -0.0059 483 ASN 75 ND2 0.0055 -0.0067 -0.0073 484 ASN 75 H 0.0070 -0.0060 -0.0044 485 ASN 75 HA 0.0064 -0.0068 -0.0064 486 ASN 75 HB3 0.0070 -0.0074 -0.0065 487 ASN 75 HB2 0.0071 -0.0068 -0.0055 488 ASN 75 HD22 0.0049 -0.0064 -0.0076 489 ASN 75 HD21 0.0058 -0.0072 -0.0077 490 LEU 76 N 0.0079 -0.0079 -0.0062 491 LEU 76 CA 0.0087 -0.0085 -0.0061 492 LEU 76 C 0.0092 -0.0091 -0.0064 493 LEU 76 O 0.0088 -0.0092 -0.0071 494 LEU 76 CB 0.0086 -0.0088 -0.0067 495 LEU 76 CG 0.0082 -0.0084 -0.0065 496 LEU 76 CD1 0.0081 -0.0087 -0.0072 497 LEU 76 CD2 0.0087 -0.0082 -0.0055 498 LEU 76 H 0.0075 -0.0080 -0.0068 499 LEU 76 HA 0.0090 -0.0083 -0.0054 500 LEU 76 HB3 0.0092 -0.0093 -0.0067 501 LEU 76 HB2 0.0083 -0.0090 -0.0074 502 LEU 76 HG 0.0076 -0.0079 -0.0065 503 LEU 76 HD11 0.0076 -0.0083 -0.0072 504 LEU 76 HD12 0.0080 -0.0090 -0.0079 505 LEU 76 HD13 0.0086 -0.0091 -0.0070 506 LEU 76 HD21 0.0088 -0.0082 -0.0055 507 LEU 76 HD22 0.0093 -0.0085 -0.0052 508 LEU 76 HD23 0.0084 -0.0076 -0.0051 509 HIS 77 N 0.0097 -0.0109 -0.0005 510 HIS 77 CA 0.0085 -0.0094 -0.0006 511 HIS 77 C 0.0065 -0.0070 -0.0003 512 HIS 77 O 0.0059 -0.0066 -0.0014 513 HIS 77 CB 0.0082 -0.0102 -0.0034 514 HIS 77 CG 0.0101 -0.0127 -0.0038 515 HIS 77 ND1 0.0114 -0.0145 -0.0046 516 HIS 77 CD2 0.0110 -0.0136 -0.0035 517 HIS 77 CE1 0.0130 -0.0164 -0.0047 518 HIS 77 NE2 0.0128 -0.0159 -0.0041 519 HIS 77 H 0.0092 -0.0108 -0.0020 520 HIS 77 HA 0.0092 -0.0095 0.0012 521 HIS 77 HB3 0.0073 -0.0091 -0.0035 522 HIS 77 HB2 0.0075 -0.0100 -0.0052 523 HIS 77 HD1 0.0113 -0.0145 -0.0049 524 HIS 77 HD2 0.0105 -0.0127 -0.0029 525 HIS 77 HE1 0.0143 -0.0181 -0.0051 526 ARG 78 N 0.0057 -0.0054 0.0014 527 ARG 78 CA 0.0040 -0.0030 0.0021 528 ARG 78 C 0.0022 -0.0017 -0.0002 529 ARG 78 O 0.0020 -0.0017 -0.0007 530 ARG 78 CB 0.0041 -0.0020 0.0050 531 ARG 78 CG 0.0025 0.0005 0.0063 532 ARG 78 CD 0.0027 0.0013 0.0092 533 ARG 78 NE 0.0011 0.0038 0.0104 534 ARG 78 CZ -0.0005 0.0055 0.0099 535 ARG 78 NH1 -0.0019 0.0076 0.0111 536 ARG 78 NH2 -0.0008 0.0051 0.0082 537 ARG 78 H 0.0063 -0.0058 0.0020 538 ARG 78 HA 0.0039 -0.0028 0.0023 539 ARG 78 HB3 0.0041 -0.0020 0.0048 540 ARG 78 HB2 0.0055 -0.0030 0.0065 541 ARG 78 HG3 0.0026 0.0004 0.0065 542 ARG 78 HG2 0.0010 0.0017 0.0049 543 ARG 78 HD3 0.0033 0.0008 0.0094 544 ARG 78 HD2 0.0039 0.0005 0.0107 545 ARG 78 HH22 -0.0022 0.0065 0.0076 546 ARG 78 HH21 0.0002 0.0036 0.0072 547 ARG 78 HH12 -0.0033 0.0090 0.0104 548 ARG 78 HH11 -0.0018 0.0081 0.0126 549 ARG 78 HE 0.0011 0.0041 0.0115 550 ASN 79 N -0.0007 -0.0000 0.0004 551 ASN 79 CA -0.0029 0.0005 -0.0008 552 ASN 79 C -0.0032 0.0024 0.0000 553 ASN 79 O -0.0021 0.0023 0.0007 554 ASN 79 CB -0.0032 -0.0016 -0.0021 555 ASN 79 CG -0.0054 -0.0014 -0.0035 556 ASN 79 OD1 -0.0063 0.0000 -0.0034 557 ASN 79 ND2 -0.0061 -0.0030 -0.0049 558 ASN 79 H 0.0003 -0.0006 0.0007 559 ASN 79 HA -0.0039 0.0009 -0.0013 560 ASN 79 HB3 -0.0022 -0.0019 -0.0017 561 ASN 79 HB2 -0.0026 -0.0029 -0.0025 562 ASN 79 HD22 -0.0076 -0.0030 -0.0058 563 ASN 79 HD21 -0.0052 -0.0044 -0.0050 564 GLU 80 N -0.0047 0.0042 0.0000 565 GLU 80 CA -0.0051 0.0062 0.0008 566 GLU 80 C -0.0074 0.0068 -0.0004 567 GLU 80 O -0.0086 0.0065 -0.0014 568 GLU 80 CB -0.0047 0.0080 0.0021 569 GLU 80 CG -0.0051 0.0102 0.0030 570 GLU 80 CD -0.0042 0.0118 0.0045 571 GLU 80 OE1 -0.0042 0.0118 0.0045 572 GLU 80 OE2 -0.0033 0.0129 0.0057 573 GLU 80 H -0.0056 0.0042 -0.0007 574 GLU 80 HA -0.0042 0.0060 0.0013 575 GLU 80 HB3 -0.0055 0.0082 0.0016 576 GLU 80 HB2 -0.0031 0.0075 0.0029 577 GLU 80 HG3 -0.0045 0.0100 0.0033 578 GLU 80 HG2 -0.0067 0.0109 0.0023 579 ASP 81 N -0.0069 0.0078 -0.0008 580 ASP 81 CA -0.0071 0.0073 -0.0005 581 ASP 81 C -0.0059 0.0075 -0.0008 582 ASP 81 O -0.0049 0.0070 -0.0006 583 ASP 81 CB -0.0074 0.0061 0.0002 584 ASP 81 CG -0.0076 0.0054 0.0007 585 ASP 81 OD1 -0.0073 0.0057 0.0004 586 ASP 81 OD2 -0.0079 0.0044 0.0013 587 ASP 81 H -0.0060 0.0077 -0.0009 588 ASP 81 HA -0.0080 0.0078 -0.0007 589 ASP 81 HB3 -0.0066 0.0056 0.0004 590 ASP 81 HB2 -0.0082 0.0060 0.0004 591 PRO 82 N -0.0060 0.0083 -0.0013 592 PRO 82 CA -0.0048 0.0086 -0.0016 593 PRO 82 C -0.0043 0.0077 -0.0012 594 PRO 82 O -0.0031 0.0077 -0.0013 595 PRO 82 CB -0.0052 0.0097 -0.0022 596 PRO 82 CG -0.0067 0.0097 -0.0020 597 PRO 82 CD -0.0071 0.0091 -0.0016 598 PRO 82 HA -0.0040 0.0088 -0.0018 599 PRO 82 HB3 -0.0050 0.0104 -0.0027 600 PRO 82 HB2 -0.0048 0.0098 -0.0024 601 PRO 82 HG3 -0.0072 0.0105 -0.0024 602 PRO 82 HG2 -0.0069 0.0092 -0.0017 603 PRO 82 HD2 -0.0079 0.0086 -0.0012 604 PRO 82 HD3 -0.0073 0.0097 -0.0019 605 GLU 83 N -0.0019 0.0014 0.0011 606 GLU 83 CA -0.0015 0.0020 0.0013 607 GLU 83 C -0.0020 0.0028 0.0016 608 GLU 83 O -0.0018 0.0034 0.0018 609 GLU 83 CB -0.0005 0.0022 0.0014 610 GLU 83 CG 0.0002 0.0014 0.0012 611 GLU 83 CD 0.0002 0.0011 0.0011 612 GLU 83 OE1 0.0005 0.0016 0.0013 613 GLU 83 OE2 0.0000 0.0004 0.0008 614 GLU 83 H -0.0017 0.0015 0.0011 615 GLU 83 HA -0.0015 0.0017 0.0012 616 GLU 83 HB3 -0.0002 0.0027 0.0016 617 GLU 83 HB2 -0.0005 0.0024 0.0015 618 GLU 83 HG3 0.0008 0.0016 0.0013 619 GLU 83 HG2 -0.0001 0.0009 0.0010 620 ARG 84 N -0.0028 0.0029 0.0015 621 ARG 84 CA -0.0034 0.0036 0.0018 622 ARG 84 C -0.0043 0.0034 0.0016 623 ARG 84 O -0.0046 0.0027 0.0014 624 ARG 84 CB -0.0035 0.0039 0.0019 625 ARG 84 CG -0.0040 0.0047 0.0021 626 ARG 84 CD -0.0041 0.0050 0.0022 627 ARG 84 NE -0.0046 0.0044 0.0020 628 ARG 84 CZ -0.0045 0.0042 0.0019 629 ARG 84 NH1 -0.0051 0.0036 0.0017 630 ARG 84 NH2 -0.0039 0.0046 0.0021 631 ARG 84 H -0.0030 0.0024 0.0014 632 ARG 84 HA -0.0031 0.0041 0.0020 633 ARG 84 HB3 -0.0037 0.0034 0.0017 634 ARG 84 HB2 -0.0028 0.0040 0.0020 635 ARG 84 HG3 -0.0038 0.0053 0.0024 636 ARG 84 HG2 -0.0047 0.0046 0.0021 637 ARG 84 HD3 -0.0034 0.0049 0.0022 638 ARG 84 HD2 -0.0043 0.0056 0.0025 639 ARG 84 HH22 -0.0039 0.0044 0.0020 640 ARG 84 HH21 -0.0035 0.0049 0.0023 641 ARG 84 HH12 -0.0050 0.0035 0.0016 642 ARG 84 HH11 -0.0054 0.0032 0.0015 643 ARG 84 HE -0.0051 0.0041 0.0019 644 TYR 85 N -0.0045 0.0045 0.0021 645 TYR 85 CA -0.0042 0.0045 0.0020 646 TYR 85 C -0.0040 0.0043 0.0017 647 TYR 85 O -0.0041 0.0042 0.0014 648 TYR 85 CB -0.0045 0.0044 0.0020 649 TYR 85 CG -0.0042 0.0044 0.0019 650 TYR 85 CD1 -0.0041 0.0042 0.0015 651 TYR 85 CD2 -0.0041 0.0046 0.0021 652 TYR 85 CE1 -0.0038 0.0043 0.0014 653 TYR 85 CE2 -0.0039 0.0046 0.0020 654 TYR 85 CZ -0.0037 0.0044 0.0017 655 TYR 85 OH -0.0035 0.0045 0.0016 656 TYR 85 H -0.0046 0.0043 0.0019 657 TYR 85 HA -0.0041 0.0046 0.0022 658 TYR 85 HB3 -0.0047 0.0042 0.0018 659 TYR 85 HB2 -0.0047 0.0045 0.0022 660 TYR 85 HD1 -0.0042 0.0041 0.0013 661 TYR 85 HD2 -0.0042 0.0047 0.0024 662 TYR 85 HE1 -0.0037 0.0041 0.0012 663 TYR 85 HE2 -0.0038 0.0047 0.0022 664 TYR 85 HH -0.0034 0.0043 0.0014 665 PRO 86 N -0.0036 0.0044 0.0017 666 PRO 86 CA -0.0034 0.0047 0.0019 667 PRO 86 C -0.0034 0.0048 0.0022 668 PRO 86 O -0.0034 0.0048 0.0021 669 PRO 86 CB -0.0030 0.0047 0.0018 670 PRO 86 CG -0.0030 0.0045 0.0014 671 PRO 86 CD -0.0034 0.0043 0.0013 672 PRO 86 HA -0.0035 0.0047 0.0021 673 PRO 86 HB3 -0.0029 0.0047 0.0017 674 PRO 86 HB2 -0.0028 0.0048 0.0019 675 PRO 86 HG3 -0.0027 0.0045 0.0012 676 PRO 86 HG2 -0.0029 0.0046 0.0015 677 PRO 86 HD2 -0.0034 0.0042 0.0012 678 PRO 86 HD3 -0.0034 0.0042 0.0012 679 SER 87 N -0.0035 0.0062 0.0031 680 SER 87 CA -0.0042 0.0066 0.0029 681 SER 87 CA -0.0041 0.0066 0.0029 682 SER 87 C -0.0034 0.0057 0.0028 683 SER 87 O -0.0040 0.0055 0.0022 684 SER 87 CB -0.0045 0.0081 0.0038 685 SER 87 CB -0.0042 0.0080 0.0039 686 SER 87 OG -0.0053 0.0086 0.0035 687 SER 87 OG -0.0029 0.0080 0.0050 688 SER 87 H -0.0033 0.0068 0.0038 689 SER 87 HA -0.0051 0.0065 0.0020 690 SER 87 HA -0.0051 0.0066 0.0021 691 SER 87 HB3 -0.0037 0.0083 0.0046 692 SER 87 HB3 -0.0048 0.0087 0.0040 693 SER 87 HB2 -0.0051 0.0087 0.0037 694 SER 87 HB2 -0.0047 0.0083 0.0038 695 SER 87 HG -0.0060 0.0083 0.0027 696 SER 87 HG -0.0030 0.0089 0.0056 697 VAL 88 N -0.0021 0.0052 0.0035 698 VAL 88 CA -0.0012 0.0043 0.0035 699 VAL 88 C -0.0007 0.0030 0.0029 700 VAL 88 O -0.0002 0.0028 0.0032 701 VAL 88 CB -0.0001 0.0048 0.0048 702 VAL 88 CG1 0.0009 0.0038 0.0049 703 VAL 88 CG2 -0.0007 0.0062 0.0054 704 VAL 88 H -0.0017 0.0053 0.0039 705 VAL 88 HA -0.0018 0.0043 0.0031 706 VAL 88 HB 0.0004 0.0048 0.0053 707 VAL 88 HG11 0.0016 0.0042 0.0058 708 VAL 88 HG12 0.0014 0.0029 0.0046 709 VAL 88 HG13 0.0004 0.0036 0.0043 710 VAL 88 HG21 0.0001 0.0065 0.0063 711 VAL 88 HG22 -0.0013 0.0062 0.0050 712 VAL 88 HG23 -0.0014 0.0069 0.0055 713 ILE 89 N 0.0002 0.0001 0.0016 714 ILE 89 CA 0.0009 -0.0010 0.0009 715 ILE 89 C 0.0019 -0.0019 0.0011 716 ILE 89 O 0.0018 -0.0018 0.0012 717 ILE 89 CB 0.0002 -0.0013 -0.0007 718 ILE 89 CG1 -0.0008 -0.0004 -0.0008 719 ILE 89 CG2 0.0009 -0.0025 -0.0016 720 ILE 89 CD1 -0.0016 -0.0005 -0.0023 721 ILE 89 H 0.0001 0.0001 0.0014 722 ILE 89 HA 0.0012 -0.0010 0.0014 723 ILE 89 HB -0.0002 -0.0011 -0.0011 724 ILE 89 HG13 -0.0013 0.0005 -0.0003 725 ILE 89 HG12 -0.0004 -0.0005 -0.0004 726 ILE 89 HG21 0.0003 -0.0026 -0.0026 727 ILE 89 HG22 0.0015 -0.0032 -0.0016 728 ILE 89 HG23 0.0013 -0.0027 -0.0012 729 ILE 89 HD11 -0.0024 0.0003 -0.0024 730 ILE 89 HD12 -0.0018 -0.0007 -0.0030 731 ILE 89 HD13 -0.0013 -0.0011 -0.0028 732 TRP 90 N 0.0029 -0.0029 0.0012 733 TRP 90 CA 0.0039 -0.0039 0.0012 734 TRP 90 C 0.0041 -0.0049 -0.0001 735 TRP 90 O 0.0042 -0.0052 -0.0005 736 TRP 90 CB 0.0049 -0.0041 0.0025 737 TRP 90 CG 0.0049 -0.0033 0.0039 738 TRP 90 CD1 0.0044 -0.0023 0.0047 739 TRP 90 CD2 0.0053 -0.0032 0.0047 740 TRP 90 NE1 0.0045 -0.0017 0.0059 741 TRP 90 CE2 0.0051 -0.0022 0.0059 742 TRP 90 CE3 0.0059 -0.0039 0.0044 743 TRP 90 CZ2 0.0054 -0.0020 0.0069 744 TRP 90 CZ3 0.0062 -0.0037 0.0054 745 TRP 90 CH2 0.0060 -0.0027 0.0067 746 TRP 90 H 0.0029 -0.0030 0.0009 747 TRP 90 HA 0.0038 -0.0037 0.0014 748 TRP 90 HB3 0.0057 -0.0050 0.0025 749 TRP 90 HB2 0.0050 -0.0042 0.0025 750 TRP 90 HD1 0.0040 -0.0021 0.0044 751 TRP 90 HE1 0.0043 -0.0010 0.0066 752 TRP 90 HE3 0.0060 -0.0047 0.0035 753 TRP 90 HZ2 0.0053 -0.0012 0.0079 754 TRP 90 HZ3 0.0067 -0.0043 0.0052 755 TRP 90 HH2 0.0063 -0.0025 0.0074 756 GLU 91 N 0.0035 -0.0065 -0.0029 757 GLU 91 CA 0.0039 -0.0063 -0.0035 758 GLU 91 C 0.0048 -0.0062 -0.0035 759 GLU 91 O 0.0052 -0.0062 -0.0028 760 GLU 91 CB 0.0038 -0.0064 -0.0033 761 GLU 91 CG 0.0029 -0.0065 -0.0033 762 GLU 91 CD 0.0027 -0.0066 -0.0031 763 GLU 91 OE1 0.0032 -0.0066 -0.0026 764 GLU 91 OE2 0.0021 -0.0066 -0.0035 765 GLU 91 H 0.0036 -0.0066 -0.0023 766 GLU 91 HA 0.0037 -0.0062 -0.0041 767 GLU 91 HB3 0.0042 -0.0062 -0.0037 768 GLU 91 HB2 0.0041 -0.0065 -0.0027 769 GLU 91 HG3 0.0025 -0.0067 -0.0029 770 GLU 91 HG2 0.0027 -0.0064 -0.0039 771 ALA 92 N 0.0051 -0.0060 -0.0042 772 ALA 92 CA 0.0060 -0.0058 -0.0043 773 ALA 92 C 0.0066 -0.0057 -0.0043 774 ALA 92 O 0.0064 -0.0056 -0.0047 775 ALA 92 CB 0.0061 -0.0056 -0.0051 776 ALA 92 H 0.0048 -0.0059 -0.0047 777 ALA 92 HA 0.0062 -0.0059 -0.0038 778 ALA 92 HB1 0.0067 -0.0055 -0.0052 779 ALA 92 HB2 0.0057 -0.0057 -0.0051 780 ALA 92 HB3 0.0059 -0.0056 -0.0056 781 LYS 93 N 0.0066 -0.0043 -0.0026 782 LYS 93 CA 0.0095 -0.0041 -0.0032 783 LYS 93 C 0.0052 -0.0047 -0.0024 784 LYS 93 O 0.0016 -0.0083 -0.0029 785 LYS 93 CB 0.0133 -0.0086 -0.0058 786 LYS 93 CG 0.0172 -0.0085 -0.0066 787 LYS 93 CD 0.0207 -0.0132 -0.0092 788 LYS 93 CE 0.0248 -0.0128 -0.0100 789 LYS 93 NZ 0.0278 -0.0176 -0.0125 790 LYS 93 H 0.0036 -0.0073 -0.0030 791 LYS 93 HA 0.0119 -0.0004 -0.0023 792 LYS 93 HB3 0.0109 -0.0124 -0.0066 793 LYS 93 HB2 0.0158 -0.0085 -0.0063 794 LYS 93 HG3 0.0198 -0.0048 -0.0058 795 LYS 93 HG2 0.0148 -0.0084 -0.0060 796 LYS 93 HD3 0.0179 -0.0168 -0.0099 797 LYS 93 HD2 0.0228 -0.0134 -0.0098 798 LYS 93 HE3 0.0277 -0.0094 -0.0094 799 LYS 93 HE2 0.0227 -0.0123 -0.0093 800 LYS 93 HZ1 0.0252 -0.0208 -0.0131 801 LYS 93 HZ2 0.0306 -0.0172 -0.0130 802 LYS 93 HZ3 0.0298 -0.0181 -0.0132 803 CYS 94 N 0.0057 -0.0011 -0.0012 804 CYS 94 CA 0.0020 -0.0012 -0.0003 805 CYS 94 C 0.0029 -0.0060 -0.0023 806 CYS 94 O 0.0075 -0.0074 -0.0040 807 CYS 94 CB 0.0029 0.0040 0.0014 808 CYS 94 SG 0.0040 0.0100 0.0034 809 CYS 94 H 0.0086 0.0018 -0.0008 810 CYS 94 HA -0.0022 -0.0016 0.0005 811 CYS 94 HB3 -0.0007 0.0044 0.0024 812 CYS 94 HB2 0.0063 0.0039 0.0006 813 ARG 95 N 0.0008 0.0008 -0.0032 814 ARG 95 CA -0.0002 0.0026 -0.0034 815 ARG 95 C -0.0014 0.0040 -0.0014 816 ARG 95 O -0.0021 0.0051 -0.0010 817 ARG 95 CB -0.0005 0.0040 -0.0056 818 ARG 95 CG 0.0006 0.0029 -0.0078 819 ARG 95 CD 0.0002 0.0043 -0.0100 820 ARG 95 NE 0.0013 0.0031 -0.0120 821 ARG 95 CZ 0.0014 0.0036 -0.0141 822 ARG 95 NH1 0.0005 0.0054 -0.0149 823 ARG 95 NH2 0.0026 0.0021 -0.0155 824 ARG 95 H 0.0010 0.0009 -0.0042 825 ARG 95 HA 0.0001 0.0021 -0.0034 826 ARG 95 HB3 -0.0013 0.0053 -0.0057 827 ARG 95 HB2 -0.0008 0.0045 -0.0056 828 ARG 95 HG3 0.0014 0.0015 -0.0078 829 ARG 95 HG2 0.0008 0.0025 -0.0077 830 ARG 95 HD3 -0.0004 0.0053 -0.0103 831 ARG 95 HD2 -0.0004 0.0053 -0.0099 832 ARG 95 HH22 0.0027 0.0025 -0.0173 833 ARG 95 HH21 0.0033 0.0007 -0.0149 834 ARG 95 HH12 0.0007 0.0057 -0.0166 835 ARG 95 HH11 -0.0003 0.0065 -0.0138 836 ARG 95 HE 0.0020 0.0018 -0.0117 837 HIS 96 N -0.0016 0.0040 -0.0003 838 HIS 96 CA -0.0027 0.0053 0.0014 839 HIS 96 C -0.0024 0.0041 0.0035 840 HIS 96 O -0.0014 0.0024 0.0033 841 HIS 96 CB -0.0034 0.0069 0.0003 842 HIS 96 CG -0.0036 0.0080 -0.0019 843 HIS 96 ND1 -0.0045 0.0095 -0.0020 844 HIS 96 CD2 -0.0031 0.0079 -0.0041 845 HIS 96 CE1 -0.0044 0.0102 -0.0042 846 HIS 96 NE2 -0.0036 0.0092 -0.0056 847 HIS 96 H -0.0009 0.0029 -0.0006 848 HIS 96 HA -0.0033 0.0061 0.0019 849 HIS 96 HB3 -0.0043 0.0080 0.0015 850 HIS 96 HB2 -0.0029 0.0061 -0.0000 851 HIS 96 HD1 -0.0051 0.0100 -0.0007 852 HIS 96 HD2 -0.0024 0.0070 -0.0048 853 HIS 96 HE1 -0.0050 0.0113 -0.0048 854 LEU 97 N -0.0048 0.0056 0.0059 855 LEU 97 CA -0.0061 0.0029 0.0059 856 LEU 97 C -0.0041 0.0020 0.0038 857 LEU 97 O -0.0041 -0.0008 0.0027 858 LEU 97 CB -0.0082 0.0038 0.0080 859 LEU 97 CG -0.0104 0.0047 0.0102 860 LEU 97 CD1 -0.0122 0.0059 0.0122 861 LEU 97 CD2 -0.0119 0.0020 0.0104 862 LEU 97 H -0.0048 0.0077 0.0067 863 LEU 97 HA -0.0069 0.0010 0.0058 864 LEU 97 HB3 -0.0091 0.0018 0.0080 865 LEU 97 HB2 -0.0074 0.0057 0.0081 866 LEU 97 HG -0.0095 0.0066 0.0103 867 LEU 97 HD11 -0.0138 0.0065 0.0138 868 LEU 97 HD12 -0.0112 0.0081 0.0122 869 LEU 97 HD13 -0.0130 0.0042 0.0122 870 LEU 97 HD21 -0.0140 0.0016 0.0120 871 LEU 97 HD22 -0.0114 -0.0002 0.0092 872 LEU 97 HD23 -0.0115 0.0025 0.0103 873 GLY 98 N -0.0024 0.0043 0.0033 874 GLY 98 CA -0.0003 0.0038 0.0014 875 GLY 98 C 0.0021 0.0037 -0.0007 876 GLY 98 O 0.0019 0.0035 -0.0006 877 GLY 98 H -0.0024 0.0065 0.0043 878 GLY 98 HA3 0.0002 0.0058 0.0018 879 GLY 98 HA2 -0.0009 0.0017 0.0011 880 CYS 99 N 0.0003 0.0014 0.0006 881 CYS 99 CA 0.0011 0.0015 0.0006 882 CYS 99 C 0.0005 0.0017 0.0003 883 CYS 99 O -0.0004 0.0015 0.0003 884 CYS 99 CB 0.0015 0.0009 0.0016 885 CYS 99 SG 0.0022 0.0006 0.0021 886 CYS 99 H -0.0003 0.0011 0.0009 887 CYS 99 HA 0.0018 0.0019 0.0002 888 CYS 99 HB3 0.0021 0.0010 0.0016 889 CYS 99 HB2 0.0009 0.0006 0.0020 890 ILE 100 N 0.0011 0.0020 -0.0001 891 ILE 100 CA 0.0007 0.0022 -0.0004 892 ILE 100 C 0.0006 0.0016 0.0004 893 ILE 100 O 0.0014 0.0013 0.0009 894 ILE 100 CB 0.0015 0.0027 -0.0010 895 ILE 100 CG1 0.0017 0.0033 -0.0018 896 ILE 100 CG2 0.0011 0.0029 -0.0014 897 ILE 100 CD1 0.0007 0.0035 -0.0023 898 ILE 100 H 0.0019 0.0021 -0.0001 899 ILE 100 HA -0.0000 0.0023 -0.0007 900 ILE 100 HB 0.0022 0.0026 -0.0007 901 ILE 100 HG13 0.0022 0.0037 -0.0023 902 ILE 100 HG12 0.0022 0.0032 -0.0015 903 ILE 100 HG21 0.0016 0.0033 -0.0019 904 ILE 100 HG22 0.0011 0.0026 -0.0009 905 ILE 100 HG23 0.0003 0.0030 -0.0017 906 ILE 100 HD11 0.0009 0.0040 -0.0030 907 ILE 100 HD12 0.0001 0.0034 -0.0024 908 ILE 100 HD13 0.0004 0.0032 -0.0020 909 ASN 101 N 0.0026 -0.0016 0.0025 910 ASN 101 CA 0.0034 -0.0057 0.0048 911 ASN 101 C 0.0073 -0.0039 0.0046 912 ASN 101 O 0.0091 0.0006 0.0027 913 ASN 101 CB -0.0024 -0.0083 0.0050 914 ASN 101 CG -0.0053 -0.0061 0.0033 915 ASN 101 OD1 -0.0043 -0.0017 0.0012 916 ASN 101 ND2 -0.0088 -0.0092 0.0042 917 ASN 101 H -0.0006 0.0006 0.0008 918 ASN 101 HA 0.0057 -0.0085 0.0067 919 ASN 101 HB3 -0.0053 -0.0085 0.0046 920 ASN 101 HB2 -0.0018 -0.0122 0.0072 921 ASN 101 HD22 -0.0103 -0.0080 0.0033 922 ASN 101 HD21 -0.0097 -0.0129 0.0060 923 ALA 102 N 0.0083 -0.0073 0.0066 924 ALA 102 CA 0.0118 -0.0062 0.0067 925 ALA 102 C 0.0097 -0.0023 0.0043 926 ALA 102 O 0.0131 0.0004 0.0035 927 ALA 102 CB 0.0125 -0.0112 0.0094 928 ALA 102 H 0.0065 -0.0109 0.0081 929 ALA 102 HA 0.0160 -0.0047 0.0068 930 ALA 102 HB1 0.0152 -0.0105 0.0096 931 ALA 102 HB2 0.0144 -0.0139 0.0112 932 ALA 102 HB3 0.0085 -0.0129 0.0095 933 ASP 103 N 0.0010 -0.0021 0.0022 934 ASP 103 CA -0.0032 0.0030 -0.0013 935 ASP 103 C -0.0018 0.0077 -0.0053 936 ASP 103 O -0.0047 0.0124 -0.0086 937 ASP 103 CB -0.0112 0.0025 0.0003 938 ASP 103 CG -0.0136 -0.0027 0.0048 939 ASP 103 OD1 -0.0106 -0.0045 0.0058 940 ASP 103 OD2 -0.0188 -0.0046 0.0071 941 ASP 103 H -0.0017 -0.0050 0.0048 942 ASP 103 HA -0.0018 0.0043 -0.0026 943 ASP 103 HB3 -0.0139 0.0060 -0.0021 944 ASP 103 HB2 -0.0132 0.0027 0.0004 945 GLY 104 N 0.0023 0.0064 -0.0048 946 GLY 104 CA 0.0039 0.0102 -0.0081 947 GLY 104 C -0.0021 0.0110 -0.0079 948 GLY 104 O -0.0020 0.0147 -0.0108 949 GLY 104 H 0.0044 0.0024 -0.0020 950 GLY 104 HA3 0.0049 0.0141 -0.0115 951 GLY 104 HA2 0.0086 0.0085 -0.0075 952 ASN 105 N -0.0047 0.0048 -0.0054 953 ASN 105 CA -0.0057 0.0048 -0.0047 954 ASN 105 C -0.0034 0.0037 -0.0025 955 ASN 105 O -0.0017 0.0029 -0.0010 956 ASN 105 CB -0.0091 0.0052 -0.0032 957 ASN 105 CG -0.0117 0.0065 -0.0055 958 ASN 105 OD1 -0.0141 0.0070 -0.0053 959 ASN 105 ND2 -0.0114 0.0070 -0.0077 960 ASN 105 H -0.0051 0.0044 -0.0036 961 ASN 105 HA -0.0057 0.0055 -0.0069 962 ASN 105 HB3 -0.0096 0.0050 -0.0020 963 ASN 105 HB2 -0.0094 0.0047 -0.0013 964 ASN 105 HD22 -0.0132 0.0078 -0.0091 965 ASN 105 HD21 -0.0095 0.0066 -0.0078 966 VAL 106 N -0.0033 0.0036 -0.0024 967 VAL 106 CA -0.0013 0.0025 -0.0002 968 VAL 106 C -0.0030 0.0020 0.0031 969 VAL 106 O -0.0055 0.0025 0.0034 970 VAL 106 CB -0.0004 0.0027 -0.0013 971 VAL 106 CG1 0.0017 0.0015 0.0010 972 VAL 106 CG2 0.0013 0.0032 -0.0046 973 VAL 106 H -0.0049 0.0043 -0.0034 974 VAL 106 HA 0.0010 0.0020 -0.0000 975 VAL 106 HB -0.0026 0.0032 -0.0015 976 VAL 106 HG11 0.0024 0.0016 0.0000 977 VAL 106 HG12 0.0004 0.0012 0.0032 978 VAL 106 HG13 0.0038 0.0009 0.0014 979 VAL 106 HG21 0.0017 0.0033 -0.0055 980 VAL 106 HG22 0.0036 0.0027 -0.0047 981 VAL 106 HG23 -0.0001 0.0040 -0.0064 982 ASP 107 N 0.0039 -0.0028 0.0040 983 ASP 107 CA 0.0044 -0.0025 0.0017 984 ASP 107 C 0.0038 -0.0008 -0.0003 985 ASP 107 O 0.0024 0.0010 0.0003 986 ASP 107 CB 0.0037 -0.0017 0.0021 987 ASP 107 CG 0.0040 -0.0011 -0.0003 988 ASP 107 OD1 0.0052 -0.0020 -0.0022 989 ASP 107 OD2 0.0031 0.0001 -0.0001 990 ASP 107 H 0.0027 -0.0017 0.0052 991 ASP 107 HA 0.0057 -0.0041 0.0010 992 ASP 107 HB3 0.0024 -0.0003 0.0032 993 ASP 107 HB2 0.0042 -0.0030 0.0034 994 TYR 108 N 0.0049 -0.0015 -0.0025 995 TYR 108 CA 0.0046 -0.0001 -0.0046 996 TYR 108 C 0.0043 0.0012 -0.0066 997 TYR 108 O 0.0038 0.0026 -0.0082 998 TYR 108 CB 0.0060 -0.0016 -0.0058 999 TYR 108 CG 0.0076 -0.0034 -0.0071 1000 TYR 108 CD1 0.0087 -0.0056 -0.0057 1001 TYR 108 CD2 0.0081 -0.0030 -0.0096 1002 TYR 108 CE1 0.0102 -0.0072 -0.0068 1003 TYR 108 CE2 0.0095 -0.0046 -0.0107 1004 TYR 108 CZ 0.0106 -0.0067 -0.0093 1005 TYR 108 OH 0.0120 -0.0083 -0.0103 1006 TYR 108 H 0.0060 -0.0029 -0.0028 1007 TYR 108 HA 0.0036 0.0011 -0.0038 1008 TYR 108 HB3 0.0061 -0.0024 -0.0044 1009 TYR 108 HB2 0.0058 -0.0006 -0.0073 1010 TYR 108 HD1 0.0084 -0.0060 -0.0037 1011 TYR 108 HD2 0.0073 -0.0013 -0.0107 1012 TYR 108 HE1 0.0110 -0.0088 -0.0057 1013 TYR 108 HE2 0.0098 -0.0042 -0.0126 1014 TYR 108 HH 0.0118 -0.0076 -0.0114 1015 HIS 109 N 0.0082 -0.0033 -0.0047 1016 HIS 109 CA 0.0076 -0.0035 -0.0067 1017 HIS 109 C 0.0064 -0.0011 -0.0059 1018 HIS 109 O 0.0053 -0.0003 -0.0080 1019 HIS 109 CB 0.0094 -0.0062 -0.0067 1020 HIS 109 CG 0.0107 -0.0088 -0.0075 1021 HIS 109 ND1 0.0122 -0.0100 -0.0052 1022 HIS 109 CD2 0.0108 -0.0104 -0.0102 1023 HIS 109 CE1 0.0131 -0.0122 -0.0066 1024 HIS 109 NE2 0.0124 -0.0125 -0.0097 1025 HIS 109 H 0.0094 -0.0044 -0.0029 1026 HIS 109 HA 0.0069 -0.0035 -0.0091 1027 HIS 109 HB3 0.0090 -0.0064 -0.0083 1028 HIS 109 HB2 0.0101 -0.0062 -0.0044 1029 HIS 109 HD1 0.0125 -0.0092 -0.0029 1030 HIS 109 HD2 0.0099 -0.0101 -0.0125 1031 HIS 109 HE1 0.0144 -0.0135 -0.0054 1032 MET 110 N 0.0065 0.0002 -0.0030 1033 MET 110 CA 0.0053 0.0027 -0.0018 1034 MET 110 C 0.0038 0.0052 -0.0016 1035 MET 110 O 0.0039 0.0048 -0.0020 1036 MET 110 CB 0.0065 0.0024 0.0014 1037 MET 110 CG 0.0080 0.0000 0.0013 1038 MET 110 SD 0.0070 0.0006 -0.0007 1039 MET 110 CE 0.0065 0.0029 0.0023 1040 MET 110 H 0.0075 -0.0006 -0.0014 1041 MET 110 HA 0.0047 0.0029 -0.0033 1042 MET 110 HB3 0.0056 0.0043 0.0024 1043 MET 110 HB2 0.0072 0.0021 0.0030 1044 MET 110 HG3 0.0089 -0.0003 0.0036 1045 MET 110 HG2 0.0088 -0.0019 0.0001 1046 MET 110 HE1 0.0059 0.0034 0.0016 1047 MET 110 HE2 0.0077 0.0020 0.0044 1048 MET 110 HE3 0.0054 0.0048 0.0028 1049 ASN 111 N -0.0018 -0.0004 -0.0008 1050 ASN 111 CA -0.0028 0.0000 -0.0001 1051 ASN 111 C -0.0026 0.0002 0.0000 1052 ASN 111 O -0.0025 -0.0004 -0.0006 1053 ASN 111 CB -0.0040 -0.0006 -0.0005 1054 ASN 111 CG -0.0045 -0.0009 -0.0006 1055 ASN 111 OD1 -0.0054 -0.0015 -0.0009 1056 ASN 111 ND2 -0.0039 -0.0004 -0.0003 1057 ASN 111 H -0.0016 -0.0009 -0.0014 1058 ASN 111 HA -0.0029 0.0006 0.0005 1059 ASN 111 HB3 -0.0047 -0.0003 -0.0000 1060 ASN 111 HB2 -0.0040 -0.0013 -0.0011 1061 ASN 111 HD22 -0.0042 -0.0006 -0.0004 1062 ASN 111 HD21 -0.0031 0.0000 -0.0001 1063 SER 112 N -0.0028 0.0011 0.0008 1064 SER 112 CA -0.0030 0.0013 0.0011 1065 SER 112 C -0.0043 0.0009 0.0011 1066 SER 112 O -0.0051 0.0012 0.0016 1067 SER 112 CB -0.0028 0.0023 0.0021 1068 SER 112 OG -0.0015 0.0027 0.0021 1069 SER 112 H -0.0030 0.0015 0.0013 1070 SER 112 HA -0.0024 0.0010 0.0007 1071 SER 112 HB3 -0.0032 0.0025 0.0023 1072 SER 112 HB2 -0.0032 0.0026 0.0025 1073 SER 112 HG -0.0012 0.0028 0.0021 1074 VAL 113 N -0.0065 0.0005 -0.0008 1075 VAL 113 CA -0.0056 0.0001 -0.0005 1076 VAL 113 C -0.0045 -0.0000 -0.0012 1077 VAL 113 O -0.0044 -0.0000 -0.0014 1078 VAL 113 CB -0.0054 -0.0002 0.0007 1079 VAL 113 CG1 -0.0063 -0.0001 0.0014 1080 VAL 113 CG2 -0.0052 -0.0003 0.0011 1081 VAL 113 H -0.0064 0.0005 -0.0008 1082 VAL 113 HA -0.0057 0.0002 -0.0007 1083 VAL 113 HB -0.0047 -0.0005 0.0009 1084 VAL 113 HG11 -0.0061 -0.0003 0.0023 1085 VAL 113 HG12 -0.0063 -0.0000 0.0012 1086 VAL 113 HG13 -0.0070 0.0002 0.0013 1087 VAL 113 HG21 -0.0051 -0.0006 0.0020 1088 VAL 113 HG22 -0.0059 -0.0001 0.0010 1089 VAL 113 HG23 -0.0045 -0.0005 0.0007 1090 PRO 114 N -0.0038 -0.0002 -0.0015 1091 PRO 114 CA -0.0028 -0.0004 -0.0021 1092 PRO 114 C -0.0020 -0.0008 -0.0014 1093 PRO 114 O -0.0019 -0.0011 -0.0005 1094 PRO 114 CB -0.0024 -0.0004 -0.0026 1095 PRO 114 CG -0.0029 -0.0004 -0.0018 1096 PRO 114 CD -0.0040 -0.0002 -0.0014 1097 PRO 114 HA -0.0029 -0.0002 -0.0028 1098 PRO 114 HB3 -0.0028 -0.0001 -0.0034 1099 PRO 114 HB2 -0.0016 -0.0007 -0.0028 1100 PRO 114 HG3 -0.0030 -0.0003 -0.0022 1101 PRO 114 HG2 -0.0024 -0.0008 -0.0012 1102 PRO 114 HD2 -0.0042 -0.0003 -0.0006 1103 PRO 114 HD3 -0.0046 0.0001 -0.0019 1104 ILE 115 N 0.0002 -0.0012 -0.0016 1105 ILE 115 CA 0.0004 -0.0017 -0.0017 1106 ILE 115 C 0.0004 -0.0020 -0.0016 1107 ILE 115 O 0.0005 -0.0019 -0.0019 1108 ILE 115 CB 0.0006 -0.0016 -0.0021 1109 ILE 115 CG1 0.0006 -0.0013 -0.0022 1110 ILE 115 CG2 0.0008 -0.0021 -0.0023 1111 ILE 115 CD1 0.0007 -0.0012 -0.0026 1112 ILE 115 H 0.0003 -0.0010 -0.0018 1113 ILE 115 HA 0.0003 -0.0018 -0.0015 1114 ILE 115 HB 0.0007 -0.0015 -0.0023 1115 ILE 115 HG13 0.0004 -0.0010 -0.0020 1116 ILE 115 HG12 0.0005 -0.0015 -0.0020 1117 ILE 115 HG21 0.0009 -0.0021 -0.0026 1118 ILE 115 HG22 0.0008 -0.0023 -0.0023 1119 ILE 115 HG23 0.0007 -0.0023 -0.0021 1120 ILE 115 HD11 0.0008 -0.0012 -0.0027 1121 ILE 115 HD12 0.0007 -0.0008 -0.0027 1122 ILE 115 HD13 0.0009 -0.0014 -0.0028 1123 GLN 116 N 0.0003 -0.0023 -0.0013 1124 GLN 116 CA 0.0004 -0.0026 -0.0012 1125 GLN 116 C 0.0006 -0.0031 -0.0014 1126 GLN 116 O 0.0006 -0.0032 -0.0013 1127 GLN 116 CB 0.0002 -0.0027 -0.0007 1128 GLN 116 CG -0.0000 -0.0023 -0.0005 1129 GLN 116 CD -0.0002 -0.0024 -0.0002 1130 GLN 116 OE1 -0.0003 -0.0026 0.0001 1131 GLN 116 NE2 -0.0002 -0.0022 -0.0002 1132 GLN 116 H 0.0003 -0.0023 -0.0011 1133 GLN 116 HA 0.0004 -0.0025 -0.0013 1134 GLN 116 HB3 0.0002 -0.0029 -0.0007 1135 GLN 116 HB2 0.0001 -0.0028 -0.0006 1136 GLN 116 HG3 -0.0001 -0.0021 -0.0005 1137 GLN 116 HG2 0.0000 -0.0020 -0.0008 1138 GLN 116 HE22 -0.0003 -0.0023 0.0001 1139 GLN 116 HE21 -0.0001 -0.0020 -0.0004 1140 GLN 117 N -0.0003 -0.0066 0.0007 1141 GLN 117 CA 0.0008 -0.0082 0.0003 1142 GLN 117 C -0.0007 -0.0084 0.0007 1143 GLN 117 O -0.0015 -0.0066 0.0010 1144 GLN 117 CB 0.0031 -0.0071 -0.0003 1145 GLN 117 CG 0.0046 -0.0084 -0.0007 1146 GLN 117 CD 0.0048 -0.0110 -0.0009 1147 GLN 117 OE1 0.0056 -0.0117 -0.0011 1148 GLN 117 NE2 0.0041 -0.0124 -0.0008 1149 GLN 117 H -0.0006 -0.0050 0.0008 1150 GLN 117 HA 0.0009 -0.0099 0.0002 1151 GLN 117 HB3 0.0029 -0.0053 -0.0002 1152 GLN 117 HB2 0.0040 -0.0071 -0.0005 1153 GLN 117 HG3 0.0039 -0.0081 -0.0006 1154 GLN 117 HG2 0.0062 -0.0076 -0.0012 1155 GLN 117 HE22 0.0043 -0.0141 -0.0009 1156 GLN 117 HE21 0.0034 -0.0118 -0.0005 1157 GLU 118 N -0.0010 -0.0105 0.0007 1158 GLU 118 CA -0.0019 -0.0108 0.0010 1159 GLU 118 C -0.0002 -0.0099 0.0005 1160 GLU 118 O 0.0017 -0.0106 -0.0000 1161 GLU 118 CB -0.0023 -0.0134 0.0010 1162 GLU 118 CG -0.0042 -0.0147 0.0015 1163 GLU 118 CD -0.0049 -0.0170 0.0016 1164 GLU 118 OE1 -0.0037 -0.0179 0.0012 1165 GLU 118 OE2 -0.0069 -0.0176 0.0021 1166 GLU 118 H -0.0002 -0.0118 0.0005 1167 GLU 118 HA -0.0035 -0.0099 0.0015 1168 GLU 118 HB3 -0.0026 -0.0136 0.0011 1169 GLU 118 HB2 -0.0007 -0.0144 0.0005 1170 GLU 118 HG3 -0.0037 -0.0150 0.0013 1171 GLU 118 HG2 -0.0057 -0.0136 0.0019 1172 ILE 119 N -0.0023 -0.0079 0.0031 1173 ILE 119 CA -0.0018 -0.0068 0.0037 1174 ILE 119 C -0.0023 -0.0057 0.0033 1175 ILE 119 O -0.0030 -0.0055 0.0024 1176 ILE 119 CB -0.0017 -0.0067 0.0039 1177 ILE 119 CG1 -0.0011 -0.0076 0.0046 1178 ILE 119 CG2 -0.0015 -0.0054 0.0042 1179 ILE 119 CD1 -0.0003 -0.0075 0.0056 1180 ILE 119 H -0.0028 -0.0078 0.0024 1181 ILE 119 HA -0.0013 -0.0069 0.0044 1182 ILE 119 HB -0.0022 -0.0069 0.0032 1183 ILE 119 HG13 -0.0011 -0.0076 0.0046 1184 ILE 119 HG12 -0.0013 -0.0085 0.0043 1185 ILE 119 HG21 -0.0014 -0.0054 0.0044 1186 ILE 119 HG22 -0.0020 -0.0047 0.0036 1187 ILE 119 HG23 -0.0011 -0.0051 0.0048 1188 ILE 119 HD11 0.0001 -0.0083 0.0061 1189 ILE 119 HD12 -0.0001 -0.0067 0.0060 1190 ILE 119 HD13 -0.0003 -0.0074 0.0057 1191 LEU 120 N -0.0018 -0.0049 0.0039 1192 LEU 120 CA -0.0022 -0.0037 0.0036 1193 LEU 120 C -0.0021 -0.0028 0.0038 1194 LEU 120 O -0.0015 -0.0029 0.0045 1195 LEU 120 CB -0.0018 -0.0033 0.0041 1196 LEU 120 CG -0.0019 -0.0041 0.0038 1197 LEU 120 CD1 -0.0014 -0.0037 0.0045 1198 LEU 120 CD2 -0.0028 -0.0040 0.0028 1199 LEU 120 H -0.0013 -0.0050 0.0046 1200 LEU 120 HA -0.0028 -0.0037 0.0028 1201 LEU 120 HB3 -0.0019 -0.0023 0.0040 1202 LEU 120 HB2 -0.0011 -0.0033 0.0049 1203 LEU 120 HG -0.0018 -0.0050 0.0040 1204 LEU 120 HD11 -0.0011 -0.0045 0.0048 1205 LEU 120 HD12 -0.0010 -0.0031 0.0051 1206 LEU 120 HD13 -0.0017 -0.0033 0.0041 1207 LEU 120 HD21 -0.0029 -0.0039 0.0027 1208 LEU 120 HD22 -0.0031 -0.0032 0.0024 1209 LEU 120 HD23 -0.0030 -0.0048 0.0024 1210 VAL 121 N -0.0031 0.0007 0.0026 1211 VAL 121 CA -0.0031 0.0011 0.0028 1212 VAL 121 C -0.0033 0.0020 0.0025 1213 VAL 121 O -0.0034 0.0022 0.0020 1214 VAL 121 CB -0.0031 0.0007 0.0023 1215 VAL 121 CG1 -0.0029 -0.0002 0.0025 1216 VAL 121 CG2 -0.0034 0.0007 0.0014 1217 VAL 121 H -0.0032 0.0009 0.0020 1218 VAL 121 HA -0.0029 0.0011 0.0034 1219 VAL 121 HB -0.0032 0.0010 0.0025 1220 VAL 121 HG11 -0.0030 -0.0005 0.0022 1221 VAL 121 HG12 -0.0028 -0.0002 0.0032 1222 VAL 121 HG13 -0.0029 -0.0006 0.0024 1223 VAL 121 HG21 -0.0034 0.0004 0.0011 1224 VAL 121 HG22 -0.0034 0.0005 0.0011 1225 VAL 121 HG23 -0.0035 0.0014 0.0012 1226 LEU 122 N -0.0033 0.0025 0.0029 1227 LEU 122 CA -0.0035 0.0034 0.0027 1228 LEU 122 C -0.0036 0.0034 0.0021 1229 LEU 122 O -0.0035 0.0031 0.0023 1230 LEU 122 CB -0.0034 0.0039 0.0034 1231 LEU 122 CG -0.0033 0.0039 0.0041 1232 LEU 122 CD1 -0.0032 0.0045 0.0048 1233 LEU 122 CD2 -0.0034 0.0042 0.0038 1234 LEU 122 H -0.0032 0.0023 0.0033 1235 LEU 122 HA -0.0036 0.0036 0.0024 1236 LEU 122 HB3 -0.0035 0.0045 0.0032 1237 LEU 122 HB2 -0.0033 0.0037 0.0037 1238 LEU 122 HG -0.0031 0.0033 0.0043 1239 LEU 122 HD11 -0.0030 0.0043 0.0054 1240 LEU 122 HD12 -0.0032 0.0044 0.0049 1241 LEU 122 HD13 -0.0033 0.0051 0.0047 1242 LEU 122 HD21 -0.0033 0.0043 0.0043 1243 LEU 122 HD22 -0.0035 0.0048 0.0034 1244 LEU 122 HD23 -0.0034 0.0038 0.0034 1245 ARG 123 N -0.0032 0.0064 0.0047 1246 ARG 123 CA -0.0022 0.0057 0.0037 1247 ARG 123 C -0.0014 0.0060 0.0035 1248 ARG 123 O -0.0011 0.0070 0.0040 1249 ARG 123 CB -0.0013 0.0060 0.0035 1250 ARG 123 CG -0.0003 0.0052 0.0024 1251 ARG 123 CD 0.0003 0.0051 0.0021 1252 ARG 123 NE -0.0008 0.0046 0.0023 1253 ARG 123 CZ -0.0015 0.0035 0.0019 1254 ARG 123 NH1 -0.0014 0.0026 0.0012 1255 ARG 123 NH2 -0.0024 0.0033 0.0023 1256 ARG 123 H -0.0028 0.0073 0.0051 1257 ARG 123 HA -0.0027 0.0047 0.0033 1258 ARG 123 HB3 -0.0008 0.0070 0.0038 1259 ARG 123 HB2 -0.0020 0.0058 0.0037 1260 ARG 123 HG3 -0.0007 0.0043 0.0020 1261 ARG 123 HG2 0.0005 0.0057 0.0023 1262 ARG 123 HD3 0.0008 0.0044 0.0013 1263 ARG 123 HD2 0.0009 0.0059 0.0023 1264 ARG 123 HH22 -0.0030 0.0024 0.0020 1265 ARG 123 HH21 -0.0026 0.0040 0.0028 1266 ARG 123 HH12 -0.0020 0.0017 0.0009 1267 ARG 123 HH11 -0.0008 0.0026 0.0010 1268 ARG 123 HE -0.0009 0.0053 0.0028 1269 ARG 124 N -0.0010 0.0050 0.0027 1270 ARG 124 CA -0.0002 0.0051 0.0023 1271 ARG 124 C 0.0011 0.0060 0.0022 1272 ARG 124 O 0.0018 0.0059 0.0018 1273 ARG 124 CB -0.0001 0.0039 0.0014 1274 ARG 124 CG -0.0014 0.0030 0.0015 1275 ARG 124 CD -0.0013 0.0017 0.0006 1276 ARG 124 NE -0.0025 0.0008 0.0006 1277 ARG 124 CZ -0.0035 0.0007 0.0010 1278 ARG 124 NH1 -0.0035 0.0014 0.0015 1279 ARG 124 NH2 -0.0046 -0.0002 0.0010 1280 ARG 124 H -0.0013 0.0042 0.0022 1281 ARG 124 HA -0.0007 0.0055 0.0028 1282 ARG 124 HB3 0.0005 0.0040 0.0012 1283 ARG 124 HB2 0.0004 0.0035 0.0009 1284 ARG 124 HG3 -0.0021 0.0029 0.0018 1285 ARG 124 HG2 -0.0018 0.0034 0.0020 1286 ARG 124 HD3 -0.0009 0.0017 0.0004 1287 ARG 124 HD2 -0.0005 0.0014 0.0000 1288 ARG 124 HH22 -0.0055 -0.0004 0.0013 1289 ARG 124 HH21 -0.0046 -0.0007 0.0007 1290 ARG 124 HH12 -0.0042 0.0014 0.0019 1291 ARG 124 HH11 -0.0026 0.0020 0.0015 1292 ARG 124 HE -0.0026 0.0002 0.0002 1293 GLU 125 N 0.0074 0.0060 0.0003 1294 GLU 125 CA 0.0091 0.0080 -0.0006 1295 GLU 125 C 0.0085 0.0083 -0.0003 1296 GLU 125 O 0.0065 0.0095 0.0008 1297 GLU 125 CB 0.0090 0.0108 -0.0005 1298 GLU 125 CG 0.0105 0.0132 -0.0013 1299 GLU 125 CD 0.0107 0.0158 -0.0014 1300 GLU 125 OE1 0.0121 0.0157 -0.0021 1301 GLU 125 OE2 0.0096 0.0180 -0.0008 1302 GLU 125 H 0.0057 0.0060 0.0012 1303 GLU 125 HA 0.0110 0.0072 -0.0016 1304 GLU 125 HB3 0.0071 0.0114 0.0005 1305 GLU 125 HB2 0.0097 0.0104 -0.0009 1306 GLU 125 HG3 0.0123 0.0125 -0.0022 1307 GLU 125 HG2 0.0096 0.0138 -0.0008 1308 PRO 126 N 0.0100 0.0073 -0.0011 1309 PRO 126 CA 0.0123 0.0056 -0.0023 1310 PRO 126 C 0.0118 0.0027 -0.0020 1311 PRO 126 O 0.0096 0.0018 -0.0009 1312 PRO 126 CB 0.0134 0.0055 -0.0028 1313 PRO 126 CG 0.0112 0.0057 -0.0017 1314 PRO 126 CD 0.0095 0.0077 -0.0008 1315 PRO 126 HA 0.0135 0.0068 -0.0029 1316 PRO 126 HB3 0.0146 0.0073 -0.0035 1317 PRO 126 HB2 0.0145 0.0036 -0.0034 1318 PRO 126 HG3 0.0117 0.0063 -0.0020 1319 PRO 126 HG2 0.0103 0.0036 -0.0012 1320 PRO 126 HD2 0.0076 0.0073 0.0002 1321 PRO 126 HD3 0.0099 0.0098 -0.0010 1322 PRO 127 N 0.0319 0.0009 0.0022 1323 PRO 127 CA 0.0322 -0.0051 0.0030 1324 PRO 127 C 0.0267 -0.0136 0.0033 1325 PRO 127 O 0.0265 -0.0174 0.0038 1326 PRO 127 CB 0.0420 -0.0070 0.0047 1327 PRO 127 CG 0.0468 0.0011 0.0043 1328 PRO 127 CD 0.0409 0.0038 0.0031 1329 PRO 127 HA 0.0298 -0.0014 0.0022 1330 PRO 127 HB3 0.0438 -0.0083 0.0051 1331 PRO 127 HB2 0.0438 -0.0128 0.0057 1332 PRO 127 HG3 0.0468 0.0064 0.0036 1333 PRO 127 HG2 0.0536 -0.0001 0.0054 1334 PRO 127 HD2 0.0428 0.0002 0.0039 1335 PRO 127 HD3 0.0415 0.0108 0.0023 1336 HIS 128 N 0.0221 -0.0163 0.0030 1337 HIS 128 CA 0.0164 -0.0243 0.0032 1338 HIS 128 C 0.0077 -0.0239 0.0019 1339 HIS 128 O 0.0025 -0.0301 0.0020 1340 HIS 128 CB 0.0216 -0.0328 0.0051 1341 HIS 128 CG 0.0307 -0.0334 0.0064 1342 HIS 128 ND1 0.0327 -0.0307 0.0064 1343 HIS 128 CD2 0.0386 -0.0361 0.0079 1344 HIS 128 CE1 0.0413 -0.0318 0.0077 1345 HIS 128 NE2 0.0453 -0.0351 0.0087 1346 HIS 128 H 0.0232 -0.0131 0.0028 1347 HIS 128 HA 0.0145 -0.0246 0.0030 1348 HIS 128 HB3 0.0177 -0.0386 0.0053 1349 HIS 128 HB2 0.0223 -0.0335 0.0053 1350 HIS 128 HD1 0.0285 -0.0277 0.0054 1351 HIS 128 HD2 0.0399 -0.0386 0.0084 1352 HIS 128 HE1 0.0447 -0.0301 0.0080 1353 SER 129 N 0.0030 -0.0015 0.0088 1354 SER 129 CA -0.0012 -0.0008 0.0084 1355 SER 129 C -0.0012 -0.0013 0.0093 1356 SER 129 O 0.0012 -0.0006 0.0075 1357 SER 129 CB -0.0025 0.0015 0.0043 1358 SER 129 OG -0.0066 0.0021 0.0040 1359 SER 129 H 0.0044 -0.0005 0.0066 1360 SER 129 HA -0.0034 -0.0015 0.0102 1361 SER 129 HB3 -0.0003 0.0023 0.0023 1362 SER 129 HB2 -0.0026 0.0018 0.0036 1363 SER 129 HG -0.0076 0.0036 0.0015 1364 PRO 130 N -0.0040 -0.0024 0.0120 1365 PRO 130 CA -0.0046 -0.0027 0.0128 1366 PRO 130 C -0.0059 -0.0008 0.0094 1367 PRO 130 O -0.0047 -0.0008 0.0091 1368 PRO 130 CB -0.0079 -0.0040 0.0161 1369 PRO 130 CG -0.0077 -0.0050 0.0179 1370 PRO 130 CD -0.0066 -0.0034 0.0147 1371 PRO 130 HA -0.0016 -0.0035 0.0137 1372 PRO 130 HB3 -0.0074 -0.0051 0.0180 1373 PRO 130 HB2 -0.0111 -0.0031 0.0150 1374 PRO 130 HG3 -0.0052 -0.0063 0.0199 1375 PRO 130 HG2 -0.0106 -0.0055 0.0195 1376 PRO 130 HD2 -0.0094 -0.0024 0.0133 1377 PRO 130 HD3 -0.0050 -0.0042 0.0157 1378 ASN 131 N -0.0043 -0.0009 0.0043 1379 ASN 131 CA -0.0058 -0.0000 0.0030 1380 ASN 131 C -0.0052 0.0015 0.0027 1381 ASN 131 O -0.0065 0.0021 0.0016 1382 ASN 131 CB -0.0075 -0.0016 0.0027 1383 ASN 131 CG -0.0072 -0.0028 0.0034 1384 ASN 131 OD1 -0.0057 -0.0030 0.0044 1385 ASN 131 ND2 -0.0087 -0.0037 0.0029 1386 ASN 131 H -0.0038 -0.0017 0.0049 1387 ASN 131 HA -0.0062 0.0009 0.0023 1388 ASN 131 HB3 -0.0079 -0.0026 0.0029 1389 ASN 131 HB2 -0.0087 -0.0009 0.0017 1390 ASN 131 HD22 -0.0086 -0.0045 0.0034 1391 ASN 131 HD21 -0.0100 -0.0036 0.0021 1392 SER 132 N -0.0035 0.0021 0.0034 1393 SER 132 CA -0.0028 0.0036 0.0032 1394 SER 132 C -0.0012 0.0050 0.0035 1395 SER 132 O 0.0001 0.0044 0.0046 1396 SER 132 CB -0.0026 0.0026 0.0037 1397 SER 132 OG -0.0011 0.0017 0.0050 1398 SER 132 H -0.0025 0.0016 0.0043 1399 SER 132 HA -0.0039 0.0044 0.0022 1400 SER 132 HB3 -0.0038 0.0016 0.0034 1401 SER 132 HB2 -0.0024 0.0037 0.0034 1402 SER 132 HG -0.0000 0.0027 0.0053 1403 PHE 133 N -0.0001 0.0053 0.0026 1404 PHE 133 CA -0.0001 0.0052 0.0025 1405 PHE 133 C 0.0002 0.0062 0.0028 1406 PHE 133 O 0.0001 0.0069 0.0031 1407 PHE 133 CB -0.0011 0.0049 0.0029 1408 PHE 133 CG -0.0015 0.0039 0.0027 1409 PHE 133 CD1 -0.0020 0.0038 0.0029 1410 PHE 133 CD2 -0.0015 0.0031 0.0024 1411 PHE 133 CE1 -0.0023 0.0029 0.0027 1412 PHE 133 CE2 -0.0018 0.0022 0.0022 1413 PHE 133 CZ -0.0023 0.0022 0.0024 1414 PHE 133 H -0.0005 0.0058 0.0029 1415 PHE 133 HA 0.0003 0.0048 0.0021 1416 PHE 133 HB3 -0.0011 0.0049 0.0029 1417 PHE 133 HB2 -0.0015 0.0054 0.0033 1418 PHE 133 HD1 -0.0020 0.0044 0.0031 1419 PHE 133 HD2 -0.0011 0.0032 0.0022 1420 PHE 133 HE1 -0.0026 0.0029 0.0028 1421 PHE 133 HE2 -0.0018 0.0016 0.0019 1422 PHE 133 HZ -0.0025 0.0015 0.0022 1423 ARG 134 N 0.0004 0.0062 0.0027 1424 ARG 134 CA 0.0004 0.0070 0.0030 1425 ARG 134 C -0.0002 0.0067 0.0032 1426 ARG 134 O -0.0003 0.0058 0.0029 1427 ARG 134 CB 0.0014 0.0073 0.0026 1428 ARG 134 CG 0.0015 0.0082 0.0029 1429 ARG 134 CD 0.0024 0.0084 0.0026 1430 ARG 134 NE 0.0032 0.0087 0.0023 1431 ARG 134 CZ 0.0036 0.0095 0.0024 1432 ARG 134 NH1 0.0034 0.0103 0.0029 1433 ARG 134 NH2 0.0043 0.0096 0.0021 1434 ARG 134 H 0.0004 0.0056 0.0024 1435 ARG 134 HA 0.0002 0.0075 0.0033 1436 ARG 134 HB3 0.0016 0.0067 0.0023 1437 ARG 134 HB2 0.0018 0.0074 0.0025 1438 ARG 134 HG3 0.0015 0.0087 0.0032 1439 ARG 134 HG2 0.0010 0.0082 0.0032 1440 ARG 134 HD3 0.0024 0.0088 0.0028 1441 ARG 134 HD2 0.0025 0.0077 0.0022 1442 ARG 134 HH22 0.0048 0.0101 0.0021 1443 ARG 134 HH21 0.0044 0.0090 0.0018 1444 ARG 134 HH12 0.0037 0.0109 0.0029 1445 ARG 134 HH11 0.0028 0.0102 0.0031 1446 ARG 134 HE 0.0033 0.0081 0.0020 1447 LEU 135 N -0.0020 0.0057 0.0021 1448 LEU 135 CA -0.0025 0.0041 0.0025 1449 LEU 135 C -0.0027 0.0033 0.0010 1450 LEU 135 O -0.0024 0.0040 0.0002 1451 LEU 135 CB -0.0026 0.0042 0.0039 1452 LEU 135 CG -0.0026 0.0046 0.0057 1453 LEU 135 CD1 -0.0026 0.0050 0.0068 1454 LEU 135 CD2 -0.0031 0.0032 0.0064 1455 LEU 135 H -0.0017 0.0066 0.0025 1456 LEU 135 HA -0.0028 0.0034 0.0029 1457 LEU 135 HB3 -0.0029 0.0031 0.0040 1458 LEU 135 HB2 -0.0023 0.0051 0.0036 1459 LEU 135 HG -0.0023 0.0056 0.0056 1460 LEU 135 HD11 -0.0025 0.0056 0.0080 1461 LEU 135 HD12 -0.0023 0.0058 0.0063 1462 LEU 135 HD13 -0.0029 0.0040 0.0072 1463 LEU 135 HD21 -0.0030 0.0037 0.0070 1464 LEU 135 HD22 -0.0034 0.0026 0.0073 1465 LEU 135 HD23 -0.0033 0.0024 0.0054 1466 GLU 136 N -0.0031 0.0017 0.0008 1467 GLU 136 CA -0.0034 0.0006 -0.0002 1468 GLU 136 C -0.0039 -0.0008 0.0008 1469 GLU 136 O -0.0042 -0.0012 0.0019 1470 GLU 136 CB -0.0035 0.0000 -0.0017 1471 GLU 136 CG -0.0029 0.0014 -0.0028 1472 GLU 136 CD -0.0030 0.0009 -0.0046 1473 GLU 136 OE1 -0.0034 -0.0005 -0.0048 1474 GLU 136 OE2 -0.0026 0.0018 -0.0057 1475 GLU 136 H -0.0033 0.0012 0.0015 1476 GLU 136 HA -0.0032 0.0012 -0.0006 1477 GLU 136 HB3 -0.0037 -0.0008 -0.0024 1478 GLU 136 HB2 -0.0037 -0.0006 -0.0013 1479 GLU 136 HG3 -0.0027 0.0021 -0.0023 1480 GLU 136 HG2 -0.0027 0.0022 -0.0030 1481 LYS 137 N -0.0038 -0.0047 -0.0015 1482 LYS 137 CA -0.0040 -0.0074 -0.0005 1483 LYS 137 C -0.0049 -0.0091 -0.0022 1484 LYS 137 O -0.0056 -0.0091 -0.0044 1485 LYS 137 CB -0.0040 -0.0083 -0.0001 1486 LYS 137 CG -0.0041 -0.0110 0.0013 1487 LYS 137 CD -0.0046 -0.0124 0.0006 1488 LYS 137 CE -0.0041 -0.0115 0.0019 1489 LYS 137 NZ -0.0046 -0.0132 0.0013 1490 LYS 137 H -0.0042 -0.0043 -0.0031 1491 LYS 137 HA -0.0034 -0.0075 0.0014 1492 LYS 137 HB3 -0.0046 -0.0082 -0.0019 1493 LYS 137 HB2 -0.0034 -0.0069 0.0010 1494 LYS 137 HG3 -0.0035 -0.0109 0.0033 1495 LYS 137 HG2 -0.0045 -0.0122 0.0008 1496 LYS 137 HD3 -0.0049 -0.0145 0.0011 1497 LYS 137 HD2 -0.0053 -0.0123 -0.0014 1498 LYS 137 HE3 -0.0039 -0.0095 0.0012 1499 LYS 137 HE2 -0.0034 -0.0116 0.0039 1500 LYS 137 HZ1 -0.0052 -0.0132 -0.0005 1501 LYS 137 HZ2 -0.0048 -0.0151 0.0019 1502 LYS 137 HZ3 -0.0042 -0.0129 0.0023 1503 ILE 138 N -0.0049 -0.0106 -0.0013 1504 ILE 138 CA -0.0057 -0.0127 -0.0026 1505 ILE 138 C -0.0057 -0.0153 -0.0011 1506 ILE 138 O -0.0051 -0.0154 0.0011 1507 ILE 138 CB -0.0057 -0.0120 -0.0028 1508 ILE 138 CG1 -0.0048 -0.0116 -0.0003 1509 ILE 138 CG2 -0.0058 -0.0097 -0.0047 1510 ILE 138 CD1 -0.0048 -0.0117 -0.0005 1511 ILE 138 H -0.0043 -0.0106 0.0006 1512 ILE 138 HA -0.0063 -0.0129 -0.0044 1513 ILE 138 HB -0.0062 -0.0136 -0.0037 1514 ILE 138 HG13 -0.0046 -0.0130 0.0012 1515 ILE 138 HG12 -0.0042 -0.0097 0.0004 1516 ILE 138 HG21 -0.0058 -0.0093 -0.0051 1517 ILE 138 HG22 -0.0064 -0.0100 -0.0065 1518 ILE 138 HG23 -0.0052 -0.0079 -0.0040 1519 ILE 138 HD11 -0.0043 -0.0119 0.0014 1520 ILE 138 HD12 -0.0055 -0.0134 -0.0015 1521 ILE 138 HD13 -0.0048 -0.0100 -0.0014 1522 LEU 139 N -0.0089 -0.0127 -0.0023 1523 LEU 139 CA -0.0072 -0.0133 -0.0024 1524 LEU 139 C -0.0059 -0.0104 -0.0021 1525 LEU 139 O -0.0076 -0.0082 -0.0019 1526 LEU 139 CB -0.0092 -0.0147 -0.0026 1527 LEU 139 CG -0.0100 -0.0179 -0.0029 1528 LEU 139 CD1 -0.0125 -0.0189 -0.0030 1529 LEU 139 CD2 -0.0073 -0.0199 -0.0032 1530 LEU 139 H -0.0106 -0.0114 -0.0022 1531 LEU 139 HA -0.0053 -0.0148 -0.0026 1532 LEU 139 HB3 -0.0081 -0.0146 -0.0026 1533 LEU 139 HB2 -0.0112 -0.0134 -0.0024 1534 LEU 139 HG -0.0109 -0.0181 -0.0029 1535 LEU 139 HD11 -0.0131 -0.0212 -0.0032 1536 LEU 139 HD12 -0.0145 -0.0177 -0.0028 1537 LEU 139 HD13 -0.0118 -0.0187 -0.0030 1538 LEU 139 HD21 -0.0078 -0.0220 -0.0034 1539 LEU 139 HD22 -0.0054 -0.0189 -0.0031 1540 LEU 139 HD23 -0.0065 -0.0205 -0.0033 1541 VAL 140 N -0.0031 -0.0104 -0.0022 1542 VAL 140 CA -0.0017 -0.0078 -0.0019 1543 VAL 140 C -0.0004 -0.0089 -0.0021 1544 VAL 140 O 0.0013 -0.0111 -0.0023 1545 VAL 140 CB 0.0008 -0.0066 -0.0018 1546 VAL 140 CG1 0.0027 -0.0041 -0.0016 1547 VAL 140 CG2 -0.0004 -0.0054 -0.0017 1548 VAL 140 H -0.0019 -0.0122 -0.0024 1549 VAL 140 HA -0.0033 -0.0061 -0.0017 1550 VAL 140 HB 0.0024 -0.0083 -0.0021 1551 VAL 140 HG11 0.0043 -0.0032 -0.0015 1552 VAL 140 HG12 0.0039 -0.0049 -0.0017 1553 VAL 140 HG13 0.0012 -0.0023 -0.0014 1554 VAL 140 HG21 0.0013 -0.0044 -0.0016 1555 VAL 140 HG22 -0.0021 -0.0037 -0.0015 1556 VAL 140 HG23 -0.0015 -0.0071 -0.0019 1557 SER 141 N 0.0039 -0.0023 -0.0033 1558 SER 141 CA 0.0039 -0.0026 -0.0032 1559 SER 141 C 0.0044 -0.0024 -0.0030 1560 SER 141 O 0.0044 -0.0020 -0.0031 1561 SER 141 CB 0.0035 -0.0026 -0.0034 1562 SER 141 OG 0.0030 -0.0027 -0.0036 1563 SER 141 H 0.0037 -0.0020 -0.0035 1564 SER 141 HA 0.0039 -0.0030 -0.0031 1565 SER 141 HB3 0.0035 -0.0028 -0.0033 1566 SER 141 HB2 0.0034 -0.0021 -0.0035 1567 SER 141 HG 0.0027 -0.0027 -0.0038 1568 VAL 142 N 0.0047 -0.0028 -0.0027 1569 VAL 142 CA 0.0052 -0.0026 -0.0025 1570 VAL 142 C 0.0052 -0.0028 -0.0024 1571 VAL 142 O 0.0055 -0.0025 -0.0024 1572 VAL 142 CB 0.0056 -0.0029 -0.0022 1573 VAL 142 CG1 0.0061 -0.0027 -0.0020 1574 VAL 142 CG2 0.0056 -0.0028 -0.0023 1575 VAL 142 H 0.0047 -0.0031 -0.0026 1576 VAL 142 HA 0.0053 -0.0022 -0.0026 1577 VAL 142 HB 0.0055 -0.0033 -0.0021 1578 VAL 142 HG11 0.0064 -0.0029 -0.0018 1579 VAL 142 HG12 0.0062 -0.0028 -0.0019 1580 VAL 142 HG13 0.0063 -0.0023 -0.0021 1581 VAL 142 HG21 0.0059 -0.0030 -0.0021 1582 VAL 142 HG22 0.0056 -0.0024 -0.0024 1583 VAL 142 HG23 0.0052 -0.0030 -0.0024 1584 GLY 143 N 0.0053 -0.0010 -0.0028 1585 GLY 143 CA 0.0044 -0.0003 -0.0031 1586 GLY 143 C 0.0037 -0.0001 -0.0020 1587 GLY 143 O 0.0040 -0.0004 -0.0012 1588 GLY 143 H 0.0053 -0.0012 -0.0020 1589 GLY 143 HA3 0.0045 -0.0002 -0.0034 1590 GLY 143 HA2 0.0042 0.0000 -0.0037 1591 CYS 144 N 0.0029 0.0005 -0.0020 1592 CYS 144 CA 0.0022 0.0008 -0.0011 1593 CYS 144 C 0.0018 0.0010 -0.0009 1594 CYS 144 O 0.0019 0.0011 -0.0016 1595 CYS 144 CB 0.0014 0.0014 -0.0013 1596 CYS 144 SG 0.0018 0.0012 -0.0015 1597 CYS 144 H 0.0028 0.0008 -0.0027 1598 CYS 144 HA 0.0025 0.0004 -0.0004 1599 CYS 144 HB3 0.0009 0.0016 -0.0007 1600 CYS 144 HB2 0.0012 0.0018 -0.0020 1601 THR 145 N -0.0014 0.0020 0.0021 1602 THR 145 CA -0.0010 0.0014 0.0021 1603 THR 145 C -0.0014 0.0009 0.0019 1604 THR 145 O -0.0019 0.0011 0.0016 1605 THR 145 CB -0.0009 0.0010 0.0020 1606 THR 145 OG1 -0.0004 0.0004 0.0021 1607 THR 145 CG2 -0.0015 0.0007 0.0017 1608 THR 145 H -0.0019 0.0020 0.0019 1609 THR 145 HA -0.0006 0.0014 0.0023 1610 THR 145 HB -0.0008 0.0013 0.0022 1611 THR 145 HG1 -0.0001 0.0006 0.0023 1612 THR 145 HG21 -0.0014 0.0005 0.0017 1613 THR 145 HG22 -0.0019 0.0011 0.0017 1614 THR 145 HG23 -0.0017 0.0003 0.0016 1615 CYS 146 N -0.0010 0.0005 0.0019 1616 CYS 146 CA -0.0012 0.0001 0.0017 1617 CYS 146 C -0.0014 -0.0006 0.0015 1618 CYS 146 O -0.0009 -0.0009 0.0016 1619 CYS 146 CB -0.0007 -0.0000 0.0019 1620 CYS 146 SG -0.0010 -0.0005 0.0017 1621 CYS 146 H -0.0005 0.0004 0.0021 1622 CYS 146 HA -0.0017 0.0003 0.0016 1623 CYS 146 HB3 -0.0003 -0.0003 0.0020 1624 CYS 146 HB2 -0.0006 0.0004 0.0021 1625 VAL 147 N -0.0033 -0.0012 0.0001 1626 VAL 147 CA -0.0037 -0.0019 -0.0023 1627 VAL 147 C -0.0024 -0.0029 -0.0036 1628 VAL 147 O -0.0020 -0.0028 -0.0027 1629 VAL 147 CB -0.0061 -0.0012 -0.0033 1630 VAL 147 CG1 -0.0075 -0.0003 -0.0024 1631 VAL 147 CG2 -0.0071 -0.0006 -0.0029 1632 VAL 147 H -0.0035 -0.0009 0.0006 1633 VAL 147 HA -0.0031 -0.0023 -0.0027 1634 VAL 147 HB -0.0063 -0.0017 -0.0051 1635 VAL 147 HG11 -0.0092 0.0003 -0.0031 1636 VAL 147 HG12 -0.0071 -0.0006 -0.0029 1637 VAL 147 HG13 -0.0074 0.0003 -0.0006 1638 VAL 147 HG21 -0.0088 -0.0001 -0.0035 1639 VAL 147 HG22 -0.0069 -0.0001 -0.0012 1640 VAL 147 HG23 -0.0064 -0.0013 -0.0038 1641 THR 148 N -0.0020 -0.0038 -0.0056 1642 THR 148 CA -0.0013 -0.0047 -0.0072 1643 THR 148 C -0.0032 -0.0041 -0.0080 1644 THR 148 O -0.0051 -0.0034 -0.0084 1645 THR 148 CB -0.0007 -0.0056 -0.0092 1646 THR 148 OG1 -0.0025 -0.0052 -0.0102 1647 THR 148 CG2 0.0012 -0.0062 -0.0086 1648 THR 148 H -0.0023 -0.0038 -0.0061 1649 THR 148 HA 0.0001 -0.0050 -0.0064 1650 THR 148 HB -0.0003 -0.0063 -0.0104 1651 THR 148 HG1 -0.0035 -0.0051 -0.0111 1652 THR 148 HG21 0.0016 -0.0069 -0.0100 1653 THR 148 HG22 0.0026 -0.0066 -0.0079 1654 THR 148 HG23 0.0008 -0.0056 -0.0073 1655 PRO 149 N -0.0070 -0.0086 -0.0214 1656 PRO 149 CA -0.0127 -0.0112 -0.0163 1657 PRO 149 C -0.0169 -0.0132 -0.0271 1658 PRO 149 O -0.0128 -0.0113 -0.0382 1659 PRO 149 CB -0.0031 -0.0068 -0.0078 1660 PRO 149 CG 0.0085 -0.0014 -0.0137 1661 PRO 149 CD 0.0056 -0.0028 -0.0181 1662 PRO 149 HA -0.0203 -0.0147 -0.0102 1663 PRO 149 HB3 -0.0038 -0.0071 0.0021 1664 PRO 149 HB2 -0.0036 -0.0070 -0.0072 1665 PRO 149 HG3 0.0159 0.0020 -0.0069 1666 PRO 149 HG2 0.0107 -0.0004 -0.0221 1667 PRO 149 HD2 0.0113 -0.0001 -0.0261 1668 PRO 149 HD3 0.0067 -0.0022 -0.0101 1669 ILE 150 N -0.0248 -0.0168 -0.0236 1670 ILE 150 CA -0.0275 -0.0181 -0.0318 1671 ILE 150 C -0.0190 -0.0141 -0.0275 1672 ILE 150 O -0.0192 -0.0142 -0.0162 1673 ILE 150 CB -0.0405 -0.0241 -0.0301 1674 ILE 150 CG1 -0.0495 -0.0282 -0.0348 1675 ILE 150 CG2 -0.0432 -0.0253 -0.0364 1676 ILE 150 CD1 -0.0486 -0.0278 -0.0493 1677 ILE 150 H -0.0269 -0.0177 -0.0141 1678 ILE 150 HA -0.0260 -0.0174 -0.0420 1679 ILE 150 HB -0.0421 -0.0248 -0.0197 1680 ILE 150 HG13 -0.0585 -0.0323 -0.0327 1681 ILE 150 HG12 -0.0483 -0.0276 -0.0292 1682 ILE 150 HG21 -0.0526 -0.0296 -0.0357 1683 ILE 150 HG22 -0.0384 -0.0231 -0.0317 1684 ILE 150 HG23 -0.0408 -0.0242 -0.0467 1685 ILE 150 HD11 -0.0567 -0.0316 -0.0525 1686 ILE 150 HD12 -0.0476 -0.0274 -0.0555 1687 ILE 150 HD13 -0.0413 -0.0245 -0.0513 1688 VAL 151 N 0.0310 0.0199 -0.0448 1689 VAL 151 CA 0.0358 0.0317 -0.0341 1690 VAL 151 C 0.0278 0.0208 -0.0338 1691 VAL 151 O 0.0250 0.0096 -0.0491 1692 VAL 151 CB 0.0511 0.0472 -0.0457 1693 VAL 151 CG1 0.0571 0.0601 -0.0359 1694 VAL 151 CG2 0.0595 0.0577 -0.0476 1695 VAL 151 H 0.0334 0.0158 -0.0602 1696 VAL 151 HA 0.0343 0.0372 -0.0181 1697 VAL 151 HB 0.0525 0.0415 -0.0615 1698 VAL 151 HG11 0.0680 0.0713 -0.0438 1699 VAL 151 HG12 0.0529 0.0537 -0.0371 1700 VAL 151 HG13 0.0552 0.0654 -0.0196 1701 VAL 151 HG21 0.0703 0.0689 -0.0553 1702 VAL 151 HG22 0.0580 0.0630 -0.0324 1703 VAL 151 HG23 0.0567 0.0495 -0.0568 1704 HIS 152 N 0.0243 0.0244 -0.0163 1705 HIS 152 CA 0.0172 0.0160 -0.0135 1706 HIS 152 C 0.0274 0.0305 -0.0126 1707 HIS 152 O 0.0306 0.0423 0.0029 1708 HIS 152 CB 0.0047 0.0085 0.0067 1709 HIS 152 CG -0.0059 -0.0059 0.0072 1710 HIS 152 ND1 -0.0045 -0.0026 0.0100 1711 HIS 152 CD2 -0.0184 -0.0240 0.0053 1712 HIS 152 CE1 -0.0158 -0.0182 0.0097 1713 HIS 152 NE2 -0.0246 -0.0317 0.0069 1714 HIS 152 H 0.0277 0.0346 -0.0048 1715 HIS 152 HA 0.0138 0.0051 -0.0264 1716 HIS 152 HB3 -0.0001 0.0031 0.0093 1717 HIS 152 HB2 0.0078 0.0191 0.0201 1718 HIS 152 HD1 0.0035 0.0092 0.0117 1719 HIS 152 HD2 -0.0234 -0.0320 0.0030 1720 HIS 152 HE1 -0.0175 -0.0198 0.0114 1721 HIS 153 N 0.0205 0.0097 -0.0117 1722 HIS 153 CA -0.0061 -0.0124 -0.0025 1723 HIS 153 C -0.0009 -0.0089 -0.0124 1724 HIS 153 O -0.0140 -0.0186 0.0036 1725 HIS 153 CB -0.0156 -0.0167 0.0394 1726 HIS 153 CG -0.0182 -0.0177 0.0517 1727 HIS 153 ND1 0.0052 0.0035 0.0624 1728 HIS 153 CD2 -0.0419 -0.0380 0.0544 1729 HIS 153 CE1 -0.0050 -0.0044 0.0714 1730 HIS 153 NE2 -0.0329 -0.0290 0.0671 1731 HIS 153 H 0.0308 0.0207 0.0107 1732 HIS 153 HA -0.0229 -0.0285 -0.0193 1733 HIS 153 HXT 0.0153 0.0030 -0.0350 1734 HIS 153 HB3 -0.0362 -0.0339 0.0456 1735 HIS 153 HB2 -0.0008 -0.0022 0.0573 1736 HIS 153 HD2 -0.0639 -0.0575 0.0487 1737 HIS 153 HE1 0.0080 0.0077 0.0809 1738 HIS 153 HE2 -0.0450 -0.0389 0.0728 1739 PHE 41 N 0.0036 0.0273 -0.0068 1740 PHE 41 CA 0.0032 0.0256 -0.0068 1741 PHE 41 C 0.0022 0.0155 -0.0147 1742 PHE 41 O 0.0036 0.0130 -0.0234 1743 PHE 41 CB 0.0069 0.0359 -0.0100 1744 PHE 41 CG 0.0075 0.0454 -0.0012 1745 PHE 41 CD1 0.0047 0.0444 0.0090 1746 PHE 41 CD2 0.0107 0.0551 -0.0029 1747 PHE 41 CE1 0.0052 0.0530 0.0171 1748 PHE 41 CE2 0.0111 0.0636 0.0052 1749 PHE 41 CZ 0.0084 0.0626 0.0152 1750 PHE 41 H1 0.0049 0.0347 -0.0032 1751 PHE 41 H2 0.0011 0.0215 -0.0031 1752 PHE 41 HA 0.0006 0.0240 0.0016 1753 PHE 41 HB3 0.0068 0.0340 -0.0116 1754 PHE 41 HB2 0.0096 0.0387 -0.0178 1755 PHE 41 HD1 0.0022 0.0370 0.0106 1756 PHE 41 HD2 0.0128 0.0560 -0.0106 1757 PHE 41 HE1 0.0030 0.0522 0.0249 1758 PHE 41 HE2 0.0136 0.0711 0.0038 1759 PHE 41 HZ 0.0088 0.0692 0.0215 1760 PRO 42 N -0.0002 0.0097 -0.0117 1761 PRO 42 CA -0.0012 0.0004 -0.0186 1762 PRO 42 C 0.0024 0.0039 -0.0293 1763 PRO 42 O 0.0044 0.0113 -0.0287 1764 PRO 42 CB -0.0046 -0.0049 -0.0110 1765 PRO 42 CG -0.0037 0.0046 -0.0033 1766 PRO 42 CD -0.0021 0.0117 -0.0016 1767 PRO 42 HA -0.0023 -0.0055 -0.0208 1768 PRO 42 HB3 -0.0075 -0.0108 -0.0061 1769 PRO 42 HB2 -0.0047 -0.0092 -0.0154 1770 PRO 42 HG3 -0.0063 0.0022 0.0044 1771 PRO 42 HG2 -0.0014 0.0092 -0.0076 1772 PRO 42 HD2 -0.0000 0.0203 -0.0000 1773 PRO 42 HD3 -0.0046 0.0092 0.0055 1774 ARG 43 N -0.0020 0.0065 -0.0123 1775 ARG 43 CA -0.0010 0.0057 -0.0123 1776 ARG 43 C -0.0016 0.0038 -0.0103 1777 ARG 43 O -0.0019 0.0036 -0.0098 1778 ARG 43 CB 0.0015 0.0050 -0.0136 1779 ARG 43 CG 0.0029 0.0039 -0.0137 1780 ARG 43 CD 0.0054 0.0030 -0.0149 1781 ARG 43 NE 0.0067 0.0016 -0.0148 1782 ARG 43 CZ 0.0073 -0.0005 -0.0134 1783 ARG 43 NH1 0.0065 -0.0016 -0.0119 1784 ARG 43 NH2 0.0087 -0.0015 -0.0137 1785 ARG 43 H -0.0009 0.0064 -0.0130 1786 ARG 43 HA -0.0017 0.0070 -0.0128 1787 ARG 43 HB3 0.0022 0.0039 -0.0132 1788 ARG 43 HB2 0.0019 0.0064 -0.0151 1789 ARG 43 HG3 0.0024 0.0051 -0.0144 1790 ARG 43 HG2 0.0024 0.0026 -0.0123 1791 ARG 43 HD3 0.0059 0.0022 -0.0146 1792 ARG 43 HD2 0.0059 0.0044 -0.0164 1793 ARG 43 HH22 0.0091 -0.0031 -0.0127 1794 ARG 43 HH21 0.0094 -0.0007 -0.0148 1795 ARG 43 HH12 0.0069 -0.0032 -0.0109 1796 ARG 43 HH11 0.0051 -0.0009 -0.0114 1797 ARG 43 HE 0.0073 0.0025 -0.0159 1798 THR 44 N -0.0016 0.0024 -0.0091 1799 THR 44 CA -0.0019 0.0004 -0.0073 1800 THR 44 C -0.0036 0.0002 -0.0058 1801 THR 44 O -0.0035 0.0006 -0.0062 1802 THR 44 CB 0.0004 -0.0016 -0.0074 1803 THR 44 OG1 0.0020 -0.0012 -0.0088 1804 THR 44 CG2 0.0004 -0.0038 -0.0055 1805 THR 44 H -0.0016 0.0027 -0.0094 1806 THR 44 HA -0.0025 0.0004 -0.0068 1807 THR 44 HB 0.0010 -0.0016 -0.0078 1808 THR 44 HG1 0.0011 -0.0007 -0.0086 1809 THR 44 HG21 0.0020 -0.0050 -0.0057 1810 THR 44 HG22 -0.0007 -0.0042 -0.0044 1811 THR 44 HG23 -0.0003 -0.0038 -0.0049 1812 VAL 45 N -0.0038 -0.0007 -0.0030 1813 VAL 45 CA -0.0036 -0.0006 -0.0014 1814 VAL 45 C -0.0034 -0.0007 -0.0003 1815 VAL 45 O -0.0036 -0.0004 -0.0007 1816 VAL 45 CB -0.0042 0.0007 -0.0011 1817 VAL 45 CG1 -0.0045 0.0008 -0.0022 1818 VAL 45 CG2 -0.0049 0.0021 -0.0010 1819 VAL 45 H -0.0042 0.0000 -0.0032 1820 VAL 45 HA -0.0031 -0.0015 -0.0013 1821 VAL 45 HB -0.0040 0.0007 0.0001 1822 VAL 45 HG11 -0.0048 0.0017 -0.0019 1823 VAL 45 HG12 -0.0040 -0.0001 -0.0023 1824 VAL 45 HG13 -0.0047 0.0010 -0.0034 1825 VAL 45 HG21 -0.0053 0.0030 -0.0008 1826 VAL 45 HG22 -0.0051 0.0022 -0.0021 1827 VAL 45 HG23 -0.0048 0.0021 -0.0001 1828 MET 46 N -0.0029 -0.0012 0.0011 1829 MET 46 CA -0.0027 -0.0013 0.0023 1830 MET 46 C -0.0032 0.0000 0.0034 1831 MET 46 O -0.0034 0.0005 0.0038 1832 MET 46 CB -0.0019 -0.0026 0.0032 1833 MET 46 CG -0.0014 -0.0040 0.0023 1834 MET 46 SD -0.0004 -0.0055 0.0033 1835 MET 46 CE -0.0004 -0.0056 0.0033 1836 MET 46 H -0.0028 -0.0014 0.0013 1837 MET 46 HA -0.0027 -0.0014 0.0019 1838 MET 46 HB3 -0.0018 -0.0026 0.0043 1839 MET 46 HB2 -0.0019 -0.0025 0.0036 1840 MET 46 HG3 -0.0015 -0.0040 0.0012 1841 MET 46 HG2 -0.0014 -0.0040 0.0019 1842 MET 46 HE1 0.0001 -0.0065 0.0039 1843 MET 46 HE2 -0.0006 -0.0056 0.0021 1844 MET 46 HE3 -0.0008 -0.0046 0.0039 1845 VAL 47 N -0.0004 0.0017 0.0022 1846 VAL 47 CA -0.0004 0.0024 0.0028 1847 VAL 47 C 0.0010 0.0041 0.0038 1848 VAL 47 O 0.0006 0.0052 0.0046 1849 VAL 47 CB -0.0025 0.0029 0.0032 1850 VAL 47 CG1 -0.0026 0.0039 0.0038 1851 VAL 47 CG2 -0.0039 0.0013 0.0021 1852 VAL 47 H -0.0008 0.0024 0.0028 1853 VAL 47 HA 0.0003 0.0016 0.0021 1854 VAL 47 HB -0.0032 0.0037 0.0038 1855 VAL 47 HG11 -0.0041 0.0041 0.0041 1856 VAL 47 HG12 -0.0018 0.0051 0.0047 1857 VAL 47 HG13 -0.0018 0.0032 0.0033 1858 VAL 47 HG21 -0.0054 0.0016 0.0024 1859 VAL 47 HG22 -0.0032 0.0004 0.0014 1860 VAL 47 HG23 -0.0042 0.0007 0.0017 1861 ASN 48 N 0.0025 0.0042 0.0038 1862 ASN 48 CA 0.0037 0.0057 0.0048 1863 ASN 48 C 0.0025 0.0068 0.0057 1864 ASN 48 O 0.0020 0.0063 0.0053 1865 ASN 48 CB 0.0058 0.0051 0.0043 1866 ASN 48 CG 0.0073 0.0065 0.0052 1867 ASN 48 OD1 0.0070 0.0080 0.0063 1868 ASN 48 ND2 0.0090 0.0060 0.0048 1869 ASN 48 H 0.0028 0.0031 0.0031 1870 ASN 48 HA 0.0041 0.0063 0.0053 1871 ASN 48 HB3 0.0055 0.0043 0.0038 1872 ASN 48 HB2 0.0066 0.0043 0.0038 1873 ASN 48 HD22 0.0100 0.0068 0.0053 1874 ASN 48 HD21 0.0093 0.0047 0.0039 1875 LEU 49 N 0.0038 0.0043 0.0056 1876 LEU 49 CA 0.0011 0.0059 0.0074 1877 LEU 49 C 0.0019 0.0073 0.0094 1878 LEU 49 O -0.0003 0.0086 0.0108 1879 LEU 49 CB 0.0003 0.0072 0.0091 1880 LEU 49 CG -0.0014 0.0061 0.0075 1881 LEU 49 CD1 -0.0021 0.0077 0.0095 1882 LEU 49 CD2 -0.0047 0.0052 0.0061 1883 LEU 49 H 0.0053 0.0045 0.0060 1884 LEU 49 HA -0.0011 0.0051 0.0063 1885 LEU 49 HB3 -0.0013 0.0086 0.0107 1886 LEU 49 HB2 0.0026 0.0079 0.0101 1887 LEU 49 HG 0.0003 0.0049 0.0061 1888 LEU 49 HD11 -0.0040 0.0072 0.0087 1889 LEU 49 HD12 0.0002 0.0079 0.0100 1890 LEU 49 HD13 -0.0030 0.0092 0.0114 1891 LEU 49 HD21 -0.0064 0.0050 0.0056 1892 LEU 49 HD22 -0.0062 0.0063 0.0073 1893 LEU 49 HD23 -0.0043 0.0037 0.0042 1894 ASN 50 N 0.0050 0.0071 0.0093 1895 ASN 50 CA 0.0060 0.0083 0.0110 1896 ASN 50 C 0.0046 0.0074 0.0097 1897 ASN 50 O 0.0063 0.0061 0.0082 1898 ASN 50 CB 0.0099 0.0083 0.0113 1899 ASN 50 CG 0.0113 0.0099 0.0134 1900 ASN 50 OD1 0.0104 0.0117 0.0157 1901 ASN 50 ND2 0.0138 0.0092 0.0127 1902 ASN 50 H 0.0066 0.0060 0.0080 1903 ASN 50 HA 0.0050 0.0099 0.0130 1904 ASN 50 HB3 0.0107 0.0089 0.0121 1905 ASN 50 HB2 0.0111 0.0068 0.0094 1906 ASN 50 HD22 0.0147 0.0102 0.0141 1907 ASN 50 HD21 0.0143 0.0076 0.0108 1908 ILE 51 N 0.0026 0.0072 0.0034 1909 ILE 51 CA 0.0010 0.0050 0.0021 1910 ILE 51 C 0.0012 0.0046 -0.0002 1911 ILE 51 O 0.0018 0.0054 0.0000 1912 ILE 51 CB -0.0008 0.0035 0.0043 1913 ILE 51 CG1 -0.0011 0.0037 0.0066 1914 ILE 51 CG2 -0.0025 0.0011 0.0031 1915 ILE 51 CD1 -0.0023 0.0030 0.0093 1916 ILE 51 H 0.0024 0.0074 0.0055 1917 ILE 51 HA 0.0009 0.0046 0.0013 1918 ILE 51 HB -0.0005 0.0040 0.0052 1919 ILE 51 HG13 0.0002 0.0053 0.0071 1920 ILE 51 HG12 -0.0018 0.0027 0.0060 1921 ILE 51 HG21 -0.0037 0.0001 0.0046 1922 ILE 51 HG22 -0.0025 0.0008 0.0017 1923 ILE 51 HG23 -0.0027 0.0006 0.0019 1924 ILE 51 HD11 -0.0029 0.0026 0.0106 1925 ILE 51 HD12 -0.0014 0.0044 0.0105 1926 ILE 51 HD13 -0.0033 0.0017 0.0089 1927 HIS 52 N 0.0005 0.0033 -0.0024 1928 HIS 52 CA 0.0002 0.0023 -0.0045 1929 HIS 52 C -0.0019 -0.0000 -0.0043 1930 HIS 52 O -0.0029 -0.0011 -0.0040 1931 HIS 52 CB 0.0011 0.0027 -0.0074 1932 HIS 52 CG 0.0032 0.0049 -0.0081 1933 HIS 52 ND1 0.0042 0.0066 -0.0062 1934 HIS 52 CD2 0.0044 0.0057 -0.0105 1935 HIS 52 CE1 0.0059 0.0082 -0.0076 1936 HIS 52 NE2 0.0061 0.0078 -0.0102 1937 HIS 52 H 0.0000 0.0027 -0.0026 1938 HIS 52 HA 0.0007 0.0030 -0.0042 1939 HIS 52 HB3 0.0005 0.0016 -0.0090 1940 HIS 52 HB2 0.0009 0.0024 -0.0076 1941 HIS 52 HD1 0.0037 0.0065 -0.0042 1942 HIS 52 HD2 0.0042 0.0050 -0.0125 1943 HIS 52 HE1 0.0070 0.0097 -0.0067 1944 ASN 53 N -0.0010 0.0016 -0.0123 1945 ASN 53 CA -0.0018 -0.0041 -0.0120 1946 ASN 53 C -0.0021 -0.0061 -0.0161 1947 ASN 53 O -0.0020 -0.0048 -0.0207 1948 ASN 53 CB -0.0021 -0.0061 -0.0127 1949 ASN 53 CG -0.0019 -0.0056 -0.0078 1950 ASN 53 OD1 -0.0024 -0.0093 -0.0058 1951 ASN 53 ND2 -0.0013 -0.0010 -0.0056 1952 ASN 53 H -0.0008 0.0032 -0.0151 1953 ASN 53 HA -0.0019 -0.0052 -0.0081 1954 ASN 53 HB3 -0.0026 -0.0102 -0.0135 1955 ASN 53 HB2 -0.0019 -0.0044 -0.0160 1956 ASN 53 HD22 -0.0011 -0.0005 -0.0025 1957 ASN 53 HD21 -0.0009 0.0021 -0.0071 1958 ARG 54 N -0.0025 -0.0090 -0.0143 1959 ARG 54 CA -0.0028 -0.0109 -0.0174 1960 ARG 54 C -0.0036 -0.0168 -0.0177 1961 ARG 54 O -0.0039 -0.0196 -0.0146 1962 ARG 54 CB -0.0025 -0.0092 -0.0147 1963 ARG 54 CG -0.0028 -0.0112 -0.0172 1964 ARG 54 CD -0.0026 -0.0092 -0.0227 1965 ARG 54 NE -0.0019 -0.0036 -0.0228 1966 ARG 54 CZ -0.0015 -0.0004 -0.0269 1967 ARG 54 NH1 -0.0018 -0.0022 -0.0317 1968 ARG 54 NH2 -0.0008 0.0045 -0.0262 1969 ARG 54 H -0.0026 -0.0101 -0.0105 1970 ARG 54 HA -0.0026 -0.0093 -0.0213 1971 ARG 54 HB3 -0.0026 -0.0105 -0.0107 1972 ARG 54 HB2 -0.0019 -0.0050 -0.0145 1973 ARG 54 HG3 -0.0034 -0.0154 -0.0171 1974 ARG 54 HG2 -0.0026 -0.0099 -0.0147 1975 ARG 54 HD3 -0.0028 -0.0099 -0.0251 1976 ARG 54 HD2 -0.0029 -0.0114 -0.0245 1977 ARG 54 HH22 -0.0005 0.0072 -0.0290 1978 ARG 54 HH21 -0.0006 0.0059 -0.0224 1979 ARG 54 HH12 -0.0016 0.0001 -0.0349 1980 ARG 54 HH11 -0.0023 -0.0060 -0.0323 1981 ARG 54 HE -0.0016 -0.0021 -0.0192 1982 ASN 55 N 0.0130 -0.0140 -0.0296 1983 ASN 55 CA 0.0089 -0.0207 -0.0312 1984 ASN 55 C -0.0058 -0.0157 -0.0197 1985 ASN 55 O -0.0135 -0.0218 -0.0189 1986 ASN 55 CB 0.0065 -0.0392 -0.0409 1987 ASN 55 CG 0.0200 -0.0458 -0.0526 1988 ASN 55 OD1 0.0323 -0.0371 -0.0545 1989 ASN 55 ND2 0.0180 -0.0615 -0.0608 1990 ASN 55 H 0.0240 -0.0063 -0.0314 1991 ASN 55 HA 0.0190 -0.0150 -0.0337 1992 ASN 55 HXT -0.0092 -0.0062 -0.0121 1993 ASN 55 HB3 0.0050 -0.0430 -0.0422 1994 ASN 55 HB2 -0.0047 -0.0453 -0.0380 1995 ASN 55 HD22 0.0268 -0.0661 -0.0687 1996 ASN 55 HD21 0.0081 -0.0689 -0.0595 1997 SER 64 N -0.0211 0.0133 -0.0151 1998 SER 64 CA -0.0216 0.0085 -0.0170 1999 SER 64 C -0.0190 0.0039 -0.0149 2000 SER 64 O -0.0169 0.0044 -0.0121 2001 SER 64 CB -0.0216 0.0090 -0.0168 2002 SER 64 OG -0.0185 0.0099 -0.0128 2003 SER 64 H1 -0.0232 0.0157 -0.0171 2004 SER 64 H2 -0.0200 0.0124 -0.0140 2005 SER 64 HA -0.0240 0.0077 -0.0201 2006 SER 64 HB3 -0.0235 0.0122 -0.0184 2007 SER 64 HB2 -0.0221 0.0056 -0.0183 2008 SER 64 HG -0.0181 0.0127 -0.0116 2009 ASP 65 N -0.0192 -0.0006 -0.0162 2010 ASP 65 CA -0.0169 -0.0053 -0.0146 2011 ASP 65 C -0.0144 -0.0061 -0.0117 2012 ASP 65 O -0.0123 -0.0101 -0.0102 2013 ASP 65 CB -0.0187 -0.0099 -0.0180 2014 ASP 65 CG -0.0214 -0.0103 -0.0214 2015 ASP 65 OD1 -0.0222 -0.0068 -0.0214 2016 ASP 65 OD2 -0.0226 -0.0141 -0.0238 2017 ASP 65 H -0.0211 -0.0009 -0.0186 2018 ASP 65 HA -0.0155 -0.0053 -0.0129 2019 ASP 65 HB3 -0.0199 -0.0098 -0.0194 2020 ASP 65 HB2 -0.0169 -0.0135 -0.0167 2021 TYR 66 N -0.0093 -0.0026 -0.0044 2022 TYR 66 CA -0.0080 -0.0027 -0.0028 2023 TYR 66 C -0.0060 -0.0035 -0.0005 2024 TYR 66 O -0.0049 -0.0050 0.0005 2025 TYR 66 CB -0.0084 0.0002 -0.0025 2026 TYR 66 CG -0.0102 0.0011 -0.0045 2027 TYR 66 CD1 -0.0114 -0.0008 -0.0065 2028 TYR 66 CD2 -0.0107 0.0040 -0.0043 2029 TYR 66 CE1 -0.0130 0.0002 -0.0082 2030 TYR 66 CE2 -0.0123 0.0050 -0.0061 2031 TYR 66 CZ -0.0135 0.0031 -0.0080 2032 TYR 66 OH -0.0150 0.0040 -0.0097 2033 TYR 66 H -0.0103 -0.0008 -0.0052 2034 TYR 66 HA -0.0083 -0.0044 -0.0036 2035 TYR 66 HB3 -0.0073 0.0001 -0.0011 2036 TYR 66 HB2 -0.0082 0.0019 -0.0018 2037 TYR 66 HD1 -0.0110 -0.0030 -0.0067 2038 TYR 66 HD2 -0.0098 0.0055 -0.0028 2039 TYR 66 HE1 -0.0138 -0.0013 -0.0097 2040 TYR 66 HE2 -0.0127 0.0072 -0.0059 2041 TYR 66 HH -0.0156 0.0025 -0.0109 2042 TYR 67 N -0.0055 -0.0026 0.0004 2043 TYR 67 CA -0.0037 -0.0032 0.0025 2044 TYR 67 C -0.0029 -0.0065 0.0026 2045 TYR 67 O -0.0012 -0.0073 0.0045 2046 TYR 67 CB -0.0036 -0.0015 0.0031 2047 TYR 67 CG -0.0045 -0.0025 0.0016 2048 TYR 67 CD1 -0.0065 -0.0017 -0.0006 2049 TYR 67 CD2 -0.0034 -0.0044 0.0025 2050 TYR 67 CE1 -0.0073 -0.0028 -0.0019 2051 TYR 67 CE2 -0.0042 -0.0054 0.0012 2052 TYR 67 CZ -0.0062 -0.0047 -0.0010 2053 TYR 67 OH -0.0069 -0.0058 -0.0023 2054 TYR 67 H -0.0066 -0.0014 -0.0006 2055 TYR 67 HA -0.0028 -0.0025 0.0039 2056 TYR 67 HB3 -0.0043 0.0008 0.0029 2057 TYR 67 HB2 -0.0022 -0.0015 0.0049 2058 TYR 67 HD1 -0.0073 -0.0003 -0.0012 2059 TYR 67 HD2 -0.0019 -0.0050 0.0042 2060 TYR 67 HE1 -0.0088 -0.0021 -0.0036 2061 TYR 67 HE2 -0.0034 -0.0069 0.0019 2062 TYR 67 HH -0.0082 -0.0049 -0.0037 2063 ASN 68 N -0.0056 -0.0069 -0.0023 2064 ASN 68 CA -0.0041 -0.0115 -0.0033 2065 ASN 68 C -0.0035 -0.0132 -0.0037 2066 ASN 68 O -0.0010 -0.0163 -0.0028 2067 ASN 68 CB -0.0063 -0.0135 -0.0067 2068 ASN 68 CG -0.0062 -0.0130 -0.0064 2069 ASN 68 OD1 -0.0036 -0.0133 -0.0038 2070 ASN 68 ND2 -0.0090 -0.0124 -0.0090 2071 ASN 68 H -0.0081 -0.0056 -0.0042 2072 ASN 68 HA -0.0016 -0.0124 -0.0012 2073 ASN 68 HB3 -0.0054 -0.0169 -0.0077 2074 ASN 68 HB2 -0.0089 -0.0122 -0.0087 2075 ASN 68 HD22 -0.0091 -0.0118 -0.0087 2076 ASN 68 HD21 -0.0111 -0.0122 -0.0111 2077 ARG 69 N -0.0059 -0.0114 -0.0051 2078 ARG 69 CA -0.0058 -0.0130 -0.0059 2079 ARG 69 C -0.0035 -0.0118 -0.0028 2080 ARG 69 O -0.0028 -0.0135 -0.0031 2081 ARG 69 CB -0.0093 -0.0112 -0.0086 2082 ARG 69 CG -0.0119 -0.0128 -0.0123 2083 ARG 69 CD -0.0155 -0.0100 -0.0145 2084 ARG 69 NE -0.0162 -0.0092 -0.0147 2085 ARG 69 CZ -0.0189 -0.0062 -0.0158 2086 ARG 69 NH1 -0.0190 -0.0059 -0.0158 2087 ARG 69 NH2 -0.0213 -0.0036 -0.0169 2088 ARG 69 H -0.0079 -0.0088 -0.0058 2089 ARG 69 HA -0.0050 -0.0164 -0.0070 2090 ARG 69 HB3 -0.0092 -0.0120 -0.0089 2091 ARG 69 HB2 -0.0103 -0.0077 -0.0076 2092 ARG 69 HG3 -0.0116 -0.0127 -0.0119 2093 ARG 69 HG2 -0.0114 -0.0161 -0.0136 2094 ARG 69 HD3 -0.0162 -0.0071 -0.0135 2095 ARG 69 HD2 -0.0172 -0.0117 -0.0171 2096 ARG 69 HH22 -0.0233 -0.0013 -0.0177 2097 ARG 69 HH21 -0.0213 -0.0037 -0.0169 2098 ARG 69 HH12 -0.0209 -0.0038 -0.0166 2099 ARG 69 HH11 -0.0171 -0.0079 -0.0149 2100 ARG 69 HE -0.0145 -0.0113 -0.0141 2101 SER 70 N -0.0025 -0.0032 0.0046 2102 SER 70 CA -0.0018 -0.0025 0.0054 2103 SER 70 C -0.0006 -0.0027 0.0051 2104 SER 70 O -0.0002 -0.0033 0.0044 2105 SER 70 CB -0.0022 -0.0023 0.0057 2106 SER 70 OG -0.0015 -0.0017 0.0063 2107 SER 70 H -0.0030 -0.0034 0.0044 2108 SER 70 HA -0.0020 -0.0021 0.0059 2109 SER 70 HB3 -0.0022 -0.0027 0.0052 2110 SER 70 HB2 -0.0030 -0.0021 0.0060 2111 SER 70 HG -0.0018 -0.0013 0.0069 2112 THR 71 N 0.0001 -0.0021 0.0057 2113 THR 71 CA 0.0013 -0.0021 0.0057 2114 THR 71 C 0.0016 -0.0021 0.0056 2115 THR 71 O 0.0025 -0.0023 0.0053 2116 THR 71 CB 0.0019 -0.0015 0.0065 2117 THR 71 OG1 0.0015 -0.0008 0.0072 2118 THR 71 CG2 0.0017 -0.0014 0.0065 2119 THR 71 H -0.0002 -0.0017 0.0063 2120 THR 71 HA 0.0016 -0.0026 0.0051 2121 THR 71 HB 0.0028 -0.0015 0.0064 2122 THR 71 HG1 0.0017 -0.0008 0.0072 2123 THR 71 HG21 0.0021 -0.0010 0.0071 2124 THR 71 HG22 0.0020 -0.0019 0.0059 2125 THR 71 HG23 0.0008 -0.0014 0.0066 2126 SER 72 N -0.0011 -0.0026 0.0072 2127 SER 72 CA 0.0004 -0.0024 0.0075 2128 SER 72 C 0.0003 -0.0030 0.0076 2129 SER 72 O 0.0004 -0.0021 0.0074 2130 SER 72 CB 0.0008 -0.0008 0.0073 2131 SER 72 OG -0.0003 0.0000 0.0069 2132 SER 72 H -0.0019 -0.0022 0.0070 2133 SER 72 HA 0.0011 -0.0031 0.0078 2134 SER 72 HB3 0.0011 -0.0006 0.0073 2135 SER 72 HB2 0.0018 -0.0006 0.0074 2136 SER 72 HG -0.0007 -0.0004 0.0069 2137 PRO 73 N 0.0001 -0.0044 0.0078 2138 PRO 73 CA -0.0001 -0.0050 0.0079 2139 PRO 73 C 0.0013 -0.0049 0.0081 2140 PRO 73 O 0.0024 -0.0047 0.0083 2141 PRO 73 CB -0.0006 -0.0066 0.0081 2142 PRO 73 CG 0.0002 -0.0070 0.0083 2143 PRO 73 CD 0.0001 -0.0056 0.0080 2144 PRO 73 HA -0.0010 -0.0045 0.0076 2145 PRO 73 HB3 -0.0017 -0.0067 0.0078 2146 PRO 73 HB2 -0.0003 -0.0073 0.0082 2147 PRO 73 HG3 -0.0003 -0.0079 0.0083 2148 PRO 73 HG2 0.0013 -0.0072 0.0085 2149 PRO 73 HD2 0.0010 -0.0055 0.0082 2150 PRO 73 HD3 -0.0008 -0.0056 0.0078 2151 TRP 74 N 0.0015 -0.0035 0.0095 2152 TRP 74 CA 0.0028 -0.0021 0.0106 2153 TRP 74 C 0.0029 -0.0020 0.0107 2154 TRP 74 O 0.0019 -0.0029 0.0098 2155 TRP 74 CB 0.0030 0.0000 0.0099 2156 TRP 74 CG 0.0022 0.0013 0.0082 2157 TRP 74 CD1 0.0024 0.0026 0.0079 2158 TRP 74 CD2 0.0009 0.0013 0.0065 2159 TRP 74 NE1 0.0015 0.0036 0.0062 2160 TRP 74 CE2 0.0005 0.0028 0.0053 2161 TRP 74 CE3 0.0000 0.0002 0.0059 2162 TRP 74 CZ2 -0.0007 0.0032 0.0035 2163 TRP 74 CZ3 -0.0012 0.0006 0.0042 2164 TRP 74 CH2 -0.0015 0.0021 0.0030 2165 TRP 74 H 0.0007 -0.0036 0.0085 2166 TRP 74 HA 0.0036 -0.0026 0.0119 2167 TRP 74 HB3 0.0030 -0.0001 0.0099 2168 TRP 74 HB2 0.0041 0.0010 0.0108 2169 TRP 74 HD1 0.0033 0.0030 0.0089 2170 TRP 74 HE1 0.0015 0.0047 0.0057 2171 TRP 74 HE3 0.0003 -0.0009 0.0068 2172 TRP 74 HZ2 -0.0010 0.0043 0.0026 2173 TRP 74 HZ3 -0.0018 -0.0002 0.0038 2174 TRP 74 HH2 -0.0025 0.0024 0.0017 2175 ASN 75 N 0.0041 -0.0010 0.0118 2176 ASN 75 CA 0.0044 -0.0007 0.0120 2177 ASN 75 C 0.0053 0.0015 0.0121 2178 ASN 75 O 0.0062 0.0023 0.0130 2179 ASN 75 CB 0.0052 -0.0021 0.0137 2180 ASN 75 CG 0.0043 -0.0043 0.0136 2181 ASN 75 OD1 0.0040 -0.0054 0.0137 2182 ASN 75 ND2 0.0038 -0.0051 0.0132 2183 ASN 75 H 0.0049 -0.0004 0.0125 2184 ASN 75 HA 0.0035 -0.0010 0.0109 2185 ASN 75 HB3 0.0056 -0.0016 0.0140 2186 ASN 75 HB2 0.0061 -0.0019 0.0148 2187 ASN 75 HD22 0.0032 -0.0066 0.0131 2188 ASN 75 HD21 0.0040 -0.0043 0.0131 2189 LEU 76 N 0.0049 0.0046 0.0113 2190 LEU 76 CA 0.0053 0.0055 0.0112 2191 LEU 76 C 0.0058 0.0057 0.0119 2192 LEU 76 O 0.0057 0.0055 0.0122 2193 LEU 76 CB 0.0052 0.0059 0.0104 2194 LEU 76 CG 0.0048 0.0057 0.0096 2195 LEU 76 CD1 0.0047 0.0061 0.0088 2196 LEU 76 CD2 0.0050 0.0061 0.0094 2197 LEU 76 H 0.0047 0.0044 0.0110 2198 LEU 76 HA 0.0054 0.0056 0.0111 2199 LEU 76 HB3 0.0056 0.0065 0.0104 2200 LEU 76 HB2 0.0051 0.0057 0.0104 2201 LEU 76 HG 0.0045 0.0051 0.0096 2202 LEU 76 HD11 0.0044 0.0059 0.0083 2203 LEU 76 HD12 0.0047 0.0059 0.0089 2204 LEU 76 HD13 0.0050 0.0067 0.0087 2205 LEU 76 HD21 0.0049 0.0064 0.0088 2206 LEU 76 HD22 0.0053 0.0064 0.0099 2207 LEU 76 HD23 0.0047 0.0056 0.0095 2208 HIS 77 N 0.0062 0.0063 0.0123 2209 HIS 77 CA 0.0066 0.0067 0.0129 2210 HIS 77 C 0.0069 0.0075 0.0126 2211 HIS 77 O 0.0069 0.0079 0.0121 2212 HIS 77 CB 0.0068 0.0066 0.0136 2213 HIS 77 CG 0.0066 0.0057 0.0140 2214 HIS 77 ND1 0.0061 0.0051 0.0137 2215 HIS 77 CD2 0.0068 0.0054 0.0149 2216 HIS 77 CE1 0.0060 0.0045 0.0142 2217 HIS 77 NE2 0.0064 0.0046 0.0150 2218 HIS 77 H 0.0061 0.0064 0.0120 2219 HIS 77 HA 0.0066 0.0064 0.0132 2220 HIS 77 HB3 0.0072 0.0069 0.0140 2221 HIS 77 HB2 0.0068 0.0068 0.0133 2222 HIS 77 HD1 0.0059 0.0051 0.0130 2223 HIS 77 HD2 0.0071 0.0058 0.0154 2224 HIS 77 HE1 0.0056 0.0039 0.0141 2225 ARG 78 N 0.0035 0.0058 0.0083 2226 ARG 78 CA 0.0026 0.0030 0.0092 2227 ARG 78 C 0.0025 0.0014 0.0069 2228 ARG 78 O 0.0024 0.0005 0.0048 2229 ARG 78 CB 0.0022 0.0015 0.0100 2230 ARG 78 CG 0.0013 -0.0012 0.0115 2231 ARG 78 CD 0.0008 -0.0026 0.0123 2232 ARG 78 NE -0.0000 -0.0054 0.0134 2233 ARG 78 CZ -0.0005 -0.0078 0.0118 2234 ARG 78 NH1 -0.0012 -0.0102 0.0130 2235 ARG 78 NH2 -0.0001 -0.0077 0.0089 2236 ARG 78 H 0.0036 0.0060 0.0071 2237 ARG 78 HA 0.0025 0.0032 0.0112 2238 ARG 78 HB3 0.0023 0.0011 0.0081 2239 ARG 78 HB2 0.0024 0.0029 0.0113 2240 ARG 78 HG3 0.0012 -0.0007 0.0135 2241 ARG 78 HG2 0.0010 -0.0027 0.0104 2242 ARG 78 HD3 0.0011 -0.0024 0.0106 2243 ARG 78 HD2 0.0010 -0.0015 0.0142 2244 ARG 78 HH22 -0.0005 -0.0096 0.0078 2245 ARG 78 HH21 0.0004 -0.0060 0.0078 2246 ARG 78 HH12 -0.0015 -0.0119 0.0118 2247 ARG 78 HH11 -0.0015 -0.0106 0.0151 2248 ARG 78 HE -0.0003 -0.0055 0.0155 2249 ASN 79 N 0.0024 0.0012 0.0073 2250 ASN 79 CA 0.0022 -0.0003 0.0054 2251 ASN 79 C 0.0013 -0.0032 0.0065 2252 ASN 79 O 0.0009 -0.0036 0.0089 2253 ASN 79 CB 0.0026 0.0014 0.0056 2254 ASN 79 CG 0.0024 0.0002 0.0040 2255 ASN 79 OD1 0.0018 -0.0023 0.0039 2256 ASN 79 ND2 0.0030 0.0020 0.0029 2257 ASN 79 H 0.0024 0.0020 0.0092 2258 ASN 79 HA 0.0024 -0.0003 0.0032 2259 ASN 79 HB3 0.0024 0.0016 0.0078 2260 ASN 79 HB2 0.0032 0.0035 0.0049 2261 ASN 79 HD22 0.0030 0.0014 0.0019 2262 ASN 79 HD21 0.0036 0.0041 0.0031 2263 GLU 80 N 0.0005 -0.0052 0.0007 2264 GLU 80 CA -0.0003 -0.0079 0.0014 2265 GLU 80 C 0.0011 -0.0088 -0.0007 2266 GLU 80 O 0.0027 -0.0084 -0.0029 2267 GLU 80 CB -0.0010 -0.0106 0.0021 2268 GLU 80 CG -0.0019 -0.0134 0.0029 2269 GLU 80 CD -0.0031 -0.0156 0.0044 2270 GLU 80 OE1 -0.0026 -0.0164 0.0036 2271 GLU 80 OE2 -0.0047 -0.0162 0.0065 2272 GLU 80 H 0.0016 -0.0055 -0.0009 2273 GLU 80 HA -0.0014 -0.0072 0.0031 2274 GLU 80 HB3 0.0000 -0.0113 0.0005 2275 GLU 80 HB2 -0.0020 -0.0098 0.0036 2276 GLU 80 HG3 -0.0026 -0.0126 0.0041 2277 GLU 80 HG2 -0.0008 -0.0147 0.0013 2278 ASP 81 N 0.0004 -0.0099 0.0002 2279 ASP 81 CA 0.0015 -0.0105 -0.0014 2280 ASP 81 C 0.0002 -0.0129 0.0000 2281 ASP 81 O -0.0011 -0.0121 0.0020 2282 ASP 81 CB 0.0019 -0.0075 -0.0016 2283 ASP 81 CG 0.0030 -0.0074 -0.0031 2284 ASP 81 OD1 0.0032 -0.0098 -0.0037 2285 ASP 81 OD2 0.0034 -0.0047 -0.0033 2286 ASP 81 H -0.0009 -0.0100 0.0020 2287 ASP 81 HA 0.0027 -0.0114 -0.0032 2288 ASP 81 HB3 0.0007 -0.0065 0.0003 2289 ASP 81 HB2 0.0027 -0.0059 -0.0025 2290 PRO 82 N -0.0032 -0.0157 -0.0069 2291 PRO 82 CA -0.0064 -0.0172 -0.0061 2292 PRO 82 C -0.0069 -0.0149 -0.0049 2293 PRO 82 O -0.0099 -0.0153 -0.0036 2294 PRO 82 CB -0.0056 -0.0211 -0.0081 2295 PRO 82 CG -0.0015 -0.0208 -0.0099 2296 PRO 82 CD -0.0003 -0.0180 -0.0093 2297 PRO 82 HA -0.0089 -0.0174 -0.0050 2298 PRO 82 HB3 -0.0068 -0.0231 -0.0083 2299 PRO 82 HB2 -0.0068 -0.0222 -0.0080 2300 PRO 82 HG3 -0.0005 -0.0235 -0.0115 2301 PRO 82 HG2 -0.0004 -0.0197 -0.0100 2302 PRO 82 HD2 0.0024 -0.0164 -0.0099 2303 PRO 82 HD3 -0.0002 -0.0194 -0.0099 2304 GLU 83 N -0.0039 -0.0125 -0.0053 2305 GLU 83 CA -0.0039 -0.0099 -0.0042 2306 GLU 83 C -0.0053 -0.0063 -0.0020 2307 GLU 83 O -0.0051 -0.0038 -0.0010 2308 GLU 83 CB 0.0000 -0.0091 -0.0057 2309 GLU 83 CG 0.0013 -0.0125 -0.0077 2310 GLU 83 CD -0.0010 -0.0139 -0.0072 2311 GLU 83 OE1 -0.0013 -0.0116 -0.0061 2312 GLU 83 OE2 -0.0027 -0.0172 -0.0078 2313 GLU 83 H -0.0016 -0.0122 -0.0063 2314 GLU 83 HA -0.0057 -0.0112 -0.0039 2315 GLU 83 HB3 0.0003 -0.0068 -0.0049 2316 GLU 83 HB2 0.0020 -0.0082 -0.0063 2317 GLU 83 HG3 0.0041 -0.0118 -0.0088 2318 GLU 83 HG2 0.0012 -0.0148 -0.0087 2319 ARG 84 N -0.0024 -0.0024 0.0025 2320 ARG 84 CA -0.0024 -0.0019 0.0032 2321 ARG 84 C -0.0030 -0.0020 0.0036 2322 ARG 84 O -0.0032 -0.0025 0.0032 2323 ARG 84 CB -0.0016 -0.0014 0.0030 2324 ARG 84 CG -0.0015 -0.0007 0.0036 2325 ARG 84 CD -0.0007 -0.0003 0.0034 2326 ARG 84 NE -0.0006 -0.0006 0.0030 2327 ARG 84 CZ -0.0000 -0.0006 0.0024 2328 ARG 84 NH1 -0.0000 -0.0008 0.0022 2329 ARG 84 NH2 0.0006 -0.0003 0.0022 2330 ARG 84 H -0.0024 -0.0027 0.0022 2331 ARG 84 HA -0.0025 -0.0016 0.0035 2332 ARG 84 HB3 -0.0016 -0.0017 0.0027 2333 ARG 84 HB2 -0.0012 -0.0014 0.0027 2334 ARG 84 HG3 -0.0015 -0.0005 0.0039 2335 ARG 84 HG2 -0.0019 -0.0007 0.0040 2336 ARG 84 HD3 -0.0003 -0.0002 0.0031 2337 ARG 84 HD2 -0.0006 0.0002 0.0039 2338 ARG 84 HH22 0.0011 -0.0003 0.0018 2339 ARG 84 HH21 0.0006 -0.0004 0.0021 2340 ARG 84 HH12 0.0004 -0.0008 0.0018 2341 ARG 84 HH11 -0.0005 -0.0011 0.0023 2342 ARG 84 HE -0.0011 -0.0008 0.0032 2343 TYR 85 N -0.0033 -0.0016 0.0043 2344 TYR 85 CA -0.0038 -0.0016 0.0047 2345 TYR 85 C -0.0034 -0.0009 0.0052 2346 TYR 85 O -0.0033 -0.0004 0.0056 2347 TYR 85 CB -0.0046 -0.0019 0.0052 2348 TYR 85 CG -0.0051 -0.0019 0.0056 2349 TYR 85 CD1 -0.0051 -0.0013 0.0063 2350 TYR 85 CD2 -0.0056 -0.0025 0.0054 2351 TYR 85 CE1 -0.0055 -0.0013 0.0067 2352 TYR 85 CE2 -0.0060 -0.0025 0.0058 2353 TYR 85 CZ -0.0060 -0.0019 0.0065 2354 TYR 85 OH -0.0065 -0.0019 0.0069 2355 TYR 85 H -0.0032 -0.0013 0.0045 2356 TYR 85 HA -0.0038 -0.0019 0.0044 2357 TYR 85 HB3 -0.0046 -0.0016 0.0055 2358 TYR 85 HB2 -0.0048 -0.0023 0.0048 2359 TYR 85 HD1 -0.0047 -0.0008 0.0065 2360 TYR 85 HD2 -0.0056 -0.0029 0.0049 2361 TYR 85 HE1 -0.0055 -0.0008 0.0072 2362 TYR 85 HE2 -0.0064 -0.0029 0.0056 2363 TYR 85 HH -0.0069 -0.0023 0.0067 2364 PRO 86 N -0.0045 -0.0026 0.0075 2365 PRO 86 CA -0.0049 -0.0038 0.0081 2366 PRO 86 C -0.0037 -0.0047 0.0070 2367 PRO 86 O -0.0028 -0.0037 0.0060 2368 PRO 86 CB -0.0059 -0.0025 0.0088 2369 PRO 86 CG -0.0064 -0.0009 0.0090 2370 PRO 86 CD -0.0052 -0.0007 0.0078 2371 PRO 86 HA -0.0054 -0.0049 0.0088 2372 PRO 86 HB3 -0.0067 -0.0032 0.0097 2373 PRO 86 HB2 -0.0054 -0.0019 0.0082 2374 PRO 86 HG3 -0.0072 -0.0014 0.0099 2375 PRO 86 HG2 -0.0068 0.0004 0.0092 2376 PRO 86 HD2 -0.0045 0.0001 0.0070 2377 PRO 86 HD3 -0.0055 0.0000 0.0079 2378 SER 87 N -0.0036 -0.0064 0.0073 2379 SER 87 CA -0.0025 -0.0073 0.0064 2380 SER 87 C -0.0025 -0.0065 0.0063 2381 SER 87 O -0.0014 -0.0063 0.0052 2382 SER 87 CB -0.0026 -0.0095 0.0069 2383 SER 87 OG -0.0039 -0.0099 0.0082 2384 SER 87 H -0.0044 -0.0072 0.0082 2385 SER 87 HA -0.0016 -0.0071 0.0054 2386 SER 87 HB3 -0.0025 -0.0100 0.0068 2387 SER 87 HB2 -0.0018 -0.0102 0.0062 2388 SER 87 HG -0.0037 -0.0108 0.0082 2389 VAL 88 N -0.0001 -0.0070 0.0097 2390 VAL 88 CA -0.0001 -0.0054 0.0097 2391 VAL 88 C -0.0003 -0.0033 0.0100 2392 VAL 88 O -0.0010 -0.0031 0.0114 2393 VAL 88 CB -0.0009 -0.0058 0.0113 2394 VAL 88 CG1 -0.0010 -0.0041 0.0114 2395 VAL 88 CG2 -0.0007 -0.0079 0.0110 2396 VAL 88 H -0.0007 -0.0074 0.0110 2397 VAL 88 HA 0.0005 -0.0054 0.0083 2398 VAL 88 HB -0.0015 -0.0058 0.0127 2399 VAL 88 HG11 -0.0014 -0.0045 0.0124 2400 VAL 88 HG12 -0.0012 -0.0026 0.0119 2401 VAL 88 HG13 -0.0003 -0.0038 0.0100 2402 VAL 88 HG21 -0.0012 -0.0082 0.0122 2403 VAL 88 HG22 -0.0001 -0.0080 0.0097 2404 VAL 88 HG23 -0.0007 -0.0092 0.0111 2405 ILE 89 N 0.0002 -0.0017 0.0089 2406 ILE 89 CA 0.0000 0.0005 0.0091 2407 ILE 89 C 0.0000 0.0016 0.0090 2408 ILE 89 O 0.0006 0.0011 0.0078 2409 ILE 89 CB 0.0007 0.0013 0.0075 2410 ILE 89 CG1 0.0007 0.0003 0.0077 2411 ILE 89 CG2 0.0008 0.0037 0.0073 2412 ILE 89 CD1 -0.0002 0.0009 0.0095 2413 ILE 89 H 0.0007 -0.0020 0.0078 2414 ILE 89 HA -0.0006 0.0008 0.0105 2415 ILE 89 HB 0.0014 0.0008 0.0062 2416 ILE 89 HG13 0.0012 0.0007 0.0064 2417 ILE 89 HG12 0.0007 -0.0014 0.0077 2418 ILE 89 HG21 0.0013 0.0041 0.0062 2419 ILE 89 HG22 0.0010 0.0044 0.0069 2420 ILE 89 HG23 0.0002 0.0044 0.0086 2421 ILE 89 HD11 -0.0001 0.0003 0.0094 2422 ILE 89 HD12 -0.0003 0.0026 0.0097 2423 ILE 89 HD13 -0.0007 0.0001 0.0107 2424 TRP 90 N 0.0049 0.0038 0.0119 2425 TRP 90 CA 0.0047 0.0044 0.0120 2426 TRP 90 C 0.0047 0.0054 0.0115 2427 TRP 90 O 0.0045 0.0060 0.0117 2428 TRP 90 CB 0.0042 0.0046 0.0131 2429 TRP 90 CG 0.0042 0.0037 0.0136 2430 TRP 90 CD1 0.0041 0.0030 0.0141 2431 TRP 90 CD2 0.0042 0.0033 0.0137 2432 TRP 90 NE1 0.0041 0.0023 0.0146 2433 TRP 90 CE2 0.0041 0.0024 0.0143 2434 TRP 90 CE3 0.0043 0.0036 0.0133 2435 TRP 90 CZ2 0.0041 0.0019 0.0146 2436 TRP 90 CZ3 0.0043 0.0031 0.0136 2437 TRP 90 CH2 0.0042 0.0023 0.0142 2438 TRP 90 H 0.0047 0.0040 0.0123 2439 TRP 90 HA 0.0049 0.0041 0.0118 2440 TRP 90 HB3 0.0041 0.0051 0.0131 2441 TRP 90 HB2 0.0040 0.0048 0.0134 2442 TRP 90 HD1 0.0040 0.0031 0.0142 2443 TRP 90 HE1 0.0040 0.0017 0.0150 2444 TRP 90 HE3 0.0044 0.0042 0.0128 2445 TRP 90 HZ2 0.0041 0.0012 0.0150 2446 TRP 90 HZ3 0.0044 0.0034 0.0133 2447 TRP 90 HH2 0.0042 0.0019 0.0144 2448 GLU 91 N 0.0050 0.0056 0.0107 2449 GLU 91 CA 0.0051 0.0065 0.0101 2450 GLU 91 C 0.0049 0.0072 0.0103 2451 GLU 91 O 0.0050 0.0070 0.0102 2452 GLU 91 CB 0.0056 0.0062 0.0091 2453 GLU 91 CG 0.0057 0.0071 0.0084 2454 GLU 91 CD 0.0062 0.0069 0.0075 2455 GLU 91 OE1 0.0065 0.0061 0.0071 2456 GLU 91 OE2 0.0062 0.0076 0.0070 2457 GLU 91 H 0.0052 0.0052 0.0106 2458 GLU 91 HA 0.0050 0.0069 0.0102 2459 GLU 91 HB3 0.0058 0.0057 0.0090 2460 GLU 91 HB2 0.0057 0.0058 0.0090 2461 GLU 91 HG3 0.0055 0.0077 0.0087 2462 GLU 91 HG2 0.0057 0.0074 0.0084 2463 ALA 92 N 0.0062 0.0056 0.0093 2464 ALA 92 CA 0.0055 0.0042 0.0095 2465 ALA 92 C 0.0053 0.0036 0.0108 2466 ALA 92 O 0.0055 0.0038 0.0110 2467 ALA 92 CB 0.0050 0.0036 0.0081 2468 ALA 92 H 0.0063 0.0059 0.0086 2469 ALA 92 HA 0.0054 0.0040 0.0095 2470 ALA 92 HB1 0.0044 0.0025 0.0082 2471 ALA 92 HB2 0.0050 0.0040 0.0071 2472 ALA 92 HB3 0.0050 0.0038 0.0079 2473 LYS 93 N 0.0051 0.0028 0.0117 2474 LYS 93 CA 0.0048 0.0019 0.0128 2475 LYS 93 C 0.0040 0.0005 0.0125 2476 LYS 93 O 0.0038 0.0003 0.0122 2477 LYS 93 CB 0.0051 0.0022 0.0143 2478 LYS 93 CG 0.0059 0.0036 0.0148 2479 LYS 93 CD 0.0061 0.0040 0.0148 2480 LYS 93 CE 0.0069 0.0052 0.0155 2481 LYS 93 NZ 0.0072 0.0058 0.0153 2482 LYS 93 H 0.0050 0.0027 0.0115 2483 LYS 93 HA 0.0048 0.0020 0.0128 2484 LYS 93 HB3 0.0049 0.0015 0.0152 2485 LYS 93 HB2 0.0051 0.0020 0.0144 2486 LYS 93 HG3 0.0061 0.0037 0.0159 2487 LYS 93 HG2 0.0062 0.0043 0.0141 2488 LYS 93 HD3 0.0061 0.0042 0.0136 2489 LYS 93 HD2 0.0058 0.0032 0.0152 2490 LYS 93 HE3 0.0070 0.0050 0.0167 2491 LYS 93 HE2 0.0073 0.0060 0.0152 2492 LYS 93 HZ1 0.0072 0.0062 0.0143 2493 LYS 93 HZ2 0.0076 0.0065 0.0159 2494 LYS 93 HZ3 0.0068 0.0051 0.0154 2495 CYS 94 N 0.0063 -0.0007 0.0116 2496 CYS 94 CA 0.0052 -0.0019 0.0114 2497 CYS 94 C 0.0055 -0.0038 0.0123 2498 CYS 94 O 0.0070 -0.0040 0.0133 2499 CYS 94 CB 0.0052 -0.0012 0.0111 2500 CYS 94 SG 0.0052 0.0012 0.0102 2501 CYS 94 H 0.0071 0.0003 0.0117 2502 CYS 94 HA 0.0040 -0.0019 0.0106 2503 CYS 94 HB3 0.0042 -0.0019 0.0108 2504 CYS 94 HB2 0.0063 -0.0014 0.0119 2505 ARG 95 N 0.0043 -0.0051 0.0121 2506 ARG 95 CA 0.0044 -0.0069 0.0128 2507 ARG 95 C 0.0049 -0.0079 0.0135 2508 ARG 95 O 0.0054 -0.0092 0.0144 2509 ARG 95 CB 0.0028 -0.0079 0.0122 2510 ARG 95 CG 0.0027 -0.0097 0.0129 2511 ARG 95 CD 0.0010 -0.0106 0.0122 2512 ARG 95 NE 0.0004 -0.0095 0.0114 2513 ARG 95 CZ -0.0011 -0.0097 0.0105 2514 ARG 95 NH1 -0.0023 -0.0110 0.0102 2515 ARG 95 NH2 -0.0014 -0.0085 0.0099 2516 ARG 95 H 0.0031 -0.0048 0.0112 2517 ARG 95 HA 0.0053 -0.0070 0.0134 2518 ARG 95 HB3 0.0018 -0.0079 0.0116 2519 ARG 95 HB2 0.0025 -0.0070 0.0117 2520 ARG 95 HG3 0.0036 -0.0098 0.0135 2521 ARG 95 HG2 0.0029 -0.0106 0.0133 2522 ARG 95 HD3 0.0011 -0.0118 0.0127 2523 ARG 95 HD2 0.0002 -0.0110 0.0118 2524 ARG 95 HH22 -0.0025 -0.0087 0.0092 2525 ARG 95 HH21 -0.0006 -0.0073 0.0099 2526 ARG 95 HH12 -0.0034 -0.0111 0.0096 2527 ARG 95 HH11 -0.0021 -0.0118 0.0107 2528 ARG 95 HE 0.0013 -0.0087 0.0116 2529 HIS 96 N -0.0010 0.0021 0.0081 2530 HIS 96 CA -0.0007 0.0016 0.0084 2531 HIS 96 C -0.0008 0.0014 0.0091 2532 HIS 96 O -0.0010 0.0016 0.0092 2533 HIS 96 CB -0.0002 0.0011 0.0080 2534 HIS 96 CG -0.0001 0.0013 0.0073 2535 HIS 96 ND1 -0.0002 0.0014 0.0071 2536 HIS 96 CD2 0.0000 0.0014 0.0067 2537 HIS 96 CE1 -0.0001 0.0016 0.0065 2538 HIS 96 NE2 0.0000 0.0016 0.0062 2539 HIS 96 H -0.0010 0.0021 0.0082 2540 HIS 96 HA -0.0008 0.0017 0.0085 2541 HIS 96 HB3 -0.0000 0.0008 0.0083 2542 HIS 96 HB2 -0.0001 0.0010 0.0080 2543 HIS 96 HD1 -0.0003 0.0014 0.0074 2544 HIS 96 HD2 0.0001 0.0013 0.0067 2545 HIS 96 HE1 -0.0001 0.0017 0.0062 2546 LEU 97 N -0.0007 0.0010 0.0096 2547 LEU 97 CA -0.0007 0.0007 0.0102 2548 LEU 97 C -0.0003 0.0002 0.0101 2549 LEU 97 O -0.0003 0.0002 0.0103 2550 LEU 97 CB -0.0007 0.0005 0.0107 2551 LEU 97 CG -0.0011 0.0010 0.0108 2552 LEU 97 CD1 -0.0010 0.0008 0.0112 2553 LEU 97 CD2 -0.0015 0.0014 0.0112 2554 LEU 97 H -0.0006 0.0009 0.0094 2555 LEU 97 HA -0.0010 0.0010 0.0104 2556 LEU 97 HB3 -0.0006 0.0003 0.0111 2557 LEU 97 HB2 -0.0004 0.0003 0.0104 2558 LEU 97 HG -0.0011 0.0013 0.0104 2559 LEU 97 HD11 -0.0013 0.0011 0.0113 2560 LEU 97 HD12 -0.0008 0.0005 0.0109 2561 LEU 97 HD13 -0.0010 0.0005 0.0117 2562 LEU 97 HD21 -0.0017 0.0014 0.0117 2563 LEU 97 HD22 -0.0014 0.0012 0.0114 2564 LEU 97 HD23 -0.0017 0.0018 0.0109 2565 GLY 98 N -0.0028 0.0032 0.0092 2566 GLY 98 CA -0.0019 0.0028 0.0093 2567 GLY 98 C -0.0013 0.0029 0.0093 2568 GLY 98 O -0.0015 0.0031 0.0092 2569 GLY 98 H -0.0029 0.0037 0.0089 2570 GLY 98 HA3 -0.0017 0.0031 0.0091 2571 GLY 98 HA2 -0.0020 0.0023 0.0097 2572 CYS 99 N -0.0005 0.0027 0.0093 2573 CYS 99 CA 0.0003 0.0028 0.0093 2574 CYS 99 C 0.0009 0.0033 0.0089 2575 CYS 99 O 0.0010 0.0034 0.0088 2576 CYS 99 CB 0.0008 0.0020 0.0097 2577 CYS 99 SG 0.0001 0.0012 0.0102 2578 CYS 99 H -0.0003 0.0026 0.0094 2579 CYS 99 HA 0.0001 0.0029 0.0092 2580 CYS 99 HB3 0.0013 0.0020 0.0096 2581 CYS 99 HB2 0.0010 0.0018 0.0098 2582 ILE 100 N 0.0004 0.0088 0.0075 2583 ILE 100 CA 0.0013 0.0093 0.0069 2584 ILE 100 C 0.0032 0.0158 0.0135 2585 ILE 100 O -0.0001 0.0168 0.0205 2586 ILE 100 CB -0.0050 0.0029 0.0074 2587 ILE 100 CG1 -0.0074 -0.0038 0.0012 2588 ILE 100 CG2 -0.0044 0.0033 0.0070 2589 ILE 100 CD1 -0.0023 -0.0040 -0.0074 2590 ILE 100 H -0.0043 0.0058 0.0106 2591 ILE 100 HA 0.0051 0.0096 0.0011 2592 ILE 100 HB -0.0089 0.0027 0.0132 2593 ILE 100 HG13 -0.0118 -0.0081 0.0017 2594 ILE 100 HG12 -0.0090 -0.0045 0.0025 2595 ILE 100 HG21 -0.0087 -0.0015 0.0067 2596 ILE 100 HG22 -0.0040 0.0072 0.0122 2597 ILE 100 HG23 -0.0002 0.0044 0.0018 2598 ILE 100 HD11 -0.0046 -0.0092 -0.0116 2599 ILE 100 HD12 0.0007 -0.0015 -0.0085 2600 ILE 100 HD13 0.0009 -0.0014 -0.0087 2601 ASN 101 N 0.0086 0.0200 0.0111 2602 ASN 101 CA 0.0114 0.0263 0.0163 2603 ASN 101 C 0.0085 0.0251 0.0191 2604 ASN 101 O 0.0045 0.0192 0.0168 2605 ASN 101 CB 0.0190 0.0317 0.0121 2606 ASN 101 CG 0.0224 0.0315 0.0063 2607 ASN 101 OD1 0.0194 0.0264 0.0034 2608 ASN 101 ND2 0.0286 0.0371 0.0047 2609 ASN 101 H 0.0110 0.0186 0.0052 2610 ASN 101 HA 0.0099 0.0284 0.0218 2611 ASN 101 HB3 0.0206 0.0314 0.0091 2612 ASN 101 HB2 0.0208 0.0367 0.0168 2613 ASN 101 HD22 0.0308 0.0376 0.0019 2614 ASN 101 HD21 0.0311 0.0413 0.0070 2615 ALA 102 N -0.0122 0.0506 0.0305 2616 ALA 102 CA -0.0265 0.0474 0.0449 2617 ALA 102 C -0.0243 0.0332 0.0375 2618 ALA 102 O -0.0371 0.0207 0.0471 2619 ALA 102 CB -0.0291 0.0720 0.0564 2620 ALA 102 H -0.0056 0.0676 0.0292 2621 ALA 102 HA -0.0380 0.0373 0.0539 2622 ALA 102 HB1 -0.0400 0.0701 0.0676 2623 ALA 102 HB2 -0.0317 0.0817 0.0627 2624 ALA 102 HB3 -0.0180 0.0829 0.0481 2625 ASP 103 N -0.0083 0.0350 0.0206 2626 ASP 103 CA -0.0032 0.0223 0.0107 2627 ASP 103 C -0.0051 -0.0044 0.0033 2628 ASP 103 O -0.0045 -0.0184 -0.0022 2629 ASP 103 CB 0.0154 0.0333 -0.0058 2630 ASP 103 CG 0.0213 0.0606 -0.0026 2631 ASP 103 OD1 0.0108 0.0723 0.0130 2632 ASP 103 OD2 0.0369 0.0697 -0.0164 2633 ASP 103 H 0.0015 0.0462 0.0139 2634 ASP 103 HA -0.0119 0.0235 0.0206 2635 ASP 103 HB3 0.0166 0.0270 -0.0093 2636 ASP 103 HB2 0.0244 0.0266 -0.0180 2637 GLY 104 N -0.0028 0.0014 0.0008 2638 GLY 104 CA -0.0161 -0.0151 -0.0110 2639 GLY 104 C -0.0022 -0.0174 -0.0264 2640 GLY 104 O -0.0089 -0.0318 -0.0410 2641 GLY 104 H -0.0029 0.0113 0.0151 2642 GLY 104 HA3 -0.0229 -0.0255 -0.0198 2643 GLY 104 HA2 -0.0302 -0.0157 0.0004 2644 ASN 105 N 0.0171 -0.0037 -0.0238 2645 ASN 105 CA 0.0321 -0.0037 -0.0368 2646 ASN 105 C 0.0285 0.0028 -0.0244 2647 ASN 105 O 0.0203 0.0116 -0.0048 2648 ASN 105 CB 0.0565 0.0079 -0.0417 2649 ASN 105 CG 0.0638 0.0004 -0.0587 2650 ASN 105 OD1 0.0835 0.0054 -0.0688 2651 ASN 105 ND2 0.0487 -0.0116 -0.0625 2652 ASN 105 H 0.0211 0.0081 -0.0105 2653 ASN 105 HA 0.0282 -0.0166 -0.0518 2654 ASN 105 HB3 0.0677 0.0105 -0.0478 2655 ASN 105 HB2 0.0601 0.0203 -0.0272 2656 ASN 105 HD22 0.0540 -0.0156 -0.0728 2657 ASN 105 HD21 0.0325 -0.0151 -0.0535 2658 VAL 106 N 0.0070 0.0113 -0.0003 2659 VAL 106 CA 0.0056 0.0106 0.0016 2660 VAL 106 C 0.0074 0.0104 0.0031 2661 VAL 106 O 0.0083 0.0108 0.0022 2662 VAL 106 CB 0.0035 0.0106 0.0006 2663 VAL 106 CG1 0.0020 0.0099 0.0026 2664 VAL 106 CG2 0.0017 0.0108 -0.0011 2665 VAL 106 H 0.0071 0.0117 -0.0018 2666 VAL 106 HA 0.0049 0.0102 0.0027 2667 VAL 106 HB 0.0042 0.0110 -0.0004 2668 VAL 106 HG11 0.0004 0.0099 0.0019 2669 VAL 106 HG12 0.0030 0.0097 0.0037 2670 VAL 106 HG13 0.0013 0.0095 0.0039 2671 VAL 106 HG21 0.0003 0.0109 -0.0018 2672 VAL 106 HG22 0.0008 0.0105 -0.0001 2673 VAL 106 HG23 0.0027 0.0113 -0.0025 2674 ASP 107 N 0.0076 0.0098 0.0054 2675 ASP 107 CA 0.0087 0.0095 0.0073 2676 ASP 107 C 0.0067 0.0090 0.0082 2677 ASP 107 O 0.0048 0.0085 0.0090 2678 ASP 107 CB 0.0100 0.0091 0.0094 2679 ASP 107 CG 0.0110 0.0086 0.0114 2680 ASP 107 OD1 0.0117 0.0089 0.0109 2681 ASP 107 OD2 0.0113 0.0081 0.0134 2682 ASP 107 H 0.0067 0.0095 0.0061 2683 ASP 107 HA 0.0101 0.0098 0.0064 2684 ASP 107 HB3 0.0087 0.0087 0.0101 2685 ASP 107 HB2 0.0115 0.0094 0.0087 2686 TYR 108 N -0.0031 0.0028 0.0111 2687 TYR 108 CA -0.0051 0.0022 0.0118 2688 TYR 108 C -0.0055 -0.0005 0.0120 2689 TYR 108 O -0.0069 -0.0011 0.0125 2690 TYR 108 CB -0.0072 0.0035 0.0127 2691 TYR 108 CG -0.0071 0.0063 0.0127 2692 TYR 108 CD1 -0.0079 0.0075 0.0130 2693 TYR 108 CD2 -0.0062 0.0077 0.0123 2694 TYR 108 CE1 -0.0078 0.0101 0.0130 2695 TYR 108 CE2 -0.0061 0.0103 0.0123 2696 TYR 108 CZ -0.0069 0.0115 0.0126 2697 TYR 108 OH -0.0067 0.0140 0.0126 2698 TYR 108 H -0.0033 0.0025 0.0111 2699 TYR 108 HA -0.0048 0.0030 0.0117 2700 TYR 108 HB3 -0.0087 0.0029 0.0133 2701 TYR 108 HB2 -0.0075 0.0030 0.0128 2702 TYR 108 HD1 -0.0086 0.0064 0.0133 2703 TYR 108 HD2 -0.0056 0.0069 0.0121 2704 TYR 108 HE1 -0.0084 0.0109 0.0133 2705 TYR 108 HE2 -0.0053 0.0114 0.0120 2706 TYR 108 HH -0.0076 0.0146 0.0130 2707 HIS 109 N -0.0042 -0.0022 0.0114 2708 HIS 109 CA -0.0044 -0.0048 0.0115 2709 HIS 109 C -0.0032 -0.0056 0.0110 2710 HIS 109 O -0.0039 -0.0075 0.0113 2711 HIS 109 CB -0.0033 -0.0063 0.0111 2712 HIS 109 CG -0.0044 -0.0057 0.0115 2713 HIS 109 ND1 -0.0035 -0.0041 0.0111 2714 HIS 109 CD2 -0.0064 -0.0066 0.0122 2715 HIS 109 CE1 -0.0048 -0.0040 0.0117 2716 HIS 109 NE2 -0.0066 -0.0055 0.0124 2717 HIS 109 H -0.0030 -0.0016 0.0110 2718 HIS 109 HA -0.0062 -0.0053 0.0122 2719 HIS 109 HB3 -0.0035 -0.0083 0.0111 2720 HIS 109 HB2 -0.0015 -0.0060 0.0103 2721 HIS 109 HD1 -0.0020 -0.0030 0.0106 2722 HIS 109 HD2 -0.0076 -0.0080 0.0127 2723 HIS 109 HE1 -0.0045 -0.0028 0.0116 2724 MET 110 N -0.0036 -0.0016 0.0092 2725 MET 110 CA -0.0028 -0.0014 0.0087 2726 MET 110 C -0.0023 -0.0008 0.0093 2727 MET 110 O -0.0026 -0.0005 0.0100 2728 MET 110 CB -0.0023 -0.0014 0.0083 2729 MET 110 CG -0.0028 -0.0020 0.0078 2730 MET 110 SD -0.0028 -0.0026 0.0068 2731 MET 110 CE -0.0017 -0.0023 0.0062 2732 MET 110 H -0.0036 -0.0014 0.0096 2733 MET 110 HA -0.0028 -0.0017 0.0082 2734 MET 110 HB3 -0.0017 -0.0012 0.0080 2735 MET 110 HB2 -0.0023 -0.0010 0.0088 2736 MET 110 HG3 -0.0025 -0.0019 0.0076 2737 MET 110 HG2 -0.0034 -0.0022 0.0081 2738 MET 110 HE1 -0.0016 -0.0026 0.0056 2739 MET 110 HE2 -0.0016 -0.0022 0.0061 2740 MET 110 HE3 -0.0013 -0.0018 0.0065 2741 ASN 111 N -0.0016 -0.0006 0.0088 2742 ASN 111 CA -0.0011 -0.0000 0.0093 2743 ASN 111 C -0.0002 0.0004 0.0090 2744 ASN 111 O 0.0002 0.0001 0.0082 2745 ASN 111 CB -0.0012 -0.0002 0.0091 2746 ASN 111 CG -0.0020 -0.0005 0.0094 2747 ASN 111 OD1 -0.0021 -0.0007 0.0092 2748 ASN 111 ND2 -0.0026 -0.0006 0.0099 2749 ASN 111 H -0.0014 -0.0009 0.0082 2750 ASN 111 HA -0.0013 0.0002 0.0100 2751 ASN 111 HB3 -0.0007 0.0002 0.0093 2752 ASN 111 HB2 -0.0010 -0.0005 0.0084 2753 ASN 111 HD22 -0.0032 -0.0008 0.0102 2754 ASN 111 HD21 -0.0026 -0.0005 0.0101 2755 SER 112 N 0.0008 -0.0009 0.0086 2756 SER 112 CA 0.0019 -0.0005 0.0085 2757 SER 112 C 0.0032 0.0001 0.0081 2758 SER 112 O 0.0036 0.0001 0.0088 2759 SER 112 CB 0.0022 -0.0007 0.0099 2760 SER 112 OG 0.0012 -0.0012 0.0102 2761 SER 112 H 0.0008 -0.0012 0.0095 2762 SER 112 HA 0.0016 -0.0004 0.0077 2763 SER 112 HB3 0.0032 -0.0004 0.0099 2764 SER 112 HB2 0.0023 -0.0009 0.0107 2765 SER 112 HG 0.0005 -0.0015 0.0107 2766 VAL 113 N 0.0037 0.0006 0.0069 2767 VAL 113 CA 0.0050 0.0011 0.0064 2768 VAL 113 C 0.0060 0.0016 0.0061 2769 VAL 113 O 0.0056 0.0015 0.0056 2770 VAL 113 CB 0.0046 0.0013 0.0051 2771 VAL 113 CG1 0.0038 0.0009 0.0054 2772 VAL 113 CG2 0.0039 0.0013 0.0038 2773 VAL 113 H 0.0033 0.0005 0.0063 2774 VAL 113 HA 0.0054 0.0011 0.0073 2775 VAL 113 HB 0.0056 0.0018 0.0048 2776 VAL 113 HG11 0.0037 0.0011 0.0045 2777 VAL 113 HG12 0.0044 0.0009 0.0063 2778 VAL 113 HG13 0.0028 0.0005 0.0058 2779 VAL 113 HG21 0.0037 0.0014 0.0030 2780 VAL 113 HG22 0.0030 0.0009 0.0041 2781 VAL 113 HG23 0.0046 0.0017 0.0035 2782 PRO 114 N 0.0047 0.0002 0.0041 2783 PRO 114 CA 0.0055 0.0007 0.0038 2784 PRO 114 C 0.0057 0.0008 0.0027 2785 PRO 114 O 0.0056 0.0007 0.0024 2786 PRO 114 CB 0.0061 0.0011 0.0045 2787 PRO 114 CG 0.0057 0.0009 0.0048 2788 PRO 114 CD 0.0048 0.0003 0.0048 2789 PRO 114 HA 0.0055 0.0007 0.0040 2790 PRO 114 HB3 0.0062 0.0012 0.0052 2791 PRO 114 HB2 0.0067 0.0015 0.0042 2792 PRO 114 HG3 0.0059 0.0010 0.0054 2793 PRO 114 HG2 0.0058 0.0009 0.0042 2794 PRO 114 HD2 0.0044 0.0001 0.0046 2795 PRO 114 HD3 0.0045 0.0002 0.0055 2796 ILE 115 N 0.0060 0.0009 0.0022 2797 ILE 115 CA 0.0064 0.0011 0.0012 2798 ILE 115 C 0.0073 0.0017 0.0014 2799 ILE 115 O 0.0078 0.0020 0.0017 2800 ILE 115 CB 0.0063 0.0010 0.0006 2801 ILE 115 CG1 0.0054 0.0004 0.0005 2802 ILE 115 CG2 0.0067 0.0012 -0.0004 2803 ILE 115 CD1 0.0052 0.0003 0.0001 2804 ILE 115 H 0.0061 0.0010 0.0026 2805 ILE 115 HA 0.0061 0.0009 0.0008 2806 ILE 115 HB 0.0066 0.0012 0.0010 2807 ILE 115 HG13 0.0051 0.0003 0.0013 2808 ILE 115 HG12 0.0050 0.0002 0.0001 2809 ILE 115 HG21 0.0067 0.0011 -0.0009 2810 ILE 115 HG22 0.0074 0.0016 -0.0004 2811 ILE 115 HG23 0.0064 0.0010 -0.0008 2812 ILE 115 HD11 0.0048 0.0000 -0.0006 2813 ILE 115 HD12 0.0049 0.0002 0.0006 2814 ILE 115 HD13 0.0058 0.0007 -0.0002 2815 GLN 116 N 0.0049 0.0000 0.0005 2816 GLN 116 CA 0.0047 -0.0002 0.0005 2817 GLN 116 C 0.0050 -0.0006 0.0006 2818 GLN 116 O 0.0050 -0.0010 0.0006 2819 GLN 116 CB 0.0042 -0.0003 0.0003 2820 GLN 116 CG 0.0039 0.0002 0.0002 2821 GLN 116 CD 0.0034 0.0001 0.0000 2822 GLN 116 OE1 0.0032 0.0003 -0.0000 2823 GLN 116 NE2 0.0031 -0.0002 -0.0000 2824 GLN 116 H 0.0047 -0.0001 0.0005 2825 GLN 116 HA 0.0048 0.0001 0.0005 2826 GLN 116 HB3 0.0041 -0.0004 0.0003 2827 GLN 116 HB2 0.0041 -0.0006 0.0003 2828 GLN 116 HG3 0.0039 0.0003 0.0002 2829 GLN 116 HG2 0.0040 0.0005 0.0002 2830 GLN 116 HE22 0.0028 -0.0002 -0.0001 2831 GLN 116 HE21 0.0033 -0.0003 0.0000 2832 GLN 117 N 0.0052 -0.0006 0.0007 2833 GLN 117 CA 0.0054 -0.0011 0.0008 2834 GLN 117 CA 0.0054 -0.0011 0.0008 2835 GLN 117 C 0.0050 -0.0013 0.0007 2836 GLN 117 O 0.0048 -0.0011 0.0006 2837 GLN 117 CB 0.0058 -0.0009 0.0009 2838 GLN 117 CB 0.0058 -0.0010 0.0009 2839 GLN 117 CG 0.0062 -0.0013 0.0010 2840 GLN 117 CG 0.0061 -0.0014 0.0010 2841 GLN 117 CD 0.0066 -0.0011 0.0012 2842 GLN 117 CD 0.0062 -0.0018 0.0011 2843 GLN 117 OE1 0.0065 -0.0007 0.0011 2844 GLN 117 OE1 0.0064 -0.0018 0.0012 2845 GLN 117 NE2 0.0070 -0.0014 0.0013 2846 GLN 117 NE2 0.0061 -0.0023 0.0011 2847 GLN 117 H 0.0051 -0.0004 0.0006 2848 GLN 117 HA 0.0055 -0.0013 0.0008 2849 GLN 117 HA 0.0054 -0.0014 0.0008 2850 GLN 117 HB3 0.0057 -0.0007 0.0009 2851 GLN 117 HB3 0.0058 -0.0007 0.0009 2852 GLN 117 HB2 0.0060 -0.0006 0.0009 2853 GLN 117 HB2 0.0060 -0.0008 0.0010 2854 GLN 117 HG3 0.0063 -0.0014 0.0011 2855 GLN 117 HG3 0.0059 -0.0015 0.0010 2856 GLN 117 HG2 0.0060 -0.0016 0.0010 2857 GLN 117 HG2 0.0064 -0.0012 0.0011 2858 GLN 117 HE22 0.0072 -0.0012 0.0014 2859 GLN 117 HE22 0.0062 -0.0026 0.0011 2860 GLN 117 HE21 0.0070 -0.0017 0.0013 2861 GLN 117 HE21 0.0060 -0.0023 0.0010 2862 GLU 118 N 0.0022 -0.0007 0.0015 2863 GLU 118 CA 0.0021 -0.0009 0.0014 2864 GLU 118 C 0.0020 -0.0011 0.0016 2865 GLU 118 O 0.0021 -0.0011 0.0018 2866 GLU 118 CB 0.0021 -0.0010 0.0015 2867 GLU 118 CG 0.0021 -0.0008 0.0013 2868 GLU 118 CD 0.0021 -0.0009 0.0013 2869 GLU 118 OE1 0.0021 -0.0010 0.0015 2870 GLU 118 OE2 0.0021 -0.0009 0.0012 2871 GLU 118 H 0.0022 -0.0006 0.0016 2872 GLU 118 HA 0.0021 -0.0009 0.0012 2873 GLU 118 HB3 0.0020 -0.0011 0.0015 2874 GLU 118 HB2 0.0021 -0.0009 0.0017 2875 GLU 118 HG3 0.0022 -0.0007 0.0014 2876 GLU 118 HG2 0.0021 -0.0009 0.0011 2877 ILE 119 N 0.0020 -0.0012 0.0015 2878 ILE 119 CA 0.0019 -0.0014 0.0016 2879 ILE 119 C 0.0018 -0.0016 0.0015 2880 ILE 119 O 0.0018 -0.0016 0.0013 2881 ILE 119 CB 0.0019 -0.0014 0.0016 2882 ILE 119 CG1 0.0019 -0.0014 0.0013 2883 ILE 119 CG2 0.0020 -0.0012 0.0017 2884 ILE 119 CD1 0.0019 -0.0015 0.0014 2885 ILE 119 H 0.0020 -0.0012 0.0013 2886 ILE 119 HA 0.0019 -0.0014 0.0018 2887 ILE 119 HB 0.0019 -0.0015 0.0017 2888 ILE 119 HG13 0.0018 -0.0016 0.0013 2889 ILE 119 HG12 0.0019 -0.0013 0.0012 2890 ILE 119 HG21 0.0020 -0.0012 0.0017 2891 ILE 119 HG22 0.0020 -0.0011 0.0019 2892 ILE 119 HG23 0.0021 -0.0010 0.0016 2893 ILE 119 HD11 0.0018 -0.0015 0.0012 2894 ILE 119 HD12 0.0018 -0.0016 0.0015 2895 ILE 119 HD13 0.0019 -0.0013 0.0014 2896 LEU 120 N -0.0039 0.0021 0.0010 2897 LEU 120 CA -0.0035 0.0019 0.0009 2898 LEU 120 C -0.0035 0.0011 0.0011 2899 LEU 120 O -0.0040 0.0008 0.0013 2900 LEU 120 CB -0.0038 0.0023 0.0009 2901 LEU 120 CG -0.0037 0.0031 0.0007 2902 LEU 120 CD1 -0.0041 0.0034 0.0007 2903 LEU 120 CD2 -0.0030 0.0033 0.0004 2904 LEU 120 H -0.0044 0.0021 0.0011 2905 LEU 120 HA -0.0030 0.0020 0.0007 2906 LEU 120 HB3 -0.0035 0.0021 0.0008 2907 LEU 120 HB2 -0.0043 0.0022 0.0011 2908 LEU 120 HG -0.0040 0.0033 0.0007 2909 LEU 120 HD11 -0.0045 0.0039 0.0007 2910 LEU 120 HD12 -0.0044 0.0031 0.0009 2911 LEU 120 HD13 -0.0037 0.0037 0.0005 2912 LEU 120 HD21 -0.0029 0.0038 0.0002 2913 LEU 120 HD22 -0.0026 0.0029 0.0003 2914 LEU 120 HD23 -0.0029 0.0034 0.0003 2915 VAL 121 N -0.0029 0.0007 0.0010 2916 VAL 121 CA -0.0029 0.0000 0.0012 2917 VAL 121 C -0.0025 -0.0000 0.0011 2918 VAL 121 O -0.0021 0.0004 0.0008 2919 VAL 121 CB -0.0026 -0.0005 0.0012 2920 VAL 121 CG1 -0.0030 -0.0005 0.0014 2921 VAL 121 CG2 -0.0018 -0.0004 0.0009 2922 VAL 121 H -0.0025 0.0010 0.0008 2923 VAL 121 HA -0.0034 -0.0001 0.0014 2924 VAL 121 HB -0.0026 -0.0010 0.0013 2925 VAL 121 HG11 -0.0028 -0.0009 0.0014 2926 VAL 121 HG12 -0.0036 -0.0006 0.0016 2927 VAL 121 HG13 -0.0031 -0.0000 0.0012 2928 VAL 121 HG21 -0.0016 -0.0007 0.0010 2929 VAL 121 HG22 -0.0018 0.0002 0.0008 2930 VAL 121 HG23 -0.0015 -0.0004 0.0008 2931 LEU 122 N -0.0041 0.0007 0.0015 2932 LEU 122 CA -0.0043 0.0001 0.0013 2933 LEU 122 C -0.0036 -0.0007 0.0005 2934 LEU 122 O -0.0037 -0.0013 0.0002 2935 LEU 122 CB -0.0053 -0.0006 0.0018 2936 LEU 122 CG -0.0060 0.0001 0.0027 2937 LEU 122 CD1 -0.0070 -0.0007 0.0031 2938 LEU 122 CD2 -0.0059 0.0008 0.0029 2939 LEU 122 H -0.0045 0.0003 0.0016 2940 LEU 122 HA -0.0041 0.0006 0.0014 2941 LEU 122 HB3 -0.0054 -0.0011 0.0016 2942 LEU 122 HB2 -0.0054 -0.0011 0.0017 2943 LEU 122 HG -0.0059 0.0006 0.0028 2944 LEU 122 HD11 -0.0075 -0.0003 0.0036 2945 LEU 122 HD12 -0.0071 -0.0014 0.0028 2946 LEU 122 HD13 -0.0073 -0.0009 0.0032 2947 LEU 122 HD21 -0.0065 0.0011 0.0035 2948 LEU 122 HD22 -0.0058 0.0003 0.0026 2949 LEU 122 HD23 -0.0053 0.0014 0.0027 2950 ARG 123 N -0.0030 -0.0006 0.0000 2951 ARG 123 CA -0.0025 -0.0014 -0.0008 2952 ARG 123 C -0.0029 -0.0020 -0.0007 2953 ARG 123 O -0.0031 -0.0016 -0.0003 2954 ARG 123 CB -0.0014 -0.0008 -0.0013 2955 ARG 123 CG -0.0008 -0.0017 -0.0021 2956 ARG 123 CD 0.0002 -0.0013 -0.0028 2957 ARG 123 NE 0.0004 -0.0009 -0.0028 2958 ARG 123 CZ 0.0003 -0.0014 -0.0029 2959 ARG 123 NH1 0.0000 -0.0025 -0.0032 2960 ARG 123 NH2 0.0005 -0.0008 -0.0028 2961 ARG 123 H -0.0030 -0.0000 0.0003 2962 ARG 123 HA -0.0025 -0.0019 -0.0010 2963 ARG 123 HB3 -0.0013 -0.0003 -0.0011 2964 ARG 123 HB2 -0.0012 -0.0004 -0.0013 2965 ARG 123 HG3 -0.0011 -0.0024 -0.0023 2966 ARG 123 HG2 -0.0009 -0.0018 -0.0022 2967 ARG 123 HD3 0.0005 -0.0020 -0.0033 2968 ARG 123 HD2 0.0006 -0.0007 -0.0028 2969 ARG 123 HH22 0.0005 -0.0013 -0.0030 2970 ARG 123 HH21 0.0008 -0.0000 -0.0026 2971 ARG 123 HH12 -0.0000 -0.0029 -0.0033 2972 ARG 123 HH11 -0.0002 -0.0030 -0.0032 2973 ARG 123 HE 0.0006 -0.0001 -0.0025 2974 ARG 124 N -0.0070 -0.0019 -0.0024 2975 ARG 124 CA -0.0075 -0.0029 -0.0026 2976 ARG 124 C -0.0071 -0.0027 -0.0030 2977 ARG 124 O -0.0064 -0.0024 -0.0038 2978 ARG 124 CB -0.0076 -0.0038 -0.0033 2979 ARG 124 CG -0.0081 -0.0040 -0.0029 2980 ARG 124 CD -0.0082 -0.0050 -0.0036 2981 ARG 124 NE -0.0084 -0.0051 -0.0033 2982 ARG 124 CZ -0.0091 -0.0053 -0.0024 2983 ARG 124 NH1 -0.0098 -0.0056 -0.0017 2984 ARG 124 NH2 -0.0092 -0.0052 -0.0022 2985 ARG 124 H -0.0067 -0.0020 -0.0029 2986 ARG 124 HA -0.0081 -0.0030 -0.0018 2987 ARG 124 HB3 -0.0080 -0.0046 -0.0034 2988 ARG 124 HB2 -0.0070 -0.0037 -0.0041 2989 ARG 124 HG3 -0.0078 -0.0033 -0.0027 2990 ARG 124 HG2 -0.0087 -0.0042 -0.0021 2991 ARG 124 HD3 -0.0087 -0.0058 -0.0035 2992 ARG 124 HD2 -0.0076 -0.0051 -0.0044 2993 ARG 124 HH22 -0.0097 -0.0053 -0.0016 2994 ARG 124 HH21 -0.0087 -0.0050 -0.0027 2995 ARG 124 HH12 -0.0103 -0.0057 -0.0011 2996 ARG 124 HH11 -0.0097 -0.0057 -0.0019 2997 ARG 124 HE -0.0080 -0.0049 -0.0038 2998 GLU 125 N -0.0076 -0.0029 -0.0025 2999 GLU 125 CA -0.0074 -0.0029 -0.0028 3000 GLU 125 C -0.0081 -0.0039 -0.0026 3001 GLU 125 O -0.0088 -0.0038 -0.0017 3002 GLU 125 CB -0.0071 -0.0018 -0.0022 3003 GLU 125 CG -0.0069 -0.0018 -0.0025 3004 GLU 125 CD -0.0065 -0.0006 -0.0020 3005 GLU 125 OE1 -0.0058 0.0001 -0.0024 3006 GLU 125 OE2 -0.0069 -0.0005 -0.0013 3007 GLU 125 H -0.0082 -0.0032 -0.0019 3008 GLU 125 HA -0.0069 -0.0030 -0.0036 3009 GLU 125 HB3 -0.0076 -0.0016 -0.0014 3010 GLU 125 HB2 -0.0066 -0.0012 -0.0025 3011 GLU 125 HG3 -0.0065 -0.0020 -0.0033 3012 GLU 125 HG2 -0.0075 -0.0023 -0.0021 3013 PRO 126 N -0.0146 -0.0067 -0.0048 3014 PRO 126 CA -0.0139 -0.0068 -0.0062 3015 PRO 126 C -0.0133 -0.0069 -0.0074 3016 PRO 126 O -0.0138 -0.0071 -0.0072 3017 PRO 126 CB -0.0150 -0.0076 -0.0067 3018 PRO 126 CG -0.0164 -0.0081 -0.0061 3019 PRO 126 CD -0.0162 -0.0074 -0.0046 3020 PRO 126 HA -0.0130 -0.0062 -0.0060 3021 PRO 126 HB3 -0.0149 -0.0074 -0.0063 3022 PRO 126 HB2 -0.0149 -0.0080 -0.0079 3023 PRO 126 HG3 -0.0173 -0.0085 -0.0060 3024 PRO 126 HG2 -0.0167 -0.0084 -0.0068 3025 PRO 126 HD2 -0.0168 -0.0076 -0.0042 3026 PRO 126 HD3 -0.0164 -0.0071 -0.0037 3027 PRO 127 N -0.0124 -0.0069 -0.0086 3028 PRO 127 CA -0.0119 -0.0072 -0.0099 3029 PRO 127 C -0.0132 -0.0080 -0.0105 3030 PRO 127 O -0.0143 -0.0086 -0.0105 3031 PRO 127 CB -0.0112 -0.0072 -0.0111 3032 PRO 127 CG -0.0106 -0.0066 -0.0102 3033 PRO 127 CD -0.0118 -0.0067 -0.0089 3034 PRO 127 HA -0.0112 -0.0067 -0.0096 3035 PRO 127 HB3 -0.0103 -0.0071 -0.0119 3036 PRO 127 HB2 -0.0119 -0.0079 -0.0118 3037 PRO 127 HG3 -0.0096 -0.0060 -0.0098 3038 PRO 127 HG2 -0.0104 -0.0067 -0.0109 3039 PRO 127 HD2 -0.0126 -0.0072 -0.0092 3040 PRO 127 HD3 -0.0114 -0.0061 -0.0079 3041 HIS 128 N -0.0123 -0.0061 -0.0072 3042 HIS 128 CA -0.0130 -0.0062 -0.0082 3043 HIS 128 C -0.0139 -0.0061 -0.0078 3044 HIS 128 O -0.0145 -0.0061 -0.0086 3045 HIS 128 CB -0.0136 -0.0062 -0.0091 3046 HIS 128 CG -0.0129 -0.0063 -0.0095 3047 HIS 128 ND1 -0.0116 -0.0064 -0.0098 3048 HIS 128 CD2 -0.0132 -0.0063 -0.0096 3049 HIS 128 CE1 -0.0113 -0.0065 -0.0100 3050 HIS 128 NE2 -0.0122 -0.0064 -0.0099 3051 HIS 128 H -0.0113 -0.0062 -0.0073 3052 HIS 128 HA -0.0123 -0.0063 -0.0088 3053 HIS 128 HB3 -0.0139 -0.0063 -0.0100 3054 HIS 128 HB2 -0.0145 -0.0061 -0.0087 3055 HIS 128 HD1 -0.0110 -0.0065 -0.0098 3056 HIS 128 HD2 -0.0141 -0.0062 -0.0094 3057 HIS 128 HE1 -0.0103 -0.0066 -0.0103 3058 SER 129 N -0.0140 -0.0059 -0.0065 3059 SER 129 CA -0.0148 -0.0058 -0.0060 3060 SER 129 C -0.0144 -0.0059 -0.0065 3061 SER 129 O -0.0133 -0.0060 -0.0063 3062 SER 129 CB -0.0147 -0.0057 -0.0046 3063 SER 129 OG -0.0155 -0.0056 -0.0041 3064 SER 129 H -0.0135 -0.0059 -0.0059 3065 SER 129 HA -0.0157 -0.0058 -0.0063 3066 SER 129 HB3 -0.0137 -0.0057 -0.0042 3067 SER 129 HB2 -0.0150 -0.0056 -0.0042 3068 SER 129 HG -0.0155 -0.0055 -0.0031 3069 PRO 130 N -0.0132 0.0017 -0.0088 3070 PRO 130 CA -0.0107 0.0028 -0.0066 3071 PRO 130 C -0.0091 0.0015 -0.0044 3072 PRO 130 O -0.0071 0.0032 -0.0031 3073 PRO 130 CB -0.0104 0.0017 -0.0059 3074 PRO 130 CG -0.0129 0.0013 -0.0083 3075 PRO 130 CD -0.0145 0.0002 -0.0095 3076 PRO 130 HA -0.0102 0.0054 -0.0071 3077 PRO 130 HB3 -0.0091 0.0033 -0.0051 3078 PRO 130 HB2 -0.0100 -0.0006 -0.0046 3079 PRO 130 HG3 -0.0131 0.0036 -0.0093 3080 PRO 130 HG2 -0.0132 -0.0003 -0.0080 3081 PRO 130 HD2 -0.0149 -0.0024 -0.0089 3082 PRO 130 HD3 -0.0162 0.0008 -0.0115 3083 ASN 131 N -0.0099 -0.0015 -0.0041 3084 ASN 131 CA -0.0084 -0.0034 -0.0018 3085 ASN 131 C -0.0092 -0.0052 -0.0019 3086 ASN 131 O -0.0081 -0.0072 -0.0001 3087 ASN 131 CB -0.0080 -0.0057 -0.0006 3088 ASN 131 CG -0.0102 -0.0084 -0.0018 3089 ASN 131 OD1 -0.0122 -0.0081 -0.0040 3090 ASN 131 ND2 -0.0099 -0.0110 -0.0005 3091 ASN 131 H -0.0116 -0.0027 -0.0054 3092 ASN 131 HA -0.0066 -0.0019 -0.0006 3093 ASN 131 HB3 -0.0074 -0.0044 -0.0005 3094 ASN 131 HB2 -0.0066 -0.0068 0.0013 3095 ASN 131 HD22 -0.0114 -0.0127 -0.0013 3096 ASN 131 HD21 -0.0083 -0.0113 0.0013 3097 SER 132 N -0.0084 -0.0047 0.0004 3098 SER 132 CA -0.0085 -0.0047 0.0002 3099 SER 132 C -0.0083 -0.0034 -0.0004 3100 SER 132 O -0.0085 -0.0030 -0.0014 3101 SER 132 CB -0.0090 -0.0058 -0.0004 3102 SER 132 OG -0.0094 -0.0058 -0.0017 3103 SER 132 H -0.0085 -0.0043 -0.0003 3104 SER 132 HA -0.0082 -0.0048 0.0011 3105 SER 132 HB3 -0.0091 -0.0067 0.0001 3106 SER 132 HB2 -0.0090 -0.0059 -0.0005 3107 SER 132 HG -0.0094 -0.0053 -0.0022 3108 PHE 133 N -0.0080 -0.0028 0.0001 3109 PHE 133 CA -0.0078 -0.0016 -0.0003 3110 PHE 133 C -0.0078 -0.0016 -0.0004 3111 PHE 133 O -0.0078 -0.0024 0.0003 3112 PHE 133 CB -0.0072 -0.0007 0.0006 3113 PHE 133 CG -0.0071 -0.0006 0.0008 3114 PHE 133 CD1 -0.0071 -0.0014 0.0016 3115 PHE 133 CD2 -0.0071 0.0003 0.0001 3116 PHE 133 CE1 -0.0071 -0.0014 0.0017 3117 PHE 133 CE2 -0.0070 0.0004 0.0003 3118 PHE 133 CZ -0.0070 -0.0004 0.0011 3119 PHE 133 H -0.0078 -0.0032 0.0009 3120 PHE 133 HA -0.0080 -0.0013 -0.0012 3121 PHE 133 HB3 -0.0070 0.0002 0.0003 3122 PHE 133 HB2 -0.0070 -0.0010 0.0015 3123 PHE 133 HD1 -0.0072 -0.0022 0.0021 3124 PHE 133 HD2 -0.0071 0.0010 -0.0005 3125 PHE 133 HE1 -0.0071 -0.0020 0.0023 3126 PHE 133 HE2 -0.0069 0.0012 -0.0002 3127 PHE 133 HZ -0.0070 -0.0004 0.0012 3128 ARG 134 N -0.0038 0.0001 -0.0016 3129 ARG 134 CA -0.0039 0.0009 -0.0019 3130 ARG 134 C -0.0044 0.0014 -0.0016 3131 ARG 134 O -0.0044 0.0011 -0.0014 3132 ARG 134 CB -0.0033 0.0011 -0.0026 3133 ARG 134 CG -0.0034 0.0020 -0.0030 3134 ARG 134 CD -0.0028 0.0022 -0.0036 3135 ARG 134 NE -0.0023 0.0018 -0.0040 3136 ARG 134 CZ -0.0020 0.0021 -0.0045 3137 ARG 134 NH1 -0.0022 0.0028 -0.0046 3138 ARG 134 NH2 -0.0015 0.0016 -0.0047 3139 ARG 134 H -0.0037 -0.0001 -0.0015 3140 ARG 134 HA -0.0041 0.0011 -0.0018 3141 ARG 134 HB3 -0.0032 0.0010 -0.0027 3142 ARG 134 HB2 -0.0030 0.0007 -0.0028 3143 ARG 134 HG3 -0.0034 0.0020 -0.0030 3144 ARG 134 HG2 -0.0038 0.0024 -0.0028 3145 ARG 134 HD3 -0.0029 0.0028 -0.0039 3146 ARG 134 HD2 -0.0027 0.0020 -0.0037 3147 ARG 134 HH22 -0.0011 0.0017 -0.0052 3148 ARG 134 HH21 -0.0014 0.0010 -0.0046 3149 ARG 134 HH12 -0.0020 0.0030 -0.0050 3150 ARG 134 HH11 -0.0026 0.0031 -0.0043 3151 ARG 134 HE -0.0021 0.0012 -0.0039 3152 LEU 135 N -0.0047 0.0021 -0.0016 3153 LEU 135 CA -0.0051 0.0027 -0.0014 3154 LEU 135 C -0.0048 0.0030 -0.0020 3155 LEU 135 O -0.0044 0.0033 -0.0025 3156 LEU 135 CB -0.0055 0.0033 -0.0014 3157 LEU 135 CG -0.0060 0.0032 -0.0007 3158 LEU 135 CD1 -0.0063 0.0038 -0.0008 3159 LEU 135 CD2 -0.0065 0.0031 -0.0002 3160 LEU 135 H -0.0047 0.0023 -0.0017 3161 LEU 135 HA -0.0054 0.0024 -0.0010 3162 LEU 135 HB3 -0.0058 0.0038 -0.0014 3163 LEU 135 HB2 -0.0053 0.0036 -0.0018 3164 LEU 135 HG -0.0058 0.0026 -0.0007 3165 LEU 135 HD11 -0.0066 0.0036 -0.0004 3166 LEU 135 HD12 -0.0060 0.0040 -0.0012 3167 LEU 135 HD13 -0.0066 0.0043 -0.0007 3168 LEU 135 HD21 -0.0067 0.0026 0.0002 3169 LEU 135 HD22 -0.0069 0.0036 -0.0000 3170 LEU 135 HD23 -0.0064 0.0029 -0.0003 3171 GLU 136 N -0.0026 0.0005 -0.0018 3172 GLU 136 CA -0.0020 0.0004 -0.0017 3173 GLU 136 CA -0.0021 0.0005 -0.0017 3174 GLU 136 C -0.0019 0.0004 -0.0017 3175 GLU 136 O -0.0022 0.0001 -0.0020 3176 GLU 136 CB -0.0017 0.0000 -0.0019 3177 GLU 136 CB -0.0020 0.0000 -0.0020 3178 GLU 136 CG -0.0017 0.0001 -0.0019 3179 GLU 136 CG -0.0014 -0.0003 -0.0020 3180 GLU 136 CD -0.0013 -0.0003 -0.0020 3181 GLU 136 CD -0.0013 -0.0007 -0.0024 3182 GLU 136 OE1 -0.0012 -0.0007 -0.0023 3183 GLU 136 OE1 -0.0013 -0.0006 -0.0023 3184 GLU 136 OE2 -0.0012 -0.0001 -0.0019 3185 GLU 136 OE2 -0.0013 -0.0011 -0.0027 3186 GLU 136 H -0.0029 0.0003 -0.0020 3187 GLU 136 HA -0.0018 0.0007 -0.0014 3188 GLU 136 HA -0.0018 0.0007 -0.0014 3189 GLU 136 HB3 -0.0013 -0.0001 -0.0019 3190 GLU 136 HB3 -0.0022 -0.0002 -0.0023 3191 GLU 136 HB2 -0.0019 -0.0003 -0.0022 3192 GLU 136 HB2 -0.0022 0.0001 -0.0020 3193 GLU 136 HG3 -0.0022 0.0001 -0.0020 3194 GLU 136 HG3 -0.0011 -0.0000 -0.0018 3195 GLU 136 HG2 -0.0016 0.0004 -0.0015 3196 GLU 136 HG2 -0.0012 -0.0004 -0.0021 3197 LYS 137 N -0.0014 0.0005 -0.0014 3198 LYS 137 CA -0.0012 0.0004 -0.0015 3199 LYS 137 C -0.0007 -0.0000 -0.0017 3200 LYS 137 O -0.0003 -0.0000 -0.0015 3201 LYS 137 CB -0.0010 0.0008 -0.0010 3202 LYS 137 CG -0.0008 0.0007 -0.0011 3203 LYS 137 CD -0.0003 0.0010 -0.0007 3204 LYS 137 CE -0.0006 0.0015 -0.0004 3205 LYS 137 NZ -0.0002 0.0017 -0.0001 3206 LYS 137 H -0.0012 0.0007 -0.0012 3207 LYS 137 HA -0.0015 0.0003 -0.0016 3208 LYS 137 HB3 -0.0006 0.0009 -0.0009 3209 LYS 137 HB2 -0.0013 0.0011 -0.0009 3210 LYS 137 HG3 -0.0011 0.0007 -0.0012 3211 LYS 137 HG2 -0.0005 0.0003 -0.0013 3212 LYS 137 HD3 -0.0001 0.0008 -0.0008 3213 LYS 137 HD2 -0.0000 0.0010 -0.0006 3214 LYS 137 HE3 -0.0008 0.0017 -0.0002 3215 LYS 137 HE2 -0.0010 0.0015 -0.0005 3216 LYS 137 HZ1 -0.0001 0.0015 -0.0002 3217 LYS 137 HZ2 -0.0004 0.0020 0.0001 3218 LYS 137 HZ3 0.0002 0.0017 0.0000 3219 ILE 138 N 0.0005 -0.0014 -0.0000 3220 ILE 138 CA 0.0004 -0.0010 -0.0003 3221 ILE 138 C 0.0009 -0.0008 -0.0001 3222 ILE 138 O 0.0012 -0.0009 0.0002 3223 ILE 138 CB 0.0004 -0.0007 -0.0005 3224 ILE 138 CG1 0.0008 -0.0006 -0.0003 3225 ILE 138 CG2 -0.0001 -0.0008 -0.0007 3226 ILE 138 CD1 0.0008 -0.0002 -0.0006 3227 ILE 138 H 0.0008 -0.0014 0.0002 3228 ILE 138 HA 0.0002 -0.0010 -0.0004 3229 ILE 138 HB 0.0004 -0.0003 -0.0007 3230 ILE 138 HG13 0.0011 -0.0005 -0.0002 3231 ILE 138 HG12 0.0008 -0.0009 -0.0002 3232 ILE 138 HG21 -0.0001 -0.0006 -0.0009 3233 ILE 138 HG22 -0.0003 -0.0009 -0.0008 3234 ILE 138 HG23 -0.0001 -0.0011 -0.0005 3235 ILE 138 HD11 0.0011 -0.0000 -0.0005 3236 ILE 138 HD12 0.0006 0.0001 -0.0008 3237 ILE 138 HD13 0.0005 -0.0003 -0.0006 3238 LEU 139 N 0.0009 -0.0004 -0.0003 3239 LEU 139 CA 0.0013 -0.0001 -0.0003 3240 LEU 139 C 0.0014 0.0003 -0.0005 3241 LEU 139 O 0.0011 0.0004 -0.0007 3242 LEU 139 CB 0.0012 -0.0000 -0.0004 3243 LEU 139 CG 0.0011 -0.0004 -0.0002 3244 LEU 139 CD1 0.0009 -0.0003 -0.0004 3245 LEU 139 CD2 0.0016 -0.0004 0.0001 3246 LEU 139 H 0.0006 -0.0003 -0.0006 3247 LEU 139 HA 0.0015 -0.0003 -0.0000 3248 LEU 139 HB3 0.0014 0.0003 -0.0005 3249 LEU 139 HB2 0.0009 0.0001 -0.0007 3250 LEU 139 HG 0.0009 -0.0007 -0.0002 3251 LEU 139 HD11 0.0009 -0.0005 -0.0003 3252 LEU 139 HD12 0.0006 -0.0002 -0.0007 3253 LEU 139 HD13 0.0012 0.0000 -0.0005 3254 LEU 139 HD21 0.0016 -0.0006 0.0002 3255 LEU 139 HD22 0.0019 -0.0001 0.0001 3256 LEU 139 HD23 0.0017 -0.0007 0.0003 3257 VAL 140 N 0.0041 0.0011 0.0040 3258 VAL 140 CA 0.0042 0.0015 0.0040 3259 VAL 140 C 0.0045 0.0017 0.0041 3260 VAL 140 O 0.0047 0.0015 0.0043 3261 VAL 140 CB 0.0045 0.0014 0.0042 3262 VAL 140 CG1 0.0046 0.0018 0.0042 3263 VAL 140 CG2 0.0043 0.0012 0.0041 3264 VAL 140 H 0.0043 0.0010 0.0042 3265 VAL 140 HA 0.0040 0.0016 0.0039 3266 VAL 140 HB 0.0047 0.0013 0.0043 3267 VAL 140 HG11 0.0048 0.0018 0.0042 3268 VAL 140 HG12 0.0048 0.0019 0.0042 3269 VAL 140 HG13 0.0045 0.0020 0.0040 3270 VAL 140 HG21 0.0044 0.0012 0.0042 3271 VAL 140 HG22 0.0040 0.0014 0.0039 3272 VAL 140 HG23 0.0042 0.0010 0.0041 3273 SER 141 N 0.0044 0.0020 0.0040 3274 SER 141 CA 0.0046 0.0023 0.0040 3275 SER 141 CA 0.0046 0.0023 0.0040 3276 SER 141 C 0.0049 0.0024 0.0042 3277 SER 141 O 0.0049 0.0026 0.0041 3278 SER 141 CB 0.0044 0.0026 0.0039 3279 SER 141 CB 0.0044 0.0026 0.0039 3280 SER 141 OG 0.0046 0.0029 0.0039 3281 SER 141 OG 0.0041 0.0025 0.0037 3282 SER 141 H 0.0042 0.0021 0.0039 3283 SER 141 HA 0.0047 0.0021 0.0041 3284 SER 141 HA 0.0047 0.0021 0.0041 3285 SER 141 HB3 0.0043 0.0027 0.0038 3286 SER 141 HB3 0.0046 0.0027 0.0039 3287 SER 141 HB2 0.0042 0.0025 0.0038 3288 SER 141 HB2 0.0044 0.0028 0.0038 3289 SER 141 HG 0.0045 0.0031 0.0038 3290 SER 141 HG 0.0040 0.0027 0.0036 3291 VAL 142 N 0.0053 -0.0001 0.0015 3292 VAL 142 CA 0.0058 -0.0000 0.0020 3293 VAL 142 C 0.0052 0.0003 0.0025 3294 VAL 142 O 0.0055 0.0006 0.0032 3295 VAL 142 CB 0.0062 -0.0004 0.0014 3296 VAL 142 CG1 0.0070 -0.0007 0.0010 3297 VAL 142 CG2 0.0056 -0.0005 0.0008 3298 VAL 142 H 0.0050 -0.0003 0.0010 3299 VAL 142 HA 0.0063 0.0001 0.0025 3300 VAL 142 HB 0.0066 -0.0003 0.0018 3301 VAL 142 HG11 0.0073 -0.0009 0.0006 3302 VAL 142 HG12 0.0075 -0.0006 0.0015 3303 VAL 142 HG13 0.0067 -0.0008 0.0006 3304 VAL 142 HG21 0.0060 -0.0007 0.0004 3305 VAL 142 HG22 0.0053 -0.0006 0.0003 3306 VAL 142 HG23 0.0051 -0.0003 0.0010 3307 GLY 143 N 0.0043 0.0004 0.0023 3308 GLY 143 CA 0.0036 0.0008 0.0028 3309 GLY 143 C 0.0027 0.0008 0.0023 3310 GLY 143 O 0.0027 0.0005 0.0017 3311 GLY 143 H 0.0041 0.0003 0.0018 3312 GLY 143 HA3 0.0038 0.0007 0.0028 3313 GLY 143 HA2 0.0037 0.0010 0.0034 3314 CYS 144 N 0.0045 0.0013 0.0048 3315 CYS 144 CA 0.0041 0.0009 0.0049 3316 CYS 144 C 0.0031 0.0007 0.0042 3317 CYS 144 O 0.0027 0.0005 0.0039 3318 CYS 144 CB 0.0041 0.0003 0.0060 3319 CYS 144 SG 0.0052 0.0006 0.0068 3320 CYS 144 H 0.0041 0.0010 0.0049 3321 CYS 144 HA 0.0045 0.0013 0.0047 3322 CYS 144 HB3 0.0037 0.0000 0.0060 3323 CYS 144 HB2 0.0037 -0.0001 0.0062 3324 THR 145 N 0.0029 0.0007 0.0039 3325 THR 145 CA 0.0020 0.0004 0.0033 3326 THR 145 C 0.0016 -0.0001 0.0038 3327 THR 145 O 0.0022 -0.0001 0.0044 3328 THR 145 CB 0.0021 0.0010 0.0023 3329 THR 145 OG1 0.0012 0.0008 0.0015 3330 THR 145 CG2 0.0026 0.0014 0.0022 3331 THR 145 H 0.0033 0.0008 0.0042 3332 THR 145 HA 0.0015 0.0001 0.0032 3333 THR 145 HB 0.0024 0.0014 0.0020 3334 THR 145 HG1 0.0011 0.0009 0.0012 3335 THR 145 HG21 0.0027 0.0019 0.0015 3336 THR 145 HG22 0.0033 0.0016 0.0027 3337 THR 145 HG23 0.0023 0.0011 0.0024 3338 CYS 146 N 0.0017 0.0013 0.0048 3339 CYS 146 CA 0.0001 0.0008 0.0053 3340 CYS 146 C -0.0006 0.0004 0.0037 3341 CYS 146 O -0.0009 0.0002 0.0025 3342 CYS 146 CB -0.0010 0.0004 0.0060 3343 CYS 146 SG -0.0030 -0.0003 0.0067 3344 CYS 146 H 0.0016 0.0012 0.0041 3345 CYS 146 HA 0.0002 0.0009 0.0064 3346 CYS 146 HB3 -0.0011 0.0003 0.0051 3347 CYS 146 HB2 -0.0005 0.0007 0.0071 3348 VAL 147 N -0.0008 0.0003 0.0038 3349 VAL 147 CA -0.0014 0.0000 0.0024 3350 VAL 147 C -0.0030 -0.0005 0.0030 3351 VAL 147 O -0.0033 -0.0005 0.0045 3352 VAL 147 CB -0.0001 0.0005 0.0018 3353 VAL 147 CG1 0.0014 0.0010 0.0011 3354 VAL 147 CG2 0.0003 0.0007 0.0032 3355 VAL 147 H -0.0007 0.0005 0.0050 3356 VAL 147 HA -0.0017 -0.0001 0.0014 3357 VAL 147 HB -0.0007 0.0002 0.0008 3358 VAL 147 HG11 0.0023 0.0013 0.0007 3359 VAL 147 HG12 0.0012 0.0008 -0.0001 3360 VAL 147 HG13 0.0019 0.0012 0.0020 3361 VAL 147 HG21 0.0012 0.0010 0.0028 3362 VAL 147 HG22 0.0007 0.0009 0.0044 3363 VAL 147 HG23 -0.0007 0.0003 0.0036 3364 THR 148 N -0.0045 -0.0022 0.0011 3365 THR 148 CA -0.0055 -0.0029 0.0016 3366 THR 148 C -0.0043 -0.0023 0.0024 3367 THR 148 O -0.0031 -0.0014 0.0016 3368 THR 148 CB -0.0065 -0.0032 -0.0001 3369 THR 148 OG1 -0.0056 -0.0023 -0.0016 3370 THR 148 CG2 -0.0077 -0.0038 -0.0010 3371 THR 148 H -0.0044 -0.0019 -0.0003 3372 THR 148 HA -0.0062 -0.0036 0.0026 3373 THR 148 HB -0.0072 -0.0037 0.0002 3374 THR 148 HG1 -0.0053 -0.0022 -0.0014 3375 THR 148 HG21 -0.0084 -0.0040 -0.0022 3376 THR 148 HG22 -0.0085 -0.0045 0.0000 3377 THR 148 HG23 -0.0071 -0.0033 -0.0014 3378 PRO 149 N -0.0047 -0.0029 0.0038 3379 PRO 149 CA -0.0038 -0.0024 0.0046 3380 PRO 149 C -0.0038 -0.0022 0.0033 3381 PRO 149 O -0.0048 -0.0026 0.0020 3382 PRO 149 CB -0.0045 -0.0032 0.0064 3383 PRO 149 CG -0.0062 -0.0042 0.0060 3384 PRO 149 CD -0.0061 -0.0039 0.0048 3385 PRO 149 HA -0.0025 -0.0017 0.0049 3386 PRO 149 HB3 -0.0039 -0.0031 0.0075 3387 PRO 149 HB2 -0.0044 -0.0033 0.0067 3388 PRO 149 HG3 -0.0068 -0.0048 0.0072 3389 PRO 149 HG2 -0.0069 -0.0045 0.0052 3390 PRO 149 HD2 -0.0072 -0.0045 0.0040 3391 PRO 149 HD3 -0.0058 -0.0040 0.0057 3392 ILE 150 N -0.0034 0.0000 0.0008 3393 ILE 150 CA -0.0034 -0.0007 0.0037 3394 ILE 150 C -0.0017 0.0010 0.0003 3395 ILE 150 O -0.0043 0.0007 -0.0035 3396 ILE 150 CB -0.0085 -0.0035 0.0052 3397 ILE 150 CG1 -0.0103 -0.0053 0.0087 3398 ILE 150 CG2 -0.0087 -0.0042 0.0076 3399 ILE 150 CD1 -0.0156 -0.0080 0.0095 3400 ILE 150 H -0.0057 -0.0003 -0.0024 3401 ILE 150 HA -0.0010 -0.0004 0.0073 3402 ILE 150 HB -0.0109 -0.0038 0.0016 3403 ILE 150 HG13 -0.0098 -0.0047 0.0072 3404 ILE 150 HG12 -0.0082 -0.0052 0.0125 3405 ILE 150 HG21 -0.0123 -0.0062 0.0085 3406 ILE 150 HG22 -0.0077 -0.0031 0.0052 3407 ILE 150 HG23 -0.0064 -0.0040 0.0112 3408 ILE 150 HD11 -0.0169 -0.0091 0.0113 3409 ILE 150 HD12 -0.0178 -0.0082 0.0058 3410 ILE 150 HD13 -0.0162 -0.0089 0.0120 3411 VAL 151 N 0.0026 0.0028 0.0016 3412 VAL 151 CA 0.0048 0.0045 -0.0013 3413 VAL 151 C 0.0043 0.0036 0.0015 3414 VAL 151 O 0.0051 0.0028 0.0062 3415 VAL 151 CB 0.0102 0.0072 -0.0015 3416 VAL 151 CG1 0.0127 0.0091 -0.0045 3417 VAL 151 CG2 0.0109 0.0081 -0.0038 3418 VAL 151 H 0.0045 0.0029 0.0049 3419 VAL 151 HA 0.0031 0.0046 -0.0052 3420 VAL 151 HB 0.0119 0.0071 0.0024 3421 VAL 151 HG11 0.0164 0.0110 -0.0048 3422 VAL 151 HG12 0.0128 0.0087 -0.0026 3423 VAL 151 HG13 0.0110 0.0093 -0.0083 3424 VAL 151 HG21 0.0147 0.0100 -0.0041 3425 VAL 151 HG22 0.0090 0.0081 -0.0076 3426 VAL 151 HG23 0.0097 0.0069 -0.0014 3427 HIS 152 N -0.0101 -0.0025 -0.0011 3428 HIS 152 CA -0.0076 0.0002 -0.0025 3429 HIS 152 C -0.0047 -0.0019 -0.0005 3430 HIS 152 O -0.0037 -0.0049 0.0017 3431 HIS 152 CB -0.0049 0.0031 -0.0041 3432 HIS 152 CG -0.0017 0.0019 -0.0026 3433 HIS 152 ND1 -0.0028 -0.0003 -0.0013 3434 HIS 152 CD2 0.0028 0.0026 -0.0023 3435 HIS 152 CE1 0.0009 -0.0008 -0.0003 3436 HIS 152 NE2 0.0044 0.0009 -0.0008 3437 HIS 152 H -0.0089 -0.0049 0.0008 3438 HIS 152 HA -0.0098 0.0015 -0.0038 3439 HIS 152 HB3 -0.0072 0.0046 -0.0055 3440 HIS 152 HB2 -0.0032 0.0051 -0.0051 3441 HIS 152 HD1 -0.0057 -0.0014 -0.0011 3442 HIS 152 HD2 0.0049 0.0042 -0.0031 3443 HIS 152 HE1 0.0010 -0.0024 0.0009 3444 HIS 153 N -0.0034 -0.0004 -0.0013 3445 HIS 153 CA -0.0008 -0.0021 0.0003 3446 HIS 153 C 0.0039 -0.0016 0.0008 3447 HIS 153 O 0.0070 -0.0018 0.0015 3448 HIS 153 CB -0.0017 -0.0004 -0.0010 3449 HIS 153 CG -0.0005 -0.0025 0.0007 3450 HIS 153 ND1 0.0038 -0.0029 0.0017 3451 HIS 153 CD2 -0.0029 -0.0043 0.0015 3452 HIS 153 CE1 0.0037 -0.0048 0.0030 3453 HIS 153 NE2 -0.0003 -0.0058 0.0030 3454 HIS 153 H -0.0044 0.0020 -0.0032 3455 HIS 153 HA -0.0019 -0.0050 0.0022 3456 HIS 153 HXT 0.0045 -0.0010 0.0005 3457 HIS 153 HB3 -0.0002 0.0023 -0.0026 3458 HIS 153 HB2 -0.0052 -0.0002 -0.0018 3459 HIS 153 HD1 0.0064 -0.0020 0.0016 3460 HIS 153 HD2 -0.0064 -0.0047 0.0011 3461 HIS 153 HE1 0.0066 -0.0055 0.0041