1 PRO 42 N 0.0041 0.0091 0.0180 2 PRO 42 CA 0.0066 0.0072 0.0161 3 PRO 42 C 0.0056 0.0069 0.0149 4 PRO 42 O 0.0026 0.0076 0.0140 5 PRO 42 CB 0.0064 0.0056 0.0132 6 PRO 42 CG 0.0027 0.0068 0.0126 7 PRO 42 CD 0.0019 0.0089 0.0160 8 PRO 42 H 0.0052 0.0099 0.0202 9 PRO 42 HA 0.0091 0.0070 0.0176 10 PRO 42 HB3 0.0082 0.0053 0.0138 11 PRO 42 HB2 0.0071 0.0042 0.0110 12 PRO 42 HG3 0.0024 0.0062 0.0113 13 PRO 42 HG2 0.0010 0.0067 0.0111 14 PRO 42 HD2 -0.0008 0.0099 0.0159 15 PRO 42 HD3 0.0021 0.0093 0.0169 16 ARG 43 N 0.0082 0.0059 0.0149 17 ARG 43 CA 0.0077 0.0056 0.0140 18 ARG 43 C 0.0060 0.0043 0.0104 19 ARG 43 O 0.0037 0.0049 0.0097 20 ARG 43 CB 0.0111 0.0046 0.0147 21 ARG 43 CG 0.0107 0.0045 0.0142 22 ARG 43 CD 0.0141 0.0033 0.0144 23 ARG 43 NE 0.0157 0.0012 0.0115 24 ARG 43 CZ 0.0174 -0.0003 0.0100 25 ARG 43 NH1 0.0181 -0.0000 0.0111 26 ARG 43 NH2 0.0185 -0.0022 0.0073 27 ARG 43 H 0.0106 0.0053 0.0157 28 ARG 43 HA 0.0060 0.0071 0.0155 29 ARG 43 HB3 0.0129 0.0032 0.0132 30 ARG 43 HB2 0.0123 0.0055 0.0172 31 ARG 43 HG3 0.0090 0.0060 0.0157 32 ARG 43 HG2 0.0094 0.0037 0.0117 33 ARG 43 HD3 0.0159 0.0037 0.0165 34 ARG 43 HD2 0.0137 0.0038 0.0150 35 ARG 43 HH22 0.0199 -0.0034 0.0061 36 ARG 43 HH21 0.0178 -0.0025 0.0062 37 ARG 43 HH12 0.0191 -0.0011 0.0098 38 ARG 43 HH11 0.0176 0.0013 0.0133 39 ARG 43 HE 0.0152 0.0008 0.0105 40 THR 44 N 0.0033 0.0013 0.0084 41 THR 44 CA 0.0028 0.0001 0.0074 42 THR 44 C 0.0014 0.0001 0.0063 43 THR 44 O 0.0014 -0.0001 0.0062 44 THR 44 CB 0.0039 -0.0015 0.0073 45 THR 44 OG1 0.0052 -0.0015 0.0084 46 THR 44 CG2 0.0034 -0.0028 0.0063 47 THR 44 H 0.0035 0.0010 0.0085 48 THR 44 HA 0.0025 0.0005 0.0074 49 THR 44 HB 0.0041 -0.0019 0.0073 50 THR 44 HG1 0.0050 -0.0013 0.0083 51 THR 44 HG21 0.0042 -0.0039 0.0063 52 THR 44 HG22 0.0025 -0.0030 0.0054 53 THR 44 HG23 0.0032 -0.0025 0.0062 54 VAL 45 N 0.0002 0.0003 0.0055 55 VAL 45 CA -0.0011 0.0002 0.0045 56 VAL 45 C -0.0016 -0.0010 0.0034 57 VAL 45 O -0.0011 -0.0014 0.0036 58 VAL 45 CB -0.0022 0.0019 0.0045 59 VAL 45 CG1 -0.0018 0.0031 0.0056 60 VAL 45 CG2 -0.0026 0.0025 0.0046 61 VAL 45 H 0.0003 0.0004 0.0057 62 VAL 45 HA -0.0011 -0.0001 0.0043 63 VAL 45 HB -0.0032 0.0018 0.0038 64 VAL 45 HG11 -0.0026 0.0042 0.0056 65 VAL 45 HG12 -0.0014 0.0026 0.0056 66 VAL 45 HG13 -0.0008 0.0033 0.0064 67 VAL 45 HG21 -0.0034 0.0036 0.0046 68 VAL 45 HG22 -0.0017 0.0026 0.0053 69 VAL 45 HG23 -0.0031 0.0017 0.0038 70 MET 46 N -0.0009 -0.0024 0.0033 71 MET 46 CA -0.0011 -0.0025 0.0027 72 MET 46 C -0.0015 -0.0017 0.0023 73 MET 46 O -0.0017 -0.0014 0.0020 74 MET 46 CB -0.0011 -0.0032 0.0021 75 MET 46 CG -0.0008 -0.0040 0.0024 76 MET 46 SD -0.0008 -0.0048 0.0016 77 MET 46 CE -0.0008 -0.0048 0.0015 78 MET 46 H -0.0010 -0.0024 0.0030 79 MET 46 HA -0.0009 -0.0026 0.0030 80 MET 46 HB3 -0.0013 -0.0032 0.0016 81 MET 46 HB2 -0.0012 -0.0031 0.0018 82 MET 46 HG3 -0.0006 -0.0041 0.0029 83 MET 46 HG2 -0.0006 -0.0041 0.0026 84 MET 46 HE1 -0.0008 -0.0053 0.0011 85 MET 46 HE2 -0.0006 -0.0048 0.0021 86 MET 46 HE3 -0.0011 -0.0042 0.0013 87 VAL 47 N -0.0016 -0.0015 0.0022 88 VAL 47 CA -0.0019 -0.0008 0.0018 89 VAL 47 C -0.0021 -0.0011 0.0012 90 VAL 47 O -0.0019 -0.0015 0.0014 91 VAL 47 CB -0.0019 -0.0001 0.0024 92 VAL 47 CG1 -0.0023 0.0006 0.0019 93 VAL 47 CG2 -0.0018 0.0002 0.0030 94 VAL 47 H -0.0014 -0.0018 0.0025 95 VAL 47 HA -0.0021 -0.0006 0.0015 96 VAL 47 HB -0.0017 -0.0004 0.0027 97 VAL 47 HG11 -0.0023 0.0011 0.0024 98 VAL 47 HG12 -0.0024 0.0004 0.0016 99 VAL 47 HG13 -0.0025 0.0008 0.0016 100 VAL 47 HG21 -0.0018 0.0007 0.0034 101 VAL 47 HG22 -0.0019 0.0003 0.0028 102 VAL 47 HG23 -0.0015 -0.0003 0.0034 103 ASN 48 N -0.0008 -0.0015 -0.0005 104 ASN 48 CA -0.0005 -0.0009 -0.0011 105 ASN 48 C -0.0006 0.0004 -0.0009 106 ASN 48 O -0.0005 0.0008 -0.0011 107 ASN 48 CB 0.0000 -0.0012 -0.0022 108 ASN 48 CG 0.0004 -0.0008 -0.0029 109 ASN 48 OD1 0.0003 -0.0001 -0.0027 110 ASN 48 ND2 0.0007 -0.0015 -0.0037 111 ASN 48 H -0.0006 -0.0017 -0.0008 112 ASN 48 HA -0.0006 -0.0011 -0.0008 113 ASN 48 HB3 0.0002 -0.0008 -0.0025 114 ASN 48 HB2 0.0001 -0.0021 -0.0023 115 ASN 48 HD22 0.0010 -0.0012 -0.0042 116 ASN 48 HD21 0.0008 -0.0020 -0.0040 117 LEU 49 N -0.0008 0.0010 -0.0005 118 LEU 49 CA -0.0009 0.0022 -0.0002 119 LEU 49 C -0.0005 0.0030 -0.0010 120 LEU 49 O -0.0006 0.0040 -0.0009 121 LEU 49 CB -0.0013 0.0024 0.0007 122 LEU 49 CG -0.0018 0.0019 0.0017 123 LEU 49 CD1 -0.0022 0.0023 0.0025 124 LEU 49 CD2 -0.0020 0.0020 0.0021 125 LEU 49 H -0.0008 0.0006 -0.0003 126 LEU 49 HA -0.0010 0.0023 0.0001 127 LEU 49 HB3 -0.0014 0.0033 0.0008 128 LEU 49 HB2 -0.0012 0.0022 0.0004 129 LEU 49 HG -0.0018 0.0010 0.0016 130 LEU 49 HD11 -0.0025 0.0022 0.0033 131 LEU 49 HD12 -0.0022 0.0018 0.0025 132 LEU 49 HD13 -0.0021 0.0032 0.0024 133 LEU 49 HD21 -0.0024 0.0019 0.0029 134 LEU 49 HD22 -0.0019 0.0029 0.0020 135 LEU 49 HD23 -0.0018 0.0015 0.0017 136 ASN 50 N 0.0024 0.0051 -0.0033 137 ASN 50 CA 0.0033 0.0060 -0.0040 138 ASN 50 C 0.0038 0.0059 -0.0047 139 ASN 50 O 0.0043 0.0052 -0.0055 140 ASN 50 CB 0.0037 0.0056 -0.0047 141 ASN 50 CG 0.0033 0.0059 -0.0041 142 ASN 50 OD1 0.0030 0.0068 -0.0034 143 ASN 50 ND2 0.0035 0.0053 -0.0045 144 ASN 50 H 0.0023 0.0042 -0.0034 145 ASN 50 HA 0.0032 0.0069 -0.0036 146 ASN 50 HB3 0.0044 0.0061 -0.0053 147 ASN 50 HB2 0.0037 0.0045 -0.0050 148 ASN 50 HD22 0.0033 0.0056 -0.0041 149 ASN 50 HD21 0.0038 0.0047 -0.0051 150 ILE 51 N 0.0038 0.0068 -0.0044 151 ILE 51 CA 0.0042 0.0069 -0.0048 152 ILE 51 C 0.0051 0.0070 -0.0060 153 ILE 51 O 0.0056 0.0077 -0.0063 154 ILE 51 CB 0.0040 0.0080 -0.0042 155 ILE 51 CG1 0.0030 0.0080 -0.0031 156 ILE 51 CG2 0.0044 0.0083 -0.0047 157 ILE 51 CD1 0.0028 0.0093 -0.0024 158 ILE 51 H 0.0033 0.0073 -0.0037 159 ILE 51 HA 0.0038 0.0060 -0.0047 160 ILE 51 HB 0.0042 0.0089 -0.0043 161 ILE 51 HG13 0.0027 0.0076 -0.0028 162 ILE 51 HG12 0.0028 0.0073 -0.0030 163 ILE 51 HG21 0.0043 0.0090 -0.0043 164 ILE 51 HG22 0.0051 0.0085 -0.0055 165 ILE 51 HG23 0.0042 0.0074 -0.0048 166 ILE 51 HD11 0.0022 0.0092 -0.0016 167 ILE 51 HD12 0.0029 0.0099 -0.0023 168 ILE 51 HD13 0.0032 0.0098 -0.0027 169 HIS 52 N 0.0086 0.0084 -0.0063 170 HIS 52 CA 0.0096 0.0083 -0.0066 171 HIS 52 C 0.0089 0.0082 -0.0064 172 HIS 52 O 0.0080 0.0076 -0.0059 173 HIS 52 CB 0.0106 0.0071 -0.0066 174 HIS 52 CG 0.0115 0.0073 -0.0070 175 HIS 52 ND1 0.0115 0.0084 -0.0073 176 HIS 52 CD2 0.0126 0.0066 -0.0071 177 HIS 52 CE1 0.0125 0.0083 -0.0076 178 HIS 52 NE2 0.0132 0.0072 -0.0075 179 HIS 52 H 0.0081 0.0077 -0.0059 180 HIS 52 HA 0.0101 0.0091 -0.0071 181 HIS 52 HB3 0.0111 0.0069 -0.0067 182 HIS 52 HB2 0.0101 0.0063 -0.0061 183 HIS 52 HD1 0.0108 0.0092 -0.0074 184 HIS 52 HD2 0.0129 0.0056 -0.0069 185 HIS 52 HE1 0.0127 0.0090 -0.0080 186 ASN 53 N 0.0094 0.0089 -0.0068 187 ASN 53 CA 0.0089 0.0089 -0.0066 188 ASN 53 C 0.0097 0.0078 -0.0065 189 ASN 53 O 0.0109 0.0078 -0.0069 190 ASN 53 CB 0.0089 0.0102 -0.0071 191 ASN 53 CG 0.0078 0.0111 -0.0070 192 ASN 53 OD1 0.0071 0.0116 -0.0069 193 ASN 53 ND2 0.0076 0.0114 -0.0070 194 ASN 53 H 0.0102 0.0093 -0.0072 195 ASN 53 HA 0.0079 0.0086 -0.0062 196 ASN 53 HB3 0.0089 0.0100 -0.0070 197 ASN 53 HB2 0.0098 0.0105 -0.0075 198 ASN 53 HD22 0.0069 0.0120 -0.0070 199 ASN 53 HD21 0.0082 0.0109 -0.0070 200 ARG 54 N 0.0084 0.0072 -0.0057 201 ARG 54 CA 0.0089 0.0062 -0.0036 202 ARG 54 C 0.0068 0.0056 -0.0030 203 ARG 54 O 0.0052 0.0051 -0.0024 204 ARG 54 CB 0.0095 0.0056 -0.0023 205 ARG 54 CG 0.0096 0.0044 0.0000 206 ARG 54 CD 0.0116 0.0043 0.0008 207 ARG 54 NE 0.0137 0.0046 0.0005 208 ARG 54 CZ 0.0158 0.0048 0.0006 209 ARG 54 NH1 0.0161 0.0046 0.0010 210 ARG 54 NH2 0.0175 0.0053 0.0001 211 ARG 54 H 0.0072 0.0071 -0.0058 212 ARG 54 HA 0.0103 0.0063 -0.0036 213 ARG 54 HB3 0.0083 0.0056 -0.0026 214 ARG 54 HB2 0.0111 0.0060 -0.0027 215 ARG 54 HG3 0.0080 0.0040 0.0006 216 ARG 54 HG2 0.0097 0.0041 0.0008 217 ARG 54 HD3 0.0116 0.0047 -0.0002 218 ARG 54 HD2 0.0114 0.0035 0.0023 219 ARG 54 HH22 0.0191 0.0054 0.0002 220 ARG 54 HH21 0.0172 0.0055 -0.0004 221 ARG 54 HH12 0.0176 0.0048 0.0010 222 ARG 54 HH11 0.0147 0.0043 0.0013 223 ARG 54 HE 0.0136 0.0048 0.0002 224 ASN 55 N 0.0069 0.0057 -0.0032 225 ASN 55 CA 0.0053 0.0051 -0.0023 226 ASN 55 C 0.0029 0.0053 -0.0033 227 ASN 55 O 0.0014 0.0047 -0.0024 228 ASN 55 CB 0.0053 0.0039 0.0000 229 ASN 55 CG 0.0076 0.0036 0.0012 230 ASN 55 OD1 0.0094 0.0042 0.0004 231 ASN 55 ND2 0.0076 0.0026 0.0032 232 ASN 55 H 0.0082 0.0062 -0.0038 233 ASN 55 HA 0.0060 0.0054 -0.0027 234 ASN 55 HB3 0.0042 0.0035 0.0006 235 ASN 55 HB2 0.0046 0.0036 0.0004 236 ASN 55 HD22 0.0090 0.0023 0.0040 237 ASN 55 HD21 0.0061 0.0021 0.0038 238 THR 56 N 0.0065 0.0042 -0.0039 239 THR 56 CA 0.0069 0.0032 -0.0044 240 THR 56 C 0.0068 0.0023 -0.0036 241 THR 56 O 0.0071 0.0014 -0.0039 242 THR 56 CB 0.0069 0.0035 -0.0048 243 THR 56 OG1 0.0066 0.0039 -0.0040 244 THR 56 CG2 0.0070 0.0044 -0.0057 245 THR 56 H 0.0063 0.0048 -0.0039 246 THR 56 HA 0.0071 0.0030 -0.0050 247 THR 56 HB 0.0072 0.0028 -0.0051 248 THR 56 HG1 0.0067 0.0038 -0.0042 249 THR 56 HG21 0.0070 0.0046 -0.0059 250 THR 56 HG22 0.0073 0.0041 -0.0064 251 THR 56 HG23 0.0068 0.0051 -0.0055 252 TYR 66 N -0.0022 -0.0028 -0.0051 253 TYR 66 CA -0.0024 -0.0028 -0.0040 254 TYR 66 C -0.0024 -0.0029 -0.0052 255 TYR 66 O -0.0034 -0.0032 -0.0048 256 TYR 66 CB -0.0010 -0.0020 -0.0026 257 TYR 66 CG -0.0009 -0.0018 -0.0012 258 TYR 66 CD1 -0.0023 -0.0022 -0.0006 259 TYR 66 CD2 0.0006 -0.0011 -0.0003 260 TYR 66 CE1 -0.0021 -0.0020 0.0007 261 TYR 66 CE2 0.0008 -0.0008 0.0011 262 TYR 66 CZ -0.0006 -0.0013 0.0016 263 TYR 66 OH -0.0004 -0.0010 0.0029 264 TYR 66 H -0.0011 -0.0024 -0.0050 265 TYR 66 HA -0.0037 -0.0031 -0.0033 266 TYR 66 HB3 -0.0012 -0.0020 -0.0019 267 TYR 66 HB2 0.0002 -0.0017 -0.0034 268 TYR 66 HD1 -0.0035 -0.0028 -0.0013 269 TYR 66 HD2 0.0017 -0.0007 -0.0007 270 TYR 66 HE1 -0.0032 -0.0023 0.0012 271 TYR 66 HE2 0.0020 -0.0003 0.0017 272 TYR 66 HH 0.0007 -0.0005 0.0034 273 TYR 67 N -0.0014 -0.0028 -0.0068 274 TYR 67 CA -0.0014 -0.0029 -0.0081 275 TYR 67 C -0.0032 -0.0037 -0.0089 276 TYR 67 O -0.0035 -0.0039 -0.0095 277 TYR 67 CB 0.0001 -0.0026 -0.0095 278 TYR 67 CG -0.0003 -0.0029 -0.0111 279 TYR 67 CD1 -0.0004 -0.0030 -0.0108 280 TYR 67 CD2 -0.0004 -0.0032 -0.0128 281 TYR 67 CE1 -0.0008 -0.0033 -0.0123 282 TYR 67 CE2 -0.0008 -0.0036 -0.0143 283 TYR 67 CZ -0.0010 -0.0036 -0.0140 284 TYR 67 OH -0.0014 -0.0040 -0.0154 285 TYR 67 H -0.0007 -0.0025 -0.0071 286 TYR 67 HA -0.0011 -0.0027 -0.0074 287 TYR 67 HB3 0.0012 -0.0021 -0.0089 288 TYR 67 HB2 0.0003 -0.0026 -0.0101 289 TYR 67 HD1 -0.0003 -0.0027 -0.0095 290 TYR 67 HD2 -0.0002 -0.0032 -0.0131 291 TYR 67 HE1 -0.0009 -0.0033 -0.0120 292 TYR 67 HE2 -0.0009 -0.0038 -0.0156 293 TYR 67 HH -0.0011 -0.0040 -0.0166 294 ASN 68 N -0.0004 -0.0019 -0.0086 295 ASN 68 CA -0.0018 -0.0035 -0.0092 296 ASN 68 C -0.0031 -0.0041 -0.0077 297 ASN 68 O -0.0039 -0.0051 -0.0084 298 ASN 68 CB -0.0024 -0.0041 -0.0094 299 ASN 68 CG -0.0016 -0.0041 -0.0113 300 ASN 68 OD1 -0.0013 -0.0043 -0.0128 301 ASN 68 ND2 -0.0014 -0.0038 -0.0112 302 ASN 68 H -0.0004 -0.0015 -0.0076 303 ASN 68 HA -0.0016 -0.0038 -0.0106 304 ASN 68 HB3 -0.0036 -0.0053 -0.0095 305 ASN 68 HB2 -0.0024 -0.0037 -0.0082 306 ASN 68 HD22 -0.0008 -0.0036 -0.0123 307 ASN 68 HD21 -0.0017 -0.0036 -0.0099 308 ARG 69 N -0.0032 -0.0036 -0.0059 309 ARG 69 CA -0.0044 -0.0042 -0.0043 310 ARG 69 C -0.0042 -0.0038 -0.0037 311 ARG 69 O -0.0053 -0.0043 -0.0025 312 ARG 69 CB -0.0045 -0.0036 -0.0025 313 ARG 69 CG -0.0049 -0.0040 -0.0027 314 ARG 69 CD -0.0044 -0.0030 -0.0012 315 ARG 69 NE -0.0049 -0.0028 0.0008 316 ARG 69 CZ -0.0044 -0.0017 0.0024 317 ARG 69 NH1 -0.0049 -0.0016 0.0041 318 ARG 69 NH2 -0.0033 -0.0007 0.0022 319 ARG 69 H -0.0025 -0.0028 -0.0055 320 ARG 69 HA -0.0055 -0.0053 -0.0047 321 ARG 69 HB3 -0.0054 -0.0040 -0.0013 322 ARG 69 HB2 -0.0035 -0.0024 -0.0020 323 ARG 69 HG3 -0.0043 -0.0040 -0.0041 324 ARG 69 HG2 -0.0061 -0.0052 -0.0027 325 ARG 69 HD3 -0.0032 -0.0020 -0.0016 326 ARG 69 HD2 -0.0049 -0.0035 -0.0013 327 ARG 69 HH22 -0.0028 0.0001 0.0032 328 ARG 69 HH21 -0.0029 -0.0009 0.0009 329 ARG 69 HH12 -0.0046 -0.0008 0.0053 330 ARG 69 HH11 -0.0058 -0.0023 0.0043 331 ARG 69 HE -0.0058 -0.0036 0.0011 332 SER 70 N -0.0039 -0.0011 -0.0046 333 SER 70 CA -0.0038 -0.0010 -0.0036 334 SER 70 C -0.0041 -0.0001 -0.0029 335 SER 70 O -0.0042 0.0001 -0.0028 336 SER 70 CB -0.0033 -0.0021 -0.0030 337 SER 70 OG -0.0032 -0.0021 -0.0020 338 SER 70 H -0.0036 -0.0017 -0.0046 339 SER 70 HA -0.0039 -0.0009 -0.0039 340 SER 70 HB3 -0.0032 -0.0023 -0.0030 341 SER 70 HB2 -0.0031 -0.0026 -0.0036 342 SER 70 HG -0.0031 -0.0024 -0.0021 343 THR 71 N -0.0042 0.0003 -0.0022 344 THR 71 CA -0.0044 0.0010 -0.0013 345 THR 71 C -0.0041 0.0005 -0.0004 346 THR 71 O -0.0042 0.0010 0.0004 347 THR 71 CB -0.0046 0.0015 -0.0010 348 THR 71 OG1 -0.0042 0.0008 -0.0006 349 THR 71 CG2 -0.0049 0.0020 -0.0018 350 THR 71 H -0.0041 0.0000 -0.0024 351 THR 71 HA -0.0047 0.0016 -0.0016 352 THR 71 HB -0.0047 0.0020 -0.0003 353 THR 71 HG1 -0.0041 0.0007 0.0002 354 THR 71 HG21 -0.0050 0.0024 -0.0015 355 THR 71 HG22 -0.0052 0.0026 -0.0021 356 THR 71 HG23 -0.0048 0.0016 -0.0025 357 SER 72 N -0.0046 -0.0001 -0.0028 358 SER 72 CA -0.0039 -0.0008 -0.0022 359 SER 72 C -0.0033 -0.0016 -0.0033 360 SER 72 O -0.0025 -0.0024 -0.0032 361 SER 72 CB -0.0033 -0.0012 -0.0010 362 SER 72 OG -0.0030 -0.0016 -0.0014 363 SER 72 H -0.0044 -0.0005 -0.0034 364 SER 72 HA -0.0042 -0.0003 -0.0018 365 SER 72 HB3 -0.0037 -0.0006 -0.0002 366 SER 72 HB2 -0.0026 -0.0017 -0.0006 367 SER 72 HG -0.0028 -0.0019 -0.0024 368 PRO 73 N -0.0038 -0.0013 -0.0043 369 PRO 73 CA -0.0033 -0.0020 -0.0055 370 PRO 73 C -0.0024 -0.0028 -0.0051 371 PRO 73 O -0.0024 -0.0027 -0.0041 372 PRO 73 CB -0.0041 -0.0014 -0.0064 373 PRO 73 CG -0.0048 -0.0005 -0.0055 374 PRO 73 CD -0.0047 -0.0004 -0.0043 375 PRO 73 HA -0.0030 -0.0024 -0.0059 376 PRO 73 HB3 -0.0045 -0.0011 -0.0070 377 PRO 73 HB2 -0.0039 -0.0018 -0.0072 378 PRO 73 HG3 -0.0055 0.0001 -0.0060 379 PRO 73 HG2 -0.0045 -0.0008 -0.0052 380 PRO 73 HD2 -0.0048 -0.0001 -0.0034 381 PRO 73 HD3 -0.0053 0.0002 -0.0045 382 TRP 74 N -0.0036 -0.0043 -0.0084 383 TRP 74 CA -0.0027 -0.0040 -0.0091 384 TRP 74 C -0.0023 -0.0036 -0.0103 385 TRP 74 O -0.0025 -0.0036 -0.0106 386 TRP 74 CB -0.0016 -0.0039 -0.0082 387 TRP 74 CG -0.0006 -0.0038 -0.0078 388 TRP 74 CD1 0.0004 -0.0034 -0.0083 389 TRP 74 CD2 -0.0007 -0.0040 -0.0066 390 TRP 74 NE1 0.0011 -0.0034 -0.0076 391 TRP 74 CE2 0.0004 -0.0038 -0.0066 392 TRP 74 CE3 -0.0015 -0.0044 -0.0056 393 TRP 74 CZ2 0.0007 -0.0039 -0.0056 394 TRP 74 CZ3 -0.0013 -0.0045 -0.0046 395 TRP 74 CH2 -0.0002 -0.0043 -0.0046 396 TRP 74 H -0.0033 -0.0042 -0.0085 397 TRP 74 HA -0.0032 -0.0040 -0.0094 398 TRP 74 HB3 -0.0019 -0.0041 -0.0074 399 TRP 74 HB2 -0.0010 -0.0037 -0.0087 400 TRP 74 HD1 0.0007 -0.0032 -0.0092 401 TRP 74 HE1 0.0019 -0.0032 -0.0079 402 TRP 74 HE3 -0.0024 -0.0046 -0.0057 403 TRP 74 HZ2 0.0016 -0.0037 -0.0055 404 TRP 74 HZ3 -0.0020 -0.0048 -0.0039 405 TRP 74 HH2 -0.0000 -0.0044 -0.0038 406 ASN 75 N -0.0018 -0.0034 -0.0111 407 ASN 75 CA -0.0011 -0.0030 -0.0123 408 ASN 75 C 0.0002 -0.0027 -0.0121 409 ASN 75 O 0.0004 -0.0028 -0.0115 410 ASN 75 CB -0.0018 -0.0029 -0.0134 411 ASN 75 CG -0.0032 -0.0032 -0.0137 412 ASN 75 OD1 -0.0035 -0.0033 -0.0134 413 ASN 75 ND2 -0.0039 -0.0032 -0.0143 414 ASN 75 H -0.0016 -0.0034 -0.0108 415 ASN 75 HA -0.0011 -0.0030 -0.0124 416 ASN 75 HB3 -0.0013 -0.0026 -0.0143 417 ASN 75 HB2 -0.0017 -0.0029 -0.0134 418 ASN 75 HD22 -0.0049 -0.0034 -0.0145 419 ASN 75 HD21 -0.0036 -0.0031 -0.0145 420 LEU 76 N -0.0008 0.0004 -0.0130 421 LEU 76 CA -0.0005 0.0003 -0.0129 422 LEU 76 C -0.0016 0.0016 -0.0133 423 LEU 76 O -0.0016 0.0030 -0.0137 424 LEU 76 CB 0.0013 0.0005 -0.0131 425 LEU 76 CG 0.0025 -0.0009 -0.0127 426 LEU 76 CD1 0.0043 -0.0005 -0.0129 427 LEU 76 CD2 0.0020 -0.0025 -0.0122 428 LEU 76 H -0.0002 0.0013 -0.0132 429 LEU 76 HA -0.0009 -0.0009 -0.0126 430 LEU 76 HB3 0.0015 0.0006 -0.0131 431 LEU 76 HB2 0.0018 0.0017 -0.0134 432 LEU 76 HG 0.0024 -0.0010 -0.0127 433 LEU 76 HD11 0.0052 -0.0014 -0.0126 434 LEU 76 HD12 0.0047 0.0007 -0.0132 435 LEU 76 HD13 0.0046 -0.0005 -0.0129 436 LEU 76 HD21 0.0031 -0.0033 -0.0120 437 LEU 76 HD22 0.0012 -0.0024 -0.0122 438 LEU 76 HD23 0.0013 -0.0032 -0.0120 439 HIS 77 N -0.0024 0.0012 -0.0132 440 HIS 77 CA -0.0034 0.0024 -0.0134 441 HIS 77 C -0.0027 0.0023 -0.0135 442 HIS 77 O -0.0021 0.0011 -0.0131 443 HIS 77 CB -0.0053 0.0020 -0.0133 444 HIS 77 CG -0.0060 0.0021 -0.0133 445 HIS 77 ND1 -0.0057 0.0034 -0.0137 446 HIS 77 CD2 -0.0071 0.0011 -0.0130 447 HIS 77 CE1 -0.0065 0.0031 -0.0136 448 HIS 77 NE2 -0.0075 0.0018 -0.0132 449 HIS 77 H -0.0024 0.0001 -0.0128 450 HIS 77 HA -0.0032 0.0036 -0.0138 451 HIS 77 HB3 -0.0060 0.0028 -0.0135 452 HIS 77 HB2 -0.0055 0.0007 -0.0129 453 HIS 77 HD1 -0.0048 0.0042 -0.0139 454 HIS 77 HD2 -0.0077 0.0000 -0.0127 455 HIS 77 HE1 -0.0065 0.0039 -0.0138 456 ARG 78 N -0.0065 0.0062 -0.0095 457 ARG 78 CA -0.0057 0.0044 -0.0101 458 ARG 78 C -0.0066 0.0028 -0.0081 459 ARG 78 O -0.0075 0.0038 -0.0071 460 ARG 78 CB -0.0052 0.0058 -0.0115 461 ARG 78 CG -0.0040 0.0042 -0.0126 462 ARG 78 CD -0.0035 0.0058 -0.0140 463 ARG 78 NE -0.0026 0.0043 -0.0148 464 ARG 78 CZ -0.0030 0.0034 -0.0138 465 ARG 78 NH1 -0.0020 0.0020 -0.0148 466 ARG 78 NH2 -0.0044 0.0037 -0.0118 467 ARG 78 H -0.0072 0.0078 -0.0092 468 ARG 78 HA -0.0047 0.0032 -0.0111 469 ARG 78 HB3 -0.0061 0.0068 -0.0105 470 ARG 78 HB2 -0.0047 0.0071 -0.0126 471 ARG 78 HG3 -0.0031 0.0033 -0.0136 472 ARG 78 HG2 -0.0043 0.0027 -0.0115 473 ARG 78 HD3 -0.0044 0.0073 -0.0133 474 ARG 78 HD2 -0.0027 0.0066 -0.0154 475 ARG 78 HH22 -0.0046 0.0027 -0.0111 476 ARG 78 HH21 -0.0052 0.0046 -0.0109 477 ARG 78 HH12 -0.0023 0.0008 -0.0139 478 ARG 78 HH11 -0.0009 0.0017 -0.0163 479 ARG 78 HE -0.0015 0.0038 -0.0163 480 ASN 79 N -0.0063 0.0006 -0.0077 481 ASN 79 CA -0.0070 -0.0013 -0.0060 482 ASN 79 C -0.0059 -0.0027 -0.0070 483 ASN 79 O -0.0047 -0.0039 -0.0084 484 ASN 79 CB -0.0071 -0.0030 -0.0052 485 ASN 79 CG -0.0077 -0.0051 -0.0035 486 ASN 79 OD1 -0.0076 -0.0061 -0.0032 487 ASN 79 ND2 -0.0082 -0.0060 -0.0023 488 ASN 79 H -0.0055 -0.0001 -0.0087 489 ASN 79 HA -0.0080 -0.0005 -0.0047 490 ASN 79 HB3 -0.0060 -0.0037 -0.0065 491 ASN 79 HB2 -0.0078 -0.0018 -0.0046 492 ASN 79 HD22 -0.0087 -0.0073 -0.0011 493 ASN 79 HD21 -0.0081 -0.0054 -0.0027 494 GLU 80 N -0.0066 -0.0031 -0.0033 495 GLU 80 CA -0.0057 -0.0044 -0.0040 496 GLU 80 C -0.0050 -0.0054 -0.0027 497 GLU 80 O -0.0053 -0.0050 -0.0016 498 GLU 80 CB -0.0058 -0.0042 -0.0054 499 GLU 80 CG -0.0048 -0.0055 -0.0063 500 GLU 80 CD -0.0049 -0.0053 -0.0080 501 GLU 80 OE1 -0.0055 -0.0045 -0.0080 502 GLU 80 OE2 -0.0045 -0.0058 -0.0092 503 GLU 80 H -0.0069 -0.0027 -0.0027 504 GLU 80 HA -0.0054 -0.0048 -0.0046 505 GLU 80 HB3 -0.0060 -0.0038 -0.0050 506 GLU 80 HB2 -0.0063 -0.0034 -0.0063 507 GLU 80 HG3 -0.0044 -0.0060 -0.0065 508 GLU 80 HG2 -0.0043 -0.0062 -0.0056 509 ASP 81 N -0.0041 -0.0066 -0.0029 510 ASP 81 CA -0.0033 -0.0077 -0.0018 511 ASP 81 C -0.0024 -0.0090 -0.0029 512 ASP 81 O -0.0022 -0.0093 -0.0035 513 ASP 81 CB -0.0034 -0.0077 -0.0005 514 ASP 81 CG -0.0026 -0.0088 0.0008 515 ASP 81 OD1 -0.0019 -0.0099 0.0006 516 ASP 81 OD2 -0.0028 -0.0087 0.0019 517 ASP 81 H -0.0039 -0.0068 -0.0039 518 ASP 81 HA -0.0034 -0.0076 -0.0012 519 ASP 81 HB3 -0.0034 -0.0077 -0.0011 520 ASP 81 HB2 -0.0041 -0.0068 0.0001 521 PRO 82 N -0.0042 -0.0106 0.0035 522 PRO 82 CA -0.0051 -0.0113 0.0035 523 PRO 82 C -0.0053 -0.0107 0.0033 524 PRO 82 O -0.0063 -0.0110 0.0032 525 PRO 82 CB -0.0046 -0.0126 0.0039 526 PRO 82 CG -0.0031 -0.0124 0.0041 527 PRO 82 CD -0.0030 -0.0113 0.0039 528 PRO 82 HA -0.0061 -0.0114 0.0033 529 PRO 82 HB3 -0.0050 -0.0132 0.0040 530 PRO 82 HB2 -0.0048 -0.0131 0.0040 531 PRO 82 HG3 -0.0026 -0.0132 0.0044 532 PRO 82 HG2 -0.0027 -0.0121 0.0041 533 PRO 82 HD2 -0.0022 -0.0107 0.0039 534 PRO 82 HD3 -0.0031 -0.0117 0.0040 535 GLU 83 N -0.0044 -0.0098 0.0033 536 GLU 83 CA -0.0044 -0.0091 0.0031 537 GLU 83 C -0.0052 -0.0079 0.0027 538 GLU 83 O -0.0052 -0.0071 0.0025 539 GLU 83 CB -0.0030 -0.0089 0.0033 540 GLU 83 CG -0.0024 -0.0101 0.0037 541 GLU 83 CD -0.0030 -0.0107 0.0038 542 GLU 83 OE1 -0.0031 -0.0101 0.0036 543 GLU 83 OE2 -0.0035 -0.0118 0.0039 544 GLU 83 H -0.0037 -0.0096 0.0034 545 GLU 83 HA -0.0050 -0.0097 0.0032 546 GLU 83 HB3 -0.0030 -0.0082 0.0032 547 GLU 83 HB2 -0.0025 -0.0084 0.0033 548 GLU 83 HG3 -0.0014 -0.0099 0.0039 549 GLU 83 HG2 -0.0024 -0.0107 0.0039 550 ARG 84 N -0.0034 -0.0069 -0.0016 551 ARG 84 CA -0.0036 -0.0066 -0.0016 552 ARG 84 C -0.0040 -0.0067 -0.0014 553 ARG 84 O -0.0041 -0.0071 -0.0013 554 ARG 84 CB -0.0034 -0.0067 -0.0016 555 ARG 84 CG -0.0036 -0.0064 -0.0016 556 ARG 84 CD -0.0034 -0.0065 -0.0017 557 ARG 84 NE -0.0034 -0.0068 -0.0016 558 ARG 84 CZ -0.0032 -0.0070 -0.0016 559 ARG 84 NH1 -0.0033 -0.0073 -0.0015 560 ARG 84 NH2 -0.0029 -0.0069 -0.0018 561 ARG 84 H -0.0034 -0.0072 -0.0015 562 ARG 84 HA -0.0036 -0.0064 -0.0016 563 ARG 84 HB3 -0.0035 -0.0069 -0.0016 564 ARG 84 HB2 -0.0032 -0.0066 -0.0017 565 ARG 84 HG3 -0.0035 -0.0061 -0.0017 566 ARG 84 HG2 -0.0038 -0.0064 -0.0015 567 ARG 84 HD3 -0.0031 -0.0065 -0.0018 568 ARG 84 HD2 -0.0034 -0.0062 -0.0017 569 ARG 84 HH22 -0.0028 -0.0071 -0.0018 570 ARG 84 HH21 -0.0028 -0.0067 -0.0019 571 ARG 84 HH12 -0.0032 -0.0075 -0.0016 572 ARG 84 HH11 -0.0035 -0.0075 -0.0014 573 ARG 84 HE -0.0037 -0.0069 -0.0015 574 PRO 86 N -0.0031 -0.0027 -0.0031 575 PRO 86 CA -0.0038 -0.0035 -0.0039 576 PRO 86 C -0.0031 -0.0041 -0.0042 577 PRO 86 O -0.0026 -0.0036 -0.0037 578 PRO 86 CB -0.0051 -0.0030 -0.0037 579 PRO 86 CG -0.0052 -0.0021 -0.0029 580 PRO 86 CD -0.0039 -0.0018 -0.0025 581 PRO 86 HA -0.0039 -0.0041 -0.0043 582 PRO 86 HB3 -0.0058 -0.0035 -0.0041 583 PRO 86 HB2 -0.0051 -0.0029 -0.0035 584 PRO 86 HG3 -0.0056 -0.0022 -0.0031 585 PRO 86 HG2 -0.0059 -0.0015 -0.0026 586 PRO 86 HD2 -0.0036 -0.0014 -0.0022 587 PRO 86 HD3 -0.0038 -0.0012 -0.0021 588 SER 87 N -0.0030 -0.0051 -0.0049 589 SER 87 CA -0.0024 -0.0056 -0.0053 590 SER 87 C -0.0030 -0.0055 -0.0053 591 SER 87 O -0.0024 -0.0054 -0.0051 592 SER 87 CB -0.0021 -0.0067 -0.0061 593 SER 87 OG -0.0032 -0.0071 -0.0066 594 SER 87 H -0.0034 -0.0055 -0.0053 595 SER 87 HA -0.0015 -0.0054 -0.0049 596 SER 87 HB3 -0.0015 -0.0068 -0.0060 597 SER 87 HB2 -0.0016 -0.0072 -0.0064 598 SER 87 HG -0.0032 -0.0078 -0.0071 599 VAL 88 N -0.0015 -0.0062 -0.0094 600 VAL 88 CA -0.0022 -0.0050 -0.0094 601 VAL 88 C -0.0022 -0.0054 -0.0091 602 VAL 88 O -0.0014 -0.0061 -0.0098 603 VAL 88 CB -0.0019 -0.0039 -0.0107 604 VAL 88 CG1 -0.0026 -0.0026 -0.0108 605 VAL 88 CG2 -0.0019 -0.0036 -0.0110 606 VAL 88 H -0.0008 -0.0066 -0.0102 607 VAL 88 HA -0.0029 -0.0046 -0.0086 608 VAL 88 HB -0.0012 -0.0044 -0.0115 609 VAL 88 HG11 -0.0025 -0.0019 -0.0116 610 VAL 88 HG12 -0.0025 -0.0028 -0.0107 611 VAL 88 HG13 -0.0034 -0.0022 -0.0099 612 VAL 88 HG21 -0.0017 -0.0028 -0.0120 613 VAL 88 HG22 -0.0026 -0.0031 -0.0103 614 VAL 88 HG23 -0.0014 -0.0044 -0.0111 615 ILE 89 N -0.0030 -0.0049 -0.0082 616 ILE 89 CA -0.0032 -0.0049 -0.0080 617 ILE 89 C -0.0039 -0.0035 -0.0080 618 ILE 89 O -0.0046 -0.0028 -0.0076 619 ILE 89 CB -0.0035 -0.0060 -0.0066 620 ILE 89 CG1 -0.0026 -0.0074 -0.0067 621 ILE 89 CG2 -0.0039 -0.0058 -0.0061 622 ILE 89 CD1 -0.0029 -0.0085 -0.0054 623 ILE 89 H -0.0036 -0.0044 -0.0078 624 ILE 89 HA -0.0025 -0.0052 -0.0087 625 ILE 89 HB -0.0040 -0.0058 -0.0059 626 ILE 89 HG13 -0.0023 -0.0075 -0.0071 627 ILE 89 HG12 -0.0020 -0.0076 -0.0074 628 ILE 89 HG21 -0.0041 -0.0065 -0.0052 629 ILE 89 HG22 -0.0045 -0.0048 -0.0060 630 ILE 89 HG23 -0.0033 -0.0060 -0.0068 631 ILE 89 HD11 -0.0023 -0.0094 -0.0055 632 ILE 89 HD12 -0.0036 -0.0081 -0.0047 633 ILE 89 HD13 -0.0028 -0.0088 -0.0052 634 TRP 90 N 0.0020 -0.0031 -0.0122 635 TRP 90 CA 0.0012 -0.0016 -0.0122 636 TRP 90 C 0.0004 -0.0025 -0.0112 637 TRP 90 O 0.0013 -0.0037 -0.0113 638 TRP 90 CB 0.0025 -0.0006 -0.0137 639 TRP 90 CG 0.0032 0.0007 -0.0148 640 TRP 90 CD1 0.0046 0.0000 -0.0156 641 TRP 90 CD2 0.0025 0.0027 -0.0151 642 TRP 90 NE1 0.0048 0.0016 -0.0165 643 TRP 90 CE2 0.0036 0.0033 -0.0162 644 TRP 90 CE3 0.0011 0.0042 -0.0146 645 TRP 90 CZ2 0.0033 0.0052 -0.0169 646 TRP 90 CZ3 0.0007 0.0061 -0.0153 647 TRP 90 CH2 0.0018 0.0066 -0.0164 648 TRP 90 H 0.0029 -0.0042 -0.0124 649 TRP 90 HA 0.0003 -0.0005 -0.0120 650 TRP 90 HB3 0.0020 0.0004 -0.0137 651 TRP 90 HB2 0.0036 -0.0017 -0.0140 652 TRP 90 HD1 0.0054 -0.0014 -0.0156 653 TRP 90 HE1 0.0059 0.0015 -0.0173 654 TRP 90 HE3 0.0002 0.0038 -0.0138 655 TRP 90 HZ2 0.0041 0.0056 -0.0177 656 TRP 90 HZ3 -0.0004 0.0072 -0.0149 657 TRP 90 HH2 0.0016 0.0081 -0.0168 658 GLU 91 N -0.0012 -0.0019 -0.0101 659 GLU 91 CA -0.0022 -0.0027 -0.0090 660 GLU 91 C -0.0029 -0.0012 -0.0091 661 GLU 91 O -0.0034 0.0006 -0.0095 662 GLU 91 CB -0.0037 -0.0032 -0.0076 663 GLU 91 CG -0.0031 -0.0052 -0.0071 664 GLU 91 CD -0.0041 -0.0055 -0.0062 665 GLU 91 OE1 -0.0054 -0.0042 -0.0058 666 GLU 91 OE2 -0.0035 -0.0071 -0.0060 667 GLU 91 H -0.0019 -0.0009 -0.0100 668 GLU 91 HA -0.0015 -0.0040 -0.0090 669 GLU 91 HB3 -0.0047 -0.0033 -0.0067 670 GLU 91 HB2 -0.0042 -0.0021 -0.0077 671 GLU 91 HG3 -0.0018 -0.0054 -0.0081 672 GLU 91 HG2 -0.0031 -0.0064 -0.0066 673 ALA 92 N 0.0012 -0.0028 -0.0086 674 ALA 92 CA 0.0003 -0.0037 -0.0085 675 ALA 92 C -0.0015 -0.0042 -0.0090 676 ALA 92 O -0.0020 -0.0049 -0.0088 677 ALA 92 CB 0.0010 -0.0051 -0.0072 678 ALA 92 H 0.0017 -0.0034 -0.0080 679 ALA 92 HA 0.0005 -0.0030 -0.0089 680 ALA 92 HB1 0.0003 -0.0057 -0.0071 681 ALA 92 HB2 0.0023 -0.0047 -0.0068 682 ALA 92 HB3 0.0009 -0.0058 -0.0068 683 LYS 93 N -0.0025 -0.0039 -0.0097 684 LYS 93 CA -0.0043 -0.0045 -0.0101 685 LYS 93 C -0.0047 -0.0053 -0.0098 686 LYS 93 O -0.0043 -0.0047 -0.0100 687 LYS 93 CB -0.0051 -0.0032 -0.0114 688 LYS 93 CG -0.0070 -0.0036 -0.0120 689 LYS 93 CD -0.0076 -0.0022 -0.0133 690 LYS 93 CE -0.0095 -0.0026 -0.0139 691 LYS 93 NZ -0.0100 -0.0012 -0.0152 692 LYS 93 H -0.0020 -0.0033 -0.0099 693 LYS 93 HA -0.0046 -0.0053 -0.0098 694 LYS 93 HB3 -0.0047 -0.0024 -0.0118 695 LYS 93 HB2 -0.0046 -0.0025 -0.0116 696 LYS 93 HG3 -0.0073 -0.0043 -0.0117 697 LYS 93 HG2 -0.0075 -0.0043 -0.0118 698 LYS 93 HD3 -0.0073 -0.0017 -0.0135 699 LYS 93 HD2 -0.0070 -0.0015 -0.0135 700 LYS 93 HE3 -0.0098 -0.0032 -0.0137 701 LYS 93 HE2 -0.0101 -0.0033 -0.0138 702 LYS 93 HZ1 -0.0098 -0.0007 -0.0154 703 LYS 93 HZ2 -0.0113 -0.0014 -0.0156 704 LYS 93 HZ3 -0.0095 -0.0005 -0.0154 705 CYS 94 N -0.0019 -0.0051 -0.0060 706 CYS 94 CA -0.0026 -0.0040 -0.0062 707 CYS 94 C -0.0031 -0.0033 -0.0063 708 CYS 94 O -0.0029 -0.0035 -0.0056 709 CYS 94 CB -0.0028 -0.0035 -0.0052 710 CYS 94 SG -0.0021 -0.0044 -0.0047 711 CYS 94 H -0.0016 -0.0054 -0.0052 712 CYS 94 HA -0.0028 -0.0040 -0.0071 713 CYS 94 HB3 -0.0033 -0.0028 -0.0055 714 CYS 94 HB2 -0.0028 -0.0032 -0.0043 715 ARG 95 N -0.0037 -0.0025 -0.0071 716 ARG 95 CA -0.0041 -0.0018 -0.0073 717 ARG 95 C -0.0045 -0.0009 -0.0062 718 ARG 95 O -0.0048 -0.0006 -0.0060 719 ARG 95 CB -0.0047 -0.0013 -0.0085 720 ARG 95 CG -0.0043 -0.0021 -0.0097 721 ARG 95 CD -0.0049 -0.0015 -0.0109 722 ARG 95 NE -0.0046 -0.0022 -0.0120 723 ARG 95 CZ -0.0049 -0.0020 -0.0132 724 ARG 95 NH1 -0.0056 -0.0010 -0.0135 725 ARG 95 NH2 -0.0045 -0.0029 -0.0140 726 ARG 95 H -0.0038 -0.0024 -0.0076 727 ARG 95 HA -0.0038 -0.0023 -0.0073 728 ARG 95 HB3 -0.0050 -0.0008 -0.0086 729 ARG 95 HB2 -0.0050 -0.0007 -0.0084 730 ARG 95 HG3 -0.0040 -0.0026 -0.0096 731 ARG 95 HG2 -0.0040 -0.0026 -0.0097 732 ARG 95 HD3 -0.0051 -0.0011 -0.0111 733 ARG 95 HD2 -0.0053 -0.0008 -0.0108 734 ARG 95 HH22 -0.0047 -0.0028 -0.0149 735 ARG 95 HH21 -0.0039 -0.0036 -0.0136 736 ARG 95 HH12 -0.0058 -0.0009 -0.0144 737 ARG 95 HH11 -0.0059 -0.0004 -0.0129 738 ARG 95 HE -0.0041 -0.0030 -0.0118 739 HIS 96 N -0.0065 0.0063 0.0011 740 HIS 96 CA -0.0064 0.0071 0.0016 741 HIS 96 C -0.0071 0.0058 0.0018 742 HIS 96 O -0.0073 0.0044 0.0010 743 HIS 96 CB -0.0053 0.0082 0.0004 744 HIS 96 CG -0.0046 0.0093 -0.0001 745 HIS 96 ND1 -0.0044 0.0108 0.0009 746 HIS 96 CD2 -0.0040 0.0092 -0.0014 747 HIS 96 CE1 -0.0038 0.0115 0.0002 748 HIS 96 NE2 -0.0035 0.0105 -0.0012 749 HIS 96 H -0.0065 0.0053 0.0002 750 HIS 96 HA -0.0066 0.0079 0.0028 751 HIS 96 HB3 -0.0052 0.0089 0.0008 752 HIS 96 HB2 -0.0051 0.0074 -0.0008 753 HIS 96 HD1 -0.0047 0.0113 0.0020 754 HIS 96 HD2 -0.0039 0.0083 -0.0024 755 HIS 96 HE1 -0.0035 0.0126 0.0007 756 LEU 97 N -0.0073 0.0063 0.0027 757 LEU 97 CA -0.0077 0.0054 0.0028 758 LEU 97 C -0.0070 0.0055 0.0013 759 LEU 97 O -0.0071 0.0043 0.0005 760 LEU 97 CB -0.0082 0.0060 0.0044 761 LEU 97 CG -0.0090 0.0058 0.0059 762 LEU 97 CD1 -0.0093 0.0067 0.0074 763 LEU 97 CD2 -0.0099 0.0040 0.0060 764 LEU 97 H -0.0071 0.0075 0.0034 765 LEU 97 HA -0.0083 0.0041 0.0027 766 LEU 97 HB3 -0.0085 0.0053 0.0044 767 LEU 97 HB2 -0.0077 0.0073 0.0044 768 LEU 97 HG -0.0088 0.0064 0.0058 769 LEU 97 HD11 -0.0099 0.0066 0.0085 770 LEU 97 HD12 -0.0088 0.0080 0.0074 771 LEU 97 HD13 -0.0096 0.0063 0.0075 772 LEU 97 HD21 -0.0106 0.0038 0.0073 773 LEU 97 HD22 -0.0100 0.0032 0.0054 774 LEU 97 HD23 -0.0098 0.0036 0.0055 775 GLY 98 N -0.0065 0.0098 -0.0006 776 GLY 98 CA -0.0058 0.0091 -0.0007 777 GLY 98 C -0.0045 0.0092 -0.0009 778 GLY 98 O -0.0041 0.0097 -0.0010 779 GLY 98 H -0.0067 0.0106 -0.0006 780 GLY 98 HA3 -0.0060 0.0094 -0.0006 781 GLY 98 HA2 -0.0060 0.0081 -0.0005 782 CYS 99 N -0.0037 0.0087 -0.0010 783 CYS 99 CA -0.0024 0.0088 -0.0012 784 CYS 99 C -0.0019 0.0095 -0.0013 785 CYS 99 O -0.0024 0.0094 -0.0012 786 CYS 99 CB -0.0018 0.0075 -0.0012 787 CYS 99 SG -0.0023 0.0065 -0.0010 788 CYS 99 H -0.0041 0.0084 -0.0009 789 CYS 99 HA -0.0021 0.0092 -0.0013 790 CYS 99 HB3 -0.0009 0.0076 -0.0013 791 CYS 99 HB2 -0.0020 0.0071 -0.0011 792 ILE 100 N -0.0052 0.0185 0.0009 793 ILE 100 CA -0.0058 0.0155 0.0027 794 ILE 100 C -0.0080 0.0214 -0.0008 795 ILE 100 O -0.0140 0.0253 -0.0031 796 ILE 100 CB -0.0124 0.0096 0.0064 797 ILE 100 CG1 -0.0114 0.0039 0.0098 798 ILE 100 CG2 -0.0127 0.0060 0.0086 799 ILE 100 CD1 -0.0029 0.0002 0.0119 800 ILE 100 H -0.0103 0.0181 0.0012 801 ILE 100 HA 0.0002 0.0132 0.0040 802 ILE 100 HB -0.0184 0.0120 0.0050 803 ILE 100 HG13 -0.0162 -0.0001 0.0123 804 ILE 100 HG12 -0.0126 0.0062 0.0084 805 ILE 100 HG21 -0.0171 0.0016 0.0113 806 ILE 100 HG22 -0.0147 0.0097 0.0064 807 ILE 100 HG23 -0.0067 0.0039 0.0098 808 ILE 100 HD11 -0.0029 -0.0042 0.0146 809 ILE 100 HD12 -0.0012 -0.0020 0.0132 810 ILE 100 HD13 0.0019 0.0039 0.0097 811 ASN 101 N -0.0030 0.0221 -0.0013 812 ASN 101 CA -0.0041 0.0271 -0.0043 813 ASN 101 C -0.0092 0.0240 -0.0023 814 ASN 101 O -0.0117 0.0178 0.0014 815 ASN 101 CB 0.0044 0.0301 -0.0062 816 ASN 101 CG 0.0102 0.0252 -0.0034 817 ASN 101 OD1 0.0081 0.0193 0.0002 818 ASN 101 ND2 0.0175 0.0278 -0.0050 819 ASN 101 H 0.0018 0.0186 0.0007 820 ASN 101 HA -0.0078 0.0316 -0.0070 821 ASN 101 HB3 0.0077 0.0319 -0.0074 822 ASN 101 HB2 0.0033 0.0348 -0.0091 823 ASN 101 HD22 0.0212 0.0250 -0.0034 824 ASN 101 HD21 0.0193 0.0326 -0.0080 825 ALA 102 N -0.0512 0.0532 0.0099 826 ALA 102 CA -0.0793 0.0500 -0.0001 827 ALA 102 C -0.0801 0.0308 -0.0028 828 ALA 102 O -0.0998 0.0145 -0.0117 829 ALA 102 CB -0.0925 0.0808 -0.0007 830 ALA 102 H -0.0453 0.0740 0.0146 831 ALA 102 HA -0.0922 0.0395 -0.0059 832 ALA 102 HB1 -0.1135 0.0793 -0.0081 833 ALA 102 HB2 -0.0945 0.0940 0.0002 834 ALA 102 HB3 -0.0801 0.0927 0.0050 835 GLY 104 N -0.0186 -0.0118 0.0258 836 GLY 104 CA -0.0256 -0.0262 0.0401 837 GLY 104 C -0.0050 -0.0295 0.0418 838 GLY 104 O -0.0051 -0.0436 0.0553 839 GLY 104 H -0.0269 0.0011 0.0140 840 GLY 104 HA3 -0.0284 -0.0392 0.0527 841 GLY 104 HA2 -0.0438 -0.0221 0.0374 842 ASN 105 N 0.0129 -0.0170 0.0286 843 ASN 105 CA 0.0335 -0.0179 0.0281 844 ASN 105 C 0.0250 -0.0062 0.0175 845 ASN 105 O 0.0091 0.0068 0.0061 846 ASN 105 CB 0.0582 -0.0105 0.0192 847 ASN 105 CG 0.0720 -0.0227 0.0300 848 ASN 105 OD1 0.0942 -0.0198 0.0258 849 ASN 105 ND2 0.0599 -0.0364 0.0440 850 ASN 105 H 0.0109 -0.0049 0.0172 851 ASN 105 HA 0.0373 -0.0323 0.0416 852 ASN 105 HB3 0.0722 -0.0088 0.0167 853 ASN 105 HB2 0.0545 0.0034 0.0063 854 ASN 105 HD22 0.0686 -0.0433 0.0501 855 ASN 105 HD21 0.0411 -0.0380 0.0469 856 VAL 106 N 0.0040 0.0134 0.0032 857 VAL 106 CA 0.0024 0.0139 0.0016 858 VAL 106 C 0.0034 0.0135 -0.0006 859 VAL 106 O 0.0045 0.0131 -0.0009 860 VAL 106 CB 0.0014 0.0144 0.0023 861 VAL 106 CG1 -0.0002 0.0150 0.0006 862 VAL 106 CG2 0.0005 0.0148 0.0045 863 VAL 106 H 0.0048 0.0131 0.0038 864 VAL 106 HA 0.0013 0.0144 0.0016 865 VAL 106 HB 0.0026 0.0139 0.0023 866 VAL 106 HG11 -0.0010 0.0153 0.0012 867 VAL 106 HG12 0.0004 0.0147 -0.0009 868 VAL 106 HG13 -0.0014 0.0154 0.0004 869 VAL 106 HG21 -0.0000 0.0150 0.0050 870 VAL 106 HG22 -0.0008 0.0153 0.0046 871 VAL 106 HG23 0.0016 0.0144 0.0057 872 ASP 107 N 0.0028 0.0137 -0.0021 873 ASP 107 CA 0.0032 0.0135 -0.0044 874 ASP 107 C 0.0016 0.0141 -0.0053 875 ASP 107 O -0.0002 0.0148 -0.0049 876 ASP 107 CB 0.0032 0.0135 -0.0056 877 ASP 107 CG 0.0035 0.0132 -0.0080 878 ASP 107 OD1 0.0044 0.0129 -0.0088 879 ASP 107 OD2 0.0031 0.0134 -0.0091 880 ASP 107 H 0.0018 0.0141 -0.0017 881 ASP 107 HA 0.0047 0.0129 -0.0046 882 ASP 107 HB3 0.0017 0.0140 -0.0053 883 ASP 107 HB2 0.0043 0.0130 -0.0049 884 TYR 108 N -0.0118 0.0104 -0.0061 885 TYR 108 CA -0.0166 0.0090 -0.0049 886 TYR 108 C -0.0175 0.0014 -0.0024 887 TYR 108 O -0.0207 -0.0004 -0.0013 888 TYR 108 CB -0.0236 0.0129 -0.0050 889 TYR 108 CG -0.0278 0.0109 -0.0037 890 TYR 108 CD1 -0.0270 0.0141 -0.0048 891 TYR 108 CD2 -0.0326 0.0057 -0.0013 892 TYR 108 CE1 -0.0309 0.0122 -0.0036 893 TYR 108 CE2 -0.0365 0.0038 -0.0001 894 TYR 108 CZ -0.0356 0.0070 -0.0012 895 TYR 108 OH -0.0391 0.0049 -0.0000 896 TYR 108 H -0.0135 0.0096 -0.0056 897 TYR 108 HA -0.0144 0.0107 -0.0058 898 TYR 108 HB3 -0.0227 0.0183 -0.0068 899 TYR 108 HB2 -0.0269 0.0124 -0.0043 900 TYR 108 HD1 -0.0233 0.0181 -0.0067 901 TYR 108 HD2 -0.0333 0.0032 -0.0004 902 TYR 108 HE1 -0.0301 0.0146 -0.0045 903 TYR 108 HE2 -0.0401 -0.0003 0.0018 904 TYR 108 HH -0.0401 0.0002 0.0016 905 HIS 109 N -0.0147 -0.0030 -0.0015 906 HIS 109 CA -0.0149 -0.0103 0.0009 907 HIS 109 C -0.0096 -0.0131 0.0009 908 HIS 109 O -0.0106 -0.0185 0.0027 909 HIS 109 CB -0.0139 -0.0139 0.0018 910 HIS 109 CG -0.0190 -0.0115 0.0019 911 HIS 109 ND1 -0.0173 -0.0068 0.0002 912 HIS 109 CD2 -0.0257 -0.0132 0.0035 913 HIS 109 CE1 -0.0229 -0.0058 0.0007 914 HIS 109 NE2 -0.0282 -0.0095 0.0027 915 HIS 109 H -0.0121 -0.0013 -0.0024 916 HIS 109 HA -0.0201 -0.0115 0.0021 917 HIS 109 HB3 -0.0142 -0.0193 0.0036 918 HIS 109 HB2 -0.0086 -0.0131 0.0007 919 HIS 109 HD1 -0.0127 -0.0043 -0.0014 920 HIS 109 HD2 -0.0290 -0.0166 0.0051 921 HIS 109 HE1 -0.0230 -0.0022 -0.0004 922 MET 110 N -0.0035 -0.0029 0.0006 923 MET 110 CA -0.0021 -0.0027 0.0008 924 MET 110 C -0.0020 -0.0016 -0.0000 925 MET 110 O -0.0030 -0.0008 -0.0007 926 MET 110 CB -0.0008 -0.0025 0.0009 927 MET 110 CG -0.0008 -0.0037 0.0017 928 MET 110 SD -0.0003 -0.0051 0.0028 929 MET 110 CE 0.0017 -0.0047 0.0029 930 MET 110 H -0.0037 -0.0022 0.0001 931 MET 110 HA -0.0019 -0.0036 0.0014 932 MET 110 HB3 0.0003 -0.0024 0.0010 933 MET 110 HB2 -0.0009 -0.0017 0.0003 934 MET 110 HG3 0.0001 -0.0035 0.0017 935 MET 110 HG2 -0.0019 -0.0039 0.0016 936 MET 110 HE1 0.0023 -0.0055 0.0035 937 MET 110 HE2 0.0022 -0.0045 0.0028 938 MET 110 HE3 0.0020 -0.0039 0.0023 939 ASN 111 N -0.0009 -0.0015 0.0001 940 ASN 111 CA -0.0007 -0.0004 -0.0005 941 ASN 111 C 0.0010 0.0002 -0.0007 942 ASN 111 O 0.0020 -0.0005 -0.0000 943 ASN 111 CB -0.0010 -0.0010 -0.0002 944 ASN 111 CG -0.0026 -0.0015 -0.0002 945 ASN 111 OD1 -0.0028 -0.0021 0.0002 946 ASN 111 ND2 -0.0037 -0.0014 -0.0005 947 ASN 111 H -0.0001 -0.0021 0.0007 948 ASN 111 HA -0.0014 0.0003 -0.0012 949 ASN 111 HB3 -0.0007 -0.0002 -0.0007 950 ASN 111 HB2 -0.0002 -0.0017 0.0004 951 ASN 111 HD22 -0.0048 -0.0018 -0.0004 952 ASN 111 HD21 -0.0036 -0.0010 -0.0007 953 SER 112 N -0.0014 0.0004 -0.0007 954 SER 112 CA -0.0008 -0.0005 -0.0017 955 SER 112 C 0.0003 -0.0015 -0.0009 956 SER 112 O 0.0005 -0.0016 -0.0005 957 SER 112 CB -0.0010 -0.0005 -0.0028 958 SER 112 OG -0.0018 0.0002 -0.0037 959 SER 112 H -0.0016 0.0006 -0.0005 960 SER 112 HA -0.0008 -0.0005 -0.0021 961 SER 112 HB3 -0.0004 -0.0013 -0.0034 962 SER 112 HB2 -0.0011 -0.0003 -0.0024 963 SER 112 HG -0.0023 0.0008 -0.0034 964 VAL 113 N 0.0009 -0.0021 -0.0008 965 VAL 113 CA 0.0019 -0.0031 -0.0002 966 VAL 113 C 0.0025 -0.0040 -0.0013 967 VAL 113 O 0.0023 -0.0039 -0.0021 968 VAL 113 CB 0.0021 -0.0030 0.0010 969 VAL 113 CG1 0.0017 -0.0022 0.0022 970 VAL 113 CG2 0.0019 -0.0029 0.0008 971 VAL 113 H 0.0007 -0.0020 -0.0013 972 VAL 113 HA 0.0020 -0.0031 0.0001 973 VAL 113 HB 0.0029 -0.0038 0.0014 974 VAL 113 HG11 0.0019 -0.0023 0.0031 975 VAL 113 HG12 0.0019 -0.0024 0.0025 976 VAL 113 HG13 0.0009 -0.0015 0.0020 977 VAL 113 HG21 0.0021 -0.0028 0.0017 978 VAL 113 HG22 0.0012 -0.0022 0.0003 979 VAL 113 HG23 0.0024 -0.0035 0.0001 980 PRO 114 N 0.0021 -0.0054 -0.0021 981 PRO 114 CA 0.0022 -0.0057 -0.0024 982 PRO 114 C 0.0024 -0.0054 -0.0020 983 PRO 114 O 0.0028 -0.0051 -0.0016 984 PRO 114 CB 0.0028 -0.0061 -0.0026 985 PRO 114 CG 0.0032 -0.0059 -0.0022 986 PRO 114 CD 0.0026 -0.0055 -0.0020 987 PRO 114 HA 0.0018 -0.0058 -0.0027 988 PRO 114 HB3 0.0026 -0.0064 -0.0029 989 PRO 114 HB2 0.0031 -0.0063 -0.0026 990 PRO 114 HG3 0.0035 -0.0062 -0.0024 991 PRO 114 HG2 0.0035 -0.0057 -0.0019 992 PRO 114 HD2 0.0028 -0.0052 -0.0016 993 PRO 114 HD3 0.0024 -0.0057 -0.0023 994 ILE 115 N 0.0021 -0.0054 -0.0022 995 ILE 115 CA 0.0022 -0.0052 -0.0019 996 ILE 115 C 0.0028 -0.0056 -0.0021 997 ILE 115 O 0.0028 -0.0061 -0.0025 998 ILE 115 CB 0.0017 -0.0051 -0.0021 999 ILE 115 CG1 0.0010 -0.0048 -0.0020 1000 ILE 115 CG2 0.0019 -0.0049 -0.0018 1001 ILE 115 CD1 0.0004 -0.0047 -0.0021 1002 ILE 115 H 0.0018 -0.0057 -0.0025 1003 ILE 115 HA 0.0024 -0.0049 -0.0015 1004 ILE 115 HB 0.0016 -0.0055 -0.0024 1005 ILE 115 HG13 0.0009 -0.0049 -0.0021 1006 ILE 115 HG12 0.0011 -0.0044 -0.0016 1007 ILE 115 HG21 0.0015 -0.0049 -0.0019 1008 ILE 115 HG22 0.0023 -0.0052 -0.0018 1009 ILE 115 HG23 0.0020 -0.0046 -0.0014 1010 ILE 115 HD11 0.0000 -0.0048 -0.0024 1011 ILE 115 HD12 0.0005 -0.0050 -0.0023 1012 ILE 115 HD13 0.0003 -0.0043 -0.0018 1013 GLN 116 N 0.0035 -0.0044 -0.0027 1014 GLN 116 CA 0.0031 -0.0043 -0.0026 1015 GLN 116 C 0.0022 -0.0036 -0.0028 1016 GLN 116 O 0.0022 -0.0029 -0.0034 1017 GLN 116 CB 0.0041 -0.0042 -0.0031 1018 GLN 116 CG 0.0051 -0.0049 -0.0030 1019 GLN 116 CD 0.0057 -0.0053 -0.0029 1020 GLN 116 OE1 0.0057 -0.0048 -0.0033 1021 GLN 116 NE2 0.0063 -0.0061 -0.0025 1022 GLN 116 H 0.0038 -0.0039 -0.0032 1023 GLN 116 HA 0.0030 -0.0049 -0.0020 1024 GLN 116 HB3 0.0038 -0.0043 -0.0030 1025 GLN 116 HB2 0.0042 -0.0036 -0.0037 1026 GLN 116 HG3 0.0056 -0.0046 -0.0034 1027 GLN 116 HG2 0.0050 -0.0055 -0.0024 1028 GLN 116 HE22 0.0067 -0.0063 -0.0024 1029 GLN 116 HE21 0.0062 -0.0065 -0.0021 1030 GLN 117 N 0.0014 -0.0037 -0.0024 1031 GLN 117 CA 0.0004 -0.0031 -0.0025 1032 GLN 117 C 0.0002 -0.0029 -0.0025 1033 GLN 117 O 0.0004 -0.0036 -0.0020 1034 GLN 117 CB -0.0005 -0.0034 -0.0018 1035 GLN 117 CG -0.0005 -0.0034 -0.0018 1036 GLN 117 CD -0.0007 -0.0025 -0.0025 1037 GLN 117 OE1 -0.0011 -0.0018 -0.0029 1038 GLN 117 NE2 -0.0005 -0.0024 -0.0027 1039 GLN 117 H 0.0015 -0.0043 -0.0019 1040 GLN 117 HA 0.0004 -0.0024 -0.0031 1041 GLN 117 HB3 -0.0012 -0.0030 -0.0019 1042 GLN 117 HB2 -0.0005 -0.0040 -0.0013 1043 GLN 117 HG3 -0.0011 -0.0037 -0.0013 1044 GLN 117 HG2 0.0002 -0.0038 -0.0018 1045 GLN 117 HE22 -0.0007 -0.0018 -0.0031 1046 GLN 117 HE21 -0.0002 -0.0029 -0.0024 1047 GLU 118 N -0.0015 0.0025 -0.0021 1048 GLU 118 CA -0.0015 0.0025 -0.0021 1049 GLU 118 C -0.0028 0.0017 -0.0018 1050 GLU 118 O -0.0041 0.0023 -0.0018 1051 GLU 118 CB -0.0013 0.0040 -0.0025 1052 GLU 118 CG 0.0002 0.0046 -0.0028 1053 GLU 118 CD 0.0003 0.0060 -0.0032 1054 GLU 118 OE1 -0.0009 0.0068 -0.0032 1055 GLU 118 OE2 0.0014 0.0063 -0.0034 1056 GLU 118 H -0.0019 0.0034 -0.0023 1057 GLU 118 HA -0.0005 0.0018 -0.0021 1058 GLU 118 HB3 -0.0019 0.0041 -0.0025 1059 GLU 118 HB2 -0.0020 0.0047 -0.0026 1060 GLU 118 HG3 0.0007 0.0047 -0.0029 1061 GLU 118 HG2 0.0009 0.0038 -0.0028 1062 ILE 119 N -0.0026 0.0005 -0.0015 1063 ILE 119 CA -0.0038 -0.0003 -0.0012 1064 ILE 119 C -0.0035 -0.0005 -0.0012 1065 ILE 119 O -0.0022 -0.0007 -0.0013 1066 ILE 119 CB -0.0039 -0.0019 -0.0009 1067 ILE 119 CG1 -0.0045 -0.0017 -0.0008 1068 ILE 119 CG2 -0.0046 -0.0030 -0.0005 1069 ILE 119 CD1 -0.0061 -0.0012 -0.0007 1070 ILE 119 H -0.0016 0.0001 -0.0016 1071 ILE 119 HA -0.0048 0.0002 -0.0012 1072 ILE 119 HB -0.0027 -0.0022 -0.0009 1073 ILE 119 HG13 -0.0044 -0.0028 -0.0006 1074 ILE 119 HG12 -0.0038 -0.0010 -0.0010 1075 ILE 119 HG21 -0.0047 -0.0040 -0.0003 1076 ILE 119 HG22 -0.0040 -0.0033 -0.0005 1077 ILE 119 HG23 -0.0057 -0.0027 -0.0004 1078 ILE 119 HD11 -0.0066 -0.0015 -0.0006 1079 ILE 119 HD12 -0.0068 -0.0016 -0.0005 1080 ILE 119 HD13 -0.0062 -0.0000 -0.0010 1081 LEU 120 N -0.0063 0.0018 0.0015 1082 LEU 120 CA -0.0057 0.0016 0.0013 1083 LEU 120 C -0.0060 -0.0002 0.0012 1084 LEU 120 O -0.0073 -0.0010 0.0014 1085 LEU 120 CB -0.0067 0.0027 0.0016 1086 LEU 120 CG -0.0064 0.0045 0.0017 1087 LEU 120 CD1 -0.0076 0.0055 0.0020 1088 LEU 120 CD2 -0.0046 0.0050 0.0014 1089 LEU 120 H -0.0076 0.0018 0.0017 1090 LEU 120 HA -0.0045 0.0019 0.0011 1091 LEU 120 HB3 -0.0064 0.0024 0.0015 1092 LEU 120 HB2 -0.0080 0.0024 0.0018 1093 LEU 120 HG -0.0066 0.0048 0.0018 1094 LEU 120 HD11 -0.0074 0.0068 0.0021 1095 LEU 120 HD12 -0.0088 0.0052 0.0023 1096 LEU 120 HD13 -0.0073 0.0054 0.0020 1097 LEU 120 HD21 -0.0045 0.0064 0.0015 1098 LEU 120 HD22 -0.0042 0.0044 0.0013 1099 LEU 120 HD23 -0.0038 0.0048 0.0012 1100 VAL 121 N -0.0049 -0.0009 0.0009 1101 VAL 121 CA -0.0050 -0.0025 0.0008 1102 VAL 121 C -0.0044 -0.0023 0.0007 1103 VAL 121 O -0.0034 -0.0012 0.0006 1104 VAL 121 CB -0.0039 -0.0038 0.0005 1105 VAL 121 CG1 -0.0046 -0.0041 0.0006 1106 VAL 121 CG2 -0.0021 -0.0034 0.0001 1107 VAL 121 H -0.0038 -0.0003 0.0008 1108 VAL 121 HA -0.0062 -0.0030 0.0010 1109 VAL 121 HB -0.0041 -0.0050 0.0004 1110 VAL 121 HG11 -0.0040 -0.0051 0.0004 1111 VAL 121 HG12 -0.0059 -0.0045 0.0008 1112 VAL 121 HG13 -0.0046 -0.0030 0.0007 1113 VAL 121 HG21 -0.0015 -0.0043 -0.0001 1114 VAL 121 HG22 -0.0019 -0.0022 0.0002 1115 VAL 121 HG23 -0.0015 -0.0034 0.0000 1116 LEU 122 N -0.0043 -0.0029 0.0021 1117 LEU 122 CA -0.0044 -0.0028 0.0021 1118 LEU 122 C -0.0037 -0.0035 0.0021 1119 LEU 122 O -0.0036 -0.0042 0.0025 1120 LEU 122 CB -0.0053 -0.0031 0.0026 1121 LEU 122 CG -0.0062 -0.0025 0.0026 1122 LEU 122 CD1 -0.0070 -0.0029 0.0031 1123 LEU 122 CD2 -0.0062 -0.0016 0.0022 1124 LEU 122 H -0.0045 -0.0034 0.0024 1125 LEU 122 HA -0.0044 -0.0022 0.0018 1126 LEU 122 HB3 -0.0054 -0.0032 0.0026 1127 LEU 122 HB2 -0.0053 -0.0038 0.0029 1128 LEU 122 HG -0.0061 -0.0025 0.0026 1129 LEU 122 HD11 -0.0075 -0.0028 0.0032 1130 LEU 122 HD12 -0.0069 -0.0036 0.0033 1131 LEU 122 HD13 -0.0073 -0.0026 0.0031 1132 LEU 122 HD21 -0.0068 -0.0012 0.0022 1133 LEU 122 HD22 -0.0062 -0.0016 0.0022 1134 LEU 122 HD23 -0.0057 -0.0013 0.0018 1135 ARG 123 N -0.0031 -0.0031 0.0018 1136 ARG 123 CA -0.0025 -0.0037 0.0018 1137 ARG 123 C -0.0029 -0.0037 0.0020 1138 ARG 123 O -0.0033 -0.0030 0.0018 1139 ARG 123 CB -0.0016 -0.0034 0.0014 1140 ARG 123 CG -0.0009 -0.0040 0.0014 1141 ARG 123 CD 0.0001 -0.0040 0.0010 1142 ARG 123 NE 0.0003 -0.0042 0.0011 1143 ARG 123 CZ 0.0004 -0.0050 0.0014 1144 ARG 123 NH1 0.0003 -0.0057 0.0018 1145 ARG 123 NH2 0.0005 -0.0050 0.0013 1146 ARG 123 H -0.0032 -0.0025 0.0015 1147 ARG 123 HA -0.0024 -0.0044 0.0021 1148 ARG 123 HB3 -0.0016 -0.0027 0.0011 1149 ARG 123 HB2 -0.0013 -0.0034 0.0013 1150 ARG 123 HG3 -0.0011 -0.0047 0.0018 1151 ARG 123 HG2 -0.0011 -0.0038 0.0014 1152 ARG 123 HD3 0.0005 -0.0044 0.0011 1153 ARG 123 HD2 0.0002 -0.0033 0.0007 1154 ARG 123 HH22 0.0006 -0.0056 0.0016 1155 ARG 123 HH21 0.0005 -0.0044 0.0011 1156 ARG 123 HH12 0.0003 -0.0063 0.0020 1157 ARG 123 HH11 0.0002 -0.0058 0.0018 1158 ARG 123 HE 0.0004 -0.0037 0.0008 1159 ARG 124 N -0.0068 -0.0037 0.0050 1160 ARG 124 CA -0.0068 -0.0044 0.0051 1161 ARG 124 C -0.0064 -0.0045 0.0055 1162 ARG 124 O -0.0059 -0.0042 0.0059 1163 ARG 124 CB -0.0067 -0.0050 0.0052 1164 ARG 124 CG -0.0071 -0.0050 0.0048 1165 ARG 124 CD -0.0070 -0.0056 0.0049 1166 ARG 124 NE -0.0074 -0.0055 0.0046 1167 ARG 124 CZ -0.0079 -0.0057 0.0041 1168 ARG 124 NH1 -0.0082 -0.0060 0.0039 1169 ARG 124 NH2 -0.0081 -0.0055 0.0039 1170 ARG 124 H -0.0067 -0.0036 0.0051 1171 ARG 124 HA -0.0072 -0.0046 0.0047 1172 ARG 124 HB3 -0.0067 -0.0055 0.0053 1173 ARG 124 HB2 -0.0063 -0.0048 0.0055 1174 ARG 124 HG3 -0.0072 -0.0045 0.0047 1175 ARG 124 HG2 -0.0075 -0.0052 0.0045 1176 ARG 124 HD3 -0.0071 -0.0061 0.0049 1177 ARG 124 HD2 -0.0066 -0.0056 0.0053 1178 ARG 124 HH22 -0.0085 -0.0057 0.0035 1179 ARG 124 HH21 -0.0079 -0.0052 0.0041 1180 ARG 124 HH12 -0.0086 -0.0061 0.0035 1181 ARG 124 HH11 -0.0080 -0.0061 0.0041 1182 ARG 124 HE -0.0072 -0.0053 0.0048 1183 GLU 125 N -0.0065 -0.0047 0.0054 1184 GLU 125 CA -0.0061 -0.0049 0.0057 1185 GLU 125 C -0.0063 -0.0056 0.0056 1186 GLU 125 O -0.0068 -0.0056 0.0052 1187 GLU 125 CB -0.0061 -0.0042 0.0057 1188 GLU 125 CG -0.0057 -0.0043 0.0060 1189 GLU 125 CD -0.0057 -0.0036 0.0061 1190 GLU 125 OE1 -0.0055 -0.0030 0.0061 1191 GLU 125 OE2 -0.0057 -0.0036 0.0060 1192 GLU 125 H -0.0069 -0.0050 0.0050 1193 GLU 125 HA -0.0057 -0.0049 0.0061 1194 GLU 125 HB3 -0.0065 -0.0041 0.0053 1195 GLU 125 HB2 -0.0060 -0.0037 0.0057 1196 GLU 125 HG3 -0.0054 -0.0044 0.0064 1197 GLU 125 HG2 -0.0059 -0.0047 0.0059 1198 PRO 126 N -0.0111 -0.0081 0.0094 1199 PRO 126 CA -0.0117 -0.0077 0.0096 1200 PRO 126 C -0.0115 -0.0071 0.0096 1201 PRO 126 O -0.0109 -0.0069 0.0095 1202 PRO 126 CB -0.0121 -0.0075 0.0097 1203 PRO 126 CG -0.0116 -0.0074 0.0096 1204 PRO 126 CD -0.0111 -0.0080 0.0094 1205 PRO 126 HA -0.0120 -0.0081 0.0096 1206 PRO 126 HB3 -0.0125 -0.0079 0.0097 1207 PRO 126 HB2 -0.0124 -0.0070 0.0098 1208 PRO 126 HG3 -0.0118 -0.0075 0.0096 1209 PRO 126 HG2 -0.0113 -0.0069 0.0096 1210 PRO 126 HD2 -0.0106 -0.0079 0.0093 1211 PRO 126 HD3 -0.0113 -0.0085 0.0094 1212 PRO 127 N -0.0120 -0.0068 0.0098 1213 PRO 127 CA -0.0118 -0.0062 0.0098 1214 PRO 127 C -0.0115 -0.0055 0.0098 1215 PRO 127 O -0.0117 -0.0054 0.0099 1216 PRO 127 CB -0.0125 -0.0060 0.0100 1217 PRO 127 CG -0.0129 -0.0067 0.0100 1218 PRO 127 CD -0.0127 -0.0070 0.0099 1219 PRO 127 HA -0.0115 -0.0063 0.0097 1220 PRO 127 HB3 -0.0125 -0.0057 0.0100 1221 PRO 127 HB2 -0.0128 -0.0056 0.0101 1222 PRO 127 HG3 -0.0128 -0.0070 0.0099 1223 PRO 127 HG2 -0.0135 -0.0066 0.0101 1224 PRO 127 HD2 -0.0130 -0.0069 0.0100 1225 PRO 127 HD3 -0.0127 -0.0076 0.0098 1226 HIS 128 N -0.0127 -0.0046 0.0074 1227 HIS 128 CA -0.0119 -0.0035 0.0077 1228 HIS 128 C -0.0109 -0.0035 0.0078 1229 HIS 128 O -0.0103 -0.0026 0.0081 1230 HIS 128 CB -0.0128 -0.0023 0.0077 1231 HIS 128 CG -0.0139 -0.0022 0.0075 1232 HIS 128 ND1 -0.0138 -0.0026 0.0075 1233 HIS 128 CD2 -0.0151 -0.0018 0.0074 1234 HIS 128 CE1 -0.0149 -0.0025 0.0073 1235 HIS 128 NE2 -0.0158 -0.0020 0.0072 1236 HIS 128 H -0.0125 -0.0051 0.0074 1237 HIS 128 HA -0.0114 -0.0034 0.0078 1238 HIS 128 HB3 -0.0122 -0.0014 0.0079 1239 HIS 128 HB2 -0.0132 -0.0021 0.0077 1240 HIS 128 HD1 -0.0130 -0.0031 0.0076 1241 HIS 128 HD2 -0.0156 -0.0014 0.0073 1242 HIS 128 HE1 -0.0151 -0.0028 0.0072 1243 SER 129 N -0.0108 -0.0046 0.0077 1244 SER 129 CA -0.0099 -0.0047 0.0079 1245 SER 129 C -0.0085 -0.0047 0.0081 1246 SER 129 O -0.0082 -0.0054 0.0081 1247 SER 129 CB -0.0101 -0.0060 0.0077 1248 SER 129 OG -0.0092 -0.0061 0.0078 1249 SER 129 H -0.0114 -0.0053 0.0075 1250 SER 129 HA -0.0101 -0.0039 0.0079 1251 SER 129 HB3 -0.0100 -0.0068 0.0076 1252 SER 129 HB2 -0.0110 -0.0060 0.0075 1253 SER 129 HG -0.0093 -0.0068 0.0077 1254 PRO 130 N -0.0080 -0.0021 0.0082 1255 PRO 130 CA -0.0072 -0.0017 0.0073 1256 PRO 130 C -0.0065 -0.0026 0.0070 1257 PRO 130 O -0.0060 -0.0023 0.0064 1258 PRO 130 CB -0.0067 -0.0012 0.0067 1259 PRO 130 CG -0.0069 -0.0021 0.0071 1260 PRO 130 CD -0.0079 -0.0023 0.0081 1261 PRO 130 HA -0.0074 -0.0008 0.0073 1262 PRO 130 HB3 -0.0070 -0.0003 0.0067 1263 PRO 130 HB2 -0.0059 -0.0013 0.0060 1264 PRO 130 HG3 -0.0068 -0.0018 0.0069 1265 PRO 130 HG2 -0.0064 -0.0030 0.0069 1266 PRO 130 HD2 -0.0080 -0.0032 0.0085 1267 PRO 130 HD3 -0.0084 -0.0016 0.0084 1268 ASN 131 N -0.0065 -0.0039 0.0074 1269 ASN 131 CA -0.0058 -0.0049 0.0069 1270 ASN 131 C -0.0061 -0.0060 0.0076 1271 ASN 131 O -0.0055 -0.0069 0.0073 1272 ASN 131 CB -0.0051 -0.0053 0.0064 1273 ASN 131 CG -0.0054 -0.0060 0.0069 1274 ASN 131 OD1 -0.0062 -0.0061 0.0077 1275 ASN 131 ND2 -0.0047 -0.0066 0.0065 1276 ASN 131 H -0.0070 -0.0041 0.0079 1277 ASN 131 HA -0.0054 -0.0045 0.0065 1278 ASN 131 HB3 -0.0049 -0.0045 0.0059 1279 ASN 131 HB2 -0.0044 -0.0058 0.0059 1280 ASN 131 HD22 -0.0049 -0.0071 0.0068 1281 ASN 131 HD21 -0.0040 -0.0066 0.0058 1282 SER 132 N -0.0063 -0.0056 0.0046 1283 SER 132 CA -0.0063 -0.0056 0.0047 1284 SER 132 C -0.0060 -0.0050 0.0050 1285 SER 132 O -0.0058 -0.0048 0.0055 1286 SER 132 CB -0.0064 -0.0062 0.0051 1287 SER 132 OG -0.0062 -0.0062 0.0057 1288 SER 132 H -0.0062 -0.0055 0.0050 1289 SER 132 HA -0.0064 -0.0056 0.0042 1290 SER 132 HB3 -0.0066 -0.0066 0.0049 1291 SER 132 HB2 -0.0064 -0.0062 0.0051 1292 SER 132 HG -0.0061 -0.0059 0.0060 1293 PHE 133 N -0.0060 -0.0046 0.0046 1294 PHE 133 CA -0.0057 -0.0039 0.0048 1295 PHE 133 C -0.0057 -0.0038 0.0048 1296 PHE 133 O -0.0059 -0.0042 0.0045 1297 PHE 133 CB -0.0057 -0.0035 0.0043 1298 PHE 133 CG -0.0057 -0.0035 0.0042 1299 PHE 133 CD1 -0.0059 -0.0039 0.0039 1300 PHE 133 CD2 -0.0055 -0.0031 0.0046 1301 PHE 133 CE1 -0.0060 -0.0040 0.0038 1302 PHE 133 CE2 -0.0055 -0.0031 0.0045 1303 PHE 133 CZ -0.0057 -0.0036 0.0042 1304 PHE 133 H -0.0061 -0.0047 0.0042 1305 PHE 133 HA -0.0056 -0.0038 0.0052 1306 PHE 133 HB3 -0.0055 -0.0030 0.0043 1307 PHE 133 HB2 -0.0058 -0.0036 0.0038 1308 PHE 133 HD1 -0.0061 -0.0043 0.0036 1309 PHE 133 HD2 -0.0053 -0.0027 0.0048 1310 PHE 133 HE1 -0.0061 -0.0043 0.0036 1311 PHE 133 HE2 -0.0053 -0.0028 0.0048 1312 PHE 133 HZ -0.0058 -0.0036 0.0041 1313 ARG 134 N -0.0027 -0.0015 0.0033 1314 ARG 134 CA -0.0026 -0.0003 0.0036 1315 ARG 134 C -0.0033 0.0001 0.0036 1316 ARG 134 O -0.0033 -0.0004 0.0034 1317 ARG 134 CB -0.0014 -0.0000 0.0039 1318 ARG 134 CG -0.0013 0.0012 0.0041 1319 ARG 134 CD -0.0001 0.0015 0.0044 1320 ARG 134 NE 0.0006 0.0012 0.0045 1321 ARG 134 CZ 0.0011 0.0018 0.0047 1322 ARG 134 NH1 0.0009 0.0028 0.0048 1323 ARG 134 NH2 0.0018 0.0013 0.0047 1324 ARG 134 H -0.0026 -0.0019 0.0033 1325 ARG 134 HA -0.0030 0.0001 0.0036 1326 ARG 134 HB3 -0.0011 -0.0004 0.0039 1327 ARG 134 HB2 -0.0010 -0.0004 0.0039 1328 ARG 134 HG3 -0.0014 0.0015 0.0042 1329 ARG 134 HG2 -0.0018 0.0017 0.0041 1330 ARG 134 HD3 -0.0001 0.0024 0.0046 1331 ARG 134 HD2 0.0002 0.0011 0.0044 1332 ARG 134 HH22 0.0024 0.0017 0.0049 1333 ARG 134 HH21 0.0018 0.0005 0.0045 1334 ARG 134 HH12 0.0013 0.0033 0.0050 1335 ARG 134 HH11 0.0003 0.0032 0.0048 1336 ARG 134 HE 0.0008 0.0004 0.0043 1337 LEU 135 N -0.0037 0.0011 0.0037 1338 LEU 135 CA -0.0041 0.0017 0.0037 1339 LEU 135 C -0.0032 0.0019 0.0040 1340 LEU 135 O -0.0024 0.0024 0.0042 1341 LEU 135 CB -0.0047 0.0027 0.0038 1342 LEU 135 CG -0.0059 0.0026 0.0036 1343 LEU 135 CD1 -0.0063 0.0037 0.0038 1344 LEU 135 CD2 -0.0066 0.0022 0.0034 1345 LEU 135 H -0.0037 0.0015 0.0038 1346 LEU 135 HA -0.0047 0.0012 0.0035 1347 LEU 135 HB3 -0.0047 0.0033 0.0040 1348 LEU 135 HB2 -0.0042 0.0031 0.0040 1349 LEU 135 HG -0.0058 0.0021 0.0035 1350 LEU 135 HD11 -0.0071 0.0037 0.0036 1351 LEU 135 HD12 -0.0058 0.0041 0.0039 1352 LEU 135 HD13 -0.0063 0.0043 0.0039 1353 LEU 135 HD21 -0.0074 0.0020 0.0032 1354 LEU 135 HD22 -0.0068 0.0028 0.0035 1355 LEU 135 HD23 -0.0063 0.0015 0.0033 1356 GLU 136 N -0.0027 0.0007 0.0016 1357 GLU 136 CA -0.0009 0.0007 0.0011 1358 GLU 136 C -0.0013 0.0009 0.0011 1359 GLU 136 O -0.0026 0.0001 0.0017 1360 GLU 136 CB 0.0002 -0.0012 0.0012 1361 GLU 136 CG 0.0020 -0.0016 0.0008 1362 GLU 136 CD 0.0032 -0.0033 0.0008 1363 GLU 136 OE1 0.0034 -0.0048 0.0011 1364 GLU 136 OE2 0.0040 -0.0031 0.0006 1365 GLU 136 H -0.0036 -0.0001 0.0020 1366 GLU 136 HA -0.0000 0.0018 0.0006 1367 GLU 136 HB3 -0.0007 -0.0024 0.0017 1368 GLU 136 HB2 0.0005 -0.0012 0.0011 1369 GLU 136 HG3 0.0029 -0.0003 0.0003 1370 GLU 136 HG2 0.0018 -0.0018 0.0009 1371 LYS 137 N -0.0001 0.0020 0.0006 1372 LYS 137 CA -0.0003 0.0023 0.0006 1373 LYS 137 C 0.0013 0.0010 0.0004 1374 LYS 137 O 0.0029 0.0012 -0.0001 1375 LYS 137 CB -0.0002 0.0044 0.0001 1376 LYS 137 CG -0.0010 0.0048 0.0002 1377 LYS 137 CD -0.0005 0.0067 -0.0004 1378 LYS 137 CE -0.0013 0.0086 -0.0006 1379 LYS 137 NZ -0.0008 0.0102 -0.0011 1380 LYS 137 H 0.0010 0.0025 0.0001 1381 LYS 137 HA -0.0017 0.0018 0.0011 1382 LYS 137 HB3 0.0012 0.0048 -0.0004 1383 LYS 137 HB2 -0.0011 0.0052 0.0001 1384 LYS 137 HG3 -0.0026 0.0047 0.0006 1385 LYS 137 HG2 -0.0006 0.0037 0.0003 1386 LYS 137 HD3 -0.0012 0.0067 -0.0002 1387 LYS 137 HD2 0.0010 0.0067 -0.0008 1388 LYS 137 HE3 -0.0007 0.0088 -0.0008 1389 LYS 137 HE2 -0.0028 0.0086 -0.0002 1390 LYS 137 HZ1 0.0006 0.0103 -0.0015 1391 LYS 137 HZ2 -0.0011 0.0099 -0.0009 1392 LYS 137 HZ3 -0.0015 0.0115 -0.0012 1393 ILE 138 N -0.0005 -0.0012 -0.0024 1394 ILE 138 CA 0.0007 -0.0025 -0.0025 1395 ILE 138 C 0.0005 -0.0024 -0.0024 1396 ILE 138 O -0.0007 -0.0015 -0.0023 1397 ILE 138 CB 0.0004 -0.0043 -0.0017 1398 ILE 138 CG1 -0.0013 -0.0048 -0.0007 1399 ILE 138 CG2 0.0009 -0.0045 -0.0018 1400 ILE 138 CD1 -0.0013 -0.0068 0.0001 1401 ILE 138 H -0.0017 -0.0012 -0.0019 1402 ILE 138 HA 0.0019 -0.0023 -0.0031 1403 ILE 138 HB 0.0014 -0.0053 -0.0017 1404 ILE 138 HG13 -0.0017 -0.0044 -0.0007 1405 ILE 138 HG12 -0.0022 -0.0042 -0.0005 1406 ILE 138 HG21 0.0009 -0.0059 -0.0013 1407 ILE 138 HG22 0.0021 -0.0042 -0.0025 1408 ILE 138 HG23 -0.0000 -0.0038 -0.0017 1409 ILE 138 HD11 -0.0025 -0.0070 0.0007 1410 ILE 138 HD12 -0.0003 -0.0075 -0.0001 1411 ILE 138 HD13 -0.0012 -0.0073 0.0002 1412 LEU 139 N 0.0017 -0.0034 -0.0026 1413 LEU 139 CA 0.0018 -0.0034 -0.0026 1414 LEU 139 C 0.0016 -0.0052 -0.0019 1415 LEU 139 O 0.0027 -0.0064 -0.0019 1416 LEU 139 CB 0.0035 -0.0029 -0.0036 1417 LEU 139 CG 0.0036 -0.0023 -0.0039 1418 LEU 139 CD1 0.0024 -0.0006 -0.0040 1419 LEU 139 CD2 0.0054 -0.0021 -0.0048 1420 LEU 139 H 0.0026 -0.0043 -0.0027 1421 LEU 139 HA 0.0008 -0.0025 -0.0025 1422 LEU 139 HB3 0.0045 -0.0040 -0.0037 1423 LEU 139 HB2 0.0038 -0.0019 -0.0041 1424 LEU 139 HG 0.0032 -0.0033 -0.0034 1425 LEU 139 HD11 0.0031 0.0003 -0.0047 1426 LEU 139 HD12 0.0014 -0.0008 -0.0035 1427 LEU 139 HD13 0.0019 0.0000 -0.0040 1428 LEU 139 HD21 0.0055 -0.0017 -0.0050 1429 LEU 139 HD22 0.0059 -0.0012 -0.0054 1430 LEU 139 HD23 0.0062 -0.0033 -0.0047 1431 VAL 140 N -0.0002 -0.0062 -0.0038 1432 VAL 140 CA -0.0002 -0.0065 -0.0035 1433 VAL 140 C -0.0000 -0.0064 -0.0036 1434 VAL 140 O -0.0002 -0.0061 -0.0039 1435 VAL 140 CB -0.0008 -0.0067 -0.0034 1436 VAL 140 CG1 -0.0009 -0.0070 -0.0031 1437 VAL 140 CG2 -0.0010 -0.0068 -0.0032 1438 VAL 140 H -0.0005 -0.0059 -0.0040 1439 VAL 140 HA 0.0000 -0.0068 -0.0033 1440 VAL 140 HB -0.0011 -0.0064 -0.0035 1441 VAL 140 HG11 -0.0014 -0.0071 -0.0030 1442 VAL 140 HG12 -0.0009 -0.0069 -0.0032 1443 VAL 140 HG13 -0.0007 -0.0073 -0.0029 1444 VAL 140 HG21 -0.0015 -0.0069 -0.0031 1445 VAL 140 HG22 -0.0008 -0.0071 -0.0030 1446 VAL 140 HG23 -0.0010 -0.0066 -0.0034 1447 SER 141 N 0.0003 -0.0067 -0.0035 1448 SER 141 CA 0.0005 -0.0067 -0.0035 1449 SER 141 C 0.0000 -0.0069 -0.0033 1450 SER 141 O -0.0000 -0.0073 -0.0030 1451 SER 141 CB 0.0010 -0.0069 -0.0034 1452 SER 141 OG 0.0014 -0.0067 -0.0036 1453 SER 141 H 0.0004 -0.0070 -0.0032 1454 SER 141 HA 0.0005 -0.0063 -0.0038 1455 SER 141 HB3 0.0011 -0.0070 -0.0034 1456 SER 141 HB2 0.0011 -0.0073 -0.0031 1457 SER 141 HG 0.0014 -0.0066 -0.0036 1458 VAL 142 N 0.0009 -0.0059 -0.0045 1459 VAL 142 CA 0.0005 -0.0060 -0.0042 1460 VAL 142 C 0.0003 -0.0062 -0.0041 1461 VAL 142 O 0.0000 -0.0063 -0.0039 1462 VAL 142 CB 0.0003 -0.0056 -0.0041 1463 VAL 142 CG1 0.0004 -0.0053 -0.0042 1464 VAL 142 CG2 0.0004 -0.0053 -0.0041 1465 VAL 142 H 0.0009 -0.0057 -0.0045 1466 VAL 142 HA 0.0005 -0.0061 -0.0042 1467 VAL 142 HB 0.0000 -0.0056 -0.0039 1468 VAL 142 HG11 0.0002 -0.0050 -0.0041 1469 VAL 142 HG12 0.0003 -0.0055 -0.0041 1470 VAL 142 HG13 0.0006 -0.0052 -0.0043 1471 VAL 142 HG21 0.0002 -0.0050 -0.0040 1472 VAL 142 HG22 0.0006 -0.0052 -0.0043 1473 VAL 142 HG23 0.0003 -0.0054 -0.0041 1474 GLY 143 N 0.0005 -0.0063 -0.0042 1475 GLY 143 CA 0.0004 -0.0066 -0.0042 1476 GLY 143 C 0.0006 -0.0065 -0.0043 1477 GLY 143 O 0.0009 -0.0063 -0.0045 1478 GLY 143 H 0.0008 -0.0062 -0.0044 1479 GLY 143 HA3 0.0001 -0.0065 -0.0040 1480 GLY 143 HA2 0.0004 -0.0069 -0.0042 1481 CYS 144 N 0.0007 -0.0052 -0.0034 1482 CYS 144 CA 0.0004 -0.0049 -0.0029 1483 CYS 144 C -0.0002 -0.0045 -0.0025 1484 CYS 144 O -0.0006 -0.0045 -0.0027 1485 CYS 144 CB 0.0001 -0.0050 -0.0033 1486 CYS 144 SG 0.0008 -0.0054 -0.0037 1487 CYS 144 H 0.0003 -0.0052 -0.0037 1488 CYS 144 HA 0.0009 -0.0048 -0.0025 1489 CYS 144 HB3 -0.0001 -0.0048 -0.0029 1490 CYS 144 HB2 -0.0004 -0.0051 -0.0037 1491 THR 145 N -0.0003 -0.0042 -0.0018 1492 THR 145 CA -0.0009 -0.0038 -0.0014 1493 THR 145 C -0.0012 -0.0036 -0.0010 1494 THR 145 O -0.0008 -0.0036 -0.0010 1495 THR 145 CB -0.0005 -0.0036 -0.0008 1496 THR 145 OG1 -0.0011 -0.0033 -0.0004 1497 THR 145 CG2 0.0001 -0.0035 -0.0002 1498 THR 145 H 0.0000 -0.0042 -0.0016 1499 THR 145 HA -0.0014 -0.0039 -0.0017 1500 THR 145 HB -0.0002 -0.0038 -0.0010 1501 THR 145 HG1 -0.0012 -0.0034 -0.0006 1502 THR 145 HG21 0.0003 -0.0033 0.0002 1503 THR 145 HG22 0.0005 -0.0037 -0.0004 1504 THR 145 HG23 -0.0002 -0.0033 0.0001 1505 CYS 146 N 0.0005 -0.0026 -0.0005 1506 CYS 146 CA 0.0000 -0.0025 -0.0002 1507 CYS 146 C 0.0001 -0.0021 0.0007 1508 CYS 146 O -0.0002 -0.0019 0.0011 1509 CYS 146 CB -0.0010 -0.0027 -0.0005 1510 CYS 146 SG -0.0017 -0.0026 -0.0002 1511 CYS 146 H 0.0003 -0.0026 -0.0003 1512 CYS 146 HA 0.0003 -0.0027 -0.0006 1513 CYS 146 HB3 -0.0012 -0.0026 -0.0002 1514 CYS 146 HB2 -0.0010 -0.0030 -0.0011 1515 VAL 147 N 0.0005 -0.0020 0.0009 1516 VAL 147 CA 0.0007 -0.0017 0.0017 1517 VAL 147 C 0.0002 -0.0016 0.0019 1518 VAL 147 O 0.0000 -0.0019 0.0013 1519 VAL 147 CB 0.0017 -0.0016 0.0018 1520 VAL 147 CG1 0.0022 -0.0016 0.0018 1521 VAL 147 CG2 0.0021 -0.0018 0.0013 1522 VAL 147 H 0.0007 -0.0022 0.0004 1523 VAL 147 HA 0.0004 -0.0015 0.0021 1524 VAL 147 HB 0.0018 -0.0013 0.0025 1525 VAL 147 HG11 0.0029 -0.0015 0.0019 1526 VAL 147 HG12 0.0020 -0.0014 0.0022 1527 VAL 147 HG13 0.0022 -0.0018 0.0012 1528 VAL 147 HG21 0.0028 -0.0017 0.0014 1529 VAL 147 HG22 0.0020 -0.0021 0.0007 1530 VAL 147 HG23 0.0018 -0.0017 0.0014 1531 THR 148 N 0.0008 -0.0036 0.0038 1532 THR 148 CA 0.0004 -0.0044 0.0031 1533 THR 148 C 0.0017 -0.0035 0.0014 1534 THR 148 O 0.0030 -0.0019 0.0017 1535 THR 148 CB -0.0001 -0.0042 0.0051 1536 THR 148 OG1 0.0011 -0.0024 0.0061 1537 THR 148 CG2 -0.0015 -0.0051 0.0069 1538 THR 148 H 0.0011 -0.0028 0.0052 1539 THR 148 HA -0.0006 -0.0058 0.0025 1540 THR 148 HB -0.0004 -0.0047 0.0046 1541 THR 148 HG1 0.0018 -0.0019 0.0052 1542 THR 148 HG21 -0.0018 -0.0049 0.0082 1543 THR 148 HG22 -0.0025 -0.0065 0.0063 1544 THR 148 HG23 -0.0013 -0.0046 0.0075 1545 PRO 149 N 0.0015 -0.0044 -0.0003 1546 PRO 149 CA 0.0028 -0.0036 -0.0019 1547 PRO 149 C 0.0034 -0.0025 -0.0010 1548 PRO 149 O 0.0027 -0.0027 0.0007 1549 PRO 149 CB 0.0020 -0.0051 -0.0037 1550 PRO 149 CG 0.0004 -0.0067 -0.0026 1551 PRO 149 CD 0.0001 -0.0063 -0.0009 1552 PRO 149 HA 0.0037 -0.0028 -0.0026 1553 PRO 149 HB3 0.0022 -0.0054 -0.0049 1554 PRO 149 HB2 0.0025 -0.0049 -0.0046 1555 PRO 149 HG3 -0.0004 -0.0079 -0.0037 1556 PRO 149 HG2 0.0001 -0.0066 -0.0018 1557 PRO 149 HD2 -0.0009 -0.0069 0.0004 1558 PRO 149 HD3 -0.0001 -0.0068 -0.0017 1559 ILE 150 N 0.0160 0.0016 -0.0058 1560 ILE 150 CA 0.0186 0.0052 -0.0038 1561 ILE 150 C 0.0182 0.0026 -0.0074 1562 ILE 150 O 0.0202 0.0010 -0.0129 1563 ILE 150 CB 0.0245 0.0097 -0.0050 1564 ILE 150 CG1 0.0251 0.0126 -0.0013 1565 ILE 150 CG2 0.0277 0.0132 -0.0042 1566 ILE 150 CD1 0.0228 0.0149 0.0055 1567 ILE 150 H 0.0179 0.0007 -0.0101 1568 ILE 150 HA 0.0165 0.0064 0.0009 1569 ILE 150 HB 0.0263 0.0084 -0.0097 1570 ILE 150 HG13 0.0292 0.0155 -0.0027 1571 ILE 150 HG12 0.0232 0.0102 -0.0025 1572 ILE 150 HG21 0.0317 0.0165 -0.0046 1573 ILE 150 HG22 0.0282 0.0115 -0.0076 1574 ILE 150 HG23 0.0258 0.0142 0.0002 1575 ILE 150 HD11 0.0249 0.0181 0.0077 1576 ILE 150 HD12 0.0231 0.0160 0.0068 1577 ILE 150 HD13 0.0186 0.0123 0.0073 1578 VAL 151 N 0.0155 0.0022 -0.0043 1579 VAL 151 CA 0.0145 -0.0005 -0.0070 1580 VAL 151 C 0.0178 0.0032 -0.0059 1581 VAL 151 O 0.0181 0.0066 -0.0009 1582 VAL 151 CB 0.0085 -0.0041 -0.0043 1583 VAL 151 CG1 0.0071 -0.0071 -0.0069 1584 VAL 151 CG2 0.0050 -0.0077 -0.0049 1585 VAL 151 H 0.0140 0.0037 0.0002 1586 VAL 151 HA 0.0155 -0.0026 -0.0119 1587 VAL 151 HB 0.0075 -0.0020 0.0005 1588 VAL 151 HG11 0.0029 -0.0097 -0.0050 1589 VAL 151 HG12 0.0090 -0.0048 -0.0060 1590 VAL 151 HG13 0.0082 -0.0092 -0.0118 1591 VAL 151 HG21 0.0009 -0.0102 -0.0031 1592 VAL 151 HG22 0.0060 -0.0098 -0.0096 1593 VAL 151 HG23 0.0055 -0.0057 -0.0026 1594 HIS 152 N 0.0150 0.0047 -0.0226 1595 HIS 152 CA 0.0097 -0.0008 -0.0188 1596 HIS 152 C 0.0038 0.0047 -0.0143 1597 HIS 152 O 0.0036 0.0119 -0.0140 1598 HIS 152 CB 0.0079 -0.0074 -0.0176 1599 HIS 152 CG 0.0065 -0.0044 -0.0165 1600 HIS 152 ND1 0.0116 -0.0018 -0.0202 1601 HIS 152 CD2 0.0007 -0.0039 -0.0123 1602 HIS 152 CE1 0.0088 0.0002 -0.0181 1603 HIS 152 NE2 0.0022 -0.0009 -0.0133 1604 HIS 152 H 0.0132 0.0104 -0.0211 1605 HIS 152 HA 0.0114 -0.0039 -0.0201 1606 HIS 152 HB3 0.0119 -0.0119 -0.0206 1607 HIS 152 HB2 0.0035 -0.0110 -0.0145 1608 HIS 152 HD1 0.0165 -0.0015 -0.0238 1609 HIS 152 HD2 -0.0043 -0.0054 -0.0086 1610 HIS 152 HE1 0.0115 0.0024 -0.0201 1611 HIS 153 N -0.0007 0.0013 -0.0111 1612 HIS 153 CA -0.0071 0.0050 -0.0062 1613 HIS 153 C -0.0120 0.0028 -0.0028 1614 HIS 153 O -0.0110 -0.0035 -0.0036 1615 HIS 153 CB -0.0096 0.0018 -0.0045 1616 HIS 153 CG -0.0152 0.0067 -0.0003 1617 HIS 153 ND1 -0.0219 0.0056 0.0046 1618 HIS 153 CD2 -0.0150 0.0128 -0.0002 1619 HIS 153 CE1 -0.0253 0.0109 0.0073 1620 HIS 153 NE2 -0.0215 0.0155 0.0046 1621 HIS 153 H -0.0005 -0.0048 -0.0114 1622 HIS 153 HA -0.0065 0.0118 -0.0065 1623 HIS 153 HB3 -0.0113 -0.0046 -0.0034 1624 HIS 153 HB2 -0.0055 0.0019 -0.0075 1625 HIS 153 HD1 -0.0239 0.0016 0.0060 1626 HIS 153 HD2 -0.0108 0.0154 -0.0033 1627 HIS 153 HE1 -0.0307 0.0115 0.0112 1628 VAL 154 N -0.0183 0.0002 -0.0068 1629 VAL 154 CA -0.0122 -0.0080 0.0002 1630 VAL 154 C -0.0043 0.0051 -0.0037 1631 VAL 154 O 0.0025 0.0191 -0.0087 1632 VAL 154 CB 0.0012 -0.0188 0.0118 1633 VAL 154 CG1 0.0199 -0.0092 0.0142 1634 VAL 154 CG2 0.0020 -0.0329 0.0199 1635 VAL 154 H -0.0101 0.0021 -0.0045 1636 VAL 154 HA -0.0235 -0.0159 -0.0001 1637 VAL 154 HB -0.0036 -0.0247 0.0131 1638 VAL 154 HG11 0.0278 -0.0173 0.0220 1639 VAL 154 HG12 0.0199 0.0010 0.0085 1640 VAL 154 HG13 0.0266 -0.0042 0.0142 1641 VAL 154 HG21 0.0108 -0.0409 0.0280 1642 VAL 154 HG22 0.0067 -0.0284 0.0193 1643 VAL 154 HG23 -0.0108 -0.0407 0.0190 1644 ALA 155 N -0.0055 0.0003 -0.0016 1645 ALA 155 CA 0.0018 0.0103 -0.0041 1646 ALA 155 C 0.0175 0.0036 0.0061 1647 ALA 155 O 0.0279 0.0143 0.0045 1648 ALA 155 CB -0.0132 0.0107 -0.0105 1649 ALA 155 OXT 0.0174 -0.0116 0.0145 1650 ALA 155 H -0.0090 -0.0119 0.0037 1651 ALA 155 HA 0.0070 0.0230 -0.0090 1652 ALA 155 HB1 -0.0086 0.0183 -0.0128 1653 ALA 155 HB2 -0.0236 0.0159 -0.0177 1654 ALA 155 HB3 -0.0188 -0.0016 -0.0061 1655 ASP 103 N -0.0358 0.0238 0.0075 1656 ASP 103 CA -0.0116 -0.0108 0.0281 1657 ASP 103 C -0.0150 -0.0449 0.0506 1658 ASP 103 O 0.0034 -0.0759 0.0695 1659 ASP 103 CB 0.0390 -0.0052 0.0205 1660 ASP 103 CG 0.0496 0.0245 0.0003 1661 ASP 103 OD1 0.0183 0.0389 -0.0066 1662 ASP 103 OD2 0.0906 0.0311 -0.0072 1663 ASP 103 H -0.0159 0.0439 -0.0072 1664 ASP 103 HA -0.0283 -0.0190 0.0349 1665 ASP 103 HB2 0.0572 0.0022 0.0142 1666 ASP 103 HB3 0.0546 -0.0321 0.0368 1667 ASN 57 N -0.0048 0.0004 -0.0032 1668 ASN 57 CA -0.0051 0.0034 -0.0063 1669 ASN 57 C -0.0106 0.0249 -0.0314 1670 ASN 57 O -0.0226 0.0277 -0.0425 1671 ASN 57 CB -0.0262 -0.0186 0.0005 1672 ASN 57 CG -0.0234 -0.0415 0.0251 1673 ASN 57 OD1 -0.0431 -0.0600 0.0294 1674 ASN 57 ND2 0.0004 -0.0414 0.0417 1675 ASN 57 H -0.0212 -0.0009 -0.0134 1676 ASN 57 HA 0.0143 0.0070 0.0039 1677 ASN 57 HXT -0.0029 0.0382 -0.0391 1678 ASN 57 HB2 -0.0462 -0.0209 -0.0113 1679 ASN 57 HB3 -0.0253 -0.0158 -0.0016 1680 ASN 57 HD22 0.0019 -0.0567 0.0578 1681 ASN 57 HD21 0.0166 -0.0265 0.0385 1682 SER 64 N 0.0027 0.0007 -0.0043 1683 SER 64 CA 0.0012 -0.0001 -0.0034 1684 SER 64 C 0.0006 -0.0011 -0.0047 1685 SER 64 O 0.0014 -0.0008 -0.0055 1686 SER 64 CB 0.0013 0.0007 -0.0017 1687 SER 64 OG 0.0024 0.0014 -0.0022 1688 SER 64 H1 0.0029 0.0012 -0.0036 1689 SER 64 H2 0.0026 0.0002 -0.0055 1690 SER 64 HA 0.0003 -0.0006 -0.0030 1691 SER 64 HB2 0.0002 0.0002 -0.0011 1692 SER 64 HB3 0.0016 0.0014 -0.0008 1693 SER 64 HG 0.0032 0.0016 -0.0031 1694 ASP 65 N -0.0009 -0.0022 -0.0048 1695 ASP 65 CA -0.0018 -0.0033 -0.0057 1696 ASP 65 C -0.0020 -0.0032 -0.0051 1697 ASP 65 O -0.0028 -0.0041 -0.0057 1698 ASP 65 CB -0.0034 -0.0046 -0.0056 1699 ASP 65 CG -0.0036 -0.0049 -0.0060 1700 ASP 65 OD1 -0.0025 -0.0042 -0.0066 1701 ASP 65 OD2 -0.0050 -0.0058 -0.0056 1702 ASP 65 H -0.0014 -0.0025 -0.0044 1703 ASP 65 HA -0.0012 -0.0035 -0.0071 1704 ASP 65 HB2 -0.0042 -0.0045 -0.0043 1705 ASP 65 HB3 -0.0040 -0.0054 -0.0065 1706 TYR 85 N -0.0057 -0.0000 -0.0004 1707 TYR 85 CA -0.0049 -0.0001 -0.0001 1708 TYR 85 C -0.0048 -0.0009 0.0001 1709 TYR 85 O -0.0049 -0.0014 0.0001 1710 TYR 85 CB -0.0044 0.0003 0.0001 1711 TYR 85 CG -0.0037 0.0003 0.0004 1712 TYR 85 CD1 -0.0033 0.0009 0.0005 1713 TYR 85 CD2 -0.0033 -0.0004 0.0006 1714 TYR 85 CE1 -0.0026 0.0009 0.0008 1715 TYR 85 CE2 -0.0025 -0.0004 0.0010 1716 TYR 85 CZ -0.0022 0.0003 0.0010 1717 TYR 85 OH -0.0015 0.0003 0.0013 1718 TYR 85 H -0.0058 -0.0004 -0.0005 1719 TYR 85 HA -0.0048 0.0003 -0.0001 1720 TYR 85 HB2 -0.0046 0.0009 -0.0001 1721 TYR 85 HB3 -0.0045 -0.0000 0.0001 1722 TYR 85 HD1 -0.0036 0.0014 0.0003 1723 TYR 85 HD2 -0.0035 -0.0009 0.0006 1724 TYR 85 HE1 -0.0023 0.0014 0.0008 1725 TYR 85 HE2 -0.0022 -0.0009 0.0012 1726 TYR 85 HH -0.0012 -0.0000 0.0015 1727 PHE 41 N -0.0038 0.0027 0.0002 1728 PHE 41 CA -0.0034 0.0015 0.0013 1729 PHE 41 C -0.0016 0.0012 0.0020 1730 PHE 41 O -0.0003 0.0016 0.0020 1731 PHE 41 CB -0.0035 0.0017 0.0011 1732 PHE 41 CG -0.0052 0.0018 0.0005 1733 PHE 41 CD1 -0.0066 0.0006 0.0011 1734 PHE 41 CD2 -0.0057 0.0030 -0.0006 1735 PHE 41 CE1 -0.0082 0.0007 0.0006 1736 PHE 41 CE2 -0.0073 0.0031 -0.0012 1737 PHE 41 CZ -0.0086 0.0020 -0.0005 1738 PHE 41 H -0.0031 0.0036 -0.0004 1739 PHE 41 HA -0.0043 0.0006 0.0018 1740 PHE 41 HB3 -0.0031 0.0008 0.0019 1741 PHE 41 HB2 -0.0026 0.0025 0.0006 1742 PHE 41 HD1 -0.0063 -0.0004 0.0020 1743 PHE 41 HD2 -0.0047 0.0039 -0.0011 1744 PHE 41 HE1 -0.0092 -0.0001 0.0010 1745 PHE 41 HE2 -0.0076 0.0041 -0.0020 1746 PHE 41 HZ -0.0099 0.0021 -0.0010 1747 PRO 42 N -0.0015 0.0006 0.0025 1748 PRO 42 CA 0.0001 0.0003 0.0032 1749 PRO 42 C 0.0007 -0.0009 0.0043 1750 PRO 42 O -0.0004 -0.0018 0.0048 1751 PRO 42 CB -0.0003 -0.0002 0.0034 1752 PRO 42 CG -0.0022 -0.0007 0.0034 1753 PRO 42 CD -0.0029 0.0002 0.0024 1754 PRO 42 HA 0.0011 0.0012 0.0027 1755 PRO 42 HB3 0.0000 0.0007 0.0028 1756 PRO 42 HB2 0.0005 -0.0009 0.0043 1757 PRO 42 HG3 -0.0028 -0.0007 0.0032 1758 PRO 42 HG2 -0.0024 -0.0017 0.0041 1759 PRO 42 HD2 -0.0040 -0.0003 0.0025 1760 PRO 42 HD3 -0.0031 0.0011 0.0016 1761 ARG 43 N -0.0007 0.0001 0.0005 1762 ARG 43 CA 0.0000 -0.0001 -0.0007 1763 ARG 43 C -0.0003 -0.0012 -0.0002 1764 ARG 43 O -0.0000 -0.0008 -0.0007 1765 ARG 43 CB 0.0008 -0.0011 -0.0022 1766 ARG 43 CG 0.0016 -0.0017 -0.0036 1767 ARG 43 CD 0.0023 -0.0027 -0.0050 1768 ARG 43 NE 0.0030 -0.0036 -0.0062 1769 ARG 43 CZ 0.0029 -0.0053 -0.0061 1770 ARG 43 NH1 0.0021 -0.0063 -0.0048 1771 ARG 43 NH2 0.0035 -0.0059 -0.0074 1772 ARG 43 H -0.0006 -0.0003 0.0003 1773 ARG 43 HA 0.0002 0.0012 -0.0011 1774 ARG 43 HB3 0.0006 -0.0023 -0.0018 1775 ARG 43 HB2 0.0011 -0.0002 -0.0027 1776 ARG 43 HG3 0.0018 -0.0005 -0.0041 1777 ARG 43 HG2 0.0013 -0.0026 -0.0032 1778 ARG 43 HD3 0.0021 -0.0036 -0.0046 1779 ARG 43 HD2 0.0027 -0.0016 -0.0057 1780 ARG 43 HH22 0.0035 -0.0072 -0.0073 1781 ARG 43 HH21 0.0041 -0.0053 -0.0085 1782 ARG 43 HH12 0.0020 -0.0075 -0.0046 1783 ARG 43 HH11 0.0015 -0.0057 -0.0037 1784 ARG 43 HE 0.0036 -0.0029 -0.0073 1785 THR 44 N -0.0009 -0.0026 0.0008 1786 THR 44 CA -0.0012 -0.0040 0.0013 1787 THR 44 C -0.0022 -0.0042 0.0032 1788 THR 44 O -0.0026 -0.0045 0.0038 1789 THR 44 CB -0.0008 -0.0059 0.0005 1790 THR 44 OG1 0.0002 -0.0056 -0.0012 1791 THR 44 CG2 -0.0010 -0.0074 0.0008 1792 THR 44 H -0.0012 -0.0028 0.0014 1793 THR 44 HA -0.0010 -0.0035 0.0010 1794 THR 44 HB -0.0010 -0.0064 0.0008 1795 THR 44 HG1 0.0003 -0.0052 -0.0015 1796 THR 44 HG21 -0.0007 -0.0087 0.0002 1797 THR 44 HG22 -0.0017 -0.0077 0.0021 1798 THR 44 HG23 -0.0008 -0.0069 0.0004 1799 VAL 45 N -0.0031 -0.0043 0.0023 1800 VAL 45 CA -0.0031 -0.0043 0.0035 1801 VAL 45 C -0.0030 -0.0045 0.0039 1802 VAL 45 O -0.0031 -0.0043 0.0033 1803 VAL 45 CB -0.0031 -0.0032 0.0039 1804 VAL 45 CG1 -0.0032 -0.0029 0.0035 1805 VAL 45 CG2 -0.0033 -0.0022 0.0037 1806 VAL 45 H -0.0032 -0.0038 0.0020 1807 VAL 45 HA -0.0030 -0.0049 0.0038 1808 VAL 45 HB -0.0031 -0.0032 0.0048 1809 VAL 45 HG11 -0.0032 -0.0022 0.0039 1810 VAL 45 HG12 -0.0031 -0.0037 0.0036 1811 VAL 45 HG13 -0.0033 -0.0028 0.0026 1812 VAL 45 HG21 -0.0033 -0.0014 0.0041 1813 VAL 45 HG22 -0.0033 -0.0020 0.0029 1814 VAL 45 HG23 -0.0032 -0.0022 0.0041 1815 MET 46 N -0.0029 -0.0049 0.0049 1816 MET 46 CA -0.0028 -0.0050 0.0055 1817 MET 46 C -0.0029 -0.0040 0.0062 1818 MET 46 O -0.0029 -0.0035 0.0067 1819 MET 46 CB -0.0027 -0.0060 0.0063 1820 MET 46 CG -0.0026 -0.0071 0.0057 1821 MET 46 SD -0.0024 -0.0082 0.0066 1822 MET 46 CE -0.0024 -0.0081 0.0070 1823 MET 46 H -0.0029 -0.0049 0.0054 1824 MET 46 HA -0.0029 -0.0052 0.0049 1825 MET 46 HB3 -0.0027 -0.0060 0.0068 1826 MET 46 HB2 -0.0027 -0.0059 0.0068 1827 MET 46 HG3 -0.0027 -0.0071 0.0051 1828 MET 46 HG2 -0.0026 -0.0072 0.0052 1829 MET 46 HE1 -0.0023 -0.0088 0.0075 1830 MET 46 HE2 -0.0025 -0.0081 0.0063 1831 MET 46 HE3 -0.0025 -0.0074 0.0075 1832 VAL 47 N -0.0032 -0.0013 0.0036 1833 VAL 47 CA -0.0033 -0.0008 0.0041 1834 VAL 47 C -0.0027 -0.0002 0.0047 1835 VAL 47 O -0.0028 0.0001 0.0050 1836 VAL 47 CB -0.0043 -0.0003 0.0040 1837 VAL 47 CG1 -0.0044 0.0003 0.0045 1838 VAL 47 CG2 -0.0050 -0.0009 0.0034 1839 VAL 47 H -0.0034 -0.0011 0.0037 1840 VAL 47 HA -0.0031 -0.0010 0.0039 1841 VAL 47 HB -0.0046 -0.0000 0.0042 1842 VAL 47 HG11 -0.0052 0.0006 0.0045 1843 VAL 47 HG12 -0.0041 0.0008 0.0050 1844 VAL 47 HG13 -0.0042 0.0001 0.0044 1845 VAL 47 HG21 -0.0057 -0.0006 0.0034 1846 VAL 47 HG22 -0.0047 -0.0012 0.0031 1847 VAL 47 HG23 -0.0050 -0.0012 0.0030 1848 ASN 48 N -0.0021 -0.0001 0.0051 1849 ASN 48 CA -0.0016 0.0005 0.0057 1850 ASN 48 C -0.0022 0.0013 0.0061 1851 ASN 48 O -0.0025 0.0013 0.0061 1852 ASN 48 CB -0.0007 0.0002 0.0058 1853 ASN 48 CG 0.0001 0.0007 0.0065 1854 ASN 48 OD1 -0.0001 0.0013 0.0070 1855 ASN 48 ND2 0.0009 0.0004 0.0065 1856 ASN 48 H -0.0021 -0.0004 0.0048 1857 ASN 48 HA -0.0013 0.0006 0.0059 1858 ASN 48 HB3 -0.0009 0.0002 0.0057 1859 ASN 48 HB2 -0.0004 -0.0004 0.0055 1860 ASN 48 HD22 0.0014 0.0007 0.0070 1861 ASN 48 HD21 0.0010 -0.0002 0.0061 1862 LEU 49 N -0.0006 0.0030 0.0058 1863 LEU 49 CA -0.0024 0.0041 0.0071 1864 LEU 49 C -0.0019 0.0051 0.0086 1865 LEU 49 O -0.0034 0.0060 0.0096 1866 LEU 49 CB -0.0028 0.0048 0.0080 1867 LEU 49 CG -0.0038 0.0041 0.0066 1868 LEU 49 CD1 -0.0043 0.0050 0.0078 1869 LEU 49 CD2 -0.0059 0.0037 0.0054 1870 LEU 49 H 0.0005 0.0030 0.0060 1871 LEU 49 HA -0.0039 0.0039 0.0062 1872 LEU 49 HB3 -0.0040 0.0057 0.0091 1873 LEU 49 HB2 -0.0012 0.0051 0.0088 1874 LEU 49 HG -0.0025 0.0033 0.0057 1875 LEU 49 HD11 -0.0051 0.0045 0.0068 1876 LEU 49 HD12 -0.0027 0.0051 0.0085 1877 LEU 49 HD13 -0.0054 0.0059 0.0089 1878 LEU 49 HD21 -0.0067 0.0034 0.0046 1879 LEU 49 HD22 -0.0071 0.0045 0.0062 1880 LEU 49 HD23 -0.0055 0.0029 0.0043 1881 ASN 50 N 0.0001 0.0048 0.0088 1882 ASN 50 CA 0.0006 0.0056 0.0102 1883 ASN 50 C -0.0005 0.0053 0.0094 1884 ASN 50 O 0.0006 0.0045 0.0085 1885 ASN 50 CB 0.0032 0.0054 0.0106 1886 ASN 50 CG 0.0043 0.0061 0.0120 1887 ASN 50 OD1 0.0033 0.0070 0.0130 1888 ASN 50 ND2 0.0066 0.0058 0.0121 1889 ASN 50 H 0.0012 0.0040 0.0079 1890 ASN 50 HA -0.0001 0.0066 0.0115 1891 ASN 50 HB3 0.0036 0.0058 0.0113 1892 ASN 50 HB2 0.0040 0.0044 0.0093 1893 ASN 50 HD22 0.0073 0.0063 0.0131 1894 ASN 50 HD21 0.0075 0.0051 0.0113 1895 ILE 51 N 0.0004 0.0072 0.0037 1896 ILE 51 CA 0.0005 0.0062 0.0035 1897 ILE 51 C 0.0024 0.0061 0.0032 1898 ILE 51 O 0.0034 0.0074 0.0033 1899 ILE 51 CB -0.0007 0.0070 0.0039 1900 ILE 51 CG1 -0.0027 0.0073 0.0042 1901 ILE 51 CG2 -0.0008 0.0059 0.0036 1902 ILE 51 CD1 -0.0037 0.0085 0.0047 1903 ILE 51 H -0.0007 0.0080 0.0041 1904 ILE 51 HA -0.0000 0.0049 0.0033 1905 ILE 51 HB -0.0002 0.0083 0.0041 1906 ILE 51 HG13 -0.0027 0.0078 0.0043 1907 ILE 51 HG12 -0.0034 0.0060 0.0040 1908 ILE 51 HG21 -0.0017 0.0064 0.0039 1909 ILE 51 HG22 0.0005 0.0059 0.0034 1910 ILE 51 HG23 -0.0012 0.0045 0.0034 1911 ILE 51 HD11 -0.0051 0.0085 0.0049 1912 ILE 51 HD12 -0.0032 0.0099 0.0049 1913 ILE 51 HD13 -0.0037 0.0082 0.0046 1914 HIS 52 N 0.0029 0.0046 0.0028 1915 HIS 52 CA 0.0044 0.0044 0.0025 1916 HIS 52 C 0.0037 0.0041 0.0025 1917 HIS 52 O 0.0023 0.0032 0.0026 1918 HIS 52 CB 0.0055 0.0029 0.0020 1919 HIS 52 CG 0.0067 0.0033 0.0019 1920 HIS 52 ND1 0.0067 0.0049 0.0023 1921 HIS 52 CD2 0.0081 0.0024 0.0015 1922 HIS 52 CE1 0.0081 0.0049 0.0021 1923 HIS 52 NE2 0.0089 0.0034 0.0016 1924 HIS 52 H 0.0020 0.0036 0.0027 1925 HIS 52 HA 0.0052 0.0056 0.0027 1926 HIS 52 HB3 0.0064 0.0024 0.0018 1927 HIS 52 HB2 0.0047 0.0017 0.0019 1928 HIS 52 HD1 0.0059 0.0059 0.0026 1929 HIS 52 HD2 0.0086 0.0011 0.0012 1930 HIS 52 HE1 0.0084 0.0060 0.0023 1931 ASN 53 N 0.0073 0.0063 -0.0008 1932 ASN 53 CA 0.0070 0.0051 -0.0007 1933 ASN 53 C 0.0083 0.0032 -0.0017 1934 ASN 53 O 0.0099 0.0035 -0.0027 1935 ASN 53 CB 0.0074 0.0067 -0.0008 1936 ASN 53 CG 0.0060 0.0085 0.0002 1937 ASN 53 OD1 0.0059 0.0095 0.0003 1938 ASN 53 ND2 0.0049 0.0091 0.0009 1939 ASN 53 H 0.0085 0.0072 -0.0014 1940 ASN 53 HA 0.0055 0.0045 0.0001 1941 ASN 53 HB3 0.0074 0.0058 -0.0009 1942 ASN 53 HB2 0.0088 0.0075 -0.0016 1943 ASN 53 HD22 0.0041 0.0104 0.0015 1944 ASN 53 HD21 0.0050 0.0084 0.0008 1945 ARG 54 N 0.0076 0.0013 -0.0015 1946 ARG 54 CA 0.0086 -0.0007 -0.0023 1947 ARG 54 C 0.0080 -0.0016 -0.0020 1948 ARG 54 O 0.0072 -0.0035 -0.0017 1949 ARG 54 CB 0.0082 -0.0022 -0.0022 1950 ARG 54 CG 0.0094 -0.0042 -0.0031 1951 ARG 54 CD 0.0091 -0.0057 -0.0030 1952 ARG 54 NE 0.0094 -0.0046 -0.0031 1953 ARG 54 CZ 0.0109 -0.0040 -0.0040 1954 ARG 54 NH1 0.0126 -0.0046 -0.0051 1955 ARG 54 NH2 0.0108 -0.0029 -0.0038 1956 ARG 54 H 0.0062 0.0011 -0.0006 1957 ARG 54 HA 0.0102 -0.0003 -0.0032 1958 ARG 54 HXT 0.0083 -0.0006 -0.0021 1959 ARG 54 HB3 0.0067 -0.0027 -0.0013 1960 ARG 54 HB2 0.0084 -0.0012 -0.0022 1961 ARG 54 HG3 0.0109 -0.0036 -0.0039 1962 ARG 54 HG2 0.0093 -0.0052 -0.0031 1963 ARG 54 HD3 0.0099 -0.0072 -0.0037 1964 ARG 54 HD2 0.0076 -0.0064 -0.0022 1965 ARG 54 HH22 0.0118 -0.0024 -0.0044 1966 ARG 54 HH21 0.0094 -0.0025 -0.0029 1967 ARG 54 HH12 0.0139 -0.0041 -0.0058 1968 ARG 54 HH11 0.0127 -0.0055 -0.0052 1969 ARG 54 HE 0.0081 -0.0043 -0.0023 1970 SER 64 N 0.0272 0.0056 0.0079 1971 SER 64 CA 0.0223 0.0027 0.0065 1972 SER 64 C 0.0159 0.0050 0.0066 1973 SER 64 O 0.0113 0.0027 0.0055 1974 SER 64 CB 0.0232 0.0026 0.0066 1975 SER 64 OG 0.0284 -0.0009 0.0060 1976 SER 64 H1 0.0301 0.0071 0.0087 1977 SER 64 H2 0.0296 0.0027 0.0073 1978 SER 64 HA 0.0222 -0.0019 0.0051 1979 SER 64 HB3 0.0193 0.0008 0.0057 1980 SER 64 HB2 0.0237 0.0070 0.0080 1981 SER 64 HG 0.0291 -0.0008 0.0061 1982 TYR 66 N 0.0066 0.0025 0.0025 1983 TYR 66 CA 0.0052 0.0015 0.0018 1984 TYR 66 C 0.0035 0.0020 0.0018 1985 TYR 66 O 0.0021 0.0018 0.0016 1986 TYR 66 CB 0.0058 -0.0002 0.0009 1987 TYR 66 CG 0.0073 -0.0010 0.0007 1988 TYR 66 CD1 0.0080 -0.0004 0.0010 1989 TYR 66 CD2 0.0081 -0.0023 0.0000 1990 TYR 66 CE1 0.0094 -0.0013 0.0007 1991 TYR 66 CE2 0.0094 -0.0031 -0.0003 1992 TYR 66 CZ 0.0101 -0.0026 0.0001 1993 TYR 66 OH 0.0114 -0.0034 -0.0002 1994 TYR 66 H 0.0076 0.0021 0.0024 1995 TYR 66 HA 0.0050 0.0015 0.0017 1996 TYR 66 HB3 0.0047 -0.0009 0.0004 1997 TYR 66 HB2 0.0060 -0.0002 0.0009 1998 TYR 66 HD1 0.0074 0.0006 0.0015 1999 TYR 66 HD2 0.0076 -0.0027 -0.0003 2000 TYR 66 HE1 0.0099 -0.0009 0.0010 2001 TYR 66 HE2 0.0100 -0.0042 -0.0008 2002 TYR 66 HH 0.0117 -0.0044 -0.0007 2003 TYR 67 N 0.0035 0.0027 0.0022 2004 TYR 67 CA 0.0020 0.0033 0.0024 2005 TYR 67 C 0.0010 0.0046 0.0030 2006 TYR 67 O -0.0006 0.0048 0.0029 2007 TYR 67 CB 0.0025 0.0037 0.0027 2008 TYR 67 CG 0.0032 0.0053 0.0036 2009 TYR 67 CD1 0.0049 0.0056 0.0039 2010 TYR 67 CD2 0.0023 0.0064 0.0041 2011 TYR 67 CE1 0.0055 0.0071 0.0048 2012 TYR 67 CE2 0.0029 0.0079 0.0050 2013 TYR 67 CZ 0.0045 0.0082 0.0053 2014 TYR 67 OH 0.0051 0.0097 0.0062 2015 TYR 67 H 0.0047 0.0028 0.0024 2016 TYR 67 HA 0.0011 0.0024 0.0018 2017 TYR 67 HB3 0.0033 0.0028 0.0023 2018 TYR 67 HB2 0.0013 0.0037 0.0025 2019 TYR 67 HD1 0.0057 0.0047 0.0036 2020 TYR 67 HD2 0.0011 0.0062 0.0038 2021 TYR 67 HE1 0.0068 0.0073 0.0051 2022 TYR 67 HE2 0.0021 0.0088 0.0054 2023 TYR 67 HH 0.0046 0.0103 0.0064 2024 ASN 68 N 0.0039 0.0060 0.0062 2025 ASN 68 CA 0.0029 0.0069 0.0071 2026 ASN 68 C 0.0021 0.0060 0.0065 2027 ASN 68 O 0.0004 0.0061 0.0068 2028 ASN 68 CB 0.0042 0.0081 0.0080 2029 ASN 68 CG 0.0045 0.0094 0.0091 2030 ASN 68 OD1 0.0033 0.0097 0.0096 2031 ASN 68 ND2 0.0062 0.0101 0.0095 2032 ASN 68 H 0.0052 0.0058 0.0059 2033 ASN 68 HA 0.0018 0.0073 0.0077 2034 ASN 68 HB3 0.0035 0.0085 0.0085 2035 ASN 68 HB2 0.0055 0.0078 0.0075 2036 ASN 68 HD22 0.0065 0.0109 0.0101 2037 ASN 68 HD21 0.0072 0.0098 0.0091 2038 ARG 69 N 0.0032 0.0052 0.0056 2039 ARG 69 CA 0.0027 0.0045 0.0050 2040 ARG 69 C 0.0014 0.0031 0.0040 2041 ARG 69 O 0.0008 0.0025 0.0036 2042 ARG 69 CB 0.0045 0.0040 0.0044 2043 ARG 69 CG 0.0059 0.0052 0.0052 2044 ARG 69 CD 0.0079 0.0048 0.0046 2045 ARG 69 NE 0.0079 0.0036 0.0035 2046 ARG 69 CZ 0.0092 0.0026 0.0025 2047 ARG 69 NH1 0.0089 0.0015 0.0015 2048 ARG 69 NH2 0.0108 0.0028 0.0024 2049 ARG 69 H 0.0045 0.0052 0.0054 2050 ARG 69 HA 0.0021 0.0051 0.0057 2051 ARG 69 HB3 0.0042 0.0034 0.0039 2052 ARG 69 HB2 0.0052 0.0034 0.0037 2053 ARG 69 HG3 0.0060 0.0060 0.0059 2054 ARG 69 HG2 0.0055 0.0058 0.0058 2055 ARG 69 HD3 0.0086 0.0047 0.0044 2056 ARG 69 HD2 0.0087 0.0057 0.0052 2057 ARG 69 HH22 0.0117 0.0021 0.0016 2058 ARG 69 HH21 0.0111 0.0037 0.0032 2059 ARG 69 HH12 0.0097 0.0007 0.0007 2060 ARG 69 HH11 0.0077 0.0013 0.0016 2061 ARG 69 HE 0.0069 0.0034 0.0035 2062 SER 70 N 0.0007 -0.0020 0.0008 2063 SER 70 CA 0.0008 -0.0024 0.0016 2064 SER 70 C 0.0011 -0.0028 0.0018 2065 SER 70 O 0.0011 -0.0027 0.0017 2066 SER 70 CB 0.0002 -0.0019 0.0021 2067 SER 70 OG 0.0003 -0.0021 0.0029 2068 SER 70 H 0.0003 -0.0016 0.0007 2069 SER 70 HA 0.0010 -0.0026 0.0015 2070 SER 70 HB3 -0.0000 -0.0016 0.0021 2071 SER 70 HB2 0.0000 -0.0016 0.0020 2072 SER 70 HG 0.0002 -0.0021 0.0031 2073 THR 71 N 0.0015 -0.0033 0.0023 2074 THR 71 CA 0.0017 -0.0038 0.0028 2075 THR 71 C 0.0014 -0.0035 0.0034 2076 THR 71 O 0.0015 -0.0038 0.0037 2077 THR 71 CB 0.0021 -0.0043 0.0032 2078 THR 71 OG1 0.0019 -0.0041 0.0036 2079 THR 71 CG2 0.0026 -0.0047 0.0026 2080 THR 71 H 0.0015 -0.0034 0.0024 2081 THR 71 HA 0.0020 -0.0040 0.0024 2082 THR 71 HB 0.0023 -0.0046 0.0036 2083 THR 71 HG1 0.0018 -0.0040 0.0032 2084 THR 71 HG21 0.0029 -0.0051 0.0028 2085 THR 71 HG22 0.0028 -0.0049 0.0022 2086 THR 71 HG23 0.0025 -0.0045 0.0021 2087 SER 72 N 0.0004 -0.0045 0.0009 2088 SER 72 CA -0.0006 -0.0042 0.0015 2089 SER 72 C -0.0007 -0.0030 0.0012 2090 SER 72 O -0.0009 -0.0029 0.0013 2091 SER 72 CB -0.0008 -0.0050 0.0021 2092 SER 72 OG -0.0003 -0.0052 0.0017 2093 SER 72 H 0.0008 -0.0045 0.0006 2094 SER 72 HA -0.0009 -0.0041 0.0018 2095 SER 72 HB3 -0.0008 -0.0057 0.0024 2096 SER 72 HB2 -0.0016 -0.0047 0.0025 2097 SER 72 HG -0.0002 -0.0045 0.0014 2098 PRO 73 N -0.0006 -0.0022 0.0008 2099 PRO 73 CA -0.0006 -0.0012 0.0003 2100 PRO 73 C -0.0016 -0.0005 0.0008 2101 PRO 73 O -0.0022 -0.0007 0.0014 2102 PRO 73 CB -0.0002 -0.0006 -0.0002 2103 PRO 73 CG -0.0005 -0.0011 0.0003 2104 PRO 73 CD -0.0005 -0.0023 0.0007 2105 PRO 73 HA -0.0002 -0.0012 0.0000 2106 PRO 73 HB3 0.0005 -0.0009 -0.0007 2107 PRO 73 HB2 -0.0004 0.0002 -0.0004 2108 PRO 73 HG3 -0.0001 -0.0011 -0.0001 2109 PRO 73 HG2 -0.0012 -0.0007 0.0006 2110 PRO 73 HD2 -0.0009 -0.0026 0.0012 2111 PRO 73 HD3 0.0002 -0.0028 0.0003 2112 TRP 74 N -0.0033 0.0023 0.0004 2113 TRP 74 CA -0.0046 0.0025 0.0005 2114 TRP 74 C -0.0042 0.0042 0.0003 2115 TRP 74 O -0.0027 0.0050 0.0002 2116 TRP 74 CB -0.0046 0.0007 0.0006 2117 TRP 74 CG -0.0029 0.0002 0.0005 2118 TRP 74 CD1 -0.0026 0.0007 0.0004 2119 TRP 74 CD2 -0.0014 -0.0010 0.0004 2120 TRP 74 NE1 -0.0009 -0.0001 0.0003 2121 TRP 74 CE2 -0.0002 -0.0012 0.0003 2122 TRP 74 CE3 -0.0010 -0.0019 0.0004 2123 TRP 74 CZ2 0.0014 -0.0023 0.0002 2124 TRP 74 CZ3 0.0006 -0.0030 0.0003 2125 TRP 74 CH2 0.0018 -0.0032 0.0002 2126 TRP 74 H -0.0020 0.0026 0.0002 2127 TRP 74 HA -0.0060 0.0027 0.0006 2128 TRP 74 HB3 -0.0050 -0.0004 0.0007 2129 TRP 74 HB2 -0.0057 0.0008 0.0007 2130 TRP 74 HD1 -0.0034 0.0016 0.0004 2131 TRP 74 HE1 -0.0004 0.0001 0.0002 2132 TRP 74 HE3 -0.0019 -0.0018 0.0005 2133 TRP 74 HZ2 0.0023 -0.0024 0.0001 2134 TRP 74 HZ3 0.0009 -0.0037 0.0003 2135 TRP 74 HH2 0.0030 -0.0041 0.0002 2136 ASN 75 N -0.0055 0.0047 0.0004 2137 ASN 75 CA -0.0053 0.0061 0.0003 2138 ASN 75 C -0.0056 0.0052 0.0004 2139 ASN 75 O -0.0068 0.0040 0.0006 2140 ASN 75 CB -0.0068 0.0076 0.0004 2141 ASN 75 CG -0.0067 0.0086 0.0003 2142 ASN 75 OD1 -0.0054 0.0086 0.0002 2143 ASN 75 ND2 -0.0083 0.0094 0.0004 2144 ASN 75 H -0.0066 0.0039 0.0006 2145 ASN 75 HA -0.0039 0.0068 0.0002 2146 ASN 75 HB3 -0.0067 0.0087 0.0003 2147 ASN 75 HB2 -0.0081 0.0070 0.0005 2148 ASN 75 HD22 -0.0083 0.0101 0.0004 2149 ASN 75 HD21 -0.0094 0.0095 0.0005 2150 LEU 76 N -0.0047 0.0072 0.0034 2151 LEU 76 CA -0.0038 0.0055 0.0027 2152 LEU 76 C -0.0047 0.0065 0.0030 2153 LEU 76 O -0.0044 0.0085 0.0042 2154 LEU 76 CB -0.0009 0.0050 0.0033 2155 LEU 76 CG 0.0002 0.0037 0.0029 2156 LEU 76 CD1 0.0031 0.0035 0.0036 2157 LEU 76 CD2 -0.0007 0.0014 0.0013 2158 LEU 76 H -0.0038 0.0085 0.0044 2159 LEU 76 HA -0.0045 0.0039 0.0016 2160 LEU 76 HB3 -0.0002 0.0039 0.0028 2161 LEU 76 HB2 -0.0001 0.0066 0.0044 2162 LEU 76 HG -0.0005 0.0048 0.0033 2163 LEU 76 HD11 0.0039 0.0027 0.0034 2164 LEU 76 HD12 0.0037 0.0052 0.0047 2165 LEU 76 HD13 0.0039 0.0025 0.0033 2166 LEU 76 HD21 0.0009 0.0001 0.0010 2167 LEU 76 HD22 -0.0014 0.0008 0.0007 2168 LEU 76 HD23 -0.0022 0.0014 0.0009 2169 HIS 77 N -0.0056 0.0051 0.0019 2170 HIS 77 CA -0.0063 0.0056 0.0020 2171 HIS 77 C -0.0046 0.0041 0.0017 2172 HIS 77 O -0.0039 0.0021 0.0007 2173 HIS 77 CB -0.0091 0.0053 0.0010 2174 HIS 77 CG -0.0110 0.0071 0.0015 2175 HIS 77 ND1 -0.0115 0.0070 0.0012 2176 HIS 77 CD2 -0.0124 0.0090 0.0022 2177 HIS 77 CE1 -0.0132 0.0088 0.0018 2178 HIS 77 NE2 -0.0138 0.0101 0.0024 2179 HIS 77 H -0.0057 0.0035 0.0010 2180 HIS 77 HA -0.0061 0.0074 0.0031 2181 HIS 77 HB3 -0.0095 0.0054 0.0009 2182 HIS 77 HB2 -0.0094 0.0036 -0.0000 2183 HIS 77 HD1 -0.0108 0.0057 0.0008 2184 HIS 77 HD2 -0.0125 0.0097 0.0025 2185 HIS 77 HE1 -0.0140 0.0092 0.0018 2186 ARG 78 N 0.0001 0.0003 0.0030 2187 ARG 78 CA 0.0007 -0.0007 0.0031 2188 ARG 78 C 0.0014 -0.0012 0.0019 2189 ARG 78 O 0.0018 -0.0016 0.0017 2190 ARG 78 CB 0.0008 -0.0015 0.0042 2191 ARG 78 CG 0.0013 -0.0025 0.0046 2192 ARG 78 CD 0.0014 -0.0032 0.0058 2193 ARG 78 NE 0.0020 -0.0042 0.0061 2194 ARG 78 CZ 0.0027 -0.0051 0.0056 2195 ARG 78 NH1 0.0032 -0.0059 0.0060 2196 ARG 78 NH2 0.0031 -0.0051 0.0048 2197 ARG 78 H 0.0001 0.0001 0.0031 2198 ARG 78 HA 0.0005 -0.0005 0.0033 2199 ARG 78 HB3 0.0011 -0.0018 0.0040 2200 ARG 78 HB2 0.0003 -0.0011 0.0050 2201 ARG 78 HG3 0.0010 -0.0021 0.0049 2202 ARG 78 HG2 0.0019 -0.0029 0.0039 2203 ARG 78 HD3 0.0014 -0.0033 0.0058 2204 ARG 78 HD2 0.0008 -0.0028 0.0065 2205 ARG 78 HH22 0.0037 -0.0057 0.0043 2206 ARG 78 HH21 0.0028 -0.0045 0.0044 2207 ARG 78 HH12 0.0038 -0.0065 0.0054 2208 ARG 78 HH11 0.0030 -0.0061 0.0067 2209 ARG 78 HE 0.0017 -0.0042 0.0068 2210 ASN 79 N 0.0016 -0.0010 0.0012 2211 ASN 79 CA 0.0023 -0.0014 0.0001 2212 ASN 79 C 0.0029 -0.0024 0.0005 2213 ASN 79 O 0.0027 -0.0024 0.0008 2214 ASN 79 CB 0.0020 -0.0005 -0.0007 2215 ASN 79 CG 0.0025 -0.0007 -0.0020 2216 ASN 79 OD1 0.0032 -0.0016 -0.0022 2217 ASN 79 ND2 0.0023 0.0002 -0.0028 2218 ASN 79 H 0.0012 -0.0006 0.0015 2219 ASN 79 HA 0.0025 -0.0015 -0.0003 2220 ASN 79 HB3 0.0017 -0.0003 -0.0003 2221 ASN 79 HB2 0.0015 0.0002 -0.0009 2222 ASN 79 HD22 0.0026 0.0002 -0.0036 2223 ASN 79 HD21 0.0017 0.0010 -0.0026 2224 GLU 80 N 0.0057 -0.0037 -0.0005 2225 GLU 80 CA 0.0056 -0.0042 -0.0004 2226 GLU 80 C 0.0069 -0.0038 -0.0008 2227 GLU 80 O 0.0080 -0.0039 -0.0011 2228 GLU 80 CB 0.0053 -0.0057 -0.0000 2229 GLU 80 CG 0.0049 -0.0061 0.0002 2230 GLU 80 CD 0.0042 -0.0075 0.0006 2231 GLU 80 OE1 0.0046 -0.0084 0.0007 2232 GLU 80 OE2 0.0032 -0.0075 0.0009 2233 GLU 80 H 0.0065 -0.0042 -0.0006 2234 GLU 80 HA 0.0048 -0.0036 -0.0002 2235 GLU 80 HB3 0.0061 -0.0063 -0.0001 2236 GLU 80 HB2 0.0044 -0.0058 0.0003 2237 GLU 80 HG3 0.0044 -0.0053 0.0002 2238 GLU 80 HG2 0.0059 -0.0063 -0.0001 2239 ASP 81 N 0.0067 -0.0035 -0.0008 2240 ASP 81 CA 0.0077 -0.0030 -0.0012 2241 ASP 81 C 0.0071 -0.0033 -0.0010 2242 ASP 81 O 0.0062 -0.0026 -0.0008 2243 ASP 81 CB 0.0078 -0.0014 -0.0015 2244 ASP 81 CG 0.0088 -0.0007 -0.0019 2245 ASP 81 OD1 0.0093 -0.0012 -0.0020 2246 ASP 81 OD2 0.0089 0.0006 -0.0021 2247 ASP 81 H 0.0057 -0.0035 -0.0005 2248 ASP 81 HA 0.0086 -0.0035 -0.0014 2249 ASP 81 HB3 0.0069 -0.0009 -0.0013 2250 ASP 81 HB2 0.0081 -0.0013 -0.0016 2251 PRO 82 N 0.0057 -0.0026 -0.0027 2252 PRO 82 CA 0.0045 -0.0019 -0.0030 2253 PRO 82 C 0.0041 -0.0004 -0.0023 2254 PRO 82 O 0.0030 0.0002 -0.0026 2255 PRO 82 CB 0.0046 -0.0024 -0.0033 2256 PRO 82 CG 0.0060 -0.0028 -0.0026 2257 PRO 82 CD 0.0066 -0.0033 -0.0025 2258 PRO 82 HA 0.0037 -0.0021 -0.0037 2259 PRO 82 HB3 0.0042 -0.0033 -0.0041 2260 PRO 82 HB2 0.0040 -0.0018 -0.0032 2261 PRO 82 HG3 0.0062 -0.0035 -0.0029 2262 PRO 82 HG2 0.0062 -0.0020 -0.0019 2263 PRO 82 HD2 0.0075 -0.0031 -0.0018 2264 PRO 82 HD3 0.0067 -0.0043 -0.0031 2265 GLU 83 N 0.0051 0.0000 -0.0013 2266 GLU 83 CA 0.0050 0.0014 -0.0005 2267 GLU 83 C 0.0047 0.0019 -0.0003 2268 GLU 83 O 0.0047 0.0030 0.0004 2269 GLU 83 CB 0.0062 0.0015 0.0005 2270 GLU 83 CG 0.0064 0.0012 0.0004 2271 GLU 83 CD 0.0054 0.0022 0.0003 2272 GLU 83 OE1 0.0052 0.0033 0.0009 2273 GLU 83 OE2 0.0047 0.0017 -0.0004 2274 GLU 83 H 0.0060 -0.0006 -0.0011 2275 GLU 83 HA 0.0042 0.0019 -0.0006 2276 GLU 83 HB3 0.0062 0.0025 0.0011 2277 GLU 83 HB2 0.0070 0.0009 0.0006 2278 GLU 83 HG3 0.0073 0.0013 0.0011 2279 GLU 83 HG2 0.0064 0.0003 -0.0002 2280 ARG 84 N 0.0050 0.0010 -0.0006 2281 ARG 84 CA 0.0044 0.0019 -0.0004 2282 ARG 84 C 0.0031 0.0016 -0.0001 2283 ARG 84 O 0.0028 0.0006 -0.0001 2284 ARG 84 CB 0.0048 0.0021 -0.0005 2285 ARG 84 CG 0.0044 0.0031 -0.0003 2286 ARG 84 CD 0.0049 0.0032 -0.0004 2287 ARG 84 NE 0.0046 0.0022 -0.0004 2288 ARG 84 CZ 0.0051 0.0018 -0.0006 2289 ARG 84 NH1 0.0047 0.0009 -0.0005 2290 ARG 84 NH2 0.0061 0.0021 -0.0008 2291 ARG 84 H 0.0049 0.0003 -0.0006 2292 ARG 84 HA 0.0045 0.0027 -0.0003 2293 ARG 84 HB3 0.0047 0.0013 -0.0005 2294 ARG 84 HB2 0.0057 0.0022 -0.0007 2295 ARG 84 HG3 0.0045 0.0039 -0.0003 2296 ARG 84 HG2 0.0035 0.0030 -0.0001 2297 ARG 84 HD3 0.0058 0.0032 -0.0006 2298 ARG 84 HD2 0.0047 0.0039 -0.0003 2299 ARG 84 HH22 0.0065 0.0018 -0.0009 2300 ARG 84 HH21 0.0066 0.0025 -0.0009 2301 ARG 84 HH12 0.0051 0.0006 -0.0007 2302 ARG 84 HH11 0.0041 0.0005 -0.0004 2303 ARG 84 HE 0.0038 0.0019 -0.0002 2304 TYR 85 N 0.0025 0.0025 0.0001 2305 TYR 85 CA 0.0013 0.0024 0.0004 2306 TYR 85 C 0.0011 0.0033 0.0005 2307 TYR 85 O 0.0014 0.0043 0.0005 2308 TYR 85 CB 0.0006 0.0025 0.0006 2309 TYR 85 CG -0.0006 0.0024 0.0009 2310 TYR 85 CD1 -0.0012 0.0033 0.0011 2311 TYR 85 CD2 -0.0011 0.0014 0.0009 2312 TYR 85 CE1 -0.0023 0.0031 0.0014 2313 TYR 85 CE2 -0.0023 0.0012 0.0012 2314 TYR 85 CZ -0.0029 0.0021 0.0014 2315 TYR 85 OH -0.0039 0.0020 0.0016 2316 TYR 85 H 0.0028 0.0032 0.0001 2317 TYR 85 HA 0.0011 0.0016 0.0004 2318 TYR 85 HB3 0.0008 0.0033 0.0006 2319 TYR 85 HB2 0.0009 0.0019 0.0005 2320 TYR 85 HD1 -0.0008 0.0041 0.0011 2321 TYR 85 HD2 -0.0007 0.0007 0.0007 2322 TYR 85 HE1 -0.0028 0.0038 0.0015 2323 TYR 85 HE2 -0.0026 0.0004 0.0012 2324 TYR 85 HH -0.0043 0.0014 0.0017 2325 PRO 86 N 0.0014 0.0024 -0.0004 2326 PRO 86 CA 0.0011 0.0013 -0.0002 2327 PRO 86 C 0.0021 0.0005 -0.0003 2328 PRO 86 O 0.0029 0.0009 -0.0004 2329 PRO 86 CB 0.0003 0.0014 -0.0002 2330 PRO 86 CG -0.0001 0.0026 -0.0003 2331 PRO 86 CD 0.0009 0.0032 -0.0005 2332 PRO 86 HA 0.0007 0.0009 -0.0001 2333 PRO 86 HB3 -0.0003 0.0008 0.0000 2334 PRO 86 HB2 0.0008 0.0013 -0.0002 2335 PRO 86 HG3 -0.0007 0.0026 -0.0002 2336 PRO 86 HG2 -0.0004 0.0029 -0.0002 2337 PRO 86 HD2 0.0015 0.0033 -0.0006 2338 PRO 86 HD3 0.0007 0.0039 -0.0005 2339 SER 87 N 0.0022 -0.0005 -0.0002 2340 SER 87 CA 0.0031 -0.0012 -0.0002 2341 SER 87 C 0.0032 -0.0016 -0.0001 2342 SER 87 O 0.0040 -0.0016 -0.0003 2343 SER 87 CB 0.0031 -0.0021 -0.0001 2344 SER 87 OG 0.0021 -0.0027 0.0001 2345 SER 87 H 0.0016 -0.0008 -0.0000 2346 SER 87 HA 0.0038 -0.0007 -0.0003 2347 SER 87 HB3 0.0032 -0.0018 -0.0001 2348 SER 87 HB2 0.0037 -0.0027 -0.0001 2349 SER 87 HG 0.0022 -0.0035 0.0002 2350 VAL 88 N 0.0033 -0.0024 0.0011 2351 VAL 88 CA 0.0026 -0.0024 0.0013 2352 VAL 88 C 0.0019 -0.0016 0.0008 2353 VAL 88 O 0.0015 -0.0012 0.0006 2354 VAL 88 CB 0.0019 -0.0030 0.0021 2355 VAL 88 CG1 0.0011 -0.0031 0.0024 2356 VAL 88 CG2 0.0026 -0.0039 0.0027 2357 VAL 88 H 0.0030 -0.0023 0.0011 2358 VAL 88 HA 0.0031 -0.0026 0.0013 2359 VAL 88 HB 0.0015 -0.0028 0.0021 2360 VAL 88 HG11 0.0008 -0.0036 0.0030 2361 VAL 88 HG12 0.0005 -0.0025 0.0021 2362 VAL 88 HG13 0.0015 -0.0032 0.0024 2363 VAL 88 HG21 0.0021 -0.0043 0.0032 2364 VAL 88 HG22 0.0030 -0.0041 0.0027 2365 VAL 88 HG23 0.0032 -0.0039 0.0025 2366 ILE 89 N 0.0018 -0.0013 0.0006 2367 ILE 89 CA 0.0010 -0.0006 0.0002 2368 ILE 89 C 0.0005 -0.0009 0.0006 2369 ILE 89 O 0.0010 -0.0013 0.0009 2370 ILE 89 CB 0.0016 0.0001 -0.0006 2371 ILE 89 CG1 0.0021 0.0003 -0.0010 2372 ILE 89 CG2 0.0008 0.0008 -0.0010 2373 ILE 89 CD1 0.0026 0.0011 -0.0019 2374 ILE 89 H 0.0022 -0.0016 0.0008 2375 ILE 89 HA 0.0005 -0.0004 0.0002 2376 ILE 89 HB 0.0021 -0.0001 -0.0006 2377 ILE 89 HG13 0.0028 -0.0002 -0.0008 2378 ILE 89 HG12 0.0016 0.0004 -0.0009 2379 ILE 89 HG21 0.0012 0.0013 -0.0016 2380 ILE 89 HG22 0.0004 0.0007 -0.0008 2381 ILE 89 HG23 0.0002 0.0011 -0.0011 2382 ILE 89 HD11 0.0031 0.0011 -0.0021 2383 ILE 89 HD12 0.0030 0.0011 -0.0020 2384 ILE 89 HD13 0.0020 0.0016 -0.0022 2385 TRP 90 N 0.0005 -0.0009 0.0011 2386 TRP 90 CA -0.0006 -0.0003 0.0016 2387 TRP 90 C -0.0016 -0.0004 0.0006 2388 TRP 90 O -0.0016 -0.0006 -0.0001 2389 TRP 90 CB -0.0005 -0.0000 0.0024 2390 TRP 90 CG 0.0004 0.0001 0.0035 2391 TRP 90 CD1 0.0016 -0.0002 0.0036 2392 TRP 90 CD2 0.0003 0.0007 0.0046 2393 TRP 90 NE1 0.0022 0.0001 0.0047 2394 TRP 90 CE2 0.0014 0.0006 0.0054 2395 TRP 90 CE3 -0.0008 0.0012 0.0051 2396 TRP 90 CZ2 0.0015 0.0011 0.0065 2397 TRP 90 CZ3 -0.0007 0.0016 0.0063 2398 TRP 90 CH2 0.0004 0.0016 0.0070 2399 TRP 90 H 0.0009 -0.0011 0.0007 2400 TRP 90 HA -0.0008 -0.0000 0.0021 2401 TRP 90 HB3 -0.0013 0.0004 0.0027 2402 TRP 90 HB2 -0.0002 -0.0003 0.0019 2403 TRP 90 HD1 0.0021 -0.0006 0.0028 2404 TRP 90 HE1 0.0030 -0.0001 0.0050 2405 TRP 90 HE3 -0.0016 0.0012 0.0045 2406 TRP 90 HZ2 0.0023 0.0010 0.0071 2407 TRP 90 HZ3 -0.0015 0.0020 0.0066 2408 TRP 90 HH2 0.0005 0.0019 0.0079 2409 GLU 91 N -0.0026 -0.0001 0.0005 2410 GLU 91 CA -0.0037 -0.0001 -0.0003 2411 GLU 91 C -0.0048 0.0005 0.0004 2412 GLU 91 O -0.0049 0.0010 0.0014 2413 GLU 91 CB -0.0040 -0.0002 -0.0010 2414 GLU 91 CG -0.0032 -0.0009 -0.0019 2415 GLU 91 CD -0.0037 -0.0010 -0.0027 2416 GLU 91 OE1 -0.0033 -0.0011 -0.0026 2417 GLU 91 OE2 -0.0046 -0.0010 -0.0035 2418 GLU 91 H -0.0026 0.0001 0.0011 2419 GLU 91 HA -0.0036 -0.0004 -0.0009 2420 GLU 91 HB3 -0.0049 -0.0001 -0.0014 2421 GLU 91 HB2 -0.0039 -0.0000 -0.0003 2422 GLU 91 HG3 -0.0023 -0.0010 -0.0015 2423 GLU 91 HG2 -0.0030 -0.0011 -0.0025 2424 ALA 92 N -0.0053 -0.0019 -0.0004 2425 ALA 92 CA -0.0054 -0.0011 -0.0003 2426 ALA 92 C -0.0083 -0.0009 -0.0003 2427 ALA 92 O -0.0097 -0.0029 -0.0004 2428 ALA 92 CB -0.0038 -0.0030 -0.0005 2429 ALA 92 H -0.0051 -0.0040 -0.0006 2430 ALA 92 HA -0.0044 0.0009 -0.0001 2431 ALA 92 HB1 -0.0038 -0.0025 -0.0005 2432 ALA 92 HB2 -0.0017 -0.0031 -0.0006 2433 ALA 92 HB3 -0.0046 -0.0051 -0.0007 2434 LYS 93 N -0.0090 0.0014 -0.0000 2435 LYS 93 CA -0.0114 0.0016 0.0000 2436 LYS 93 C -0.0105 0.0023 0.0001 2437 LYS 93 O -0.0092 0.0043 0.0003 2438 LYS 93 CB -0.0133 0.0038 0.0003 2439 LYS 93 CG -0.0155 0.0047 0.0004 2440 LYS 93 CD -0.0182 0.0056 0.0006 2441 LYS 93 CE -0.0203 0.0067 0.0007 2442 LYS 93 NZ -0.0208 0.0049 0.0005 2443 LYS 93 H -0.0077 0.0030 0.0001 2444 LYS 93 HA -0.0126 -0.0002 -0.0001 2445 LYS 93 HB3 -0.0120 0.0056 0.0004 2446 LYS 93 HB2 -0.0141 0.0031 0.0002 2447 LYS 93 HG3 -0.0160 0.0030 0.0003 2448 LYS 93 HG2 -0.0148 0.0064 0.0006 2449 LYS 93 HD3 -0.0177 0.0071 0.0007 2450 LYS 93 HD2 -0.0190 0.0039 0.0004 2451 LYS 93 HE3 -0.0196 0.0086 0.0009 2452 LYS 93 HE2 -0.0222 0.0071 0.0008 2453 LYS 93 HZ1 -0.0191 0.0047 0.0005 2454 LYS 93 HZ2 -0.0214 0.0030 0.0004 2455 LYS 93 HZ3 -0.0222 0.0056 0.0006 2456 CYS 94 N -0.0074 -0.0022 -0.0000 2457 CYS 94 CA -0.0062 -0.0016 -0.0001 2458 CYS 94 C -0.0066 0.0000 -0.0010 2459 CYS 94 O -0.0081 0.0003 -0.0014 2460 CYS 94 CB -0.0062 -0.0027 0.0005 2461 CYS 94 SG -0.0064 -0.0048 0.0015 2462 CYS 94 H -0.0081 -0.0032 0.0004 2463 CYS 94 HA -0.0049 -0.0015 0.0002 2464 CYS 94 HB3 -0.0050 -0.0025 0.0007 2465 CYS 94 HB2 -0.0072 -0.0025 0.0002 2466 ARG 95 N -0.0053 0.0011 -0.0012 2467 ARG 95 CA -0.0055 0.0027 -0.0021 2468 ARG 95 C -0.0060 0.0029 -0.0023 2469 ARG 95 O -0.0070 0.0039 -0.0030 2470 ARG 95 CB -0.0038 0.0038 -0.0023 2471 ARG 95 CG -0.0032 0.0039 -0.0022 2472 ARG 95 CD -0.0016 0.0049 -0.0024 2473 ARG 95 NE -0.0010 0.0048 -0.0022 2474 ARG 95 CZ 0.0005 0.0053 -0.0021 2475 ARG 95 NH1 0.0018 0.0061 -0.0023 2476 ARG 95 NH2 0.0008 0.0049 -0.0019 2477 ARG 95 H -0.0041 0.0008 -0.0008 2478 ARG 95 HA -0.0065 0.0032 -0.0026 2479 ARG 95 HB3 -0.0040 0.0049 -0.0029 2480 ARG 95 HB2 -0.0028 0.0034 -0.0019 2481 ARG 95 HG3 -0.0031 0.0027 -0.0016 2482 ARG 95 HG2 -0.0042 0.0043 -0.0027 2483 ARG 95 HD3 -0.0019 0.0061 -0.0031 2484 ARG 95 HD2 -0.0006 0.0047 -0.0021 2485 ARG 95 HH22 0.0018 0.0053 -0.0018 2486 ARG 95 HH21 -0.0000 0.0041 -0.0016 2487 ARG 95 HH12 0.0028 0.0065 -0.0022 2488 ARG 95 HH11 0.0017 0.0063 -0.0024 2489 ARG 95 HE -0.0019 0.0044 -0.0022 2490 HIS 96 N 0.0009 -0.0078 -0.0027 2491 HIS 96 CA 0.0020 -0.0075 -0.0028 2492 HIS 96 C 0.0021 -0.0072 -0.0019 2493 HIS 96 O 0.0014 -0.0073 -0.0012 2494 HIS 96 CB 0.0027 -0.0072 -0.0026 2495 HIS 96 CG 0.0026 -0.0074 -0.0034 2496 HIS 96 ND1 0.0029 -0.0076 -0.0044 2497 HIS 96 CD2 0.0021 -0.0075 -0.0032 2498 HIS 96 CE1 0.0026 -0.0078 -0.0049 2499 HIS 96 NE2 0.0021 -0.0078 -0.0042 2500 HIS 96 H 0.0007 -0.0077 -0.0021 2501 HIS 96 HA 0.0022 -0.0076 -0.0035 2502 HIS 96 HB3 0.0035 -0.0070 -0.0027 2503 HIS 96 HB2 0.0026 -0.0071 -0.0018 2504 HIS 96 HD1 0.0033 -0.0076 -0.0048 2505 HIS 96 HD2 0.0017 -0.0075 -0.0025 2506 HIS 96 HE1 0.0027 -0.0079 -0.0057 2507 LEU 97 N 0.0029 -0.0070 -0.0020 2508 LEU 97 CA 0.0033 -0.0067 -0.0012 2509 LEU 97 C 0.0039 -0.0064 -0.0004 2510 LEU 97 O 0.0036 -0.0062 0.0005 2511 LEU 97 CB 0.0039 -0.0067 -0.0016 2512 LEU 97 CG 0.0034 -0.0070 -0.0024 2513 LEU 97 CD1 0.0041 -0.0069 -0.0030 2514 LEU 97 CD2 0.0026 -0.0071 -0.0017 2515 LEU 97 H 0.0034 -0.0070 -0.0026 2516 LEU 97 HA 0.0026 -0.0068 -0.0007 2517 LEU 97 HB3 0.0042 -0.0064 -0.0010 2518 LEU 97 HB2 0.0046 -0.0066 -0.0021 2519 LEU 97 HG 0.0030 -0.0072 -0.0029 2520 LEU 97 HD11 0.0038 -0.0071 -0.0035 2521 LEU 97 HD12 0.0046 -0.0069 -0.0035 2522 LEU 97 HD13 0.0046 -0.0067 -0.0025 2523 LEU 97 HD21 0.0024 -0.0072 -0.0021 2524 LEU 97 HD22 0.0028 -0.0068 -0.0010 2525 LEU 97 HD23 0.0018 -0.0072 -0.0016 2526 GLY 98 N 0.0060 -0.0126 -0.0071 2527 GLY 98 CA 0.0066 -0.0116 -0.0059 2528 GLY 98 C 0.0046 -0.0119 -0.0052 2529 GLY 98 O 0.0028 -0.0128 -0.0055 2530 GLY 98 H 0.0064 -0.0134 -0.0086 2531 GLY 98 HA3 0.0080 -0.0117 -0.0068 2532 GLY 98 HA2 0.0072 -0.0106 -0.0046 2533 CYS 99 N 0.0050 -0.0112 -0.0043 2534 CYS 99 CA 0.0034 -0.0114 -0.0036 2535 CYS 99 C 0.0040 -0.0118 -0.0047 2536 CYS 99 O 0.0060 -0.0114 -0.0052 2537 CYS 99 CB 0.0032 -0.0100 -0.0014 2538 CYS 99 SG 0.0024 -0.0092 0.0002 2539 CYS 99 H 0.0066 -0.0106 -0.0043 2540 CYS 99 HA 0.0017 -0.0122 -0.0039 2541 CYS 99 HB3 0.0019 -0.0102 -0.0009 2542 CYS 99 HB2 0.0047 -0.0092 -0.0011 2543 ILE 100 N 0.0102 -0.0208 -0.0014 2544 ILE 100 CA 0.0117 -0.0161 0.0018 2545 ILE 100 C 0.0128 -0.0178 0.0012 2546 ILE 100 O 0.0166 -0.0219 0.0001 2547 ILE 100 CB 0.0174 -0.0139 0.0049 2548 ILE 100 CG1 0.0169 -0.0128 0.0054 2549 ILE 100 CG2 0.0188 -0.0087 0.0084 2550 ILE 100 CD1 0.0114 -0.0087 0.0060 2551 ILE 100 H 0.0138 -0.0232 -0.0016 2552 ILE 100 HA 0.0078 -0.0128 0.0025 2553 ILE 100 HB 0.0213 -0.0171 0.0043 2554 ILE 100 HG13 0.0211 -0.0113 0.0076 2555 ILE 100 HG12 0.0169 -0.0167 0.0031 2556 ILE 100 HG21 0.0226 -0.0071 0.0105 2557 ILE 100 HG22 0.0202 -0.0096 0.0083 2558 ILE 100 HG23 0.0149 -0.0055 0.0090 2559 ILE 100 HD11 0.0116 -0.0077 0.0066 2560 ILE 100 HD12 0.0110 -0.0048 0.0081 2561 ILE 100 HD13 0.0072 -0.0104 0.0037 2562 ASN 101 N 0.0093 -0.0147 0.0019 2563 ASN 101 CA 0.0098 -0.0154 0.0016 2564 ASN 101 C 0.0146 -0.0121 0.0050 2565 ASN 101 O 0.0172 -0.0092 0.0076 2566 ASN 101 CB 0.0034 -0.0140 0.0004 2567 ASN 101 CG 0.0005 -0.0079 0.0029 2568 ASN 101 OD1 0.0031 -0.0041 0.0059 2569 ASN 101 ND2 -0.0049 -0.0068 0.0018 2570 ASN 101 H 0.0064 -0.0114 0.0028 2571 ASN 101 HA 0.0116 -0.0197 -0.0003 2572 ASN 101 HB3 0.0002 -0.0163 -0.0020 2573 ASN 101 HB2 0.0037 -0.0157 -0.0005 2574 ASN 101 HD22 -0.0064 -0.0029 0.0036 2575 ASN 101 HD21 -0.0071 -0.0099 -0.0006 2576 ALA 102 N 0.0450 -0.0317 -0.0095 2577 ALA 102 CA 0.0626 -0.0199 0.0006 2578 ALA 102 C 0.0563 0.0083 0.0235 2579 ALA 102 O 0.0786 0.0221 0.0353 2580 ALA 102 CB 0.0544 -0.0331 -0.0105 2581 ALA 102 H 0.0314 -0.0463 -0.0218 2582 ALA 102 HA 0.0883 -0.0225 -0.0009 2583 ALA 102 HB1 0.0678 -0.0254 -0.0038 2584 ALA 102 HB2 0.0602 -0.0530 -0.0266 2585 ALA 102 HB3 0.0288 -0.0311 -0.0094 2586 ASP 103 N 0.0262 0.0162 0.0291 2587 ASP 103 CA 0.0144 0.0421 0.0501 2588 ASP 103 C 0.0253 0.0578 0.0632 2589 ASP 103 O 0.0190 0.0803 0.0814 2590 ASP 103 CB -0.0229 0.0444 0.0510 2591 ASP 103 CG -0.0391 0.0264 0.0358 2592 ASP 103 OD1 -0.0253 0.0211 0.0319 2593 ASP 103 OD2 -0.0665 0.0191 0.0292 2594 ASP 103 H 0.0090 0.0035 0.0183 2595 ASP 103 HA 0.0248 0.0505 0.0572 2596 ASP 103 HB3 -0.0294 0.0631 0.0661 2597 ASP 103 HB2 -0.0338 0.0420 0.0487 2598 GLY 104 N 0.0287 0.0181 0.0354 2599 GLY 104 CA 0.0368 0.0195 0.0400 2600 GLY 104 C 0.0250 0.0206 0.0367 2601 GLY 104 O 0.0288 0.0240 0.0420 2602 GLY 104 H 0.0302 0.0098 0.0267 2603 GLY 104 HA3 0.0414 0.0272 0.0506 2604 GLY 104 HA2 0.0473 0.0119 0.0356 2605 ASN 105 N 0.0105 0.0183 0.0285 2606 ASN 105 CA -0.0020 0.0189 0.0243 2607 ASN 105 C 0.0004 0.0067 0.0114 2608 ASN 105 O 0.0069 -0.0021 0.0041 2609 ASN 105 CB -0.0193 0.0234 0.0226 2610 ASN 105 CG -0.0245 0.0364 0.0352 2611 ASN 105 OD1 -0.0390 0.0414 0.0351 2612 ASN 105 ND2 -0.0132 0.0423 0.0462 2613 ASN 105 H 0.0085 0.0146 0.0235 2614 ASN 105 HA -0.0007 0.0250 0.0316 2615 ASN 105 HB3 -0.0286 0.0222 0.0176 2616 ASN 105 HB2 -0.0204 0.0182 0.0162 2617 ASN 105 HD22 -0.0166 0.0506 0.0541 2618 ASN 105 HD21 -0.0010 0.0381 0.0462 2619 VAL 106 N 0.0087 -0.0145 -0.0084 2620 VAL 106 CA 0.0090 -0.0152 -0.0098 2621 VAL 106 C 0.0080 -0.0148 -0.0109 2622 VAL 106 O 0.0071 -0.0142 -0.0111 2623 VAL 106 CB 0.0095 -0.0157 -0.0101 2624 VAL 106 CG1 0.0098 -0.0164 -0.0115 2625 VAL 106 CG2 0.0105 -0.0161 -0.0089 2626 VAL 106 H 0.0084 -0.0142 -0.0081 2627 VAL 106 HA 0.0098 -0.0158 -0.0098 2628 VAL 106 HB 0.0087 -0.0151 -0.0100 2629 VAL 106 HG11 0.0101 -0.0167 -0.0116 2630 VAL 106 HG12 0.0090 -0.0161 -0.0123 2631 VAL 106 HG13 0.0104 -0.0169 -0.0117 2632 VAL 106 HG21 0.0107 -0.0163 -0.0091 2633 VAL 106 HG22 0.0113 -0.0167 -0.0090 2634 VAL 106 HG23 0.0104 -0.0156 -0.0079 2635 ASP 107 N 0.0080 -0.0151 -0.0116 2636 ASP 107 CA 0.0072 -0.0149 -0.0128 2637 ASP 107 C 0.0076 -0.0156 -0.0141 2638 ASP 107 O 0.0086 -0.0165 -0.0142 2639 ASP 107 CB 0.0071 -0.0149 -0.0131 2640 ASP 107 CG 0.0062 -0.0147 -0.0144 2641 ASP 107 OD1 0.0054 -0.0143 -0.0149 2642 ASP 107 OD2 0.0063 -0.0149 -0.0149 2643 ASP 107 H 0.0088 -0.0156 -0.0114 2644 ASP 107 HA 0.0063 -0.0142 -0.0127 2645 ASP 107 HB3 0.0080 -0.0156 -0.0132 2646 ASP 107 HB2 0.0069 -0.0145 -0.0122 2647 TYR 108 N 0.0220 -0.0190 -0.0243 2648 TYR 108 CA 0.0287 -0.0117 -0.0159 2649 TYR 108 C 0.0321 -0.0006 -0.0072 2650 TYR 108 O 0.0358 0.0073 -0.0002 2651 TYR 108 CB 0.0405 -0.0210 -0.0145 2652 TYR 108 CG 0.0518 -0.0273 -0.0115 2653 TYR 108 CD1 0.0527 -0.0393 -0.0183 2654 TYR 108 CD2 0.0616 -0.0210 -0.0019 2655 TYR 108 CE1 0.0633 -0.0451 -0.0155 2656 TYR 108 CE2 0.0721 -0.0266 0.0009 2657 TYR 108 CZ 0.0729 -0.0387 -0.0059 2658 TYR 108 OH 0.0829 -0.0441 -0.0032 2659 TYR 108 H 0.0274 -0.0251 -0.0247 2660 TYR 108 HA 0.0222 -0.0071 -0.0170 2661 TYR 108 HB3 0.0375 -0.0286 -0.0209 2662 TYR 108 HB2 0.0442 -0.0158 -0.0091 2663 TYR 108 HD1 0.0453 -0.0443 -0.0257 2664 TYR 108 HD2 0.0611 -0.0117 0.0033 2665 TYR 108 HE1 0.0639 -0.0543 -0.0207 2666 TYR 108 HE2 0.0795 -0.0216 0.0083 2667 TYR 108 HH 0.0854 -0.0376 0.0022 2668 HIS 109 N 0.0308 -0.0001 -0.0077 2669 HIS 109 CA 0.0331 0.0106 0.0001 2670 HIS 109 C 0.0220 0.0229 0.0010 2671 HIS 109 O 0.0241 0.0334 0.0085 2672 HIS 109 CB 0.0355 0.0066 -0.0008 2673 HIS 109 CG 0.0463 -0.0054 -0.0016 2674 HIS 109 ND1 0.0439 -0.0172 -0.0101 2675 HIS 109 CD2 0.0595 -0.0076 0.0049 2676 HIS 109 CE1 0.0553 -0.0258 -0.0086 2677 HIS 109 NE2 0.0653 -0.0206 0.0005 2678 HIS 109 H 0.0277 -0.0068 -0.0136 2679 HIS 109 HA 0.0418 0.0128 0.0067 2680 HIS 109 HB3 0.0375 0.0145 0.0052 2681 HIS 109 HB2 0.0266 0.0051 -0.0070 2682 HIS 109 HD1 0.0349 -0.0189 -0.0165 2683 HIS 109 HD2 0.0654 -0.0009 0.0124 2684 HIS 109 HE1 0.0564 -0.0360 -0.0141 2685 MET 110 N 0.0075 -0.0003 -0.0016 2686 MET 110 CA 0.0053 0.0003 -0.0009 2687 MET 110 C 0.0044 -0.0003 -0.0016 2688 MET 110 O 0.0053 -0.0013 -0.0027 2689 MET 110 CB 0.0037 -0.0001 -0.0014 2690 MET 110 CG 0.0045 0.0005 -0.0007 2691 MET 110 SD 0.0046 0.0025 0.0016 2692 MET 110 CE 0.0016 0.0028 0.0020 2693 MET 110 H 0.0075 -0.0014 -0.0028 2694 MET 110 HA 0.0054 0.0015 0.0005 2695 MET 110 HB3 0.0021 0.0003 -0.0009 2696 MET 110 HB2 0.0035 -0.0013 -0.0027 2697 MET 110 HG3 0.0034 0.0001 -0.0012 2698 MET 110 HG2 0.0062 0.0001 -0.0011 2699 MET 110 HE1 0.0013 0.0040 0.0033 2700 MET 110 HE2 0.0008 0.0022 0.0012 2701 MET 110 HE3 0.0008 0.0026 0.0017 2702 ASN 111 N 0.0027 0.0004 -0.0008 2703 ASN 111 CA 0.0017 0.0000 -0.0012 2704 ASN 111 C -0.0009 -0.0001 -0.0014 2705 ASN 111 O -0.0019 0.0009 -0.0002 2706 ASN 111 CB 0.0021 0.0012 0.0001 2707 ASN 111 CG 0.0045 0.0013 0.0003 2708 ASN 111 OD1 0.0050 0.0023 0.0014 2709 ASN 111 ND2 0.0061 0.0004 -0.0008 2710 ASN 111 H 0.0019 0.0013 0.0002 2711 ASN 111 HA 0.0023 -0.0010 -0.0024 2712 ASN 111 HB3 0.0011 0.0009 -0.0002 2713 ASN 111 HB2 0.0016 0.0022 0.0013 2714 ASN 111 HD22 0.0077 0.0006 -0.0006 2715 ASN 111 HD21 0.0058 -0.0004 -0.0017 2716 SER 112 N -0.0013 -0.0053 0.0000 2717 SER 112 CA -0.0018 -0.0053 -0.0001 2718 SER 112 C -0.0018 -0.0049 0.0002 2719 SER 112 O -0.0015 -0.0050 0.0002 2720 SER 112 CB -0.0019 -0.0057 -0.0004 2721 SER 112 OG -0.0020 -0.0060 -0.0007 2722 SER 112 H -0.0010 -0.0056 -0.0001 2723 SER 112 HA -0.0021 -0.0051 -0.0001 2724 SER 112 HB3 -0.0022 -0.0056 -0.0005 2725 SER 112 HB2 -0.0016 -0.0058 -0.0005 2726 SER 112 HG -0.0017 -0.0061 -0.0007 2727 VAL 113 N -0.0021 -0.0046 0.0004 2728 VAL 113 CA -0.0022 -0.0042 0.0006 2729 VAL 113 C -0.0027 -0.0041 0.0005 2730 VAL 113 O -0.0031 -0.0041 0.0004 2731 VAL 113 CB -0.0020 -0.0038 0.0010 2732 VAL 113 CG1 -0.0014 -0.0039 0.0011 2733 VAL 113 CG2 -0.0023 -0.0036 0.0011 2734 VAL 113 H -0.0023 -0.0045 0.0004 2735 VAL 113 HA -0.0019 -0.0044 0.0006 2736 VAL 113 HB -0.0021 -0.0036 0.0011 2737 VAL 113 HG11 -0.0013 -0.0036 0.0014 2738 VAL 113 HG12 -0.0012 -0.0040 0.0011 2739 VAL 113 HG13 -0.0013 -0.0041 0.0010 2740 VAL 113 HG21 -0.0021 -0.0033 0.0013 2741 VAL 113 HG22 -0.0023 -0.0038 0.0009 2742 VAL 113 HG23 -0.0027 -0.0035 0.0010 2743 PRO 114 N -0.0055 -0.0041 -0.0008 2744 PRO 114 CA -0.0049 -0.0037 -0.0010 2745 PRO 114 C -0.0046 -0.0045 -0.0013 2746 PRO 114 O -0.0051 -0.0050 -0.0013 2747 PRO 114 CB -0.0052 -0.0031 -0.0006 2748 PRO 114 CG -0.0062 -0.0035 -0.0004 2749 PRO 114 CD -0.0063 -0.0038 -0.0004 2750 PRO 114 HA -0.0043 -0.0034 -0.0011 2751 PRO 114 HB3 -0.0052 -0.0025 -0.0005 2752 PRO 114 HB2 -0.0050 -0.0031 -0.0007 2753 PRO 114 HG3 -0.0066 -0.0030 -0.0000 2754 PRO 114 HG2 -0.0063 -0.0040 -0.0005 2755 PRO 114 HD2 -0.0068 -0.0044 -0.0004 2756 PRO 114 HD3 -0.0066 -0.0034 -0.0002 2757 ILE 115 N -0.0037 -0.0045 -0.0017 2758 ILE 115 CA -0.0033 -0.0051 -0.0020 2759 ILE 115 C -0.0033 -0.0047 -0.0019 2760 ILE 115 O -0.0030 -0.0040 -0.0018 2761 ILE 115 CB -0.0024 -0.0052 -0.0024 2762 ILE 115 CG1 -0.0024 -0.0056 -0.0025 2763 ILE 115 CG2 -0.0020 -0.0058 -0.0028 2764 ILE 115 CD1 -0.0016 -0.0056 -0.0029 2765 ILE 115 H -0.0034 -0.0040 -0.0017 2766 ILE 115 HA -0.0037 -0.0057 -0.0021 2767 ILE 115 HB -0.0021 -0.0046 -0.0024 2768 ILE 115 HG13 -0.0028 -0.0052 -0.0023 2769 ILE 115 HG12 -0.0028 -0.0062 -0.0026 2770 ILE 115 HG21 -0.0014 -0.0058 -0.0031 2771 ILE 115 HG22 -0.0020 -0.0056 -0.0027 2772 ILE 115 HG23 -0.0023 -0.0065 -0.0029 2773 ILE 115 HD11 -0.0015 -0.0057 -0.0030 2774 ILE 115 HD12 -0.0012 -0.0049 -0.0029 2775 ILE 115 HD13 -0.0012 -0.0060 -0.0032 2776 GLN 116 N -0.0038 -0.0048 -0.0036 2777 GLN 116 CA -0.0034 -0.0041 -0.0034 2778 GLN 116 C -0.0029 -0.0041 -0.0042 2779 GLN 116 O -0.0030 -0.0048 -0.0048 2780 GLN 116 CB -0.0039 -0.0043 -0.0027 2781 GLN 116 CG -0.0045 -0.0044 -0.0019 2782 GLN 116 CD -0.0046 -0.0039 -0.0011 2783 GLN 116 OE1 -0.0048 -0.0041 -0.0009 2784 GLN 116 NE2 -0.0046 -0.0034 -0.0005 2785 GLN 116 H -0.0041 -0.0053 -0.0039 2786 GLN 116 HA -0.0031 -0.0036 -0.0031 2787 GLN 116 HB3 -0.0036 -0.0037 -0.0025 2788 GLN 116 HB2 -0.0041 -0.0047 -0.0030 2789 GLN 116 HG3 -0.0049 -0.0050 -0.0020 2790 GLN 116 HG2 -0.0044 -0.0042 -0.0019 2791 GLN 116 HE22 -0.0047 -0.0031 0.0001 2792 GLN 116 HE21 -0.0043 -0.0032 -0.0006 2793 GLN 117 N -0.0022 -0.0034 -0.0043 2794 GLN 117 CA -0.0017 -0.0033 -0.0051 2795 GLN 117 C -0.0014 -0.0027 -0.0048 2796 GLN 117 O -0.0013 -0.0021 -0.0041 2797 GLN 117 CB -0.0011 -0.0029 -0.0055 2798 GLN 117 CG -0.0005 -0.0029 -0.0064 2799 GLN 117 CD -0.0007 -0.0036 -0.0071 2800 GLN 117 OE1 -0.0007 -0.0038 -0.0072 2801 GLN 117 NE2 -0.0009 -0.0042 -0.0075 2802 GLN 117 H -0.0021 -0.0029 -0.0038 2803 GLN 117 HA -0.0018 -0.0038 -0.0055 2804 GLN 117 HB3 -0.0009 -0.0023 -0.0051 2805 GLN 117 HB2 -0.0014 -0.0033 -0.0056 2806 GLN 117 HG3 -0.0002 -0.0024 -0.0063 2807 GLN 117 HG2 -0.0002 -0.0026 -0.0067 2808 GLN 117 HE22 -0.0011 -0.0047 -0.0079 2809 GLN 117 HE21 -0.0009 -0.0041 -0.0073 2810 GLU 118 N -0.0010 0.0010 -0.0057 2811 GLU 118 CA -0.0000 0.0017 -0.0058 2812 GLU 118 C -0.0000 0.0019 -0.0060 2813 GLU 118 O -0.0006 0.0023 -0.0068 2814 GLU 118 CB 0.0002 0.0025 -0.0064 2815 GLU 118 CG 0.0006 0.0024 -0.0060 2816 GLU 118 CD 0.0012 0.0033 -0.0065 2817 GLU 118 OE1 0.0010 0.0039 -0.0073 2818 GLU 118 OE2 0.0019 0.0033 -0.0061 2819 GLU 118 H -0.0016 0.0012 -0.0063 2820 GLU 118 HA 0.0006 0.0015 -0.0051 2821 GLU 118 HB3 0.0007 0.0031 -0.0066 2822 GLU 118 HB2 -0.0005 0.0026 -0.0070 2823 GLU 118 HG3 -0.0000 0.0020 -0.0060 2824 GLU 118 HG2 0.0011 0.0021 -0.0053 2825 ILE 119 N 0.0006 0.0018 -0.0054 2826 ILE 119 CA 0.0007 0.0020 -0.0056 2827 ILE 119 C 0.0018 0.0026 -0.0055 2828 ILE 119 O 0.0025 0.0027 -0.0050 2829 ILE 119 CB 0.0003 0.0013 -0.0051 2830 ILE 119 CG1 0.0009 0.0007 -0.0040 2831 ILE 119 CG2 -0.0008 0.0007 -0.0053 2832 ILE 119 CD1 0.0009 0.0002 -0.0036 2833 ILE 119 H 0.0011 0.0016 -0.0048 2834 ILE 119 HA 0.0002 0.0024 -0.0063 2835 ILE 119 HB 0.0004 0.0015 -0.0053 2836 ILE 119 HG13 0.0017 0.0011 -0.0039 2837 ILE 119 HG12 0.0007 0.0003 -0.0037 2838 ILE 119 HG21 -0.0011 0.0002 -0.0050 2839 ILE 119 HG22 -0.0013 0.0011 -0.0060 2840 ILE 119 HG23 -0.0010 0.0004 -0.0051 2841 ILE 119 HD11 0.0011 -0.0003 -0.0029 2842 ILE 119 HD12 0.0014 0.0007 -0.0037 2843 ILE 119 HD13 0.0001 -0.0001 -0.0038 2844 LEU 120 N 0.0007 0.0039 -0.0029 2845 LEU 120 CA 0.0011 0.0041 -0.0029 2846 LEU 120 C 0.0011 0.0037 -0.0026 2847 LEU 120 O 0.0008 0.0035 -0.0026 2848 LEU 120 CB 0.0010 0.0044 -0.0032 2849 LEU 120 CG 0.0010 0.0048 -0.0035 2850 LEU 120 CD1 0.0008 0.0051 -0.0037 2851 LEU 120 CD2 0.0014 0.0049 -0.0034 2852 LEU 120 H 0.0004 0.0039 -0.0030 2853 LEU 120 HA 0.0014 0.0042 -0.0029 2854 LEU 120 HB3 0.0013 0.0045 -0.0031 2855 LEU 120 HB2 0.0007 0.0043 -0.0032 2856 LEU 120 HG 0.0007 0.0047 -0.0035 2857 LEU 120 HD11 0.0007 0.0053 -0.0039 2858 LEU 120 HD12 0.0006 0.0050 -0.0037 2859 LEU 120 HD13 0.0011 0.0052 -0.0038 2860 LEU 120 HD21 0.0014 0.0052 -0.0037 2861 LEU 120 HD22 0.0017 0.0049 -0.0033 2862 LEU 120 HD23 0.0014 0.0048 -0.0033 2863 VAL 121 N 0.0016 0.0037 -0.0025 2864 VAL 121 CA 0.0017 0.0035 -0.0023 2865 VAL 121 C 0.0021 0.0037 -0.0023 2866 VAL 121 O 0.0023 0.0040 -0.0025 2867 VAL 121 CB 0.0019 0.0031 -0.0020 2868 VAL 121 CG1 0.0015 0.0029 -0.0019 2869 VAL 121 CG2 0.0023 0.0032 -0.0019 2870 VAL 121 H 0.0018 0.0039 -0.0026 2871 VAL 121 HA 0.0014 0.0034 -0.0023 2872 VAL 121 HB 0.0020 0.0030 -0.0018 2873 VAL 121 HG11 0.0016 0.0026 -0.0017 2874 VAL 121 HG12 0.0012 0.0028 -0.0019 2875 VAL 121 HG13 0.0013 0.0030 -0.0020 2876 VAL 121 HG21 0.0023 0.0030 -0.0017 2877 VAL 121 HG22 0.0022 0.0034 -0.0020 2878 VAL 121 HG23 0.0026 0.0034 -0.0019 2879 LEU 122 N 0.0016 0.0035 0.0002 2880 LEU 122 CA 0.0015 0.0035 0.0002 2881 LEU 122 C 0.0023 0.0028 -0.0002 2882 LEU 122 O 0.0022 0.0020 -0.0006 2883 LEU 122 CB 0.0004 0.0031 0.0002 2884 LEU 122 CG -0.0005 0.0037 0.0006 2885 LEU 122 CD1 -0.0015 0.0032 0.0006 2886 LEU 122 CD2 -0.0004 0.0047 0.0011 2887 LEU 122 H 0.0013 0.0029 -0.0000 2888 LEU 122 HA 0.0017 0.0042 0.0005 2889 LEU 122 HB3 0.0003 0.0030 0.0002 2890 LEU 122 HB2 0.0003 0.0024 -0.0001 2891 LEU 122 HG -0.0004 0.0038 0.0007 2892 LEU 122 HD11 -0.0021 0.0037 0.0009 2893 LEU 122 HD12 -0.0016 0.0026 0.0003 2894 LEU 122 HD13 -0.0017 0.0031 0.0005 2895 LEU 122 HD21 -0.0010 0.0051 0.0014 2896 LEU 122 HD22 -0.0005 0.0046 0.0011 2897 LEU 122 HD23 0.0004 0.0051 0.0012 2898 ARG 123 N 0.0029 0.0031 -0.0002 2899 ARG 123 CA 0.0034 0.0024 -0.0005 2900 ARG 123 C 0.0030 0.0024 -0.0005 2901 ARG 123 O 0.0027 0.0031 -0.0001 2902 ARG 123 CB 0.0046 0.0028 -0.0006 2903 ARG 123 CG 0.0052 0.0021 -0.0010 2904 ARG 123 CD 0.0064 0.0021 -0.0011 2905 ARG 123 NE 0.0066 0.0020 -0.0012 2906 ARG 123 CZ 0.0065 0.0012 -0.0016 2907 ARG 123 NH1 0.0063 0.0004 -0.0019 2908 ARG 123 NH2 0.0067 0.0013 -0.0015 2909 ARG 123 H 0.0028 0.0038 0.0002 2910 ARG 123 HA 0.0034 0.0017 -0.0009 2911 ARG 123 HB3 0.0047 0.0035 -0.0002 2912 ARG 123 HB2 0.0049 0.0028 -0.0006 2913 ARG 123 HG3 0.0049 0.0013 -0.0013 2914 ARG 123 HG2 0.0051 0.0022 -0.0009 2915 ARG 123 HD3 0.0067 0.0016 -0.0014 2916 ARG 123 HD2 0.0067 0.0028 -0.0009 2917 ARG 123 HH22 0.0067 0.0007 -0.0018 2918 ARG 123 HH21 0.0068 0.0020 -0.0013 2919 ARG 123 HH12 0.0062 -0.0002 -0.0022 2920 ARG 123 HH11 0.0061 0.0002 -0.0020 2921 ARG 123 HE 0.0068 0.0026 -0.0010 2922 ARG 124 N 0.0006 0.0038 0.0000 2923 ARG 124 CA 0.0006 0.0038 0.0000 2924 ARG 124 C 0.0003 0.0036 0.0001 2925 ARG 124 O 0.0000 0.0037 0.0001 2926 ARG 124 CB 0.0005 0.0042 0.0000 2927 ARG 124 CG 0.0008 0.0044 0.0000 2928 ARG 124 CD 0.0007 0.0047 0.0000 2929 ARG 124 NE 0.0010 0.0049 -0.0000 2930 ARG 124 CZ 0.0013 0.0050 -0.0000 2931 ARG 124 NH1 0.0014 0.0048 -0.0000 2932 ARG 124 NH2 0.0015 0.0052 -0.0000 2933 ARG 124 H 0.0006 0.0040 0.0000 2934 ARG 124 HA 0.0008 0.0037 0.0000 2935 ARG 124 HB3 0.0005 0.0042 0.0000 2936 ARG 124 HB2 0.0003 0.0043 0.0001 2937 ARG 124 HG3 0.0009 0.0044 0.0000 2938 ARG 124 HG2 0.0010 0.0043 0.0000 2939 ARG 124 HD3 0.0008 0.0048 0.0000 2940 ARG 124 HD2 0.0005 0.0048 0.0000 2941 ARG 124 HH22 0.0017 0.0052 -0.0000 2942 ARG 124 HH21 0.0014 0.0053 -0.0000 2943 ARG 124 HH12 0.0017 0.0048 -0.0000 2944 ARG 124 HH11 0.0013 0.0047 -0.0000 2945 ARG 124 HE 0.0009 0.0051 0.0000 2946 GLU 125 N 0.0003 0.0034 0.0001 2947 GLU 125 CA 0.0001 0.0032 0.0001 2948 GLU 125 C 0.0001 0.0032 0.0001 2949 GLU 125 O 0.0004 0.0031 0.0001 2950 GLU 125 CB 0.0001 0.0029 0.0001 2951 GLU 125 CG -0.0002 0.0027 0.0001 2952 GLU 125 CD -0.0002 0.0024 0.0001 2953 GLU 125 OE1 -0.0003 0.0024 0.0001 2954 GLU 125 OE2 -0.0002 0.0021 0.0001 2955 GLU 125 H 0.0005 0.0034 0.0001 2956 GLU 125 HA -0.0002 0.0033 0.0001 2957 GLU 125 HB3 0.0003 0.0028 0.0001 2958 GLU 125 HB2 0.0000 0.0029 0.0001 2959 GLU 125 HG3 -0.0004 0.0028 0.0001 2960 GLU 125 HG2 -0.0001 0.0026 0.0001 2961 PRO 126 N -0.0019 0.0057 0.0030 2962 PRO 126 CA -0.0029 0.0061 0.0040 2963 PRO 126 C -0.0026 0.0067 0.0036 2964 PRO 126 O -0.0016 0.0070 0.0024 2965 PRO 126 CB -0.0037 0.0075 0.0046 2966 PRO 126 CG -0.0028 0.0083 0.0036 2967 PRO 126 CD -0.0019 0.0069 0.0028 2968 PRO 126 HA -0.0034 0.0050 0.0047 2969 PRO 126 HB3 -0.0043 0.0069 0.0053 2970 PRO 126 HB2 -0.0042 0.0084 0.0050 2971 PRO 126 HG3 -0.0032 0.0090 0.0039 2972 PRO 126 HG2 -0.0023 0.0093 0.0030 2973 PRO 126 HD2 -0.0010 0.0073 0.0018 2974 PRO 126 HD3 -0.0022 0.0062 0.0032 2975 PRO 127 N -0.0034 0.0067 0.0044 2976 PRO 127 CA -0.0032 0.0074 0.0041 2977 PRO 127 C -0.0027 0.0092 0.0034 2978 PRO 127 O -0.0031 0.0102 0.0036 2979 PRO 127 CB -0.0044 0.0074 0.0054 2980 PRO 127 CG -0.0050 0.0061 0.0062 2981 PRO 127 CD -0.0046 0.0062 0.0058 2982 PRO 127 HA -0.0026 0.0065 0.0036 2983 PRO 127 HB3 -0.0043 0.0072 0.0053 2984 PRO 127 HB2 -0.0049 0.0087 0.0058 2985 PRO 127 HG3 -0.0047 0.0048 0.0060 2986 PRO 127 HG2 -0.0060 0.0062 0.0072 2987 PRO 127 HD2 -0.0052 0.0072 0.0062 2988 PRO 127 HD3 -0.0046 0.0050 0.0060 2989 HIS 128 N -0.0038 0.0080 0.0025 2990 HIS 128 CA -0.0033 0.0096 0.0014 2991 HIS 128 C -0.0025 0.0096 0.0008 2992 HIS 128 O -0.0020 0.0109 -0.0001 2993 HIS 128 CB -0.0046 0.0112 0.0017 2994 HIS 128 CG -0.0056 0.0112 0.0024 2995 HIS 128 ND1 -0.0050 0.0105 0.0023 2996 HIS 128 CD2 -0.0071 0.0117 0.0034 2997 HIS 128 CE1 -0.0062 0.0106 0.0031 2998 HIS 128 NE2 -0.0075 0.0114 0.0038 2999 HIS 128 H -0.0033 0.0072 0.0025 3000 HIS 128 HA -0.0024 0.0095 0.0008 3001 HIS 128 HB3 -0.0041 0.0124 0.0008 3002 HIS 128 HB2 -0.0053 0.0115 0.0021 3003 HIS 128 HD1 -0.0039 0.0099 0.0017 3004 HIS 128 HD2 -0.0080 0.0123 0.0038 3005 HIS 128 HE1 -0.0061 0.0102 0.0033 3006 SER 129 N -0.0023 0.0082 0.0013 3007 SER 129 CA -0.0015 0.0081 0.0007 3008 SER 129 C 0.0002 0.0081 -0.0006 3009 SER 129 O 0.0010 0.0070 -0.0007 3010 SER 129 CB -0.0016 0.0065 0.0015 3011 SER 129 OG -0.0008 0.0064 0.0010 3012 SER 129 H -0.0027 0.0072 0.0021 3013 SER 129 HA -0.0021 0.0092 0.0007 3014 SER 129 HB3 -0.0011 0.0053 0.0017 3015 SER 129 HB2 -0.0028 0.0065 0.0024 3016 SER 129 HG -0.0010 0.0054 0.0015 3017 PRO 130 N -0.0033 0.0070 0.0013 3018 PRO 130 CA -0.0018 0.0076 0.0023 3019 PRO 130 C -0.0008 0.0065 0.0032 3020 PRO 130 O 0.0003 0.0072 0.0040 3021 PRO 130 CB -0.0014 0.0077 0.0027 3022 PRO 130 CG -0.0023 0.0062 0.0021 3023 PRO 130 CD -0.0037 0.0062 0.0010 3024 PRO 130 HA -0.0018 0.0090 0.0023 3025 PRO 130 HB3 -0.0017 0.0090 0.0023 3026 PRO 130 HB2 -0.0002 0.0076 0.0036 3027 PRO 130 HG3 -0.0024 0.0063 0.0020 3028 PRO 130 HG2 -0.0017 0.0049 0.0026 3029 PRO 130 HD2 -0.0042 0.0048 0.0008 3030 PRO 130 HD3 -0.0044 0.0071 0.0004 3031 ASN 131 N -0.0012 0.0048 0.0030 3032 ASN 131 CA -0.0002 0.0035 0.0038 3033 ASN 131 C -0.0008 0.0023 0.0035 3034 ASN 131 O -0.0000 0.0011 0.0042 3035 ASN 131 CB 0.0003 0.0024 0.0044 3036 ASN 131 CG -0.0007 0.0010 0.0037 3037 ASN 131 OD1 -0.0020 0.0009 0.0027 3038 ASN 131 ND2 -0.0002 0.0000 0.0041 3039 ASN 131 H -0.0022 0.0043 0.0023 3040 ASN 131 HA 0.0007 0.0042 0.0045 3041 ASN 131 HB3 0.0008 0.0033 0.0046 3042 ASN 131 HB2 0.0012 0.0016 0.0051 3043 ASN 131 HD22 -0.0009 -0.0008 0.0036 3044 ASN 131 HD21 0.0008 0.0001 0.0049 3045 SER 132 N -0.0008 0.0024 0.0008 3046 SER 132 CA -0.0009 0.0021 0.0007 3047 SER 132 C -0.0011 0.0025 0.0006 3048 SER 132 O -0.0013 0.0028 0.0004 3049 SER 132 CB -0.0012 0.0017 0.0006 3050 SER 132 OG -0.0016 0.0019 0.0003 3051 SER 132 H -0.0009 0.0027 0.0007 3052 SER 132 HA -0.0007 0.0019 0.0009 3053 SER 132 HB3 -0.0011 0.0015 0.0007 3054 SER 132 HB2 -0.0013 0.0014 0.0005 3055 SER 132 HG -0.0018 0.0020 0.0001 3056 PHE 133 N -0.0009 0.0024 0.0007 3057 PHE 133 CA -0.0010 0.0028 0.0006 3058 PHE 133 C -0.0012 0.0024 0.0005 3059 PHE 133 O -0.0010 0.0020 0.0007 3060 PHE 133 CB -0.0006 0.0031 0.0008 3061 PHE 133 CG -0.0005 0.0035 0.0009 3062 PHE 133 CD1 -0.0002 0.0033 0.0011 3063 PHE 133 CD2 -0.0006 0.0040 0.0008 3064 PHE 133 CE1 -0.0001 0.0036 0.0012 3065 PHE 133 CE2 -0.0005 0.0043 0.0008 3066 PHE 133 CZ -0.0002 0.0041 0.0011 3067 PHE 133 H -0.0007 0.0022 0.0009 3068 PHE 133 HA -0.0013 0.0030 0.0004 3069 PHE 133 HB3 -0.0007 0.0033 0.0007 3070 PHE 133 HB2 -0.0004 0.0029 0.0010 3071 PHE 133 HD1 -0.0001 0.0029 0.0012 3072 PHE 133 HD2 -0.0008 0.0041 0.0006 3073 PHE 133 HE1 0.0001 0.0035 0.0014 3074 PHE 133 HE2 -0.0005 0.0047 0.0007 3075 PHE 133 HZ -0.0001 0.0044 0.0011 3076 ARG 134 N 0.0015 0.0006 -0.0023 3077 ARG 134 CA 0.0015 0.0014 -0.0025 3078 ARG 134 C 0.0012 0.0021 -0.0022 3079 ARG 134 O 0.0011 0.0020 -0.0021 3080 ARG 134 CB 0.0020 0.0016 -0.0034 3081 ARG 134 CG 0.0020 0.0025 -0.0037 3082 ARG 134 CD 0.0025 0.0027 -0.0045 3083 ARG 134 NE 0.0028 0.0021 -0.0049 3084 ARG 134 CZ 0.0030 0.0023 -0.0052 3085 ARG 134 NH1 0.0028 0.0030 -0.0052 3086 ARG 134 NH2 0.0033 0.0016 -0.0056 3087 ARG 134 H 0.0015 0.0005 -0.0024 3088 ARG 134 HA 0.0013 0.0015 -0.0023 3089 ARG 134 HB3 0.0021 0.0016 -0.0036 3090 ARG 134 HB2 0.0022 0.0011 -0.0036 3091 ARG 134 HG3 0.0019 0.0024 -0.0035 3092 ARG 134 HG2 0.0017 0.0030 -0.0034 3093 ARG 134 HD3 0.0024 0.0034 -0.0047 3094 ARG 134 HD2 0.0026 0.0026 -0.0047 3095 ARG 134 HH22 0.0035 0.0018 -0.0061 3096 ARG 134 HH21 0.0033 0.0010 -0.0055 3097 ARG 134 HH12 0.0029 0.0031 -0.0054 3098 ARG 134 HH11 0.0025 0.0034 -0.0048 3099 ARG 134 HE 0.0029 0.0016 -0.0050 3100 LEU 135 N 0.0009 0.0028 -0.0020 3101 LEU 135 CA 0.0007 0.0036 -0.0018 3102 LEU 135 C 0.0011 0.0040 -0.0025 3103 LEU 135 O 0.0014 0.0042 -0.0031 3104 LEU 135 CB 0.0004 0.0043 -0.0015 3105 LEU 135 CG -0.0001 0.0041 -0.0007 3106 LEU 135 CD1 -0.0003 0.0048 -0.0005 3107 LEU 135 CD2 -0.0004 0.0042 -0.0001 3108 LEU 135 H 0.0009 0.0029 -0.0020 3109 LEU 135 HA 0.0005 0.0034 -0.0014 3110 LEU 135 HB3 0.0003 0.0049 -0.0015 3111 LEU 135 HB2 0.0006 0.0044 -0.0019 3112 LEU 135 HG 0.0000 0.0035 -0.0006 3113 LEU 135 HD11 -0.0005 0.0046 0.0000 3114 LEU 135 HD12 -0.0000 0.0049 -0.0010 3115 LEU 135 HD13 -0.0004 0.0054 -0.0005 3116 LEU 135 HD21 -0.0007 0.0039 0.0005 3117 LEU 135 HD22 -0.0005 0.0048 -0.0000 3118 LEU 135 HD23 -0.0003 0.0038 -0.0002 3119 GLU 136 N 0.0051 0.0066 -0.0046 3120 GLU 136 CA 0.0056 0.0064 -0.0044 3121 GLU 136 C 0.0047 0.0063 -0.0045 3122 GLU 136 O 0.0039 0.0059 -0.0045 3123 GLU 136 CB 0.0061 0.0055 -0.0039 3124 GLU 136 CG 0.0071 0.0055 -0.0038 3125 GLU 136 CD 0.0077 0.0047 -0.0033 3126 GLU 136 OE1 0.0073 0.0039 -0.0030 3127 GLU 136 OE2 0.0086 0.0048 -0.0032 3128 GLU 136 H 0.0046 0.0062 -0.0045 3129 GLU 136 HA 0.0061 0.0070 -0.0046 3130 GLU 136 HB3 0.0056 0.0049 -0.0038 3131 GLU 136 HB2 0.0062 0.0053 -0.0038 3132 GLU 136 HG3 0.0076 0.0061 -0.0039 3133 GLU 136 HG2 0.0070 0.0056 -0.0038 3134 LYS 137 N 0.0049 0.0067 -0.0047 3135 LYS 137 CA 0.0042 0.0066 -0.0048 3136 LYS 137 C 0.0045 0.0058 -0.0044 3137 LYS 137 O 0.0054 0.0059 -0.0042 3138 LYS 137 CB 0.0041 0.0075 -0.0052 3139 LYS 137 CG 0.0031 0.0075 -0.0053 3140 LYS 137 CD 0.0032 0.0080 -0.0055 3141 LYS 137 CE 0.0033 0.0091 -0.0060 3142 LYS 137 NZ 0.0034 0.0095 -0.0061 3143 LYS 137 H 0.0056 0.0070 -0.0047 3144 LYS 137 HA 0.0034 0.0063 -0.0048 3145 LYS 137 HB3 0.0047 0.0076 -0.0051 3146 LYS 137 HB2 0.0040 0.0081 -0.0054 3147 LYS 137 HG3 0.0025 0.0077 -0.0056 3148 LYS 137 HG2 0.0028 0.0067 -0.0051 3149 LYS 137 HD3 0.0025 0.0078 -0.0056 3150 LYS 137 HD2 0.0038 0.0077 -0.0053 3151 LYS 137 HE3 0.0040 0.0093 -0.0060 3152 LYS 137 HE2 0.0026 0.0093 -0.0062 3153 LYS 137 HZ1 0.0027 0.0092 -0.0061 3154 LYS 137 HZ2 0.0034 0.0102 -0.0064 3155 LYS 137 HZ3 0.0040 0.0092 -0.0059 3156 ILE 138 N 0.0039 0.0043 -0.0044 3157 ILE 138 CA 0.0039 0.0033 -0.0035 3158 ILE 138 C 0.0027 0.0027 -0.0039 3159 ILE 138 O 0.0020 0.0030 -0.0047 3160 ILE 138 CB 0.0040 0.0026 -0.0028 3161 ILE 138 CG1 0.0032 0.0024 -0.0033 3162 ILE 138 CG2 0.0052 0.0031 -0.0023 3163 ILE 138 CD1 0.0032 0.0016 -0.0025 3164 ILE 138 H 0.0033 0.0043 -0.0049 3165 ILE 138 HA 0.0044 0.0034 -0.0032 3166 ILE 138 HB 0.0039 0.0019 -0.0023 3167 ILE 138 HG13 0.0024 0.0021 -0.0037 3168 ILE 138 HG12 0.0033 0.0031 -0.0038 3169 ILE 138 HG21 0.0054 0.0026 -0.0018 3170 ILE 138 HG22 0.0057 0.0032 -0.0020 3171 ILE 138 HG23 0.0054 0.0039 -0.0028 3172 ILE 138 HD11 0.0026 0.0013 -0.0029 3173 ILE 138 HD12 0.0032 0.0009 -0.0020 3174 ILE 138 HD13 0.0040 0.0019 -0.0022 3175 LEU 139 N 0.0026 0.0019 -0.0033 3176 LEU 139 CA 0.0016 0.0012 -0.0034 3177 LEU 139 C 0.0013 0.0001 -0.0028 3178 LEU 139 O 0.0019 -0.0002 -0.0020 3179 LEU 139 CB 0.0019 0.0011 -0.0031 3180 LEU 139 CG 0.0010 0.0006 -0.0035 3181 LEU 139 CD1 0.0003 0.0013 -0.0046 3182 LEU 139 CD2 0.0014 0.0004 -0.0030 3183 LEU 139 H 0.0032 0.0016 -0.0026 3184 LEU 139 HA 0.0010 0.0015 -0.0042 3185 LEU 139 HB3 0.0024 0.0006 -0.0023 3186 LEU 139 HB2 0.0025 0.0018 -0.0034 3187 LEU 139 HG 0.0004 -0.0002 -0.0032 3188 LEU 139 HD11 0.0001 0.0013 -0.0048 3189 LEU 139 HD12 -0.0004 0.0010 -0.0049 3190 LEU 139 HD13 0.0008 0.0020 -0.0049 3191 LEU 139 HD21 0.0007 0.0001 -0.0032 3192 LEU 139 HD22 0.0020 0.0011 -0.0031 3193 LEU 139 HD23 0.0017 -0.0002 -0.0022 3194 VAL 140 N -0.0019 -0.0022 -0.0034 3195 VAL 140 CA -0.0020 -0.0022 -0.0026 3196 VAL 140 C -0.0030 -0.0027 -0.0028 3197 VAL 140 O -0.0033 -0.0030 -0.0037 3198 VAL 140 CB -0.0012 -0.0018 -0.0028 3199 VAL 140 CG1 -0.0003 -0.0013 -0.0024 3200 VAL 140 CG2 -0.0011 -0.0019 -0.0039 3201 VAL 140 H -0.0020 -0.0024 -0.0042 3202 VAL 140 HA -0.0020 -0.0021 -0.0018 3203 VAL 140 HB -0.0014 -0.0019 -0.0022 3204 VAL 140 HG11 0.0003 -0.0010 -0.0024 3205 VAL 140 HG12 -0.0003 -0.0012 -0.0016 3206 VAL 140 HG13 0.0000 -0.0012 -0.0029 3207 VAL 140 HG21 -0.0005 -0.0016 -0.0040 3208 VAL 140 HG22 -0.0010 -0.0019 -0.0045 3209 VAL 140 HG23 -0.0017 -0.0022 -0.0041 3210 SER 141 N -0.0035 -0.0029 -0.0019 3211 SER 141 CA -0.0044 -0.0033 -0.0018 3212 SER 141 C -0.0042 -0.0032 -0.0020 3213 SER 141 O -0.0039 -0.0030 -0.0013 3214 SER 141 CB -0.0049 -0.0035 -0.0008 3215 SER 141 OG -0.0051 -0.0035 -0.0006 3216 SER 141 H -0.0032 -0.0026 -0.0011 3217 SER 141 HA -0.0048 -0.0036 -0.0025 3218 SER 141 HB3 -0.0056 -0.0038 -0.0007 3219 SER 141 HB2 -0.0045 -0.0032 -0.0001 3220 SER 141 HG -0.0045 -0.0032 -0.0004 3221 VAL 142 N -0.0028 -0.0036 -0.0017 3222 VAL 142 CA -0.0022 -0.0034 -0.0021 3223 VAL 142 C -0.0023 -0.0035 -0.0021 3224 VAL 142 O -0.0018 -0.0034 -0.0024 3225 VAL 142 CB -0.0018 -0.0039 -0.0027 3226 VAL 142 CG1 -0.0015 -0.0037 -0.0028 3227 VAL 142 CG2 -0.0022 -0.0047 -0.0030 3228 VAL 142 H -0.0031 -0.0041 -0.0019 3229 VAL 142 HA -0.0018 -0.0029 -0.0019 3230 VAL 142 HB -0.0014 -0.0038 -0.0030 3231 VAL 142 HG11 -0.0012 -0.0040 -0.0033 3232 VAL 142 HG12 -0.0012 -0.0031 -0.0026 3233 VAL 142 HG13 -0.0019 -0.0038 -0.0026 3234 VAL 142 HG21 -0.0020 -0.0050 -0.0035 3235 VAL 142 HG22 -0.0027 -0.0048 -0.0027 3236 VAL 142 HG23 -0.0024 -0.0049 -0.0030 3237 GLY 143 N -0.0029 -0.0038 -0.0018 3238 GLY 143 CA -0.0031 -0.0040 -0.0018 3239 GLY 143 C -0.0038 -0.0045 -0.0016 3240 GLY 143 O -0.0041 -0.0047 -0.0015 3241 GLY 143 H -0.0033 -0.0040 -0.0016 3242 GLY 143 HA3 -0.0028 -0.0042 -0.0022 3243 GLY 143 HA2 -0.0031 -0.0035 -0.0014 3244 CYS 144 N -0.0024 -0.0040 -0.0006 3245 CYS 144 CA -0.0025 -0.0040 -0.0006 3246 CYS 144 C -0.0025 -0.0040 -0.0006 3247 CYS 144 O -0.0024 -0.0040 -0.0006 3248 CYS 144 CB -0.0026 -0.0038 -0.0006 3249 CYS 144 SG -0.0026 -0.0038 -0.0005 3250 CYS 144 H -0.0023 -0.0039 -0.0005 3251 CYS 144 HA -0.0026 -0.0041 -0.0007 3252 CYS 144 HB3 -0.0027 -0.0038 -0.0006 3253 CYS 144 HB2 -0.0026 -0.0038 -0.0005 3254 THR 145 N -0.0026 -0.0041 -0.0007 3255 THR 145 CA -0.0026 -0.0041 -0.0007 3256 THR 145 C -0.0027 -0.0040 -0.0007 3257 THR 145 O -0.0029 -0.0040 -0.0007 3258 THR 145 CB -0.0025 -0.0042 -0.0008 3259 THR 145 OG1 -0.0025 -0.0043 -0.0008 3260 THR 145 CG2 -0.0026 -0.0043 -0.0009 3261 THR 145 H -0.0027 -0.0041 -0.0007 3262 THR 145 HA -0.0025 -0.0040 -0.0006 3263 THR 145 HB -0.0024 -0.0043 -0.0007 3264 THR 145 HG1 -0.0024 -0.0043 -0.0007 3265 THR 145 HG21 -0.0026 -0.0044 -0.0009 3266 THR 145 HG22 -0.0027 -0.0043 -0.0009 3267 THR 145 HG23 -0.0027 -0.0043 -0.0009 3268 CYS 146 N -0.0024 -0.0019 0.0001 3269 CYS 146 CA -0.0020 -0.0019 0.0000 3270 CYS 146 C -0.0019 -0.0016 0.0003 3271 CYS 146 O -0.0020 -0.0014 0.0004 3272 CYS 146 CB -0.0020 -0.0020 -0.0001 3273 CYS 146 SG -0.0016 -0.0020 -0.0001 3274 CYS 146 H -0.0026 -0.0019 0.0001 3275 CYS 146 HA -0.0019 -0.0020 -0.0001 3276 CYS 146 HB3 -0.0021 -0.0019 0.0001 3277 CYS 146 HB2 -0.0021 -0.0022 -0.0002 3278 VAL 147 N -0.0016 -0.0015 0.0003 3279 VAL 147 CA -0.0014 -0.0012 0.0005 3280 VAL 147 C -0.0011 -0.0012 0.0004 3281 VAL 147 O -0.0009 -0.0014 0.0002 3282 VAL 147 CB -0.0014 -0.0011 0.0006 3283 VAL 147 CG1 -0.0018 -0.0011 0.0007 3284 VAL 147 CG2 -0.0012 -0.0013 0.0004 3285 VAL 147 H -0.0015 -0.0016 0.0001 3286 VAL 147 HA -0.0016 -0.0011 0.0006 3287 VAL 147 HB -0.0013 -0.0009 0.0007 3288 VAL 147 HG11 -0.0018 -0.0010 0.0007 3289 VAL 147 HG12 -0.0019 -0.0009 0.0008 3290 VAL 147 HG13 -0.0019 -0.0013 0.0005 3291 VAL 147 HG21 -0.0013 -0.0012 0.0005 3292 VAL 147 HG22 -0.0013 -0.0015 0.0002 3293 VAL 147 HG23 -0.0009 -0.0012 0.0004 3294 THR 148 N 0.0016 0.0039 -0.0014 3295 THR 148 CA 0.0014 0.0029 -0.0005 3296 THR 148 C 0.0022 0.0037 0.0007 3297 THR 148 O 0.0027 0.0049 0.0003 3298 THR 148 CB 0.0009 0.0024 -0.0015 3299 THR 148 OG1 0.0012 0.0036 -0.0023 3300 THR 148 CG2 0.0001 0.0016 -0.0027 3301 THR 148 H 0.0015 0.0043 -0.0024 3302 THR 148 HA 0.0012 0.0020 -0.0000 3303 THR 148 HB 0.0008 0.0018 -0.0008 3304 THR 148 HG1 0.0016 0.0041 -0.0016 3305 THR 148 HG21 -0.0003 0.0012 -0.0034 3306 THR 148 HG22 -0.0002 0.0006 -0.0021 3307 THR 148 HG23 0.0001 0.0022 -0.0034 3308 PRO 149 N 0.0024 0.0030 0.0021 3309 PRO 149 CA 0.0031 0.0037 0.0033 3310 PRO 149 C 0.0031 0.0039 0.0030 3311 PRO 149 O 0.0025 0.0032 0.0024 3312 PRO 149 CB 0.0031 0.0027 0.0047 3313 PRO 149 CG 0.0022 0.0013 0.0041 3314 PRO 149 CD 0.0019 0.0016 0.0026 3315 PRO 149 HA 0.0036 0.0047 0.0034 3316 PRO 149 HB3 0.0034 0.0030 0.0052 3317 PRO 149 HB2 0.0033 0.0026 0.0055 3318 PRO 149 HG3 0.0021 0.0005 0.0049 3319 PRO 149 HG2 0.0019 0.0008 0.0040 3320 PRO 149 HD2 0.0013 0.0009 0.0019 3321 PRO 149 HD3 0.0020 0.0017 0.0028 3322 VAL 151 N -0.0210 -0.0015 0.0126 3323 VAL 151 CA -0.0162 -0.0003 0.0094 3324 VAL 151 C -0.0133 0.0042 0.0087 3325 VAL 151 O -0.0151 0.0081 0.0112 3326 VAL 151 CB -0.0162 0.0019 0.0101 3327 VAL 151 CG1 -0.0113 0.0037 0.0070 3328 VAL 151 CG2 -0.0192 -0.0024 0.0110 3329 VAL 151 H -0.0229 0.0015 0.0150 3330 VAL 151 HA -0.0146 -0.0041 0.0070 3331 VAL 151 HB -0.0178 0.0056 0.0125 3332 VAL 151 HG11 -0.0115 0.0049 0.0075 3333 VAL 151 HG12 -0.0092 0.0073 0.0066 3334 VAL 151 HG13 -0.0093 0.0003 0.0044 3335 VAL 151 HG21 -0.0193 -0.0008 0.0115 3336 VAL 151 HG22 -0.0179 -0.0063 0.0088 3337 VAL 151 HG23 -0.0229 -0.0034 0.0135 3338 HIS 152 N -0.0089 0.0036 0.0051 3339 HIS 152 CA -0.0055 0.0076 0.0038 3340 HIS 152 C -0.0006 0.0063 -0.0003 3341 HIS 152 O -0.0002 0.0015 -0.0021 3342 HIS 152 CB -0.0066 0.0076 0.0046 3343 HIS 152 CG -0.0070 0.0020 0.0032 3344 HIS 152 ND1 -0.0108 -0.0023 0.0047 3345 HIS 152 CD2 -0.0042 -0.0000 0.0005 3346 HIS 152 CE1 -0.0102 -0.0066 0.0029 3347 HIS 152 NE2 -0.0062 -0.0055 0.0003 3348 HIS 152 H -0.0076 0.0003 0.0031 3349 HIS 152 HA -0.0056 0.0118 0.0052 3350 HIS 152 HB3 -0.0098 0.0092 0.0076 3351 HIS 152 HB2 -0.0038 0.0105 0.0035 3352 HIS 152 HD1 -0.0135 -0.0023 0.0068 3353 HIS 152 HD2 -0.0010 0.0021 -0.0013 3354 HIS 152 HE1 -0.0126 -0.0105 0.0034 3355 HIS 153 N 0.0001 0.0118 -0.0072 3356 HIS 153 CA 0.0053 0.0102 -0.0027 3357 HIS 153 C 0.0278 0.0142 -0.0169 3358 HIS 153 O 0.0292 0.0206 -0.0364 3359 HIS 153 CB -0.0161 0.0134 -0.0105 3360 HIS 153 CG -0.0177 0.0104 -0.0013 3361 HIS 153 ND1 -0.0004 0.0110 -0.0048 3362 HIS 153 CD2 -0.0353 0.0067 0.0115 3363 HIS 153 CE1 -0.0077 0.0077 0.0059 3364 HIS 153 NE2 -0.0288 0.0049 0.0161 3365 HIS 153 H -0.0028 0.0174 -0.0238 3366 HIS 153 HA 0.0085 0.0041 0.0153 3367 HIS 153 HB3 -0.0167 0.0195 -0.0290 3368 HIS 153 HB2 -0.0326 0.0122 -0.0054 3369 HIS 153 HD1 0.0154 0.0135 -0.0136 3370 HIS 153 HD2 -0.0521 0.0052 0.0175 3371 HIS 153 HE1 0.0025 0.0074 0.0060 3372 ALA 155 N 0.0076 0.0151 0.0018 3373 ALA 155 CA -0.0048 0.0067 0.0122 3374 ALA 155 C -0.0219 0.0188 0.0154 3375 ALA 155 O -0.0262 0.0305 0.0121 3376 ALA 155 CB -0.0073 -0.0077 0.0201 3377 ALA 155 OXT -0.0300 0.0143 0.0216 3378 ALA 155 H 0.0058 0.0174 0.0017 3379 ALA 155 HA -0.0004 0.0010 0.0125 3380 ALA 155 HB1 -0.0161 -0.0147 0.0279 3381 ALA 155 HB2 0.0041 -0.0166 0.0184 3382 ALA 155 HB3 -0.0121 -0.0029 0.0204 3383 ILE 150 N -0.0136 -0.0062 0.0121 3384 ILE 150 CA -0.0162 -0.0121 0.0169 3385 ILE 150 C -0.0200 -0.0115 0.0179 3386 ILE 150 O -0.0253 -0.0073 0.0171 3387 ILE 150 CB -0.0215 -0.0132 0.0196 3388 ILE 150 CG1 -0.0175 -0.0147 0.0192 3389 ILE 150 CG2 -0.0258 -0.0184 0.0246 3390 ILE 150 CD1 -0.0224 -0.0149 0.0210 3391 ILE 150 H -0.0173 -0.0024 0.0110 3392 ILE 150 HA -0.0118 -0.0161 0.0180 3393 ILE 150 HB -0.0254 -0.0088 0.0181 3394 ILE 150 HG13 -0.0141 -0.0113 0.0157 3395 ILE 150 HG12 -0.0139 -0.0193 0.0209 3396 ILE 150 HG21 -0.0291 -0.0173 0.0251 3397 ILE 150 HG22 -0.0223 -0.0230 0.0264 3398 ILE 150 HG23 -0.0295 -0.0191 0.0264 3399 ILE 150 HD11 -0.0194 -0.0153 0.0202 3400 ILE 150 HD12 -0.0265 -0.0106 0.0197 3401 ILE 150 HD13 -0.0250 -0.0190 0.0247 3402 VAL 154 N 0.0331 0.0215 -0.0068 3403 VAL 154 CA 0.0245 0.0227 -0.0005 3404 VAL 154 C 0.0420 0.0278 0.0019 3405 VAL 154 O 0.0590 0.0280 -0.0054 3406 VAL 154 CB 0.0104 0.0125 -0.0147 3407 VAL 154 CG1 0.0009 0.0125 -0.0104 3408 VAL 154 CG2 -0.0070 0.0077 -0.0166 3409 VAL 154 H 0.0388 0.0162 -0.0202 3410 VAL 154 HA 0.0158 0.0274 0.0129 3411 VAL 154 HB 0.0190 0.0078 -0.0281 3412 VAL 154 HG11 0.0118 0.0141 -0.0121 3413 VAL 154 HG12 -0.0066 0.0178 0.0036 3414 VAL 154 HG13 -0.0104 0.0053 -0.0199 3415 VAL 154 HG21 -0.0017 0.0071 -0.0203 3416 VAL 154 HG22 -0.0163 0.0003 -0.0274 3417 VAL 154 HG23 -0.0167 0.0119 -0.0037 3418 ASN 40 N -0.0147 0.0082 -0.0119 3419 ASN 40 CA -0.0064 0.0086 -0.0075 3420 ASN 40 C -0.0054 0.0022 0.0003 3421 ASN 40 O -0.0096 -0.0027 0.0033 3422 ASN 40 CB -0.0052 0.0102 -0.0086 3423 ASN 40 CG -0.0034 0.0172 -0.0153 3424 ASN 40 OD1 -0.0007 0.0216 -0.0186 3425 ASN 40 ND2 -0.0047 0.0184 -0.0174 3426 ASN 40 H1 -0.0154 0.0124 -0.0170 3427 ASN 40 H2 -0.0153 0.0075 -0.0116 3428 ASN 40 HA -0.0016 0.0124 -0.0089 3429 ASN 40 HB2 -0.0107 0.0072 -0.0084 3430 ASN 40 HB3 -0.0001 0.0091 -0.0043 3431 ASN 40 HD22 -0.0035 0.0230 -0.0219 3432 ASN 40 HD21 -0.0071 0.0149 -0.0149 3433 ASP 65 N 0.0177 0.0048 0.0068 3434 ASP 65 CA 0.0134 0.0074 0.0075 3435 ASP 65 C 0.0093 0.0048 0.0057 3436 ASP 65 O 0.0060 0.0067 0.0062 3437 ASP 65 CB 0.0146 0.0110 0.0092 3438 ASP 65 CG 0.0180 0.0144 0.0113 3439 ASP 65 OD1 0.0181 0.0153 0.0117 3440 ASP 65 OD2 0.0198 0.0165 0.0125 3441 ASP 65 H 0.0209 0.0061 0.0078 3442 ASP 65 HA 0.0120 0.0090 0.0080 3443 ASP 65 HB2 0.0163 0.0094 0.0087 3444 ASP 65 HB3 0.0114 0.0128 0.0097