1 LYS 1 N 0.0059 -0.0116 -0.0085 2 LYS 1 CA 0.0020 -0.0093 -0.0086 3 LYS 1 C 0.0015 -0.0066 -0.0125 4 LYS 1 O 0.0042 -0.0063 -0.0152 5 LYS 1 CB 0.0017 -0.0096 -0.0080 6 LYS 1 CG -0.0015 -0.0073 -0.0088 7 LYS 1 CD -0.0012 -0.0080 -0.0081 8 LYS 1 CE -0.0044 -0.0056 -0.0090 9 LYS 1 NZ -0.0045 -0.0064 -0.0078 10 LYS 1 H1 0.0062 -0.0134 -0.0059 11 LYS 1 H2 0.0063 -0.0114 -0.0090 12 LYS 1 H3 0.0079 -0.0114 -0.0104 13 LYS 1 HA -0.0003 -0.0095 -0.0065 14 LYS 1 HB3 0.0044 -0.0101 -0.0095 15 LYS 1 HB2 0.0018 -0.0115 -0.0052 16 LYS 1 HG3 -0.0043 -0.0069 -0.0072 17 LYS 1 HG2 -0.0015 -0.0055 -0.0117 18 LYS 1 HD3 0.0016 -0.0084 -0.0097 19 LYS 1 HD2 -0.0013 -0.0098 -0.0052 20 LYS 1 HE3 -0.0072 -0.0049 -0.0078 21 LYS 1 HE2 -0.0040 -0.0039 -0.0120 22 LYS 1 HZ1 -0.0068 -0.0048 -0.0083 23 LYS 1 HZ2 -0.0047 -0.0081 -0.0050 24 LYS 1 HZ3 -0.0020 -0.0068 -0.0091 25 VAL 2 N -0.0046 -0.0039 -0.0149 26 VAL 2 CA -0.0037 -0.0008 -0.0151 27 VAL 2 C -0.0071 0.0014 -0.0152 28 VAL 2 O -0.0095 0.0005 -0.0151 29 VAL 2 CB -0.0022 -0.0013 -0.0151 30 VAL 2 CG1 -0.0012 0.0022 -0.0153 31 VAL 2 CG2 0.0011 -0.0035 -0.0150 32 VAL 2 H -0.0058 -0.0058 -0.0147 33 VAL 2 HA -0.0019 0.0007 -0.0152 34 VAL 2 HB -0.0040 -0.0026 -0.0149 35 VAL 2 HG11 -0.0001 0.0018 -0.0153 36 VAL 2 HG12 -0.0035 0.0038 -0.0154 37 VAL 2 HG13 0.0006 0.0035 -0.0154 38 VAL 2 HG21 0.0023 -0.0039 -0.0150 39 VAL 2 HG22 0.0030 -0.0022 -0.0151 40 VAL 2 HG23 0.0005 -0.0060 -0.0148 41 PHE 3 N -0.0039 0.0057 -0.0073 42 PHE 3 CA -0.0065 0.0076 -0.0069 43 PHE 3 C -0.0095 0.0116 -0.0085 44 PHE 3 O -0.0085 0.0134 -0.0115 45 PHE 3 CB -0.0042 0.0076 -0.0092 46 PHE 3 CG -0.0022 0.0041 -0.0073 47 PHE 3 CD1 0.0013 0.0010 -0.0073 48 PHE 3 CD2 -0.0037 0.0038 -0.0054 49 PHE 3 CE1 0.0031 -0.0022 -0.0055 50 PHE 3 CE2 -0.0019 0.0006 -0.0036 51 PHE 3 CZ 0.0016 -0.0024 -0.0037 52 PHE 3 H -0.0011 0.0050 -0.0094 53 PHE 3 HA -0.0081 0.0063 -0.0038 54 PHE 3 HB3 -0.0061 0.0099 -0.0099 55 PHE 3 HB2 -0.0020 0.0082 -0.0122 56 PHE 3 HD1 0.0026 0.0011 -0.0087 57 PHE 3 HD2 -0.0064 0.0061 -0.0054 58 PHE 3 HE1 0.0058 -0.0046 -0.0054 59 PHE 3 HE2 -0.0033 0.0005 -0.0021 60 PHE 3 HZ 0.0032 -0.0049 -0.0025 61 GLU 4 N -0.0095 0.0072 -0.0126 62 GLU 4 CA -0.0084 0.0109 -0.0110 63 GLU 4 C -0.0096 0.0192 -0.0083 64 GLU 4 O -0.0138 0.0212 -0.0086 65 GLU 4 CB -0.0139 0.0087 -0.0131 66 GLU 4 CG -0.0127 0.0008 -0.0157 67 GLU 4 CD -0.0186 -0.0020 -0.0181 68 GLU 4 OE1 -0.0191 0.0002 -0.0174 69 GLU 4 OE2 -0.0224 -0.0071 -0.0208 70 GLU 4 H -0.0145 0.0053 -0.0145 71 GLU 4 HA -0.0026 0.0096 -0.0100 72 GLU 4 HB3 -0.0132 0.0120 -0.0118 73 GLU 4 HB2 -0.0196 0.0099 -0.0141 74 GLU 4 HG3 -0.0123 -0.0024 -0.0167 75 GLU 4 HG2 -0.0072 -0.0003 -0.0147 76 ARG 5 N 0.0007 0.0182 -0.0020 77 ARG 5 CA -0.0014 0.0154 0.0021 78 ARG 5 C -0.0012 0.0144 0.0036 79 ARG 5 O -0.0050 0.0136 0.0047 80 ARG 5 CB 0.0013 0.0135 0.0050 81 ARG 5 CG -0.0003 0.0106 0.0093 82 ARG 5 CD 0.0025 0.0089 0.0118 83 ARG 5 NE 0.0076 0.0085 0.0124 84 ARG 5 CZ 0.0094 0.0065 0.0154 85 ARG 5 NH1 0.0066 0.0046 0.0182 86 ARG 5 NH2 0.0143 0.0063 0.0157 87 ARG 5 H 0.0032 0.0184 -0.0024 88 ARG 5 HA -0.0052 0.0155 0.0019 89 ARG 5 HB3 0.0052 0.0136 0.0048 90 ARG 5 HB2 0.0008 0.0142 0.0038 91 ARG 5 HG3 -0.0042 0.0104 0.0095 92 ARG 5 HG2 0.0005 0.0097 0.0106 93 ARG 5 HD3 0.0021 0.0099 0.0103 94 ARG 5 HD2 0.0007 0.0069 0.0148 95 ARG 5 HE 0.0098 0.0100 0.0102 96 ARG 5 HH12 0.0081 0.0031 0.0205 97 ARG 5 HH11 0.0029 0.0048 0.0180 98 ARG 5 HH22 0.0157 0.0047 0.0180 99 ARG 5 HH21 0.0165 0.0077 0.0136 100 CYS 6 N -0.0068 -0.0005 0.0002 101 CYS 6 CA -0.0067 -0.0005 -0.0000 102 CYS 6 C -0.0081 0.0021 -0.0027 103 CYS 6 O -0.0094 0.0026 -0.0024 104 CYS 6 CB -0.0030 -0.0023 -0.0004 105 CYS 6 SG -0.0015 -0.0055 0.0032 106 CYS 6 H -0.0047 -0.0012 -0.0007 107 CYS 6 HA -0.0083 -0.0011 0.0024 108 CYS 6 HB3 -0.0028 -0.0021 -0.0010 109 CYS 6 HB2 -0.0013 -0.0019 -0.0026 110 GLU 7 N -0.0148 0.0071 -0.0030 111 GLU 7 CA -0.0157 0.0064 -0.0035 112 GLU 7 C -0.0163 0.0062 -0.0035 113 GLU 7 O -0.0172 0.0059 -0.0034 114 GLU 7 CB -0.0152 0.0060 -0.0046 115 GLU 7 CG -0.0161 0.0053 -0.0053 116 GLU 7 CD -0.0156 0.0048 -0.0064 117 GLU 7 OE1 -0.0146 0.0050 -0.0067 118 GLU 7 OE2 -0.0162 0.0043 -0.0069 119 GLU 7 H -0.0141 0.0072 -0.0034 120 GLU 7 HA -0.0163 0.0064 -0.0032 121 GLU 7 HB3 -0.0147 0.0060 -0.0050 122 GLU 7 HB2 -0.0148 0.0062 -0.0046 123 GLU 7 HG3 -0.0166 0.0052 -0.0050 124 GLU 7 HG2 -0.0166 0.0051 -0.0052 125 LEU 8 N -0.0097 0.0091 0.0031 126 LEU 8 CA -0.0081 0.0090 0.0026 127 LEU 8 C -0.0084 0.0107 0.0022 128 LEU 8 O -0.0081 0.0103 0.0022 129 LEU 8 CB -0.0061 0.0092 0.0019 130 LEU 8 CG -0.0043 0.0091 0.0013 131 LEU 8 CD1 -0.0040 0.0071 0.0018 132 LEU 8 CD2 -0.0024 0.0094 0.0005 133 LEU 8 H -0.0095 0.0095 0.0030 134 LEU 8 HA -0.0080 0.0076 0.0030 135 LEU 8 HB3 -0.0062 0.0106 0.0015 136 LEU 8 HB2 -0.0058 0.0081 0.0021 137 LEU 8 HG -0.0045 0.0103 0.0010 138 LEU 8 HD11 -0.0027 0.0071 0.0014 139 LEU 8 HD12 -0.0053 0.0070 0.0023 140 LEU 8 HD13 -0.0038 0.0059 0.0021 141 LEU 8 HD21 -0.0011 0.0093 0.0001 142 LEU 8 HD22 -0.0022 0.0082 0.0008 143 LEU 8 HD23 -0.0026 0.0109 0.0001 144 ALA 9 N -0.0065 0.0036 0.0050 145 ALA 9 CA -0.0066 0.0020 0.0065 146 ALA 9 C -0.0060 0.0024 0.0060 147 ALA 9 O -0.0073 0.0020 0.0067 148 ALA 9 CB -0.0049 0.0003 0.0077 149 ALA 9 H -0.0054 0.0034 0.0048 150 ALA 9 HA -0.0084 0.0017 0.0073 151 ALA 9 HB1 -0.0050 -0.0008 0.0089 152 ALA 9 HB2 -0.0055 0.0000 0.0082 153 ALA 9 HB3 -0.0030 0.0006 0.0070 154 ARG 10 N -0.0115 0.0002 -0.0020 155 ARG 10 CA -0.0102 0.0026 -0.0055 156 ARG 10 C -0.0098 0.0068 -0.0046 157 ARG 10 O -0.0089 0.0095 -0.0065 158 ARG 10 CB -0.0098 0.0007 -0.0084 159 ARG 10 CG -0.0100 -0.0032 -0.0104 160 ARG 10 CD -0.0094 -0.0045 -0.0135 161 ARG 10 NE -0.0100 -0.0058 -0.0119 162 ARG 10 CZ -0.0109 -0.0093 -0.0105 163 ARG 10 NH1 -0.0113 -0.0121 -0.0108 164 ARG 10 NH2 -0.0115 -0.0101 -0.0089 165 ARG 10 H -0.0120 -0.0019 -0.0015 166 ARG 10 HA -0.0099 0.0026 -0.0069 167 ARG 10 HB3 -0.0090 0.0028 -0.0105 168 ARG 10 HB2 -0.0103 0.0001 -0.0069 169 ARG 10 HG3 -0.0109 -0.0055 -0.0082 170 ARG 10 HG2 -0.0096 -0.0027 -0.0117 171 ARG 10 HD3 -0.0094 -0.0069 -0.0153 172 ARG 10 HD2 -0.0085 -0.0021 -0.0154 173 ARG 10 HE -0.0097 -0.0037 -0.0118 174 ARG 10 HH12 -0.0120 -0.0148 -0.0097 175 ARG 10 HH11 -0.0109 -0.0116 -0.0120 176 ARG 10 HH22 -0.0122 -0.0128 -0.0078 177 ARG 10 HH21 -0.0112 -0.0080 -0.0087 178 THR 11 N -0.0095 0.0073 0.0028 179 THR 11 CA -0.0082 0.0064 0.0034 180 THR 11 C -0.0063 0.0084 0.0032 181 THR 11 O -0.0064 0.0088 0.0030 182 THR 11 CB -0.0068 0.0041 0.0045 183 THR 11 OG1 -0.0087 0.0022 0.0047 184 THR 11 CG2 -0.0054 0.0030 0.0052 185 THR 11 H -0.0092 0.0065 0.0032 186 THR 11 HA -0.0097 0.0058 0.0033 187 THR 11 HB -0.0054 0.0045 0.0046 188 THR 11 HG1 -0.0091 0.0025 0.0045 189 THR 11 HG21 -0.0044 0.0014 0.0059 190 THR 11 HG22 -0.0040 0.0045 0.0050 191 THR 11 HG23 -0.0067 0.0025 0.0050 192 LEU 12 N -0.0055 0.0040 0.0094 193 LEU 12 CA -0.0048 0.0048 0.0093 194 LEU 12 C -0.0060 0.0059 0.0096 195 LEU 12 O -0.0060 0.0061 0.0097 196 LEU 12 CB -0.0032 0.0058 0.0091 197 LEU 12 CG -0.0017 0.0048 0.0087 198 LEU 12 CD1 -0.0004 0.0059 0.0085 199 LEU 12 CD2 -0.0013 0.0036 0.0085 200 LEU 12 H -0.0051 0.0042 0.0093 201 LEU 12 HA -0.0044 0.0039 0.0091 202 LEU 12 HB3 -0.0029 0.0066 0.0091 203 LEU 12 HB2 -0.0035 0.0067 0.0092 204 LEU 12 HG -0.0021 0.0041 0.0087 205 LEU 12 HD11 0.0007 0.0052 0.0082 206 LEU 12 HD12 -0.0008 0.0067 0.0086 207 LEU 12 HD13 0.0000 0.0067 0.0085 208 LEU 12 HD21 -0.0002 0.0028 0.0082 209 LEU 12 HD22 -0.0009 0.0043 0.0085 210 LEU 12 HD23 -0.0023 0.0027 0.0086 211 LYS 13 N -0.0164 0.0073 0.0093 212 LYS 13 CA -0.0094 0.0012 0.0069 213 LYS 13 C -0.0033 0.0092 0.0036 214 LYS 13 O -0.0023 0.0080 0.0033 215 LYS 13 CB -0.0024 -0.0068 0.0048 216 LYS 13 CG 0.0049 -0.0137 0.0024 217 LYS 13 CD 0.0073 -0.0251 0.0025 218 LYS 13 CE 0.0128 -0.0325 0.0009 219 LYS 13 NZ 0.0130 -0.0442 0.0020 220 LYS 13 H -0.0154 0.0064 0.0089 221 LYS 13 HA -0.0141 -0.0036 0.0094 222 LYS 13 HB3 0.0022 -0.0022 0.0024 223 LYS 13 HB2 -0.0070 -0.0123 0.0072 224 LYS 13 HG3 0.0013 -0.0146 0.0040 225 LYS 13 HG2 0.0120 -0.0094 -0.0010 226 LYS 13 HD3 0.0124 -0.0243 0.0003 227 LYS 13 HD2 0.0002 -0.0288 0.0059 228 LYS 13 HE3 0.0084 -0.0319 0.0027 229 LYS 13 HE2 0.0206 -0.0298 -0.0026 230 LYS 13 HZ1 0.0136 -0.0443 0.0017 231 LYS 13 HZ2 0.0192 -0.0484 -0.0002 232 LYS 13 HZ3 0.0065 -0.0479 0.0051 233 ARG 14 N -0.0094 0.0049 -0.0049 234 ARG 14 CA -0.0059 0.0125 -0.0093 235 ARG 14 C -0.0084 0.0204 -0.0056 236 ARG 14 O -0.0058 0.0259 -0.0088 237 ARG 14 CB -0.0044 0.0149 -0.0111 238 ARG 14 CG 0.0001 0.0095 -0.0173 239 ARG 14 CD 0.0028 0.0142 -0.0207 240 ARG 14 NE -0.0007 0.0159 -0.0159 241 ARG 14 CZ -0.0019 0.0103 -0.0146 242 ARG 14 NH1 0.0003 0.0028 -0.0178 243 ARG 14 NH2 -0.0056 0.0124 -0.0097 244 ARG 14 H -0.0104 0.0025 -0.0037 245 ARG 14 HA -0.0024 0.0111 -0.0139 246 ARG 14 HB3 -0.0033 0.0217 -0.0123 247 ARG 14 HB2 -0.0077 0.0137 -0.0068 248 ARG 14 HG3 -0.0014 0.0032 -0.0155 249 ARG 14 HG2 0.0029 0.0087 -0.0209 250 ARG 14 HD3 0.0060 0.0103 -0.0249 251 ARG 14 HD2 0.0046 0.0202 -0.0227 252 ARG 14 HE -0.0023 0.0217 -0.0136 253 ARG 14 HH12 -0.0006 -0.0014 -0.0168 254 ARG 14 HH11 0.0030 0.0013 -0.0214 255 ARG 14 HH22 -0.0066 0.0084 -0.0085 256 ARG 14 HH21 -0.0073 0.0181 -0.0071 257 LEU 15 N -0.0074 0.0120 0.0088 258 LEU 15 CA -0.0058 0.0125 0.0095 259 LEU 15 C -0.0048 0.0171 0.0111 260 LEU 15 O -0.0034 0.0179 0.0118 261 LEU 15 CB -0.0019 0.0090 0.0100 262 LEU 15 CG -0.0029 0.0043 0.0083 263 LEU 15 CD1 0.0011 0.0011 0.0090 264 LEU 15 CD2 -0.0056 0.0035 0.0072 265 LEU 15 H -0.0052 0.0111 0.0093 266 LEU 15 HA -0.0083 0.0116 0.0083 267 LEU 15 HB3 -0.0003 0.0099 0.0108 268 LEU 15 HB2 0.0004 0.0093 0.0109 269 LEU 15 HG -0.0048 0.0036 0.0074 270 LEU 15 HD11 0.0003 -0.0022 0.0078 271 LEU 15 HD12 0.0029 0.0015 0.0097 272 LEU 15 HD13 0.0031 0.0019 0.0099 273 LEU 15 HD21 -0.0062 0.0001 0.0060 274 LEU 15 HD22 -0.0038 0.0043 0.0080 275 LEU 15 HD23 -0.0086 0.0056 0.0066 276 GLY 16 N -0.0085 0.0079 0.0127 277 GLY 16 CA -0.0097 0.0079 0.0147 278 GLY 16 C -0.0093 0.0079 0.0158 279 GLY 16 O -0.0105 0.0079 0.0172 280 GLY 16 H -0.0072 0.0079 0.0128 281 GLY 16 HA3 -0.0115 0.0079 0.0144 282 GLY 16 HA2 -0.0095 0.0079 0.0159 283 MET 17 N -0.0028 0.0010 0.0152 284 MET 17 CA -0.0020 0.0017 0.0140 285 MET 17 C -0.0018 0.0030 0.0147 286 MET 17 O -0.0013 0.0034 0.0138 287 MET 17 CB -0.0012 0.0023 0.0128 288 MET 17 CG -0.0013 0.0008 0.0119 289 MET 17 SD -0.0011 -0.0003 0.0105 290 MET 17 CE -0.0000 0.0003 0.0087 291 MET 17 H -0.0028 0.0014 0.0154 292 MET 17 HA -0.0021 0.0007 0.0134 293 MET 17 HB3 -0.0006 0.0029 0.0120 294 MET 17 HB2 -0.0012 0.0031 0.0134 295 MET 17 HG3 -0.0008 0.0013 0.0112 296 MET 17 HG2 -0.0020 0.0001 0.0127 297 MET 17 HE1 0.0002 -0.0003 0.0077 298 MET 17 HE2 -0.0000 0.0000 0.0085 299 MET 17 HE3 0.0005 0.0016 0.0088 300 ASP 18 N -0.0110 -0.0090 0.0179 301 ASP 18 CA -0.0101 -0.0115 0.0195 302 ASP 18 C -0.0116 -0.0116 0.0211 303 ASP 18 O -0.0114 -0.0109 0.0202 304 ASP 18 CB -0.0074 -0.0128 0.0183 305 ASP 18 CG -0.0063 -0.0154 0.0199 306 ASP 18 OD1 -0.0073 -0.0164 0.0220 307 ASP 18 OD2 -0.0045 -0.0165 0.0192 308 ASP 18 H -0.0100 -0.0083 0.0161 309 ASP 18 HA -0.0104 -0.0123 0.0207 310 ASP 18 HB3 -0.0071 -0.0121 0.0172 311 ASP 18 HB2 -0.0065 -0.0124 0.0170 312 GLY 19 N -0.0076 -0.0108 0.0139 313 GLY 19 CA -0.0070 -0.0061 0.0143 314 GLY 19 C -0.0050 -0.0089 0.0138 315 GLY 19 O -0.0049 -0.0053 0.0142 316 GLY 19 H -0.0036 -0.0114 0.0134 317 GLY 19 HA3 -0.0116 -0.0035 0.0151 318 GLY 19 HA2 -0.0034 -0.0023 0.0144 319 TYR 20 N 0.0040 -0.0097 0.0020 320 TYR 20 CA 0.0056 -0.0086 0.0030 321 TYR 20 C 0.0034 -0.0101 0.0016 322 TYR 20 O -0.0003 -0.0100 0.0018 323 TYR 20 CB 0.0049 -0.0054 0.0063 324 TYR 20 CG 0.0072 -0.0043 0.0074 325 TYR 20 CD1 0.0111 -0.0036 0.0080 326 TYR 20 CD2 0.0053 -0.0039 0.0078 327 TYR 20 CE1 0.0132 -0.0025 0.0091 328 TYR 20 CE2 0.0073 -0.0029 0.0087 329 TYR 20 CZ 0.0113 -0.0022 0.0093 330 TYR 20 OH 0.0133 -0.0012 0.0103 331 TYR 20 H 0.0025 -0.0084 0.0033 332 TYR 20 HA 0.0087 -0.0091 0.0025 333 TYR 20 HB3 0.0018 -0.0050 0.0067 334 TYR 20 HB2 0.0061 -0.0044 0.0072 335 TYR 20 HD1 0.0127 -0.0038 0.0077 336 TYR 20 HD2 0.0021 -0.0044 0.0074 337 TYR 20 HE1 0.0163 -0.0019 0.0096 338 TYR 20 HE2 0.0058 -0.0027 0.0090 339 TYR 20 HH 0.0160 -0.0007 0.0108 340 ARG 21 N 0.0122 -0.0122 0.0013 341 ARG 21 CA 0.0095 -0.0155 -0.0038 342 ARG 21 C 0.0043 -0.0166 -0.0079 343 ARG 21 O -0.0004 -0.0172 -0.0113 344 ARG 21 CB 0.0072 -0.0134 -0.0029 345 ARG 21 CG 0.0128 -0.0138 -0.0001 346 ARG 21 CD 0.0144 -0.0185 -0.0042 347 ARG 21 NE 0.0086 -0.0178 -0.0067 348 ARG 21 CZ 0.0071 -0.0216 -0.0117 349 ARG 21 NH1 0.0116 -0.0264 -0.0140 350 ARG 21 NH2 0.0010 -0.0208 -0.0143 351 ARG 21 H 0.0170 -0.0134 0.0028 352 ARG 21 HA 0.0134 -0.0192 -0.0054 353 ARG 21 HB3 0.0043 -0.0154 -0.0067 354 ARG 21 HB2 0.0040 -0.0093 -0.0005 355 ARG 21 HG3 0.0115 -0.0103 0.0028 356 ARG 21 HG2 0.0171 -0.0141 0.0021 357 ARG 21 HD3 0.0186 -0.0190 -0.0021 358 ARG 21 HD2 0.0152 -0.0220 -0.0073 359 ARG 21 HE 0.0060 -0.0141 -0.0044 360 ARG 21 HH12 0.0104 -0.0294 -0.0179 361 ARG 21 HH11 0.0162 -0.0270 -0.0120 362 ARG 21 HH22 -0.0003 -0.0237 -0.0181 363 ARG 21 HH21 -0.0024 -0.0171 -0.0125 364 GLY 22 N 0.0064 0.0223 0.0235 365 GLY 22 CA 0.0050 0.0358 0.0195 366 GLY 22 C 0.0065 0.0068 0.0274 367 GLY 22 O 0.0082 0.0187 0.0252 368 GLY 22 H -0.0175 0.0171 0.0144 369 GLY 22 HA3 0.0267 0.0592 0.0231 370 GLY 22 HA2 -0.0193 0.0513 0.0052 371 ILE 23 N 0.0060 -0.0121 0.0029 372 ILE 23 CA 0.0055 -0.0101 0.0024 373 ILE 23 C 0.0065 -0.0086 0.0038 374 ILE 23 O 0.0073 -0.0082 0.0049 375 ILE 23 CB 0.0047 -0.0093 0.0016 376 ILE 23 CG1 0.0037 -0.0107 0.0002 377 ILE 23 CG2 0.0041 -0.0071 0.0010 378 ILE 23 CD1 0.0032 -0.0103 -0.0004 379 ILE 23 H 0.0064 -0.0124 0.0034 380 ILE 23 HA 0.0048 -0.0101 0.0016 381 ILE 23 HB 0.0054 -0.0092 0.0024 382 ILE 23 HG13 0.0041 -0.0123 0.0006 383 ILE 23 HG12 0.0029 -0.0106 -0.0008 384 ILE 23 HG21 0.0036 -0.0066 0.0004 385 ILE 23 HG22 0.0049 -0.0061 0.0020 386 ILE 23 HG23 0.0034 -0.0072 0.0002 387 ILE 23 HD11 0.0025 -0.0114 -0.0014 388 ILE 23 HD12 0.0040 -0.0105 0.0006 389 ILE 23 HD13 0.0028 -0.0088 -0.0008 390 SER 24 N 0.0000 -0.0158 0.0077 391 SER 24 CA 0.0025 -0.0139 0.0091 392 SER 24 C 0.0029 -0.0108 0.0078 393 SER 24 O 0.0012 -0.0096 0.0056 394 SER 24 CB 0.0034 -0.0137 0.0098 395 SER 24 OG 0.0022 -0.0121 0.0078 396 SER 24 H -0.0009 -0.0164 0.0071 397 SER 24 HA 0.0036 -0.0149 0.0107 398 SER 24 HB3 0.0030 -0.0159 0.0106 399 SER 24 HB2 0.0053 -0.0125 0.0111 400 SER 24 HG 0.0029 -0.0115 0.0083 401 LEU 25 N -0.0041 -0.0073 0.0121 402 LEU 25 CA -0.0037 -0.0069 0.0113 403 LEU 25 C -0.0028 -0.0059 0.0104 404 LEU 25 O -0.0027 -0.0059 0.0092 405 LEU 25 CB -0.0035 -0.0065 0.0123 406 LEU 25 CG -0.0032 -0.0062 0.0116 407 LEU 25 CD1 -0.0038 -0.0071 0.0106 408 LEU 25 CD2 -0.0030 -0.0059 0.0128 409 LEU 25 H -0.0042 -0.0073 0.0132 410 LEU 25 HA -0.0042 -0.0075 0.0106 411 LEU 25 HB3 -0.0030 -0.0059 0.0130 412 LEU 25 HB2 -0.0040 -0.0072 0.0130 413 LEU 25 HG -0.0025 -0.0055 0.0110 414 LEU 25 HD11 -0.0036 -0.0068 0.0102 415 LEU 25 HD12 -0.0039 -0.0072 0.0098 416 LEU 25 HD13 -0.0045 -0.0078 0.0112 417 LEU 25 HD21 -0.0027 -0.0057 0.0123 418 LEU 25 HD22 -0.0036 -0.0066 0.0135 419 LEU 25 HD23 -0.0024 -0.0052 0.0134 420 ALA 26 N 0.0113 -0.0047 0.0026 421 ALA 26 CA 0.0098 -0.0017 0.0004 422 ALA 26 C 0.0075 -0.0024 -0.0032 423 ALA 26 O 0.0062 0.0004 -0.0051 424 ALA 26 CB 0.0099 -0.0016 0.0005 425 ALA 26 H 0.0122 -0.0066 0.0039 426 ALA 26 HA 0.0103 0.0013 0.0012 427 ALA 26 HB1 0.0088 0.0007 -0.0012 428 ALA 26 HB2 0.0116 -0.0010 0.0031 429 ALA 26 HB3 0.0095 -0.0046 -0.0002 430 ASN 27 N 0.0027 -0.0006 -0.0027 431 ASN 27 CA 0.0017 -0.0015 -0.0055 432 ASN 27 C 0.0017 -0.0012 -0.0053 433 ASN 27 O 0.0007 -0.0001 -0.0072 434 ASN 27 CB 0.0019 -0.0047 -0.0066 435 ASN 27 CG 0.0012 -0.0047 -0.0084 436 ASN 27 OD1 -0.0000 -0.0034 -0.0106 437 ASN 27 ND2 0.0019 -0.0061 -0.0073 438 ASN 27 H 0.0035 -0.0022 -0.0016 439 ASN 27 HA 0.0007 0.0000 -0.0071 440 ASN 27 HB3 0.0016 -0.0058 -0.0079 441 ASN 27 HB2 0.0030 -0.0061 -0.0047 442 ASN 27 HD22 0.0015 -0.0062 -0.0084 443 ASN 27 HD21 0.0029 -0.0071 -0.0054 444 TRP 28 N 0.0003 -0.0000 0.0026 445 TRP 28 CA 0.0004 0.0004 0.0028 446 TRP 28 C 0.0001 0.0022 0.0029 447 TRP 28 O -0.0003 0.0027 0.0024 448 TRP 28 CB 0.0012 -0.0002 0.0040 449 TRP 28 CG 0.0015 -0.0018 0.0040 450 TRP 28 CD1 0.0021 -0.0029 0.0048 451 TRP 28 CD2 0.0012 -0.0027 0.0032 452 TRP 28 NE1 0.0022 -0.0043 0.0045 453 TRP 28 CE2 0.0017 -0.0043 0.0036 454 TRP 28 CE3 0.0006 -0.0024 0.0023 455 TRP 28 CZ2 0.0015 -0.0054 0.0030 456 TRP 28 CZ3 0.0005 -0.0035 0.0017 457 TRP 28 CH2 0.0009 -0.0050 0.0021 458 TRP 28 H 0.0008 -0.0005 0.0033 459 TRP 28 HA -0.0001 -0.0001 0.0019 460 TRP 28 HB3 0.0012 0.0004 0.0043 461 TRP 28 HB2 0.0016 0.0002 0.0049 462 TRP 28 HD1 0.0024 -0.0024 0.0055 463 TRP 28 HE1 0.0026 -0.0052 0.0050 464 TRP 28 HE3 0.0002 -0.0012 0.0020 465 TRP 28 HZ2 0.0019 -0.0066 0.0032 466 TRP 28 HZ3 -0.0000 -0.0033 0.0010 467 TRP 28 HH2 0.0008 -0.0059 0.0016 468 MET 29 N 0.0004 0.0025 0.0021 469 MET 29 CA -0.0002 0.0053 0.0024 470 MET 29 C -0.0012 0.0064 -0.0002 471 MET 29 O -0.0017 0.0079 -0.0007 472 MET 29 CB 0.0001 0.0067 0.0042 473 MET 29 CG 0.0011 0.0061 0.0069 474 MET 29 SD 0.0013 0.0073 0.0083 475 MET 29 CE 0.0004 0.0107 0.0081 476 MET 29 H 0.0007 0.0019 0.0029 477 MET 29 HA 0.0001 0.0054 0.0032 478 MET 29 HB3 -0.0004 0.0088 0.0040 479 MET 29 HB2 -0.0000 0.0063 0.0035 480 MET 29 HG3 0.0012 0.0070 0.0080 481 MET 29 HG2 0.0016 0.0041 0.0071 482 MET 29 HE1 0.0004 0.0118 0.0089 483 MET 29 HE2 0.0006 0.0113 0.0092 484 MET 29 HE3 -0.0003 0.0111 0.0061 485 CYS 30 N -0.0017 0.0061 -0.0052 486 CYS 30 CA -0.0040 0.0070 -0.0077 487 CYS 30 C -0.0033 0.0064 -0.0076 488 CYS 30 O -0.0052 0.0080 -0.0076 489 CYS 30 CB -0.0043 0.0057 -0.0114 490 CYS 30 SG -0.0073 0.0068 -0.0148 491 CYS 30 H -0.0005 0.0048 -0.0060 492 CYS 30 HA -0.0062 0.0090 -0.0070 493 CYS 30 HB3 -0.0022 0.0037 -0.0122 494 CYS 30 HB2 -0.0046 0.0060 -0.0113 495 LEU 31 N -0.0028 0.0043 -0.0031 496 LEU 31 CA -0.0027 0.0039 -0.0034 497 LEU 31 C -0.0029 0.0052 -0.0021 498 LEU 31 O -0.0037 0.0059 -0.0026 499 LEU 31 CB -0.0014 0.0022 -0.0032 500 LEU 31 CG -0.0011 0.0016 -0.0034 501 LEU 31 CD1 -0.0020 0.0014 -0.0052 502 LEU 31 CD2 0.0004 0.0001 -0.0027 503 LEU 31 H -0.0020 0.0034 -0.0028 504 LEU 31 HA -0.0035 0.0039 -0.0047 505 LEU 31 HB3 -0.0006 0.0021 -0.0019 506 LEU 31 HB2 -0.0013 0.0013 -0.0041 507 LEU 31 HG -0.0013 0.0026 -0.0025 508 LEU 31 HD11 -0.0017 0.0010 -0.0053 509 LEU 31 HD12 -0.0030 0.0026 -0.0056 510 LEU 31 HD13 -0.0018 0.0004 -0.0062 511 LEU 31 HD21 0.0006 -0.0002 -0.0028 512 LEU 31 HD22 0.0007 -0.0009 -0.0035 513 LEU 31 HD23 0.0009 0.0004 -0.0013 514 ALA 32 N -0.0021 0.0088 -0.0014 515 ALA 32 CA -0.0022 0.0100 0.0003 516 ALA 32 C -0.0040 0.0115 0.0002 517 ALA 32 O -0.0046 0.0125 0.0009 518 ALA 32 CB -0.0010 0.0101 0.0020 519 ALA 32 H -0.0013 0.0082 -0.0013 520 ALA 32 HA -0.0019 0.0098 0.0004 521 ALA 32 HB1 -0.0011 0.0111 0.0032 522 ALA 32 HB2 0.0003 0.0091 0.0020 523 ALA 32 HB3 -0.0013 0.0103 0.0019 524 LYS 33 N 0.0007 0.0141 0.0026 525 LYS 33 CA -0.0087 0.0130 0.0048 526 LYS 33 C -0.0105 0.0132 0.0079 527 LYS 33 O -0.0146 0.0135 0.0147 528 LYS 33 CB -0.0144 0.0110 -0.0035 529 LYS 33 CG -0.0243 0.0099 -0.0006 530 LYS 33 CD -0.0297 0.0089 -0.0019 531 LYS 33 CE -0.0390 0.0081 0.0024 532 LYS 33 NZ -0.0423 0.0077 0.0032 533 LYS 33 H 0.0026 0.0135 -0.0036 534 LYS 33 HA -0.0105 0.0135 0.0101 535 LYS 33 HB3 -0.0138 0.0104 -0.0082 536 LYS 33 HB2 -0.0121 0.0109 -0.0066 537 LYS 33 HG3 -0.0272 0.0090 -0.0041 538 LYS 33 HG2 -0.0247 0.0108 0.0064 539 LYS 33 HD3 -0.0262 0.0098 0.0004 540 LYS 33 HD2 -0.0303 0.0078 -0.0090 541 LYS 33 HE3 -0.0388 0.0090 0.0090 542 LYS 33 HE2 -0.0436 0.0069 -0.0016 543 LYS 33 HZ1 -0.0393 0.0089 0.0083 544 LYS 33 HZ2 -0.0408 0.0072 -0.0025 545 LYS 33 HZ3 -0.0489 0.0069 0.0042 546 TRP 34 N -0.0079 0.0079 0.0032 547 TRP 34 CA -0.0084 0.0074 0.0096 548 TRP 34 C -0.0037 0.0111 0.0172 549 TRP 34 O -0.0050 0.0099 0.0243 550 TRP 34 CB -0.0082 0.0076 0.0052 551 TRP 34 CG -0.0145 0.0027 -0.0007 552 TRP 34 CD1 -0.0147 0.0026 -0.0096 553 TRP 34 CD2 -0.0213 -0.0029 0.0023 554 TRP 34 NE1 -0.0213 -0.0027 -0.0124 555 TRP 34 CE2 -0.0255 -0.0062 -0.0053 556 TRP 34 CE3 -0.0243 -0.0055 0.0105 557 TRP 34 CZ2 -0.0325 -0.0118 -0.0051 558 TRP 34 CZ3 -0.0314 -0.0112 0.0107 559 TRP 34 CH2 -0.0353 -0.0143 0.0032 560 TRP 34 H -0.0054 0.0100 -0.0025 561 TRP 34 HA -0.0135 0.0032 0.0123 562 TRP 34 HB3 -0.0082 0.0075 0.0102 563 TRP 34 HB2 -0.0037 0.0114 0.0012 564 TRP 34 HD1 -0.0101 0.0064 -0.0132 565 TRP 34 HE1 -0.0223 -0.0034 -0.0189 566 TRP 34 HE3 -0.0212 -0.0031 0.0164 567 TRP 34 HZ2 -0.0354 -0.0141 -0.0111 568 TRP 34 HZ3 -0.0339 -0.0134 0.0169 569 TRP 34 HH2 -0.0408 -0.0187 0.0038 570 GLU 35 N -0.0050 0.0103 -0.0011 571 GLU 35 CA -0.0046 0.0094 -0.0012 572 GLU 35 C -0.0050 0.0116 0.0006 573 GLU 35 O -0.0057 0.0121 -0.0005 574 GLU 35 CB -0.0027 0.0065 -0.0001 575 GLU 35 CG -0.0023 0.0039 -0.0022 576 GLU 35 CD -0.0031 0.0031 -0.0051 577 GLU 35 OE1 -0.0039 0.0043 -0.0055 578 GLU 35 OE2 -0.0030 0.0012 -0.0071 579 GLU 35 H -0.0040 0.0095 0.0003 580 GLU 35 HA -0.0054 0.0090 -0.0035 581 GLU 35 HB3 -0.0023 0.0061 0.0004 582 GLU 35 HB2 -0.0018 0.0066 0.0021 583 GLU 35 HG3 -0.0008 0.0020 -0.0011 584 GLU 35 HG2 -0.0027 0.0043 -0.0027 585 SER 36 N -0.0047 0.0091 -0.0021 586 SER 36 CA -0.0050 0.0092 -0.0007 587 SER 36 C -0.0061 0.0102 -0.0000 588 SER 36 O -0.0064 0.0104 0.0011 589 SER 36 CB -0.0042 0.0083 0.0003 590 SER 36 OG -0.0043 0.0084 0.0008 591 SER 36 H -0.0049 0.0093 -0.0021 592 SER 36 HA -0.0050 0.0092 -0.0010 593 SER 36 HB3 -0.0034 0.0076 -0.0002 594 SER 36 HB2 -0.0043 0.0083 0.0013 595 SER 36 HG -0.0038 0.0079 0.0003 596 GLY 37 N -0.0102 0.0167 0.0032 597 GLY 37 CA -0.0100 0.0158 0.0025 598 GLY 37 C -0.0083 0.0167 0.0015 599 GLY 37 O -0.0081 0.0167 0.0013 600 GLY 37 H -0.0103 0.0160 0.0029 601 GLY 37 HA3 -0.0109 0.0158 0.0034 602 GLY 37 HA2 -0.0102 0.0143 0.0018 603 TYR 38 N -0.0042 0.0133 -0.0033 604 TYR 38 CA -0.0050 0.0126 -0.0020 605 TYR 38 C -0.0052 0.0118 -0.0029 606 TYR 38 O -0.0055 0.0117 -0.0020 607 TYR 38 CB -0.0046 0.0138 -0.0003 608 TYR 38 CG -0.0043 0.0148 0.0008 609 TYR 38 CD1 -0.0048 0.0141 0.0013 610 TYR 38 CD2 -0.0034 0.0166 0.0014 611 TYR 38 CE1 -0.0045 0.0151 0.0023 612 TYR 38 CE2 -0.0031 0.0175 0.0025 613 TYR 38 CZ -0.0036 0.0168 0.0029 614 TYR 38 OH -0.0033 0.0177 0.0039 615 TYR 38 H -0.0045 0.0127 -0.0036 616 TYR 38 HA -0.0057 0.0116 -0.0015 617 TYR 38 HB3 -0.0053 0.0132 0.0008 618 TYR 38 HB2 -0.0040 0.0147 -0.0007 619 TYR 38 HD1 -0.0055 0.0128 0.0009 620 TYR 38 HD2 -0.0030 0.0172 0.0011 621 TYR 38 HE1 -0.0049 0.0144 0.0026 622 TYR 38 HE2 -0.0024 0.0188 0.0030 623 TYR 38 HH -0.0037 0.0170 0.0039 624 ASN 39 N -0.0030 0.0021 -0.0075 625 ASN 39 CA -0.0028 0.0016 -0.0063 626 ASN 39 C -0.0014 0.0013 -0.0061 627 ASN 39 O -0.0006 0.0013 -0.0065 628 ASN 39 CB -0.0031 0.0016 -0.0061 629 ASN 39 CG -0.0029 0.0011 -0.0048 630 ASN 39 OD1 -0.0027 0.0008 -0.0040 631 ASN 39 ND2 -0.0030 0.0011 -0.0047 632 ASN 39 H -0.0026 0.0023 -0.0081 633 ASN 39 HA -0.0034 0.0015 -0.0057 634 ASN 39 HB3 -0.0026 0.0017 -0.0067 635 ASN 39 HB2 -0.0041 0.0019 -0.0062 636 ASN 39 HD22 -0.0029 0.0007 -0.0039 637 ASN 39 HD21 -0.0032 0.0014 -0.0054 638 THR 40 N 0.0056 -0.0073 -0.0062 639 THR 40 CA 0.0078 -0.0069 -0.0056 640 THR 40 C 0.0075 -0.0061 -0.0038 641 THR 40 O 0.0092 -0.0059 -0.0036 642 THR 40 CB 0.0099 -0.0066 -0.0049 643 THR 40 OG1 0.0093 -0.0055 -0.0029 644 THR 40 CG2 0.0105 -0.0074 -0.0066 645 THR 40 H 0.0054 -0.0071 -0.0058 646 THR 40 HA 0.0085 -0.0077 -0.0071 647 THR 40 HB 0.0116 -0.0064 -0.0046 648 THR 40 HG1 0.0107 -0.0050 -0.0020 649 THR 40 HG21 0.0120 -0.0071 -0.0061 650 THR 40 HG22 0.0111 -0.0082 -0.0082 651 THR 40 HG23 0.0089 -0.0076 -0.0069 652 ARG 41 N 0.0017 -0.0031 0.0138 653 ARG 41 CA 0.0050 -0.0103 -0.0009 654 ARG 41 C 0.0075 -0.0064 -0.0342 655 ARG 41 O 0.0106 -0.0126 -0.0493 656 ARG 41 CB -0.0017 0.0119 0.0098 657 ARG 41 CG 0.0010 0.0004 0.0119 658 ARG 41 CD -0.0057 0.0243 0.0186 659 ARG 41 NE -0.0038 0.0260 -0.0041 660 ARG 41 CZ 0.0014 0.0070 -0.0080 661 ARG 41 NH1 0.0028 -0.0080 0.0148 662 ARG 41 NH2 0.0053 0.0025 -0.0348 663 ARG 41 H -0.0042 0.0176 0.0196 664 ARG 41 HA 0.0099 -0.0322 0.0050 665 ARG 41 HB3 -0.0050 0.0309 -0.0049 666 ARG 41 HB2 -0.0060 0.0201 0.0311 667 ARG 41 HG3 0.0034 -0.0162 0.0292 668 ARG 41 HG2 0.0056 -0.0096 -0.0088 669 ARG 41 HD3 -0.0110 0.0448 0.0196 670 ARG 41 HD2 -0.0069 0.0198 0.0400 671 ARG 41 HE -0.0069 0.0436 -0.0175 672 ARG 41 HH12 0.0068 -0.0225 0.0113 673 ARG 41 HH11 -0.0002 -0.0048 0.0355 674 ARG 41 HH22 0.0092 -0.0120 -0.0377 675 ARG 41 HH21 0.0043 0.0138 -0.0524 676 ALA 42 N -0.0029 0.0034 0.0041 677 ALA 42 CA -0.0038 0.0031 0.0038 678 ALA 42 C -0.0027 0.0035 0.0042 679 ALA 42 O -0.0011 0.0036 0.0036 680 ALA 42 CB -0.0044 0.0023 0.0019 681 ALA 42 H -0.0027 0.0031 0.0031 682 ALA 42 HA -0.0050 0.0031 0.0047 683 ALA 42 HB1 -0.0050 0.0021 0.0017 684 ALA 42 HB2 -0.0053 0.0020 0.0017 685 ALA 42 HB3 -0.0032 0.0022 0.0010 686 THR 43 N -0.0118 0.0067 0.0117 687 THR 43 CA -0.0085 0.0067 0.0118 688 THR 43 C -0.0111 0.0065 0.0104 689 THR 43 O -0.0151 0.0066 0.0115 690 THR 43 CB -0.0065 0.0073 0.0166 691 THR 43 OG1 -0.0103 0.0077 0.0196 692 THR 43 CG2 -0.0038 0.0076 0.0183 693 THR 43 H -0.0151 0.0068 0.0130 694 THR 43 HA -0.0057 0.0064 0.0094 695 THR 43 HB -0.0042 0.0073 0.0164 696 THR 43 HG1 -0.0119 0.0075 0.0185 697 THR 43 HG21 -0.0024 0.0080 0.0217 698 THR 43 HG22 -0.0010 0.0073 0.0159 699 THR 43 HG23 -0.0061 0.0076 0.0185 700 ASN 44 N 0.0003 0.0109 0.0085 701 ASN 44 CA -0.0013 0.0130 0.0008 702 ASN 44 C 0.0052 0.0080 -0.0022 703 ASN 44 O 0.0104 0.0039 -0.0043 704 ASN 44 CB -0.0033 0.0154 -0.0064 705 ASN 44 CG -0.0044 0.0171 -0.0148 706 ASN 44 OD1 -0.0083 0.0203 -0.0149 707 ASN 44 ND2 -0.0010 0.0151 -0.0219 708 ASN 44 H 0.0049 0.0072 0.0087 709 ASN 44 HA -0.0053 0.0161 0.0025 710 ASN 44 HB3 0.0006 0.0123 -0.0074 711 ASN 44 HB2 -0.0078 0.0189 -0.0042 712 ASN 44 HD22 -0.0016 0.0162 -0.0277 713 ASN 44 HD21 0.0021 0.0125 -0.0215 714 TYR 45 N 0.0364 -0.0013 -0.0111 715 TYR 45 CA 0.0267 0.0029 -0.0092 716 TYR 45 C 0.0234 -0.0013 0.0008 717 TYR 45 O 0.0284 -0.0055 0.0035 718 TYR 45 CB 0.0251 0.0077 -0.0158 719 TYR 45 CG 0.0151 0.0122 -0.0143 720 TYR 45 CD1 0.0078 0.0165 -0.0149 721 TYR 45 CD2 0.0130 0.0120 -0.0120 722 TYR 45 CE1 -0.0013 0.0205 -0.0133 723 TYR 45 CE2 0.0037 0.0161 -0.0105 724 TYR 45 CZ -0.0032 0.0204 -0.0113 725 TYR 45 OH -0.0126 0.0245 -0.0096 726 TYR 45 H 0.0413 -0.0022 -0.0140 727 TYR 45 HA 0.0224 0.0056 -0.0099 728 TYR 45 HB3 0.0297 0.0050 -0.0156 729 TYR 45 HB2 0.0275 0.0106 -0.0229 730 TYR 45 HD1 0.0093 0.0168 -0.0168 731 TYR 45 HD2 0.0185 0.0087 -0.0115 732 TYR 45 HE1 -0.0070 0.0238 -0.0136 733 TYR 45 HE2 0.0019 0.0160 -0.0086 734 TYR 45 HH -0.0168 0.0259 -0.0082 735 ASN 46 N 0.0061 -0.0018 -0.0094 736 ASN 46 CA 0.0039 -0.0036 -0.0077 737 ASN 46 C 0.0011 -0.0017 -0.0072 738 ASN 46 O -0.0000 -0.0004 -0.0072 739 ASN 46 CB 0.0041 -0.0051 -0.0071 740 ASN 46 CG 0.0068 -0.0069 -0.0076 741 ASN 46 OD1 0.0077 -0.0089 -0.0072 742 ASN 46 ND2 0.0084 -0.0062 -0.0086 743 ASN 46 H 0.0064 -0.0007 -0.0099 744 ASN 46 HA 0.0043 -0.0051 -0.0072 745 ASN 46 HB3 0.0025 -0.0065 -0.0059 746 ASN 46 HB2 0.0037 -0.0036 -0.0076 747 ASN 46 HD22 0.0103 -0.0073 -0.0090 748 ASN 46 HD21 0.0078 -0.0045 -0.0090 749 ALA 47 N 0.0010 -0.0207 0.0073 750 ALA 47 CA -0.0057 -0.0140 0.0140 751 ALA 47 C -0.0171 -0.0042 0.0338 752 ALA 47 O -0.0278 0.0082 0.0366 753 ALA 47 CB 0.0062 -0.0293 0.0194 754 ALA 47 H 0.0117 -0.0336 0.0070 755 ALA 47 HA -0.0106 -0.0055 0.0004 756 ALA 47 HB1 0.0015 -0.0246 0.0244 757 ALA 47 HB2 0.0142 -0.0361 0.0047 758 ALA 47 HB3 0.0114 -0.0380 0.0327 759 GLY 48 N 0.0344 -0.0138 0.0115 760 GLY 48 CA 0.0248 -0.0022 0.0337 761 GLY 48 C -0.0364 -0.0163 0.0366 762 GLY 48 O -0.0462 -0.0255 0.0261 763 GLY 48 H 0.0472 0.0032 0.0331 764 GLY 48 HA3 0.0381 0.0254 0.0719 765 GLY 48 HA2 0.0545 -0.0082 0.0120 766 ASP 49 N -0.0167 -0.0034 -0.0052 767 ASP 49 CA -0.0145 -0.0031 -0.0055 768 ASP 49 C -0.0109 0.0016 -0.0052 769 ASP 49 O -0.0087 0.0022 -0.0054 770 ASP 49 CB -0.0119 -0.0083 -0.0065 771 ASP 49 CG -0.0066 -0.0092 -0.0072 772 ASP 49 OD1 -0.0048 -0.0061 -0.0070 773 ASP 49 OD2 -0.0039 -0.0129 -0.0081 774 ASP 49 H -0.0141 -0.0038 -0.0056 775 ASP 49 HA -0.0179 -0.0027 -0.0050 776 ASP 49 HB3 -0.0146 -0.0115 -0.0066 777 ASP 49 HB2 -0.0117 -0.0086 -0.0066 778 ARG 50 N -0.0264 0.0112 -0.0221 779 ARG 50 CA -0.0239 0.0074 -0.0052 780 ARG 50 C -0.0234 0.0064 -0.0007 781 ARG 50 O -0.0177 0.0022 0.0123 782 ARG 50 CB -0.0097 0.0011 0.0001 783 ARG 50 CG -0.0128 0.0020 0.0019 784 ARG 50 CD 0.0017 -0.0041 0.0060 785 ARG 50 NE 0.0063 -0.0036 -0.0073 786 ARG 50 CZ 0.0165 -0.0076 -0.0069 787 ARG 50 NH1 0.0173 -0.0101 0.0068 788 ARG 50 NH2 0.0250 -0.0085 -0.0203 789 ARG 50 H -0.0368 0.0154 -0.0243 790 ARG 50 HA -0.0338 0.0100 0.0018 791 ARG 50 HB3 -0.0062 -0.0021 0.0117 792 ARG 50 HB2 -0.0000 -0.0010 -0.0089 793 ARG 50 HG3 -0.0171 0.0055 -0.0094 794 ARG 50 HG2 -0.0218 0.0038 0.0116 795 ARG 50 HD3 -0.0005 -0.0052 0.0172 796 ARG 50 HD2 0.0111 -0.0079 0.0076 797 ARG 50 HE 0.0006 0.0002 -0.0176 798 ARG 50 HH12 0.0251 -0.0132 0.0072 799 ARG 50 HH11 0.0101 -0.0091 0.0166 800 ARG 50 HH22 0.0329 -0.0115 -0.0202 801 ARG 50 HH21 0.0236 -0.0063 -0.0307 802 SER 51 N -0.0060 0.0003 -0.0044 803 SER 51 CA -0.0015 -0.0005 -0.0036 804 SER 51 C 0.0002 0.0012 -0.0030 805 SER 51 O -0.0019 0.0021 -0.0034 806 SER 51 CB -0.0008 -0.0053 -0.0038 807 SER 51 OG -0.0018 -0.0072 -0.0042 808 SER 51 H -0.0078 -0.0016 -0.0050 809 SER 51 HA -0.0001 0.0009 -0.0031 810 SER 51 HB3 -0.0025 -0.0066 -0.0043 811 SER 51 HB2 0.0025 -0.0059 -0.0032 812 SER 51 HG -0.0047 -0.0076 -0.0049 813 THR 52 N 0.0092 -0.0003 0.0008 814 THR 52 CA 0.0099 0.0017 0.0021 815 THR 52 C 0.0121 -0.0001 0.0029 816 THR 52 O 0.0140 -0.0022 0.0033 817 THR 52 CB 0.0109 0.0044 0.0039 818 THR 52 OG1 0.0088 0.0061 0.0031 819 THR 52 CG2 0.0117 0.0067 0.0053 820 THR 52 H 0.0108 -0.0016 0.0014 821 THR 52 HA 0.0080 0.0027 0.0012 822 THR 52 HB 0.0127 0.0035 0.0047 823 THR 52 HG1 0.0077 0.0047 0.0018 824 THR 52 HG21 0.0124 0.0085 0.0065 825 THR 52 HG22 0.0133 0.0055 0.0059 826 THR 52 HG23 0.0099 0.0077 0.0045 827 ASP 53 N 0.0074 -0.0015 -0.0001 828 ASP 53 CA 0.0075 -0.0015 0.0005 829 ASP 53 C 0.0070 -0.0000 0.0046 830 ASP 53 O 0.0051 0.0022 0.0059 831 ASP 53 CB 0.0053 0.0001 -0.0024 832 ASP 53 CG 0.0055 -0.0010 -0.0065 833 ASP 53 OD1 0.0078 -0.0036 -0.0075 834 ASP 53 OD2 0.0034 0.0006 -0.0087 835 ASP 53 H 0.0055 0.0003 -0.0007 836 ASP 53 HA 0.0096 -0.0036 0.0001 837 ASP 53 HB3 0.0054 0.0001 -0.0019 838 ASP 53 HB2 0.0032 0.0023 -0.0018 839 TYR 54 N 0.0033 -0.0003 0.0054 840 TYR 54 CA 0.0036 0.0002 0.0069 841 TYR 54 C 0.0034 -0.0006 0.0046 842 TYR 54 O 0.0051 -0.0011 0.0021 843 TYR 54 CB 0.0069 0.0015 0.0083 844 TYR 54 CG 0.0073 0.0025 0.0111 845 TYR 54 CD1 0.0084 0.0026 0.0108 846 TYR 54 CD2 0.0066 0.0034 0.0142 847 TYR 54 CE1 0.0088 0.0037 0.0135 848 TYR 54 CE2 0.0069 0.0044 0.0168 849 TYR 54 CZ 0.0081 0.0045 0.0164 850 TYR 54 OH 0.0085 0.0056 0.0191 851 TYR 54 H 0.0050 -0.0006 0.0036 852 TYR 54 HA 0.0016 0.0005 0.0087 853 TYR 54 HB3 0.0074 0.0018 0.0090 854 TYR 54 HB2 0.0089 0.0012 0.0065 855 TYR 54 HD1 0.0091 0.0020 0.0085 856 TYR 54 HD2 0.0059 0.0034 0.0145 857 TYR 54 HE1 0.0097 0.0037 0.0132 858 TYR 54 HE2 0.0062 0.0051 0.0191 859 TYR 54 HH 0.0096 0.0056 0.0185 860 GLY 55 N 0.0028 -0.0016 0.0030 861 GLY 55 CA 0.0024 -0.0014 0.0032 862 GLY 55 C 0.0015 -0.0013 0.0018 863 GLY 55 O 0.0007 -0.0011 0.0007 864 GLY 55 H 0.0021 -0.0013 0.0037 865 GLY 55 HA3 0.0035 -0.0018 0.0034 866 GLY 55 HA2 0.0019 -0.0011 0.0043 867 ILE 56 N 0.0039 -0.0002 -0.0006 868 ILE 56 CA 0.0030 0.0004 -0.0013 869 ILE 56 C 0.0032 -0.0000 -0.0032 870 ILE 56 O 0.0022 0.0007 -0.0043 871 ILE 56 CB 0.0032 0.0005 -0.0001 872 ILE 56 CG1 0.0021 0.0015 -0.0004 873 ILE 56 CG2 0.0046 -0.0007 -0.0001 874 ILE 56 CD1 0.0020 0.0018 0.0011 875 ILE 56 H 0.0046 -0.0007 0.0004 876 ILE 56 HA 0.0020 0.0014 -0.0013 877 ILE 56 HB 0.0032 0.0008 0.0013 878 ILE 56 HG13 0.0011 0.0023 -0.0007 879 ILE 56 HG12 0.0021 0.0012 -0.0017 880 ILE 56 HG21 0.0047 -0.0006 0.0008 881 ILE 56 HG22 0.0054 -0.0014 0.0003 882 ILE 56 HG23 0.0047 -0.0011 -0.0015 883 ILE 56 HD11 0.0011 0.0025 0.0008 884 ILE 56 HD12 0.0018 0.0022 0.0023 885 ILE 56 HD13 0.0029 0.0010 0.0013 886 PHE 57 N 0.0015 0.0009 0.0018 887 PHE 57 CA 0.0015 -0.0001 -0.0000 888 PHE 57 C 0.0012 -0.0005 -0.0017 889 PHE 57 O 0.0012 -0.0014 -0.0034 890 PHE 57 CB 0.0026 -0.0019 0.0004 891 PHE 57 CG 0.0030 -0.0018 0.0019 892 PHE 57 CD1 0.0024 -0.0009 0.0016 893 PHE 57 CD2 0.0040 -0.0027 0.0035 894 PHE 57 CE1 0.0028 -0.0008 0.0029 895 PHE 57 CE2 0.0044 -0.0026 0.0049 896 PHE 57 CZ 0.0038 -0.0017 0.0046 897 PHE 57 H 0.0021 0.0002 0.0026 898 PHE 57 HA 0.0009 0.0007 -0.0005 899 PHE 57 HB3 0.0026 -0.0027 -0.0010 900 PHE 57 HB2 0.0033 -0.0027 0.0008 901 PHE 57 HD1 0.0017 -0.0003 0.0003 902 PHE 57 HD2 0.0045 -0.0034 0.0038 903 PHE 57 HE1 0.0023 -0.0001 0.0027 904 PHE 57 HE2 0.0052 -0.0033 0.0061 905 PHE 57 HZ 0.0041 -0.0016 0.0057 906 GLN 58 N 0.0011 0.0011 0.0008 907 GLN 58 CA 0.0008 0.0008 -0.0013 908 GLN 58 C 0.0027 -0.0019 -0.0028 909 GLN 58 O 0.0025 -0.0025 -0.0056 910 GLN 58 CB -0.0011 0.0025 -0.0036 911 GLN 58 CG -0.0030 0.0052 -0.0022 912 GLN 58 CD -0.0032 0.0057 -0.0012 913 GLN 58 OE1 -0.0039 0.0061 -0.0030 914 GLN 58 NE2 -0.0024 0.0056 0.0017 915 GLN 58 H 0.0009 0.0019 0.0030 916 GLN 58 HA 0.0008 0.0012 0.0001 917 GLN 58 HB3 -0.0011 0.0021 -0.0054 918 GLN 58 HB2 -0.0012 0.0024 -0.0048 919 GLN 58 HG3 -0.0043 0.0064 -0.0039 920 GLN 58 HG2 -0.0029 0.0057 -0.0002 921 GLN 58 HE22 -0.0025 0.0059 0.0025 922 GLN 58 HE21 -0.0017 0.0052 0.0032 923 ILE 59 N 0.0030 -0.0077 -0.0011 924 ILE 59 CA 0.0025 -0.0079 -0.0011 925 ILE 59 C 0.0029 -0.0086 -0.0018 926 ILE 59 O 0.0031 -0.0092 -0.0023 927 ILE 59 CB 0.0015 -0.0082 -0.0008 928 ILE 59 CG1 0.0011 -0.0075 -0.0000 929 ILE 59 CG2 0.0010 -0.0086 -0.0008 930 ILE 59 CD1 0.0001 -0.0077 0.0003 931 ILE 59 H 0.0026 -0.0080 -0.0012 932 ILE 59 HA 0.0027 -0.0074 -0.0007 933 ILE 59 HB 0.0013 -0.0087 -0.0011 934 ILE 59 HG13 0.0016 -0.0071 0.0000 935 ILE 59 HG12 0.0011 -0.0071 0.0003 936 ILE 59 HG21 0.0002 -0.0088 -0.0006 937 ILE 59 HG22 0.0013 -0.0091 -0.0014 938 ILE 59 HG23 0.0012 -0.0081 -0.0005 939 ILE 59 HD11 -0.0001 -0.0072 0.0008 940 ILE 59 HD12 0.0001 -0.0081 0.0000 941 ILE 59 HD13 -0.0004 -0.0081 0.0003 942 ASN 60 N 0.0093 -0.0121 -0.0029 943 ASN 60 CA 0.0090 -0.0124 -0.0042 944 ASN 60 C 0.0083 -0.0134 -0.0046 945 ASN 60 O 0.0077 -0.0142 -0.0039 946 ASN 60 CB 0.0091 -0.0123 -0.0044 947 ASN 60 CG 0.0090 -0.0125 -0.0058 948 ASN 60 OD1 0.0083 -0.0134 -0.0063 949 ASN 60 ND2 0.0096 -0.0117 -0.0066 950 ASN 60 H 0.0091 -0.0122 -0.0022 951 ASN 60 HA 0.0095 -0.0118 -0.0049 952 ASN 60 HB3 0.0086 -0.0129 -0.0038 953 ASN 60 HB2 0.0096 -0.0116 -0.0041 954 ASN 60 HD22 0.0096 -0.0117 -0.0076 955 ASN 60 HD21 0.0101 -0.0110 -0.0062 956 SER 61 N 0.0027 -0.0044 0.0028 957 SER 61 CA 0.0032 -0.0035 0.0031 958 SER 61 C 0.0024 -0.0043 0.0027 959 SER 61 O 0.0029 -0.0037 0.0030 960 SER 61 CB 0.0025 -0.0015 0.0037 961 SER 61 OG 0.0006 -0.0014 0.0034 962 SER 61 H 0.0017 -0.0038 0.0028 963 SER 61 HA 0.0047 -0.0036 0.0034 964 SER 61 HB3 0.0030 -0.0009 0.0040 965 SER 61 HB2 0.0030 -0.0008 0.0040 966 SER 61 HG 0.0001 -0.0005 0.0036 967 ARG 62 N 0.0039 -0.0097 -0.0077 968 ARG 62 CA 0.0047 -0.0102 -0.0084 969 ARG 62 C 0.0060 -0.0108 -0.0090 970 ARG 62 O 0.0071 -0.0112 -0.0090 971 ARG 62 CB 0.0037 -0.0104 -0.0096 972 ARG 62 CG 0.0046 -0.0109 -0.0103 973 ARG 62 CD 0.0036 -0.0109 -0.0110 974 ARG 62 NE 0.0035 -0.0104 -0.0099 975 ARG 62 CZ 0.0023 -0.0099 -0.0095 976 ARG 62 NH1 0.0012 -0.0097 -0.0100 977 ARG 62 NH2 0.0021 -0.0095 -0.0088 978 ARG 62 H 0.0030 -0.0096 -0.0082 979 ARG 62 HA 0.0051 -0.0100 -0.0076 980 ARG 62 HB3 0.0033 -0.0105 -0.0103 981 ARG 62 HB2 0.0029 -0.0099 -0.0091 982 ARG 62 HG3 0.0055 -0.0109 -0.0096 983 ARG 62 HG2 0.0051 -0.0114 -0.0112 984 ARG 62 HD3 0.0041 -0.0113 -0.0119 985 ARG 62 HD2 0.0026 -0.0106 -0.0113 986 ARG 62 HE 0.0044 -0.0106 -0.0096 987 ARG 62 HH12 0.0002 -0.0093 -0.0097 988 ARG 62 HH11 0.0013 -0.0100 -0.0107 989 ARG 62 HH22 0.0011 -0.0091 -0.0084 990 ARG 62 HH21 0.0029 -0.0097 -0.0086 991 TYR 63 N 0.0061 -0.0129 -0.0141 992 TYR 63 CA 0.0047 -0.0110 -0.0143 993 TYR 63 C 0.0088 -0.0089 -0.0236 994 TYR 63 O 0.0062 -0.0045 -0.0249 995 TYR 63 CB 0.0072 -0.0194 -0.0076 996 TYR 63 CG 0.0033 -0.0219 0.0020 997 TYR 63 CD1 -0.0041 -0.0168 0.0078 998 TYR 63 CD2 0.0067 -0.0288 0.0052 999 TYR 63 CE1 -0.0078 -0.0188 0.0166 1000 TYR 63 CE2 0.0029 -0.0309 0.0141 1001 TYR 63 CZ -0.0043 -0.0259 0.0197 1002 TYR 63 OH -0.0081 -0.0278 0.0285 1003 TYR 63 H 0.0108 -0.0185 -0.0147 1004 TYR 63 HA -0.0011 -0.0056 -0.0114 1005 TYR 63 HB3 0.0060 -0.0183 -0.0071 1006 TYR 63 HB2 0.0130 -0.0246 -0.0106 1007 TYR 63 HD1 -0.0068 -0.0113 0.0053 1008 TYR 63 HD2 0.0124 -0.0327 0.0008 1009 TYR 63 HE1 -0.0135 -0.0149 0.0210 1010 TYR 63 HE2 0.0056 -0.0363 0.0166 1011 TYR 63 HH -0.0050 -0.0339 0.0310 1012 TRP 64 N -0.0006 -0.0070 -0.0070 1013 TRP 64 CA -0.0035 -0.0070 -0.0115 1014 TRP 64 C -0.0054 -0.0089 -0.0171 1015 TRP 64 O -0.0094 -0.0067 -0.0203 1016 TRP 64 CB -0.0010 -0.0097 -0.0112 1017 TRP 64 CG 0.0006 -0.0075 -0.0057 1018 TRP 64 CD1 0.0050 -0.0096 -0.0018 1019 TRP 64 CD2 -0.0020 -0.0028 -0.0034 1020 TRP 64 NE1 0.0051 -0.0065 0.0027 1021 TRP 64 CE2 0.0009 -0.0023 0.0019 1022 TRP 64 CE3 -0.0066 0.0009 -0.0054 1023 TRP 64 CZ2 -0.0007 0.0019 0.0052 1024 TRP 64 CZ3 -0.0081 0.0052 -0.0020 1025 TRP 64 CH2 -0.0051 0.0055 0.0032 1026 TRP 64 H 0.0023 -0.0102 -0.0069 1027 TRP 64 HA -0.0064 -0.0032 -0.0108 1028 TRP 64 HB3 -0.0031 -0.0095 -0.0143 1029 TRP 64 HB2 0.0019 -0.0135 -0.0120 1030 TRP 64 HD1 0.0076 -0.0132 -0.0027 1031 TRP 64 HE1 0.0081 -0.0074 0.0060 1032 TRP 64 HE3 -0.0089 0.0006 -0.0095 1033 TRP 64 HZ2 0.0017 0.0022 0.0093 1034 TRP 64 HZ3 -0.0117 0.0081 -0.0034 1035 TRP 64 HH2 -0.0064 0.0089 0.0057 1036 CYS 65 N -0.0119 -0.0028 -0.0014 1037 CYS 65 CA -0.0116 -0.0028 0.0008 1038 CYS 65 C -0.0110 -0.0029 0.0020 1039 CYS 65 O -0.0113 -0.0028 0.0013 1040 CYS 65 CB -0.0135 -0.0024 0.0018 1041 CYS 65 SG -0.0157 -0.0020 0.0019 1042 CYS 65 H -0.0130 -0.0026 -0.0018 1043 CYS 65 HA -0.0103 -0.0030 0.0009 1044 CYS 65 HB3 -0.0138 -0.0024 0.0009 1045 CYS 65 HB2 -0.0131 -0.0025 0.0033 1046 ASN 66 N -0.0193 0.0050 0.0167 1047 ASN 66 CA -0.0219 0.0087 0.0185 1048 ASN 66 C -0.0222 0.0106 0.0190 1049 ASN 66 O -0.0192 0.0121 0.0175 1050 ASN 66 CB -0.0204 0.0123 0.0181 1051 ASN 66 CG -0.0231 0.0161 0.0201 1052 ASN 66 OD1 -0.0267 0.0154 0.0221 1053 ASN 66 ND2 -0.0214 0.0201 0.0196 1054 ASN 66 H -0.0164 0.0057 0.0151 1055 ASN 66 HA -0.0248 0.0074 0.0200 1056 ASN 66 HB3 -0.0175 0.0136 0.0166 1057 ASN 66 HB2 -0.0202 0.0109 0.0178 1058 ASN 66 HD22 -0.0229 0.0229 0.0208 1059 ASN 66 HD21 -0.0184 0.0205 0.0180 1060 ASP 67 N 0.0025 0.0098 0.0254 1061 ASP 67 CA 0.0048 0.0122 0.0212 1062 ASP 67 C 0.0014 0.0124 0.0169 1063 ASP 67 O 0.0028 0.0142 0.0130 1064 ASP 67 CB 0.0089 0.0138 0.0213 1065 ASP 67 CG 0.0081 0.0133 0.0216 1066 ASP 67 OD1 0.0040 0.0119 0.0211 1067 ASP 67 OD2 0.0115 0.0145 0.0221 1068 ASP 67 H 0.0011 0.0090 0.0262 1069 ASP 67 HA 0.0060 0.0128 0.0209 1070 ASP 67 HB3 0.0114 0.0137 0.0242 1071 ASP 67 HB2 0.0107 0.0155 0.0183 1072 GLY 68 N -0.0099 0.0181 0.0027 1073 GLY 68 CA -0.0429 0.0253 -0.0286 1074 GLY 68 C -0.0289 0.0224 -0.0202 1075 GLY 68 O -0.0651 0.0294 -0.0316 1076 GLY 68 H -0.0273 0.0196 0.0393 1077 GLY 68 HA3 -0.0405 0.0268 -0.0745 1078 GLY 68 HA2 -0.0879 0.0329 -0.0189 1079 LYS 69 N 0.0198 -0.0019 0.0108 1080 LYS 69 CA 0.0119 0.0035 -0.0012 1081 LYS 69 C 0.0075 -0.0015 -0.0094 1082 LYS 69 O 0.0012 0.0036 -0.0190 1083 LYS 69 CB 0.0107 0.0194 -0.0002 1084 LYS 69 CG 0.0137 0.0266 0.0063 1085 LYS 69 CD 0.0112 0.0423 0.0053 1086 LYS 69 CE 0.0117 0.0489 0.0073 1087 LYS 69 NZ 0.0172 0.0590 0.0184 1088 LYS 69 H 0.0228 0.0015 0.0165 1089 LYS 69 HA 0.0098 -0.0004 -0.0055 1090 LYS 69 HB3 0.0131 0.0225 0.0045 1091 LYS 69 HB2 0.0048 0.0233 -0.0091 1092 LYS 69 HG3 0.0118 0.0225 0.0024 1093 LYS 69 HG2 0.0197 0.0243 0.0158 1094 LYS 69 HD3 0.0146 0.0469 0.0118 1095 LYS 69 HD2 0.0056 0.0446 -0.0036 1096 LYS 69 HE3 0.0063 0.0545 -0.0005 1097 LYS 69 HE2 0.0134 0.0408 0.0086 1098 LYS 69 HZ1 0.0174 0.0633 0.0196 1099 LYS 69 HZ2 0.0155 0.0666 0.0171 1100 LYS 69 HZ3 0.0222 0.0538 0.0256 1101 THR 70 N 0.0018 -0.0001 0.0118 1102 THR 70 CA 0.0003 -0.0018 0.0074 1103 THR 70 C 0.0026 -0.0047 0.0052 1104 THR 70 O 0.0062 -0.0067 0.0061 1105 THR 70 CB 0.0010 -0.0027 0.0067 1106 THR 70 OG1 -0.0010 0.0001 0.0089 1107 THR 70 CG2 -0.0009 -0.0041 0.0022 1108 THR 70 H 0.0043 -0.0008 0.0134 1109 THR 70 HA -0.0028 -0.0003 0.0063 1110 THR 70 HB 0.0041 -0.0043 0.0076 1111 THR 70 HG1 -0.0000 0.0012 0.0117 1112 THR 70 HG21 -0.0004 -0.0048 0.0017 1113 THR 70 HG22 0.0004 -0.0062 0.0004 1114 THR 70 HG23 -0.0040 -0.0024 0.0014 1115 PRO 71 N 0.0211 -0.0204 0.0185 1116 PRO 71 CA 0.0446 -0.0263 0.0061 1117 PRO 71 C 0.0440 -0.0148 -0.0091 1118 PRO 71 O 0.0284 0.0010 -0.0172 1119 PRO 71 CB 0.0553 -0.0233 -0.0072 1120 PRO 71 CG 0.0405 -0.0212 0.0028 1121 PRO 71 CD 0.0163 -0.0139 0.0137 1122 PRO 71 HA 0.0541 -0.0405 0.0174 1123 PRO 71 HB3 0.0726 -0.0350 -0.0061 1124 PRO 71 HB2 0.0553 -0.0109 -0.0242 1125 PRO 71 HG3 0.0468 -0.0344 0.0153 1126 PRO 71 HG2 0.0401 -0.0116 -0.0101 1127 PRO 71 HD2 0.0069 0.0008 0.0017 1128 PRO 71 HD3 0.0083 -0.0201 0.0291 1129 GLY 72 N 0.0155 -0.0054 0.0028 1130 GLY 72 CA 0.0009 0.0210 0.0173 1131 GLY 72 C -0.0037 0.0152 -0.0141 1132 GLY 72 O -0.0050 0.0233 0.0016 1133 GLY 72 H 0.0044 0.0077 -0.0042 1134 GLY 72 HA3 0.0128 0.0176 0.0524 1135 GLY 72 HA2 -0.0197 0.0511 0.0196 1136 ALA 73 N -0.0037 0.0038 -0.0050 1137 ALA 73 CA -0.0064 0.0038 -0.0078 1138 ALA 73 C -0.0055 0.0066 -0.0101 1139 ALA 73 O -0.0032 0.0078 -0.0090 1140 ALA 73 CB -0.0083 0.0012 -0.0068 1141 ALA 73 H -0.0032 0.0025 -0.0028 1142 ALA 73 HA -0.0078 0.0035 -0.0090 1143 ALA 73 HB1 -0.0102 0.0011 -0.0089 1144 ALA 73 HB2 -0.0091 -0.0009 -0.0052 1145 ALA 73 HB3 -0.0068 0.0014 -0.0055 1146 VAL 74 N -0.0044 0.0017 -0.0155 1147 VAL 74 CA -0.0032 0.0043 -0.0189 1148 VAL 74 C -0.0029 0.0044 -0.0230 1149 VAL 74 O -0.0016 0.0075 -0.0253 1150 VAL 74 CB -0.0036 0.0031 -0.0201 1151 VAL 74 CG1 -0.0025 0.0053 -0.0239 1152 VAL 74 CG2 -0.0036 0.0038 -0.0160 1153 VAL 74 H -0.0054 -0.0013 -0.0162 1154 VAL 74 HA -0.0022 0.0074 -0.0176 1155 VAL 74 HB -0.0046 -0.0002 -0.0209 1156 VAL 74 HG11 -0.0028 0.0043 -0.0246 1157 VAL 74 HG12 -0.0026 0.0046 -0.0267 1158 VAL 74 HG13 -0.0014 0.0086 -0.0232 1159 VAL 74 HG21 -0.0038 0.0030 -0.0167 1160 VAL 74 HG22 -0.0025 0.0070 -0.0150 1161 VAL 74 HG23 -0.0044 0.0019 -0.0134 1162 ASN 75 N -0.0120 -0.0023 -0.0211 1163 ASN 75 CA -0.0108 -0.0016 -0.0174 1164 ASN 75 C -0.0061 -0.0036 -0.0238 1165 ASN 75 O 0.0006 -0.0038 -0.0214 1166 ASN 75 CB -0.0059 -0.0000 -0.0082 1167 ASN 75 CG -0.0075 0.0013 -0.0031 1168 ASN 75 OD1 -0.0131 0.0013 -0.0059 1169 ASN 75 ND2 -0.0031 0.0026 0.0047 1170 ASN 75 H -0.0185 -0.0016 -0.0209 1171 ASN 75 HA -0.0177 -0.0006 -0.0164 1172 ASN 75 HB3 0.0015 -0.0010 -0.0091 1173 ASN 75 HB2 -0.0082 0.0011 -0.0043 1174 ASN 75 HD22 -0.0041 0.0035 0.0083 1175 ASN 75 HD21 0.0014 0.0027 0.0071 1176 ALA 76 N -0.0061 -0.0029 -0.0285 1177 ALA 76 CA -0.0076 -0.0010 -0.0285 1178 ALA 76 C -0.0097 -0.0015 -0.0293 1179 ALA 76 O -0.0114 -0.0003 -0.0296 1180 ALA 76 CB -0.0065 0.0008 -0.0275 1181 ALA 76 H -0.0046 -0.0031 -0.0280 1182 ALA 76 HA -0.0081 -0.0003 -0.0284 1183 ALA 76 HB1 -0.0076 0.0023 -0.0275 1184 ALA 76 HB2 -0.0051 0.0012 -0.0269 1185 ALA 76 HB3 -0.0059 0.0002 -0.0275 1186 CYS 77 N -0.0114 -0.0054 -0.0167 1187 CYS 77 CA -0.0124 -0.0055 -0.0162 1188 CYS 77 C -0.0127 -0.0065 -0.0158 1189 CYS 77 O -0.0134 -0.0066 -0.0154 1190 CYS 77 CB -0.0127 -0.0052 -0.0161 1191 CYS 77 SG -0.0127 -0.0039 -0.0165 1192 CYS 77 H -0.0111 -0.0055 -0.0169 1193 CYS 77 HA -0.0127 -0.0050 -0.0162 1194 CYS 77 HB3 -0.0134 -0.0054 -0.0158 1195 CYS 77 HB2 -0.0123 -0.0056 -0.0163 1196 HIS 78 N -0.0009 -0.0051 -0.0141 1197 HIS 78 CA 0.0080 0.0032 -0.0057 1198 HIS 78 C 0.0088 0.0131 0.0019 1199 HIS 78 O 0.0197 0.0165 0.0071 1200 HIS 78 CB 0.0220 -0.0027 -0.0070 1201 HIS 78 CG 0.0207 -0.0110 -0.0136 1202 HIS 78 ND1 0.0204 -0.0226 -0.0225 1203 HIS 78 CD2 0.0193 -0.0091 -0.0125 1204 HIS 78 CE1 0.0190 -0.0277 -0.0266 1205 HIS 78 NE2 0.0184 -0.0197 -0.0207 1206 HIS 78 H -0.0087 -0.0073 -0.0176 1207 HIS 78 HA 0.0027 0.0070 -0.0041 1208 HIS 78 HB3 0.0285 0.0038 -0.0006 1209 HIS 78 HB2 0.0275 -0.0073 -0.0092 1210 HIS 78 HD1 0.0213 -0.0260 -0.0248 1211 HIS 78 HD2 0.0191 -0.0005 -0.0060 1212 HIS 78 HE1 0.0185 -0.0369 -0.0337 1213 LEU 79 N -0.0165 0.0040 0.0064 1214 LEU 79 CA -0.0167 0.0044 0.0068 1215 LEU 79 C -0.0206 0.0058 0.0103 1216 LEU 79 O -0.0240 0.0041 0.0116 1217 LEU 79 CB -0.0177 -0.0003 0.0046 1218 LEU 79 CG -0.0149 -0.0020 0.0016 1219 LEU 79 CD1 -0.0170 -0.0062 0.0004 1220 LEU 79 CD2 -0.0116 0.0009 0.0011 1221 LEU 79 H -0.0192 0.0030 0.0076 1222 LEU 79 HA -0.0139 0.0066 0.0062 1223 LEU 79 HB3 -0.0206 -0.0010 0.0061 1224 LEU 79 HB2 -0.0191 -0.0025 0.0042 1225 LEU 79 HG -0.0132 -0.0029 -0.0001 1226 LEU 79 HD11 -0.0146 -0.0073 -0.0018 1227 LEU 79 HD12 -0.0186 -0.0086 0.0000 1228 LEU 79 HD13 -0.0192 -0.0058 0.0022 1229 LEU 79 HD21 -0.0098 -0.0010 -0.0013 1230 LEU 79 HD22 -0.0130 0.0023 0.0029 1231 LEU 79 HD23 -0.0096 0.0034 0.0013 1232 SER 80 N -0.0222 0.0179 0.0149 1233 SER 80 CA -0.0285 0.0196 0.0199 1234 SER 80 C -0.0324 0.0117 0.0189 1235 SER 80 O -0.0285 0.0074 0.0143 1236 SER 80 CB -0.0254 0.0266 0.0209 1237 SER 80 OG -0.0311 0.0275 0.0252 1238 SER 80 H -0.0168 0.0207 0.0125 1239 SER 80 HA -0.0326 0.0216 0.0235 1240 SER 80 HB3 -0.0207 0.0250 0.0171 1241 SER 80 HB2 -0.0232 0.0325 0.0221 1242 SER 80 HG -0.0351 0.0294 0.0287 1243 CYS 81 N -0.0184 0.0061 0.0124 1244 CYS 81 CA -0.0153 0.0054 0.0135 1245 CYS 81 C -0.0154 0.0023 0.0108 1246 CYS 81 O -0.0141 0.0019 0.0112 1247 CYS 81 CB -0.0109 0.0048 0.0154 1248 CYS 81 SG -0.0103 0.0086 0.0190 1249 CYS 81 H -0.0176 0.0060 0.0128 1250 CYS 81 HA -0.0161 0.0078 0.0151 1251 CYS 81 HB3 -0.0087 0.0041 0.0160 1252 CYS 81 HB2 -0.0101 0.0024 0.0138 1253 SER 82 N -0.0225 0.0065 0.0139 1254 SER 82 CA -0.0175 0.0034 0.0058 1255 SER 82 C -0.0143 0.0012 0.0011 1256 SER 82 O -0.0089 -0.0040 -0.0031 1257 SER 82 CB -0.0196 0.0085 -0.0007 1258 SER 82 OG -0.0232 0.0148 -0.0049 1259 SER 82 H -0.0267 0.0117 0.0143 1260 SER 82 HA -0.0141 -0.0017 0.0080 1261 SER 82 HB3 -0.0220 0.0102 0.0030 1262 SER 82 HB2 -0.0156 0.0055 -0.0059 1263 SER 82 HG -0.0271 0.0181 -0.0006 1264 ALA 83 N -0.0180 0.0014 0.0011 1265 ALA 83 CA -0.0126 -0.0018 -0.0010 1266 ALA 83 C -0.0083 -0.0097 0.0026 1267 ALA 83 O -0.0026 -0.0128 0.0002 1268 ALA 83 CB -0.0160 -0.0001 0.0005 1269 ALA 83 H -0.0232 0.0039 0.0035 1270 ALA 83 HA -0.0090 0.0003 -0.0065 1271 ALA 83 HB1 -0.0119 -0.0025 -0.0010 1272 ALA 83 HB2 -0.0187 0.0055 -0.0023 1273 ALA 83 HB3 -0.0197 -0.0020 0.0060 1274 LEU 84 N -0.0034 -0.0077 0.0038 1275 LEU 84 CA -0.0026 -0.0094 0.0048 1276 LEU 84 C -0.0015 -0.0098 0.0043 1277 LEU 84 O -0.0009 -0.0112 0.0051 1278 LEU 84 CB -0.0040 -0.0099 0.0066 1279 LEU 84 CG -0.0052 -0.0096 0.0072 1280 LEU 84 CD1 -0.0065 -0.0100 0.0089 1281 LEU 84 CD2 -0.0043 -0.0103 0.0071 1282 LEU 84 H -0.0045 -0.0071 0.0041 1283 LEU 84 HA -0.0018 -0.0100 0.0047 1284 LEU 84 HB3 -0.0034 -0.0112 0.0073 1285 LEU 84 HB2 -0.0048 -0.0094 0.0067 1286 LEU 84 HG -0.0058 -0.0083 0.0065 1287 LEU 84 HD11 -0.0073 -0.0098 0.0093 1288 LEU 84 HD12 -0.0073 -0.0094 0.0089 1289 LEU 84 HD13 -0.0060 -0.0113 0.0097 1290 LEU 84 HD21 -0.0052 -0.0100 0.0076 1291 LEU 84 HD22 -0.0035 -0.0115 0.0078 1292 LEU 84 HD23 -0.0034 -0.0098 0.0059 1293 HIS 85 N 0.0034 -0.0046 0.0042 1294 HIS 85 CA 0.0050 -0.0060 0.0032 1295 HIS 85 C 0.0066 -0.0060 0.0003 1296 HIS 85 O 0.0079 -0.0068 -0.0009 1297 HIS 85 CB 0.0040 -0.0049 0.0035 1298 HIS 85 CG 0.0025 -0.0050 0.0064 1299 HIS 85 ND1 0.0014 -0.0039 0.0069 1300 HIS 85 CD2 0.0020 -0.0060 0.0089 1301 HIS 85 CE1 0.0002 -0.0043 0.0096 1302 HIS 85 NE2 0.0005 -0.0056 0.0109 1303 HIS 85 H 0.0024 -0.0028 0.0033 1304 HIS 85 HA 0.0057 -0.0078 0.0046 1305 HIS 85 HB2 0.0031 -0.0030 0.0024 1306 HIS 85 HB3 0.0052 -0.0059 0.0028 1307 HIS 85 HD2 0.0027 -0.0070 0.0090 1308 HIS 85 HE1 -0.0008 -0.0036 0.0105 1309 HIS 85 HE2 -0.0000 -0.0062 0.0129 1310 GLN 86 N 0.0144 -0.0126 -0.0079 1311 GLN 86 CA 0.0207 -0.0115 -0.0127 1312 GLN 86 C 0.0279 -0.0168 -0.0108 1313 GLN 86 O 0.0278 -0.0217 -0.0053 1314 GLN 86 CB 0.0188 -0.0101 -0.0132 1315 GLN 86 CG 0.0124 -0.0043 -0.0160 1316 GLN 86 CD 0.0109 -0.0036 -0.0160 1317 GLN 86 OE1 0.0150 -0.0012 -0.0209 1318 GLN 86 NE2 0.0065 -0.0056 -0.0112 1319 GLN 86 H 0.0105 -0.0133 -0.0049 1320 GLN 86 HA 0.0216 -0.0078 -0.0172 1321 GLN 86 HB3 0.0239 -0.0101 -0.0160 1322 GLN 86 HB2 0.0175 -0.0136 -0.0086 1323 GLN 86 HG3 0.0073 -0.0043 -0.0131 1324 GLN 86 HG2 0.0140 -0.0008 -0.0208 1325 GLN 86 HE22 0.0055 -0.0051 -0.0112 1326 GLN 86 HE21 0.0040 -0.0077 -0.0074 1327 ASP 87 N 0.0286 -0.0149 -0.0045 1328 ASP 87 CA 0.0280 -0.0151 -0.0050 1329 ASP 87 C 0.0318 -0.0193 -0.0066 1330 ASP 87 O 0.0306 -0.0212 -0.0089 1331 ASP 87 CB 0.0287 -0.0111 -0.0010 1332 ASP 87 CG 0.0243 -0.0068 0.0002 1333 ASP 87 OD1 0.0200 -0.0067 -0.0022 1334 ASP 87 OD2 0.0250 -0.0035 0.0036 1335 ASP 87 H 0.0302 -0.0127 -0.0016 1336 ASP 87 HA 0.0241 -0.0150 -0.0073 1337 ASP 87 HB3 0.0297 -0.0119 -0.0011 1338 ASP 87 HB2 0.0321 -0.0106 0.0014 1339 ASN 88 N 0.0357 -0.0217 -0.0089 1340 ASN 88 CA 0.0364 -0.0246 -0.0070 1341 ASN 88 C 0.0282 -0.0274 0.0007 1342 ASN 88 O 0.0205 -0.0226 0.0019 1343 ASN 88 CB 0.0356 -0.0169 -0.0129 1344 ASN 88 CG 0.0375 -0.0197 -0.0118 1345 ASN 88 OD1 0.0324 -0.0221 -0.0064 1346 ASN 88 ND2 0.0453 -0.0195 -0.0172 1347 ASN 88 H 0.0330 -0.0154 -0.0123 1348 ASN 88 HA 0.0428 -0.0298 -0.0070 1349 ASN 88 HB3 0.0288 -0.0122 -0.0122 1350 ASN 88 HB2 0.0406 -0.0142 -0.0185 1351 ASN 88 HD22 0.0471 -0.0212 -0.0169 1352 ASN 88 HD21 0.0495 -0.0176 -0.0215 1353 ILE 89 N 0.0136 -0.0196 0.0055 1354 ILE 89 CA 0.0159 -0.0186 0.0028 1355 ILE 89 C 0.0156 -0.0201 0.0033 1356 ILE 89 O 0.0172 -0.0189 0.0013 1357 ILE 89 CB 0.0164 -0.0136 0.0016 1358 ILE 89 CG1 0.0138 -0.0107 0.0043 1359 ILE 89 CG2 0.0172 -0.0123 0.0005 1360 ILE 89 CD1 0.0143 -0.0058 0.0031 1361 ILE 89 H 0.0117 -0.0177 0.0075 1362 ILE 89 HA 0.0179 -0.0203 0.0007 1363 ILE 89 HB 0.0183 -0.0131 -0.0006 1364 ILE 89 HG13 0.0132 -0.0119 0.0050 1365 ILE 89 HG12 0.0119 -0.0110 0.0065 1366 ILE 89 HG21 0.0176 -0.0088 -0.0003 1367 ILE 89 HG22 0.0192 -0.0143 -0.0015 1368 ILE 89 HG23 0.0155 -0.0130 0.0026 1369 ILE 89 HD11 0.0124 -0.0039 0.0051 1370 ILE 89 HD12 0.0162 -0.0054 0.0009 1371 ILE 89 HD13 0.0148 -0.0045 0.0024 1372 ALA 90 N 0.0159 -0.0188 0.0096 1373 ALA 90 CA 0.0108 -0.0216 0.0134 1374 ALA 90 C 0.0115 -0.0254 0.0088 1375 ALA 90 O 0.0105 -0.0242 0.0112 1376 ALA 90 CB 0.0046 -0.0267 0.0164 1377 ALA 90 H 0.0150 -0.0203 0.0093 1378 ALA 90 HA 0.0108 -0.0170 0.0179 1379 ALA 90 HB1 0.0009 -0.0286 0.0192 1380 ALA 90 HB2 0.0039 -0.0238 0.0201 1381 ALA 90 HB3 0.0045 -0.0312 0.0121 1382 ASP 91 N 0.0044 -0.0186 0.0023 1383 ASP 91 CA 0.0004 -0.0189 0.0021 1384 ASP 91 C 0.0003 -0.0199 0.0041 1385 ASP 91 O -0.0026 -0.0211 0.0059 1386 ASP 91 CB -0.0012 -0.0171 -0.0017 1387 ASP 91 CG -0.0023 -0.0163 -0.0036 1388 ASP 91 OD1 -0.0034 -0.0173 -0.0018 1389 ASP 91 OD2 -0.0023 -0.0147 -0.0068 1390 ASP 91 H 0.0059 -0.0173 0.0000 1391 ASP 91 HA -0.0016 -0.0197 0.0034 1392 ASP 91 HB3 -0.0038 -0.0173 -0.0018 1393 ASP 91 HB2 0.0010 -0.0161 -0.0033 1394 ALA 92 N 0.0032 -0.0162 0.0039 1395 ALA 92 CA 0.0045 -0.0151 0.0039 1396 ALA 92 C 0.0041 -0.0139 0.0052 1397 ALA 92 O 0.0046 -0.0134 0.0052 1398 ALA 92 CB 0.0058 -0.0143 0.0035 1399 ALA 92 H 0.0032 -0.0164 0.0038 1400 ALA 92 HA 0.0050 -0.0156 0.0031 1401 ALA 92 HB1 0.0067 -0.0135 0.0035 1402 ALA 92 HB2 0.0061 -0.0151 0.0025 1403 ALA 92 HB3 0.0054 -0.0138 0.0043 1404 VAL 93 N 0.0083 -0.0068 0.0057 1405 VAL 93 CA 0.0068 -0.0037 0.0081 1406 VAL 93 C 0.0053 -0.0043 0.0085 1407 VAL 93 O 0.0060 -0.0019 0.0095 1408 VAL 93 CB 0.0040 -0.0029 0.0097 1409 VAL 93 CG1 0.0018 -0.0004 0.0121 1410 VAL 93 CG2 0.0061 -0.0013 0.0097 1411 VAL 93 H 0.0071 -0.0082 0.0055 1412 VAL 93 HA 0.0091 -0.0015 0.0083 1413 VAL 93 HB 0.0022 -0.0053 0.0092 1414 VAL 93 HG11 -0.0001 0.0001 0.0133 1415 VAL 93 HG12 0.0004 -0.0016 0.0121 1416 VAL 93 HG13 0.0036 0.0020 0.0127 1417 VAL 93 HG21 0.0041 -0.0007 0.0109 1418 VAL 93 HG22 0.0080 0.0011 0.0102 1419 VAL 93 HG23 0.0076 -0.0032 0.0081 1420 ALA 94 N -0.0018 -0.0038 0.0057 1421 ALA 94 CA -0.0030 -0.0060 0.0058 1422 ALA 94 C 0.0001 -0.0059 0.0029 1423 ALA 94 O 0.0001 -0.0054 0.0032 1424 ALA 94 CB -0.0052 -0.0106 0.0057 1425 ALA 94 H -0.0025 -0.0055 0.0055 1426 ALA 94 HA -0.0046 -0.0042 0.0080 1427 ALA 94 HB1 -0.0061 -0.0122 0.0058 1428 ALA 94 HB2 -0.0075 -0.0105 0.0078 1429 ALA 94 HB3 -0.0037 -0.0123 0.0035 1430 CYS 95 N -0.0066 -0.0074 -0.0021 1431 CYS 95 CA -0.0055 -0.0074 -0.0032 1432 CYS 95 C -0.0047 -0.0057 -0.0030 1433 CYS 95 O -0.0043 -0.0055 -0.0033 1434 CYS 95 CB -0.0047 -0.0082 -0.0045 1435 CYS 95 SG -0.0033 -0.0084 -0.0060 1436 CYS 95 H -0.0065 -0.0075 -0.0022 1437 CYS 95 HA -0.0059 -0.0081 -0.0032 1438 CYS 95 HB3 -0.0043 -0.0075 -0.0045 1439 CYS 95 HB2 -0.0053 -0.0093 -0.0045 1440 ALA 96 N 0.0007 -0.0048 -0.0007 1441 ALA 96 CA 0.0014 -0.0034 -0.0004 1442 ALA 96 C 0.0006 -0.0024 0.0002 1443 ALA 96 O 0.0013 -0.0013 0.0004 1444 ALA 96 CB 0.0013 -0.0031 -0.0003 1445 ALA 96 H 0.0003 -0.0054 -0.0008 1446 ALA 96 HA 0.0025 -0.0034 -0.0006 1447 ALA 96 HB1 0.0018 -0.0021 0.0000 1448 ALA 96 HB2 0.0019 -0.0039 -0.0006 1449 ALA 96 HB3 0.0002 -0.0032 -0.0000 1450 LYS 97 N 0.0035 0.0044 -0.0017 1451 LYS 97 CA 0.0033 0.0029 -0.0006 1452 LYS 97 C 0.0034 0.0005 -0.0026 1453 LYS 97 O 0.0035 0.0001 -0.0032 1454 LYS 97 CB 0.0028 0.0018 0.0025 1455 LYS 97 CG 0.0025 0.0042 0.0047 1456 LYS 97 CD 0.0020 0.0030 0.0076 1457 LYS 97 CE 0.0018 0.0053 0.0100 1458 LYS 97 NZ 0.0013 0.0041 0.0128 1459 LYS 97 H 0.0033 0.0044 -0.0006 1460 LYS 97 HA 0.0033 0.0045 -0.0005 1461 LYS 97 HB3 0.0026 0.0002 0.0031 1462 LYS 97 HB2 0.0027 0.0006 0.0025 1463 LYS 97 HG3 0.0027 0.0058 0.0041 1464 LYS 97 HG2 0.0026 0.0053 0.0049 1465 LYS 97 HD3 0.0019 0.0012 0.0082 1466 LYS 97 HD2 0.0020 0.0020 0.0075 1467 LYS 97 HE3 0.0020 0.0071 0.0094 1468 LYS 97 HE2 0.0018 0.0061 0.0103 1469 LYS 97 HZ1 0.0012 0.0057 0.0140 1470 LYS 97 HZ2 0.0013 0.0026 0.0124 1471 LYS 97 HZ3 0.0012 0.0031 0.0138 1472 ARG 98 N -0.0046 0.0077 -0.0153 1473 ARG 98 CA -0.0081 0.0146 -0.0089 1474 ARG 98 C -0.0047 0.0125 0.0023 1475 ARG 98 O -0.0072 0.0180 0.0093 1476 ARG 98 CB -0.0105 0.0171 -0.0131 1477 ARG 98 CG -0.0133 0.0232 -0.0059 1478 ARG 98 CD -0.0189 0.0320 -0.0037 1479 ARG 98 NE -0.0210 0.0373 0.0042 1480 ARG 98 CZ -0.0196 0.0379 0.0143 1481 ARG 98 NH1 -0.0155 0.0329 0.0187 1482 ARG 98 NH2 -0.0225 0.0436 0.0200 1483 ARG 98 H -0.0037 0.0049 -0.0212 1484 ARG 98 HA -0.0119 0.0202 -0.0089 1485 ARG 98 HB3 -0.0070 0.0113 -0.0153 1486 ARG 98 HB2 -0.0138 0.0201 -0.0203 1487 ARG 98 HG3 -0.0101 0.0203 0.0013 1488 ARG 98 HG2 -0.0143 0.0238 -0.0090 1489 ARG 98 HD3 -0.0223 0.0352 -0.0108 1490 ARG 98 HD2 -0.0179 0.0313 -0.0012 1491 ARG 98 HE -0.0239 0.0408 0.0013 1492 ARG 98 HH12 -0.0146 0.0336 0.0264 1493 ARG 98 HH11 -0.0133 0.0285 0.0143 1494 ARG 98 HH22 -0.0216 0.0443 0.0277 1495 ARG 98 HH21 -0.0255 0.0473 0.0166 1496 VAL 99 N -0.0052 0.0024 -0.0006 1497 VAL 99 CA -0.0037 0.0020 0.0021 1498 VAL 99 C -0.0037 0.0030 0.0037 1499 VAL 99 O -0.0037 0.0041 0.0061 1500 VAL 99 CB -0.0017 -0.0005 0.0020 1501 VAL 99 CG1 -0.0001 -0.0010 0.0048 1502 VAL 99 CG2 -0.0016 -0.0015 0.0006 1503 VAL 99 H -0.0048 0.0011 -0.0023 1504 VAL 99 HA -0.0040 0.0030 0.0031 1505 VAL 99 HB -0.0015 -0.0015 0.0008 1506 VAL 99 HG11 0.0012 -0.0029 0.0046 1507 VAL 99 HG12 -0.0002 -0.0005 0.0057 1508 VAL 99 HG13 -0.0004 -0.0001 0.0061 1509 VAL 99 HG21 -0.0002 -0.0033 0.0005 1510 VAL 99 HG22 -0.0019 -0.0006 0.0016 1511 VAL 99 HG23 -0.0026 -0.0013 -0.0015 1512 VAL 100 N -0.0048 0.0007 -0.0007 1513 VAL 100 CA -0.0045 -0.0018 -0.0004 1514 VAL 100 C -0.0042 -0.0023 -0.0005 1515 VAL 100 O -0.0041 -0.0044 -0.0001 1516 VAL 100 CB -0.0028 -0.0031 -0.0009 1517 VAL 100 CG1 -0.0033 -0.0028 -0.0007 1518 VAL 100 CG2 -0.0004 -0.0024 -0.0019 1519 VAL 100 H -0.0035 0.0015 -0.0014 1520 VAL 100 HA -0.0060 -0.0025 0.0003 1521 VAL 100 HB -0.0028 -0.0049 -0.0005 1522 VAL 100 HG11 -0.0020 -0.0038 -0.0011 1523 VAL 100 HG12 -0.0049 -0.0035 0.0000 1524 VAL 100 HG13 -0.0034 -0.0010 -0.0010 1525 VAL 100 HG21 0.0007 -0.0034 -0.0022 1526 VAL 100 HG22 -0.0003 -0.0005 -0.0023 1527 VAL 100 HG23 -0.0000 -0.0028 -0.0020 1528 ARG 101 N -0.0072 0.0039 0.0039 1529 ARG 101 CA -0.0078 0.0044 0.0041 1530 ARG 101 C -0.0135 0.0038 0.0079 1531 ARG 101 O -0.0145 0.0025 0.0089 1532 ARG 101 CB -0.0058 0.0102 0.0012 1533 ARG 101 CG 0.0003 0.0097 -0.0026 1534 ARG 101 CD 0.0024 0.0144 -0.0053 1535 ARG 101 NE 0.0005 0.0208 -0.0060 1536 ARG 101 CZ 0.0032 0.0240 -0.0086 1537 ARG 101 NH1 0.0075 0.0215 -0.0106 1538 ARG 101 NH2 0.0014 0.0300 -0.0092 1539 ARG 101 H -0.0072 0.0079 0.0027 1540 ARG 101 HA -0.0051 0.0005 0.0035 1541 ARG 101 HB3 -0.0075 0.0110 0.0020 1542 ARG 101 HB2 -0.0075 0.0142 0.0011 1543 ARG 101 HG3 0.0019 0.0100 -0.0037 1544 ARG 101 HG2 0.0020 0.0051 -0.0023 1545 ARG 101 HD3 0.0068 0.0135 -0.0078 1546 ARG 101 HD2 0.0011 0.0138 -0.0043 1547 ARG 101 HE -0.0031 0.0226 -0.0042 1548 ARG 101 HH12 0.0095 0.0241 -0.0126 1549 ARG 101 HH11 0.0089 0.0169 -0.0101 1550 ARG 101 HH22 0.0035 0.0324 -0.0112 1551 ARG 101 HH21 -0.0020 0.0320 -0.0076 1552 ASP 102 N -0.0094 0.0100 -0.0000 1553 ASP 102 CA -0.0119 0.0104 0.0051 1554 ASP 102 C -0.0138 0.0038 0.0032 1555 ASP 102 O -0.0142 -0.0016 -0.0004 1556 ASP 102 CB -0.0153 0.0110 0.0123 1557 ASP 102 CG -0.0136 0.0187 0.0155 1558 ASP 102 OD1 -0.0097 0.0233 0.0118 1559 ASP 102 OD2 -0.0163 0.0201 0.0218 1560 ASP 102 H -0.0107 0.0086 0.0013 1561 ASP 102 HA -0.0097 0.0151 0.0049 1562 ASP 102 HB3 -0.0180 0.0088 0.0156 1563 ASP 102 HB2 -0.0165 0.0079 0.0120 1564 PRO 103 N -0.0024 0.0085 -0.0166 1565 PRO 103 CA -0.0031 0.0098 -0.0186 1566 PRO 103 C -0.0050 0.0088 -0.0185 1567 PRO 103 O -0.0067 0.0095 -0.0203 1568 PRO 103 CB -0.0002 0.0111 -0.0187 1569 PRO 103 CG 0.0017 0.0112 -0.0177 1570 PRO 103 CD 0.0005 0.0092 -0.0159 1571 PRO 103 HA -0.0039 0.0107 -0.0202 1572 PRO 103 HB3 -0.0002 0.0126 -0.0204 1573 PRO 103 HB2 0.0003 0.0105 -0.0176 1574 PRO 103 HG3 0.0017 0.0123 -0.0190 1575 PRO 103 HG2 0.0037 0.0115 -0.0169 1576 PRO 103 HD2 0.0014 0.0082 -0.0142 1577 PRO 103 HD3 0.0009 0.0093 -0.0159 1578 GLN 104 N 0.0103 0.0192 -0.0130 1579 GLN 104 CA 0.0073 0.0143 -0.0118 1580 GLN 104 C 0.0022 0.0108 -0.0155 1581 GLN 104 O -0.0009 0.0074 -0.0162 1582 GLN 104 CB 0.0086 0.0105 -0.0053 1583 GLN 104 CG 0.0115 0.0106 -0.0008 1584 GLN 104 CD 0.0116 0.0058 0.0050 1585 GLN 104 OE1 0.0114 0.0034 0.0076 1586 GLN 104 NE2 0.0116 0.0043 0.0068 1587 GLN 104 H 0.0127 0.0194 -0.0097 1588 GLN 104 HA 0.0078 0.0156 -0.0125 1589 GLN 104 HB3 0.0054 0.0063 -0.0052 1590 GLN 104 HB2 0.0102 0.0114 -0.0039 1591 GLN 104 HG3 0.0151 0.0145 -0.0000 1592 GLN 104 HG2 0.0103 0.0105 -0.0026 1593 GLN 104 HE22 0.0117 0.0012 0.0106 1594 GLN 104 HE21 0.0116 0.0063 0.0043 1595 GLY 105 N -0.0068 -0.0027 -0.0081 1596 GLY 105 CA -0.0058 -0.0036 -0.0096 1597 GLY 105 C -0.0066 -0.0042 -0.0088 1598 GLY 105 O -0.0074 -0.0029 -0.0074 1599 GLY 105 H -0.0065 -0.0010 -0.0079 1600 GLY 105 HA3 -0.0054 -0.0053 -0.0105 1601 GLY 105 HA2 -0.0046 -0.0022 -0.0106 1602 ILE 106 N -0.0005 -0.0052 -0.0083 1603 ILE 106 CA -0.0019 -0.0044 -0.0074 1604 ILE 106 C -0.0038 -0.0044 -0.0075 1605 ILE 106 O -0.0050 -0.0037 -0.0067 1606 ILE 106 CB -0.0020 -0.0047 -0.0077 1607 ILE 106 CG1 -0.0031 -0.0036 -0.0066 1608 ILE 106 CG2 -0.0027 -0.0060 -0.0092 1609 ILE 106 CD1 -0.0025 -0.0035 -0.0065 1610 ILE 106 H -0.0000 -0.0060 -0.0092 1611 ILE 106 HA -0.0014 -0.0034 -0.0064 1612 ILE 106 HB -0.0005 -0.0046 -0.0077 1613 ILE 106 HG13 -0.0029 -0.0027 -0.0056 1614 ILE 106 HG12 -0.0046 -0.0038 -0.0068 1615 ILE 106 HG21 -0.0028 -0.0061 -0.0093 1616 ILE 106 HG22 -0.0018 -0.0067 -0.0099 1617 ILE 106 HG23 -0.0041 -0.0061 -0.0093 1618 ILE 106 HD11 -0.0033 -0.0028 -0.0057 1619 ILE 106 HD12 -0.0009 -0.0033 -0.0062 1620 ILE 106 HD13 -0.0027 -0.0044 -0.0075 1621 ARG 107 N 0.0021 -0.0007 -0.0099 1622 ARG 107 CA -0.0016 -0.0021 -0.0058 1623 ARG 107 C -0.0016 0.0015 -0.0001 1624 ARG 107 O -0.0050 0.0004 0.0039 1625 ARG 107 CB -0.0014 -0.0030 -0.0076 1626 ARG 107 CG -0.0024 -0.0074 -0.0127 1627 ARG 107 CD -0.0020 -0.0082 -0.0147 1628 ARG 107 NE -0.0017 -0.0116 -0.0205 1629 ARG 107 CZ 0.0011 -0.0110 -0.0243 1630 ARG 107 NH1 0.0051 -0.0066 -0.0244 1631 ARG 107 NH2 -0.0001 -0.0146 -0.0280 1632 ARG 107 H 0.0046 0.0001 -0.0129 1633 ARG 107 HA -0.0047 -0.0054 -0.0057 1634 ARG 107 HB3 -0.0038 -0.0034 -0.0042 1635 ARG 107 HB2 0.0019 0.0000 -0.0084 1636 ARG 107 HG3 -0.0002 -0.0071 -0.0160 1637 ARG 107 HG2 -0.0058 -0.0105 -0.0118 1638 ARG 107 HD3 -0.0048 -0.0096 -0.0121 1639 ARG 107 HD2 0.0010 -0.0048 -0.0147 1640 ARG 107 HE -0.0036 -0.0144 -0.0216 1641 ARG 107 HH12 0.0072 -0.0061 -0.0272 1642 ARG 107 HH11 0.0060 -0.0038 -0.0216 1643 ARG 107 HH22 0.0020 -0.0141 -0.0308 1644 ARG 107 HH21 -0.0031 -0.0179 -0.0280 1645 ALA 108 N -0.0019 0.0003 0.0011 1646 ALA 108 CA -0.0003 -0.0002 0.0046 1647 ALA 108 C -0.0020 -0.0032 0.0070 1648 ALA 108 O -0.0008 -0.0039 0.0101 1649 ALA 108 CB 0.0007 0.0007 0.0046 1650 ALA 108 H -0.0022 0.0012 -0.0009 1651 ALA 108 HA 0.0017 0.0010 0.0057 1652 ALA 108 HB1 0.0018 0.0003 0.0072 1653 ALA 108 HB2 0.0021 0.0029 0.0031 1654 ALA 108 HB3 -0.0013 -0.0005 0.0035 1655 TRP 109 N -0.0038 -0.0043 0.0004 1656 TRP 109 CA -0.0038 -0.0042 0.0004 1657 TRP 109 C -0.0042 -0.0049 0.0007 1658 TRP 109 O -0.0038 -0.0056 0.0006 1659 TRP 109 CB -0.0031 -0.0040 -0.0000 1660 TRP 109 CG -0.0027 -0.0033 -0.0003 1661 TRP 109 CD1 -0.0028 -0.0025 -0.0004 1662 TRP 109 CD2 -0.0021 -0.0031 -0.0006 1663 TRP 109 NE1 -0.0023 -0.0019 -0.0008 1664 TRP 109 CE2 -0.0019 -0.0023 -0.0009 1665 TRP 109 CE3 -0.0018 -0.0036 -0.0007 1666 TRP 109 CZ2 -0.0014 -0.0020 -0.0012 1667 TRP 109 CZ3 -0.0013 -0.0033 -0.0010 1668 TRP 109 CH2 -0.0010 -0.0025 -0.0012 1669 TRP 109 H -0.0033 -0.0046 0.0002 1670 TRP 109 HA -0.0042 -0.0036 0.0004 1671 TRP 109 HB3 -0.0031 -0.0041 0.0000 1672 TRP 109 HB2 -0.0027 -0.0046 -0.0001 1673 TRP 109 HD1 -0.0032 -0.0024 -0.0003 1674 TRP 109 HE1 -0.0023 -0.0014 -0.0009 1675 TRP 109 HE3 -0.0019 -0.0043 -0.0005 1676 TRP 109 HZ2 -0.0012 -0.0013 -0.0014 1677 TRP 109 HZ3 -0.0010 -0.0037 -0.0010 1678 TRP 109 HH2 -0.0006 -0.0023 -0.0015 1679 VAL 110 N -0.0092 -0.0050 0.0094 1680 VAL 110 CA -0.0051 -0.0058 0.0133 1681 VAL 110 C -0.0093 -0.0127 0.0099 1682 VAL 110 O -0.0088 -0.0104 0.0102 1683 VAL 110 CB 0.0031 -0.0085 0.0213 1684 VAL 110 CG1 0.0074 -0.0025 0.0249 1685 VAL 110 CG2 0.0040 -0.0199 0.0232 1686 VAL 110 H -0.0069 -0.0072 0.0117 1687 VAL 110 HA -0.0049 0.0020 0.0128 1688 VAL 110 HB 0.0057 -0.0058 0.0236 1689 VAL 110 HG11 0.0133 -0.0049 0.0306 1690 VAL 110 HG12 0.0075 0.0058 0.0242 1691 VAL 110 HG13 0.0048 -0.0039 0.0225 1692 VAL 110 HG21 0.0100 -0.0214 0.0290 1693 VAL 110 HG22 0.0009 -0.0235 0.0205 1694 VAL 110 HG23 0.0018 -0.0233 0.0214 1695 ALA 111 N -0.0054 -0.0057 0.0033 1696 ALA 111 CA -0.0054 -0.0054 0.0034 1697 ALA 111 C -0.0066 -0.0040 0.0042 1698 ALA 111 O -0.0062 -0.0031 0.0046 1699 ALA 111 CB -0.0061 -0.0069 0.0029 1700 ALA 111 H -0.0058 -0.0068 0.0029 1701 ALA 111 HA -0.0041 -0.0050 0.0033 1702 ALA 111 HB1 -0.0061 -0.0067 0.0030 1703 ALA 111 HB2 -0.0053 -0.0079 0.0023 1704 ALA 111 HB3 -0.0074 -0.0073 0.0030 1705 TRP 112 N -0.0087 -0.0005 -0.0007 1706 TRP 112 CA -0.0078 -0.0017 -0.0031 1707 TRP 112 C -0.0090 -0.0032 -0.0045 1708 TRP 112 O -0.0098 -0.0047 -0.0061 1709 TRP 112 CB -0.0050 -0.0007 -0.0039 1710 TRP 112 CG -0.0042 -0.0019 -0.0064 1711 TRP 112 CD1 -0.0037 -0.0023 -0.0073 1712 TRP 112 CD2 -0.0037 -0.0029 -0.0083 1713 TRP 112 NE1 -0.0030 -0.0034 -0.0096 1714 TRP 112 CE2 -0.0030 -0.0039 -0.0103 1715 TRP 112 CE3 -0.0038 -0.0031 -0.0085 1716 TRP 112 CZ2 -0.0024 -0.0050 -0.0125 1717 TRP 112 CZ3 -0.0032 -0.0043 -0.0107 1718 TRP 112 CH2 -0.0025 -0.0052 -0.0126 1719 TRP 112 H -0.0075 0.0007 0.0002 1720 TRP 112 HA -0.0084 -0.0022 -0.0034 1721 TRP 112 HB3 -0.0044 -0.0003 -0.0037 1722 TRP 112 HB2 -0.0043 0.0004 -0.0029 1723 TRP 112 HD1 -0.0040 -0.0016 -0.0061 1724 TRP 112 HE1 -0.0026 -0.0038 -0.0105 1725 TRP 112 HE3 -0.0043 -0.0024 -0.0070 1726 TRP 112 HZ2 -0.0018 -0.0057 -0.0140 1727 TRP 112 HZ3 -0.0033 -0.0044 -0.0109 1728 TRP 112 HH2 -0.0021 -0.0060 -0.0143 1729 ARG 113 N -0.0084 -0.0065 0.0047 1730 ARG 113 CA -0.0078 -0.0055 0.0044 1731 ARG 113 C -0.0087 -0.0071 0.0049 1732 ARG 113 O -0.0093 -0.0066 0.0038 1733 ARG 113 CB -0.0056 -0.0044 0.0057 1734 ARG 113 CG -0.0044 -0.0029 0.0055 1735 ARG 113 CD -0.0023 -0.0020 0.0069 1736 ARG 113 NE -0.0012 -0.0013 0.0074 1737 ARG 113 CZ 0.0006 -0.0009 0.0089 1738 ARG 113 NH1 0.0016 -0.0011 0.0100 1739 ARG 113 NH2 0.0014 -0.0003 0.0092 1740 ARG 113 H -0.0074 -0.0065 0.0057 1741 ARG 113 HA -0.0082 -0.0043 0.0028 1742 ARG 113 HB3 -0.0051 -0.0037 0.0054 1743 ARG 113 HB2 -0.0051 -0.0056 0.0072 1744 ARG 113 HG3 -0.0048 -0.0037 0.0058 1745 ARG 113 HG2 -0.0048 -0.0017 0.0040 1746 ARG 113 HD3 -0.0018 -0.0007 0.0062 1747 ARG 113 HD2 -0.0020 -0.0031 0.0082 1748 ARG 113 HE -0.0019 -0.0012 0.0065 1749 ARG 113 HH12 0.0030 -0.0007 0.0112 1750 ARG 113 HH11 0.0010 -0.0015 0.0098 1751 ARG 113 HH22 0.0028 -0.0000 0.0104 1752 ARG 113 HH21 0.0007 -0.0002 0.0084 1753 ASN 114 N -0.0026 0.0140 0.0111 1754 ASN 114 CA 0.0024 0.0123 0.0117 1755 ASN 114 C -0.0098 0.0126 0.0105 1756 ASN 114 O -0.0075 0.0185 0.0105 1757 ASN 114 CB 0.0107 -0.0025 0.0132 1758 ASN 114 CG 0.0234 -0.0050 0.0145 1759 ASN 114 OD1 0.0287 0.0037 0.0145 1760 ASN 114 ND2 0.0283 -0.0193 0.0156 1761 ASN 114 H -0.0025 0.0053 0.0116 1762 ASN 114 HA 0.0101 0.0213 0.0120 1763 ASN 114 HB3 0.0144 -0.0032 0.0135 1764 ASN 114 HB2 0.0029 -0.0116 0.0129 1765 ASN 114 HD22 0.0369 -0.0225 0.0166 1766 ASN 114 HD21 0.0232 -0.0267 0.0155 1767 ARG 115 N 0.0043 0.0244 0.0121 1768 ARG 115 CA 0.0019 0.0198 0.0081 1769 ARG 115 C -0.0039 0.0240 0.0047 1770 ARG 115 O -0.0056 0.0206 0.0018 1771 ARG 115 CB 0.0002 0.0130 0.0039 1772 ARG 115 CG 0.0055 0.0077 0.0066 1773 ARG 115 CD 0.0092 0.0014 0.0074 1774 ARG 115 NE 0.0142 -0.0039 0.0098 1775 ARG 115 CZ 0.0181 -0.0100 0.0108 1776 ARG 115 NH1 0.0169 -0.0115 0.0092 1777 ARG 115 NH2 0.0228 -0.0142 0.0134 1778 ARG 115 H 0.0019 0.0261 0.0106 1779 ARG 115 HA 0.0057 0.0173 0.0105 1780 ARG 115 HB3 -0.0019 0.0095 0.0007 1781 ARG 115 HB2 -0.0036 0.0154 0.0015 1782 ARG 115 HG3 0.0037 0.0050 0.0040 1783 ARG 115 HG2 0.0087 0.0112 0.0108 1784 ARG 115 HD3 0.0115 0.0041 0.0105 1785 ARG 115 HD2 0.0061 -0.0020 0.0033 1786 ARG 115 HE 0.0146 -0.0028 0.0105 1787 ARG 115 HH12 0.0197 -0.0161 0.0099 1788 ARG 115 HH11 0.0131 -0.0081 0.0072 1789 ARG 115 HH22 0.0258 -0.0188 0.0142 1790 ARG 115 HH21 0.0235 -0.0128 0.0146 1791 CYS 116 N 0.0028 0.0082 -0.0039 1792 CYS 116 CA 0.0019 0.0088 -0.0047 1793 CYS 116 C 0.0014 0.0100 -0.0030 1794 CYS 116 O 0.0013 0.0100 -0.0030 1795 CYS 116 CB 0.0004 0.0095 -0.0065 1796 CYS 116 SG 0.0008 0.0083 -0.0086 1797 CYS 116 H 0.0023 0.0090 -0.0032 1798 CYS 116 HA 0.0027 0.0078 -0.0053 1799 CYS 116 HB3 -0.0002 0.0099 -0.0071 1800 CYS 116 HB2 -0.0005 0.0107 -0.0058 1801 GLN 117 N 0.0080 0.0101 0.0031 1802 GLN 117 CA 0.0074 -0.0018 0.0028 1803 GLN 117 C 0.0066 -0.0009 0.0017 1804 GLN 117 O 0.0020 0.0061 -0.0041 1805 GLN 117 CB 0.0005 -0.0085 -0.0055 1806 GLN 117 CG -0.0008 -0.0210 -0.0067 1807 GLN 117 CD -0.0068 -0.0282 -0.0137 1808 GLN 117 OE1 -0.0062 -0.0400 -0.0126 1809 GLN 117 NE2 -0.0118 -0.0234 -0.0199 1810 GLN 117 H 0.0041 0.0124 -0.0017 1811 GLN 117 HA 0.0126 -0.0067 0.0091 1812 GLN 117 HB3 -0.0046 -0.0033 -0.0118 1813 GLN 117 HB2 0.0010 -0.0090 -0.0048 1814 GLN 117 HG3 0.0045 -0.0257 -0.0000 1815 GLN 117 HG2 -0.0026 -0.0204 -0.0088 1816 GLN 117 HE22 -0.0157 -0.0284 -0.0245 1817 GLN 117 HE21 -0.0121 -0.0143 -0.0205 1818 ASN 118 N 0.0159 -0.0104 -0.0025 1819 ASN 118 CA 0.0132 -0.0212 -0.0038 1820 ASN 118 C 0.0101 -0.0335 -0.0057 1821 ASN 118 O 0.0064 -0.0434 -0.0027 1822 ASN 118 CB 0.0100 -0.0217 0.0073 1823 ASN 118 CG 0.0129 -0.0101 0.0089 1824 ASN 118 OD1 0.0167 -0.0058 -0.0002 1825 ASN 118 ND2 0.0112 -0.0048 0.0207 1826 ASN 118 H 0.0196 -0.0036 -0.0087 1827 ASN 118 HA 0.0157 -0.0203 -0.0123 1828 ASN 118 HB3 0.0080 -0.0301 0.0059 1829 ASN 118 HB2 0.0073 -0.0227 0.0160 1830 ASN 118 HD22 0.0130 0.0029 0.0223 1831 ASN 118 HD21 0.0081 -0.0086 0.0280 1832 ARG 119 N 0.0156 0.0321 0.0176 1833 ARG 119 CA 0.0197 0.0219 0.0132 1834 ARG 119 C 0.0183 0.0216 0.0017 1835 ARG 119 O 0.0143 0.0290 -0.0034 1836 ARG 119 CB 0.0213 0.0178 0.0114 1837 ARG 119 CG 0.0236 0.0156 0.0214 1838 ARG 119 CD 0.0259 0.0099 0.0187 1839 ARG 119 NE 0.0265 0.0111 0.0280 1840 ARG 119 CZ 0.0306 0.0034 0.0322 1841 ARG 119 NH1 0.0345 -0.0056 0.0299 1842 ARG 119 NH2 0.0306 0.0054 0.0393 1843 ARG 119 H 0.0126 0.0372 0.0129 1844 ARG 119 HA 0.0225 0.0172 0.0185 1845 ARG 119 HB3 0.0236 0.0111 0.0060 1846 ARG 119 HB2 0.0183 0.0231 0.0068 1847 ARG 119 HG3 0.0211 0.0226 0.0259 1848 ARG 119 HG2 0.0263 0.0113 0.0266 1849 ARG 119 HD3 0.0293 0.0020 0.0172 1850 ARG 119 HD2 0.0236 0.0129 0.0116 1851 ARG 119 HE 0.0238 0.0181 0.0311 1852 ARG 119 HH12 0.0375 -0.0114 0.0332 1853 ARG 119 HH11 0.0344 -0.0070 0.0248 1854 ARG 119 HH22 0.0337 -0.0002 0.0427 1855 ARG 119 HH21 0.0277 0.0125 0.0412 1856 ASP 120 N -0.0378 -0.0226 -0.0777 1857 ASP 120 CA -0.0193 -0.0163 -0.0369 1858 ASP 120 C -0.0204 -0.0078 -0.0726 1859 ASP 120 O 0.0010 0.0225 -0.1114 1860 ASP 120 CB 0.0295 0.0242 -0.0182 1861 ASP 120 CG 0.0509 0.0309 0.0313 1862 ASP 120 OD1 0.0312 0.0102 0.0400 1863 ASP 120 OD2 0.0874 0.0583 0.0562 1864 ASP 120 H -0.0181 -0.0003 -0.0926 1865 ASP 120 HA -0.0363 -0.0418 -0.0008 1866 ASP 120 HB3 0.0465 0.0496 -0.0542 1867 ASP 120 HB2 0.0311 0.0222 -0.0051 1868 VAL 121 N 0.0003 0.0032 -0.0225 1869 VAL 121 CA 0.0010 0.0047 -0.0206 1870 VAL 121 C 0.0026 0.0053 -0.0188 1871 VAL 121 O 0.0035 0.0064 -0.0172 1872 VAL 121 CB 0.0019 0.0039 -0.0205 1873 VAL 121 CG1 0.0002 0.0038 -0.0221 1874 VAL 121 CG2 0.0040 0.0018 -0.0207 1875 VAL 121 H 0.0015 0.0016 -0.0229 1876 VAL 121 HA -0.0004 0.0062 -0.0206 1877 VAL 121 HB 0.0024 0.0052 -0.0191 1878 VAL 121 HG11 0.0009 0.0033 -0.0220 1879 VAL 121 HG12 -0.0012 0.0055 -0.0218 1880 VAL 121 HG13 -0.0005 0.0027 -0.0235 1881 VAL 121 HG21 0.0045 0.0014 -0.0206 1882 VAL 121 HG22 0.0036 0.0006 -0.0221 1883 VAL 121 HG23 0.0053 0.0020 -0.0195 1884 ARG 122 N 0.0263 0.0094 0.0007 1885 ARG 122 CA 0.0194 0.0057 -0.0141 1886 ARG 122 C 0.0216 -0.0099 -0.0210 1887 ARG 122 O 0.0155 -0.0130 -0.0339 1888 ARG 122 CB 0.0175 0.0086 -0.0154 1889 ARG 122 CG 0.0217 -0.0054 -0.0177 1890 ARG 122 CD 0.0161 -0.0036 -0.0264 1891 ARG 122 NE 0.0183 0.0038 -0.0173 1892 ARG 122 CZ 0.0204 0.0144 -0.0062 1893 ARG 122 NH1 0.0146 0.0264 -0.0079 1894 ARG 122 NH2 0.0281 0.0129 0.0062 1895 ARG 122 H 0.0294 0.0124 0.0082 1896 ARG 122 HA 0.0131 0.0134 -0.0196 1897 ARG 122 HB3 0.0198 0.0161 -0.0060 1898 ARG 122 HB2 0.0102 0.0147 -0.0238 1899 ARG 122 HG3 0.0224 -0.0148 -0.0231 1900 ARG 122 HG2 0.0285 -0.0080 -0.0077 1901 ARG 122 HD3 0.0089 0.0030 -0.0343 1902 ARG 122 HD2 0.0175 -0.0146 -0.0316 1903 ARG 122 HE 0.0181 0.0007 -0.0197 1904 ARG 122 HH12 0.0161 0.0345 0.0003 1905 ARG 122 HH11 0.0087 0.0273 -0.0176 1906 ARG 122 HH22 0.0297 0.0209 0.0146 1907 ARG 122 HH21 0.0324 0.0037 0.0073 1908 GLN 123 N 0.0170 -0.0153 -0.0182 1909 GLN 123 CA 0.0063 0.0018 -0.0030 1910 GLN 123 C 0.0187 0.0122 0.0170 1911 GLN 123 O 0.0194 0.0239 0.0320 1912 GLN 123 CB -0.0189 0.0094 -0.0080 1913 GLN 123 CG -0.0222 0.0128 -0.0058 1914 GLN 123 CD -0.0464 0.0173 -0.0140 1915 GLN 123 OE1 -0.0515 0.0089 -0.0274 1916 GLN 123 NE2 -0.0617 0.0314 -0.0052 1917 GLN 123 H 0.0074 -0.0204 -0.0300 1918 GLN 123 HA 0.0065 0.0023 -0.0023 1919 GLN 123 HB3 -0.0274 0.0014 -0.0229 1920 GLN 123 HB2 -0.0277 0.0208 0.0011 1921 GLN 123 HG3 -0.0165 0.0225 0.0096 1922 GLN 123 HG2 -0.0110 0.0020 -0.0127 1923 GLN 123 HE22 -0.0781 0.0351 -0.0101 1924 GLN 123 HE21 -0.0570 0.0385 0.0063 1925 TYR 124 N -0.0014 0.0061 0.0012 1926 TYR 124 CA 0.0017 0.0079 0.0065 1927 TYR 124 C 0.0075 0.0075 0.0121 1928 TYR 124 O 0.0092 0.0107 0.0176 1929 TYR 124 CB 0.0028 0.0051 0.0043 1930 TYR 124 CG -0.0032 0.0062 -0.0006 1931 TYR 124 CD1 -0.0076 0.0117 0.0013 1932 TYR 124 CD2 -0.0045 0.0020 -0.0071 1933 TYR 124 CE1 -0.0131 0.0127 -0.0032 1934 TYR 124 CE2 -0.0100 0.0031 -0.0116 1935 TYR 124 CZ -0.0144 0.0085 -0.0097 1936 TYR 124 OH -0.0199 0.0096 -0.0141 1937 TYR 124 H -0.0014 0.0026 -0.0032 1938 TYR 124 HA -0.0018 0.0126 0.0085 1939 TYR 124 HB3 0.0049 0.0068 0.0085 1940 TYR 124 HB2 0.0063 0.0004 0.0022 1941 TYR 124 HD1 -0.0068 0.0152 0.0063 1942 TYR 124 HD2 -0.0012 -0.0022 -0.0088 1943 TYR 124 HE1 -0.0164 0.0168 -0.0016 1944 TYR 124 HE2 -0.0109 -0.0004 -0.0167 1945 TYR 124 HH -0.0202 0.0063 -0.0184 1946 VAL 125 N 0.0156 0.0022 0.0104 1947 VAL 125 CA 0.0160 0.0021 0.0109 1948 VAL 125 C 0.0174 0.0024 0.0118 1949 VAL 125 O 0.0179 0.0023 0.0124 1950 VAL 125 CB 0.0150 0.0010 0.0117 1951 VAL 125 CG1 0.0135 0.0008 0.0107 1952 VAL 125 CG2 0.0149 0.0003 0.0129 1953 VAL 125 H 0.0155 0.0017 0.0110 1954 VAL 125 HA 0.0159 0.0026 0.0100 1955 VAL 125 HB 0.0153 0.0010 0.0121 1956 VAL 125 HG11 0.0128 0.0000 0.0113 1957 VAL 125 HG12 0.0136 0.0013 0.0099 1958 VAL 125 HG13 0.0132 0.0008 0.0103 1959 VAL 125 HG21 0.0142 -0.0005 0.0134 1960 VAL 125 HG22 0.0146 0.0003 0.0125 1961 VAL 125 HG23 0.0159 0.0004 0.0136 1962 GLN 126 N 0.0309 0.0093 0.0090 1963 GLN 126 CA 0.0268 0.0007 -0.0021 1964 GLN 126 C 0.0247 -0.0029 -0.0037 1965 GLN 126 O 0.0221 -0.0049 0.0061 1966 GLN 126 CB 0.0199 -0.0095 -0.0000 1967 GLN 126 CG 0.0139 -0.0164 0.0115 1968 GLN 126 CD 0.0062 -0.0291 0.0082 1969 GLN 126 OE1 0.0021 -0.0341 0.0143 1970 GLN 126 NE2 0.0042 -0.0341 -0.0014 1971 GLN 126 H 0.0289 0.0079 0.0169 1972 GLN 126 HA 0.0304 0.0044 -0.0113 1973 GLN 126 HB3 0.0216 -0.0066 0.0016 1974 GLN 126 HB2 0.0176 -0.0150 -0.0093 1975 GLN 126 HG3 0.0146 -0.0150 0.0135 1976 GLN 126 HG2 0.0146 -0.0136 0.0205 1977 GLN 126 HE22 -0.0008 -0.0424 -0.0040 1978 GLN 126 HE21 0.0078 -0.0295 -0.0062 1979 GLY 127 N 0.0173 -0.0127 0.0029 1980 GLY 127 CA 0.0023 -0.0355 -0.0131 1981 GLY 127 C -0.0031 -0.0360 -0.0195 1982 GLY 127 O -0.0149 -0.0560 -0.0319 1983 GLY 127 H 0.0124 0.0063 -0.0045 1984 GLY 127 HA3 0.0068 -0.0581 -0.0060 1985 GLY 127 HA2 -0.0110 -0.0330 -0.0291 1986 CYS 128 N 0.0053 -0.0126 0.0040 1987 CYS 128 CA 0.0023 -0.0115 0.0001 1988 CYS 128 C -0.0028 -0.0079 -0.0043 1989 CYS 128 O -0.0053 -0.0075 -0.0083 1990 CYS 128 CB 0.0025 -0.0087 0.0039 1991 CYS 128 SG 0.0082 -0.0130 0.0085 1992 CYS 128 H 0.0057 -0.0096 0.0082 1993 CYS 128 HA 0.0035 -0.0159 -0.0029 1994 CYS 128 HB3 0.0001 -0.0078 0.0007 1995 CYS 128 HB2 0.0013 -0.0043 0.0069 1996 GLY 129 N -0.0215 -0.0196 -0.0177 1997 GLY 129 CA -0.0277 -0.0168 -0.0204 1998 GLY 129 C -0.0170 -0.0123 -0.0217 1999 GLY 129 O -0.0195 -0.0139 -0.0211 2000 GLY 129 H -0.0216 -0.0134 -0.0217 2001 GLY 129 HA3 -0.0339 -0.0248 -0.0163 2002 GLY 129 HA2 -0.0354 -0.0100 -0.0258 2003 VAL 130 N -0.0144 -0.0062 0.0020 2004 VAL 130 CA -0.0143 -0.0036 0.0027 2005 VAL 130 C -0.0140 0.0002 0.0038 2006 VAL 130 O -0.0138 0.0025 0.0045 2007 VAL 130 CB -0.0115 -0.0048 0.0041 2008 VAL 130 CG1 -0.0119 -0.0083 0.0030 2009 VAL 130 CG2 -0.0083 -0.0051 0.0060 2010 VAL 130 OXT -0.0139 0.0003 0.0039 2011 VAL 130 H -0.0125 -0.0067 0.0031 2012 VAL 130 HA -0.0165 -0.0035 0.0013 2013 VAL 130 HB -0.0115 -0.0027 0.0046 2014 VAL 130 HG11 -0.0099 -0.0090 0.0041 2015 VAL 130 HG12 -0.0141 -0.0079 0.0018 2016 VAL 130 HG13 -0.0120 -0.0104 0.0024 2017 VAL 130 HG21 -0.0064 -0.0059 0.0070 2018 VAL 130 HG22 -0.0083 -0.0071 0.0055 2019 VAL 130 HG23 -0.0081 -0.0024 0.0068