1 LYS 1 N 0.0086 -0.0037 -0.0058 2 LYS 1 CA 0.0103 -0.0044 -0.0055 3 LYS 1 C 0.0137 -0.0031 -0.0002 4 LYS 1 O 0.0127 -0.0004 0.0034 5 LYS 1 CB 0.0054 -0.0023 -0.0063 6 LYS 1 CG 0.0057 -0.0018 -0.0052 7 LYS 1 CD 0.0004 0.0005 -0.0062 8 LYS 1 CE 0.0007 0.0011 -0.0049 9 LYS 1 NZ -0.0043 0.0027 -0.0066 10 LYS 1 H1 0.0064 -0.0046 -0.0093 11 LYS 1 H2 0.0117 -0.0050 -0.0051 12 LYS 1 H3 0.0066 -0.0011 -0.0032 13 LYS 1 HA 0.0124 -0.0073 -0.0084 14 LYS 1 HB3 0.0027 0.0003 -0.0044 15 LYS 1 HB2 0.0031 -0.0034 -0.0102 16 LYS 1 HG3 0.0080 -0.0044 -0.0075 17 LYS 1 HG2 0.0077 -0.0005 -0.0013 18 LYS 1 HD3 -0.0020 0.0030 -0.0040 19 LYS 1 HD2 -0.0016 -0.0008 -0.0102 20 LYS 1 HE3 0.0036 -0.0015 -0.0066 21 LYS 1 HE2 0.0021 0.0027 -0.0008 22 LYS 1 HZ1 -0.0038 0.0029 -0.0059 23 LYS 1 HZ2 -0.0056 0.0012 -0.0103 24 LYS 1 HZ3 -0.0068 0.0052 -0.0047 25 VAL 2 N 0.0129 -0.0066 -0.0015 26 VAL 2 CA 0.0154 -0.0054 0.0022 27 VAL 2 C 0.0125 -0.0039 0.0003 28 VAL 2 O 0.0117 -0.0069 -0.0030 29 VAL 2 CB 0.0200 -0.0097 0.0037 30 VAL 2 CG1 0.0224 -0.0080 0.0076 31 VAL 2 CG2 0.0228 -0.0113 0.0054 32 VAL 2 H 0.0129 -0.0100 -0.0043 33 VAL 2 HA 0.0157 -0.0022 0.0052 34 VAL 2 HB 0.0197 -0.0130 0.0007 35 VAL 2 HG11 0.0257 -0.0112 0.0087 36 VAL 2 HG12 0.0204 -0.0070 0.0064 37 VAL 2 HG13 0.0227 -0.0048 0.0107 38 VAL 2 HG21 0.0261 -0.0144 0.0065 39 VAL 2 HG22 0.0230 -0.0080 0.0084 40 VAL 2 HG23 0.0211 -0.0126 0.0026 41 PHE 3 N 0.0087 0.0014 0.0050 42 PHE 3 CA 0.0072 0.0024 0.0050 43 PHE 3 C 0.0092 0.0020 0.0061 44 PHE 3 O 0.0114 0.0020 0.0078 45 PHE 3 CB 0.0056 0.0051 0.0066 46 PHE 3 CG 0.0029 0.0059 0.0054 47 PHE 3 CD1 0.0028 0.0058 0.0052 48 PHE 3 CD2 0.0005 0.0067 0.0045 49 PHE 3 CE1 0.0004 0.0065 0.0041 50 PHE 3 CE2 -0.0019 0.0075 0.0034 51 PHE 3 CZ -0.0020 0.0074 0.0032 52 PHE 3 H 0.0088 0.0024 0.0062 53 PHE 3 HA 0.0059 0.0016 0.0032 54 PHE 3 HB3 0.0052 0.0059 0.0072 55 PHE 3 HB2 0.0068 0.0058 0.0083 56 PHE 3 HD1 0.0047 0.0051 0.0059 57 PHE 3 HD2 0.0005 0.0068 0.0046 58 PHE 3 HE1 0.0003 0.0064 0.0039 59 PHE 3 HE2 -0.0037 0.0080 0.0026 60 PHE 3 HZ -0.0039 0.0081 0.0025 61 GLU 4 N 0.0068 -0.0005 0.0006 62 GLU 4 CA 0.0072 -0.0008 0.0009 63 GLU 4 C 0.0068 0.0019 0.0017 64 GLU 4 O 0.0057 0.0037 0.0012 65 GLU 4 CB 0.0060 -0.0022 -0.0012 66 GLU 4 CG 0.0064 -0.0049 -0.0020 67 GLU 4 CD 0.0050 -0.0063 -0.0041 68 GLU 4 OE1 0.0050 -0.0068 -0.0044 69 GLU 4 OE2 0.0041 -0.0070 -0.0055 70 GLU 4 H 0.0056 -0.0005 -0.0009 71 GLU 4 HA 0.0086 -0.0019 0.0020 72 GLU 4 HB3 0.0062 -0.0023 -0.0009 73 GLU 4 HB2 0.0046 -0.0011 -0.0024 74 GLU 4 HG3 0.0064 -0.0049 -0.0019 75 GLU 4 HG2 0.0077 -0.0061 -0.0009 76 ARG 5 N 0.0069 0.0070 -0.0103 77 ARG 5 CA 0.0073 0.0038 -0.0123 78 ARG 5 C 0.0102 0.0016 -0.0107 79 ARG 5 O 0.0115 -0.0011 -0.0113 80 ARG 5 CB 0.0052 0.0043 -0.0142 81 ARG 5 CG 0.0054 0.0013 -0.0163 82 ARG 5 CD 0.0031 0.0022 -0.0182 83 ARG 5 NE 0.0036 0.0036 -0.0166 84 ARG 5 CZ 0.0050 0.0021 -0.0162 85 ARG 5 NH1 0.0063 -0.0011 -0.0172 86 ARG 5 NH2 0.0051 0.0037 -0.0148 87 ARG 5 H 0.0053 0.0089 -0.0105 88 ARG 5 HA 0.0068 0.0026 -0.0137 89 ARG 5 HB3 0.0054 0.0059 -0.0128 90 ARG 5 HB2 0.0031 0.0058 -0.0154 91 ARG 5 HG3 0.0051 -0.0002 -0.0178 92 ARG 5 HG2 0.0074 -0.0000 -0.0151 93 ARG 5 HD3 0.0012 0.0038 -0.0191 94 ARG 5 HD2 0.0029 0.0000 -0.0201 95 ARG 5 HE 0.0027 0.0061 -0.0157 96 ARG 5 HH12 0.0073 -0.0023 -0.0169 97 ARG 5 HH11 0.0062 -0.0025 -0.0183 98 ARG 5 HH22 0.0062 0.0025 -0.0145 99 ARG 5 HH21 0.0042 0.0062 -0.0139 100 CYS 6 N 0.0011 0.0031 -0.0059 101 CYS 6 CA 0.0007 0.0024 -0.0042 102 CYS 6 C 0.0000 0.0011 -0.0040 103 CYS 6 O -0.0005 0.0000 -0.0030 104 CYS 6 CB 0.0011 0.0037 -0.0028 105 CYS 6 SG 0.0017 0.0050 -0.0027 106 CYS 6 H 0.0016 0.0042 -0.0060 107 CYS 6 HA 0.0004 0.0019 -0.0041 108 CYS 6 HB3 0.0007 0.0031 -0.0016 109 CYS 6 HB2 0.0014 0.0043 -0.0029 110 GLU 7 N 0.0008 0.0020 0.0041 111 GLU 7 CA -0.0004 0.0012 0.0034 112 GLU 7 C -0.0013 0.0008 0.0034 113 GLU 7 O -0.0026 0.0004 0.0036 114 GLU 7 CB 0.0002 0.0008 0.0018 115 GLU 7 CG -0.0009 -0.0000 0.0009 116 GLU 7 CD -0.0003 -0.0004 -0.0007 117 GLU 7 OE1 0.0009 -0.0001 -0.0012 118 GLU 7 OE2 -0.0011 -0.0011 -0.0015 119 GLU 7 H 0.0018 0.0022 0.0036 120 GLU 7 HA -0.0010 0.0012 0.0039 121 GLU 7 HB3 0.0009 0.0009 0.0013 122 GLU 7 HB2 0.0010 0.0011 0.0018 123 GLU 7 HG3 -0.0014 -0.0001 0.0013 124 GLU 7 HG2 -0.0017 -0.0003 0.0010 125 LEU 8 N 0.0002 0.0037 0.0022 126 LEU 8 CA 0.0005 0.0045 0.0026 127 LEU 8 C 0.0001 0.0057 0.0027 128 LEU 8 O -0.0002 0.0063 0.0027 129 LEU 8 CB 0.0015 0.0044 0.0034 130 LEU 8 CG 0.0019 0.0051 0.0038 131 LEU 8 CD1 0.0015 0.0050 0.0036 132 LEU 8 CD2 0.0030 0.0050 0.0045 133 LEU 8 H 0.0006 0.0033 0.0024 134 LEU 8 HA 0.0002 0.0044 0.0024 135 LEU 8 HB3 0.0018 0.0045 0.0036 136 LEU 8 HB2 0.0018 0.0036 0.0033 137 LEU 8 HG 0.0016 0.0060 0.0039 138 LEU 8 HD11 0.0018 0.0056 0.0039 139 LEU 8 HD12 0.0008 0.0052 0.0031 140 LEU 8 HD13 0.0018 0.0042 0.0035 141 LEU 8 HD21 0.0032 0.0055 0.0049 142 LEU 8 HD22 0.0032 0.0041 0.0045 143 LEU 8 HD23 0.0032 0.0051 0.0047 144 ALA 9 N -0.0038 -0.0022 -0.0035 145 ALA 9 CA -0.0037 -0.0026 -0.0034 146 ALA 9 C -0.0035 -0.0032 -0.0025 147 ALA 9 O -0.0033 -0.0041 -0.0025 148 ALA 9 CB -0.0039 -0.0018 -0.0035 149 ALA 9 H -0.0040 -0.0015 -0.0035 150 ALA 9 HA -0.0035 -0.0031 -0.0041 151 ALA 9 HB1 -0.0038 -0.0021 -0.0035 152 ALA 9 HB2 -0.0040 -0.0014 -0.0043 153 ALA 9 HB3 -0.0041 -0.0012 -0.0029 154 ARG 10 N -0.0082 -0.0008 0.0081 155 ARG 10 CA -0.0093 -0.0021 0.0100 156 ARG 10 C -0.0089 -0.0048 0.0098 157 ARG 10 O -0.0094 -0.0060 0.0107 158 ARG 10 CB -0.0106 -0.0015 0.0118 159 ARG 10 CG -0.0113 0.0011 0.0125 160 ARG 10 CD -0.0126 0.0014 0.0144 161 ARG 10 NE -0.0123 0.0013 0.0140 162 ARG 10 CZ -0.0120 0.0031 0.0133 163 ARG 10 NH1 -0.0120 0.0053 0.0130 164 ARG 10 NH2 -0.0117 0.0028 0.0129 165 ARG 10 H -0.0082 0.0001 0.0081 166 ARG 10 HA -0.0096 -0.0014 0.0104 167 ARG 10 HB3 -0.0113 -0.0028 0.0131 168 ARG 10 HB2 -0.0102 -0.0018 0.0114 169 ARG 10 HG3 -0.0106 0.0024 0.0113 170 ARG 10 HG2 -0.0116 0.0015 0.0129 171 ARG 10 HD3 -0.0132 0.0031 0.0151 172 ARG 10 HD2 -0.0132 -0.0001 0.0156 173 ARG 10 HE -0.0124 -0.0004 0.0144 174 ARG 10 HH12 -0.0118 0.0067 0.0125 175 ARG 10 HH11 -0.0123 0.0056 0.0134 176 ARG 10 HH22 -0.0115 0.0043 0.0124 177 ARG 10 HH21 -0.0117 0.0012 0.0132 178 THR 11 N -0.0061 -0.0011 0.0113 179 THR 11 CA -0.0062 -0.0018 0.0110 180 THR 11 C -0.0065 -0.0029 0.0106 181 THR 11 O -0.0063 -0.0037 0.0109 182 THR 11 CB -0.0065 -0.0011 0.0103 183 THR 11 OG1 -0.0062 -0.0001 0.0109 184 THR 11 CG2 -0.0067 -0.0017 0.0100 185 THR 11 H -0.0062 -0.0004 0.0109 186 THR 11 HA -0.0059 -0.0019 0.0118 187 THR 11 HB -0.0068 -0.0008 0.0097 188 THR 11 HG1 -0.0062 0.0005 0.0108 189 THR 11 HG21 -0.0069 -0.0012 0.0095 190 THR 11 HG22 -0.0069 -0.0025 0.0096 191 THR 11 HG23 -0.0064 -0.0019 0.0107 192 LEU 12 N -0.0044 0.0004 0.0085 193 LEU 12 CA -0.0035 -0.0000 0.0073 194 LEU 12 C -0.0034 -0.0001 0.0073 195 LEU 12 O -0.0026 -0.0009 0.0070 196 LEU 12 CB -0.0036 0.0007 0.0058 197 LEU 12 CG -0.0035 0.0007 0.0056 198 LEU 12 CD1 -0.0036 0.0015 0.0042 199 LEU 12 CD2 -0.0024 -0.0005 0.0057 200 LEU 12 H -0.0050 0.0012 0.0082 201 LEU 12 HA -0.0028 -0.0009 0.0074 202 LEU 12 HB3 -0.0030 0.0005 0.0050 203 LEU 12 HB2 -0.0043 0.0016 0.0057 204 LEU 12 HG -0.0041 0.0010 0.0064 205 LEU 12 HD11 -0.0035 0.0015 0.0040 206 LEU 12 HD12 -0.0044 0.0024 0.0042 207 LEU 12 HD13 -0.0030 0.0012 0.0033 208 LEU 12 HD21 -0.0024 -0.0005 0.0056 209 LEU 12 HD22 -0.0018 -0.0008 0.0050 210 LEU 12 HD23 -0.0024 -0.0010 0.0068 211 LYS 13 N -0.0089 -0.0066 0.0069 212 LYS 13 CA -0.0076 -0.0069 0.0046 213 LYS 13 C -0.0046 -0.0073 0.0066 214 LYS 13 O -0.0016 -0.0078 0.0050 215 LYS 13 CB -0.0107 -0.0064 0.0033 216 LYS 13 CG -0.0094 -0.0066 0.0007 217 LYS 13 CD -0.0124 -0.0062 -0.0021 218 LYS 13 CE -0.0108 -0.0065 -0.0052 219 LYS 13 NZ -0.0135 -0.0061 -0.0083 220 LYS 13 H -0.0117 -0.0062 0.0078 221 LYS 13 HA -0.0063 -0.0071 0.0020 222 LYS 13 HB3 -0.0121 -0.0061 0.0058 223 LYS 13 HB2 -0.0129 -0.0061 0.0019 224 LYS 13 HG3 -0.0069 -0.0070 -0.0008 225 LYS 13 HG2 -0.0087 -0.0067 0.0024 226 LYS 13 HD3 -0.0147 -0.0058 -0.0006 227 LYS 13 HD2 -0.0135 -0.0060 -0.0035 228 LYS 13 HE3 -0.0082 -0.0069 -0.0063 229 LYS 13 HE2 -0.0103 -0.0065 -0.0039 230 LYS 13 HZ1 -0.0162 -0.0056 -0.0073 231 LYS 13 HZ2 -0.0132 -0.0061 -0.0096 232 LYS 13 HZ3 -0.0131 -0.0061 -0.0102 233 ARG 14 N -0.0078 -0.0040 0.0145 234 ARG 14 CA -0.0084 -0.0081 0.0178 235 ARG 14 C -0.0037 -0.0120 0.0168 236 ARG 14 O -0.0035 -0.0145 0.0183 237 ARG 14 CB -0.0108 -0.0108 0.0215 238 ARG 14 CG -0.0161 -0.0083 0.0239 239 ARG 14 CD -0.0184 -0.0120 0.0282 240 ARG 14 NE -0.0167 -0.0139 0.0282 241 ARG 14 CZ -0.0184 -0.0117 0.0281 242 ARG 14 NH1 -0.0221 -0.0076 0.0282 243 ARG 14 NH2 -0.0162 -0.0138 0.0278 244 ARG 14 H -0.0088 -0.0035 0.0150 245 ARG 14 HA -0.0106 -0.0068 0.0187 246 ARG 14 HB3 -0.0099 -0.0147 0.0234 247 ARG 14 HB2 -0.0094 -0.0108 0.0204 248 ARG 14 HG3 -0.0170 -0.0051 0.0225 249 ARG 14 HG2 -0.0173 -0.0070 0.0241 250 ARG 14 HD3 -0.0222 -0.0101 0.0300 251 ARG 14 HD2 -0.0177 -0.0150 0.0297 252 ARG 14 HE -0.0140 -0.0172 0.0283 253 ARG 14 HH12 -0.0234 -0.0060 0.0281 254 ARG 14 HH11 -0.0236 -0.0061 0.0284 255 ARG 14 HH22 -0.0175 -0.0122 0.0277 256 ARG 14 HH21 -0.0134 -0.0169 0.0276 257 LEU 15 N -0.0049 -0.0044 0.0170 258 LEU 15 CA -0.0044 -0.0056 0.0162 259 LEU 15 C -0.0042 -0.0081 0.0140 260 LEU 15 O -0.0038 -0.0093 0.0131 261 LEU 15 CB -0.0064 -0.0038 0.0159 262 LEU 15 CG -0.0063 -0.0016 0.0183 263 LEU 15 CD1 -0.0085 0.0002 0.0178 264 LEU 15 CD2 -0.0040 -0.0024 0.0199 265 LEU 15 H -0.0066 -0.0032 0.0163 266 LEU 15 HA -0.0027 -0.0059 0.0178 267 LEU 15 HB3 -0.0063 -0.0049 0.0149 268 LEU 15 HB2 -0.0082 -0.0032 0.0147 269 LEU 15 HG -0.0062 -0.0007 0.0194 270 LEU 15 HD11 -0.0083 0.0018 0.0196 271 LEU 15 HD12 -0.0101 0.0009 0.0168 272 LEU 15 HD13 -0.0086 -0.0007 0.0167 273 LEU 15 HD21 -0.0040 -0.0008 0.0216 274 LEU 15 HD22 -0.0040 -0.0034 0.0189 275 LEU 15 HD23 -0.0024 -0.0036 0.0204 276 GLY 16 N 0.0020 -0.0074 0.0081 277 GLY 16 CA 0.0038 -0.0088 0.0045 278 GLY 16 C 0.0020 -0.0092 0.0020 279 GLY 16 O 0.0038 -0.0102 -0.0006 280 GLY 16 H 0.0001 -0.0071 0.0082 281 GLY 16 HA3 0.0069 -0.0091 0.0051 282 GLY 16 HA2 0.0040 -0.0092 0.0030 283 MET 17 N 0.0020 -0.0029 0.0020 284 MET 17 CA 0.0001 -0.0034 0.0007 285 MET 17 C -0.0008 -0.0047 -0.0019 286 MET 17 O -0.0019 -0.0053 -0.0033 287 MET 17 CB -0.0024 -0.0024 0.0023 288 MET 17 CG -0.0015 -0.0012 0.0047 289 MET 17 SD -0.0006 -0.0016 0.0040 290 MET 17 CE -0.0037 -0.0008 0.0052 291 MET 17 H 0.0011 -0.0022 0.0032 292 MET 17 HA 0.0013 -0.0036 0.0005 293 MET 17 HB3 -0.0039 -0.0029 0.0012 294 MET 17 HB2 -0.0035 -0.0021 0.0027 295 MET 17 HG3 -0.0032 -0.0004 0.0060 296 MET 17 HG2 0.0003 -0.0009 0.0056 297 MET 17 HE1 -0.0035 -0.0010 0.0049 298 MET 17 HE2 -0.0039 0.0002 0.0071 299 MET 17 HE3 -0.0055 -0.0012 0.0041 300 ASP 18 N -0.0001 -0.0087 -0.0051 301 ASP 18 CA -0.0020 -0.0092 -0.0092 302 ASP 18 C 0.0012 -0.0103 -0.0126 303 ASP 18 O 0.0042 -0.0108 -0.0129 304 ASP 18 CB -0.0041 -0.0089 -0.0091 305 ASP 18 CG -0.0070 -0.0092 -0.0130 306 ASP 18 OD1 -0.0086 -0.0094 -0.0152 307 ASP 18 OD2 -0.0077 -0.0093 -0.0139 308 ASP 18 H 0.0005 -0.0083 -0.0029 309 ASP 18 HA -0.0046 -0.0090 -0.0098 310 ASP 18 HB3 -0.0016 -0.0092 -0.0089 311 ASP 18 HB2 -0.0059 -0.0081 -0.0063 312 GLY 19 N 0.0033 -0.0117 -0.0102 313 GLY 19 CA 0.0046 -0.0164 -0.0127 314 GLY 19 C 0.0055 -0.0159 -0.0121 315 GLY 19 O 0.0070 -0.0197 -0.0140 316 GLY 19 H -0.0009 -0.0105 -0.0104 317 GLY 19 HA3 0.0084 -0.0186 -0.0131 318 GLY 19 HA2 0.0011 -0.0188 -0.0148 319 TYR 20 N -0.0007 -0.0099 -0.0008 320 TYR 20 CA -0.0017 -0.0096 -0.0010 321 TYR 20 C -0.0032 -0.0104 -0.0011 322 TYR 20 O -0.0039 -0.0102 -0.0012 323 TYR 20 CB -0.0019 -0.0080 -0.0015 324 TYR 20 CG -0.0027 -0.0077 -0.0017 325 TYR 20 CD1 -0.0019 -0.0075 -0.0017 326 TYR 20 CD2 -0.0042 -0.0075 -0.0020 327 TYR 20 CE1 -0.0025 -0.0072 -0.0019 328 TYR 20 CE2 -0.0048 -0.0073 -0.0022 329 TYR 20 CZ -0.0040 -0.0071 -0.0021 330 TYR 20 OH -0.0047 -0.0068 -0.0023 331 TYR 20 H -0.0004 -0.0091 -0.0010 332 TYR 20 HA -0.0012 -0.0100 -0.0009 333 TYR 20 HB3 -0.0026 -0.0077 -0.0017 334 TYR 20 HB2 -0.0008 -0.0074 -0.0015 335 TYR 20 HD1 -0.0007 -0.0076 -0.0015 336 TYR 20 HD2 -0.0048 -0.0077 -0.0021 337 TYR 20 HE1 -0.0019 -0.0070 -0.0018 338 TYR 20 HE2 -0.0060 -0.0072 -0.0024 339 TYR 20 HH -0.0040 -0.0067 -0.0022 340 ARG 21 N -0.0065 -0.0076 -0.0044 341 ARG 21 CA -0.0072 -0.0060 0.0025 342 ARG 21 C -0.0030 -0.0093 0.0074 343 ARG 21 O -0.0015 -0.0099 0.0125 344 ARG 21 CB -0.0082 -0.0050 0.0031 345 ARG 21 CG -0.0134 -0.0007 -0.0002 346 ARG 21 CD -0.0171 0.0035 0.0051 347 ARG 21 NE -0.0155 0.0027 0.0097 348 ARG 21 CZ -0.0164 0.0043 0.0161 349 ARG 21 NH1 -0.0201 0.0080 0.0180 350 ARG 21 NH2 -0.0136 0.0023 0.0204 351 ARG 21 H -0.0093 -0.0054 -0.0070 352 ARG 21 HA -0.0105 -0.0028 0.0038 353 ARG 21 HB3 -0.0080 -0.0045 0.0084 354 ARG 21 HB2 -0.0054 -0.0079 0.0008 355 ARG 21 HG3 -0.0131 -0.0013 -0.0027 356 ARG 21 HG2 -0.0146 -0.0000 -0.0039 357 ARG 21 HD3 -0.0208 0.0065 0.0026 358 ARG 21 HD2 -0.0171 0.0039 0.0079 359 ARG 21 HE -0.0137 0.0007 0.0077 360 ARG 21 HH12 -0.0208 0.0093 0.0229 361 ARG 21 HH11 -0.0221 0.0094 0.0147 362 ARG 21 HH22 -0.0143 0.0036 0.0253 363 ARG 21 HH21 -0.0108 -0.0004 0.0189 364 GLY 22 N -0.0023 -0.0339 -0.0143 365 GLY 22 CA -0.0017 -0.0377 -0.0129 366 GLY 22 C -0.0021 -0.0238 -0.0168 367 GLY 22 O -0.0027 -0.0272 -0.0162 368 GLY 22 H 0.0073 -0.0321 -0.0092 369 GLY 22 HA3 -0.0105 -0.0478 -0.0154 370 GLY 22 HA2 0.0082 -0.0439 -0.0056 371 ILE 23 N 0.0020 -0.0046 -0.0086 372 ILE 23 CA 0.0010 -0.0049 -0.0080 373 ILE 23 C 0.0007 -0.0052 -0.0082 374 ILE 23 O 0.0011 -0.0049 -0.0080 375 ILE 23 CB 0.0011 -0.0044 -0.0068 376 ILE 23 CG1 0.0014 -0.0041 -0.0065 377 ILE 23 CG2 0.0001 -0.0048 -0.0061 378 ILE 23 CD1 0.0017 -0.0035 -0.0054 379 ILE 23 H 0.0026 -0.0041 -0.0084 380 ILE 23 HA 0.0005 -0.0053 -0.0082 381 ILE 23 HB 0.0016 -0.0041 -0.0066 382 ILE 23 HG13 0.0021 -0.0040 -0.0071 383 ILE 23 HG12 0.0009 -0.0045 -0.0065 384 ILE 23 HG21 0.0001 -0.0045 -0.0053 385 ILE 23 HG22 -0.0002 -0.0050 -0.0063 386 ILE 23 HG23 -0.0005 -0.0052 -0.0063 387 ILE 23 HD11 0.0020 -0.0033 -0.0052 388 ILE 23 HD12 0.0023 -0.0031 -0.0054 389 ILE 23 HD13 0.0011 -0.0037 -0.0048 390 SER 24 N -0.0003 -0.0036 -0.0180 391 SER 24 CA -0.0024 -0.0031 -0.0170 392 SER 24 C -0.0036 -0.0030 -0.0141 393 SER 24 O -0.0036 -0.0030 -0.0132 394 SER 24 CB -0.0049 -0.0025 -0.0191 395 SER 24 OG -0.0064 -0.0022 -0.0191 396 SER 24 H -0.0008 -0.0034 -0.0197 397 SER 24 HA -0.0014 -0.0034 -0.0168 398 SER 24 HB3 -0.0041 -0.0027 -0.0213 399 SER 24 HB2 -0.0063 -0.0023 -0.0184 400 SER 24 HG -0.0081 -0.0018 -0.0200 401 LEU 25 N -0.0031 -0.0041 -0.0156 402 LEU 25 CA -0.0043 -0.0043 -0.0132 403 LEU 25 C -0.0060 -0.0039 -0.0133 404 LEU 25 O -0.0061 -0.0043 -0.0117 405 LEU 25 CB -0.0056 -0.0043 -0.0121 406 LEU 25 CG -0.0066 -0.0046 -0.0095 407 LEU 25 CD1 -0.0046 -0.0054 -0.0077 408 LEU 25 CD2 -0.0078 -0.0044 -0.0088 409 LEU 25 H -0.0033 -0.0039 -0.0162 410 LEU 25 HA -0.0028 -0.0049 -0.0119 411 LEU 25 HB3 -0.0071 -0.0037 -0.0134 412 LEU 25 HB2 -0.0044 -0.0045 -0.0124 413 LEU 25 HG -0.0080 -0.0043 -0.0094 414 LEU 25 HD11 -0.0054 -0.0056 -0.0058 415 LEU 25 HD12 -0.0039 -0.0054 -0.0082 416 LEU 25 HD13 -0.0031 -0.0057 -0.0078 417 LEU 25 HD21 -0.0085 -0.0047 -0.0069 418 LEU 25 HD22 -0.0065 -0.0047 -0.0090 419 LEU 25 HD23 -0.0094 -0.0039 -0.0100 420 ALA 26 N -0.0047 -0.0028 -0.0234 421 ALA 26 CA -0.0061 -0.0035 -0.0229 422 ALA 26 C -0.0052 -0.0033 -0.0217 423 ALA 26 O -0.0060 -0.0038 -0.0204 424 ALA 26 CB -0.0072 -0.0037 -0.0246 425 ALA 26 H -0.0045 -0.0025 -0.0249 426 ALA 26 HA -0.0070 -0.0040 -0.0219 427 ALA 26 HB1 -0.0083 -0.0041 -0.0242 428 ALA 26 HB2 -0.0079 -0.0038 -0.0254 429 ALA 26 HB3 -0.0064 -0.0032 -0.0256 430 ASN 27 N -0.0018 0.0007 -0.0166 431 ASN 27 CA -0.0004 0.0015 -0.0142 432 ASN 27 C 0.0002 0.0012 -0.0125 433 ASN 27 O 0.0006 0.0004 -0.0102 434 ASN 27 CB 0.0009 0.0039 -0.0147 435 ASN 27 CG 0.0007 0.0038 -0.0150 436 ASN 27 OD1 0.0008 0.0028 -0.0132 437 ASN 27 ND2 0.0005 0.0049 -0.0172 438 ASN 27 H -0.0017 0.0019 -0.0183 439 ASN 27 HA -0.0007 0.0002 -0.0132 440 ASN 27 HB3 0.0020 0.0048 -0.0131 441 ASN 27 HB2 0.0008 0.0049 -0.0164 442 ASN 27 HD22 0.0003 0.0049 -0.0176 443 ASN 27 HD21 0.0004 0.0057 -0.0186 444 TRP 28 N 0.0009 0.0009 -0.0037 445 TRP 28 CA 0.0009 0.0014 -0.0034 446 TRP 28 C 0.0007 0.0016 -0.0032 447 TRP 28 O 0.0004 0.0020 -0.0030 448 TRP 28 CB 0.0015 0.0015 -0.0033 449 TRP 28 CG 0.0018 0.0014 -0.0035 450 TRP 28 CD1 0.0022 0.0012 -0.0037 451 TRP 28 CD2 0.0018 0.0016 -0.0034 452 TRP 28 NE1 0.0024 0.0011 -0.0037 453 TRP 28 CE2 0.0021 0.0014 -0.0035 454 TRP 28 CE3 0.0014 0.0018 -0.0032 455 TRP 28 CZ2 0.0022 0.0015 -0.0035 456 TRP 28 CZ3 0.0015 0.0019 -0.0031 457 TRP 28 CH2 0.0019 0.0017 -0.0033 458 TRP 28 H 0.0012 0.0008 -0.0038 459 TRP 28 HA 0.0008 0.0015 -0.0033 460 TRP 28 HB3 0.0015 0.0019 -0.0031 461 TRP 28 HB2 0.0017 0.0015 -0.0034 462 TRP 28 HD1 0.0023 0.0010 -0.0038 463 TRP 28 HE1 0.0027 0.0009 -0.0039 464 TRP 28 HE3 0.0011 0.0020 -0.0030 465 TRP 28 HZ2 0.0025 0.0013 -0.0036 466 TRP 28 HZ3 0.0012 0.0021 -0.0029 467 TRP 28 HH2 0.0019 0.0018 -0.0032 468 MET 29 N 0.0021 0.0017 -0.0129 469 MET 29 CA 0.0009 0.0011 -0.0122 470 MET 29 C 0.0000 0.0007 -0.0115 471 MET 29 O -0.0005 0.0006 -0.0102 472 MET 29 CB 0.0003 0.0005 -0.0133 473 MET 29 CG 0.0009 0.0008 -0.0138 474 MET 29 SD 0.0009 0.0011 -0.0124 475 MET 29 CE -0.0007 0.0001 -0.0121 476 MET 29 H 0.0022 0.0016 -0.0140 477 MET 29 HA 0.0012 0.0015 -0.0114 478 MET 29 HB3 -0.0007 -0.0000 -0.0128 479 MET 29 HB2 0.0001 0.0002 -0.0142 480 MET 29 HG3 0.0004 0.0003 -0.0147 481 MET 29 HG2 0.0019 0.0013 -0.0142 482 MET 29 HE1 -0.0009 0.0002 -0.0112 483 MET 29 HE2 -0.0011 -0.0003 -0.0130 484 MET 29 HE3 -0.0012 -0.0001 -0.0117 485 CYS 30 N -0.0002 0.0012 -0.0136 486 CYS 30 CA -0.0017 0.0001 -0.0115 487 CYS 30 C 0.0001 0.0016 -0.0076 488 CYS 30 O -0.0014 0.0005 -0.0045 489 CYS 30 CB -0.0017 0.0000 -0.0144 490 CYS 30 SG -0.0038 -0.0015 -0.0124 491 CYS 30 H 0.0008 0.0019 -0.0163 492 CYS 30 HA -0.0042 -0.0018 -0.0107 493 CYS 30 HB3 0.0008 0.0019 -0.0151 494 CYS 30 HB2 -0.0027 -0.0008 -0.0172 495 LEU 31 N 0.0044 0.0077 -0.0002 496 LEU 31 CA 0.0054 0.0084 0.0016 497 LEU 31 C 0.0049 0.0084 0.0035 498 LEU 31 O 0.0045 0.0083 0.0052 499 LEU 31 CB 0.0075 0.0095 0.0011 500 LEU 31 CG 0.0087 0.0104 0.0029 501 LEU 31 CD1 0.0085 0.0103 0.0035 502 LEU 31 CD2 0.0107 0.0114 0.0024 503 LEU 31 H 0.0052 0.0080 -0.0014 504 LEU 31 HA 0.0051 0.0083 0.0020 505 LEU 31 HB3 0.0078 0.0097 0.0005 506 LEU 31 HB2 0.0078 0.0096 -0.0002 507 LEU 31 HG 0.0082 0.0102 0.0042 508 LEU 31 HD11 0.0094 0.0109 0.0047 509 LEU 31 HD12 0.0071 0.0096 0.0040 510 LEU 31 HD13 0.0089 0.0104 0.0021 511 LEU 31 HD21 0.0115 0.0120 0.0036 512 LEU 31 HD22 0.0112 0.0115 0.0010 513 LEU 31 HD23 0.0107 0.0114 0.0021 514 ALA 32 N 0.0072 0.0100 0.0049 515 ALA 32 CA 0.0067 0.0099 0.0074 516 ALA 32 C 0.0038 0.0082 0.0087 517 ALA 32 O 0.0033 0.0081 0.0115 518 ALA 32 CB 0.0072 0.0101 0.0064 519 ALA 32 H 0.0077 0.0102 0.0028 520 ALA 32 HA 0.0080 0.0108 0.0093 521 ALA 32 HB1 0.0068 0.0100 0.0083 522 ALA 32 HB2 0.0093 0.0113 0.0056 523 ALA 32 HB3 0.0059 0.0092 0.0045 524 LYS 33 N 0.0061 0.0075 0.0021 525 LYS 33 CA -0.0008 0.0022 0.0050 526 LYS 33 C -0.0030 0.0022 0.0124 527 LYS 33 O -0.0062 0.0011 0.0187 528 LYS 33 CB -0.0045 -0.0032 -0.0021 529 LYS 33 CG -0.0115 -0.0089 0.0003 530 LYS 33 CD -0.0161 -0.0121 0.0037 531 LYS 33 CE -0.0228 -0.0171 0.0075 532 LYS 33 NZ -0.0242 -0.0195 0.0035 533 LYS 33 H 0.0077 0.0073 -0.0038 534 LYS 33 HA -0.0017 0.0018 0.0069 535 LYS 33 HB3 -0.0045 -0.0035 -0.0030 536 LYS 33 HB2 -0.0022 -0.0028 -0.0078 537 LYS 33 HG3 -0.0130 -0.0117 -0.0050 538 LYS 33 HG2 -0.0117 -0.0078 0.0048 539 LYS 33 HD3 -0.0142 -0.0091 0.0083 540 LYS 33 HD2 -0.0165 -0.0139 -0.0012 541 LYS 33 HE3 -0.0230 -0.0154 0.0141 542 LYS 33 HE2 -0.0263 -0.0206 0.0067 543 LYS 33 HZ1 -0.0218 -0.0167 0.0058 544 LYS 33 HZ2 -0.0227 -0.0199 -0.0027 545 LYS 33 HZ3 -0.0289 -0.0234 0.0048 546 TRP 34 N -0.0028 0.0035 0.0105 547 TRP 34 CA -0.0042 0.0028 0.0204 548 TRP 34 C 0.0015 0.0092 0.0309 549 TRP 34 O -0.0009 0.0077 0.0412 550 TRP 34 CB -0.0044 0.0023 0.0154 551 TRP 34 CG -0.0122 -0.0059 0.0074 552 TRP 34 CD1 -0.0120 -0.0067 -0.0051 553 TRP 34 CD2 -0.0212 -0.0145 0.0115 554 TRP 34 NE1 -0.0203 -0.0151 -0.0090 555 TRP 34 CE2 -0.0262 -0.0201 0.0010 556 TRP 34 CE3 -0.0257 -0.0179 0.0231 557 TRP 34 CZ2 -0.0353 -0.0289 0.0015 558 TRP 34 CZ3 -0.0349 -0.0268 0.0236 559 TRP 34 CH2 -0.0396 -0.0322 0.0131 560 TRP 34 H 0.0008 0.0064 0.0027 561 TRP 34 HA -0.0109 -0.0034 0.0241 562 TRP 34 HB3 -0.0050 0.0022 0.0230 563 TRP 34 HB2 0.0017 0.0078 0.0100 564 TRP 34 HD1 -0.0057 -0.0010 -0.0104 565 TRP 34 HE1 -0.0213 -0.0167 -0.0181 566 TRP 34 HE3 -0.0220 -0.0137 0.0313 567 TRP 34 HZ2 -0.0388 -0.0330 -0.0069 568 TRP 34 HZ3 -0.0386 -0.0298 0.0323 569 TRP 34 HH2 -0.0467 -0.0391 0.0141 570 GLU 35 N 0.0037 0.0107 0.0144 571 GLU 35 CA 0.0050 0.0114 0.0162 572 GLU 35 C 0.0043 0.0105 0.0177 573 GLU 35 O 0.0046 0.0104 0.0197 574 GLU 35 CB 0.0065 0.0129 0.0154 575 GLU 35 CG 0.0076 0.0140 0.0144 576 GLU 35 CD 0.0084 0.0145 0.0159 577 GLU 35 OE1 0.0083 0.0140 0.0179 578 GLU 35 OE2 0.0091 0.0152 0.0151 579 GLU 35 H 0.0038 0.0110 0.0129 580 GLU 35 HA 0.0053 0.0115 0.0171 581 GLU 35 HB3 0.0073 0.0133 0.0167 582 GLU 35 HB2 0.0062 0.0128 0.0142 583 GLU 35 HG3 0.0085 0.0150 0.0136 584 GLU 35 HG2 0.0068 0.0136 0.0130 585 SER 36 N 0.0104 0.0103 0.0216 586 SER 36 CA 0.0102 0.0096 0.0218 587 SER 36 C 0.0093 0.0075 0.0207 588 SER 36 O 0.0090 0.0068 0.0209 589 SER 36 CB 0.0107 0.0114 0.0207 590 SER 36 OG 0.0106 0.0115 0.0183 591 SER 36 H 0.0102 0.0101 0.0200 592 SER 36 HA 0.0102 0.0095 0.0236 593 SER 36 HB3 0.0114 0.0130 0.0214 594 SER 36 HB2 0.0106 0.0111 0.0211 595 SER 36 HG 0.0110 0.0126 0.0178 596 GLY 37 N 0.0047 0.0051 0.0231 597 GLY 37 CA 0.0034 0.0013 0.0205 598 GLY 37 C 0.0072 0.0038 0.0172 599 GLY 37 O 0.0066 0.0026 0.0167 600 GLY 37 H 0.0047 0.0041 0.0218 601 GLY 37 HA3 0.0007 0.0003 0.0239 602 GLY 37 HA2 0.0023 -0.0024 0.0176 603 TYR 38 N 0.0075 0.0068 0.0149 604 TYR 38 CA 0.0096 0.0081 0.0134 605 TYR 38 C 0.0106 0.0094 0.0177 606 TYR 38 O 0.0110 0.0096 0.0172 607 TYR 38 CB 0.0073 0.0059 0.0096 608 TYR 38 CG 0.0058 0.0042 0.0051 609 TYR 38 CD1 0.0083 0.0054 0.0023 610 TYR 38 CD2 0.0019 0.0012 0.0035 611 TYR 38 CE1 0.0069 0.0039 -0.0018 612 TYR 38 CE2 0.0005 -0.0004 -0.0007 613 TYR 38 CZ 0.0030 0.0009 -0.0033 614 TYR 38 OH 0.0017 -0.0006 -0.0075 615 TYR 38 H 0.0091 0.0078 0.0143 616 TYR 38 HA 0.0126 0.0099 0.0115 617 TYR 38 HB3 0.0093 0.0071 0.0082 618 TYR 38 HB2 0.0047 0.0044 0.0115 619 TYR 38 HD1 0.0114 0.0078 0.0033 620 TYR 38 HD2 -0.0001 0.0001 0.0055 621 TYR 38 HE1 0.0089 0.0049 -0.0038 622 TYR 38 HE2 -0.0025 -0.0027 -0.0019 623 TYR 38 HH 0.0036 0.0006 -0.0085 624 ASN 39 N 0.0137 0.0074 0.0167 625 ASN 39 CA 0.0136 0.0055 0.0150 626 ASN 39 C 0.0121 0.0078 0.0151 627 ASN 39 O 0.0130 0.0095 0.0175 628 ASN 39 CB 0.0166 0.0030 0.0167 629 ASN 39 CG 0.0169 0.0009 0.0153 630 ASN 39 OD1 0.0148 0.0007 0.0127 631 ASN 39 ND2 0.0194 -0.0008 0.0170 632 ASN 39 H 0.0149 0.0085 0.0191 633 ASN 39 HA 0.0126 0.0040 0.0126 634 ASN 39 HB3 0.0177 0.0045 0.0192 635 ASN 39 HB2 0.0177 0.0014 0.0167 636 ASN 39 HD22 0.0198 -0.0023 0.0162 637 ASN 39 HD21 0.0210 -0.0007 0.0191 638 THR 40 N 0.0132 0.0068 0.0107 639 THR 40 CA 0.0105 0.0082 0.0100 640 THR 40 C 0.0122 0.0065 0.0097 641 THR 40 O 0.0105 0.0081 0.0100 642 THR 40 CB 0.0063 0.0082 0.0070 643 THR 40 OG1 0.0067 0.0045 0.0038 644 THR 40 CG2 0.0043 0.0101 0.0072 645 THR 40 H 0.0125 0.0054 0.0088 646 THR 40 HA 0.0100 0.0112 0.0123 647 THR 40 HB 0.0044 0.0096 0.0068 648 THR 40 HG1 0.0044 0.0043 0.0020 649 THR 40 HG21 0.0013 0.0099 0.0049 650 THR 40 HG22 0.0039 0.0130 0.0096 651 THR 40 HG23 0.0062 0.0088 0.0074 652 ARG 41 N 0.0161 0.0053 0.0044 653 ARG 41 CA 0.0174 0.0049 0.0089 654 ARG 41 C 0.0186 0.0050 0.0127 655 ARG 41 O 0.0198 0.0048 0.0166 656 ARG 41 CB 0.0155 0.0003 0.0097 657 ARG 41 CG 0.0163 0.0001 0.0124 658 ARG 41 CD 0.0145 -0.0046 0.0135 659 ARG 41 NE 0.0156 -0.0059 0.0184 660 ARG 41 CZ 0.0171 -0.0044 0.0211 661 ARG 41 NH1 0.0171 -0.0034 0.0196 662 ARG 41 NH2 0.0187 -0.0040 0.0254 663 ARG 41 H 0.0144 0.0025 0.0033 664 ARG 41 HA 0.0186 0.0075 0.0090 665 ARG 41 HB3 0.0149 -0.0021 0.0112 666 ARG 41 HB2 0.0139 -0.0008 0.0064 667 ARG 41 HG3 0.0166 0.0021 0.0106 668 ARG 41 HG2 0.0180 0.0014 0.0156 669 ARG 41 HD3 0.0131 -0.0068 0.0121 670 ARG 41 HD2 0.0139 -0.0049 0.0119 671 ARG 41 HE 0.0150 -0.0081 0.0198 672 ARG 41 HH12 0.0183 -0.0022 0.0217 673 ARG 41 HH11 0.0159 -0.0037 0.0164 674 ARG 41 HH22 0.0199 -0.0029 0.0274 675 ARG 41 HH21 0.0187 -0.0049 0.0267 676 ALA 42 N 0.0154 0.0079 0.0132 677 ALA 42 CA 0.0151 0.0078 0.0128 678 ALA 42 C 0.0137 0.0071 0.0121 679 ALA 42 O 0.0130 0.0062 0.0127 680 ALA 42 CB 0.0155 0.0074 0.0140 681 ALA 42 H 0.0159 0.0076 0.0142 682 ALA 42 HA 0.0155 0.0085 0.0120 683 ALA 42 HB1 0.0152 0.0074 0.0136 684 ALA 42 HB2 0.0164 0.0080 0.0144 685 ALA 42 HB3 0.0151 0.0067 0.0147 686 THR 43 N 0.0071 0.0069 0.0091 687 THR 43 CA 0.0058 0.0055 0.0078 688 THR 43 C 0.0006 0.0049 0.0053 689 THR 43 O -0.0022 0.0075 0.0054 690 THR 43 CB 0.0061 0.0090 0.0097 691 THR 43 OG1 0.0032 0.0131 0.0105 692 THR 43 CG2 0.0111 0.0098 0.0122 693 THR 43 H 0.0048 0.0092 0.0093 694 THR 43 HA 0.0079 0.0022 0.0071 695 THR 43 HB 0.0049 0.0078 0.0086 696 THR 43 HG1 0.0000 0.0126 0.0089 697 THR 43 HG21 0.0113 0.0123 0.0136 698 THR 43 HG22 0.0134 0.0066 0.0116 699 THR 43 HG23 0.0124 0.0110 0.0134 700 ASN 44 N -0.0197 0.0089 0.0119 701 ASN 44 CA -0.0321 0.0077 0.0039 702 ASN 44 C -0.0273 0.0051 0.0025 703 ASN 44 O -0.0165 -0.0017 -0.0020 704 ASN 44 CB -0.0352 -0.0002 -0.0092 705 ASN 44 CG -0.0465 -0.0027 -0.0187 706 ASN 44 OD1 -0.0584 0.0033 -0.0159 707 ASN 44 ND2 -0.0431 -0.0115 -0.0298 708 ASN 44 H -0.0094 0.0047 0.0109 709 ASN 44 HA -0.0416 0.0140 0.0083 710 ASN 44 HB3 -0.0252 -0.0062 -0.0130 711 ASN 44 HB2 -0.0386 0.0017 -0.0082 712 ASN 44 HD22 -0.0503 -0.0135 -0.0365 713 ASN 44 HD21 -0.0331 -0.0161 -0.0316 714 TYR 45 N -0.0330 -0.0112 0.0006 715 TYR 45 CA -0.0264 -0.0101 0.0031 716 TYR 45 C -0.0236 -0.0073 0.0013 717 TYR 45 O -0.0262 -0.0087 0.0015 718 TYR 45 CB -0.0250 -0.0143 0.0092 719 TYR 45 CG -0.0182 -0.0135 0.0121 720 TYR 45 CD1 -0.0141 -0.0110 0.0115 721 TYR 45 CD2 -0.0160 -0.0152 0.0155 722 TYR 45 CE1 -0.0078 -0.0102 0.0141 723 TYR 45 CE2 -0.0097 -0.0143 0.0182 724 TYR 45 CZ -0.0057 -0.0120 0.0176 725 TYR 45 OH 0.0007 -0.0111 0.0202 726 TYR 45 H -0.0359 -0.0142 0.0027 727 TYR 45 HA -0.0242 -0.0080 0.0018 728 TYR 45 HB3 -0.0275 -0.0165 0.0105 729 TYR 45 HB2 -0.0271 -0.0162 0.0104 730 TYR 45 HD1 -0.0157 -0.0098 0.0089 731 TYR 45 HD2 -0.0191 -0.0171 0.0161 732 TYR 45 HE1 -0.0046 -0.0082 0.0135 733 TYR 45 HE2 -0.0079 -0.0155 0.0208 734 TYR 45 HH 0.0030 -0.0086 0.0184 735 ASN 46 N -0.0238 -0.0082 -0.0007 736 ASN 46 CA -0.0228 -0.0074 -0.0069 737 ASN 46 C -0.0172 -0.0075 -0.0010 738 ASN 46 O -0.0084 -0.0068 0.0002 739 ASN 46 CB -0.0169 -0.0059 -0.0159 740 ASN 46 CG -0.0220 -0.0057 -0.0217 741 ASN 46 OD1 -0.0300 -0.0061 -0.0256 742 ASN 46 ND2 -0.0177 -0.0053 -0.0221 743 ASN 46 H -0.0180 -0.0077 0.0002 744 ASN 46 HA -0.0299 -0.0079 -0.0091 745 ASN 46 HB3 -0.0158 -0.0053 -0.0205 746 ASN 46 HB2 -0.0097 -0.0054 -0.0136 747 ASN 46 HD22 -0.0209 -0.0052 -0.0259 748 ASN 46 HD21 -0.0114 -0.0050 -0.0185 749 ALA 47 N -0.0174 -0.0212 0.0082 750 ALA 47 CA 0.0110 -0.0329 0.0279 751 ALA 47 C 0.0411 -0.0110 0.0226 752 ALA 47 O 0.0672 -0.0152 0.0357 753 ALA 47 CB 0.0072 -0.0501 0.0395 754 ALA 47 H -0.0345 -0.0257 0.0052 755 ALA 47 HA 0.0124 -0.0463 0.0386 756 ALA 47 HB1 0.0281 -0.0591 0.0542 757 ALA 47 HB2 -0.0144 -0.0663 0.0436 758 ALA 47 HB3 0.0051 -0.0369 0.0287 759 GLY 48 N 0.0479 -0.0104 0.0159 760 GLY 48 CA 0.0726 0.0201 0.0239 761 GLY 48 C 0.0482 0.0209 0.0237 762 GLY 48 O 0.0736 0.0198 0.0239 763 GLY 48 H 0.0336 0.0048 0.0194 764 GLY 48 HA3 0.0752 0.0569 0.0331 765 GLY 48 HA2 0.1113 0.0085 0.0217 766 ASP 49 N 0.0104 -0.0014 0.0065 767 ASP 49 CA 0.0096 0.0027 0.0055 768 ASP 49 C 0.0074 0.0011 0.0032 769 ASP 49 O 0.0064 0.0043 0.0020 770 ASP 49 CB 0.0080 0.0069 0.0038 771 ASP 49 CG 0.0044 0.0062 -0.0001 772 ASP 49 OD1 0.0030 0.0022 -0.0017 773 ASP 49 OD2 0.0028 0.0099 -0.0019 774 ASP 49 H 0.0085 -0.0033 0.0044 775 ASP 49 HA 0.0119 0.0041 0.0081 776 ASP 49 HB3 0.0096 0.0076 0.0055 777 ASP 49 HB2 0.0082 0.0104 0.0040 778 ARG 50 N 0.0036 -0.0015 0.0055 779 ARG 50 CA 0.0029 -0.0006 0.0009 780 ARG 50 C 0.0032 -0.0011 0.0035 781 ARG 50 O 0.0011 -0.0009 0.0003 782 ARG 50 CB -0.0030 -0.0012 -0.0034 783 ARG 50 CG -0.0022 0.0001 -0.0081 784 ARG 50 CD -0.0083 -0.0007 -0.0120 785 ARG 50 NE -0.0105 -0.0017 -0.0106 786 ARG 50 CZ -0.0149 -0.0022 -0.0138 787 ARG 50 NH1 -0.0153 -0.0008 -0.0201 788 ARG 50 NH2 -0.0185 -0.0040 -0.0107 789 ARG 50 H 0.0077 -0.0003 0.0055 790 ARG 50 HA 0.0068 0.0013 -0.0021 791 ARG 50 HB3 -0.0042 -0.0009 -0.0061 792 ARG 50 HB2 -0.0070 -0.0031 -0.0006 793 ARG 50 HG3 -0.0007 -0.0001 -0.0055 794 ARG 50 HG2 0.0015 0.0019 -0.0112 795 ARG 50 HD3 -0.0074 0.0008 -0.0170 796 ARG 50 HD2 -0.0118 -0.0020 -0.0109 797 ARG 50 HE -0.0083 -0.0020 -0.0067 798 ARG 50 HH12 -0.0187 -0.0011 -0.0226 799 ARG 50 HH11 -0.0123 0.0006 -0.0223 800 ARG 50 HH22 -0.0219 -0.0044 -0.0131 801 ARG 50 HH21 -0.0179 -0.0049 -0.0060 802 SER 51 N 0.0023 -0.0011 -0.0050 803 SER 51 CA 0.0029 -0.0010 -0.0065 804 SER 51 C 0.0005 -0.0019 -0.0065 805 SER 51 O -0.0016 -0.0027 -0.0059 806 SER 51 CB 0.0036 -0.0010 -0.0094 807 SER 51 OG 0.0015 -0.0019 -0.0109 808 SER 51 H 0.0013 -0.0016 -0.0059 809 SER 51 HA 0.0044 -0.0003 -0.0055 810 SER 51 HB3 0.0051 -0.0004 -0.0094 811 SER 51 HB2 0.0045 -0.0007 -0.0104 812 SER 51 HG 0.0012 -0.0020 -0.0105 813 THR 52 N 0.0041 -0.0040 -0.0057 814 THR 52 CA 0.0025 -0.0032 -0.0048 815 THR 52 C 0.0052 -0.0055 -0.0074 816 THR 52 O 0.0097 -0.0066 -0.0083 817 THR 52 CB 0.0040 0.0003 -0.0004 818 THR 52 OG1 0.0013 0.0024 0.0019 819 THR 52 CG2 0.0026 0.0014 0.0008 820 THR 52 H 0.0078 -0.0043 -0.0057 821 THR 52 HA -0.0015 -0.0033 -0.0053 822 THR 52 HB 0.0080 0.0004 0.0001 823 THR 52 HG1 0.0008 0.0013 0.0005 824 THR 52 HG21 0.0037 0.0038 0.0039 825 THR 52 HG22 0.0045 -0.0002 -0.0010 826 THR 52 HG23 -0.0015 0.0014 0.0004 827 ASP 53 N 0.0056 -0.0044 -0.0054 828 ASP 53 CA 0.0079 -0.0062 -0.0057 829 ASP 53 C 0.0092 -0.0030 -0.0008 830 ASP 53 O 0.0060 0.0008 0.0013 831 ASP 53 CB 0.0039 -0.0068 -0.0097 832 ASP 53 CG 0.0022 -0.0098 -0.0146 833 ASP 53 OD1 0.0056 -0.0131 -0.0161 834 ASP 53 OD2 -0.0027 -0.0086 -0.0170 835 ASP 53 H 0.0017 -0.0022 -0.0057 836 ASP 53 HA 0.0115 -0.0092 -0.0066 837 ASP 53 HB3 0.0057 -0.0081 -0.0099 838 ASP 53 HB2 0.0005 -0.0038 -0.0086 839 TYR 54 N 0.0140 0.0025 0.0019 840 TYR 54 CA 0.0146 0.0033 0.0034 841 TYR 54 C 0.0152 0.0035 0.0046 842 TYR 54 O 0.0155 0.0023 0.0048 843 TYR 54 CB 0.0151 0.0023 0.0041 844 TYR 54 CG 0.0147 0.0023 0.0032 845 TYR 54 CD1 0.0143 0.0012 0.0020 846 TYR 54 CD2 0.0147 0.0034 0.0037 847 TYR 54 CE1 0.0140 0.0012 0.0013 848 TYR 54 CE2 0.0143 0.0035 0.0029 849 TYR 54 CZ 0.0139 0.0023 0.0017 850 TYR 54 OH 0.0136 0.0023 0.0010 851 TYR 54 H 0.0142 0.0013 0.0019 852 TYR 54 HA 0.0142 0.0046 0.0033 853 TYR 54 HB3 0.0157 0.0027 0.0052 854 TYR 54 HB2 0.0154 0.0010 0.0041 855 TYR 54 HD1 0.0143 0.0002 0.0016 856 TYR 54 HD2 0.0150 0.0043 0.0047 857 TYR 54 HE1 0.0137 0.0003 0.0003 858 TYR 54 HE2 0.0142 0.0044 0.0032 859 TYR 54 HH 0.0134 0.0014 0.0003 860 GLY 55 N 0.0123 0.0068 0.0108 861 GLY 55 CA 0.0117 0.0072 0.0116 862 GLY 55 C 0.0124 0.0084 0.0129 863 GLY 55 O 0.0136 0.0090 0.0130 864 GLY 55 H 0.0131 0.0065 0.0099 865 GLY 55 HA3 0.0104 0.0069 0.0119 866 GLY 55 HA2 0.0120 0.0068 0.0110 867 ILE 56 N 0.0092 0.0107 0.0145 868 ILE 56 CA 0.0094 0.0114 0.0150 869 ILE 56 C 0.0101 0.0132 0.0164 870 ILE 56 O 0.0111 0.0136 0.0172 871 ILE 56 CB 0.0075 0.0115 0.0140 872 ILE 56 CG1 0.0078 0.0115 0.0142 873 ILE 56 CG2 0.0058 0.0131 0.0140 874 ILE 56 CD1 0.0062 0.0110 0.0130 875 ILE 56 H 0.0079 0.0106 0.0137 876 ILE 56 HA 0.0106 0.0103 0.0150 877 ILE 56 HB 0.0071 0.0101 0.0130 878 ILE 56 HG13 0.0092 0.0106 0.0144 879 ILE 56 HG12 0.0080 0.0130 0.0151 880 ILE 56 HG21 0.0045 0.0131 0.0133 881 ILE 56 HG22 0.0055 0.0128 0.0137 882 ILE 56 HG23 0.0062 0.0145 0.0150 883 ILE 56 HD11 0.0065 0.0111 0.0133 884 ILE 56 HD12 0.0060 0.0096 0.0122 885 ILE 56 HD13 0.0048 0.0121 0.0129 886 PHE 57 N 0.0065 0.0073 0.0107 887 PHE 57 CA 0.0073 0.0088 0.0109 888 PHE 57 C 0.0090 0.0086 0.0113 889 PHE 57 O 0.0098 0.0098 0.0115 890 PHE 57 CB 0.0065 0.0099 0.0108 891 PHE 57 CG 0.0048 0.0103 0.0104 892 PHE 57 CD1 0.0045 0.0111 0.0104 893 PHE 57 CD2 0.0036 0.0100 0.0102 894 PHE 57 CE1 0.0030 0.0116 0.0101 895 PHE 57 CE2 0.0021 0.0104 0.0098 896 PHE 57 CZ 0.0018 0.0112 0.0098 897 PHE 57 H 0.0062 0.0068 0.0106 898 PHE 57 HA 0.0073 0.0094 0.0110 899 PHE 57 HB3 0.0072 0.0110 0.0110 900 PHE 57 HB2 0.0065 0.0093 0.0108 901 PHE 57 HD1 0.0054 0.0115 0.0106 902 PHE 57 HD2 0.0039 0.0094 0.0102 903 PHE 57 HE1 0.0028 0.0122 0.0100 904 PHE 57 HE2 0.0012 0.0102 0.0096 905 PHE 57 HZ 0.0006 0.0115 0.0095 906 GLN 58 N 0.0104 -0.0000 0.0088 907 GLN 58 CA 0.0097 -0.0000 0.0078 908 GLN 58 C 0.0101 -0.0014 0.0073 909 GLN 58 O 0.0097 -0.0019 0.0062 910 GLN 58 CB 0.0087 0.0005 0.0069 911 GLN 58 CG 0.0082 0.0020 0.0074 912 GLN 58 CD 0.0079 0.0028 0.0077 913 GLN 58 OE1 0.0071 0.0030 0.0068 914 GLN 58 NE2 0.0085 0.0031 0.0088 915 GLN 58 H 0.0106 0.0006 0.0097 916 GLN 58 HA 0.0096 0.0006 0.0083 917 GLN 58 HB3 0.0082 0.0004 0.0061 918 GLN 58 HB2 0.0087 0.0001 0.0066 919 GLN 58 HG3 0.0075 0.0023 0.0068 920 GLN 58 HG2 0.0087 0.0022 0.0083 921 GLN 58 HE22 0.0083 0.0036 0.0090 922 GLN 58 HE21 0.0091 0.0028 0.0094 923 ILE 59 N 0.0101 0.0028 0.0012 924 ILE 59 CA 0.0099 0.0018 0.0011 925 ILE 59 C 0.0114 -0.0002 -0.0006 926 ILE 59 O 0.0115 -0.0019 -0.0012 927 ILE 59 CB 0.0074 0.0007 0.0024 928 ILE 59 CG1 0.0060 0.0030 0.0041 929 ILE 59 CG2 0.0071 -0.0008 0.0021 930 ILE 59 CD1 0.0035 0.0022 0.0055 931 ILE 59 H 0.0089 0.0019 0.0017 932 ILE 59 HA 0.0104 0.0034 0.0012 933 ILE 59 HB 0.0067 -0.0006 0.0024 934 ILE 59 HG13 0.0066 0.0044 0.0041 935 ILE 59 HG12 0.0064 0.0041 0.0041 936 ILE 59 HG21 0.0053 -0.0016 0.0031 937 ILE 59 HG22 0.0080 -0.0024 0.0010 938 ILE 59 HG23 0.0077 0.0005 0.0021 939 ILE 59 HD11 0.0027 0.0039 0.0066 940 ILE 59 HD12 0.0031 0.0012 0.0054 941 ILE 59 HD13 0.0029 0.0009 0.0055 942 ASN 60 N 0.0141 -0.0084 -0.0073 943 ASN 60 CA 0.0130 -0.0081 -0.0085 944 ASN 60 C 0.0136 -0.0090 -0.0081 945 ASN 60 O 0.0147 -0.0107 -0.0076 946 ASN 60 CB 0.0118 -0.0093 -0.0104 947 ASN 60 CG 0.0104 -0.0089 -0.0119 948 ASN 60 OD1 0.0104 -0.0103 -0.0125 949 ASN 60 ND2 0.0093 -0.0070 -0.0123 950 ASN 60 H 0.0143 -0.0097 -0.0076 951 ASN 60 HA 0.0123 -0.0064 -0.0085 952 ASN 60 HB3 0.0124 -0.0110 -0.0105 953 ASN 60 HB2 0.0114 -0.0087 -0.0106 954 ASN 60 HD22 0.0084 -0.0067 -0.0132 955 ASN 60 HD21 0.0095 -0.0059 -0.0116 956 SER 61 N 0.0135 -0.0050 -0.0077 957 SER 61 CA 0.0139 -0.0034 -0.0073 958 SER 61 C 0.0125 -0.0041 -0.0075 959 SER 61 O 0.0129 -0.0029 -0.0073 960 SER 61 CB 0.0131 -0.0007 -0.0068 961 SER 61 OG 0.0104 -0.0007 -0.0068 962 SER 61 H 0.0122 -0.0044 -0.0076 963 SER 61 HA 0.0159 -0.0033 -0.0073 964 SER 61 HB3 0.0139 -0.0001 -0.0067 965 SER 61 HB2 0.0135 0.0006 -0.0065 966 SER 61 HG 0.0097 0.0007 -0.0065 967 ARG 62 N 0.0104 -0.0045 -0.0077 968 ARG 62 CA 0.0072 -0.0050 -0.0069 969 ARG 62 C 0.0076 -0.0064 -0.0061 970 ARG 62 O 0.0057 -0.0058 -0.0062 971 ARG 62 CB 0.0052 -0.0068 -0.0055 972 ARG 62 CG 0.0019 -0.0075 -0.0045 973 ARG 62 CD -0.0005 -0.0080 -0.0038 974 ARG 62 NE -0.0024 -0.0053 -0.0052 975 ARG 62 CZ -0.0021 -0.0044 -0.0058 976 ARG 62 NH1 -0.0001 -0.0060 -0.0051 977 ARG 62 NH2 -0.0040 -0.0022 -0.0068 978 ARG 62 H 0.0115 -0.0058 -0.0071 979 ARG 62 HA 0.0058 -0.0030 -0.0079 980 ARG 62 HB3 0.0067 -0.0088 -0.0045 981 ARG 62 HB2 0.0047 -0.0057 -0.0061 982 ARG 62 HG3 0.0010 -0.0057 -0.0055 983 ARG 62 HG2 0.0023 -0.0094 -0.0034 984 ARG 62 HD3 -0.0023 -0.0095 -0.0026 985 ARG 62 HD2 0.0007 -0.0090 -0.0034 986 ARG 62 HE -0.0039 -0.0042 -0.0057 987 ARG 62 HH12 0.0002 -0.0054 -0.0056 988 ARG 62 HH11 0.0010 -0.0078 -0.0042 989 ARG 62 HH22 -0.0037 -0.0016 -0.0073 990 ARG 62 HH21 -0.0059 -0.0013 -0.0071 991 TYR 63 N 0.0059 -0.0073 -0.0059 992 TYR 63 CA 0.0043 -0.0081 -0.0036 993 TYR 63 C 0.0055 -0.0077 -0.0048 994 TYR 63 O 0.0033 -0.0079 -0.0038 995 TYR 63 CB 0.0060 -0.0099 0.0004 996 TYR 63 CG 0.0050 -0.0105 0.0018 997 TYR 63 CD1 0.0009 -0.0105 0.0030 998 TYR 63 CD2 0.0078 -0.0108 0.0020 999 TYR 63 CE1 -0.0002 -0.0110 0.0043 1000 TYR 63 CE2 0.0066 -0.0112 0.0033 1001 TYR 63 CZ 0.0027 -0.0113 0.0044 1002 TYR 63 OH 0.0015 -0.0118 0.0057 1003 TYR 63 H 0.0089 -0.0076 -0.0059 1004 TYR 63 HA 0.0010 -0.0079 -0.0034 1005 TYR 63 HB3 0.0048 -0.0106 0.0023 1006 TYR 63 HB2 0.0093 -0.0102 0.0003 1007 TYR 63 HD1 -0.0013 -0.0103 0.0028 1008 TYR 63 HD2 0.0109 -0.0107 0.0011 1009 TYR 63 HE1 -0.0033 -0.0111 0.0052 1010 TYR 63 HE2 0.0089 -0.0115 0.0034 1011 TYR 63 HH 0.0037 -0.0125 0.0069 1012 ARG 64 N 0.0052 -0.0066 -0.0048 1013 ARG 64 CA 0.0048 -0.0066 -0.0046 1014 ARG 64 C 0.0045 -0.0069 -0.0054 1015 ARG 64 O 0.0037 -0.0071 -0.0053 1016 ARG 64 CB 0.0057 -0.0062 -0.0040 1017 ARG 64 CG 0.0061 -0.0058 -0.0030 1018 ARG 64 CD 0.0071 -0.0056 -0.0031 1019 ARG 64 NE 0.0074 -0.0052 -0.0021 1020 ARG 64 CZ 0.0078 -0.0049 -0.0013 1021 ARG 64 NH1 0.0081 -0.0049 -0.0014 1022 ARG 64 NH2 0.0079 -0.0046 -0.0004 1023 ARG 64 H 0.0058 -0.0065 -0.0053 1024 ARG 64 HA 0.0041 -0.0066 -0.0040 1025 ARG 64 HB2 0.0064 -0.0062 -0.0045 1026 ARG 64 HB3 0.0054 -0.0062 -0.0037 1027 ARG 64 HG2 0.0061 -0.0056 -0.0024 1028 ARG 64 HG3 0.0055 -0.0059 -0.0028 1029 ARG 64 HD2 0.0072 -0.0057 -0.0036 1030 ARG 64 HD3 0.0077 -0.0055 -0.0032 1031 ARG 64 HE 0.0072 -0.0052 -0.0020 1032 ARG 64 HH12 0.0084 -0.0046 -0.0008 1033 ARG 64 HH11 0.0080 -0.0051 -0.0021 1034 ARG 64 HH22 0.0083 -0.0043 0.0002 1035 ARG 64 HH21 0.0077 -0.0046 -0.0004 1036 CYS 65 N 0.0090 0.0011 -0.0057 1037 CYS 65 CA 0.0086 0.0004 -0.0058 1038 CYS 65 C 0.0091 -0.0003 -0.0064 1039 CYS 65 O 0.0098 -0.0001 -0.0067 1040 CYS 65 CB 0.0085 0.0005 -0.0057 1041 CYS 65 SG 0.0094 0.0008 -0.0061 1042 CYS 65 H 0.0096 0.0014 -0.0059 1043 CYS 65 HA 0.0080 0.0002 -0.0056 1044 CYS 65 HB3 0.0081 0.0009 -0.0053 1045 CYS 65 HB2 0.0081 -0.0001 -0.0058 1046 ASN 66 N 0.0112 0.0039 -0.0071 1047 ASN 66 CA 0.0122 0.0044 -0.0036 1048 ASN 66 C 0.0104 0.0028 -0.0013 1049 ASN 66 O 0.0098 0.0024 -0.0016 1050 ASN 66 CB 0.0150 0.0066 -0.0033 1051 ASN 66 CG 0.0162 0.0072 0.0003 1052 ASN 66 OD1 0.0161 0.0070 0.0018 1053 ASN 66 ND2 0.0173 0.0080 0.0014 1054 ASN 66 H 0.0115 0.0042 -0.0083 1055 ASN 66 HA 0.0124 0.0045 -0.0030 1056 ASN 66 HB3 0.0149 0.0065 -0.0040 1057 ASN 66 HB2 0.0163 0.0077 -0.0050 1058 ASN 66 HD22 0.0182 0.0085 0.0038 1059 ASN 66 HD21 0.0174 0.0082 -0.0000 1060 ASP 67 N 0.0221 0.0060 0.0001 1061 ASP 67 CA 0.0204 0.0077 0.0025 1062 ASP 67 C 0.0205 0.0092 0.0045 1063 ASP 67 O 0.0191 0.0107 0.0066 1064 ASP 67 CB 0.0170 0.0073 0.0021 1065 ASP 67 CG 0.0146 0.0064 0.0010 1066 ASP 67 OD1 0.0154 0.0062 0.0008 1067 ASP 67 OD2 0.0118 0.0058 0.0005 1068 ASP 67 H 0.0212 0.0052 -0.0009 1069 ASP 67 HA 0.0218 0.0084 0.0033 1070 ASP 67 HB3 0.0171 0.0064 0.0009 1071 ASP 67 HB2 0.0161 0.0087 0.0040 1072 GLY 68 N 0.0239 0.0145 0.0113 1073 GLY 68 CA 0.0258 0.0175 0.0169 1074 GLY 68 C 0.0153 0.0186 0.0147 1075 GLY 68 O 0.0178 0.0191 0.0166 1076 GLY 68 H 0.0283 0.0092 0.0044 1077 GLY 68 HA3 0.0276 0.0226 0.0258 1078 GLY 68 HA2 0.0347 0.0144 0.0151 1079 LYS 69 N 0.0156 0.0241 0.0049 1080 LYS 69 CA 0.0057 0.0251 0.0057 1081 LYS 69 C 0.0004 0.0170 0.0028 1082 LYS 69 O -0.0078 0.0169 0.0032 1083 LYS 69 CB 0.0028 0.0303 0.0078 1084 LYS 69 CG 0.0050 0.0262 0.0061 1085 LYS 69 CD 0.0006 0.0309 0.0081 1086 LYS 69 CE -0.0003 0.0254 0.0061 1087 LYS 69 NZ 0.0052 0.0291 0.0072 1088 LYS 69 H 0.0184 0.0214 0.0037 1089 LYS 69 HA 0.0042 0.0289 0.0072 1090 LYS 69 HB3 0.0060 0.0366 0.0101 1091 LYS 69 HB2 -0.0045 0.0314 0.0086 1092 LYS 69 HG3 0.0026 0.0196 0.0037 1093 LYS 69 HG2 0.0123 0.0262 0.0058 1094 LYS 69 HD3 0.0046 0.0365 0.0101 1095 LYS 69 HD2 -0.0061 0.0330 0.0093 1096 LYS 69 HE3 -0.0074 0.0249 0.0062 1097 LYS 69 HE2 0.0020 0.0190 0.0035 1098 LYS 69 HZ1 0.0046 0.0253 0.0058 1099 LYS 69 HZ2 0.0029 0.0350 0.0096 1100 LYS 69 HZ3 0.0118 0.0295 0.0071 1101 THR 70 N 0.0048 0.0096 -0.0068 1102 THR 70 CA 0.0027 0.0058 -0.0079 1103 THR 70 C 0.0012 0.0029 -0.0087 1104 THR 70 O 0.0038 0.0015 -0.0080 1105 THR 70 CB 0.0059 0.0029 -0.0071 1106 THR 70 OG1 0.0075 0.0056 -0.0063 1107 THR 70 CG2 0.0037 -0.0008 -0.0083 1108 THR 70 H 0.0078 0.0092 -0.0059 1109 THR 70 HA 0.0001 0.0068 -0.0087 1110 THR 70 HB 0.0085 0.0017 -0.0064 1111 THR 70 HG1 0.0088 0.0081 -0.0057 1112 THR 70 HG21 0.0059 -0.0028 -0.0077 1113 THR 70 HG22 0.0022 -0.0028 -0.0090 1114 THR 70 HG23 0.0013 0.0006 -0.0089 1115 PRO 71 N -0.0092 0.0036 -0.0139 1116 PRO 71 CA -0.0150 0.0001 -0.0133 1117 PRO 71 C -0.0128 -0.0079 -0.0104 1118 PRO 71 O -0.0094 -0.0117 -0.0087 1119 PRO 71 CB -0.0226 0.0001 -0.0142 1120 PRO 71 CG -0.0214 0.0055 -0.0159 1121 PRO 71 CD -0.0126 0.0057 -0.0150 1122 PRO 71 HA -0.0154 0.0033 -0.0145 1123 PRO 71 HB3 -0.0272 0.0020 -0.0154 1124 PRO 71 HB2 -0.0239 -0.0054 -0.0125 1125 PRO 71 HG3 -0.0231 0.0110 -0.0179 1126 PRO 71 HG2 -0.0247 0.0036 -0.0156 1127 PRO 71 HD2 -0.0115 0.0015 -0.0134 1128 PRO 71 HD3 -0.0107 0.0115 -0.0167 1129 GLY 72 N -0.0077 -0.0136 -0.0191 1130 GLY 72 CA -0.0076 -0.0171 -0.0171 1131 GLY 72 C -0.0071 -0.0157 -0.0099 1132 GLY 72 O -0.0070 -0.0159 -0.0084 1133 GLY 72 H -0.0079 -0.0168 -0.0204 1134 GLY 72 HA3 -0.0079 -0.0157 -0.0207 1135 GLY 72 HA2 -0.0077 -0.0226 -0.0178 1136 ALA 73 N 0.0007 -0.0083 -0.0101 1137 ALA 73 CA 0.0040 -0.0086 -0.0078 1138 ALA 73 C 0.0041 -0.0115 -0.0059 1139 ALA 73 O 0.0022 -0.0122 -0.0067 1140 ALA 73 CB 0.0061 -0.0053 -0.0084 1141 ALA 73 H 0.0000 -0.0064 -0.0118 1142 ALA 73 HA 0.0051 -0.0089 -0.0068 1143 ALA 73 HB1 0.0086 -0.0055 -0.0066 1144 ALA 73 HB2 0.0062 -0.0032 -0.0096 1145 ALA 73 HB3 0.0050 -0.0049 -0.0094 1146 VAL 74 N -0.0094 -0.0037 -0.0091 1147 VAL 74 CA -0.0119 -0.0044 -0.0065 1148 VAL 74 C -0.0102 -0.0039 -0.0083 1149 VAL 74 O -0.0134 -0.0039 -0.0080 1150 VAL 74 CB -0.0110 -0.0062 -0.0006 1151 VAL 74 CG1 -0.0129 -0.0070 0.0024 1152 VAL 74 CG2 -0.0137 -0.0065 0.0011 1153 VAL 74 H -0.0055 -0.0042 -0.0082 1154 VAL 74 HA -0.0163 -0.0039 -0.0071 1155 VAL 74 HB -0.0066 -0.0066 -0.0000 1156 VAL 74 HG11 -0.0122 -0.0082 0.0065 1157 VAL 74 HG12 -0.0107 -0.0067 0.0010 1158 VAL 74 HG13 -0.0172 -0.0065 0.0018 1159 VAL 74 HG21 -0.0131 -0.0078 0.0053 1160 VAL 74 HG22 -0.0180 -0.0061 0.0003 1161 VAL 74 HG23 -0.0119 -0.0060 -0.0010 1162 ASN 75 N 0.0017 0.0033 -0.0021 1163 ASN 75 CA 0.0027 0.0034 -0.0036 1164 ASN 75 C 0.0036 0.0032 -0.0051 1165 ASN 75 O 0.0045 0.0043 -0.0061 1166 ASN 75 CB 0.0031 0.0052 -0.0036 1167 ASN 75 CG 0.0039 0.0051 -0.0049 1168 ASN 75 OD1 0.0041 0.0035 -0.0058 1169 ASN 75 ND2 0.0044 0.0066 -0.0052 1170 ASN 75 H 0.0010 0.0023 -0.0014 1171 ASN 75 HA 0.0025 0.0022 -0.0038 1172 ASN 75 HB3 0.0035 0.0064 -0.0038 1173 ASN 75 HB2 0.0024 0.0056 -0.0024 1174 ASN 75 HD22 0.0050 0.0065 -0.0061 1175 ASN 75 HD21 0.0043 0.0078 -0.0044 1176 ALA 76 N -0.0093 -0.0041 -0.0038 1177 ALA 76 CA -0.0090 -0.0048 -0.0031 1178 ALA 76 C -0.0067 -0.0051 -0.0055 1179 ALA 76 O -0.0068 -0.0049 -0.0058 1180 ALA 76 CB -0.0088 -0.0070 -0.0000 1181 ALA 76 H -0.0089 -0.0053 -0.0025 1182 ALA 76 HA -0.0110 -0.0032 -0.0030 1183 ALA 76 HB1 -0.0087 -0.0074 0.0005 1184 ALA 76 HB2 -0.0107 -0.0065 0.0016 1185 ALA 76 HB3 -0.0070 -0.0085 0.0000 1186 CYS 77 N -0.0068 -0.0009 -0.0072 1187 CYS 77 CA -0.0065 -0.0012 -0.0085 1188 CYS 77 C -0.0074 -0.0007 -0.0102 1189 CYS 77 O -0.0073 -0.0008 -0.0115 1190 CYS 77 CB -0.0050 -0.0024 -0.0090 1191 CYS 77 SG -0.0039 -0.0031 -0.0072 1192 CYS 77 H -0.0062 -0.0014 -0.0070 1193 CYS 77 HA -0.0068 -0.0010 -0.0080 1194 CYS 77 HB3 -0.0048 -0.0026 -0.0102 1195 CYS 77 HB2 -0.0046 -0.0027 -0.0092 1196 HIS 78 N -0.0059 0.0096 -0.0170 1197 HIS 78 CA -0.0038 0.0170 -0.0185 1198 HIS 78 C -0.0039 0.0126 -0.0223 1199 HIS 78 O -0.0015 0.0152 -0.0294 1200 HIS 78 CB -0.0005 0.0251 -0.0244 1201 HIS 78 CG -0.0005 0.0304 -0.0194 1202 HIS 78 ND1 -0.0006 0.0282 -0.0213 1203 HIS 78 CD2 -0.0005 0.0378 -0.0126 1204 HIS 78 CE1 -0.0006 0.0340 -0.0157 1205 HIS 78 NE2 -0.0006 0.0400 -0.0104 1206 HIS 78 H -0.0076 0.0095 -0.0104 1207 HIS 78 HA -0.0049 0.0204 -0.0113 1208 HIS 78 HB3 0.0011 0.0303 -0.0257 1209 HIS 78 HB2 0.0007 0.0220 -0.0315 1210 HIS 78 HD1 -0.0005 0.0227 -0.0263 1211 HIS 78 HD2 -0.0005 0.0408 -0.0099 1212 HIS 78 HE1 -0.0007 0.0332 -0.0162 1213 LEU 79 N -0.0081 0.0042 -0.0055 1214 LEU 79 CA -0.0088 0.0016 -0.0064 1215 LEU 79 C -0.0048 -0.0012 -0.0073 1216 LEU 79 O -0.0012 0.0001 -0.0068 1217 LEU 79 CB -0.0087 0.0046 -0.0054 1218 LEU 79 CG -0.0123 0.0057 -0.0050 1219 LEU 79 CD1 -0.0111 0.0077 -0.0044 1220 LEU 79 CD2 -0.0160 0.0028 -0.0060 1221 LEU 79 H -0.0051 0.0051 -0.0052 1222 LEU 79 HA -0.0117 -0.0001 -0.0069 1223 LEU 79 HB3 -0.0061 0.0036 -0.0057 1224 LEU 79 HB2 -0.0070 0.0073 -0.0045 1225 LEU 79 HG -0.0137 0.0082 -0.0042 1226 LEU 79 HD11 -0.0140 0.0084 -0.0042 1227 LEU 79 HD12 -0.0093 0.0105 -0.0035 1228 LEU 79 HD13 -0.0092 0.0056 -0.0051 1229 LEU 79 HD21 -0.0184 0.0042 -0.0055 1230 LEU 79 HD22 -0.0148 -0.0000 -0.0069 1231 LEU 79 HD23 -0.0173 0.0021 -0.0062 1232 SER 80 N -0.0080 0.0021 -0.0060 1233 SER 80 CA -0.0038 -0.0011 -0.0072 1234 SER 80 C -0.0013 0.0008 -0.0063 1235 SER 80 O -0.0039 0.0022 -0.0058 1236 SER 80 CB -0.0059 -0.0060 -0.0094 1237 SER 80 OG -0.0021 -0.0090 -0.0105 1238 SER 80 H -0.0116 0.0010 -0.0067 1239 SER 80 HA -0.0010 -0.0012 -0.0072 1240 SER 80 HB3 -0.0091 -0.0057 -0.0095 1241 SER 80 HB2 -0.0073 -0.0075 -0.0101 1242 SER 80 HG 0.0006 -0.0094 -0.0106 1243 CYS 81 N 0.0076 0.0005 -0.0030 1244 CYS 81 CA 0.0091 0.0019 -0.0027 1245 CYS 81 C 0.0078 0.0001 -0.0032 1246 CYS 81 O 0.0078 0.0014 -0.0027 1247 CYS 81 CB 0.0130 0.0020 -0.0029 1248 CYS 81 SG 0.0148 0.0044 -0.0022 1249 CYS 81 H 0.0091 -0.0003 -0.0034 1250 CYS 81 HA 0.0083 0.0044 -0.0018 1251 CYS 81 HB3 0.0139 0.0028 -0.0027 1252 CYS 81 HB2 0.0139 -0.0005 -0.0038 1253 SER 82 N 0.0022 -0.0024 -0.0046 1254 SER 82 CA -0.0001 -0.0066 -0.0068 1255 SER 82 C -0.0069 -0.0031 -0.0044 1256 SER 82 O -0.0071 -0.0039 -0.0048 1257 SER 82 CB -0.0022 -0.0145 -0.0111 1258 SER 82 OG -0.0099 -0.0151 -0.0109 1259 SER 82 H 0.0017 -0.0049 -0.0059 1260 SER 82 HA 0.0055 -0.0066 -0.0071 1261 SER 82 HB3 0.0026 -0.0167 -0.0126 1262 SER 82 HB2 -0.0025 -0.0178 -0.0129 1263 SER 82 HG -0.0094 -0.0134 -0.0100 1264 ALA 83 N -0.0087 -0.0017 -0.0055 1265 ALA 83 CA -0.0131 0.0009 -0.0037 1266 ALA 83 C -0.0107 0.0049 -0.0019 1267 ALA 83 O -0.0138 0.0065 -0.0007 1268 ALA 83 CB -0.0168 0.0032 -0.0021 1269 ALA 83 H -0.0083 -0.0015 -0.0054 1270 ALA 83 HA -0.0156 -0.0017 -0.0049 1271 ALA 83 HB1 -0.0201 0.0052 -0.0008 1272 ALA 83 HB2 -0.0187 0.0003 -0.0034 1273 ALA 83 HB3 -0.0144 0.0059 -0.0010 1274 LEU 84 N -0.0001 0.0025 0.0022 1275 LEU 84 CA 0.0012 0.0054 0.0028 1276 LEU 84 C 0.0026 0.0060 0.0020 1277 LEU 84 O 0.0038 0.0084 0.0023 1278 LEU 84 CB 0.0029 0.0064 0.0020 1279 LEU 84 CG 0.0018 0.0060 0.0026 1280 LEU 84 CD1 0.0036 0.0068 0.0016 1281 LEU 84 CD2 -0.0003 0.0072 0.0050 1282 LEU 84 H 0.0009 0.0014 0.0008 1283 LEU 84 HA -0.0002 0.0065 0.0045 1284 LEU 84 HB3 0.0039 0.0086 0.0024 1285 LEU 84 HB2 0.0044 0.0055 0.0003 1286 LEU 84 HG 0.0009 0.0037 0.0021 1287 LEU 84 HD11 0.0027 0.0065 0.0022 1288 LEU 84 HD12 0.0049 0.0056 -0.0001 1289 LEU 84 HD13 0.0046 0.0090 0.0020 1290 LEU 84 HD21 -0.0010 0.0068 0.0053 1291 LEU 84 HD22 0.0004 0.0095 0.0056 1292 LEU 84 HD23 -0.0017 0.0063 0.0056 1293 LEU 85 N 0.0042 0.0076 0.0041 1294 LEU 85 CA 0.0060 0.0046 0.0030 1295 LEU 85 C 0.0030 0.0029 0.0010 1296 LEU 85 O 0.0040 0.0001 -0.0002 1297 LEU 85 CB 0.0086 0.0018 0.0024 1298 LEU 85 CG 0.0119 0.0032 0.0043 1299 LEU 85 CD1 0.0140 0.0004 0.0035 1300 LEU 85 CD2 0.0147 0.0044 0.0060 1301 LEU 85 H 0.0027 0.0070 0.0032 1302 LEU 85 HA 0.0078 0.0056 0.0042 1303 LEU 85 HB3 0.0097 -0.0005 0.0015 1304 LEU 85 HB2 0.0068 0.0008 0.0012 1305 LEU 85 HG 0.0107 0.0055 0.0052 1306 LEU 85 HD11 0.0164 0.0014 0.0049 1307 LEU 85 HD12 0.0120 -0.0002 0.0024 1308 LEU 85 HD13 0.0151 -0.0020 0.0025 1309 LEU 85 HD21 0.0170 0.0054 0.0073 1310 LEU 85 HD22 0.0159 0.0022 0.0052 1311 LEU 85 HD23 0.0132 0.0066 0.0067 1312 GLN 86 N -0.0058 0.0019 -0.0061 1313 GLN 86 CA -0.0102 0.0003 -0.0072 1314 GLN 86 C -0.0088 0.0034 -0.0047 1315 GLN 86 O -0.0063 0.0075 -0.0014 1316 GLN 86 CB -0.0173 0.0013 -0.0060 1317 GLN 86 CG -0.0199 -0.0021 -0.0086 1318 GLN 86 CD -0.0268 -0.0006 -0.0071 1319 GLN 86 OE1 -0.0315 -0.0028 -0.0086 1320 GLN 86 NE2 -0.0276 0.0028 -0.0042 1321 GLN 86 H -0.0077 0.0041 -0.0042 1322 GLN 86 HA -0.0097 -0.0037 -0.0105 1323 GLN 86 HB3 -0.0204 0.0008 -0.0063 1324 GLN 86 HB2 -0.0177 0.0052 -0.0028 1325 GLN 86 HG3 -0.0168 -0.0016 -0.0084 1326 GLN 86 HG2 -0.0199 -0.0060 -0.0118 1327 GLN 86 HE22 -0.0322 0.0038 -0.0032 1328 GLN 86 HE21 -0.0238 0.0046 -0.0030 1329 ASP 87 N -0.0126 0.0032 -0.0112 1330 ASP 87 CA -0.0099 0.0030 -0.0096 1331 ASP 87 C -0.0152 0.0079 -0.0060 1332 ASP 87 O -0.0126 0.0097 -0.0015 1333 ASP 87 CB -0.0093 -0.0017 -0.0161 1334 ASP 87 CG -0.0026 -0.0067 -0.0189 1335 ASP 87 OD1 0.0026 -0.0069 -0.0155 1336 ASP 87 OD2 -0.0023 -0.0106 -0.0244 1337 ASP 87 H -0.0150 0.0009 -0.0162 1338 ASP 87 HA -0.0043 0.0027 -0.0061 1339 ASP 87 HB3 -0.0096 -0.0010 -0.0152 1340 ASP 87 HB2 -0.0145 -0.0020 -0.0201 1341 ASN 88 N -0.0153 0.0035 -0.0050 1342 ASN 88 CA -0.0194 0.0059 -0.0016 1343 ASN 88 C -0.0187 0.0082 0.0010 1344 ASN 88 O -0.0187 0.0069 -0.0006 1345 ASN 88 CB -0.0248 0.0038 -0.0036 1346 ASN 88 CG -0.0293 0.0061 -0.0004 1347 ASN 88 OD1 -0.0302 0.0083 0.0023 1348 ASN 88 ND2 -0.0319 0.0057 -0.0006 1349 ASN 88 H -0.0164 0.0011 -0.0078 1350 ASN 88 HA -0.0191 0.0075 0.0002 1351 ASN 88 HB3 -0.0253 0.0026 -0.0051 1352 ASN 88 HB2 -0.0250 0.0019 -0.0059 1353 ASN 88 HD22 -0.0349 0.0071 0.0014 1354 ASN 88 HD21 -0.0308 0.0039 -0.0029 1355 ILE 89 N -0.0120 0.0118 0.0059 1356 ILE 89 CA -0.0127 0.0120 0.0080 1357 ILE 89 C -0.0149 0.0126 0.0091 1358 ILE 89 O -0.0155 0.0128 0.0111 1359 ILE 89 CB -0.0106 0.0115 0.0098 1360 ILE 89 CG1 -0.0101 0.0114 0.0109 1361 ILE 89 CG2 -0.0085 0.0110 0.0087 1362 ILE 89 CD1 -0.0082 0.0110 0.0130 1363 ILE 89 H -0.0112 0.0116 0.0061 1364 ILE 89 HA -0.0130 0.0121 0.0074 1365 ILE 89 HB -0.0112 0.0117 0.0113 1366 ILE 89 HG13 -0.0117 0.0118 0.0116 1367 ILE 89 HG12 -0.0094 0.0112 0.0095 1368 ILE 89 HG21 -0.0071 0.0107 0.0100 1369 ILE 89 HG22 -0.0090 0.0111 0.0081 1370 ILE 89 HG23 -0.0080 0.0108 0.0071 1371 ILE 89 HD11 -0.0079 0.0109 0.0137 1372 ILE 89 HD12 -0.0089 0.0112 0.0144 1373 ILE 89 HD13 -0.0066 0.0106 0.0123 1374 ALA 90 N -0.0186 0.0089 0.0102 1375 ALA 90 CA -0.0206 0.0094 0.0112 1376 ALA 90 C -0.0199 0.0090 0.0107 1377 ALA 90 O -0.0202 0.0104 0.0119 1378 ALA 90 CB -0.0234 0.0080 0.0111 1379 ALA 90 H -0.0191 0.0077 0.0095 1380 ALA 90 HA -0.0207 0.0112 0.0126 1381 ALA 90 HB1 -0.0249 0.0085 0.0119 1382 ALA 90 HB2 -0.0239 0.0084 0.0115 1383 ALA 90 HB3 -0.0233 0.0062 0.0097 1384 ASP 91 N -0.0202 0.0107 0.0072 1385 ASP 91 CA -0.0203 0.0102 0.0067 1386 ASP 91 C -0.0162 0.0125 0.0086 1387 ASP 91 O -0.0170 0.0138 0.0105 1388 ASP 91 CB -0.0202 0.0069 0.0024 1389 ASP 91 CG -0.0250 0.0047 0.0006 1390 ASP 91 OD1 -0.0290 0.0055 0.0027 1391 ASP 91 OD2 -0.0247 0.0019 -0.0030 1392 ASP 91 H -0.0193 0.0090 0.0048 1393 ASP 91 HA -0.0238 0.0108 0.0083 1394 ASP 91 HB3 -0.0194 0.0068 0.0020 1395 ASP 91 HB2 -0.0172 0.0061 0.0006 1396 ALA 92 N -0.0097 0.0092 0.0092 1397 ALA 92 CA -0.0083 0.0102 0.0095 1398 ALA 92 C -0.0088 0.0112 0.0114 1399 ALA 92 O -0.0085 0.0116 0.0117 1400 ALA 92 CB -0.0066 0.0109 0.0090 1401 ALA 92 H -0.0094 0.0091 0.0088 1402 ALA 92 HA -0.0082 0.0098 0.0087 1403 ALA 92 HB1 -0.0056 0.0116 0.0093 1404 ALA 92 HB2 -0.0062 0.0102 0.0077 1405 ALA 92 HB3 -0.0067 0.0113 0.0098 1406 VAL 93 N -0.0108 0.0075 0.0125 1407 VAL 93 CA -0.0101 0.0057 0.0122 1408 VAL 93 C -0.0096 0.0042 0.0119 1409 VAL 93 O -0.0100 0.0027 0.0110 1410 VAL 93 CB -0.0086 0.0059 0.0131 1411 VAL 93 CG1 -0.0076 0.0040 0.0129 1412 VAL 93 CG2 -0.0093 0.0069 0.0131 1413 VAL 93 H -0.0101 0.0085 0.0133 1414 VAL 93 HA -0.0111 0.0053 0.0114 1415 VAL 93 HB -0.0078 0.0067 0.0139 1416 VAL 93 HG11 -0.0066 0.0042 0.0136 1417 VAL 93 HG12 -0.0071 0.0033 0.0130 1418 VAL 93 HG13 -0.0085 0.0033 0.0122 1419 VAL 93 HG21 -0.0083 0.0071 0.0138 1420 VAL 93 HG22 -0.0102 0.0062 0.0123 1421 VAL 93 HG23 -0.0100 0.0083 0.0132 1422 ALA 94 N -0.0117 0.0057 0.0110 1423 ALA 94 CA -0.0118 0.0029 0.0107 1424 ALA 94 C -0.0118 0.0023 0.0078 1425 ALA 94 O -0.0119 0.0008 0.0072 1426 ALA 94 CB -0.0119 0.0011 0.0117 1427 ALA 94 H -0.0117 0.0061 0.0117 1428 ALA 94 HA -0.0118 0.0025 0.0120 1429 ALA 94 HB1 -0.0119 -0.0010 0.0115 1430 ALA 94 HB2 -0.0119 0.0015 0.0138 1431 ALA 94 HB3 -0.0119 0.0015 0.0105 1432 CYS 95 N -0.0066 0.0020 0.0050 1433 CYS 95 CA -0.0063 0.0016 0.0022 1434 CYS 95 C -0.0059 0.0033 0.0015 1435 CYS 95 O -0.0059 0.0024 0.0001 1436 CYS 95 CB -0.0060 0.0018 0.0003 1437 CYS 95 SG -0.0056 0.0012 -0.0033 1438 CYS 95 H -0.0065 0.0029 0.0055 1439 CYS 95 HA -0.0065 -0.0005 0.0020 1440 CYS 95 HB3 -0.0057 0.0039 0.0006 1441 CYS 95 HB2 -0.0063 0.0005 0.0010 1442 ALA 96 N -0.0025 0.0025 0.0050 1443 ALA 96 CA -0.0027 0.0030 0.0044 1444 ALA 96 C -0.0024 0.0011 0.0052 1445 ALA 96 O -0.0028 0.0005 0.0040 1446 ALA 96 CB -0.0024 0.0052 0.0053 1447 ALA 96 H -0.0021 0.0036 0.0061 1448 ALA 96 HA -0.0033 0.0030 0.0027 1449 ALA 96 HB1 -0.0026 0.0055 0.0048 1450 ALA 96 HB2 -0.0026 0.0066 0.0047 1451 ALA 96 HB3 -0.0018 0.0052 0.0071 1452 LYS 97 N -0.0078 -0.0027 0.0033 1453 LYS 97 CA -0.0073 -0.0045 0.0035 1454 LYS 97 C -0.0079 -0.0059 0.0025 1455 LYS 97 O -0.0081 -0.0073 0.0020 1456 LYS 97 CB -0.0059 -0.0048 0.0050 1457 LYS 97 CG -0.0052 -0.0038 0.0061 1458 LYS 97 CD -0.0038 -0.0040 0.0075 1459 LYS 97 CE -0.0031 -0.0031 0.0086 1460 LYS 97 NZ -0.0018 -0.0032 0.0100 1461 LYS 97 H -0.0073 -0.0018 0.0040 1462 LYS 97 HA -0.0073 -0.0047 0.0034 1463 LYS 97 HB3 -0.0055 -0.0062 0.0052 1464 LYS 97 HB2 -0.0058 -0.0043 0.0053 1465 LYS 97 HG3 -0.0055 -0.0024 0.0059 1466 LYS 97 HG2 -0.0052 -0.0044 0.0059 1467 LYS 97 HD3 -0.0035 -0.0054 0.0077 1468 LYS 97 HD2 -0.0038 -0.0033 0.0077 1469 LYS 97 HE3 -0.0035 -0.0017 0.0084 1470 LYS 97 HE2 -0.0030 -0.0039 0.0085 1471 LYS 97 HZ1 -0.0014 -0.0022 0.0107 1472 LYS 97 HZ2 -0.0018 -0.0030 0.0100 1473 LYS 97 HZ3 -0.0013 -0.0044 0.0103 1474 ARG 98 N -0.0060 -0.0064 0.0038 1475 ARG 98 CA -0.0072 -0.0094 0.0012 1476 ARG 98 C -0.0076 -0.0085 -0.0020 1477 ARG 98 O -0.0084 -0.0110 -0.0029 1478 ARG 98 CB -0.0079 -0.0105 -0.0005 1479 ARG 98 CG -0.0092 -0.0132 -0.0038 1480 ARG 98 CD -0.0099 -0.0171 -0.0026 1481 ARG 98 NE -0.0112 -0.0195 -0.0060 1482 ARG 98 CZ -0.0117 -0.0198 -0.0081 1483 ARG 98 NH1 -0.0110 -0.0176 -0.0076 1484 ARG 98 NH2 -0.0128 -0.0223 -0.0109 1485 ARG 98 H -0.0056 -0.0051 0.0040 1486 ARG 98 HA -0.0076 -0.0119 0.0029 1487 ARG 98 HB3 -0.0074 -0.0079 -0.0015 1488 ARG 98 HB2 -0.0078 -0.0118 0.0018 1489 ARG 98 HG3 -0.0092 -0.0119 -0.0061 1490 ARG 98 HG2 -0.0095 -0.0135 -0.0052 1491 ARG 98 HD3 -0.0099 -0.0186 -0.0006 1492 ARG 98 HD2 -0.0096 -0.0169 -0.0011 1493 ARG 98 HE -0.0117 -0.0210 -0.0067 1494 ARG 98 HH12 -0.0114 -0.0179 -0.0093 1495 ARG 98 HH11 -0.0101 -0.0156 -0.0055 1496 ARG 98 HH22 -0.0132 -0.0226 -0.0126 1497 ARG 98 HH21 -0.0133 -0.0239 -0.0113 1498 VAL 99 N -0.0013 -0.0051 -0.0003 1499 VAL 99 CA 0.0000 -0.0041 -0.0012 1500 VAL 99 C -0.0000 -0.0030 0.0004 1501 VAL 99 O 0.0001 -0.0031 0.0002 1502 VAL 99 CB 0.0016 -0.0028 -0.0022 1503 VAL 99 CG1 0.0030 -0.0016 -0.0028 1504 VAL 99 CG2 0.0018 -0.0038 -0.0040 1505 VAL 99 H -0.0011 -0.0049 -0.0005 1506 VAL 99 HA -0.0002 -0.0051 -0.0024 1507 VAL 99 HB 0.0017 -0.0019 -0.0010 1508 VAL 99 HG11 0.0041 -0.0007 -0.0035 1509 VAL 99 HG12 0.0029 -0.0008 -0.0015 1510 VAL 99 HG13 0.0029 -0.0024 -0.0040 1511 VAL 99 HG21 0.0029 -0.0028 -0.0047 1512 VAL 99 HG22 0.0016 -0.0047 -0.0052 1513 VAL 99 HG23 0.0008 -0.0046 -0.0035 1514 VAL 100 N -0.0022 -0.0046 -0.0009 1515 VAL 100 CA -0.0020 -0.0033 0.0016 1516 VAL 100 C -0.0044 -0.0031 0.0030 1517 VAL 100 O -0.0043 -0.0020 0.0052 1518 VAL 100 CB -0.0006 -0.0026 0.0024 1519 VAL 100 CG1 0.0019 -0.0027 0.0011 1520 VAL 100 CG2 -0.0022 -0.0030 0.0024 1521 VAL 100 H -0.0024 -0.0050 -0.0016 1522 VAL 100 HA -0.0007 -0.0029 0.0018 1523 VAL 100 HB -0.0003 -0.0017 0.0042 1524 VAL 100 HG11 0.0028 -0.0022 0.0018 1525 VAL 100 HG12 0.0031 -0.0023 0.0014 1526 VAL 100 HG13 0.0017 -0.0037 -0.0007 1527 VAL 100 HG21 -0.0012 -0.0024 0.0030 1528 VAL 100 HG22 -0.0027 -0.0040 0.0007 1529 VAL 100 HG23 -0.0039 -0.0028 0.0035 1530 ARG 101 N -0.0117 -0.0042 0.0043 1531 ARG 101 CA -0.0142 -0.0057 0.0058 1532 ARG 101 C -0.0141 -0.0062 0.0047 1533 ARG 101 O -0.0156 -0.0069 0.0062 1534 ARG 101 CB -0.0166 -0.0081 0.0056 1535 ARG 101 CG -0.0174 -0.0077 0.0080 1536 ARG 101 CD -0.0201 -0.0099 0.0085 1537 ARG 101 NE -0.0206 -0.0119 0.0055 1538 ARG 101 CZ -0.0203 -0.0121 0.0044 1539 ARG 101 NH1 -0.0191 -0.0104 0.0058 1540 ARG 101 NH2 -0.0211 -0.0141 0.0019 1541 ARG 101 H -0.0118 -0.0051 0.0025 1542 ARG 101 HA -0.0143 -0.0046 0.0084 1543 ARG 101 HB3 -0.0183 -0.0094 0.0062 1544 ARG 101 HB2 -0.0164 -0.0091 0.0032 1545 ARG 101 HG3 -0.0160 -0.0068 0.0071 1546 ARG 101 HG2 -0.0171 -0.0063 0.0103 1547 ARG 101 HD3 -0.0205 -0.0094 0.0103 1548 ARG 101 HD2 -0.0216 -0.0108 0.0096 1549 ARG 101 HE -0.0211 -0.0130 0.0042 1550 ARG 101 HH12 -0.0190 -0.0106 0.0049 1551 ARG 101 HH11 -0.0184 -0.0088 0.0076 1552 ARG 101 HH22 -0.0209 -0.0143 0.0011 1553 ARG 101 HH21 -0.0219 -0.0154 0.0008 1554 ASP 102 N -0.0133 -0.0088 0.0032 1555 ASP 102 CA -0.0102 -0.0075 0.0036 1556 ASP 102 C -0.0073 -0.0024 0.0076 1557 ASP 102 O -0.0063 -0.0006 0.0090 1558 ASP 102 CB -0.0054 -0.0104 -0.0006 1559 ASP 102 CG -0.0081 -0.0149 -0.0042 1560 ASP 102 OD1 -0.0137 -0.0160 -0.0036 1561 ASP 102 OD2 -0.0045 -0.0173 -0.0076 1562 ASP 102 H -0.0113 -0.0106 0.0009 1563 ASP 102 HA -0.0135 -0.0079 0.0041 1564 ASP 102 HB3 -0.0017 -0.0085 0.0001 1565 ASP 102 HB2 -0.0034 -0.0111 -0.0019 1566 PRO 103 N -0.0113 0.0029 0.0114 1567 PRO 103 CA -0.0069 0.0143 0.0175 1568 PRO 103 C 0.0017 -0.0009 0.0209 1569 PRO 103 O -0.0033 0.0041 0.0181 1570 PRO 103 CB 0.0060 0.0312 0.0318 1571 PRO 103 CG 0.0004 0.0364 0.0285 1572 PRO 103 CD -0.0053 0.0141 0.0188 1573 PRO 103 HA -0.0196 0.0243 0.0097 1574 PRO 103 HB3 0.0035 0.0471 0.0335 1575 PRO 103 HB2 0.0203 0.0227 0.0413 1576 PRO 103 HG3 -0.0116 0.0499 0.0221 1577 PRO 103 HG2 0.0123 0.0404 0.0390 1578 PRO 103 HD2 0.0067 0.0035 0.0259 1579 PRO 103 HD3 -0.0171 0.0182 0.0103 1580 GLN 104 N 0.0075 -0.0009 0.0065 1581 GLN 104 CA 0.0098 0.0003 0.0063 1582 GLN 104 C 0.0099 0.0008 0.0069 1583 GLN 104 O 0.0116 0.0020 0.0074 1584 GLN 104 CB 0.0111 -0.0006 0.0038 1585 GLN 104 CG 0.0126 -0.0003 0.0029 1586 GLN 104 CD 0.0142 -0.0010 0.0007 1587 GLN 104 OE1 0.0162 -0.0001 0.0002 1588 GLN 104 NE2 0.0133 -0.0024 -0.0007 1589 GLN 104 H 0.0070 -0.0021 0.0052 1590 GLN 104 HA 0.0107 0.0013 0.0072 1591 GLN 104 HB3 0.0120 -0.0004 0.0034 1592 GLN 104 HB2 0.0099 -0.0019 0.0029 1593 GLN 104 HG3 0.0116 -0.0009 0.0029 1594 GLN 104 HG2 0.0136 0.0010 0.0041 1595 GLN 104 HE22 0.0142 -0.0028 -0.0022 1596 GLN 104 HE21 0.0117 -0.0030 -0.0002 1597 GLY 105 N 0.0067 -0.0016 0.0051 1598 GLY 105 CA 0.0081 -0.0018 0.0043 1599 GLY 105 C 0.0100 -0.0021 0.0029 1600 GLY 105 O 0.0098 -0.0021 0.0015 1601 GLY 105 H 0.0051 -0.0013 0.0046 1602 GLY 105 HA3 0.0087 -0.0019 0.0058 1603 GLY 105 HA2 0.0071 -0.0017 0.0034 1604 ILE 106 N 0.0109 -0.0001 -0.0001 1605 ILE 106 CA 0.0107 0.0006 -0.0000 1606 ILE 106 C 0.0096 0.0005 -0.0001 1607 ILE 106 O 0.0092 0.0012 -0.0001 1608 ILE 106 CB 0.0113 0.0004 0.0000 1609 ILE 106 CG1 0.0112 0.0012 0.0001 1610 ILE 106 CG2 0.0111 -0.0005 -0.0002 1611 ILE 106 CD1 0.0121 0.0013 0.0002 1612 ILE 106 H 0.0113 -0.0007 -0.0002 1613 ILE 106 HA 0.0108 0.0013 0.0001 1614 ILE 106 HB 0.0120 0.0004 0.0001 1615 ILE 106 HG13 0.0111 0.0019 0.0002 1616 ILE 106 HG12 0.0106 0.0011 0.0001 1617 ILE 106 HG21 0.0116 -0.0006 -0.0001 1618 ILE 106 HG22 0.0113 -0.0011 -0.0002 1619 ILE 106 HG23 0.0104 -0.0006 -0.0002 1620 ILE 106 HD11 0.0120 0.0019 0.0003 1621 ILE 106 HD12 0.0127 0.0015 0.0003 1622 ILE 106 HD13 0.0122 0.0007 0.0001 1623 ARG 107 N 0.0081 -0.0052 0.0006 1624 ARG 107 CA 0.0023 -0.0047 -0.0018 1625 ARG 107 C -0.0007 -0.0009 -0.0029 1626 ARG 107 O -0.0055 0.0005 -0.0048 1627 ARG 107 CB -0.0001 -0.0108 -0.0033 1628 ARG 107 CG 0.0021 -0.0143 -0.0026 1629 ARG 107 CD 0.0000 -0.0206 -0.0039 1630 ARG 107 NE 0.0035 -0.0242 -0.0027 1631 ARG 107 CZ 0.0088 -0.0240 -0.0004 1632 ARG 107 NH1 0.0112 -0.0238 0.0007 1633 ARG 107 NH2 0.0119 -0.0241 0.0009 1634 ARG 107 H 0.0098 -0.0090 0.0011 1635 ARG 107 HA 0.0019 -0.0028 -0.0019 1636 ARG 107 HB3 -0.0044 -0.0104 -0.0052 1637 ARG 107 HB2 0.0009 -0.0132 -0.0030 1638 ARG 107 HG3 0.0065 -0.0145 -0.0007 1639 ARG 107 HG2 0.0009 -0.0121 -0.0030 1640 ARG 107 HD3 -0.0041 -0.0205 -0.0057 1641 ARG 107 HD2 0.0003 -0.0224 -0.0040 1642 ARG 107 HE 0.0017 -0.0267 -0.0037 1643 ARG 107 HH12 0.0152 -0.0237 0.0024 1644 ARG 107 HH11 0.0089 -0.0238 -0.0003 1645 ARG 107 HH22 0.0159 -0.0240 0.0027 1646 ARG 107 HH21 0.0102 -0.0242 0.0002 1647 ALA 108 N 0.0082 0.0004 -0.0016 1648 ALA 108 CA 0.0076 0.0011 -0.0021 1649 ALA 108 C 0.0066 0.0039 -0.0024 1650 ALA 108 O 0.0055 0.0046 -0.0035 1651 ALA 108 CB 0.0090 0.0005 -0.0005 1652 ALA 108 H 0.0094 -0.0004 -0.0003 1653 ALA 108 HA 0.0068 -0.0000 -0.0037 1654 ALA 108 HB1 0.0085 0.0010 -0.0010 1655 ALA 108 HB2 0.0096 -0.0015 -0.0005 1656 ALA 108 HB3 0.0099 0.0016 0.0010 1657 TRP 109 N 0.0078 0.0083 -0.0016 1658 TRP 109 CA 0.0074 0.0097 -0.0017 1659 TRP 109 C 0.0070 0.0108 -0.0029 1660 TRP 109 O 0.0068 0.0114 -0.0027 1661 TRP 109 CB 0.0072 0.0104 -0.0000 1662 TRP 109 CG 0.0075 0.0096 0.0013 1663 TRP 109 CD1 0.0074 0.0098 0.0015 1664 TRP 109 CD2 0.0079 0.0086 0.0025 1665 TRP 109 NE1 0.0077 0.0090 0.0029 1666 TRP 109 CE2 0.0080 0.0083 0.0035 1667 TRP 109 CE3 0.0081 0.0080 0.0029 1668 TRP 109 CZ2 0.0084 0.0073 0.0048 1669 TRP 109 CZ3 0.0084 0.0071 0.0042 1670 TRP 109 CH2 0.0086 0.0067 0.0052 1671 TRP 109 H 0.0078 0.0082 -0.0009 1672 TRP 109 HA 0.0074 0.0094 -0.0021 1673 TRP 109 HB3 0.0068 0.0116 -0.0001 1674 TRP 109 HB2 0.0071 0.0106 0.0004 1675 TRP 109 HD1 0.0072 0.0105 0.0008 1676 TRP 109 HE1 0.0078 0.0090 0.0033 1677 TRP 109 HE3 0.0079 0.0083 0.0022 1678 TRP 109 HZ2 0.0085 0.0070 0.0056 1679 TRP 109 HZ3 0.0086 0.0066 0.0045 1680 TRP 109 HH2 0.0088 0.0060 0.0062 1681 VAL 110 N -0.0056 0.0183 -0.0104 1682 VAL 110 CA -0.0119 0.0141 -0.0119 1683 VAL 110 C -0.0030 0.0183 -0.0095 1684 VAL 110 O -0.0032 0.0102 -0.0080 1685 VAL 110 CB -0.0264 0.0184 -0.0179 1686 VAL 110 CG1 -0.0354 0.0155 -0.0206 1687 VAL 110 CG2 -0.0269 0.0328 -0.0209 1688 VAL 110 H -0.0101 0.0248 -0.0133 1689 VAL 110 HA -0.0126 0.0025 -0.0099 1690 VAL 110 HB -0.0305 0.0112 -0.0180 1691 VAL 110 HG11 -0.0455 0.0189 -0.0249 1692 VAL 110 HG12 -0.0360 0.0041 -0.0187 1693 VAL 110 HG13 -0.0313 0.0213 -0.0202 1694 VAL 110 HG21 -0.0375 0.0353 -0.0252 1695 VAL 110 HG22 -0.0217 0.0407 -0.0205 1696 VAL 110 HG23 -0.0220 0.0329 -0.0191 1697 ALA 111 N 0.0049 0.0149 0.0005 1698 ALA 111 CA 0.0043 0.0157 0.0008 1699 ALA 111 C 0.0057 0.0139 0.0001 1700 ALA 111 O 0.0047 0.0137 -0.0005 1701 ALA 111 CB 0.0051 0.0180 0.0028 1702 ALA 111 H 0.0057 0.0160 0.0015 1703 ALA 111 HA 0.0021 0.0159 0.0002 1704 ALA 111 HB1 0.0046 0.0185 0.0030 1705 ALA 111 HB2 0.0040 0.0193 0.0033 1706 ALA 111 HB3 0.0072 0.0179 0.0034 1707 TRP 112 N 0.0048 0.0108 -0.0039 1708 TRP 112 CA 0.0063 0.0091 -0.0031 1709 TRP 112 C 0.0052 0.0072 -0.0028 1710 TRP 112 O 0.0062 0.0062 -0.0024 1711 TRP 112 CB 0.0071 0.0086 -0.0029 1712 TRP 112 CG 0.0087 0.0069 -0.0021 1713 TRP 112 CD1 0.0108 0.0072 -0.0018 1714 TRP 112 CD2 0.0083 0.0047 -0.0016 1715 TRP 112 NE1 0.0118 0.0053 -0.0011 1716 TRP 112 CE2 0.0102 0.0038 -0.0010 1717 TRP 112 CE3 0.0064 0.0035 -0.0017 1718 TRP 112 CZ2 0.0103 0.0016 -0.0004 1719 TRP 112 CZ3 0.0066 0.0013 -0.0011 1720 TRP 112 CH2 0.0085 0.0004 -0.0004 1721 TRP 112 H 0.0043 0.0113 -0.0041 1722 TRP 112 HA 0.0077 0.0096 -0.0030 1723 TRP 112 HB3 0.0057 0.0080 -0.0030 1724 TRP 112 HB2 0.0078 0.0100 -0.0031 1725 TRP 112 HD1 0.0115 0.0088 -0.0020 1726 TRP 112 HE1 0.0133 0.0053 -0.0008 1727 TRP 112 HE3 0.0049 0.0042 -0.0021 1728 TRP 112 HZ2 0.0118 0.0009 0.0001 1729 TRP 112 HZ3 0.0051 0.0004 -0.0011 1730 TRP 112 HH2 0.0086 -0.0013 -0.0000 1731 ARG 113 N 0.0059 0.0119 -0.0040 1732 ARG 113 CA 0.0015 0.0052 -0.0048 1733 ARG 113 C 0.0003 0.0090 -0.0060 1734 ARG 113 O 0.0011 0.0044 -0.0048 1735 ARG 113 CB -0.0071 0.0024 -0.0081 1736 ARG 113 CG -0.0070 -0.0010 -0.0074 1737 ARG 113 CD -0.0157 -0.0034 -0.0110 1738 ARG 113 NE -0.0165 -0.0028 -0.0115 1739 ARG 113 CZ -0.0233 -0.0025 -0.0147 1740 ARG 113 NH1 -0.0305 -0.0030 -0.0179 1741 ARG 113 NH2 -0.0232 -0.0017 -0.0148 1742 ARG 113 H 0.0030 0.0142 -0.0058 1743 ARG 113 HA 0.0050 -0.0006 -0.0020 1744 ARG 113 HB3 -0.0102 -0.0025 -0.0086 1745 ARG 113 HB2 -0.0109 0.0080 -0.0110 1746 ARG 113 HG3 -0.0040 0.0040 -0.0070 1747 ARG 113 HG2 -0.0035 -0.0069 -0.0047 1748 ARG 113 HD3 -0.0177 -0.0102 -0.0106 1749 ARG 113 HD2 -0.0199 0.0009 -0.0137 1750 ARG 113 HE -0.0111 -0.0025 -0.0090 1751 ARG 113 HH12 -0.0359 -0.0028 -0.0204 1752 ARG 113 HH11 -0.0306 -0.0036 -0.0178 1753 ARG 113 HH22 -0.0285 -0.0015 -0.0172 1754 ARG 113 HH21 -0.0178 -0.0014 -0.0123 1755 ASN 114 N 0.0061 0.0124 -0.0066 1756 ASN 114 CA 0.0064 0.0121 -0.0065 1757 ASN 114 C 0.0030 0.0123 -0.0067 1758 ASN 114 O 0.0029 0.0137 -0.0071 1759 ASN 114 CB 0.0081 0.0088 -0.0054 1760 ASN 114 CG 0.0115 0.0082 -0.0050 1761 ASN 114 OD1 0.0132 0.0101 -0.0055 1762 ASN 114 ND2 0.0125 0.0050 -0.0040 1763 ASN 114 H 0.0065 0.0104 -0.0059 1764 ASN 114 HA 0.0081 0.0141 -0.0070 1765 ASN 114 HB3 0.0083 0.0088 -0.0054 1766 ASN 114 HB2 0.0063 0.0068 -0.0049 1767 ASN 114 HD22 0.0148 0.0042 -0.0037 1768 ASN 114 HD21 0.0110 0.0034 -0.0037 1769 ARG 115 N 0.0052 0.0123 -0.0021 1770 ARG 115 CA -0.0007 0.0043 -0.0088 1771 ARG 115 C 0.0008 0.0048 -0.0235 1772 ARG 115 O -0.0047 -0.0027 -0.0299 1773 ARG 115 CB -0.0009 0.0046 -0.0030 1774 ARG 115 CG -0.0031 0.0031 0.0114 1775 ARG 115 CD -0.0124 -0.0083 0.0140 1776 ARG 115 NE -0.0141 -0.0091 0.0283 1777 ARG 115 CZ -0.0218 -0.0182 0.0333 1778 ARG 115 NH1 -0.0275 -0.0262 0.0248 1779 ARG 115 NH2 -0.0234 -0.0191 0.0458 1780 ARG 115 H 0.0108 0.0194 -0.0011 1781 ARG 115 HA -0.0067 -0.0030 -0.0067 1782 ARG 115 HB3 -0.0051 -0.0012 -0.0081 1783 ARG 115 HB2 0.0051 0.0118 -0.0051 1784 ARG 115 HG3 -0.0005 0.0067 0.0154 1785 ARG 115 HG2 -0.0006 0.0067 0.0161 1786 ARG 115 HD3 -0.0149 -0.0117 0.0109 1787 ARG 115 HD2 -0.0149 -0.0119 0.0090 1788 ARG 115 HE -0.0094 -0.0027 0.0342 1789 ARG 115 HH12 -0.0335 -0.0334 0.0280 1790 ARG 115 HH11 -0.0259 -0.0251 0.0151 1791 ARG 115 HH22 -0.0292 -0.0261 0.0496 1792 ARG 115 HH21 -0.0187 -0.0128 0.0518 1793 CYS 116 N 0.0050 0.0064 -0.0058 1794 CYS 116 CA 0.0036 0.0069 -0.0053 1795 CYS 116 C 0.0032 0.0081 -0.0039 1796 CYS 116 O 0.0028 0.0088 -0.0031 1797 CYS 116 CB 0.0019 0.0062 -0.0061 1798 CYS 116 SG 0.0022 0.0047 -0.0079 1799 CYS 116 H 0.0048 0.0063 -0.0058 1800 CYS 116 HA 0.0040 0.0069 -0.0053 1801 CYS 116 HB3 0.0010 0.0065 -0.0057 1802 CYS 116 HB2 0.0014 0.0063 -0.0060 1803 GLN 117 N 0.0073 0.0095 0.0009 1804 GLN 117 CA 0.0065 0.0035 0.0016 1805 GLN 117 C 0.0070 0.0066 0.0016 1806 GLN 117 O 0.0061 0.0115 -0.0028 1807 GLN 117 CB 0.0032 -0.0015 -0.0046 1808 GLN 117 CG 0.0021 -0.0079 -0.0045 1809 GLN 117 CD -0.0010 -0.0136 -0.0098 1810 GLN 117 OE1 -0.0016 -0.0205 -0.0083 1811 GLN 117 NE2 -0.0028 -0.0118 -0.0151 1812 GLN 117 H 0.0056 0.0097 -0.0033 1813 GLN 117 HA 0.0079 0.0002 0.0065 1814 GLN 117 HB3 0.0018 0.0019 -0.0095 1815 GLN 117 HB2 0.0028 -0.0036 -0.0047 1816 GLN 117 HG3 0.0037 -0.0107 0.0008 1817 GLN 117 HG2 0.0021 -0.0058 -0.0055 1818 GLN 117 HE22 -0.0049 -0.0156 -0.0185 1819 GLN 117 HE21 -0.0023 -0.0065 -0.0160 1820 ASN 118 N 0.0083 0.0234 0.0315 1821 ASN 118 CA 0.0247 0.0561 0.0456 1822 ASN 118 C 0.0532 0.1161 0.0516 1823 ASN 118 O 0.0691 0.1514 0.0433 1824 ASN 118 CB 0.0180 0.0492 0.0003 1825 ASN 118 CG -0.0099 -0.0097 -0.0036 1826 ASN 118 OD1 -0.0197 -0.0382 0.0422 1827 ASN 118 ND2 -0.0229 -0.0288 -0.0589 1828 ASN 118 H -0.0042 -0.0079 0.0599 1829 ASN 118 HA 0.0210 0.0412 0.0895 1830 ASN 118 HB3 0.0311 0.0750 0.0129 1831 ASN 118 HB2 0.0218 0.0644 -0.0443 1832 ASN 118 HD22 -0.0416 -0.0678 -0.0639 1833 ASN 118 HD21 -0.0142 -0.0042 -0.0957 1834 ARG 119 N 0.0089 0.0081 0.0130 1835 ARG 119 CA 0.0110 0.0131 0.0140 1836 ARG 119 C 0.0136 0.0133 0.0192 1837 ARG 119 O 0.0134 0.0101 0.0212 1838 ARG 119 CB 0.0108 0.0166 0.0111 1839 ARG 119 CG 0.0088 0.0178 0.0060 1840 ARG 119 CD 0.0090 0.0220 0.0036 1841 ARG 119 NE 0.0066 0.0219 -0.0015 1842 ARG 119 CZ 0.0064 0.0258 -0.0046 1843 ARG 119 NH1 0.0084 0.0298 -0.0032 1844 ARG 119 NH2 0.0042 0.0255 -0.0090 1845 ARG 119 H 0.0086 0.0064 0.0137 1846 ARG 119 HA 0.0112 0.0144 0.0135 1847 ARG 119 HB3 0.0127 0.0200 0.0126 1848 ARG 119 HB2 0.0104 0.0150 0.0114 1849 ARG 119 HG3 0.0069 0.0146 0.0043 1850 ARG 119 HG2 0.0090 0.0189 0.0057 1851 ARG 119 HD3 0.0106 0.0256 0.0043 1852 ARG 119 HD2 0.0095 0.0215 0.0049 1853 ARG 119 HE 0.0049 0.0186 -0.0026 1854 ARG 119 HH12 0.0083 0.0328 -0.0056 1855 ARG 119 HH11 0.0101 0.0299 0.0002 1856 ARG 119 HH22 0.0040 0.0284 -0.0115 1857 ARG 119 HH21 0.0027 0.0223 -0.0100 1858 ASP 120 N 0.0136 0.0037 0.0291 1859 ASP 120 CA 0.0116 0.0026 0.0218 1860 ASP 120 C 0.0073 -0.0030 -0.0109 1861 ASP 120 O 0.0264 -0.0096 -0.0255 1862 ASP 120 CB 0.0425 -0.0017 0.0297 1863 ASP 120 CG 0.0424 -0.0020 0.0281 1864 ASP 120 OD1 0.0212 -0.0006 0.0148 1865 ASP 120 OD2 0.0637 -0.0043 0.0370 1866 ASP 120 H 0.0328 0.0009 0.0337 1867 ASP 120 HA -0.0052 0.0081 0.0330 1868 ASP 120 HB3 0.0577 -0.0076 0.0147 1869 ASP 120 HB2 0.0489 0.0014 0.0513 1870 VAL 121 N -0.0072 -0.0056 -0.0168 1871 VAL 121 CA -0.0081 -0.0067 -0.0211 1872 VAL 121 C -0.0095 -0.0078 -0.0264 1873 VAL 121 O -0.0107 -0.0084 -0.0304 1874 VAL 121 CB -0.0107 -0.0030 -0.0209 1875 VAL 121 CG1 -0.0091 -0.0027 -0.0162 1876 VAL 121 CG2 -0.0141 0.0015 -0.0212 1877 VAL 121 H -0.0091 -0.0027 -0.0163 1878 VAL 121 HA -0.0058 -0.0098 -0.0207 1879 VAL 121 HB -0.0113 -0.0041 -0.0243 1880 VAL 121 HG11 -0.0110 -0.0000 -0.0161 1881 VAL 121 HG12 -0.0068 -0.0059 -0.0164 1882 VAL 121 HG13 -0.0083 -0.0018 -0.0126 1883 VAL 121 HG21 -0.0159 0.0040 -0.0210 1884 VAL 121 HG22 -0.0136 0.0026 -0.0180 1885 VAL 121 HG23 -0.0154 0.0011 -0.0249 1886 ARG 122 N -0.0032 -0.0155 -0.0189 1887 ARG 122 CA -0.0019 -0.0176 -0.0320 1888 ARG 122 C 0.0095 -0.0259 -0.0478 1889 ARG 122 O 0.0077 -0.0264 -0.0631 1890 ARG 122 CB 0.0027 -0.0192 -0.0208 1891 ARG 122 CG 0.0206 -0.0298 -0.0218 1892 ARG 122 CD 0.0227 -0.0309 -0.0203 1893 ARG 122 NE 0.0237 -0.0294 -0.0002 1894 ARG 122 CZ 0.0151 -0.0230 0.0128 1895 ARG 122 NH1 -0.0011 -0.0137 0.0102 1896 ARG 122 NH2 0.0228 -0.0260 0.0280 1897 ARG 122 H -0.0003 -0.0158 -0.0049 1898 ARG 122 HA -0.0141 -0.0111 -0.0386 1899 ARG 122 HB3 -0.0001 -0.0160 -0.0060 1900 ARG 122 HB2 -0.0052 -0.0150 -0.0257 1901 ARG 122 HG3 0.0252 -0.0339 -0.0351 1902 ARG 122 HG2 0.0279 -0.0329 -0.0104 1903 ARG 122 HD3 0.0123 -0.0255 -0.0276 1904 ARG 122 HD2 0.0339 -0.0382 -0.0270 1905 ARG 122 HE 0.0312 -0.0335 0.0035 1906 ARG 122 HH12 -0.0077 -0.0088 0.0199 1907 ARG 122 HH11 -0.0068 -0.0116 -0.0016 1908 ARG 122 HH22 0.0164 -0.0212 0.0379 1909 ARG 122 HH21 0.0352 -0.0331 0.0298 1910 GLN 123 N 0.0064 -0.0174 -0.0362 1911 GLN 123 CA 0.0074 -0.0187 -0.0375 1912 GLN 123 C 0.0077 -0.0146 -0.0396 1913 GLN 123 O 0.0093 -0.0151 -0.0425 1914 GLN 123 CB 0.0059 -0.0212 -0.0337 1915 GLN 123 CG 0.0035 -0.0179 -0.0305 1916 GLN 123 CD 0.0019 -0.0204 -0.0265 1917 GLN 123 OE1 -0.0001 -0.0199 -0.0229 1918 GLN 123 NE2 0.0026 -0.0230 -0.0269 1919 GLN 123 H 0.0049 -0.0182 -0.0331 1920 GLN 123 HA 0.0091 -0.0213 -0.0398 1921 GLN 123 HB3 0.0056 -0.0240 -0.0321 1922 GLN 123 HB2 0.0069 -0.0231 -0.0350 1923 GLN 123 HG3 0.0039 -0.0156 -0.0321 1924 GLN 123 HG2 0.0027 -0.0156 -0.0297 1925 GLN 123 HE22 0.0016 -0.0247 -0.0243 1926 GLN 123 HE21 0.0042 -0.0231 -0.0298 1927 TYR 124 N -0.0043 -0.0140 -0.0329 1928 TYR 124 CA -0.0029 -0.0111 -0.0313 1929 TYR 124 C -0.0002 -0.0100 -0.0332 1930 TYR 124 O 0.0006 -0.0082 -0.0320 1931 TYR 124 CB -0.0026 -0.0089 -0.0292 1932 TYR 124 CG -0.0054 -0.0098 -0.0270 1933 TYR 124 CD1 -0.0074 -0.0095 -0.0244 1934 TYR 124 CD2 -0.0061 -0.0109 -0.0275 1935 TYR 124 CE1 -0.0099 -0.0102 -0.0224 1936 TYR 124 CE2 -0.0087 -0.0117 -0.0255 1937 TYR 124 CZ -0.0106 -0.0115 -0.0229 1938 TYR 124 OH -0.0132 -0.0122 -0.0209 1939 TYR 124 H -0.0044 -0.0143 -0.0330 1940 TYR 124 HA -0.0045 -0.0113 -0.0297 1941 TYR 124 HB3 -0.0017 -0.0068 -0.0280 1942 TYR 124 HB2 -0.0011 -0.0086 -0.0306 1943 TYR 124 HD1 -0.0070 -0.0086 -0.0240 1944 TYR 124 HD2 -0.0046 -0.0112 -0.0294 1945 TYR 124 HE1 -0.0114 -0.0099 -0.0203 1946 TYR 124 HE2 -0.0091 -0.0126 -0.0259 1947 TYR 124 HH -0.0134 -0.0132 -0.0217 1948 VAL 125 N -0.0015 -0.0083 -0.0230 1949 VAL 125 CA -0.0003 -0.0083 -0.0223 1950 VAL 125 C 0.0015 -0.0081 -0.0214 1951 VAL 125 O 0.0027 -0.0081 -0.0207 1952 VAL 125 CB -0.0009 -0.0099 -0.0216 1953 VAL 125 CG1 -0.0026 -0.0099 -0.0226 1954 VAL 125 CG2 -0.0011 -0.0115 -0.0208 1955 VAL 125 H -0.0018 -0.0092 -0.0226 1956 VAL 125 HA -0.0003 -0.0072 -0.0230 1957 VAL 125 HB 0.0001 -0.0099 -0.0211 1958 VAL 125 HG11 -0.0029 -0.0110 -0.0221 1959 VAL 125 HG12 -0.0023 -0.0088 -0.0232 1960 VAL 125 HG13 -0.0036 -0.0099 -0.0232 1961 VAL 125 HG21 -0.0015 -0.0126 -0.0203 1962 VAL 125 HG22 -0.0021 -0.0115 -0.0213 1963 VAL 125 HG23 0.0002 -0.0115 -0.0201 1964 GLN 126 N 0.0002 -0.0187 -0.0185 1965 GLN 126 CA 0.0151 -0.0106 -0.0024 1966 GLN 126 C 0.0248 -0.0019 -0.0070 1967 GLN 126 O 0.0282 0.0051 -0.0252 1968 GLN 126 CB 0.0269 -0.0017 -0.0002 1969 GLN 126 CG 0.0365 0.0103 -0.0193 1970 GLN 126 CD 0.0546 0.0231 -0.0123 1971 GLN 126 OE1 0.0584 0.0271 -0.0168 1972 GLN 126 NE2 0.0655 0.0292 -0.0012 1973 GLN 126 H -0.0006 -0.0174 -0.0274 1974 GLN 126 HA 0.0103 -0.0180 0.0129 1975 GLN 126 HB3 0.0194 -0.0083 0.0023 1976 GLN 126 HB2 0.0362 0.0023 0.0143 1977 GLN 126 HG3 0.0372 0.0128 -0.0279 1978 GLN 126 HG2 0.0293 0.0071 -0.0303 1979 GLN 126 HE22 0.0777 0.0377 0.0039 1980 GLN 126 HE21 0.0617 0.0254 0.0022 1981 GLY 127 N 0.0348 -0.0007 0.0105 1982 GLY 127 CA 0.0411 0.0055 0.0111 1983 GLY 127 C 0.0307 -0.0047 0.0033 1984 GLY 127 O 0.0351 -0.0003 0.0016 1985 GLY 127 H 0.0309 -0.0047 0.0247 1986 GLY 127 HA3 0.0518 0.0162 0.0019 1987 GLY 127 HA2 0.0450 0.0092 0.0276 1988 CYS 128 N -0.0031 -0.0010 -0.0071 1989 CYS 128 CA -0.0042 -0.0033 -0.0077 1990 CYS 128 C -0.0063 -0.0042 -0.0060 1991 CYS 128 O -0.0073 -0.0061 -0.0064 1992 CYS 128 CB -0.0038 -0.0048 -0.0095 1993 CYS 128 SG -0.0014 -0.0042 -0.0118 1994 CYS 128 H -0.0028 -0.0007 -0.0072 1995 CYS 128 HA -0.0038 -0.0035 -0.0083 1996 CYS 128 HB3 -0.0047 -0.0065 -0.0099 1997 CYS 128 HB2 -0.0042 -0.0047 -0.0090 1998 GLY 129 N -0.0158 -0.0032 -0.0005 1999 GLY 129 CA -0.0205 -0.0026 -0.0003 2000 GLY 129 C -0.0197 -0.0017 -0.0003 2001 GLY 129 O -0.0229 -0.0029 -0.0002 2002 GLY 129 H -0.0145 -0.0002 -0.0004 2003 GLY 129 HA3 -0.0229 -0.0059 -0.0004 2004 GLY 129 HA2 -0.0227 0.0006 -0.0001 2005 VAL 130 N -0.0132 -0.0064 -0.0039 2006 VAL 130 CA -0.0115 -0.0080 -0.0047 2007 VAL 130 C -0.0111 -0.0080 -0.0067 2008 VAL 130 O -0.0098 -0.0094 -0.0075 2009 VAL 130 CB -0.0108 -0.0087 -0.0055 2010 VAL 130 CG1 -0.0109 -0.0090 -0.0036 2011 VAL 130 CG2 -0.0115 -0.0074 -0.0075 2012 VAL 130 OXT -0.0122 -0.0067 -0.0071 2013 VAL 130 H -0.0139 -0.0054 -0.0050 2014 VAL 130 HA -0.0110 -0.0089 -0.0033 2015 VAL 130 HB -0.0096 -0.0099 -0.0062 2016 VAL 130 HG11 -0.0103 -0.0095 -0.0042 2017 VAL 130 HG12 -0.0102 -0.0100 -0.0023 2018 VAL 130 HG13 -0.0121 -0.0078 -0.0028 2019 VAL 130 HG21 -0.0110 -0.0079 -0.0080 2020 VAL 130 HG22 -0.0128 -0.0062 -0.0069 2021 VAL 130 HG23 -0.0114 -0.0073 -0.0089