1 LYS 1 N 0.0131 -0.0003 -0.0393 2 LYS 1 CA 0.0154 -0.0008 -0.0385 3 LYS 1 C 0.0172 -0.0007 -0.0350 4 LYS 1 O 0.0157 -0.0000 -0.0327 5 LYS 1 CB 0.0132 -0.0002 -0.0382 6 LYS 1 CG 0.0145 -0.0003 -0.0366 7 LYS 1 CD 0.0119 0.0004 -0.0365 8 LYS 1 CE 0.0132 0.0003 -0.0349 9 LYS 1 NZ 0.0109 0.0008 -0.0353 10 LYS 1 H1 0.0119 -0.0003 -0.0416 11 LYS 1 H2 0.0145 -0.0007 -0.0394 12 LYS 1 H3 0.0114 0.0004 -0.0375 13 LYS 1 HA 0.0172 -0.0015 -0.0405 14 LYS 1 HB3 0.0109 0.0006 -0.0369 15 LYS 1 HB2 0.0120 -0.0002 -0.0407 16 LYS 1 HG3 0.0167 -0.0010 -0.0381 17 LYS 1 HG2 0.0155 -0.0002 -0.0340 18 LYS 1 HD3 0.0097 0.0011 -0.0352 19 LYS 1 HD2 0.0110 0.0003 -0.0392 20 LYS 1 HE3 0.0156 -0.0005 -0.0360 21 LYS 1 HE2 0.0137 0.0005 -0.0321 22 LYS 1 HZ1 0.0120 0.0007 -0.0343 23 LYS 1 HZ2 0.0103 0.0006 -0.0378 24 LYS 1 HZ3 0.0087 0.0015 -0.0340 25 VAL 2 N 0.0165 -0.0045 -0.0374 26 VAL 2 CA 0.0185 -0.0046 -0.0337 27 VAL 2 C 0.0183 -0.0043 -0.0331 28 VAL 2 O 0.0196 -0.0055 -0.0353 29 VAL 2 CB 0.0225 -0.0064 -0.0334 30 VAL 2 CG1 0.0244 -0.0063 -0.0294 31 VAL 2 CG2 0.0227 -0.0066 -0.0341 32 VAL 2 H 0.0176 -0.0056 -0.0399 33 VAL 2 HA 0.0173 -0.0034 -0.0314 34 VAL 2 HB 0.0238 -0.0076 -0.0356 35 VAL 2 HG11 0.0272 -0.0076 -0.0292 36 VAL 2 HG12 0.0242 -0.0061 -0.0289 37 VAL 2 HG13 0.0230 -0.0051 -0.0271 38 VAL 2 HG21 0.0255 -0.0080 -0.0338 39 VAL 2 HG22 0.0213 -0.0054 -0.0319 40 VAL 2 HG23 0.0214 -0.0067 -0.0369 41 PHE 3 N 0.0122 0.0017 -0.0244 42 PHE 3 CA 0.0122 0.0019 -0.0232 43 PHE 3 C 0.0133 0.0026 -0.0226 44 PHE 3 O 0.0139 0.0028 -0.0226 45 PHE 3 CB 0.0112 0.0017 -0.0222 46 PHE 3 CG 0.0100 0.0011 -0.0224 47 PHE 3 CD1 0.0094 0.0006 -0.0234 48 PHE 3 CD2 0.0094 0.0009 -0.0216 49 PHE 3 CE1 0.0083 0.0000 -0.0235 50 PHE 3 CE2 0.0083 0.0004 -0.0218 51 PHE 3 CZ 0.0077 -0.0001 -0.0227 52 PHE 3 H 0.0118 0.0015 -0.0244 53 PHE 3 HA 0.0120 0.0018 -0.0233 54 PHE 3 HB3 0.0114 0.0019 -0.0213 55 PHE 3 HB2 0.0113 0.0017 -0.0222 56 PHE 3 HD1 0.0098 0.0007 -0.0240 57 PHE 3 HD2 0.0099 0.0013 -0.0209 58 PHE 3 HE1 0.0078 -0.0003 -0.0243 59 PHE 3 HE2 0.0079 0.0003 -0.0212 60 PHE 3 HZ 0.0068 -0.0005 -0.0228 61 GLU 4 N 0.0070 0.0113 -0.0220 62 GLU 4 CA 0.0102 0.0134 -0.0188 63 GLU 4 C 0.0082 0.0111 -0.0147 64 GLU 4 O 0.0050 0.0082 -0.0135 65 GLU 4 CB 0.0130 0.0153 -0.0163 66 GLU 4 CG 0.0150 0.0176 -0.0201 67 GLU 4 CD 0.0174 0.0192 -0.0180 68 GLU 4 OE1 0.0204 0.0212 -0.0150 69 GLU 4 OE2 0.0164 0.0187 -0.0197 70 GLU 4 H 0.0063 0.0106 -0.0213 71 GLU 4 HA 0.0118 0.0151 -0.0210 72 GLU 4 HB3 0.0152 0.0167 -0.0136 73 GLU 4 HB2 0.0113 0.0136 -0.0141 74 GLU 4 HG3 0.0129 0.0163 -0.0232 75 GLU 4 HG2 0.0170 0.0195 -0.0220 76 ARG 5 N -0.0077 0.0044 -0.0016 77 ARG 5 CA -0.0064 0.0059 -0.0044 78 ARG 5 C -0.0064 0.0062 -0.0049 79 ARG 5 O -0.0039 0.0061 -0.0057 80 ARG 5 CB -0.0082 0.0076 -0.0065 81 ARG 5 CG -0.0071 0.0093 -0.0095 82 ARG 5 CD -0.0090 0.0109 -0.0114 83 ARG 5 NE -0.0123 0.0116 -0.0113 84 ARG 5 CZ -0.0135 0.0129 -0.0129 85 ARG 5 NH1 -0.0116 0.0136 -0.0147 86 ARG 5 NH2 -0.0167 0.0134 -0.0127 87 ARG 5 H -0.0094 0.0047 -0.0015 88 ARG 5 HA -0.0039 0.0055 -0.0047 89 ARG 5 HB3 -0.0108 0.0079 -0.0061 90 ARG 5 HB2 -0.0080 0.0074 -0.0062 91 ARG 5 HG3 -0.0046 0.0090 -0.0100 92 ARG 5 HG2 -0.0076 0.0096 -0.0099 93 ARG 5 HD3 -0.0089 0.0105 -0.0108 94 ARG 5 HD2 -0.0079 0.0120 -0.0135 95 ARG 5 HE -0.0138 0.0110 -0.0099 96 ARG 5 HH12 -0.0126 0.0145 -0.0159 97 ARG 5 HH11 -0.0092 0.0131 -0.0149 98 ARG 5 HH22 -0.0176 0.0144 -0.0139 99 ARG 5 HH21 -0.0182 0.0129 -0.0113 100 CYS 6 N 0.0002 0.0162 -0.0046 101 CYS 6 CA 0.0003 0.0152 -0.0031 102 CYS 6 C 0.0014 0.0123 -0.0005 103 CYS 6 O 0.0024 0.0107 0.0001 104 CYS 6 CB -0.0020 0.0177 -0.0015 105 CYS 6 SG -0.0032 0.0209 -0.0046 106 CYS 6 H -0.0013 0.0179 -0.0040 107 CYS 6 HA 0.0013 0.0148 -0.0051 108 CYS 6 HB3 -0.0020 0.0168 0.0000 109 CYS 6 HB2 -0.0031 0.0183 0.0003 110 GLU 7 N 0.0103 0.0144 -0.0057 111 GLU 7 CA 0.0083 0.0118 -0.0065 112 GLU 7 C 0.0066 0.0092 -0.0076 113 GLU 7 O 0.0046 0.0070 -0.0064 114 GLU 7 CB 0.0093 0.0121 -0.0096 115 GLU 7 CG 0.0075 0.0096 -0.0106 116 GLU 7 CD 0.0083 0.0097 -0.0140 117 GLU 7 OE1 0.0101 0.0114 -0.0162 118 GLU 7 OE2 0.0071 0.0081 -0.0147 119 GLU 7 H 0.0119 0.0160 -0.0071 120 GLU 7 HA 0.0076 0.0114 -0.0041 121 GLU 7 HB3 0.0101 0.0125 -0.0119 122 GLU 7 HB2 0.0106 0.0140 -0.0089 123 GLU 7 HG3 0.0068 0.0093 -0.0085 124 GLU 7 HG2 0.0060 0.0076 -0.0109 125 LEU 8 N 0.0070 0.0045 -0.0092 126 LEU 8 CA 0.0057 0.0034 -0.0097 127 LEU 8 C 0.0054 0.0024 -0.0082 128 LEU 8 O 0.0044 0.0013 -0.0079 129 LEU 8 CB 0.0054 0.0036 -0.0110 130 LEU 8 CG 0.0041 0.0025 -0.0115 131 LEU 8 CD1 0.0032 0.0018 -0.0122 132 LEU 8 CD2 0.0040 0.0029 -0.0128 133 LEU 8 H 0.0076 0.0054 -0.0097 134 LEU 8 HA 0.0051 0.0030 -0.0101 135 LEU 8 HB3 0.0060 0.0041 -0.0105 136 LEU 8 HB2 0.0057 0.0044 -0.0120 137 LEU 8 HG 0.0039 0.0018 -0.0105 138 LEU 8 HD11 0.0023 0.0010 -0.0126 139 LEU 8 HD12 0.0033 0.0015 -0.0112 140 LEU 8 HD13 0.0035 0.0025 -0.0132 141 LEU 8 HD21 0.0031 0.0021 -0.0132 142 LEU 8 HD22 0.0043 0.0036 -0.0138 143 LEU 8 HD23 0.0046 0.0033 -0.0122 144 ALA 9 N 0.0026 0.0069 -0.0046 145 ALA 9 CA 0.0031 0.0054 -0.0046 146 ALA 9 C 0.0042 0.0039 -0.0022 147 ALA 9 O 0.0049 0.0016 -0.0024 148 ALA 9 CB 0.0024 0.0071 -0.0049 149 ALA 9 H 0.0019 0.0089 -0.0047 150 ALA 9 HA 0.0031 0.0040 -0.0064 151 ALA 9 HB1 0.0028 0.0059 -0.0050 152 ALA 9 HB2 0.0017 0.0081 -0.0068 153 ALA 9 HB3 0.0024 0.0086 -0.0033 154 ARG 10 N 0.0072 0.0062 -0.0023 155 ARG 10 CA 0.0090 0.0042 0.0012 156 ARG 10 C 0.0099 0.0014 0.0013 157 ARG 10 O 0.0113 -0.0017 0.0027 158 ARG 10 CB 0.0092 0.0070 0.0047 159 ARG 10 CG 0.0087 0.0092 0.0054 160 ARG 10 CD 0.0093 0.0115 0.0093 161 ARG 10 NE 0.0083 0.0146 0.0093 162 ARG 10 CZ 0.0068 0.0179 0.0080 163 ARG 10 NH1 0.0061 0.0188 0.0068 164 ARG 10 NH2 0.0060 0.0205 0.0080 165 ARG 10 H 0.0063 0.0090 -0.0021 166 ARG 10 HA 0.0095 0.0026 0.0012 167 ARG 10 HB3 0.0105 0.0055 0.0071 168 ARG 10 HB2 0.0085 0.0089 0.0045 169 ARG 10 HG3 0.0074 0.0111 0.0032 170 ARG 10 HG2 0.0094 0.0073 0.0054 171 ARG 10 HD3 0.0092 0.0127 0.0101 172 ARG 10 HD2 0.0106 0.0097 0.0114 173 ARG 10 HE 0.0088 0.0141 0.0104 174 ARG 10 HH12 0.0049 0.0214 0.0058 175 ARG 10 HH11 0.0067 0.0170 0.0069 176 ARG 10 HH22 0.0048 0.0230 0.0070 177 ARG 10 HH21 0.0065 0.0199 0.0090 178 THR 11 N 0.0090 0.0033 -0.0049 179 THR 11 CA 0.0079 0.0013 -0.0062 180 THR 11 C 0.0067 -0.0010 -0.0067 181 THR 11 O 0.0058 -0.0032 -0.0059 182 THR 11 CB 0.0079 0.0024 -0.0090 183 THR 11 OG1 0.0090 0.0044 -0.0084 184 THR 11 CG2 0.0067 0.0003 -0.0104 185 THR 11 H 0.0097 0.0050 -0.0060 186 THR 11 HA 0.0078 0.0007 -0.0048 187 THR 11 HB 0.0080 0.0031 -0.0104 188 THR 11 HG1 0.0097 0.0059 -0.0081 189 THR 11 HG21 0.0067 0.0012 -0.0124 190 THR 11 HG22 0.0058 -0.0012 -0.0109 191 THR 11 HG23 0.0065 -0.0004 -0.0091 192 LEU 12 N 0.0062 -0.0009 -0.0048 193 LEU 12 CA 0.0050 -0.0025 -0.0049 194 LEU 12 C 0.0056 -0.0039 -0.0035 195 LEU 12 O 0.0049 -0.0052 -0.0034 196 LEU 12 CB 0.0042 -0.0026 -0.0055 197 LEU 12 CG 0.0033 -0.0014 -0.0069 198 LEU 12 CD1 0.0027 -0.0016 -0.0073 199 LEU 12 CD2 0.0022 -0.0017 -0.0078 200 LEU 12 H 0.0065 -0.0001 -0.0051 201 LEU 12 HA 0.0042 -0.0026 -0.0055 202 LEU 12 HB3 0.0035 -0.0039 -0.0053 203 LEU 12 HB2 0.0051 -0.0024 -0.0049 204 LEU 12 HG 0.0041 -0.0002 -0.0071 205 LEU 12 HD11 0.0021 -0.0008 -0.0084 206 LEU 12 HD12 0.0036 -0.0014 -0.0068 207 LEU 12 HD13 0.0020 -0.0029 -0.0072 208 LEU 12 HD21 0.0016 -0.0009 -0.0088 209 LEU 12 HD22 0.0014 -0.0030 -0.0076 210 LEU 12 HD23 0.0027 -0.0015 -0.0075 211 LYS 13 N 0.0078 -0.0022 -0.0017 212 LYS 13 CA 0.0097 -0.0050 0.0000 213 LYS 13 C 0.0113 -0.0054 0.0013 214 LYS 13 O 0.0115 -0.0083 0.0018 215 LYS 13 CB 0.0115 -0.0044 0.0014 216 LYS 13 CG 0.0134 -0.0073 0.0032 217 LYS 13 CD 0.0141 -0.0077 0.0037 218 LYS 13 CE 0.0155 -0.0111 0.0052 219 LYS 13 NZ 0.0156 -0.0118 0.0054 220 LYS 13 H 0.0081 -0.0001 -0.0017 221 LYS 13 HA 0.0084 -0.0074 -0.0007 222 LYS 13 HB3 0.0128 -0.0020 0.0021 223 LYS 13 HB2 0.0103 -0.0040 0.0004 224 LYS 13 HG3 0.0125 -0.0097 0.0027 225 LYS 13 HG2 0.0153 -0.0068 0.0046 226 LYS 13 HD3 0.0155 -0.0055 0.0046 227 LYS 13 HD2 0.0122 -0.0078 0.0023 228 LYS 13 HE3 0.0144 -0.0132 0.0045 229 LYS 13 HE2 0.0176 -0.0108 0.0068 230 LYS 13 HZ1 0.0158 -0.0096 0.0052 231 LYS 13 HZ2 0.0173 -0.0131 0.0068 232 LYS 13 HZ3 0.0139 -0.0131 0.0042 233 ARG 14 N 0.0123 -0.0054 0.0013 234 ARG 14 CA 0.0129 -0.0066 0.0027 235 ARG 14 C 0.0118 -0.0088 0.0013 236 ARG 14 O 0.0121 -0.0107 0.0025 237 ARG 14 CB 0.0135 -0.0041 0.0031 238 ARG 14 CG 0.0150 -0.0024 0.0054 239 ARG 14 CD 0.0157 -0.0008 0.0063 240 ARG 14 NE 0.0150 0.0010 0.0043 241 ARG 14 CZ 0.0151 0.0037 0.0038 242 ARG 14 NH1 0.0160 0.0048 0.0051 243 ARG 14 NH2 0.0142 0.0051 0.0018 244 ARG 14 H 0.0123 -0.0033 0.0007 245 ARG 14 HA 0.0138 -0.0075 0.0046 246 ARG 14 HB3 0.0135 -0.0049 0.0034 247 ARG 14 HB2 0.0128 -0.0026 0.0014 248 ARG 14 HG3 0.0149 -0.0009 0.0048 249 ARG 14 HG2 0.0156 -0.0040 0.0069 250 ARG 14 HD3 0.0168 0.0004 0.0079 251 ARG 14 HD2 0.0159 -0.0024 0.0070 252 ARG 14 HE 0.0143 0.0002 0.0034 253 ARG 14 HH12 0.0161 0.0069 0.0047 254 ARG 14 HH11 0.0166 0.0037 0.0066 255 ARG 14 HH22 0.0143 0.0072 0.0013 256 ARG 14 HH21 0.0135 0.0042 0.0007 257 LEU 15 N 0.0077 -0.0068 -0.0028 258 LEU 15 CA 0.0051 -0.0077 -0.0041 259 LEU 15 C 0.0035 -0.0094 -0.0025 260 LEU 15 O 0.0012 -0.0103 -0.0034 261 LEU 15 CB 0.0049 -0.0065 -0.0069 262 LEU 15 CG 0.0057 -0.0051 -0.0089 263 LEU 15 CD1 0.0059 -0.0039 -0.0115 264 LEU 15 CD2 0.0040 -0.0058 -0.0097 265 LEU 15 H 0.0089 -0.0059 -0.0032 266 LEU 15 HA 0.0044 -0.0080 -0.0044 267 LEU 15 HB3 0.0030 -0.0073 -0.0077 268 LEU 15 HB2 0.0060 -0.0060 -0.0067 269 LEU 15 HG 0.0076 -0.0044 -0.0081 270 LEU 15 HD11 0.0065 -0.0029 -0.0129 271 LEU 15 HD12 0.0072 -0.0034 -0.0110 272 LEU 15 HD13 0.0040 -0.0046 -0.0123 273 LEU 15 HD21 0.0047 -0.0047 -0.0112 274 LEU 15 HD22 0.0021 -0.0065 -0.0105 275 LEU 15 HD23 0.0040 -0.0066 -0.0079 276 GLY 16 N 0.0044 -0.0090 -0.0005 277 GLY 16 CA 0.0031 -0.0104 0.0011 278 GLY 16 C 0.0025 -0.0108 0.0014 279 GLY 16 O 0.0010 -0.0119 0.0024 280 GLY 16 H 0.0061 -0.0086 -0.0001 281 GLY 16 HA3 0.0017 -0.0108 0.0009 282 GLY 16 HA2 0.0040 -0.0109 0.0026 283 MET 17 N 0.0019 -0.0077 -0.0000 284 MET 17 CA 0.0015 -0.0080 0.0005 285 MET 17 C 0.0021 -0.0088 0.0019 286 MET 17 O 0.0015 -0.0092 0.0025 287 MET 17 CB 0.0020 -0.0074 -0.0005 288 MET 17 CG 0.0011 -0.0067 -0.0018 289 MET 17 SD -0.0008 -0.0069 -0.0016 290 MET 17 CE -0.0007 -0.0064 -0.0024 291 MET 17 H 0.0028 -0.0073 -0.0006 292 MET 17 HA 0.0003 -0.0081 0.0005 293 MET 17 HB3 0.0018 -0.0077 -0.0000 294 MET 17 HB2 0.0032 -0.0073 -0.0006 295 MET 17 HG3 0.0017 -0.0062 -0.0025 296 MET 17 HG2 0.0011 -0.0065 -0.0021 297 MET 17 HE1 -0.0018 -0.0065 -0.0024 298 MET 17 HE2 -0.0004 -0.0058 -0.0034 299 MET 17 HE3 0.0001 -0.0067 -0.0018 300 ASP 18 N 0.0035 -0.0090 0.0026 301 ASP 18 CA 0.0038 -0.0100 0.0032 302 ASP 18 C 0.0032 -0.0116 0.0036 303 ASP 18 O 0.0038 -0.0121 0.0041 304 ASP 18 CB 0.0054 -0.0098 0.0037 305 ASP 18 CG 0.0058 -0.0107 0.0042 306 ASP 18 OD1 0.0048 -0.0111 0.0040 307 ASP 18 OD2 0.0070 -0.0110 0.0049 308 ASP 18 H 0.0043 -0.0084 0.0026 309 ASP 18 HA 0.0032 -0.0099 0.0028 310 ASP 18 HB3 0.0061 -0.0101 0.0041 311 ASP 18 HB2 0.0058 -0.0087 0.0034 312 GLY 19 N 0.0015 -0.0114 0.0065 313 GLY 19 CA 0.0006 -0.0130 0.0071 314 GLY 19 C -0.0011 -0.0123 0.0069 315 GLY 19 O -0.0019 -0.0136 0.0074 316 GLY 19 H 0.0009 -0.0111 0.0063 317 GLY 19 HA3 0.0019 -0.0139 0.0075 318 GLY 19 HA2 -0.0002 -0.0141 0.0076 319 TYR 20 N -0.0021 -0.0102 0.0074 320 TYR 20 CA -0.0035 -0.0096 0.0071 321 TYR 20 C -0.0040 -0.0096 0.0084 322 TYR 20 O -0.0031 -0.0099 0.0087 323 TYR 20 CB -0.0035 -0.0095 0.0055 324 TYR 20 CG -0.0050 -0.0089 0.0050 325 TYR 20 CD1 -0.0059 -0.0086 0.0043 326 TYR 20 CD2 -0.0056 -0.0088 0.0054 327 TYR 20 CE1 -0.0074 -0.0080 0.0039 328 TYR 20 CE2 -0.0070 -0.0082 0.0050 329 TYR 20 CZ -0.0079 -0.0078 0.0043 330 TYR 20 OH -0.0094 -0.0073 0.0039 331 TYR 20 H -0.0012 -0.0104 0.0067 332 TYR 20 HA -0.0044 -0.0093 0.0071 333 TYR 20 HB3 -0.0028 -0.0098 0.0056 334 TYR 20 HB2 -0.0030 -0.0096 0.0046 335 TYR 20 HD1 -0.0055 -0.0087 0.0040 336 TYR 20 HD2 -0.0049 -0.0090 0.0059 337 TYR 20 HE1 -0.0080 -0.0077 0.0033 338 TYR 20 HE2 -0.0075 -0.0081 0.0053 339 TYR 20 HH -0.0098 -0.0071 0.0033 340 ARG 21 N -0.0066 -0.0076 0.0083 341 ARG 21 CA -0.0062 -0.0065 0.0112 342 ARG 21 C -0.0044 -0.0074 0.0131 343 ARG 21 O -0.0031 -0.0075 0.0153 344 ARG 21 CB -0.0059 -0.0065 0.0117 345 ARG 21 CG -0.0080 -0.0050 0.0103 346 ARG 21 CD -0.0091 -0.0027 0.0125 347 ARG 21 NE -0.0076 -0.0031 0.0146 348 ARG 21 CZ -0.0074 -0.0019 0.0172 349 ARG 21 NH1 -0.0090 0.0002 0.0178 350 ARG 21 NH2 -0.0057 -0.0027 0.0191 351 ARG 21 H -0.0082 -0.0066 0.0072 352 ARG 21 HA -0.0076 -0.0047 0.0116 353 ARG 21 HB3 -0.0053 -0.0060 0.0139 354 ARG 21 HB2 -0.0048 -0.0082 0.0108 355 ARG 21 HG3 -0.0077 -0.0058 0.0095 356 ARG 21 HG2 -0.0091 -0.0047 0.0087 357 ARG 21 HD3 -0.0106 -0.0016 0.0115 358 ARG 21 HD2 -0.0092 -0.0020 0.0135 359 ARG 21 HE -0.0067 -0.0045 0.0139 360 ARG 21 HH12 -0.0089 0.0012 0.0198 361 ARG 21 HH11 -0.0104 0.0008 0.0164 362 ARG 21 HH22 -0.0055 -0.0017 0.0211 363 ARG 21 HH21 -0.0045 -0.0043 0.0185 364 GLY 22 N -0.0050 -0.0154 0.0090 365 GLY 22 CA -0.0045 -0.0168 0.0097 366 GLY 22 C -0.0042 -0.0145 0.0090 367 GLY 22 O -0.0041 -0.0157 0.0095 368 GLY 22 H -0.0030 -0.0149 0.0096 369 GLY 22 HA3 -0.0065 -0.0187 0.0098 370 GLY 22 HA2 -0.0024 -0.0181 0.0110 371 ILE 23 N -0.0025 -0.0086 0.0063 372 ILE 23 CA -0.0027 -0.0085 0.0064 373 ILE 23 C -0.0019 -0.0085 0.0060 374 ILE 23 O -0.0014 -0.0079 0.0057 375 ILE 23 CB -0.0032 -0.0077 0.0063 376 ILE 23 CG1 -0.0040 -0.0077 0.0066 377 ILE 23 CG2 -0.0033 -0.0076 0.0064 378 ILE 23 CD1 -0.0044 -0.0068 0.0066 379 ILE 23 H -0.0024 -0.0081 0.0062 380 ILE 23 HA -0.0030 -0.0090 0.0066 381 ILE 23 HB -0.0029 -0.0072 0.0061 382 ILE 23 HG13 -0.0039 -0.0079 0.0067 383 ILE 23 HG12 -0.0044 -0.0081 0.0069 384 ILE 23 HG21 -0.0037 -0.0070 0.0064 385 ILE 23 HG22 -0.0027 -0.0076 0.0061 386 ILE 23 HG23 -0.0036 -0.0081 0.0066 387 ILE 23 HD11 -0.0050 -0.0068 0.0068 388 ILE 23 HD12 -0.0041 -0.0063 0.0063 389 ILE 23 HD13 -0.0046 -0.0065 0.0066 390 SER 24 N -0.0028 -0.0089 0.0020 391 SER 24 CA -0.0025 -0.0071 0.0039 392 SER 24 C -0.0028 -0.0052 0.0043 393 SER 24 O -0.0035 -0.0047 0.0026 394 SER 24 CB -0.0030 -0.0057 0.0034 395 SER 24 OG -0.0040 -0.0042 0.0015 396 SER 24 H -0.0034 -0.0088 0.0005 397 SER 24 HA -0.0017 -0.0080 0.0055 398 SER 24 HB3 -0.0029 -0.0070 0.0030 399 SER 24 HB2 -0.0027 -0.0045 0.0049 400 SER 24 HG -0.0043 -0.0031 0.0014 401 LEU 25 N 0.0001 -0.0053 -0.0009 402 LEU 25 CA 0.0004 -0.0036 -0.0013 403 LEU 25 C -0.0002 -0.0030 -0.0018 404 LEU 25 O -0.0008 -0.0019 -0.0024 405 LEU 25 CB 0.0021 -0.0032 -0.0008 406 LEU 25 CG 0.0026 -0.0016 -0.0011 407 LEU 25 CD1 0.0019 -0.0009 -0.0016 408 LEU 25 CD2 0.0043 -0.0013 -0.0006 409 LEU 25 H 0.0010 -0.0058 -0.0004 410 LEU 25 HA -0.0001 -0.0032 -0.0017 411 LEU 25 HB3 0.0026 -0.0036 -0.0005 412 LEU 25 HB2 0.0025 -0.0038 -0.0005 413 LEU 25 HG 0.0023 -0.0010 -0.0015 414 LEU 25 HD11 0.0023 0.0003 -0.0019 415 LEU 25 HD12 0.0007 -0.0010 -0.0021 416 LEU 25 HD13 0.0021 -0.0014 -0.0014 417 LEU 25 HD21 0.0046 -0.0002 -0.0008 418 LEU 25 HD22 0.0046 -0.0020 -0.0002 419 LEU 25 HD23 0.0047 -0.0018 -0.0002 420 ALA 26 N -0.0067 0.0044 -0.0001 421 ALA 26 CA -0.0076 0.0062 -0.0014 422 ALA 26 C -0.0046 0.0051 -0.0032 423 ALA 26 O -0.0049 0.0052 -0.0031 424 ALA 26 CB -0.0093 0.0094 -0.0037 425 ALA 26 H -0.0071 0.0054 -0.0009 426 ALA 26 HA -0.0093 0.0060 0.0007 427 ALA 26 HB1 -0.0100 0.0106 -0.0046 428 ALA 26 HB2 -0.0115 0.0101 -0.0023 429 ALA 26 HB3 -0.0077 0.0096 -0.0058 430 ASN 27 N -0.0059 -0.0002 0.0022 431 ASN 27 CA -0.0063 -0.0002 0.0021 432 ASN 27 C -0.0063 0.0001 0.0021 433 ASN 27 O -0.0066 0.0003 0.0020 434 ASN 27 CB -0.0063 -0.0005 0.0020 435 ASN 27 CG -0.0065 -0.0008 0.0020 436 ASN 27 OD1 -0.0067 -0.0008 0.0019 437 ASN 27 ND2 -0.0063 -0.0011 0.0020 438 ASN 27 H -0.0058 -0.0004 0.0022 439 ASN 27 HA -0.0064 -0.0002 0.0020 440 ASN 27 HB3 -0.0065 -0.0005 0.0020 441 ASN 27 HB2 -0.0061 -0.0006 0.0021 442 ASN 27 HD22 -0.0064 -0.0013 0.0020 443 ASN 27 HD21 -0.0061 -0.0011 0.0021 444 TRP 28 N -0.0024 -0.0037 0.0016 445 TRP 28 CA -0.0024 -0.0034 0.0016 446 TRP 28 C -0.0025 -0.0024 0.0016 447 TRP 28 O -0.0028 -0.0020 0.0012 448 TRP 28 CB -0.0020 -0.0036 0.0022 449 TRP 28 CG -0.0019 -0.0046 0.0023 450 TRP 28 CD1 -0.0015 -0.0052 0.0027 451 TRP 28 CD2 -0.0022 -0.0050 0.0018 452 TRP 28 NE1 -0.0016 -0.0060 0.0026 453 TRP 28 CE2 -0.0020 -0.0059 0.0021 454 TRP 28 CE3 -0.0027 -0.0048 0.0012 455 TRP 28 CZ2 -0.0022 -0.0065 0.0017 456 TRP 28 CZ3 -0.0029 -0.0054 0.0009 457 TRP 28 CH2 -0.0027 -0.0062 0.0012 458 TRP 28 H -0.0021 -0.0041 0.0020 459 TRP 28 HA -0.0028 -0.0036 0.0011 460 TRP 28 HB3 -0.0019 -0.0032 0.0023 461 TRP 28 HB2 -0.0016 -0.0035 0.0027 462 TRP 28 HD1 -0.0012 -0.0050 0.0031 463 TRP 28 HE1 -0.0014 -0.0065 0.0029 464 TRP 28 HE3 -0.0028 -0.0041 0.0011 465 TRP 28 HZ2 -0.0021 -0.0072 0.0019 466 TRP 28 HZ3 -0.0032 -0.0052 0.0005 467 TRP 28 HH2 -0.0029 -0.0067 0.0009 468 MET 29 N -0.0040 0.0028 -0.0033 469 MET 29 CA -0.0034 0.0027 -0.0036 470 MET 29 C -0.0035 0.0025 -0.0032 471 MET 29 O -0.0035 0.0027 -0.0036 472 MET 29 CB -0.0025 0.0023 -0.0037 473 MET 29 CG -0.0022 0.0025 -0.0043 474 MET 29 SD -0.0021 0.0031 -0.0052 475 MET 29 CE -0.0012 0.0027 -0.0053 476 MET 29 H -0.0038 0.0025 -0.0030 477 MET 29 HA -0.0034 0.0032 -0.0042 478 MET 29 HB3 -0.0021 0.0022 -0.0038 479 MET 29 HB2 -0.0025 0.0019 -0.0031 480 MET 29 HG3 -0.0017 0.0022 -0.0042 481 MET 29 HG2 -0.0027 0.0027 -0.0041 482 MET 29 HE1 -0.0011 0.0030 -0.0059 483 MET 29 HE2 -0.0007 0.0023 -0.0052 484 MET 29 HE3 -0.0014 0.0025 -0.0049 485 CYS 30 N -0.0053 0.0022 0.0013 486 CYS 30 CA -0.0046 0.0019 0.0021 487 CYS 30 C -0.0038 0.0019 0.0029 488 CYS 30 O -0.0034 0.0011 0.0036 489 CYS 30 CB -0.0043 0.0029 0.0021 490 CYS 30 SG -0.0035 0.0026 0.0030 491 CYS 30 H -0.0055 0.0030 0.0008 492 CYS 30 HA -0.0048 0.0010 0.0021 493 CYS 30 HB3 -0.0041 0.0038 0.0020 494 CYS 30 HB2 -0.0049 0.0030 0.0014 495 LEU 31 N -0.0039 -0.0027 0.0050 496 LEU 31 CA -0.0041 -0.0026 0.0049 497 LEU 31 C -0.0040 -0.0026 0.0047 498 LEU 31 O -0.0040 -0.0027 0.0046 499 LEU 31 CB -0.0043 -0.0025 0.0049 500 LEU 31 CG -0.0045 -0.0024 0.0049 501 LEU 31 CD1 -0.0045 -0.0024 0.0050 502 LEU 31 CD2 -0.0047 -0.0023 0.0048 503 LEU 31 H -0.0040 -0.0026 0.0051 504 LEU 31 HA -0.0040 -0.0026 0.0051 505 LEU 31 HB3 -0.0044 -0.0025 0.0048 506 LEU 31 HB2 -0.0044 -0.0025 0.0051 507 LEU 31 HG -0.0044 -0.0025 0.0047 508 LEU 31 HD11 -0.0046 -0.0024 0.0050 509 LEU 31 HD12 -0.0043 -0.0025 0.0050 510 LEU 31 HD13 -0.0045 -0.0024 0.0052 511 LEU 31 HD21 -0.0049 -0.0023 0.0047 512 LEU 31 HD22 -0.0048 -0.0023 0.0050 513 LEU 31 HD23 -0.0047 -0.0023 0.0047 514 ALA 32 N -0.0016 -0.0018 -0.0009 515 ALA 32 CA -0.0012 -0.0017 -0.0028 516 ALA 32 C 0.0002 -0.0031 -0.0026 517 ALA 32 O 0.0003 -0.0030 -0.0032 518 ALA 32 CB -0.0009 -0.0013 -0.0048 519 ALA 32 H -0.0015 -0.0018 -0.0011 520 ALA 32 HA -0.0022 -0.0007 -0.0028 521 ALA 32 HB1 -0.0006 -0.0012 -0.0062 522 ALA 32 HB2 -0.0020 -0.0002 -0.0050 523 ALA 32 HB3 0.0001 -0.0023 -0.0048 524 LYS 33 N -0.0006 -0.0007 -0.0020 525 LYS 33 CA 0.0006 -0.0023 -0.0017 526 LYS 33 C 0.0011 -0.0025 -0.0003 527 LYS 33 O 0.0017 -0.0034 -0.0005 528 LYS 33 CB 0.0012 -0.0030 -0.0012 529 LYS 33 CG 0.0025 -0.0048 -0.0014 530 LYS 33 CD 0.0034 -0.0054 0.0003 531 LYS 33 CE 0.0045 -0.0071 0.0000 532 LYS 33 NZ 0.0047 -0.0080 -0.0017 533 LYS 33 H -0.0009 -0.0002 -0.0018 534 LYS 33 HA 0.0007 -0.0030 -0.0030 535 LYS 33 HB3 0.0013 -0.0026 0.0002 536 LYS 33 HB2 0.0008 -0.0027 -0.0021 537 LYS 33 HG3 0.0027 -0.0053 -0.0020 538 LYS 33 HG2 0.0025 -0.0052 -0.0024 539 LYS 33 HD3 0.0031 -0.0048 0.0010 540 LYS 33 HD2 0.0034 -0.0052 0.0012 541 LYS 33 HE3 0.0046 -0.0073 -0.0000 542 LYS 33 HE2 0.0052 -0.0076 0.0012 543 LYS 33 HZ1 0.0043 -0.0078 -0.0028 544 LYS 33 HZ2 0.0044 -0.0076 -0.0018 545 LYS 33 HZ3 0.0055 -0.0091 -0.0016 546 TRP 34 N -0.0052 -0.0027 0.0059 547 TRP 34 CA -0.0038 -0.0030 0.0085 548 TRP 34 C -0.0031 -0.0023 0.0098 549 TRP 34 O -0.0021 -0.0032 0.0119 550 TRP 34 CB -0.0032 -0.0016 0.0095 551 TRP 34 CG -0.0038 -0.0030 0.0085 552 TRP 34 CD1 -0.0047 -0.0021 0.0068 553 TRP 34 CD2 -0.0037 -0.0057 0.0092 554 TRP 34 NE1 -0.0051 -0.0040 0.0063 555 TRP 34 CE2 -0.0045 -0.0063 0.0079 556 TRP 34 CE3 -0.0029 -0.0077 0.0110 557 TRP 34 CZ2 -0.0046 -0.0087 0.0081 558 TRP 34 CZ3 -0.0030 -0.0101 0.0112 559 TRP 34 CH2 -0.0038 -0.0106 0.0098 560 TRP 34 H -0.0055 -0.0010 0.0050 561 TRP 34 HA -0.0038 -0.0051 0.0089 562 TRP 34 HB3 -0.0022 -0.0017 0.0114 563 TRP 34 HB2 -0.0034 0.0005 0.0088 564 TRP 34 HD1 -0.0050 -0.0001 0.0059 565 TRP 34 HE1 -0.0057 -0.0036 0.0051 566 TRP 34 HE3 -0.0023 -0.0073 0.0121 567 TRP 34 HZ2 -0.0052 -0.0090 0.0070 568 TRP 34 HZ3 -0.0025 -0.0117 0.0125 569 TRP 34 HH2 -0.0039 -0.0125 0.0100 570 GLU 35 N -0.0025 -0.0051 0.0045 571 GLU 35 CA -0.0035 -0.0041 0.0040 572 GLU 35 C -0.0030 -0.0040 0.0025 573 GLU 35 O -0.0034 -0.0037 0.0025 574 GLU 35 CB -0.0047 -0.0030 0.0036 575 GLU 35 CG -0.0056 -0.0028 0.0051 576 GLU 35 CD -0.0065 -0.0025 0.0063 577 GLU 35 OE1 -0.0065 -0.0023 0.0059 578 GLU 35 OE2 -0.0071 -0.0025 0.0077 579 GLU 35 H -0.0024 -0.0051 0.0042 580 GLU 35 HA -0.0040 -0.0041 0.0050 581 GLU 35 HB3 -0.0053 -0.0023 0.0029 582 GLU 35 HB2 -0.0042 -0.0031 0.0028 583 GLU 35 HG3 -0.0062 -0.0021 0.0048 584 GLU 35 HG2 -0.0049 -0.0036 0.0058 585 SER 36 N -0.0005 -0.0058 -0.0022 586 SER 36 CA 0.0000 -0.0057 -0.0047 587 SER 36 C 0.0021 -0.0076 -0.0062 588 SER 36 O 0.0027 -0.0077 -0.0083 589 SER 36 CB -0.0012 -0.0037 -0.0068 590 SER 36 OG -0.0007 -0.0040 -0.0079 591 SER 36 H -0.0000 -0.0063 -0.0023 592 SER 36 HA -0.0003 -0.0055 -0.0041 593 SER 36 HB3 -0.0027 -0.0023 -0.0058 594 SER 36 HB2 -0.0010 -0.0035 -0.0086 595 SER 36 HG -0.0016 -0.0032 -0.0070 596 GLY 37 N 0.0032 -0.0053 -0.0057 597 GLY 37 CA 0.0067 -0.0073 -0.0077 598 GLY 37 C 0.0075 -0.0059 -0.0114 599 GLY 37 O 0.0099 -0.0065 -0.0141 600 GLY 37 H 0.0023 -0.0059 -0.0031 601 GLY 37 HA3 0.0075 -0.0078 -0.0082 602 GLY 37 HA2 0.0079 -0.0094 -0.0060 603 TYR 38 N 0.0060 -0.0018 -0.0135 604 TYR 38 CA 0.0047 -0.0019 -0.0142 605 TYR 38 C 0.0043 -0.0026 -0.0159 606 TYR 38 O 0.0038 -0.0029 -0.0168 607 TYR 38 CB 0.0051 -0.0018 -0.0139 608 TYR 38 CG 0.0057 -0.0011 -0.0123 609 TYR 38 CD1 0.0049 -0.0004 -0.0110 610 TYR 38 CD2 0.0070 -0.0012 -0.0120 611 TYR 38 CE1 0.0054 0.0002 -0.0095 612 TYR 38 CE2 0.0075 -0.0006 -0.0106 613 TYR 38 CZ 0.0067 0.0001 -0.0093 614 TYR 38 OH 0.0071 0.0007 -0.0078 615 TYR 38 H 0.0056 -0.0013 -0.0127 616 TYR 38 HA 0.0036 -0.0014 -0.0136 617 TYR 38 HB3 0.0041 -0.0018 -0.0143 618 TYR 38 HB2 0.0061 -0.0023 -0.0147 619 TYR 38 HD1 0.0038 -0.0003 -0.0111 620 TYR 38 HD2 0.0077 -0.0018 -0.0130 621 TYR 38 HE1 0.0047 0.0008 -0.0086 622 TYR 38 HE2 0.0085 -0.0007 -0.0104 623 TYR 38 HH 0.0066 0.0012 -0.0071 624 ASN 39 N 0.0073 -0.0064 -0.0179 625 ASN 39 CA 0.0068 -0.0045 -0.0198 626 ASN 39 C 0.0044 -0.0009 -0.0198 627 ASN 39 O 0.0026 0.0001 -0.0170 628 ASN 39 CB 0.0070 -0.0059 -0.0179 629 ASN 39 CG 0.0065 -0.0041 -0.0196 630 ASN 39 OD1 0.0064 -0.0021 -0.0225 631 ASN 39 ND2 0.0062 -0.0049 -0.0176 632 ASN 39 H 0.0062 -0.0065 -0.0152 633 ASN 39 HA 0.0082 -0.0048 -0.0226 634 ASN 39 HB3 0.0057 -0.0058 -0.0150 635 ASN 39 HB2 0.0087 -0.0085 -0.0179 636 ASN 39 HD22 0.0059 -0.0039 -0.0185 637 ASN 39 HD21 0.0063 -0.0066 -0.0152 638 THR 40 N 0.0065 -0.0023 -0.0204 639 THR 40 CA 0.0051 0.0011 -0.0207 640 THR 40 C 0.0037 0.0029 -0.0194 641 THR 40 O 0.0022 0.0056 -0.0188 642 THR 40 CB 0.0059 0.0028 -0.0241 643 THR 40 OG1 0.0068 0.0027 -0.0262 644 THR 40 CG2 0.0071 0.0013 -0.0255 645 THR 40 H 0.0079 -0.0032 -0.0225 646 THR 40 HA 0.0043 0.0015 -0.0192 647 THR 40 HB 0.0047 0.0053 -0.0241 648 THR 40 HG1 0.0065 0.0047 -0.0277 649 THR 40 HG21 0.0076 0.0027 -0.0280 650 THR 40 HG22 0.0064 0.0015 -0.0240 651 THR 40 HG23 0.0083 -0.0012 -0.0257 652 ARG 41 N 0.0121 -0.0016 -0.0204 653 ARG 41 CA 0.0036 0.0090 -0.0157 654 ARG 41 C -0.0089 0.0041 -0.0075 655 ARG 41 O -0.0168 0.0121 -0.0030 656 ARG 41 CB 0.0063 0.0119 -0.0175 657 ARG 41 CG 0.0038 0.0265 -0.0169 658 ARG 41 CD 0.0051 0.0280 -0.0178 659 ARG 41 NE -0.0057 0.0336 -0.0113 660 ARG 41 CZ -0.0098 0.0465 -0.0095 661 ARG 41 NH1 -0.0027 0.0570 -0.0147 662 ARG 41 NH2 -0.0213 0.0492 -0.0025 663 ARG 41 H 0.0153 -0.0080 -0.0220 664 ARG 41 HA 0.0045 0.0184 -0.0168 665 ARG 41 HB3 0.0013 0.0050 -0.0140 666 ARG 41 HB2 0.0154 0.0091 -0.0231 667 ARG 41 HG3 0.0098 0.0333 -0.0211 668 ARG 41 HG2 -0.0050 0.0296 -0.0115 669 ARG 41 HD3 0.0073 0.0180 -0.0185 670 ARG 41 HD2 0.0123 0.0349 -0.0227 671 ARG 41 HE -0.0101 0.0268 -0.0081 672 ARG 41 HH12 -0.0060 0.0667 -0.0132 673 ARG 41 HH11 0.0061 0.0553 -0.0201 674 ARG 41 HH22 -0.0244 0.0590 -0.0011 675 ARG 41 HH21 -0.0269 0.0414 0.0015 676 ALA 42 N -0.0041 0.0035 -0.0080 677 ALA 42 CA -0.0066 0.0019 -0.0050 678 ALA 42 C -0.0088 0.0047 -0.0032 679 ALA 42 O -0.0084 0.0064 -0.0040 680 ALA 42 CB -0.0062 -0.0018 -0.0045 681 ALA 42 H -0.0026 0.0020 -0.0093 682 ALA 42 HA -0.0071 0.0014 -0.0043 683 ALA 42 HB1 -0.0081 -0.0029 -0.0022 684 ALA 42 HB2 -0.0047 -0.0039 -0.0057 685 ALA 42 HB3 -0.0056 -0.0014 -0.0053 686 THR 43 N -0.0155 0.0044 0.0033 687 THR 43 CA -0.0163 0.0062 0.0049 688 THR 43 C -0.0191 0.0045 0.0068 689 THR 43 O -0.0205 0.0033 0.0076 690 THR 43 CB -0.0161 0.0096 0.0063 691 THR 43 OG1 -0.0177 0.0094 0.0077 692 THR 43 CG2 -0.0134 0.0115 0.0046 693 THR 43 H -0.0166 0.0036 0.0041 694 THR 43 HA -0.0152 0.0063 0.0039 695 THR 43 HB -0.0169 0.0108 0.0075 696 THR 43 HG1 -0.0194 0.0083 0.0087 697 THR 43 HG21 -0.0134 0.0139 0.0056 698 THR 43 HG22 -0.0123 0.0116 0.0036 699 THR 43 HG23 -0.0127 0.0104 0.0034 700 ASN 44 N -0.0162 0.0025 0.0087 701 ASN 44 CA -0.0147 0.0031 0.0083 702 ASN 44 C -0.0111 0.0031 0.0089 703 ASN 44 O -0.0096 0.0043 0.0078 704 ASN 44 CB -0.0155 0.0055 0.0058 705 ASN 44 CG -0.0139 0.0064 0.0051 706 ASN 44 OD1 -0.0142 0.0052 0.0062 707 ASN 44 ND2 -0.0122 0.0084 0.0033 708 ASN 44 H -0.0152 0.0031 0.0083 709 ASN 44 HA -0.0157 0.0018 0.0095 710 ASN 44 HB3 -0.0149 0.0066 0.0047 711 ASN 44 HB2 -0.0181 0.0055 0.0054 712 ASN 44 HD22 -0.0111 0.0091 0.0027 713 ASN 44 HD21 -0.0121 0.0093 0.0024 714 TYR 45 N 0.0025 0.0008 0.0078 715 TYR 45 CA 0.0050 -0.0003 0.0073 716 TYR 45 C 0.0125 0.0060 0.0113 717 TYR 45 O 0.0195 0.0068 0.0120 718 TYR 45 CB 0.0087 -0.0089 0.0024 719 TYR 45 CG 0.0115 -0.0105 0.0016 720 TYR 45 CD1 0.0050 -0.0099 0.0017 721 TYR 45 CD2 0.0211 -0.0128 0.0008 722 TYR 45 CE1 0.0078 -0.0113 0.0010 723 TYR 45 CE2 0.0236 -0.0142 0.0001 724 TYR 45 CZ 0.0171 -0.0136 0.0001 725 TYR 45 OH 0.0198 -0.0149 -0.0005 726 TYR 45 H 0.0061 -0.0027 0.0059 727 TYR 45 HA -0.0014 0.0009 0.0076 728 TYR 45 HB3 0.0148 -0.0103 0.0019 729 TYR 45 HB2 0.0033 -0.0133 -0.0004 730 TYR 45 HD1 -0.0024 -0.0083 0.0022 731 TYR 45 HD2 0.0263 -0.0134 0.0007 732 TYR 45 HE1 0.0026 -0.0106 0.0012 733 TYR 45 HE2 0.0309 -0.0157 -0.0005 734 TYR 45 HH 0.0151 -0.0124 0.0007 735 ASN 46 N 0.0119 -0.0012 0.0083 736 ASN 46 CA 0.0164 0.0028 0.0109 737 ASN 46 C 0.0202 0.0004 0.0104 738 ASN 46 O 0.0183 0.0006 0.0102 739 ASN 46 CB 0.0130 0.0084 0.0129 740 ASN 46 CG 0.0090 0.0108 0.0134 741 ASN 46 OD1 0.0112 0.0122 0.0145 742 ASN 46 ND2 0.0030 0.0110 0.0125 743 ASN 46 H 0.0081 -0.0014 0.0076 744 ASN 46 HA 0.0194 0.0034 0.0117 745 ASN 46 HB3 0.0163 0.0113 0.0149 746 ASN 46 HB2 0.0102 0.0077 0.0121 747 ASN 46 HD22 0.0002 0.0126 0.0128 748 ASN 46 HD21 0.0012 0.0096 0.0116 749 ALA 47 N 0.0488 0.0047 0.0128 750 ALA 47 CA 0.0550 -0.0037 0.0003 751 ALA 47 C 0.0514 0.0033 0.0104 752 ALA 47 O 0.0459 -0.0037 0.0016 753 ALA 47 CB 0.0808 -0.0062 -0.0066 754 ALA 47 H 0.0613 0.0076 0.0150 755 ALA 47 HA 0.0443 -0.0137 -0.0119 756 ALA 47 HB1 0.0860 -0.0125 -0.0160 757 ALA 47 HB2 0.0831 -0.0115 -0.0143 758 ALA 47 HB3 0.0917 0.0038 0.0055 759 GLY 48 N 0.0548 0.0039 0.0198 760 GLY 48 CA 0.0503 0.0078 0.0287 761 GLY 48 C 0.0277 0.0035 0.0296 762 GLY 48 O 0.0230 0.0006 0.0262 763 GLY 48 H 0.0602 0.0093 0.0276 764 GLY 48 HA3 0.0553 0.0168 0.0430 765 GLY 48 HA2 0.0603 0.0058 0.0212 766 ASP 49 N 0.0087 -0.0038 0.0176 767 ASP 49 CA 0.0035 -0.0022 0.0175 768 ASP 49 C 0.0011 -0.0026 0.0125 769 ASP 49 O -0.0033 -0.0013 0.0120 770 ASP 49 CB 0.0020 -0.0007 0.0215 771 ASP 49 CG 0.0023 -0.0011 0.0206 772 ASP 49 OD1 0.0041 -0.0025 0.0169 773 ASP 49 OD2 0.0002 0.0002 0.0234 774 ASP 49 H 0.0105 -0.0046 0.0168 775 ASP 49 HA 0.0023 -0.0016 0.0184 776 ASP 49 HB3 0.0040 -0.0006 0.0249 777 ASP 49 HB2 -0.0017 0.0006 0.0224 778 ARG 50 N 0.0043 -0.0016 0.0108 779 ARG 50 CA 0.0030 -0.0009 0.0047 780 ARG 50 C 0.0028 -0.0016 0.0080 781 ARG 50 O -0.0001 -0.0016 0.0038 782 ARG 50 CB -0.0044 -0.0020 -0.0009 783 ARG 50 CG -0.0028 -0.0005 -0.0068 784 ARG 50 CD -0.0104 -0.0018 -0.0119 785 ARG 50 NE -0.0127 -0.0028 -0.0099 786 ARG 50 CZ -0.0181 -0.0035 -0.0140 787 ARG 50 NH1 -0.0185 -0.0022 -0.0222 788 ARG 50 NH2 -0.0225 -0.0054 -0.0100 789 ARG 50 H 0.0097 -0.0002 0.0108 790 ARG 50 HA 0.0082 0.0011 0.0008 791 ARG 50 HB3 -0.0062 -0.0019 -0.0043 792 ARG 50 HB2 -0.0094 -0.0040 0.0029 793 ARG 50 HG3 -0.0006 -0.0005 -0.0034 794 ARG 50 HG2 0.0019 0.0015 -0.0110 795 ARG 50 HD3 -0.0092 -0.0003 -0.0184 796 ARG 50 HD2 -0.0152 -0.0033 -0.0104 797 ARG 50 HE -0.0098 -0.0028 -0.0048 798 ARG 50 HH12 -0.0226 -0.0028 -0.0255 799 ARG 50 HH11 -0.0147 -0.0007 -0.0252 800 ARG 50 HH22 -0.0267 -0.0060 -0.0130 801 ARG 50 HH21 -0.0218 -0.0063 -0.0038 802 SER 51 N -0.0031 -0.0002 0.0078 803 SER 51 CA -0.0047 -0.0000 0.0084 804 SER 51 C -0.0043 0.0001 0.0083 805 SER 51 O -0.0028 0.0003 0.0081 806 SER 51 CB -0.0052 0.0014 0.0097 807 SER 51 OG -0.0041 0.0025 0.0103 808 SER 51 H -0.0022 0.0006 0.0082 809 SER 51 HA -0.0058 -0.0009 0.0079 810 SER 51 HB3 -0.0053 0.0014 0.0097 811 SER 51 HB2 -0.0066 0.0014 0.0101 812 SER 51 HG -0.0031 0.0027 0.0102 813 THR 52 N -0.0060 0.0019 0.0067 814 THR 52 CA -0.0071 0.0021 0.0071 815 THR 52 C -0.0081 0.0029 0.0071 816 THR 52 O -0.0080 0.0028 0.0072 817 THR 52 CB -0.0075 0.0010 0.0079 818 THR 52 OG1 -0.0066 0.0003 0.0078 819 THR 52 CG2 -0.0087 0.0012 0.0084 820 THR 52 H -0.0060 0.0016 0.0068 821 THR 52 HA -0.0070 0.0026 0.0068 822 THR 52 HB -0.0076 0.0006 0.0082 823 THR 52 HG1 -0.0059 0.0005 0.0074 824 THR 52 HG21 -0.0089 0.0003 0.0089 825 THR 52 HG22 -0.0094 0.0017 0.0084 826 THR 52 HG23 -0.0086 0.0016 0.0081 827 ASP 53 N -0.0108 0.0041 0.0053 828 ASP 53 CA -0.0112 0.0042 0.0044 829 ASP 53 C -0.0117 0.0039 0.0047 830 ASP 53 O -0.0123 0.0035 0.0052 831 ASP 53 CB -0.0117 0.0042 0.0039 832 ASP 53 CG -0.0112 0.0045 0.0037 833 ASP 53 OD1 -0.0105 0.0049 0.0034 834 ASP 53 OD2 -0.0116 0.0043 0.0038 835 ASP 53 H -0.0112 0.0038 0.0056 836 ASP 53 HA -0.0106 0.0046 0.0041 837 ASP 53 HB3 -0.0120 0.0043 0.0032 838 ASP 53 HB2 -0.0123 0.0038 0.0042 839 TYR 54 N -0.0081 0.0024 0.0006 840 TYR 54 CA -0.0077 0.0030 0.0014 841 TYR 54 C -0.0075 0.0021 -0.0004 842 TYR 54 O -0.0062 0.0016 -0.0022 843 TYR 54 CB -0.0053 0.0042 0.0024 844 TYR 54 CG -0.0053 0.0053 0.0045 845 TYR 54 CD1 -0.0047 0.0054 0.0044 846 TYR 54 CD2 -0.0057 0.0062 0.0065 847 TYR 54 CE1 -0.0047 0.0065 0.0064 848 TYR 54 CE2 -0.0057 0.0072 0.0085 849 TYR 54 CZ -0.0051 0.0073 0.0084 850 TYR 54 OH -0.0051 0.0083 0.0104 851 TYR 54 H -0.0070 0.0022 -0.0006 852 TYR 54 HA -0.0091 0.0032 0.0028 853 TYR 54 HB3 -0.0047 0.0045 0.0026 854 TYR 54 HB2 -0.0039 0.0040 0.0011 855 TYR 54 HD1 -0.0043 0.0048 0.0029 856 TYR 54 HD2 -0.0060 0.0061 0.0066 857 TYR 54 HE1 -0.0043 0.0066 0.0064 858 TYR 54 HE2 -0.0062 0.0078 0.0101 859 TYR 54 HH -0.0044 0.0084 0.0101 860 GLY 55 N -0.0053 0.0041 -0.0053 861 GLY 55 CA -0.0034 0.0030 -0.0073 862 GLY 55 C -0.0033 0.0001 -0.0075 863 GLY 55 O -0.0046 -0.0015 -0.0062 864 GLY 55 H -0.0060 0.0044 -0.0046 865 GLY 55 HA3 -0.0024 0.0041 -0.0082 866 GLY 55 HA2 -0.0028 0.0034 -0.0078 867 ILE 56 N -0.0014 0.0014 -0.0115 868 ILE 56 CA -0.0004 -0.0005 -0.0110 869 ILE 56 C -0.0011 -0.0014 -0.0093 870 ILE 56 O -0.0006 -0.0031 -0.0084 871 ILE 56 CB 0.0011 -0.0008 -0.0126 872 ILE 56 CG1 0.0025 -0.0028 -0.0125 873 ILE 56 CG2 0.0006 0.0001 -0.0128 874 ILE 56 CD1 0.0040 -0.0030 -0.0142 875 ILE 56 H -0.0012 0.0023 -0.0125 876 ILE 56 HA 0.0001 -0.0013 -0.0109 877 ILE 56 HB 0.0015 0.0000 -0.0138 878 ILE 56 HG13 0.0026 -0.0034 -0.0120 879 ILE 56 HG12 0.0022 -0.0036 -0.0114 880 ILE 56 HG21 0.0017 -0.0001 -0.0139 881 ILE 56 HG22 -0.0002 0.0016 -0.0130 882 ILE 56 HG23 0.0001 -0.0006 -0.0115 883 ILE 56 HD11 0.0050 -0.0044 -0.0140 884 ILE 56 HD12 0.0044 -0.0022 -0.0152 885 ILE 56 HD13 0.0039 -0.0024 -0.0146 886 PHE 57 N -0.0032 -0.0022 -0.0042 887 PHE 57 CA -0.0039 -0.0027 -0.0032 888 PHE 57 C -0.0050 -0.0023 -0.0023 889 PHE 57 O -0.0056 -0.0027 -0.0015 890 PHE 57 CB -0.0038 -0.0023 -0.0034 891 PHE 57 CG -0.0028 -0.0028 -0.0043 892 PHE 57 CD1 -0.0022 -0.0041 -0.0041 893 PHE 57 CD2 -0.0024 -0.0019 -0.0052 894 PHE 57 CE1 -0.0012 -0.0045 -0.0049 895 PHE 57 CE2 -0.0014 -0.0023 -0.0059 896 PHE 57 CZ -0.0008 -0.0036 -0.0058 897 PHE 57 H -0.0033 -0.0012 -0.0046 898 PHE 57 HA -0.0035 -0.0038 -0.0030 899 PHE 57 HB3 -0.0044 -0.0027 -0.0027 900 PHE 57 HB2 -0.0042 -0.0013 -0.0037 901 PHE 57 HD1 -0.0025 -0.0048 -0.0034 902 PHE 57 HD2 -0.0028 -0.0009 -0.0053 903 PHE 57 HE1 -0.0008 -0.0055 -0.0048 904 PHE 57 HE2 -0.0011 -0.0016 -0.0066 905 PHE 57 HZ -0.0001 -0.0039 -0.0064 906 GLN 58 N -0.0066 0.0002 -0.0018 907 GLN 58 CA -0.0082 0.0007 -0.0007 908 GLN 58 C -0.0084 0.0012 -0.0004 909 GLN 58 O -0.0095 0.0005 0.0002 910 GLN 58 CB -0.0093 -0.0007 -0.0001 911 GLN 58 CG -0.0093 -0.0009 -0.0002 912 GLN 58 CD -0.0099 0.0007 0.0005 913 GLN 58 OE1 -0.0113 0.0008 0.0014 914 GLN 58 NE2 -0.0090 0.0020 0.0000 915 GLN 58 H -0.0059 0.0008 -0.0021 916 GLN 58 HA -0.0083 0.0019 -0.0004 917 GLN 58 HB3 -0.0105 -0.0004 0.0007 918 GLN 58 HB2 -0.0091 -0.0020 -0.0004 919 GLN 58 HG3 -0.0100 -0.0021 0.0001 920 GLN 58 HG2 -0.0081 -0.0010 -0.0010 921 GLN 58 HE22 -0.0093 0.0032 0.0004 922 GLN 58 HE21 -0.0078 0.0020 -0.0007 923 ILE 59 N -0.0055 -0.0027 -0.0000 924 ILE 59 CA -0.0043 -0.0032 -0.0004 925 ILE 59 C -0.0046 -0.0026 0.0003 926 ILE 59 O -0.0048 -0.0017 0.0016 927 ILE 59 CB -0.0025 -0.0032 -0.0001 928 ILE 59 CG1 -0.0022 -0.0040 -0.0011 929 ILE 59 CG2 -0.0012 -0.0035 -0.0002 930 ILE 59 CD1 -0.0007 -0.0039 -0.0007 931 ILE 59 H -0.0051 -0.0023 0.0007 932 ILE 59 HA -0.0045 -0.0040 -0.0015 933 ILE 59 HB -0.0024 -0.0025 0.0010 934 ILE 59 HG13 -0.0033 -0.0039 -0.0012 935 ILE 59 HG12 -0.0021 -0.0048 -0.0021 936 ILE 59 HG21 0.0001 -0.0035 0.0001 937 ILE 59 HG22 -0.0014 -0.0029 0.0006 938 ILE 59 HG23 -0.0013 -0.0042 -0.0012 939 ILE 59 HD11 -0.0006 -0.0045 -0.0014 940 ILE 59 HD12 -0.0009 -0.0032 0.0003 941 ILE 59 HD13 0.0004 -0.0040 -0.0006 942 ASN 60 N -0.0043 -0.0022 0.0030 943 ASN 60 CA -0.0045 -0.0019 0.0037 944 ASN 60 C -0.0028 -0.0016 0.0046 945 ASN 60 O -0.0013 -0.0020 0.0041 946 ASN 60 CB -0.0050 -0.0024 0.0022 947 ASN 60 CG -0.0055 -0.0022 0.0027 948 ASN 60 OD1 -0.0044 -0.0023 0.0027 949 ASN 60 ND2 -0.0071 -0.0018 0.0034 950 ASN 60 H -0.0039 -0.0027 0.0018 951 ASN 60 HA -0.0056 -0.0014 0.0046 952 ASN 60 HB3 -0.0039 -0.0029 0.0013 953 ASN 60 HB2 -0.0062 -0.0026 0.0015 954 ASN 60 HD22 -0.0075 -0.0016 0.0038 955 ASN 60 HD21 -0.0080 -0.0017 0.0035 956 SER 61 N -0.0024 -0.0026 0.0048 957 SER 61 CA -0.0008 -0.0027 0.0061 958 SER 61 C -0.0002 -0.0041 0.0046 959 SER 61 O 0.0014 -0.0044 0.0056 960 SER 61 CB -0.0018 -0.0007 0.0079 961 SER 61 OG -0.0039 -0.0003 0.0067 962 SER 61 H -0.0042 -0.0015 0.0048 963 SER 61 HA 0.0009 -0.0031 0.0070 964 SER 61 HB3 -0.0023 0.0003 0.0090 965 SER 61 HB2 -0.0004 -0.0008 0.0090 966 SER 61 HG -0.0039 0.0002 0.0075 967 ARG 62 N -0.0006 -0.0085 0.0059 968 ARG 62 CA -0.0007 -0.0088 0.0057 969 ARG 62 C 0.0016 -0.0098 0.0046 970 ARG 62 O 0.0026 -0.0093 0.0047 971 ARG 62 CB -0.0031 -0.0102 0.0052 972 ARG 62 CG -0.0032 -0.0106 0.0049 973 ARG 62 CD -0.0059 -0.0110 0.0052 974 ARG 62 NE -0.0069 -0.0090 0.0067 975 ARG 62 CZ -0.0088 -0.0083 0.0075 976 ARG 62 NH1 -0.0097 -0.0096 0.0069 977 ARG 62 NH2 -0.0100 -0.0067 0.0088 978 ARG 62 H -0.0016 -0.0095 0.0054 979 ARG 62 HA -0.0007 -0.0072 0.0067 980 ARG 62 HB3 -0.0033 -0.0117 0.0042 981 ARG 62 HB2 -0.0048 -0.0094 0.0061 982 ARG 62 HG3 -0.0022 -0.0093 0.0057 983 ARG 62 HG2 -0.0022 -0.0121 0.0038 984 ARG 62 HD3 -0.0060 -0.0121 0.0045 985 ARG 62 HD2 -0.0070 -0.0118 0.0049 986 ARG 62 HE -0.0061 -0.0081 0.0072 987 ARG 62 HH12 -0.0112 -0.0092 0.0074 988 ARG 62 HH11 -0.0090 -0.0110 0.0058 989 ARG 62 HH22 -0.0115 -0.0063 0.0094 990 ARG 62 HH21 -0.0095 -0.0060 0.0092 991 TYR 63 N 0.0046 -0.0151 -0.0022 992 TYR 63 CA 0.0072 -0.0174 -0.0029 993 TYR 63 C 0.0092 -0.0174 -0.0001 994 TYR 63 O 0.0119 -0.0194 -0.0001 995 TYR 63 CB 0.0058 -0.0180 -0.0059 996 TYR 63 CG 0.0037 -0.0181 -0.0088 997 TYR 63 CD1 0.0051 -0.0201 -0.0107 998 TYR 63 CD2 0.0006 -0.0162 -0.0097 999 TYR 63 CE1 0.0033 -0.0203 -0.0134 1000 TYR 63 CE2 -0.0012 -0.0163 -0.0124 1001 TYR 63 CZ 0.0002 -0.0183 -0.0142 1002 TYR 63 OH -0.0015 -0.0185 -0.0169 1003 TYR 63 H 0.0028 -0.0136 -0.0021 1004 TYR 63 HA 0.0086 -0.0189 -0.0037 1005 TYR 63 HB3 0.0076 -0.0198 -0.0066 1006 TYR 63 HB2 0.0045 -0.0165 -0.0051 1007 TYR 63 HD1 0.0075 -0.0216 -0.0100 1008 TYR 63 HD2 -0.0004 -0.0146 -0.0083 1009 TYR 63 HE1 0.0044 -0.0219 -0.0148 1010 TYR 63 HE2 -0.0036 -0.0148 -0.0131 1011 TYR 63 HH -0.0034 -0.0177 -0.0179 1012 TRP 64 N 0.0042 -0.0124 -0.0003 1013 TRP 64 CA 0.0049 -0.0124 0.0007 1014 TRP 64 C 0.0054 -0.0119 0.0017 1015 TRP 64 O 0.0062 -0.0124 0.0024 1016 TRP 64 CB 0.0046 -0.0118 0.0007 1017 TRP 64 CG 0.0043 -0.0124 -0.0003 1018 TRP 64 CD1 0.0034 -0.0119 -0.0011 1019 TRP 64 CD2 0.0047 -0.0135 -0.0006 1020 TRP 64 NE1 0.0033 -0.0127 -0.0018 1021 TRP 64 CE2 0.0041 -0.0136 -0.0016 1022 TRP 64 CE3 0.0056 -0.0143 -0.0001 1023 TRP 64 CZ2 0.0044 -0.0147 -0.0021 1024 TRP 64 CZ3 0.0059 -0.0154 -0.0006 1025 TRP 64 CH2 0.0052 -0.0155 -0.0016 1026 TRP 64 H 0.0037 -0.0116 -0.0005 1027 TRP 64 HA 0.0054 -0.0133 0.0006 1028 TRP 64 HB3 0.0052 -0.0119 0.0015 1029 TRP 64 HB2 0.0041 -0.0109 0.0008 1030 TRP 64 HD1 0.0029 -0.0110 -0.0010 1031 TRP 64 HE1 0.0028 -0.0125 -0.0025 1032 TRP 64 HE3 0.0061 -0.0142 0.0007 1033 TRP 64 HZ2 0.0039 -0.0148 -0.0028 1034 TRP 64 HZ3 0.0065 -0.0160 -0.0002 1035 TRP 64 HH2 0.0055 -0.0163 -0.0020 1036 CYS 65 N 0.0076 -0.0058 0.0015 1037 CYS 65 CA 0.0090 -0.0037 0.0042 1038 CYS 65 C 0.0078 -0.0022 0.0055 1039 CYS 65 O 0.0055 -0.0025 0.0045 1040 CYS 65 CB 0.0080 -0.0023 0.0054 1041 CYS 65 SG 0.0036 -0.0012 0.0054 1042 CYS 65 H 0.0051 -0.0057 0.0010 1043 CYS 65 HA 0.0117 -0.0042 0.0043 1044 CYS 65 HB3 0.0088 -0.0034 0.0044 1045 CYS 65 HB2 0.0093 -0.0009 0.0073 1046 ASN 66 N 0.0125 -0.0008 0.0062 1047 ASN 66 CA 0.0116 0.0013 0.0085 1048 ASN 66 C 0.0090 0.0046 0.0118 1049 ASN 66 O 0.0108 0.0062 0.0143 1050 ASN 66 CB 0.0163 0.0014 0.0099 1051 ASN 66 CG 0.0155 0.0035 0.0122 1052 ASN 66 OD1 0.0122 0.0032 0.0110 1053 ASN 66 ND2 0.0185 0.0054 0.0153 1054 ASN 66 H 0.0153 -0.0006 0.0073 1055 ASN 66 HA 0.0093 0.0002 0.0066 1056 ASN 66 HB3 0.0187 0.0024 0.0118 1057 ASN 66 HB2 0.0182 -0.0010 0.0075 1058 ASN 66 HD22 0.0182 0.0069 0.0170 1059 ASN 66 HD21 0.0211 0.0055 0.0161 1060 ASP 67 N 0.0074 0.0057 0.0112 1061 ASP 67 CA 0.0058 0.0079 0.0133 1062 ASP 67 C 0.0056 0.0095 0.0150 1063 ASP 67 O 0.0042 0.0114 0.0169 1064 ASP 67 CB 0.0026 0.0075 0.0130 1065 ASP 67 CG -0.0001 0.0065 0.0119 1066 ASP 67 OD1 0.0003 0.0062 0.0116 1067 ASP 67 OD2 -0.0027 0.0060 0.0113 1068 ASP 67 H 0.0063 0.0048 0.0102 1069 ASP 67 HA 0.0074 0.0087 0.0141 1070 ASP 67 HB3 0.0031 0.0065 0.0119 1071 ASP 67 HB2 0.0018 0.0092 0.0146 1072 GLY 68 N 0.0091 0.0081 0.0156 1073 GLY 68 CA 0.0096 0.0099 0.0182 1074 GLY 68 C 0.0056 0.0100 0.0185 1075 GLY 68 O 0.0062 0.0109 0.0198 1076 GLY 68 H 0.0107 0.0063 0.0130 1077 GLY 68 HA3 0.0103 0.0119 0.0209 1078 GLY 68 HA2 0.0127 0.0096 0.0175 1079 LYS 69 N 0.0020 0.0075 0.0124 1080 LYS 69 CA 0.0003 0.0070 0.0145 1081 LYS 69 C -0.0005 0.0053 0.0153 1082 LYS 69 O -0.0018 0.0045 0.0169 1083 LYS 69 CB 0.0001 0.0061 0.0147 1084 LYS 69 CG 0.0006 0.0037 0.0134 1085 LYS 69 CD 0.0001 0.0027 0.0139 1086 LYS 69 CE 0.0002 -0.0001 0.0132 1087 LYS 69 NZ 0.0012 -0.0005 0.0116 1088 LYS 69 H 0.0026 0.0061 0.0113 1089 LYS 69 HA -0.0001 0.0087 0.0154 1090 LYS 69 HB3 0.0006 0.0075 0.0143 1091 LYS 69 HB2 -0.0011 0.0058 0.0163 1092 LYS 69 HG3 0.0003 0.0023 0.0136 1093 LYS 69 HG2 0.0019 0.0040 0.0118 1094 LYS 69 HD3 0.0008 0.0037 0.0131 1095 LYS 69 HD2 -0.0010 0.0029 0.0155 1096 LYS 69 HE3 -0.0009 -0.0011 0.0145 1097 LYS 69 HE2 0.0005 -0.0007 0.0125 1098 LYS 69 HZ1 0.0013 -0.0023 0.0112 1099 LYS 69 HZ2 0.0009 0.0001 0.0122 1100 LYS 69 HZ3 0.0023 0.0004 0.0104 1101 THR 70 N -0.0031 0.0014 0.0103 1102 THR 70 CA -0.0042 -0.0005 0.0089 1103 THR 70 C -0.0044 -0.0024 0.0081 1104 THR 70 O -0.0026 -0.0035 0.0086 1105 THR 70 CB -0.0027 -0.0018 0.0092 1106 THR 70 OG1 -0.0025 -0.0000 0.0100 1107 THR 70 CG2 -0.0041 -0.0036 0.0078 1108 THR 70 H -0.0013 0.0010 0.0111 1109 THR 70 HA -0.0059 0.0003 0.0083 1110 THR 70 HB -0.0011 -0.0027 0.0098 1111 THR 70 HG1 -0.0018 0.0012 0.0109 1112 THR 70 HG21 -0.0030 -0.0046 0.0080 1113 THR 70 HG22 -0.0044 -0.0049 0.0071 1114 THR 70 HG23 -0.0056 -0.0026 0.0073 1115 PRO 71 N -0.0099 -0.0061 0.0047 1116 PRO 71 CA -0.0123 -0.0090 0.0042 1117 PRO 71 C -0.0115 -0.0126 0.0061 1118 PRO 71 O -0.0100 -0.0131 0.0072 1119 PRO 71 CB -0.0154 -0.0086 0.0022 1120 PRO 71 CG -0.0148 -0.0050 0.0012 1121 PRO 71 CD -0.0112 -0.0041 0.0031 1122 PRO 71 HA -0.0126 -0.0086 0.0040 1123 PRO 71 HB3 -0.0173 -0.0088 0.0010 1124 PRO 71 HB2 -0.0158 -0.0106 0.0026 1125 PRO 71 HG3 -0.0155 -0.0032 0.0001 1126 PRO 71 HG2 -0.0160 -0.0051 0.0004 1127 PRO 71 HD2 -0.0107 -0.0049 0.0038 1128 PRO 71 HD3 -0.0104 -0.0013 0.0026 1129 GLY 72 N -0.0058 -0.0133 0.0048 1130 GLY 72 CA -0.0035 -0.0183 0.0031 1131 GLY 72 C 0.0004 -0.0191 0.0046 1132 GLY 72 O 0.0012 -0.0228 0.0028 1133 GLY 72 H -0.0053 -0.0121 0.0058 1134 GLY 72 HA3 -0.0063 -0.0202 0.0005 1135 GLY 72 HA2 -0.0018 -0.0198 0.0030 1136 ALA 73 N 0.0018 -0.0130 0.0050 1137 ALA 73 CA 0.0049 -0.0137 0.0056 1138 ALA 73 C 0.0095 -0.0166 0.0050 1139 ALA 73 O 0.0114 -0.0165 0.0058 1140 ALA 73 CB 0.0061 -0.0097 0.0090 1141 ALA 73 H 0.0013 -0.0105 0.0067 1142 ALA 73 HA 0.0032 -0.0148 0.0041 1143 ALA 73 HB1 0.0084 -0.0101 0.0096 1144 ALA 73 HB2 0.0029 -0.0077 0.0094 1145 ALA 73 HB3 0.0077 -0.0085 0.0105 1146 VAL 74 N 0.0144 -0.0217 0.0025 1147 VAL 74 CA 0.0188 -0.0242 0.0013 1148 VAL 74 C 0.0220 -0.0233 0.0038 1149 VAL 74 O 0.0264 -0.0246 0.0041 1150 VAL 74 CB 0.0177 -0.0272 -0.0030 1151 VAL 74 CG1 0.0219 -0.0297 -0.0044 1152 VAL 74 CG2 0.0152 -0.0282 -0.0055 1153 VAL 74 H 0.0120 -0.0213 0.0020 1154 VAL 74 HA 0.0208 -0.0247 0.0015 1155 VAL 74 HB 0.0152 -0.0265 -0.0033 1156 VAL 74 HG11 0.0210 -0.0318 -0.0075 1157 VAL 74 HG12 0.0235 -0.0288 -0.0026 1158 VAL 74 HG13 0.0245 -0.0304 -0.0041 1159 VAL 74 HG21 0.0144 -0.0304 -0.0086 1160 VAL 74 HG22 0.0176 -0.0287 -0.0051 1161 VAL 74 HG23 0.0120 -0.0263 -0.0045 1162 ASN 75 N 0.0136 -0.0196 0.0016 1163 ASN 75 CA 0.0167 -0.0185 0.0035 1164 ASN 75 C 0.0194 -0.0216 0.0036 1165 ASN 75 O 0.0222 -0.0218 0.0049 1166 ASN 75 CB 0.0180 -0.0162 0.0051 1167 ASN 75 CG 0.0204 -0.0141 0.0071 1168 ASN 75 OD1 0.0209 -0.0141 0.0073 1169 ASN 75 ND2 0.0220 -0.0121 0.0086 1170 ASN 75 H 0.0115 -0.0185 0.0010 1171 ASN 75 HA 0.0161 -0.0170 0.0038 1172 ASN 75 HB3 0.0192 -0.0177 0.0051 1173 ASN 75 HB2 0.0159 -0.0144 0.0048 1174 ASN 75 HD22 0.0236 -0.0107 0.0100 1175 ASN 75 HD21 0.0216 -0.0120 0.0085 1176 ALA 76 N 0.0149 -0.0256 0.0019 1177 ALA 76 CA 0.0158 -0.0266 0.0017 1178 ALA 76 C 0.0154 -0.0258 0.0050 1179 ALA 76 O 0.0166 -0.0272 0.0058 1180 ALA 76 CB 0.0148 -0.0259 -0.0017 1181 ALA 76 H 0.0136 -0.0242 0.0001 1182 ALA 76 HA 0.0176 -0.0288 0.0016 1183 ALA 76 HB1 0.0155 -0.0267 -0.0018 1184 ALA 76 HB2 0.0153 -0.0267 -0.0039 1185 ALA 76 HB3 0.0130 -0.0237 -0.0018 1186 CYS 77 N 0.0115 -0.0167 -0.0001 1187 CYS 77 CA 0.0121 -0.0159 0.0027 1188 CYS 77 C 0.0140 -0.0163 0.0059 1189 CYS 77 O 0.0147 -0.0159 0.0085 1190 CYS 77 CB 0.0094 -0.0131 0.0035 1191 CYS 77 SG 0.0074 -0.0126 0.0003 1192 CYS 77 H 0.0099 -0.0154 -0.0007 1193 CYS 77 HA 0.0129 -0.0170 0.0021 1194 CYS 77 HB3 0.0099 -0.0124 0.0060 1195 CYS 77 HB2 0.0083 -0.0120 0.0037 1196 HIS 78 N 0.0260 -0.0211 0.0107 1197 HIS 78 CA 0.0278 -0.0190 0.0122 1198 HIS 78 C 0.0312 -0.0116 0.0148 1199 HIS 78 O 0.0358 -0.0106 0.0188 1200 HIS 78 CB 0.0306 -0.0254 0.0150 1201 HIS 78 CG 0.0266 -0.0322 0.0120 1202 HIS 78 ND1 0.0263 -0.0381 0.0121 1203 HIS 78 CD2 0.0227 -0.0338 0.0086 1204 HIS 78 CE1 0.0224 -0.0432 0.0090 1205 HIS 78 NE2 0.0202 -0.0407 0.0068 1206 HIS 78 H 0.0218 -0.0223 0.0071 1207 HIS 78 HA 0.0240 -0.0180 0.0087 1208 HIS 78 HB3 0.0320 -0.0235 0.0163 1209 HIS 78 HB2 0.0343 -0.0269 0.0184 1210 HIS 78 HD1 0.0289 -0.0380 0.0144 1211 HIS 78 HD2 0.0221 -0.0299 0.0078 1212 HIS 78 HE1 0.0216 -0.0482 0.0086 1213 LEU 79 N 0.0243 -0.0012 0.0046 1214 LEU 79 CA 0.0214 -0.0003 0.0075 1215 LEU 79 C 0.0187 0.0005 0.0102 1216 LEU 79 O 0.0169 0.0002 0.0086 1217 LEU 79 CB 0.0179 -0.0010 0.0044 1218 LEU 79 CG 0.0177 -0.0012 0.0034 1219 LEU 79 CD1 0.0134 -0.0015 0.0013 1220 LEU 79 CD2 0.0192 -0.0004 0.0066 1221 LEU 79 H 0.0231 -0.0014 0.0035 1222 LEU 79 HA 0.0233 0.0001 0.0094 1223 LEU 79 HB3 0.0147 -0.0006 0.0053 1224 LEU 79 HB2 0.0178 -0.0017 0.0014 1225 LEU 79 HG 0.0201 -0.0020 0.0009 1226 LEU 79 HD11 0.0135 -0.0017 0.0007 1227 LEU 79 HD12 0.0129 -0.0023 -0.0017 1228 LEU 79 HD13 0.0107 -0.0008 0.0035 1229 LEU 79 HD21 0.0188 -0.0008 0.0053 1230 LEU 79 HD22 0.0173 0.0004 0.0095 1231 LEU 79 HD23 0.0227 -0.0004 0.0074 1232 SER 80 N 0.0249 0.0065 0.0067 1233 SER 80 CA 0.0204 0.0088 0.0091 1234 SER 80 C 0.0157 0.0082 0.0072 1235 SER 80 O 0.0162 0.0075 0.0063 1236 SER 80 CB 0.0216 0.0121 0.0138 1237 SER 80 OG 0.0171 0.0143 0.0160 1238 SER 80 H 0.0279 0.0071 0.0081 1239 SER 80 HA 0.0196 0.0088 0.0089 1240 SER 80 HB3 0.0230 0.0120 0.0139 1241 SER 80 HB2 0.0246 0.0127 0.0153 1242 SER 80 HG 0.0160 0.0145 0.0160 1243 CYS 81 N 0.0095 0.0089 0.0070 1244 CYS 81 CA 0.0062 0.0075 0.0061 1245 CYS 81 C 0.0058 0.0087 0.0075 1246 CYS 81 O 0.0042 0.0074 0.0064 1247 CYS 81 CB 0.0023 0.0073 0.0066 1248 CYS 81 SG 0.0022 0.0055 0.0046 1249 CYS 81 H 0.0091 0.0097 0.0080 1250 CYS 81 HA 0.0068 0.0054 0.0037 1251 CYS 81 HB3 -0.0002 0.0064 0.0060 1252 CYS 81 HB2 0.0016 0.0094 0.0090 1253 SER 82 N 0.0109 0.0148 0.0061 1254 SER 82 CA 0.0107 0.0160 0.0076 1255 SER 82 C 0.0141 0.0137 0.0031 1256 SER 82 O 0.0123 0.0127 0.0029 1257 SER 82 CB 0.0129 0.0212 0.0126 1258 SER 82 OG 0.0194 0.0232 0.0115 1259 SER 82 H 0.0128 0.0174 0.0081 1260 SER 82 HA 0.0057 0.0146 0.0086 1261 SER 82 HB3 0.0105 0.0227 0.0155 1262 SER 82 HB2 0.0116 0.0220 0.0141 1263 SER 82 HG 0.0205 0.0232 0.0110 1264 ALA 83 N 0.0097 0.0110 0.0004 1265 ALA 83 CA 0.0103 0.0103 -0.0025 1266 ALA 83 C 0.0076 0.0083 -0.0047 1267 ALA 83 O 0.0073 0.0076 -0.0066 1268 ALA 83 CB 0.0136 0.0110 -0.0046 1269 ALA 83 H 0.0113 0.0117 0.0006 1270 ALA 83 HA 0.0105 0.0107 -0.0015 1271 ALA 83 HB1 0.0141 0.0104 -0.0067 1272 ALA 83 HB2 0.0156 0.0123 -0.0030 1273 ALA 83 HB3 0.0135 0.0106 -0.0055 1274 LEU 84 N 0.0044 0.0067 -0.0044 1275 LEU 84 CA 0.0040 0.0043 -0.0043 1276 LEU 84 C 0.0037 0.0044 -0.0041 1277 LEU 84 O 0.0033 0.0025 -0.0040 1278 LEU 84 CB 0.0021 0.0031 -0.0034 1279 LEU 84 CG 0.0022 0.0029 -0.0035 1280 LEU 84 CD1 0.0001 0.0019 -0.0025 1281 LEU 84 CD2 0.0041 0.0016 -0.0044 1282 LEU 84 H 0.0031 0.0076 -0.0037 1283 LEU 84 HA 0.0054 0.0032 -0.0050 1284 LEU 84 HB3 0.0018 0.0014 -0.0033 1285 LEU 84 HB2 0.0006 0.0041 -0.0027 1286 LEU 84 HG 0.0024 0.0047 -0.0035 1287 LEU 84 HD11 0.0003 0.0018 -0.0026 1288 LEU 84 HD12 -0.0012 0.0031 -0.0018 1289 LEU 84 HD13 -0.0002 0.0001 -0.0024 1290 LEU 84 HD21 0.0041 0.0015 -0.0044 1291 LEU 84 HD22 0.0040 -0.0002 -0.0045 1292 LEU 84 HD23 0.0055 0.0025 -0.0051 1293 HIS 85 N 0.0055 0.0109 -0.0099 1294 HIS 85 CA 0.0053 0.0096 -0.0098 1295 HIS 85 C 0.0085 0.0101 -0.0131 1296 HIS 85 O 0.0087 0.0097 -0.0133 1297 HIS 85 CB 0.0028 0.0124 -0.0071 1298 HIS 85 CG -0.0006 0.0118 -0.0036 1299 HIS 85 ND1 -0.0029 0.0143 -0.0010 1300 HIS 85 CD2 -0.0019 0.0088 -0.0024 1301 HIS 85 CE1 -0.0057 0.0130 0.0017 1302 HIS 85 NE2 -0.0052 0.0096 0.0010 1303 HIS 85 H 0.0060 0.0142 -0.0102 1304 HIS 85 HA 0.0045 0.0060 -0.0092 1305 HIS 85 HB2 0.0034 0.0160 -0.0075 1306 HIS 85 HB3 0.0027 0.0114 -0.0070 1307 HIS 85 HD2 -0.0005 0.0064 -0.0040 1308 HIS 85 HE1 -0.0079 0.0146 0.0041 1309 HIS 85 HE2 -0.0066 0.0078 0.0023 1310 GLN 86 N 0.0076 0.0056 -0.0225 1311 GLN 86 CA 0.0092 0.0057 -0.0246 1312 GLN 86 C 0.0101 0.0031 -0.0254 1313 GLN 86 O 0.0097 0.0014 -0.0246 1314 GLN 86 CB 0.0099 0.0072 -0.0259 1315 GLN 86 CG 0.0093 0.0099 -0.0256 1316 GLN 86 CD 0.0101 0.0112 -0.0268 1317 GLN 86 OE1 0.0113 0.0119 -0.0287 1318 GLN 86 NE2 0.0095 0.0112 -0.0261 1319 GLN 86 H 0.0073 0.0061 -0.0222 1320 GLN 86 HA 0.0093 0.0066 -0.0249 1321 GLN 86 HB3 0.0111 0.0070 -0.0275 1322 GLN 86 HB2 0.0098 0.0064 -0.0255 1323 GLN 86 HG3 0.0081 0.0102 -0.0240 1324 GLN 86 HG2 0.0096 0.0108 -0.0260 1325 GLN 86 HE22 0.0100 0.0120 -0.0269 1326 GLN 86 HE21 0.0086 0.0104 -0.0247 1327 ASP 87 N 0.0064 0.0050 -0.0383 1328 ASP 87 CA 0.0094 0.0030 -0.0377 1329 ASP 87 C 0.0088 0.0029 -0.0361 1330 ASP 87 O 0.0104 0.0012 -0.0339 1331 ASP 87 CB 0.0118 0.0028 -0.0410 1332 ASP 87 CG 0.0136 0.0022 -0.0423 1333 ASP 87 OD1 0.0133 0.0018 -0.0404 1334 ASP 87 OD2 0.0155 0.0022 -0.0451 1335 ASP 87 H 0.0059 0.0061 -0.0408 1336 ASP 87 HA 0.0105 0.0018 -0.0358 1337 ASP 87 HB3 0.0136 0.0018 -0.0408 1338 ASP 87 HB2 0.0106 0.0042 -0.0431 1339 ASN 88 N 0.0109 -0.0005 -0.0355 1340 ASN 88 CA 0.0103 0.0006 -0.0358 1341 ASN 88 C 0.0074 0.0016 -0.0301 1342 ASN 88 O 0.0047 0.0047 -0.0280 1343 ASN 88 CB 0.0089 0.0056 -0.0402 1344 ASN 88 CG 0.0086 0.0067 -0.0413 1345 ASN 88 OD1 0.0065 0.0078 -0.0378 1346 ASN 88 ND2 0.0109 0.0062 -0.0464 1347 ASN 88 H 0.0097 0.0024 -0.0371 1348 ASN 88 HA 0.0127 -0.0025 -0.0370 1349 ASN 88 HB3 0.0063 0.0088 -0.0387 1350 ASN 88 HB2 0.0107 0.0052 -0.0441 1351 ASN 88 HD22 0.0109 0.0068 -0.0474 1352 ASN 88 HD21 0.0127 0.0051 -0.0491 1353 ILE 89 N 0.0050 0.0001 -0.0223 1354 ILE 89 CA 0.0038 -0.0005 -0.0211 1355 ILE 89 C 0.0024 -0.0011 -0.0201 1356 ILE 89 O 0.0015 -0.0017 -0.0190 1357 ILE 89 CB 0.0051 -0.0010 -0.0199 1358 ILE 89 CG1 0.0063 -0.0016 -0.0186 1359 ILE 89 CG2 0.0064 -0.0004 -0.0210 1360 ILE 89 CD1 0.0074 -0.0022 -0.0172 1361 ILE 89 H 0.0061 -0.0001 -0.0218 1362 ILE 89 HA 0.0030 -0.0002 -0.0220 1363 ILE 89 HB 0.0042 -0.0015 -0.0191 1364 ILE 89 HG13 0.0053 -0.0020 -0.0179 1365 ILE 89 HG12 0.0073 -0.0012 -0.0193 1366 ILE 89 HG21 0.0073 -0.0008 -0.0201 1367 ILE 89 HG22 0.0054 -0.0001 -0.0218 1368 ILE 89 HG23 0.0073 0.0000 -0.0218 1369 ILE 89 HD11 0.0082 -0.0025 -0.0163 1370 ILE 89 HD12 0.0064 -0.0026 -0.0165 1371 ILE 89 HD13 0.0084 -0.0018 -0.0179 1372 ALA 90 N 0.0047 -0.0023 -0.0226 1373 ALA 90 CA 0.0024 -0.0014 -0.0215 1374 ALA 90 C -0.0003 -0.0004 -0.0201 1375 ALA 90 O -0.0016 -0.0004 -0.0176 1376 ALA 90 CB 0.0016 -0.0003 -0.0241 1377 ALA 90 H 0.0056 -0.0021 -0.0249 1378 ALA 90 HA 0.0031 -0.0022 -0.0197 1379 ALA 90 HB1 -0.0002 0.0004 -0.0231 1380 ALA 90 HB2 0.0034 -0.0010 -0.0250 1381 ALA 90 HB3 0.0009 0.0006 -0.0260 1382 ASP 91 N 0.0054 -0.0000 -0.0172 1383 ASP 91 CA 0.0045 0.0021 -0.0145 1384 ASP 91 C 0.0039 0.0003 -0.0117 1385 ASP 91 O 0.0033 0.0016 -0.0101 1386 ASP 91 CB 0.0042 0.0039 -0.0135 1387 ASP 91 CG 0.0047 0.0065 -0.0159 1388 ASP 91 OD1 0.0051 0.0080 -0.0176 1389 ASP 91 OD2 0.0046 0.0072 -0.0158 1390 ASP 91 H 0.0056 -0.0006 -0.0178 1391 ASP 91 HA 0.0046 0.0040 -0.0153 1392 ASP 91 HB3 0.0035 0.0049 -0.0112 1393 ASP 91 HB2 0.0042 0.0021 -0.0132 1394 ALA 92 N 0.0023 0.0009 -0.0123 1395 ALA 92 CA 0.0017 -0.0006 -0.0108 1396 ALA 92 C 0.0019 -0.0024 -0.0095 1397 ALA 92 O 0.0005 -0.0033 -0.0081 1398 ALA 92 CB 0.0029 -0.0012 -0.0110 1399 ALA 92 H 0.0036 0.0013 -0.0133 1400 ALA 92 HA -0.0001 -0.0001 -0.0103 1401 ALA 92 HB1 0.0023 -0.0024 -0.0098 1402 ALA 92 HB2 0.0026 0.0000 -0.0118 1403 ALA 92 HB3 0.0046 -0.0018 -0.0115 1404 VAL 93 N 0.0000 -0.0046 -0.0108 1405 VAL 93 CA 0.0000 -0.0053 -0.0092 1406 VAL 93 C -0.0018 -0.0054 -0.0087 1407 VAL 93 O -0.0024 -0.0060 -0.0073 1408 VAL 93 CB 0.0014 -0.0054 -0.0092 1409 VAL 93 CG1 0.0012 -0.0061 -0.0077 1410 VAL 93 CG2 0.0033 -0.0055 -0.0092 1411 VAL 93 H 0.0007 -0.0042 -0.0117 1412 VAL 93 HA 0.0004 -0.0057 -0.0084 1413 VAL 93 HB 0.0013 -0.0049 -0.0102 1414 VAL 93 HG11 0.0022 -0.0061 -0.0077 1415 VAL 93 HG12 -0.0001 -0.0060 -0.0077 1416 VAL 93 HG13 0.0013 -0.0066 -0.0066 1417 VAL 93 HG21 0.0043 -0.0056 -0.0091 1418 VAL 93 HG22 0.0034 -0.0060 -0.0081 1419 VAL 93 HG23 0.0035 -0.0051 -0.0103 1420 ALA 94 N 0.0010 -0.0065 -0.0078 1421 ALA 94 CA -0.0005 -0.0055 -0.0073 1422 ALA 94 C -0.0021 -0.0055 -0.0056 1423 ALA 94 O -0.0032 -0.0056 -0.0044 1424 ALA 94 CB -0.0010 -0.0037 -0.0089 1425 ALA 94 H 0.0015 -0.0059 -0.0090 1426 ALA 94 HA -0.0002 -0.0061 -0.0070 1427 ALA 94 HB1 -0.0021 -0.0030 -0.0085 1428 ALA 94 HB2 0.0002 -0.0037 -0.0101 1429 ALA 94 HB3 -0.0013 -0.0031 -0.0093 1430 CYS 95 N 0.0021 -0.0065 -0.0032 1431 CYS 95 CA 0.0016 -0.0064 -0.0021 1432 CYS 95 C 0.0017 -0.0073 -0.0014 1433 CYS 95 O 0.0012 -0.0071 -0.0005 1434 CYS 95 CB 0.0015 -0.0062 -0.0020 1435 CYS 95 SG 0.0008 -0.0060 -0.0007 1436 CYS 95 H 0.0024 -0.0066 -0.0037 1437 CYS 95 HA 0.0012 -0.0057 -0.0020 1438 CYS 95 HB3 0.0018 -0.0068 -0.0022 1439 CYS 95 HB2 0.0014 -0.0055 -0.0026 1440 ALA 96 N -0.0025 -0.0061 -0.0006 1441 ALA 96 CA -0.0021 -0.0066 0.0004 1442 ALA 96 C -0.0026 -0.0069 0.0014 1443 ALA 96 O -0.0028 -0.0073 0.0023 1444 ALA 96 CB -0.0007 -0.0067 0.0004 1445 ALA 96 H -0.0019 -0.0059 -0.0012 1446 ALA 96 HA -0.0024 -0.0066 0.0006 1447 ALA 96 HB1 -0.0004 -0.0070 0.0012 1448 ALA 96 HB2 -0.0004 -0.0064 -0.0003 1449 ALA 96 HB3 -0.0004 -0.0067 0.0003 1450 LYS 97 N -0.0033 -0.0087 0.0014 1451 LYS 97 CA -0.0044 -0.0082 0.0026 1452 LYS 97 C -0.0060 -0.0075 0.0035 1453 LYS 97 O -0.0064 -0.0073 0.0052 1454 LYS 97 CB -0.0051 -0.0079 0.0014 1455 LYS 97 CG -0.0036 -0.0086 0.0009 1456 LYS 97 CD -0.0043 -0.0083 -0.0004 1457 LYS 97 CE -0.0029 -0.0089 -0.0007 1458 LYS 97 NZ -0.0035 -0.0086 -0.0021 1459 LYS 97 H -0.0031 -0.0088 -0.0001 1460 LYS 97 HA -0.0036 -0.0086 0.0038 1461 LYS 97 HB3 -0.0062 -0.0074 0.0021 1462 LYS 97 HB2 -0.0056 -0.0077 -0.0000 1463 LYS 97 HG3 -0.0024 -0.0091 0.0002 1464 LYS 97 HG2 -0.0031 -0.0088 0.0023 1465 LYS 97 HD3 -0.0055 -0.0078 0.0003 1466 LYS 97 HD2 -0.0047 -0.0081 -0.0018 1467 LYS 97 HE3 -0.0016 -0.0094 -0.0012 1468 LYS 97 HE2 -0.0026 -0.0090 0.0007 1469 LYS 97 HZ1 -0.0025 -0.0091 -0.0028 1470 LYS 97 HZ2 -0.0043 -0.0083 -0.0032 1471 LYS 97 HZ3 -0.0043 -0.0083 -0.0014 1472 ARG 98 N -0.0034 -0.0105 0.0047 1473 ARG 98 CA -0.0019 -0.0111 0.0040 1474 ARG 98 C -0.0004 -0.0100 0.0030 1475 ARG 98 O 0.0004 -0.0094 0.0024 1476 ARG 98 CB -0.0014 -0.0132 0.0043 1477 ARG 98 CG 0.0003 -0.0138 0.0036 1478 ARG 98 CD 0.0004 -0.0136 0.0034 1479 ARG 98 NE 0.0022 -0.0140 0.0027 1480 ARG 98 CZ 0.0034 -0.0129 0.0018 1481 ARG 98 NH1 0.0032 -0.0111 0.0015 1482 ARG 98 NH2 0.0048 -0.0136 0.0012 1483 ARG 98 H -0.0039 -0.0115 0.0051 1484 ARG 98 HA -0.0022 -0.0108 0.0041 1485 ARG 98 HB3 -0.0015 -0.0136 0.0044 1486 ARG 98 HB2 -0.0024 -0.0139 0.0049 1487 ARG 98 HG3 0.0013 -0.0131 0.0029 1488 ARG 98 HG2 0.0006 -0.0153 0.0037 1489 ARG 98 HD3 -0.0005 -0.0145 0.0041 1490 ARG 98 HD2 -0.0000 -0.0121 0.0033 1491 ARG 98 HE 0.0024 -0.0154 0.0029 1492 ARG 98 HH12 0.0041 -0.0103 0.0008 1493 ARG 98 HH11 0.0020 -0.0106 0.0019 1494 ARG 98 HH22 0.0058 -0.0128 0.0005 1495 ARG 98 HH21 0.0050 -0.0149 0.0014 1496 VAL 99 N -0.0022 -0.0082 0.0049 1497 VAL 99 CA -0.0016 -0.0080 0.0052 1498 VAL 99 C -0.0016 -0.0077 0.0063 1499 VAL 99 O -0.0017 -0.0076 0.0068 1500 VAL 99 CB -0.0005 -0.0080 0.0048 1501 VAL 99 CG1 0.0001 -0.0078 0.0053 1502 VAL 99 CG2 -0.0005 -0.0083 0.0037 1503 VAL 99 H -0.0019 -0.0083 0.0044 1504 VAL 99 HA -0.0020 -0.0081 0.0050 1505 VAL 99 HB -0.0002 -0.0079 0.0050 1506 VAL 99 HG11 0.0009 -0.0078 0.0049 1507 VAL 99 HG12 0.0002 -0.0076 0.0060 1508 VAL 99 HG13 -0.0001 -0.0079 0.0051 1509 VAL 99 HG21 0.0003 -0.0083 0.0034 1510 VAL 99 HG22 -0.0008 -0.0084 0.0035 1511 VAL 99 HG23 -0.0009 -0.0084 0.0034 1512 VAL 100 N -0.0027 -0.0072 0.0081 1513 VAL 100 CA -0.0027 -0.0064 0.0090 1514 VAL 100 C -0.0036 -0.0057 0.0093 1515 VAL 100 O -0.0036 -0.0051 0.0101 1516 VAL 100 CB -0.0024 -0.0066 0.0089 1517 VAL 100 CG1 -0.0013 -0.0072 0.0087 1518 VAL 100 CG2 -0.0033 -0.0067 0.0084 1519 VAL 100 H -0.0029 -0.0076 0.0076 1520 VAL 100 HA -0.0020 -0.0063 0.0094 1521 VAL 100 HB -0.0022 -0.0060 0.0096 1522 VAL 100 HG11 -0.0011 -0.0073 0.0087 1523 VAL 100 HG12 -0.0007 -0.0071 0.0091 1524 VAL 100 HG13 -0.0014 -0.0078 0.0080 1525 VAL 100 HG21 -0.0030 -0.0068 0.0084 1526 VAL 100 HG22 -0.0035 -0.0072 0.0077 1527 VAL 100 HG23 -0.0040 -0.0062 0.0087 1528 ARG 101 N -0.0036 -0.0059 0.0105 1529 ARG 101 CA -0.0054 -0.0046 0.0112 1530 ARG 101 C -0.0046 -0.0038 0.0124 1531 ARG 101 O -0.0057 -0.0024 0.0135 1532 ARG 101 CB -0.0076 -0.0052 0.0099 1533 ARG 101 CG -0.0089 -0.0054 0.0092 1534 ARG 101 CD -0.0113 -0.0056 0.0083 1535 ARG 101 NE -0.0115 -0.0071 0.0067 1536 ARG 101 CZ -0.0116 -0.0085 0.0051 1537 ARG 101 NH1 -0.0112 -0.0089 0.0048 1538 ARG 101 NH2 -0.0120 -0.0097 0.0038 1539 ARG 101 H -0.0036 -0.0070 0.0092 1540 ARG 101 HA -0.0059 -0.0037 0.0121 1541 ARG 101 HB3 -0.0087 -0.0044 0.0104 1542 ARG 101 HB2 -0.0072 -0.0064 0.0088 1543 ARG 101 HG3 -0.0080 -0.0065 0.0084 1544 ARG 101 HG2 -0.0089 -0.0044 0.0103 1545 ARG 101 HD3 -0.0122 -0.0057 0.0080 1546 ARG 101 HD2 -0.0123 -0.0045 0.0092 1547 ARG 101 HE -0.0115 -0.0069 0.0070 1548 ARG 101 HH12 -0.0113 -0.0100 0.0036 1549 ARG 101 HH11 -0.0108 -0.0081 0.0058 1550 ARG 101 HH22 -0.0120 -0.0108 0.0026 1551 ARG 101 HH21 -0.0121 -0.0094 0.0040 1552 ASP 102 N -0.0025 -0.0058 0.0128 1553 ASP 102 CA -0.0005 -0.0047 0.0137 1554 ASP 102 C 0.0008 -0.0024 0.0155 1555 ASP 102 O 0.0009 -0.0022 0.0157 1556 ASP 102 CB 0.0020 -0.0067 0.0126 1557 ASP 102 CG 0.0010 -0.0084 0.0113 1558 ASP 102 OD1 -0.0018 -0.0083 0.0110 1559 ASP 102 OD2 0.0030 -0.0098 0.0105 1560 ASP 102 H -0.0016 -0.0073 0.0118 1561 ASP 102 HA -0.0019 -0.0042 0.0140 1562 ASP 102 HB3 0.0040 -0.0057 0.0135 1563 ASP 102 HB2 0.0027 -0.0078 0.0119 1564 PRO 103 N 0.0002 -0.0008 0.0206 1565 PRO 103 CA 0.0009 0.0012 0.0214 1566 PRO 103 C 0.0021 -0.0021 0.0221 1567 PRO 103 O 0.0011 -0.0013 0.0212 1568 PRO 103 CB 0.0035 0.0045 0.0243 1569 PRO 103 CG 0.0027 0.0059 0.0238 1570 PRO 103 CD 0.0016 0.0017 0.0222 1571 PRO 103 HA -0.0014 0.0031 0.0196 1572 PRO 103 HB3 0.0030 0.0075 0.0243 1573 PRO 103 HB2 0.0060 0.0028 0.0263 1574 PRO 103 HG3 0.0007 0.0085 0.0223 1575 PRO 103 HG2 0.0050 0.0067 0.0260 1576 PRO 103 HD2 0.0038 -0.0003 0.0239 1577 PRO 103 HD3 -0.0004 0.0026 0.0205 1578 GLN 104 N 0.0057 0.0014 0.0162 1579 GLN 104 CA 0.0057 0.0005 0.0164 1580 GLN 104 C 0.0037 -0.0003 0.0158 1581 GLN 104 O 0.0032 -0.0006 0.0157 1582 GLN 104 CB 0.0068 -0.0013 0.0175 1583 GLN 104 CG 0.0088 -0.0011 0.0183 1584 GLN 104 CD 0.0096 -0.0031 0.0193 1585 GLN 104 OE1 0.0105 -0.0034 0.0197 1586 GLN 104 NE2 0.0092 -0.0046 0.0195 1587 GLN 104 H 0.0065 0.0007 0.0168 1588 GLN 104 HA 0.0063 0.0017 0.0164 1589 GLN 104 HB3 0.0060 -0.0026 0.0175 1590 GLN 104 HB2 0.0069 -0.0019 0.0177 1591 GLN 104 HG3 0.0097 -0.0002 0.0185 1592 GLN 104 HG2 0.0088 -0.0003 0.0181 1593 GLN 104 HE22 0.0096 -0.0059 0.0201 1594 GLN 104 HE21 0.0083 -0.0043 0.0190 1595 GLY 105 N 0.0009 -0.0034 0.0140 1596 GLY 105 CA 0.0002 -0.0039 0.0137 1597 GLY 105 C 0.0006 -0.0048 0.0137 1598 GLY 105 O 0.0010 -0.0054 0.0138 1599 GLY 105 H 0.0008 -0.0033 0.0140 1600 GLY 105 HA3 0.0000 -0.0034 0.0136 1601 GLY 105 HA2 -0.0003 -0.0040 0.0134 1602 ILE 106 N -0.0037 -0.0030 0.0098 1603 ILE 106 CA -0.0039 -0.0037 0.0101 1604 ILE 106 C -0.0039 -0.0040 0.0109 1605 ILE 106 O -0.0041 -0.0045 0.0113 1606 ILE 106 CB -0.0040 -0.0044 0.0094 1607 ILE 106 CG1 -0.0041 -0.0050 0.0095 1608 ILE 106 CG2 -0.0041 -0.0047 0.0093 1609 ILE 106 CD1 -0.0042 -0.0054 0.0087 1610 ILE 106 H -0.0037 -0.0031 0.0094 1611 ILE 106 HA -0.0038 -0.0035 0.0101 1612 ILE 106 HB -0.0039 -0.0041 0.0088 1613 ILE 106 HG13 -0.0041 -0.0048 0.0098 1614 ILE 106 HG12 -0.0043 -0.0055 0.0099 1615 ILE 106 HG21 -0.0042 -0.0052 0.0088 1616 ILE 106 HG22 -0.0040 -0.0042 0.0091 1617 ILE 106 HG23 -0.0041 -0.0050 0.0099 1618 ILE 106 HD11 -0.0043 -0.0059 0.0088 1619 ILE 106 HD12 -0.0041 -0.0050 0.0083 1620 ILE 106 HD13 -0.0043 -0.0057 0.0084 1621 ARG 107 N -0.0011 -0.0024 0.0145 1622 ARG 107 CA -0.0016 -0.0026 0.0153 1623 ARG 107 C -0.0008 -0.0024 0.0175 1624 ARG 107 O -0.0014 -0.0027 0.0185 1625 ARG 107 CB -0.0009 -0.0022 0.0139 1626 ARG 107 CG -0.0020 -0.0026 0.0118 1627 ARG 107 CD -0.0012 -0.0021 0.0103 1628 ARG 107 NE -0.0020 -0.0024 0.0082 1629 ARG 107 CZ -0.0019 -0.0023 0.0074 1630 ARG 107 NH1 -0.0004 -0.0015 0.0078 1631 ARG 107 NH2 -0.0033 -0.0029 0.0063 1632 ARG 107 H -0.0003 -0.0018 0.0133 1633 ARG 107 HA -0.0031 -0.0034 0.0154 1634 ARG 107 HB3 -0.0010 -0.0023 0.0147 1635 ARG 107 HB2 0.0006 -0.0015 0.0136 1636 ARG 107 HG3 -0.0019 -0.0025 0.0111 1637 ARG 107 HG2 -0.0035 -0.0033 0.0121 1638 ARG 107 HD3 -0.0017 -0.0024 0.0108 1639 ARG 107 HD2 0.0003 -0.0014 0.0104 1640 ARG 107 HE -0.0025 -0.0026 0.0073 1641 ARG 107 HH12 -0.0003 -0.0015 0.0073 1642 ARG 107 HH11 0.0007 -0.0011 0.0087 1643 ARG 107 HH22 -0.0032 -0.0028 0.0057 1644 ARG 107 HH21 -0.0044 -0.0034 0.0059 1645 ALA 108 N 0.0019 -0.0041 0.0141 1646 ALA 108 CA 0.0025 -0.0044 0.0151 1647 ALA 108 C 0.0020 -0.0055 0.0158 1648 ALA 108 O 0.0025 -0.0058 0.0168 1649 ALA 108 CB 0.0026 -0.0042 0.0151 1650 ALA 108 H 0.0016 -0.0038 0.0135 1651 ALA 108 HA 0.0032 -0.0040 0.0155 1652 ALA 108 HB1 0.0030 -0.0045 0.0159 1653 ALA 108 HB2 0.0029 -0.0035 0.0146 1654 ALA 108 HB3 0.0019 -0.0047 0.0147 1655 TRP 109 N -0.0064 -0.0048 0.0146 1656 TRP 109 CA -0.0052 -0.0056 0.0140 1657 TRP 109 C -0.0045 -0.0073 0.0158 1658 TRP 109 O -0.0035 -0.0085 0.0164 1659 TRP 109 CB -0.0037 -0.0060 0.0120 1660 TRP 109 CG -0.0040 -0.0046 0.0099 1661 TRP 109 CD1 -0.0040 -0.0038 0.0084 1662 TRP 109 CD2 -0.0044 -0.0037 0.0088 1663 TRP 109 NE1 -0.0043 -0.0026 0.0066 1664 TRP 109 CE2 -0.0045 -0.0025 0.0068 1665 TRP 109 CE3 -0.0045 -0.0038 0.0093 1666 TRP 109 CZ2 -0.0048 -0.0014 0.0053 1667 TRP 109 CZ3 -0.0048 -0.0028 0.0079 1668 TRP 109 CH2 -0.0050 -0.0016 0.0059 1669 TRP 109 H -0.0059 -0.0051 0.0143 1670 TRP 109 HA -0.0059 -0.0048 0.0137 1671 TRP 109 HB3 -0.0027 -0.0069 0.0118 1672 TRP 109 HB2 -0.0030 -0.0068 0.0122 1673 TRP 109 HD1 -0.0038 -0.0043 0.0089 1674 TRP 109 HE1 -0.0043 -0.0020 0.0054 1675 TRP 109 HE3 -0.0044 -0.0048 0.0108 1676 TRP 109 HZ2 -0.0050 -0.0005 0.0038 1677 TRP 109 HZ3 -0.0050 -0.0029 0.0083 1678 TRP 109 HH2 -0.0052 -0.0008 0.0048 1679 VAL 110 N -0.0054 -0.0038 0.0238 1680 VAL 110 CA -0.0064 -0.0049 0.0239 1681 VAL 110 C -0.0086 -0.0068 0.0229 1682 VAL 110 O -0.0095 -0.0074 0.0216 1683 VAL 110 CB -0.0060 -0.0052 0.0265 1684 VAL 110 CG1 -0.0039 -0.0034 0.0277 1685 VAL 110 CG2 -0.0073 -0.0070 0.0284 1686 VAL 110 H -0.0046 -0.0035 0.0255 1687 VAL 110 HA -0.0059 -0.0040 0.0224 1688 VAL 110 HB -0.0064 -0.0055 0.0260 1689 VAL 110 HG11 -0.0037 -0.0037 0.0296 1690 VAL 110 HG12 -0.0031 -0.0022 0.0263 1691 VAL 110 HG13 -0.0033 -0.0029 0.0281 1692 VAL 110 HG21 -0.0070 -0.0071 0.0303 1693 VAL 110 HG22 -0.0072 -0.0069 0.0289 1694 VAL 110 HG23 -0.0089 -0.0083 0.0275 1695 ALA 111 N -0.0082 -0.0039 0.0200 1696 ALA 111 CA -0.0086 -0.0051 0.0194 1697 ALA 111 C -0.0089 -0.0050 0.0183 1698 ALA 111 O -0.0091 -0.0058 0.0181 1699 ALA 111 CB -0.0088 -0.0057 0.0189 1700 ALA 111 H -0.0082 -0.0036 0.0200 1701 ALA 111 HA -0.0085 -0.0057 0.0201 1702 ALA 111 HB1 -0.0091 -0.0066 0.0185 1703 ALA 111 HB2 -0.0086 -0.0059 0.0197 1704 ALA 111 HB3 -0.0089 -0.0051 0.0182 1705 TRP 112 N -0.0086 -0.0024 0.0158 1706 TRP 112 CA -0.0085 -0.0027 0.0138 1707 TRP 112 C -0.0089 -0.0033 0.0133 1708 TRP 112 O -0.0096 -0.0043 0.0121 1709 TRP 112 CB -0.0071 -0.0014 0.0128 1710 TRP 112 CG -0.0070 -0.0018 0.0107 1711 TRP 112 CD1 -0.0072 -0.0023 0.0095 1712 TRP 112 CD2 -0.0066 -0.0016 0.0096 1713 TRP 112 NE1 -0.0070 -0.0025 0.0077 1714 TRP 112 CE2 -0.0066 -0.0021 0.0077 1715 TRP 112 CE3 -0.0062 -0.0011 0.0100 1716 TRP 112 CZ2 -0.0063 -0.0021 0.0063 1717 TRP 112 CZ3 -0.0059 -0.0011 0.0086 1718 TRP 112 CH2 -0.0060 -0.0016 0.0067 1719 TRP 112 H -0.0078 -0.0014 0.0164 1720 TRP 112 HA -0.0091 -0.0035 0.0132 1721 TRP 112 HB3 -0.0064 -0.0006 0.0133 1722 TRP 112 HB2 -0.0068 -0.0010 0.0132 1723 TRP 112 HD1 -0.0075 -0.0025 0.0100 1724 TRP 112 HE1 -0.0071 -0.0029 0.0066 1725 TRP 112 HE3 -0.0062 -0.0008 0.0114 1726 TRP 112 HZ2 -0.0063 -0.0024 0.0048 1727 TRP 112 HZ3 -0.0056 -0.0008 0.0089 1728 TRP 112 HH2 -0.0057 -0.0016 0.0056 1729 ARG 113 N -0.0115 -0.0036 0.0178 1730 ARG 113 CA -0.0116 -0.0031 0.0156 1731 ARG 113 C -0.0144 -0.0036 0.0157 1732 ARG 113 O -0.0157 -0.0033 0.0135 1733 ARG 113 CB -0.0091 -0.0027 0.0159 1734 ARG 113 CG -0.0062 -0.0023 0.0160 1735 ARG 113 CD -0.0039 -0.0020 0.0164 1736 ARG 113 NE -0.0013 -0.0019 0.0178 1737 ARG 113 CZ 0.0007 -0.0018 0.0190 1738 ARG 113 NH1 0.0006 -0.0018 0.0189 1739 ARG 113 NH2 0.0030 -0.0017 0.0202 1740 ARG 113 H -0.0100 -0.0037 0.0194 1741 ARG 113 HA -0.0115 -0.0026 0.0135 1742 ARG 113 HB3 -0.0092 -0.0023 0.0142 1743 ARG 113 HB2 -0.0094 -0.0032 0.0178 1744 ARG 113 HG3 -0.0061 -0.0027 0.0178 1745 ARG 113 HG2 -0.0059 -0.0017 0.0141 1746 ARG 113 HD3 -0.0033 -0.0014 0.0144 1747 ARG 113 HD2 -0.0047 -0.0024 0.0176 1748 ARG 113 HE -0.0012 -0.0019 0.0179 1749 ARG 113 HH12 0.0022 -0.0018 0.0198 1750 ARG 113 HH11 -0.0011 -0.0019 0.0180 1751 ARG 113 HH22 0.0045 -0.0017 0.0211 1752 ARG 113 HH21 0.0031 -0.0017 0.0203 1753 ASN 114 N -0.0094 -0.0004 0.0172 1754 ASN 114 CA -0.0113 -0.0016 0.0177 1755 ASN 114 C -0.0147 -0.0023 0.0165 1756 ASN 114 O -0.0163 -0.0024 0.0156 1757 ASN 114 CB -0.0110 -0.0034 0.0208 1758 ASN 114 CG -0.0078 -0.0030 0.0223 1759 ASN 114 OD1 -0.0057 -0.0014 0.0213 1760 ASN 114 ND2 -0.0076 -0.0047 0.0251 1761 ASN 114 H -0.0084 -0.0010 0.0187 1762 ASN 114 HA -0.0107 -0.0007 0.0167 1763 ASN 114 HB3 -0.0124 -0.0042 0.0210 1764 ASN 114 HB2 -0.0118 -0.0044 0.0217 1765 ASN 114 HD22 -0.0056 -0.0046 0.0263 1766 ASN 114 HD21 -0.0094 -0.0060 0.0259 1767 ARG 115 N -0.0084 0.0016 0.0173 1768 ARG 115 CA -0.0112 -0.0016 0.0147 1769 ARG 115 C -0.0118 -0.0007 0.0094 1770 ARG 115 O -0.0143 -0.0035 0.0069 1771 ARG 115 CB -0.0116 -0.0029 0.0164 1772 ARG 115 CG -0.0113 -0.0044 0.0216 1773 ARG 115 CD -0.0141 -0.0089 0.0225 1774 ARG 115 NE -0.0138 -0.0101 0.0277 1775 ARG 115 CZ -0.0159 -0.0139 0.0295 1776 ARG 115 NH1 -0.0184 -0.0165 0.0264 1777 ARG 115 NH2 -0.0155 -0.0150 0.0341 1778 ARG 115 H -0.0068 0.0039 0.0176 1779 ARG 115 HA -0.0127 -0.0042 0.0156 1780 ARG 115 HB3 -0.0137 -0.0052 0.0144 1781 ARG 115 HB2 -0.0101 -0.0004 0.0155 1782 ARG 115 HG3 -0.0107 -0.0039 0.0228 1783 ARG 115 HG2 -0.0097 -0.0027 0.0235 1784 ARG 115 HD3 -0.0146 -0.0093 0.0217 1785 ARG 115 HD2 -0.0158 -0.0106 0.0205 1786 ARG 115 HE -0.0119 -0.0081 0.0298 1787 ARG 115 HH12 -0.0201 -0.0195 0.0276 1788 ARG 115 HH11 -0.0185 -0.0155 0.0229 1789 ARG 115 HH22 -0.0171 -0.0179 0.0354 1790 ARG 115 HH21 -0.0136 -0.0129 0.0362 1791 CYS 116 N -0.0105 0.0040 0.0092 1792 CYS 116 CA -0.0110 0.0045 0.0083 1793 CYS 116 C -0.0105 0.0054 0.0071 1794 CYS 116 O -0.0113 0.0058 0.0062 1795 CYS 116 CB -0.0106 0.0043 0.0088 1796 CYS 116 SG -0.0110 0.0032 0.0102 1797 CYS 116 H -0.0095 0.0042 0.0095 1798 CYS 116 HA -0.0121 0.0042 0.0081 1799 CYS 116 HB3 -0.0110 0.0046 0.0081 1800 CYS 116 HB2 -0.0095 0.0047 0.0088 1801 GLN 117 N -0.0152 0.0041 0.0097 1802 GLN 117 CA -0.0139 0.0023 0.0067 1803 GLN 117 C -0.0164 0.0014 0.0042 1804 GLN 117 O -0.0194 0.0020 0.0042 1805 GLN 117 CB -0.0132 0.0019 0.0062 1806 GLN 117 CG -0.0119 0.0001 0.0032 1807 GLN 117 CD -0.0105 -0.0003 0.0030 1808 GLN 117 OE1 -0.0082 -0.0017 0.0011 1809 GLN 117 NE2 -0.0116 0.0007 0.0045 1810 GLN 117 H -0.0155 0.0049 0.0110 1811 GLN 117 HA -0.0116 0.0019 0.0067 1812 GLN 117 HB3 -0.0155 0.0024 0.0064 1813 GLN 117 HB2 -0.0115 0.0026 0.0080 1814 GLN 117 HG3 -0.0098 -0.0005 0.0028 1815 GLN 117 HG2 -0.0138 -0.0005 0.0014 1816 GLN 117 HE22 -0.0107 0.0005 0.0044 1817 GLN 117 HE21 -0.0134 0.0018 0.0059 1818 ASN 118 N -0.0146 -0.0128 -0.0029 1819 ASN 118 CA -0.0182 -0.0160 -0.0068 1820 ASN 118 C -0.0168 0.0045 -0.0028 1821 ASN 118 O -0.0242 0.0071 -0.0097 1822 ASN 118 CB -0.0345 -0.0248 -0.0238 1823 ASN 118 CG -0.0361 -0.0465 -0.0282 1824 ASN 118 OD1 -0.0254 -0.0613 -0.0196 1825 ASN 118 ND2 -0.0495 -0.0484 -0.0415 1826 ASN 118 H -0.0056 -0.0222 0.0046 1827 ASN 118 HA -0.0092 -0.0285 0.0003 1828 ASN 118 HB3 -0.0365 -0.0267 -0.0260 1829 ASN 118 HB2 -0.0438 -0.0126 -0.0313 1830 ASN 118 HD22 -0.0512 -0.0625 -0.0449 1831 ASN 118 HD21 -0.0580 -0.0356 -0.0481 1832 ARG 119 N -0.0150 0.0189 0.0044 1833 ARG 119 CA -0.0171 0.0209 0.0056 1834 ARG 119 C -0.0172 0.0210 0.0081 1835 ARG 119 O -0.0156 0.0194 0.0092 1836 ARG 119 CB -0.0176 0.0215 0.0072 1837 ARG 119 CG -0.0180 0.0219 0.0053 1838 ARG 119 CD -0.0189 0.0227 0.0070 1839 ARG 119 NE -0.0185 0.0224 0.0054 1840 ARG 119 CZ -0.0200 0.0239 0.0048 1841 ARG 119 NH1 -0.0219 0.0258 0.0052 1842 ARG 119 NH2 -0.0195 0.0234 0.0038 1843 ARG 119 H -0.0138 0.0177 0.0058 1844 ARG 119 HA -0.0182 0.0221 0.0039 1845 ARG 119 HB3 -0.0189 0.0228 0.0086 1846 ARG 119 HB2 -0.0164 0.0202 0.0088 1847 ARG 119 HG3 -0.0165 0.0204 0.0043 1848 ARG 119 HG2 -0.0190 0.0230 0.0036 1849 ARG 119 HD3 -0.0205 0.0244 0.0073 1850 ARG 119 HD2 -0.0181 0.0219 0.0091 1851 ARG 119 HE -0.0171 0.0210 0.0046 1852 ARG 119 HH12 -0.0230 0.0270 0.0048 1853 ARG 119 HH11 -0.0223 0.0262 0.0059 1854 ARG 119 HH22 -0.0205 0.0245 0.0033 1855 ARG 119 HH21 -0.0180 0.0219 0.0034 1856 ASP 120 N 0.0058 0.0485 0.0311 1857 ASP 120 CA 0.0003 0.0485 0.0327 1858 ASP 120 C -0.0028 0.0408 0.0190 1859 ASP 120 O 0.0075 0.0381 0.0106 1860 ASP 120 CB 0.0139 0.0530 0.0370 1861 ASP 120 CG 0.0092 0.0545 0.0414 1862 ASP 120 OD1 -0.0031 0.0507 0.0380 1863 ASP 120 OD2 0.0179 0.0586 0.0466 1864 ASP 120 H 0.0166 0.0503 0.0311 1865 ASP 120 HA -0.0091 0.0507 0.0398 1866 ASP 120 HB3 0.0221 0.0500 0.0288 1867 ASP 120 HB2 0.0185 0.0580 0.0451 1868 VAL 121 N -0.0082 0.0230 0.0007 1869 VAL 121 CA -0.0090 0.0201 0.0002 1870 VAL 121 C -0.0117 0.0197 0.0011 1871 VAL 121 O -0.0128 0.0174 0.0009 1872 VAL 121 CB -0.0088 0.0182 -0.0003 1873 VAL 121 CG1 -0.0059 0.0181 -0.0013 1874 VAL 121 CG2 -0.0106 0.0190 0.0005 1875 VAL 121 H -0.0092 0.0239 0.0012 1876 VAL 121 HA -0.0076 0.0195 -0.0004 1877 VAL 121 HB -0.0095 0.0162 -0.0006 1878 VAL 121 HG11 -0.0058 0.0167 -0.0017 1879 VAL 121 HG12 -0.0047 0.0173 -0.0019 1880 VAL 121 HG13 -0.0051 0.0202 -0.0011 1881 VAL 121 HG21 -0.0104 0.0176 0.0001 1882 VAL 121 HG22 -0.0101 0.0211 0.0008 1883 VAL 121 HG23 -0.0127 0.0188 0.0011 1884 ARG 122 N -0.0097 0.0385 -0.0070 1885 ARG 122 CA -0.0252 0.0351 -0.0129 1886 ARG 122 C -0.0281 0.0190 -0.0138 1887 ARG 122 O -0.0396 0.0125 -0.0182 1888 ARG 122 CB -0.0322 0.0472 -0.0159 1889 ARG 122 CG -0.0355 0.0418 -0.0171 1890 ARG 122 CD -0.0487 0.0497 -0.0224 1891 ARG 122 NE -0.0448 0.0647 -0.0211 1892 ARG 122 CZ -0.0346 0.0735 -0.0173 1893 ARG 122 NH1 -0.0357 0.0775 -0.0177 1894 ARG 122 NH2 -0.0237 0.0782 -0.0131 1895 ARG 122 H -0.0054 0.0473 -0.0054 1896 ARG 122 HA -0.0298 0.0362 -0.0148 1897 ARG 122 HB3 -0.0254 0.0574 -0.0134 1898 ARG 122 HB2 -0.0421 0.0510 -0.0198 1899 ARG 122 HG3 -0.0371 0.0294 -0.0175 1900 ARG 122 HG2 -0.0263 0.0442 -0.0135 1901 ARG 122 HD3 -0.0566 0.0512 -0.0255 1902 ARG 122 HD2 -0.0534 0.0425 -0.0241 1903 ARG 122 HE -0.0501 0.0683 -0.0232 1904 ARG 122 HH12 -0.0280 0.0841 -0.0149 1905 ARG 122 HH11 -0.0441 0.0738 -0.0210 1906 ARG 122 HH22 -0.0160 0.0848 -0.0102 1907 ARG 122 HH21 -0.0231 0.0751 -0.0128 1908 GLN 123 N -0.0174 0.0230 -0.0105 1909 GLN 123 CA -0.0187 0.0158 -0.0107 1910 GLN 123 C -0.0203 0.0116 -0.0113 1911 GLN 123 O -0.0238 0.0066 -0.0131 1912 GLN 123 CB -0.0135 0.0125 -0.0073 1913 GLN 123 CG -0.0081 0.0112 -0.0039 1914 GLN 123 CD -0.0027 0.0092 -0.0004 1915 GLN 123 OE1 0.0020 0.0127 0.0022 1916 GLN 123 NE2 -0.0031 0.0031 -0.0001 1917 GLN 123 H -0.0135 0.0251 -0.0083 1918 GLN 123 HA -0.0225 0.0154 -0.0130 1919 GLN 123 HB3 -0.0122 0.0157 -0.0067 1920 GLN 123 HB2 -0.0151 0.0076 -0.0078 1921 GLN 123 HG3 -0.0093 0.0072 -0.0042 1922 GLN 123 HG2 -0.0071 0.0158 -0.0036 1923 GLN 123 HE22 0.0003 0.0015 0.0021 1924 GLN 123 HE21 -0.0069 0.0002 -0.0022 1925 TYR 124 N -0.0116 0.0079 -0.0073 1926 TYR 124 CA -0.0117 0.0071 -0.0071 1927 TYR 124 C -0.0135 0.0073 -0.0091 1928 TYR 124 O -0.0140 0.0058 -0.0093 1929 TYR 124 CB -0.0098 0.0084 -0.0056 1930 TYR 124 CG -0.0080 0.0078 -0.0035 1931 TYR 124 CD1 -0.0074 0.0053 -0.0023 1932 TYR 124 CD2 -0.0068 0.0098 -0.0028 1933 TYR 124 CE1 -0.0057 0.0049 -0.0004 1934 TYR 124 CE2 -0.0051 0.0093 -0.0009 1935 TYR 124 CZ -0.0046 0.0068 0.0003 1936 TYR 124 OH -0.0029 0.0063 0.0022 1937 TYR 124 H -0.0106 0.0095 -0.0067 1938 TYR 124 HA -0.0116 0.0049 -0.0065 1939 TYR 124 HB3 -0.0100 0.0076 -0.0055 1940 TYR 124 HB2 -0.0098 0.0106 -0.0061 1941 TYR 124 HD1 -0.0083 0.0037 -0.0028 1942 TYR 124 HD2 -0.0072 0.0118 -0.0037 1943 TYR 124 HE1 -0.0053 0.0030 0.0006 1944 TYR 124 HE2 -0.0042 0.0109 -0.0003 1945 TYR 124 HH -0.0024 0.0078 0.0024 1946 VAL 125 N -0.0162 0.0121 -0.0095 1947 VAL 125 CA -0.0164 0.0114 -0.0075 1948 VAL 125 C -0.0193 0.0129 -0.0072 1949 VAL 125 O -0.0198 0.0126 -0.0056 1950 VAL 125 CB -0.0138 0.0104 -0.0085 1951 VAL 125 CG1 -0.0108 0.0087 -0.0082 1952 VAL 125 CG2 -0.0139 0.0117 -0.0120 1953 VAL 125 H -0.0163 0.0129 -0.0119 1954 VAL 125 HA -0.0162 0.0105 -0.0051 1955 VAL 125 HB -0.0142 0.0101 -0.0070 1956 VAL 125 HG11 -0.0090 0.0080 -0.0089 1957 VAL 125 HG12 -0.0109 0.0078 -0.0056 1958 VAL 125 HG13 -0.0105 0.0090 -0.0096 1959 VAL 125 HG21 -0.0120 0.0110 -0.0127 1960 VAL 125 HG22 -0.0136 0.0121 -0.0136 1961 VAL 125 HG23 -0.0160 0.0129 -0.0122 1962 GLN 126 N -0.0254 0.0192 -0.0222 1963 GLN 126 CA -0.0338 0.0180 -0.0279 1964 GLN 126 C -0.0391 0.0158 -0.0213 1965 GLN 126 O -0.0416 0.0140 -0.0120 1966 GLN 126 CB -0.0417 0.0168 -0.0324 1967 GLN 126 CG -0.0481 0.0141 -0.0241 1968 GLN 126 CD -0.0592 0.0120 -0.0282 1969 GLN 126 OE1 -0.0623 0.0115 -0.0298 1970 GLN 126 NE2 -0.0651 0.0109 -0.0299 1971 GLN 126 H -0.0256 0.0190 -0.0211 1972 GLN 126 HA -0.0305 0.0197 -0.0345 1973 GLN 126 HB3 -0.0375 0.0184 -0.0369 1974 GLN 126 HB2 -0.0469 0.0163 -0.0382 1975 GLN 126 HG3 -0.0483 0.0131 -0.0170 1976 GLN 126 HG2 -0.0445 0.0147 -0.0218 1977 GLN 126 HE22 -0.0725 0.0095 -0.0326 1978 GLN 126 HE21 -0.0621 0.0114 -0.0285 1979 GLY 127 N -0.0310 0.0212 -0.0182 1980 GLY 127 CA -0.0313 0.0246 -0.0116 1981 GLY 127 C -0.0246 0.0268 -0.0045 1982 GLY 127 O -0.0245 0.0299 0.0018 1983 GLY 127 H -0.0279 0.0182 -0.0230 1984 GLY 127 HA3 -0.0379 0.0270 -0.0096 1985 GLY 127 HA2 -0.0306 0.0233 -0.0139 1986 CYS 128 N -0.0072 0.0187 -0.0030 1987 CYS 128 CA -0.0041 0.0179 0.0010 1988 CYS 128 C 0.0004 0.0152 0.0040 1989 CYS 128 O 0.0030 0.0150 0.0079 1990 CYS 128 CB -0.0034 0.0158 -0.0015 1991 CYS 128 SG -0.0084 0.0190 -0.0045 1992 CYS 128 H -0.0072 0.0165 -0.0068 1993 CYS 128 HA -0.0057 0.0211 0.0040 1994 CYS 128 HB3 -0.0009 0.0151 0.0016 1995 CYS 128 HB2 -0.0018 0.0126 -0.0046 1996 GLY 129 N 0.0034 0.0161 0.0048 1997 GLY 129 CA 0.0091 0.0124 0.0090 1998 GLY 129 C 0.0118 0.0058 0.0072 1999 GLY 129 O 0.0165 0.0033 0.0111 2000 GLY 129 H 0.0010 0.0159 0.0016 2001 GLY 129 HA3 0.0108 0.0154 0.0136 2002 GLY 129 HA2 0.0098 0.0115 0.0093 2003 VAL 130 N 0.0084 0.0057 0.0033 2004 VAL 130 CA 0.0096 0.0018 0.0020 2005 VAL 130 C 0.0096 -0.0021 -0.0007 2006 VAL 130 O 0.0105 -0.0055 -0.0021 2007 VAL 130 CB 0.0075 0.0023 -0.0001 2008 VAL 130 CG1 0.0078 0.0055 0.0025 2009 VAL 130 CG2 0.0037 0.0037 -0.0037 2010 VAL 130 OXT 0.0086 -0.0011 -0.0012 2011 VAL 130 H 0.0059 0.0070 0.0013 2012 VAL 130 HA 0.0122 0.0009 0.0045 2013 VAL 130 HB 0.0084 -0.0008 -0.0012 2014 VAL 130 HG11 0.0063 0.0058 0.0009 2015 VAL 130 HG12 0.0105 0.0043 0.0049 2016 VAL 130 HG13 0.0070 0.0086 0.0037 2017 VAL 130 HG21 0.0022 0.0041 -0.0052 2018 VAL 130 HG22 0.0027 0.0067 -0.0027 2019 VAL 130 HG23 0.0036 0.0012 -0.0056