1 ASN 1 N 0.0023 0.0134 0.0413 2 ASN 1 CA -0.0002 -0.0121 0.0355 3 ASN 1 C -0.0039 -0.0342 0.0271 4 ASN 1 O 0.0002 -0.0574 0.0362 5 ASN 1 CB -0.0091 -0.0075 0.0152 6 ASN 1 CG -0.0123 -0.0339 0.0079 7 ASN 1 OD1 -0.0226 -0.0353 -0.0153 8 ASN 1 ND2 -0.0056 -0.0529 0.0230 9 ASN 1 H1 0.0046 0.0277 0.0467 10 ASN 1 H2 0.0084 0.0100 0.0552 11 ASN 1 HA 0.0073 -0.0191 0.0525 12 ASN 1 HB3 -0.0165 0.0016 -0.0013 13 ASN 1 HB2 -0.0062 0.0072 0.0221 14 ASN 1 HD22 -0.0078 -0.0704 0.0179 15 ASN 1 HD21 0.0020 -0.0510 0.0405 16 LEU 2 N -0.0116 -0.0270 0.0095 17 LEU 2 CA -0.0152 -0.0456 0.0013 18 LEU 2 C -0.0075 -0.0442 0.0188 19 LEU 2 O -0.0089 -0.0590 0.0155 20 LEU 2 CB -0.0270 -0.0390 -0.0255 21 LEU 2 CG -0.0367 -0.0485 -0.0474 22 LEU 2 CD1 -0.0470 -0.0312 -0.0708 23 LEU 2 CD2 -0.0389 -0.0785 -0.0528 24 LEU 2 H -0.0152 -0.0083 0.0015 25 LEU 2 HA -0.0150 -0.0665 0.0016 26 LEU 2 HB3 -0.0282 -0.0463 -0.0283 27 LEU 2 HB2 -0.0278 -0.0169 -0.0271 28 LEU 2 HG -0.0343 -0.0463 -0.0421 29 LEU 2 HD11 -0.0537 -0.0385 -0.0861 30 LEU 2 HD12 -0.0453 -0.0098 -0.0668 31 LEU 2 HD13 -0.0494 -0.0330 -0.0763 32 LEU 2 HD21 -0.0458 -0.0853 -0.0684 33 LEU 2 HD22 -0.0410 -0.0812 -0.0575 34 LEU 2 HD23 -0.0316 -0.0906 -0.0362 35 GLY 3 N -0.0029 -0.0052 0.0118 36 GLY 3 CA -0.0035 -0.0062 0.0094 37 GLY 3 C -0.0018 -0.0058 0.0095 38 GLY 3 O -0.0006 -0.0048 0.0117 39 GLY 3 H -0.0032 -0.0044 0.0138 40 GLY 3 HA3 -0.0060 -0.0066 0.0095 41 GLY 3 HA2 -0.0030 -0.0069 0.0073 42 LEU 4 N -0.0016 -0.0068 0.0070 43 LEU 4 CA 0.0001 -0.0066 0.0066 44 LEU 4 C -0.0022 -0.0071 0.0063 45 LEU 4 O -0.0043 -0.0081 0.0047 46 LEU 4 CB 0.0023 -0.0072 0.0040 47 LEU 4 CG 0.0048 -0.0069 0.0036 48 LEU 4 CD1 0.0068 -0.0056 0.0061 49 LEU 4 CD2 0.0066 -0.0076 0.0007 50 LEU 4 H -0.0026 -0.0076 0.0052 51 LEU 4 HA 0.0013 -0.0056 0.0086 52 LEU 4 HB3 0.0011 -0.0081 0.0021 53 LEU 4 HB2 0.0034 -0.0070 0.0040 54 LEU 4 HG 0.0037 -0.0071 0.0034 55 LEU 4 HD11 0.0086 -0.0054 0.0058 56 LEU 4 HD12 0.0054 -0.0050 0.0081 57 LEU 4 HD13 0.0079 -0.0053 0.0063 58 LEU 4 HD21 0.0084 -0.0074 0.0004 59 LEU 4 HD22 0.0077 -0.0074 0.0009 60 LEU 4 HD23 0.0051 -0.0086 -0.0010 61 ASP 5 N 0.0071 0.0060 0.0050 62 ASP 5 CA 0.0066 0.0053 0.0046 63 ASP 5 C 0.0077 0.0053 0.0035 64 ASP 5 O 0.0089 0.0061 0.0035 65 ASP 5 CB 0.0061 0.0058 0.0057 66 ASP 5 CG 0.0047 0.0056 0.0067 67 ASP 5 OD1 0.0040 0.0048 0.0063 68 ASP 5 OD2 0.0042 0.0061 0.0078 69 ASP 5 H 0.0078 0.0068 0.0054 70 ASP 5 HA 0.0058 0.0045 0.0042 71 ASP 5 HB3 0.0060 0.0055 0.0054 72 ASP 5 HB2 0.0068 0.0067 0.0063 73 CYS 6 N 0.0074 0.0043 0.0025 74 CYS 6 CA 0.0083 0.0041 0.0014 75 CYS 6 C 0.0077 0.0034 0.0011 76 CYS 6 O 0.0064 0.0029 0.0016 77 CYS 6 CB 0.0088 0.0034 0.0002 78 CYS 6 SG 0.0095 0.0041 0.0004 79 CYS 6 H 0.0064 0.0036 0.0025 80 CYS 6 HA 0.0092 0.0049 0.0017 81 CYS 6 HB3 0.0095 0.0033 -0.0006 82 CYS 6 HB2 0.0079 0.0026 -0.0001 83 ASP 7 N 0.0093 0.0034 -0.0099 84 ASP 7 CA 0.0095 0.0002 -0.0118 85 ASP 7 C 0.0072 0.0032 -0.0125 86 ASP 7 O 0.0057 0.0077 -0.0115 87 ASP 7 CB 0.0080 -0.0035 -0.0160 88 ASP 7 CG 0.0041 -0.0012 -0.0191 89 ASP 7 OD1 0.0014 0.0008 -0.0210 90 ASP 7 OD2 0.0037 -0.0013 -0.0197 91 ASP 7 H 0.0069 0.0057 -0.0114 92 ASP 7 HA 0.0124 -0.0017 -0.0096 93 ASP 7 HB3 0.0098 -0.0060 -0.0154 94 ASP 7 HB2 0.0081 -0.0058 -0.0174 95 GLU 8 N 0.0070 0.0008 -0.0143 96 GLU 8 CA 0.0051 0.0033 -0.0150 97 GLU 8 C 0.0009 0.0063 -0.0180 98 GLU 8 O -0.0007 0.0100 -0.0175 99 GLU 8 CB 0.0055 -0.0002 -0.0168 100 GLU 8 CG 0.0054 -0.0050 -0.0200 101 GLU 8 CD 0.0089 -0.0083 -0.0181 102 GLU 8 OE1 0.0120 -0.0088 -0.0147 103 GLU 8 OE2 0.0084 -0.0103 -0.0199 104 GLU 8 H 0.0083 -0.0029 -0.0152 105 GLU 8 HA 0.0063 0.0058 -0.0120 106 GLU 8 HB3 0.0081 -0.0009 -0.0141 107 GLU 8 HB2 0.0034 0.0016 -0.0181 108 GLU 8 HG3 0.0051 -0.0068 -0.0215 109 GLU 8 HG2 0.0029 -0.0043 -0.0225 110 HIS 9 N -0.0078 -0.0041 -0.0245 111 HIS 9 CA -0.0150 0.0003 -0.0273 112 HIS 9 C -0.0133 0.0026 -0.0258 113 HIS 9 O -0.0171 0.0001 -0.0285 114 HIS 9 CB -0.0221 -0.0048 -0.0324 115 HIS 9 CG -0.0237 -0.0067 -0.0338 116 HIS 9 ND1 -0.0265 -0.0004 -0.0337 117 HIS 9 CD2 -0.0251 -0.0142 -0.0363 118 HIS 9 CE1 -0.0283 -0.0041 -0.0356 119 HIS 9 NE2 -0.0275 -0.0124 -0.0372 120 HIS 9 H -0.0052 -0.0101 -0.0245 121 HIS 9 HA -0.0162 0.0063 -0.0265 122 HIS 9 HB3 -0.0272 -0.0014 -0.0343 123 HIS 9 HB2 -0.0212 -0.0109 -0.0334 124 HIS 9 HD1 -0.0269 0.0058 -0.0324 125 HIS 9 HD2 -0.0241 -0.0201 -0.0372 126 HIS 9 HE1 -0.0301 -0.0001 -0.0356 127 SER 10 N -0.0074 0.0074 -0.0215 128 SER 10 CA -0.0049 0.0113 -0.0192 129 SER 10 C -0.0062 0.0209 -0.0175 130 SER 10 O -0.0052 0.0240 -0.0162 131 SER 10 CB 0.0037 0.0085 -0.0152 132 SER 10 OG 0.0071 0.0151 -0.0117 133 SER 10 H -0.0042 0.0087 -0.0194 134 SER 10 HA -0.0085 0.0095 -0.0215 135 SER 10 HB3 0.0068 0.0070 -0.0139 136 SER 10 HB2 0.0042 0.0027 -0.0163 137 SER 10 HG 0.0125 0.0132 -0.0092 138 SER 11 N -0.0401 -0.0057 0.0093 139 SER 11 CA -0.0430 0.0045 0.0140 140 SER 11 C -0.0339 0.0061 0.0124 141 SER 11 O -0.0370 0.0104 0.0149 142 SER 11 CB -0.0566 0.0027 0.0167 143 SER 11 OG -0.0588 -0.0088 0.0127 144 SER 11 H -0.0422 -0.0142 0.0064 145 SER 11 HA -0.0420 0.0127 0.0170 146 SER 11 HB3 -0.0631 0.0032 0.0185 147 SER 11 HB2 -0.0582 0.0097 0.0199 148 SER 11 HG -0.0531 -0.0092 0.0111 149 GLU 12 N -0.0226 0.0023 0.0081 150 GLU 12 CA -0.0125 0.0031 0.0059 151 GLU 12 C -0.0067 0.0161 0.0096 152 GLU 12 O -0.0016 0.0214 0.0104 153 GLU 12 CB -0.0023 -0.0052 0.0001 154 GLU 12 CG 0.0091 -0.0046 -0.0025 155 GLU 12 CD 0.0058 -0.0085 -0.0032 156 GLU 12 OE1 0.0021 -0.0194 -0.0066 157 GLU 12 OE2 0.0067 -0.0007 -0.0004 158 GLU 12 H -0.0206 -0.0012 0.0062 159 GLU 12 HA -0.0164 0.0000 0.0057 160 GLU 12 HB3 0.0008 -0.0030 0.0002 161 GLU 12 HB2 -0.0064 -0.0145 -0.0026 162 GLU 12 HG3 0.0136 0.0047 0.0000 163 GLU 12 HG2 0.0161 -0.0103 -0.0065 164 SER 13 N 0.0060 -0.0002 -0.0013 165 SER 13 CA 0.0056 0.0009 -0.0049 166 SER 13 C 0.0061 0.0011 -0.0059 167 SER 13 O 0.0047 0.0021 -0.0085 168 SER 13 CB 0.0081 0.0009 -0.0071 169 SER 13 OG 0.0116 0.0001 -0.0069 170 SER 13 H 0.0083 -0.0009 -0.0005 171 SER 13 HA 0.0030 0.0016 -0.0055 172 SER 13 HB3 0.0080 0.0007 -0.0061 173 SER 13 HB2 0.0074 0.0018 -0.0097 174 SER 13 HG 0.0117 0.0003 -0.0078 175 ARG 14 N 0.0080 0.0001 -0.0040 176 ARG 14 CA 0.0088 0.0002 -0.0049 177 ARG 14 C 0.0058 0.0006 -0.0041 178 ARG 14 O 0.0034 0.0006 -0.0020 179 ARG 14 CB 0.0120 -0.0010 -0.0030 180 ARG 14 CG 0.0151 -0.0016 -0.0035 181 ARG 14 CD 0.0183 -0.0021 -0.0044 182 ARG 14 NE 0.0214 -0.0027 -0.0045 183 ARG 14 CZ 0.0225 -0.0022 -0.0073 184 ARG 14 NH1 0.0207 -0.0010 -0.0101 185 ARG 14 NH2 0.0253 -0.0028 -0.0072 186 ARG 14 H 0.0090 -0.0007 -0.0019 187 ARG 14 HA 0.0095 0.0008 -0.0076 188 ARG 14 HB3 0.0126 -0.0010 -0.0038 189 ARG 14 HB2 0.0113 -0.0016 -0.0003 190 ARG 14 HG3 0.0154 -0.0023 -0.0012 191 ARG 14 HG2 0.0147 -0.0009 -0.0056 192 ARG 14 HD3 0.0181 -0.0014 -0.0068 193 ARG 14 HD2 0.0186 -0.0026 -0.0024 194 ARG 14 HE 0.0228 -0.0036 -0.0024 195 ARG 14 HH12 0.0215 -0.0007 -0.0121 196 ARG 14 HH11 0.0185 -0.0006 -0.0101 197 ARG 14 HH22 0.0261 -0.0024 -0.0093 198 ARG 14 HH21 0.0267 -0.0037 -0.0051 199 CYS 15 N 0.0044 -0.0036 -0.0002 200 CYS 15 CA 0.0032 -0.0027 -0.0003 201 CYS 15 C 0.0032 -0.0010 0.0003 202 CYS 15 O 0.0031 -0.0004 0.0004 203 CYS 15 CB 0.0016 -0.0032 -0.0010 204 CYS 15 SG 0.0000 -0.0021 -0.0013 205 CYS 15 H 0.0040 -0.0045 -0.0006 206 CYS 15 HA 0.0034 -0.0030 -0.0003 207 CYS 15 HB3 0.0014 -0.0030 -0.0011 208 CYS 15 HB2 0.0016 -0.0044 -0.0015 209 CYS 16 N 0.0033 -0.0002 0.0006 210 CYS 16 CA 0.0036 0.0014 0.0012 211 CYS 16 C 0.0030 0.0023 0.0013 212 CYS 16 O 0.0027 0.0017 0.0010 213 CYS 16 CB 0.0054 0.0015 0.0019 214 CYS 16 SG 0.0059 0.0034 0.0027 215 CYS 16 H 0.0032 -0.0007 0.0004 216 CYS 16 HA 0.0031 0.0020 0.0012 217 CYS 16 HB3 0.0059 0.0011 0.0020 218 CYS 16 HB2 0.0059 0.0006 0.0018 219 ARG 17 N 0.0045 0.0081 0.0029 220 ARG 17 CA 0.0052 0.0079 0.0027 221 ARG 17 C 0.0072 0.0083 0.0019 222 ARG 17 O 0.0078 0.0097 0.0011 223 ARG 17 CB 0.0040 0.0093 0.0027 224 ARG 17 CG 0.0044 0.0089 0.0026 225 ARG 17 CD 0.0032 0.0103 0.0025 226 ARG 17 NE 0.0036 0.0122 0.0017 227 ARG 17 CZ 0.0034 0.0135 0.0013 228 ARG 17 NH1 0.0029 0.0131 0.0016 229 ARG 17 NH2 0.0038 0.0152 0.0005 230 ARG 17 H 0.0041 0.0093 0.0026 231 ARG 17 HA 0.0050 0.0065 0.0033 232 ARG 17 HB3 0.0042 0.0107 0.0021 233 ARG 17 HB2 0.0025 0.0091 0.0032 234 ARG 17 HG3 0.0041 0.0075 0.0032 235 ARG 17 HG2 0.0058 0.0090 0.0021 236 ARG 17 HD3 0.0017 0.0102 0.0031 237 ARG 17 HD2 0.0035 0.0099 0.0026 238 ARG 17 HE 0.0040 0.0125 0.0015 239 ARG 17 HH12 0.0028 0.0141 0.0013 240 ARG 17 HH11 0.0026 0.0118 0.0022 241 ARG 17 HH22 0.0037 0.0162 0.0002 242 ARG 17 HH21 0.0042 0.0155 0.0003 243 TYR 18 N 0.0083 0.0069 0.0020 244 TYR 18 CA 0.0103 0.0070 0.0012 245 TYR 18 C 0.0107 0.0072 0.0010 246 TYR 18 O 0.0096 0.0067 0.0016 247 TYR 18 CB 0.0115 0.0053 0.0014 248 TYR 18 CG 0.0114 0.0051 0.0015 249 TYR 18 CD1 0.0100 0.0044 0.0023 250 TYR 18 CD2 0.0128 0.0057 0.0008 251 TYR 18 CE1 0.0100 0.0043 0.0024 252 TYR 18 CE2 0.0128 0.0056 0.0008 253 TYR 18 CZ 0.0114 0.0049 0.0016 254 TYR 18 OH 0.0113 0.0047 0.0017 255 TYR 18 H 0.0078 0.0058 0.0026 256 TYR 18 HA 0.0107 0.0082 0.0006 257 TYR 18 HB3 0.0129 0.0053 0.0009 258 TYR 18 HB2 0.0110 0.0041 0.0021 259 TYR 18 HD1 0.0089 0.0039 0.0029 260 TYR 18 HD2 0.0140 0.0063 0.0002 261 TYR 18 HE1 0.0088 0.0037 0.0030 262 TYR 18 HE2 0.0139 0.0061 0.0003 263 TYR 18 HH 0.0102 0.0042 0.0023 264 PRO 19 N 0.0096 0.0048 0.0016 265 PRO 19 CA 0.0095 0.0043 0.0017 266 PRO 19 C 0.0093 0.0044 0.0016 267 PRO 19 O 0.0090 0.0048 0.0013 268 PRO 19 CB 0.0091 0.0039 0.0016 269 PRO 19 CG 0.0088 0.0043 0.0014 270 PRO 19 CD 0.0092 0.0047 0.0014 271 PRO 19 HA 0.0098 0.0041 0.0020 272 PRO 19 HB3 0.0093 0.0037 0.0018 273 PRO 19 HB2 0.0088 0.0037 0.0016 274 PRO 19 HG3 0.0087 0.0041 0.0014 275 PRO 19 HG2 0.0085 0.0044 0.0012 276 PRO 19 HD2 0.0090 0.0051 0.0012 277 PRO 19 HD3 0.0094 0.0046 0.0016 278 LEU 20 N 0.0094 0.0042 0.0017 279 LEU 20 CA 0.0092 0.0042 0.0016 280 LEU 20 C 0.0092 0.0037 0.0018 281 LEU 20 O 0.0096 0.0036 0.0020 282 LEU 20 CB 0.0094 0.0047 0.0016 283 LEU 20 CG 0.0093 0.0047 0.0015 284 LEU 20 CD1 0.0087 0.0048 0.0012 285 LEU 20 CD2 0.0096 0.0051 0.0015 286 LEU 20 H 0.0096 0.0039 0.0019 287 LEU 20 HA 0.0088 0.0043 0.0014 288 LEU 20 HB3 0.0098 0.0047 0.0018 289 LEU 20 HB2 0.0094 0.0050 0.0014 290 LEU 20 HG 0.0093 0.0043 0.0016 291 LEU 20 HD11 0.0086 0.0049 0.0011 292 LEU 20 HD12 0.0085 0.0045 0.0012 293 LEU 20 HD13 0.0087 0.0052 0.0010 294 LEU 20 HD21 0.0095 0.0051 0.0015 295 LEU 20 HD22 0.0096 0.0055 0.0014 296 LEU 20 HD23 0.0100 0.0050 0.0017 297 THR 21 N 0.0008 0.0039 0.0058 298 THR 21 CA -0.0005 0.0016 0.0072 299 THR 21 C -0.0017 0.0005 0.0064 300 THR 21 O -0.0024 0.0006 0.0040 301 THR 21 CB -0.0017 0.0003 0.0066 302 THR 21 OG1 -0.0006 0.0014 0.0075 303 THR 21 CG2 -0.0031 -0.0021 0.0080 304 THR 21 H 0.0004 0.0043 0.0039 305 THR 21 HA 0.0002 0.0016 0.0093 306 THR 21 HB -0.0023 0.0005 0.0044 307 THR 21 HG1 -0.0000 0.0013 0.0094 308 THR 21 HG21 -0.0039 -0.0029 0.0075 309 THR 21 HG22 -0.0040 -0.0029 0.0072 310 THR 21 HG23 -0.0025 -0.0022 0.0101 311 VAL 22 N -0.0019 -0.0006 0.0084 312 VAL 22 CA -0.0030 -0.0020 0.0079 313 VAL 22 C -0.0047 -0.0044 0.0085 314 VAL 22 O -0.0046 -0.0052 0.0106 315 VAL 22 CB -0.0022 -0.0017 0.0098 316 VAL 22 CG1 -0.0036 -0.0035 0.0098 317 VAL 22 CG2 -0.0007 0.0007 0.0089 318 VAL 22 H -0.0012 -0.0006 0.0103 319 VAL 22 HA -0.0034 -0.0015 0.0059 320 VAL 22 HB -0.0016 -0.0018 0.0118 321 VAL 22 HG11 -0.0029 -0.0032 0.0111 322 VAL 22 HG12 -0.0046 -0.0051 0.0105 323 VAL 22 HG13 -0.0042 -0.0034 0.0078 324 VAL 22 HG21 -0.0001 0.0009 0.0102 325 VAL 22 HG22 -0.0012 0.0009 0.0069 326 VAL 22 HG23 0.0003 0.0019 0.0090 327 ASP 23 N -0.0091 -0.0068 0.0118 328 ASP 23 CA -0.0082 -0.0075 0.0111 329 ASP 23 C -0.0067 -0.0072 0.0118 330 ASP 23 O -0.0066 -0.0065 0.0128 331 ASP 23 CB -0.0089 -0.0075 0.0109 332 ASP 23 CG -0.0081 -0.0082 0.0101 333 ASP 23 OD1 -0.0068 -0.0081 0.0105 334 ASP 23 OD2 -0.0086 -0.0088 0.0090 335 ASP 23 H -0.0095 -0.0062 0.0125 336 ASP 23 HA -0.0080 -0.0081 0.0102 337 ASP 23 HB3 -0.0091 -0.0069 0.0117 338 ASP 23 HB2 -0.0100 -0.0076 0.0104 339 PHE 24 N -0.0055 -0.0077 0.0113 340 PHE 24 CA -0.0041 -0.0075 0.0120 341 PHE 24 C -0.0034 -0.0075 0.0121 342 PHE 24 O -0.0026 -0.0069 0.0131 343 PHE 24 CB -0.0030 -0.0081 0.0114 344 PHE 24 CG -0.0034 -0.0080 0.0115 345 PHE 24 CD1 -0.0035 -0.0071 0.0126 346 PHE 24 CD2 -0.0037 -0.0087 0.0104 347 PHE 24 CE1 -0.0039 -0.0070 0.0127 348 PHE 24 CE2 -0.0041 -0.0086 0.0105 349 PHE 24 CZ -0.0042 -0.0077 0.0116 350 PHE 24 H -0.0057 -0.0083 0.0105 351 PHE 24 HA -0.0042 -0.0068 0.0129 352 PHE 24 HB3 -0.0019 -0.0080 0.0118 353 PHE 24 HB2 -0.0030 -0.0088 0.0104 354 PHE 24 HD1 -0.0033 -0.0066 0.0134 355 PHE 24 HD2 -0.0036 -0.0093 0.0095 356 PHE 24 HE1 -0.0040 -0.0064 0.0135 357 PHE 24 HE2 -0.0043 -0.0091 0.0096 358 PHE 24 HZ -0.0045 -0.0076 0.0117 359 GLU 25 N -0.0031 -0.0093 0.0148 360 GLU 25 CA -0.0022 -0.0093 0.0150 361 GLU 25 C -0.0030 -0.0085 0.0163 362 GLU 25 O -0.0021 -0.0082 0.0172 363 GLU 25 CB -0.0023 -0.0101 0.0135 364 GLU 25 CG -0.0021 -0.0109 0.0119 365 GLU 25 CD -0.0022 -0.0116 0.0105 366 GLU 25 OE1 -0.0037 -0.0116 0.0101 367 GLU 25 OE2 -0.0008 -0.0121 0.0098 368 GLU 25 H -0.0039 -0.0097 0.0138 369 GLU 25 HA -0.0008 -0.0093 0.0154 370 GLU 25 HB3 -0.0013 -0.0101 0.0136 371 GLU 25 HB2 -0.0035 -0.0100 0.0134 372 GLU 25 HG3 -0.0031 -0.0108 0.0118 373 GLU 25 HG2 -0.0008 -0.0110 0.0120 374 ALA 26 N -0.0048 -0.0083 0.0164 375 ALA 26 CA -0.0057 -0.0076 0.0176 376 ALA 26 C -0.0053 -0.0068 0.0193 377 ALA 26 O -0.0058 -0.0061 0.0205 378 ALA 26 CB -0.0077 -0.0075 0.0173 379 ALA 26 H -0.0055 -0.0086 0.0157 380 ALA 26 HA -0.0053 -0.0076 0.0176 381 ALA 26 HB1 -0.0084 -0.0070 0.0182 382 ALA 26 HB2 -0.0081 -0.0081 0.0161 383 ALA 26 HB3 -0.0082 -0.0075 0.0173 384 PHE 27 N -0.0043 -0.0064 0.0142 385 PHE 27 CA -0.0036 -0.0057 0.0152 386 PHE 27 C -0.0028 -0.0066 0.0155 387 PHE 27 O -0.0023 -0.0061 0.0161 388 PHE 27 CB -0.0028 -0.0052 0.0161 389 PHE 27 CG -0.0035 -0.0042 0.0160 390 PHE 27 CD1 -0.0047 -0.0037 0.0152 391 PHE 27 CD2 -0.0030 -0.0037 0.0167 392 PHE 27 CE1 -0.0054 -0.0027 0.0151 393 PHE 27 CE2 -0.0036 -0.0028 0.0166 394 PHE 27 CZ -0.0048 -0.0023 0.0158 395 PHE 27 H -0.0040 -0.0071 0.0142 396 PHE 27 HA -0.0041 -0.0047 0.0152 397 PHE 27 HB3 -0.0022 -0.0047 0.0169 398 PHE 27 HB2 -0.0023 -0.0061 0.0161 399 PHE 27 HD1 -0.0052 -0.0040 0.0146 400 PHE 27 HD2 -0.0020 -0.0041 0.0173 401 PHE 27 HE1 -0.0063 -0.0023 0.0144 402 PHE 27 HE2 -0.0032 -0.0024 0.0172 403 PHE 27 HZ -0.0053 -0.0015 0.0157 404 GLY 28 N -0.0027 -0.0080 0.0149 405 GLY 28 CA -0.0020 -0.0089 0.0151 406 GLY 28 C -0.0007 -0.0097 0.0158 407 GLY 28 O -0.0000 -0.0105 0.0160 408 GLY 28 H -0.0031 -0.0083 0.0144 409 GLY 28 HA3 -0.0020 -0.0084 0.0153 410 GLY 28 HA2 -0.0024 -0.0097 0.0143 411 TRP 29 N 0.0041 -0.0090 0.0165 412 TRP 29 CA 0.0053 -0.0092 0.0159 413 TRP 29 C 0.0065 -0.0099 0.0138 414 TRP 29 O 0.0056 -0.0104 0.0122 415 TRP 29 CB 0.0037 -0.0092 0.0159 416 TRP 29 CG 0.0024 -0.0086 0.0179 417 TRP 29 CD1 0.0027 -0.0080 0.0197 418 TRP 29 CD2 0.0007 -0.0085 0.0183 419 TRP 29 NE1 0.0012 -0.0075 0.0212 420 TRP 29 CE2 0.0000 -0.0078 0.0204 421 TRP 29 CE3 -0.0003 -0.0089 0.0171 422 TRP 29 CZ2 -0.0016 -0.0075 0.0213 423 TRP 29 CZ3 -0.0019 -0.0086 0.0180 424 TRP 29 CH2 -0.0026 -0.0079 0.0201 425 TRP 29 H 0.0025 -0.0091 0.0163 426 TRP 29 HA 0.0065 -0.0088 0.0171 427 TRP 29 HB3 0.0046 -0.0094 0.0155 428 TRP 29 HB2 0.0025 -0.0097 0.0146 429 TRP 29 HD1 0.0039 -0.0079 0.0198 430 TRP 29 HE1 0.0012 -0.0070 0.0227 431 TRP 29 HE3 0.0002 -0.0094 0.0155 432 TRP 29 HZ2 -0.0021 -0.0070 0.0229 433 TRP 29 HZ3 -0.0027 -0.0089 0.0171 434 TRP 29 HH2 -0.0039 -0.0077 0.0207 435 ASP 30 N 0.0086 -0.0098 0.0139 436 ASP 30 CA 0.0099 -0.0104 0.0120 437 ASP 30 C 0.0106 -0.0107 0.0111 438 ASP 30 O 0.0114 -0.0113 0.0093 439 ASP 30 CB 0.0120 -0.0103 0.0124 440 ASP 30 CG 0.0135 -0.0097 0.0140 441 ASP 30 OD1 0.0127 -0.0092 0.0157 442 ASP 30 OD2 0.0156 -0.0098 0.0136 443 ASP 30 H 0.0093 -0.0093 0.0153 444 ASP 30 HA 0.0089 -0.0109 0.0108 445 ASP 30 HB3 0.0114 -0.0101 0.0130 446 ASP 30 HB2 0.0128 -0.0107 0.0109 447 TRP 31 N 0.0108 -0.0101 0.0125 448 TRP 31 CA 0.0096 -0.0097 0.0112 449 TRP 31 C 0.0073 -0.0093 0.0095 450 TRP 31 O 0.0062 -0.0088 0.0080 451 TRP 31 CB 0.0086 -0.0108 0.0130 452 TRP 31 CG 0.0069 -0.0120 0.0148 453 TRP 31 CD1 0.0077 -0.0129 0.0170 454 TRP 31 CD2 0.0041 -0.0125 0.0146 455 TRP 31 NE1 0.0055 -0.0139 0.0181 456 TRP 31 CE2 0.0033 -0.0137 0.0167 457 TRP 31 CE3 0.0021 -0.0120 0.0128 458 TRP 31 CZ2 0.0006 -0.0144 0.0170 459 TRP 31 CZ3 -0.0005 -0.0127 0.0132 460 TRP 31 CH2 -0.0012 -0.0138 0.0153 461 TRP 31 H 0.0104 -0.0110 0.0142 462 TRP 31 HA 0.0111 -0.0090 0.0102 463 TRP 31 HB3 0.0103 -0.0109 0.0140 464 TRP 31 HB2 0.0076 -0.0105 0.0120 465 TRP 31 HD1 0.0098 -0.0128 0.0176 466 TRP 31 HE1 0.0057 -0.0147 0.0198 467 TRP 31 HE3 0.0027 -0.0111 0.0112 468 TRP 31 HZ2 0.0001 -0.0153 0.0187 469 TRP 31 HZ3 -0.0020 -0.0123 0.0118 470 TRP 31 HH2 -0.0033 -0.0144 0.0155 471 ILE 32 N 0.0065 -0.0095 0.0096 472 ILE 32 CA 0.0047 -0.0089 0.0077 473 ILE 32 C 0.0062 -0.0077 0.0058 474 ILE 32 O 0.0077 -0.0077 0.0064 475 ILE 32 CB 0.0027 -0.0098 0.0086 476 ILE 32 CG1 0.0006 -0.0108 0.0099 477 ILE 32 CG2 0.0013 -0.0091 0.0066 478 ILE 32 CD1 -0.0007 -0.0120 0.0116 479 ILE 32 H 0.0072 -0.0101 0.0110 480 ILE 32 HA 0.0036 -0.0087 0.0068 481 ILE 32 HB 0.0038 -0.0102 0.0099 482 ILE 32 HG13 0.0016 -0.0111 0.0109 483 ILE 32 HG12 -0.0008 -0.0105 0.0086 484 ILE 32 HG21 -0.0001 -0.0097 0.0073 485 ILE 32 HG22 0.0028 -0.0083 0.0057 486 ILE 32 HG23 0.0003 -0.0086 0.0053 487 ILE 32 HD11 -0.0022 -0.0127 0.0125 488 ILE 32 HD12 0.0008 -0.0124 0.0130 489 ILE 32 HD13 -0.0017 -0.0117 0.0107 490 ILE 33 N 0.0055 -0.0046 0.0045 491 ILE 33 CA 0.0069 -0.0026 0.0036 492 ILE 33 C 0.0056 -0.0040 0.0035 493 ILE 33 O 0.0068 -0.0034 0.0049 494 ILE 33 CB 0.0071 -0.0004 0.0002 495 ILE 33 CG1 0.0086 0.0011 0.0003 496 ILE 33 CG2 0.0084 0.0017 -0.0009 497 ILE 33 CD1 0.0082 0.0027 -0.0030 498 ILE 33 H 0.0041 -0.0050 0.0027 499 ILE 33 HA 0.0089 -0.0015 0.0055 500 ILE 33 HB 0.0051 -0.0014 -0.0017 501 ILE 33 HG13 0.0079 -0.0004 0.0018 502 ILE 33 HG12 0.0106 0.0026 0.0018 503 ILE 33 HG21 0.0085 0.0032 -0.0033 504 ILE 33 HG22 0.0073 0.0006 -0.0011 505 ILE 33 HG23 0.0104 0.0028 0.0010 506 ILE 33 HD11 0.0093 0.0037 -0.0027 507 ILE 33 HD12 0.0061 0.0013 -0.0044 508 ILE 33 HD13 0.0089 0.0043 -0.0044 509 ALA 34 N 0.0030 -0.0058 0.0019 510 ALA 34 CA 0.0015 -0.0073 0.0016 511 ALA 34 C -0.0014 -0.0101 0.0009 512 ALA 34 O -0.0024 -0.0102 -0.0007 513 ALA 34 CB 0.0016 -0.0055 -0.0012 514 ALA 34 H 0.0020 -0.0062 0.0008 515 ALA 34 HA 0.0023 -0.0078 0.0039 516 ALA 34 HB1 0.0004 -0.0067 -0.0014 517 ALA 34 HB2 0.0036 -0.0036 -0.0007 518 ALA 34 HB3 0.0008 -0.0050 -0.0036 519 PRO 35 N -0.0028 -0.0098 0.0046 520 PRO 35 CA -0.0037 -0.0100 0.0049 521 PRO 35 C -0.0034 -0.0093 0.0070 522 PRO 35 O -0.0029 -0.0087 0.0085 523 PRO 35 CB -0.0061 -0.0108 0.0046 524 PRO 35 CG -0.0064 -0.0106 0.0055 525 PRO 35 CD -0.0044 -0.0102 0.0049 526 PRO 35 HA -0.0031 -0.0102 0.0036 527 PRO 35 HB3 -0.0063 -0.0114 0.0029 528 PRO 35 HB2 -0.0070 -0.0108 0.0056 529 PRO 35 HG3 -0.0077 -0.0113 0.0047 530 PRO 35 HG2 -0.0067 -0.0102 0.0072 531 PRO 35 HD2 -0.0041 -0.0097 0.0062 532 PRO 35 HD3 -0.0045 -0.0107 0.0033 533 LYS 36 N -0.0037 -0.0093 0.0073 534 LYS 36 CA -0.0035 -0.0087 0.0093 535 LYS 36 C -0.0055 -0.0088 0.0108 536 LYS 36 O -0.0054 -0.0082 0.0127 537 LYS 36 CB -0.0032 -0.0087 0.0089 538 LYS 36 CG -0.0012 -0.0085 0.0075 539 LYS 36 CD 0.0008 -0.0076 0.0086 540 LYS 36 CE 0.0028 -0.0074 0.0072 541 LYS 36 NZ 0.0046 -0.0066 0.0080 542 LYS 36 H -0.0041 -0.0098 0.0060 543 LYS 36 HA -0.0022 -0.0081 0.0100 544 LYS 36 HB3 -0.0031 -0.0082 0.0105 545 LYS 36 HB2 -0.0045 -0.0093 0.0083 546 LYS 36 HG3 -0.0012 -0.0086 0.0071 547 LYS 36 HG2 -0.0012 -0.0089 0.0061 548 LYS 36 HD3 0.0008 -0.0075 0.0090 549 LYS 36 HD2 0.0008 -0.0072 0.0101 550 LYS 36 HE3 0.0031 -0.0073 0.0072 551 LYS 36 HE2 0.0026 -0.0079 0.0056 552 LYS 36 HZ1 0.0044 -0.0067 0.0080 553 LYS 36 HZ2 0.0060 -0.0065 0.0071 554 LYS 36 HZ3 0.0049 -0.0061 0.0095 555 ARG 37 N -0.0097 -0.0077 0.0100 556 ARG 37 CA -0.0089 -0.0067 0.0093 557 ARG 37 C -0.0074 -0.0067 0.0101 558 ARG 37 O -0.0072 -0.0076 0.0113 559 ARG 37 CB -0.0099 -0.0065 0.0087 560 ARG 37 CG -0.0098 -0.0073 0.0095 561 ARG 37 CD -0.0107 -0.0071 0.0088 562 ARG 37 NE -0.0122 -0.0070 0.0080 563 ARG 37 CZ -0.0133 -0.0080 0.0084 564 ARG 37 NH1 -0.0132 -0.0090 0.0096 565 ARG 37 NH2 -0.0146 -0.0078 0.0076 566 ARG 37 H -0.0094 -0.0084 0.0109 567 ARG 37 HA -0.0087 -0.0059 0.0085 568 ARG 37 HB3 -0.0111 -0.0068 0.0083 569 ARG 37 HB2 -0.0096 -0.0057 0.0078 570 ARG 37 HG3 -0.0086 -0.0070 0.0099 571 ARG 37 HG2 -0.0102 -0.0081 0.0103 572 ARG 37 HD3 -0.0101 -0.0063 0.0082 573 ARG 37 HD2 -0.0109 -0.0077 0.0095 574 ARG 37 HE -0.0122 -0.0063 0.0071 575 ARG 37 HH12 -0.0141 -0.0097 0.0099 576 ARG 37 HH11 -0.0122 -0.0091 0.0102 577 ARG 37 HH22 -0.0155 -0.0085 0.0079 578 ARG 37 HH21 -0.0147 -0.0071 0.0067 579 TYR 38 N -0.0064 -0.0057 0.0096 580 TYR 38 CA -0.0049 -0.0057 0.0103 581 TYR 38 C -0.0041 -0.0046 0.0095 582 TYR 38 O -0.0046 -0.0038 0.0083 583 TYR 38 CB -0.0040 -0.0057 0.0109 584 TYR 38 CG -0.0032 -0.0046 0.0100 585 TYR 38 CD1 -0.0040 -0.0042 0.0091 586 TYR 38 CD2 -0.0017 -0.0040 0.0101 587 TYR 38 CE1 -0.0033 -0.0031 0.0083 588 TYR 38 CE2 -0.0010 -0.0030 0.0094 589 TYR 38 CZ -0.0018 -0.0026 0.0085 590 TYR 38 OH -0.0010 -0.0016 0.0077 591 TYR 38 H -0.0067 -0.0050 0.0086 592 TYR 38 HA -0.0050 -0.0064 0.0110 593 TYR 38 HB3 -0.0047 -0.0064 0.0112 594 TYR 38 HB2 -0.0031 -0.0061 0.0117 595 TYR 38 HD1 -0.0052 -0.0046 0.0090 596 TYR 38 HD2 -0.0010 -0.0043 0.0109 597 TYR 38 HE1 -0.0039 -0.0028 0.0076 598 TYR 38 HE2 0.0002 -0.0026 0.0095 599 TYR 38 HH 0.0000 -0.0013 0.0080 600 LYS 39 N 0.0003 0.0039 0.0113 601 LYS 39 CA 0.0027 0.0045 0.0100 602 LYS 39 C 0.0031 0.0045 0.0091 603 LYS 39 O 0.0036 0.0049 0.0105 604 LYS 39 CB 0.0047 0.0054 0.0117 605 LYS 39 CG 0.0046 0.0054 0.0123 606 LYS 39 CD 0.0066 0.0063 0.0140 607 LYS 39 CE 0.0056 0.0064 0.0166 608 LYS 39 NZ 0.0047 0.0063 0.0180 609 LYS 39 H 0.0002 0.0042 0.0131 610 LYS 39 HA 0.0027 0.0043 0.0083 611 LYS 39 HB3 0.0064 0.0058 0.0108 612 LYS 39 HB2 0.0046 0.0056 0.0134 613 LYS 39 HG3 0.0028 0.0050 0.0133 614 LYS 39 HG2 0.0047 0.0052 0.0106 615 LYS 39 HD3 0.0075 0.0065 0.0132 616 LYS 39 HD2 0.0079 0.0067 0.0141 617 LYS 39 HE3 0.0042 0.0059 0.0166 618 LYS 39 HE2 0.0071 0.0070 0.0177 619 LYS 39 HZ1 0.0036 0.0058 0.0169 620 LYS 39 HZ2 0.0061 0.0068 0.0185 621 LYS 39 HZ3 0.0038 0.0062 0.0196 622 ALA 40 N 0.0029 0.0041 0.0066 623 ALA 40 CA 0.0033 0.0040 0.0056 624 ALA 40 C 0.0059 0.0047 0.0047 625 ALA 40 O 0.0068 0.0050 0.0048 626 ALA 40 CB 0.0016 0.0032 0.0034 627 ALA 40 H 0.0025 0.0038 0.0055 628 ALA 40 HA 0.0028 0.0041 0.0070 629 ALA 40 HB1 0.0019 0.0032 0.0026 630 ALA 40 HB2 -0.0002 0.0027 0.0041 631 ALA 40 HB3 0.0020 0.0031 0.0020 632 ASN 41 N 0.0092 0.0076 0.0029 633 ASN 41 CA 0.0094 0.0078 0.0028 634 ASN 41 C 0.0091 0.0071 0.0029 635 ASN 41 O 0.0088 0.0065 0.0031 636 ASN 41 CB 0.0091 0.0086 0.0030 637 ASN 41 CG 0.0092 0.0093 0.0029 638 ASN 41 OD1 0.0098 0.0096 0.0026 639 ASN 41 ND2 0.0087 0.0097 0.0033 640 ASN 41 H 0.0096 0.0076 0.0026 641 ASN 41 HA 0.0100 0.0079 0.0024 642 ASN 41 HB3 0.0093 0.0088 0.0029 643 ASN 41 HB2 0.0085 0.0086 0.0034 644 ASN 41 HD22 0.0088 0.0102 0.0033 645 ASN 41 HD21 0.0082 0.0095 0.0036 646 TYR 42 N 0.0094 0.0072 0.0028 647 TYR 42 CA 0.0091 0.0066 0.0029 648 TYR 42 C 0.0092 0.0069 0.0028 649 TYR 42 O 0.0096 0.0076 0.0026 650 TYR 42 CB 0.0095 0.0057 0.0026 651 TYR 42 CG 0.0103 0.0058 0.0021 652 TYR 42 CD1 0.0108 0.0062 0.0018 653 TYR 42 CD2 0.0106 0.0055 0.0019 654 TYR 42 CE1 0.0115 0.0063 0.0014 655 TYR 42 CE2 0.0113 0.0056 0.0015 656 TYR 42 CZ 0.0117 0.0060 0.0012 657 TYR 42 OH 0.0124 0.0060 0.0007 658 TYR 42 H 0.0097 0.0076 0.0026 659 TYR 42 HA 0.0086 0.0064 0.0032 660 TYR 42 HB3 0.0095 0.0055 0.0026 661 TYR 42 HB2 0.0093 0.0053 0.0027 662 TYR 42 HD1 0.0106 0.0065 0.0019 663 TYR 42 HD2 0.0102 0.0052 0.0021 664 TYR 42 HE1 0.0119 0.0066 0.0011 665 TYR 42 HE2 0.0114 0.0053 0.0014 666 TYR 42 HH 0.0125 0.0056 0.0007 667 CYS 43 N 0.0052 0.0047 0.0010 668 CYS 43 CA 0.0051 0.0044 0.0011 669 CYS 43 C 0.0059 0.0033 0.0011 670 CYS 43 O 0.0061 0.0023 0.0012 671 CYS 43 CB 0.0037 0.0041 0.0012 672 CYS 43 SG 0.0025 0.0053 0.0012 673 CYS 43 H 0.0047 0.0041 0.0011 674 CYS 43 HA 0.0053 0.0053 0.0010 675 CYS 43 HB3 0.0036 0.0039 0.0012 676 CYS 43 HB2 0.0034 0.0032 0.0013 677 SER 44 N 0.0065 0.0035 0.0010 678 SER 44 CA 0.0073 0.0025 0.0011 679 SER 44 C 0.0075 0.0027 0.0010 680 SER 44 O 0.0076 0.0038 0.0009 681 SER 44 CB 0.0087 0.0025 0.0010 682 SER 44 OG 0.0095 0.0016 0.0010 683 SER 44 H 0.0064 0.0043 0.0010 684 SER 44 HA 0.0069 0.0016 0.0012 685 SER 44 HB3 0.0091 0.0035 0.0009 686 SER 44 HB2 0.0086 0.0023 0.0010 687 SER 44 HG 0.0095 0.0008 0.0010 688 GLY 45 N 0.0048 -0.0012 -0.0019 689 GLY 45 CA 0.0070 -0.0022 -0.0018 690 GLY 45 C 0.0060 -0.0051 -0.0035 691 GLY 45 O 0.0033 -0.0061 -0.0048 692 GLY 45 H 0.0038 -0.0029 -0.0030 693 GLY 45 HA3 0.0070 -0.0003 -0.0008 694 GLY 45 HA2 0.0096 -0.0027 -0.0013 695 GLN 46 N 0.0082 -0.0064 -0.0036 696 GLN 46 CA 0.0075 -0.0093 -0.0052 697 GLN 46 C 0.0051 -0.0086 -0.0056 698 GLN 46 O 0.0049 -0.0061 -0.0043 699 GLN 46 CB 0.0109 -0.0110 -0.0052 700 GLN 46 CG 0.0135 -0.0119 -0.0050 701 GLN 46 CD 0.0122 -0.0139 -0.0064 702 GLN 46 OE1 0.0114 -0.0165 -0.0079 703 GLN 46 NE2 0.0120 -0.0127 -0.0058 704 GLN 46 H 0.0103 -0.0054 -0.0025 705 GLN 46 HA 0.0064 -0.0108 -0.0063 706 GLN 46 HB3 0.0104 -0.0131 -0.0065 707 GLN 46 HB2 0.0120 -0.0096 -0.0042 708 GLN 46 HG3 0.0158 -0.0131 -0.0049 709 GLN 46 HG2 0.0142 -0.0097 -0.0037 710 GLN 46 HE22 0.0112 -0.0140 -0.0067 711 GLN 46 HE21 0.0127 -0.0106 -0.0045 712 CYS 47 N 0.0043 -0.0132 -0.0071 713 CYS 47 CA 0.0015 -0.0123 -0.0064 714 CYS 47 C 0.0028 -0.0150 -0.0081 715 CYS 47 O 0.0009 -0.0183 -0.0097 716 CYS 47 CB -0.0036 -0.0127 -0.0063 717 CYS 47 SG -0.0056 -0.0088 -0.0040 718 CYS 47 H 0.0043 -0.0160 -0.0087 719 CYS 47 HA 0.0023 -0.0092 -0.0048 720 CYS 47 HB3 -0.0055 -0.0127 -0.0061 721 CYS 47 HB2 -0.0043 -0.0156 -0.0079 722 GLU 48 N 0.0062 -0.0137 -0.0076 723 GLU 48 CA 0.0078 -0.0160 -0.0090 724 GLU 48 C 0.0066 -0.0140 -0.0078 725 GLU 48 O 0.0056 -0.0105 -0.0058 726 GLU 48 CB 0.0130 -0.0165 -0.0097 727 GLU 48 CG 0.0146 -0.0192 -0.0113 728 GLU 48 CD 0.0195 -0.0181 -0.0110 729 GLU 48 OE1 0.0219 -0.0159 -0.0100 730 GLU 48 OE2 0.0211 -0.0195 -0.0119 731 GLU 48 H 0.0077 -0.0109 -0.0062 732 GLU 48 HA 0.0061 -0.0190 -0.0105 733 GLU 48 HB3 0.0142 -0.0177 -0.0104 734 GLU 48 HB2 0.0147 -0.0136 -0.0082 735 GLU 48 HG3 0.0124 -0.0189 -0.0109 736 GLU 48 HG2 0.0144 -0.0223 -0.0130 737 TYR 49 N 0.0041 -0.0166 -0.0077 738 TYR 49 CA 0.0036 -0.0152 -0.0069 739 TYR 49 C 0.0005 -0.0138 -0.0057 740 TYR 49 O -0.0019 -0.0152 -0.0059 741 TYR 49 CB 0.0063 -0.0131 -0.0063 742 TYR 49 CG 0.0065 -0.0118 -0.0057 743 TYR 49 CD1 0.0065 -0.0134 -0.0065 744 TYR 49 CD2 0.0066 -0.0089 -0.0043 745 TYR 49 CE1 0.0067 -0.0122 -0.0060 746 TYR 49 CE2 0.0068 -0.0076 -0.0037 747 TYR 49 CZ 0.0068 -0.0093 -0.0045 748 TYR 49 OH 0.0070 -0.0081 -0.0039 749 TYR 49 H 0.0043 -0.0186 -0.0088 750 TYR 49 HA 0.0034 -0.0168 -0.0077 751 TYR 49 HB3 0.0064 -0.0114 -0.0055 752 TYR 49 HB2 0.0085 -0.0141 -0.0072 753 TYR 49 HD1 0.0064 -0.0156 -0.0077 754 TYR 49 HD2 0.0066 -0.0075 -0.0036 755 TYR 49 HE1 0.0067 -0.0135 -0.0066 756 TYR 49 HE2 0.0069 -0.0054 -0.0025 757 TYR 49 HH 0.0070 -0.0096 -0.0047 758 MET 50 N 0.0006 -0.0111 -0.0043 759 MET 50 CA -0.0021 -0.0095 -0.0030 760 MET 50 C -0.0018 -0.0072 -0.0019 761 MET 50 O -0.0037 -0.0053 -0.0006 762 MET 50 CB -0.0026 -0.0083 -0.0023 763 MET 50 CG -0.0028 -0.0105 -0.0034 764 MET 50 SD -0.0031 -0.0088 -0.0025 765 MET 50 CE -0.0069 -0.0076 -0.0012 766 MET 50 H 0.0026 -0.0101 -0.0042 767 MET 50 HA -0.0042 -0.0109 -0.0034 768 MET 50 HB3 -0.0047 -0.0072 -0.0014 769 MET 50 HB2 -0.0008 -0.0067 -0.0018 770 MET 50 HG3 -0.0007 -0.0116 -0.0043 771 MET 50 HG2 -0.0047 -0.0120 -0.0038 772 MET 50 HE1 -0.0075 -0.0065 -0.0005 773 MET 50 HE2 -0.0068 -0.0061 -0.0004 774 MET 50 HE3 -0.0086 -0.0093 -0.0018 775 PHE 51 N 0.0036 -0.0073 -0.0050 776 PHE 51 CA 0.0038 -0.0056 -0.0036 777 PHE 51 C 0.0007 -0.0060 -0.0025 778 PHE 51 O -0.0012 -0.0081 -0.0037 779 PHE 51 CB 0.0063 -0.0060 -0.0051 780 PHE 51 CG 0.0096 -0.0056 -0.0061 781 PHE 51 CD1 0.0109 -0.0034 -0.0046 782 PHE 51 CD2 0.0114 -0.0073 -0.0084 783 PHE 51 CE1 0.0139 -0.0029 -0.0055 784 PHE 51 CE2 0.0144 -0.0069 -0.0093 785 PHE 51 CZ 0.0156 -0.0047 -0.0079 786 PHE 51 H 0.0049 -0.0086 -0.0068 787 PHE 51 HA 0.0046 -0.0036 -0.0021 788 PHE 51 HB3 0.0065 -0.0048 -0.0040 789 PHE 51 HB2 0.0056 -0.0080 -0.0065 790 PHE 51 HD1 0.0096 -0.0020 -0.0027 791 PHE 51 HD2 0.0104 -0.0090 -0.0096 792 PHE 51 HE1 0.0149 -0.0012 -0.0043 793 PHE 51 HE2 0.0158 -0.0082 -0.0112 794 PHE 51 HZ 0.0180 -0.0043 -0.0086 795 MET 52 N 0.0001 -0.0038 -0.0003 796 MET 52 CA -0.0026 -0.0038 0.0009 797 MET 52 C -0.0058 -0.0052 0.0011 798 MET 52 O -0.0081 -0.0063 0.0010 799 MET 52 CB -0.0023 -0.0051 -0.0004 800 MET 52 CG 0.0010 -0.0043 -0.0011 801 MET 52 SD 0.0022 -0.0009 0.0015 802 MET 52 CE -0.0003 -0.0008 0.0026 803 MET 52 H 0.0015 -0.0021 0.0007 804 MET 52 HA -0.0026 -0.0018 0.0027 805 MET 52 HB3 -0.0040 -0.0047 0.0007 806 MET 52 HB2 -0.0030 -0.0072 -0.0020 807 MET 52 HG3 0.0010 -0.0054 -0.0021 808 MET 52 HG2 0.0027 -0.0048 -0.0023 809 MET 52 HE1 0.0002 0.0011 0.0042 810 MET 52 HE2 0.0003 -0.0020 0.0013 811 MET 52 HE3 -0.0028 -0.0015 0.0031 812 GLN 53 N -0.0078 -0.0060 -0.0039 813 GLN 53 CA -0.0087 -0.0063 -0.0044 814 GLN 53 C -0.0098 -0.0054 -0.0057 815 GLN 53 O -0.0104 -0.0052 -0.0062 816 GLN 53 CB -0.0096 -0.0079 -0.0039 817 GLN 53 CG -0.0086 -0.0089 -0.0026 818 GLN 53 CD -0.0094 -0.0105 -0.0021 819 GLN 53 OE1 -0.0107 -0.0109 -0.0027 820 GLN 53 NE2 -0.0085 -0.0114 -0.0009 821 GLN 53 H -0.0082 -0.0065 -0.0039 822 GLN 53 HA -0.0080 -0.0059 -0.0042 823 GLN 53 HB3 -0.0104 -0.0081 -0.0044 824 GLN 53 HB2 -0.0101 -0.0084 -0.0039 825 GLN 53 HG3 -0.0077 -0.0087 -0.0021 826 GLN 53 HG2 -0.0080 -0.0084 -0.0025 827 GLN 53 HE22 -0.0090 -0.0125 -0.0005 828 GLN 53 HE21 -0.0074 -0.0110 -0.0005 829 LYS 54 N -0.0100 -0.0047 -0.0062 830 LYS 54 CA -0.0109 -0.0037 -0.0075 831 LYS 54 C -0.0124 -0.0045 -0.0080 832 LYS 54 O -0.0136 -0.0045 -0.0088 833 LYS 54 CB -0.0101 -0.0024 -0.0079 834 LYS 54 CG -0.0110 -0.0014 -0.0091 835 LYS 54 CD -0.0100 -0.0001 -0.0093 836 LYS 54 CE -0.0108 0.0011 -0.0106 837 LYS 54 NZ -0.0100 0.0022 -0.0108 838 LYS 54 H -0.0096 -0.0050 -0.0058 839 LYS 54 HA -0.0111 -0.0034 -0.0078 840 LYS 54 HB3 -0.0096 -0.0027 -0.0073 841 LYS 54 HB2 -0.0091 -0.0017 -0.0077 842 LYS 54 HG3 -0.0114 -0.0009 -0.0097 843 LYS 54 HG2 -0.0119 -0.0020 -0.0093 844 LYS 54 HD3 -0.0098 -0.0005 -0.0089 845 LYS 54 HD2 -0.0090 0.0004 -0.0089 846 LYS 54 HE3 -0.0107 0.0018 -0.0110 847 LYS 54 HE2 -0.0119 0.0006 -0.0110 848 LYS 54 HZ1 -0.0089 0.0024 -0.0102 849 LYS 54 HZ2 -0.0103 0.0017 -0.0107 850 LYS 54 HZ3 -0.0103 0.0031 -0.0116 851 TYR 55 N -0.0049 0.0008 0.0008 852 TYR 55 CA -0.0050 0.0007 0.0006 853 TYR 55 C -0.0043 0.0007 -0.0001 854 TYR 55 O -0.0042 0.0006 -0.0008 855 TYR 55 CB -0.0059 0.0003 0.0004 856 TYR 55 CG -0.0066 0.0003 0.0013 857 TYR 55 CD1 -0.0064 0.0006 0.0021 858 TYR 55 CD2 -0.0074 0.0000 0.0012 859 TYR 55 CE1 -0.0070 0.0006 0.0029 860 TYR 55 CE2 -0.0080 0.0000 0.0019 861 TYR 55 CZ -0.0078 0.0003 0.0028 862 TYR 55 OH -0.0084 0.0003 0.0035 863 TYR 55 H -0.0052 0.0006 0.0003 864 TYR 55 HA -0.0048 0.0009 0.0013 865 TYR 55 HB3 -0.0060 0.0003 0.0002 866 TYR 55 HB2 -0.0061 0.0001 -0.0001 867 TYR 55 HD1 -0.0058 0.0008 0.0022 868 TYR 55 HD2 -0.0076 -0.0002 0.0005 869 TYR 55 HE1 -0.0069 0.0008 0.0035 870 TYR 55 HE2 -0.0086 -0.0002 0.0018 871 TYR 55 HH -0.0083 0.0004 0.0040 872 PRO 56 N -0.0039 0.0009 0.0000 873 PRO 56 CA -0.0032 0.0010 -0.0006 874 PRO 56 C -0.0036 0.0006 -0.0015 875 PRO 56 O -0.0031 0.0006 -0.0022 876 PRO 56 CB -0.0029 0.0012 -0.0001 877 PRO 56 CG -0.0037 0.0011 0.0005 878 PRO 56 CD -0.0041 0.0011 0.0008 879 PRO 56 HA -0.0027 0.0011 -0.0008 880 PRO 56 HB3 -0.0023 0.0015 0.0002 881 PRO 56 HB2 -0.0028 0.0011 -0.0006 882 PRO 56 HG3 -0.0034 0.0014 0.0011 883 PRO 56 HG2 -0.0042 0.0009 0.0002 884 PRO 56 HD2 -0.0048 0.0009 0.0010 885 PRO 56 HD3 -0.0037 0.0013 0.0014 886 HIS 57 N -0.0032 -0.0053 0.0032 887 HIS 57 CA -0.0033 -0.0054 0.0031 888 HIS 57 C -0.0034 -0.0053 0.0027 889 HIS 57 O -0.0034 -0.0051 0.0025 890 HIS 57 CB -0.0034 -0.0057 0.0033 891 HIS 57 CG -0.0035 -0.0058 0.0031 892 HIS 57 ND1 -0.0037 -0.0059 0.0028 893 HIS 57 CD2 -0.0034 -0.0057 0.0033 894 HIS 57 CE1 -0.0037 -0.0059 0.0028 895 HIS 57 NE2 -0.0035 -0.0058 0.0031 896 HIS 57 H -0.0033 -0.0056 0.0034 897 HIS 57 HA -0.0031 -0.0052 0.0032 898 HIS 57 HB3 -0.0036 -0.0060 0.0032 899 HIS 57 HB2 -0.0033 -0.0058 0.0036 900 HIS 57 HD2 -0.0032 -0.0056 0.0036 901 HIS 57 HE1 -0.0038 -0.0060 0.0025 902 HIS 57 HE2 -0.0035 -0.0058 0.0032 903 THR 58 N -0.0036 -0.0054 0.0025 904 THR 58 CA -0.0037 -0.0054 0.0021 905 THR 58 C -0.0036 -0.0050 0.0019 906 THR 58 O -0.0036 -0.0049 0.0016 907 THR 58 CB -0.0038 -0.0056 0.0019 908 THR 58 OG1 -0.0040 -0.0059 0.0021 909 THR 58 CG2 -0.0040 -0.0055 0.0015 910 THR 58 H -0.0036 -0.0056 0.0026 911 THR 58 HA -0.0038 -0.0055 0.0020 912 THR 58 HB -0.0037 -0.0054 0.0020 913 THR 58 HG1 -0.0041 -0.0061 0.0019 914 THR 58 HG21 -0.0041 -0.0057 0.0014 915 THR 58 HG22 -0.0039 -0.0052 0.0014 916 THR 58 HG23 -0.0041 -0.0057 0.0014 917 HIS 59 N -0.0011 -0.0078 0.0038 918 HIS 59 CA -0.0009 -0.0070 0.0036 919 HIS 59 C -0.0006 -0.0066 0.0037 920 HIS 59 O -0.0006 -0.0061 0.0033 921 HIS 59 CB -0.0006 -0.0067 0.0039 922 HIS 59 CG -0.0004 -0.0059 0.0037 923 HIS 59 ND1 0.0000 -0.0054 0.0041 924 HIS 59 CD2 -0.0006 -0.0056 0.0030 925 HIS 59 CE1 0.0001 -0.0047 0.0036 926 HIS 59 NE2 -0.0003 -0.0049 0.0030 927 HIS 59 H -0.0010 -0.0081 0.0042 928 HIS 59 HA -0.0012 -0.0069 0.0030 929 HIS 59 HB3 -0.0004 -0.0069 0.0045 930 HIS 59 HB2 -0.0008 -0.0070 0.0038 931 HIS 59 HD2 -0.0009 -0.0059 0.0026 932 HIS 59 HE1 0.0004 -0.0042 0.0038 933 HIS 59 HE2 -0.0004 -0.0045 0.0025 934 LEU 60 N -0.0004 -0.0068 0.0043 935 LEU 60 CA -0.0002 -0.0065 0.0046 936 LEU 60 C -0.0004 -0.0066 0.0041 937 LEU 60 O -0.0003 -0.0060 0.0040 938 LEU 60 CB 0.0001 -0.0068 0.0054 939 LEU 60 CG 0.0004 -0.0066 0.0059 940 LEU 60 CD1 0.0006 -0.0070 0.0066 941 LEU 60 CD2 0.0008 -0.0057 0.0059 942 LEU 60 H -0.0005 -0.0073 0.0047 943 LEU 60 HA 0.0000 -0.0059 0.0045 944 LEU 60 HB3 0.0003 -0.0065 0.0055 945 LEU 60 HB2 -0.0001 -0.0074 0.0054 946 LEU 60 HG 0.0003 -0.0067 0.0056 947 LEU 60 HD11 0.0009 -0.0069 0.0069 948 LEU 60 HD12 0.0004 -0.0076 0.0066 949 LEU 60 HD13 0.0008 -0.0069 0.0068 950 LEU 60 HD21 0.0010 -0.0056 0.0062 951 LEU 60 HD22 0.0010 -0.0056 0.0061 952 LEU 60 HD23 0.0007 -0.0054 0.0054 953 VAL 61 N -0.0016 -0.0120 0.0049 954 VAL 61 CA -0.0015 -0.0125 0.0046 955 VAL 61 C -0.0014 -0.0122 0.0039 956 VAL 61 O -0.0014 -0.0123 0.0039 957 VAL 61 CB -0.0014 -0.0134 0.0044 958 VAL 61 CG1 -0.0013 -0.0139 0.0040 959 VAL 61 CG2 -0.0015 -0.0138 0.0051 960 VAL 61 H -0.0016 -0.0121 0.0048 961 VAL 61 HA -0.0016 -0.0126 0.0051 962 VAL 61 HB -0.0014 -0.0132 0.0040 963 VAL 61 HG11 -0.0013 -0.0145 0.0038 964 VAL 61 HG12 -0.0013 -0.0136 0.0034 965 VAL 61 HG13 -0.0014 -0.0140 0.0044 966 VAL 61 HG21 -0.0015 -0.0144 0.0049 967 VAL 61 HG22 -0.0016 -0.0139 0.0055 968 VAL 61 HG23 -0.0016 -0.0134 0.0054 969 GLN 62 N -0.0014 -0.0118 0.0033 970 GLN 62 CA -0.0013 -0.0114 0.0026 971 GLN 62 C -0.0013 -0.0108 0.0029 972 GLN 62 O -0.0013 -0.0108 0.0025 973 GLN 62 CB -0.0012 -0.0110 0.0021 974 GLN 62 CG -0.0011 -0.0116 0.0016 975 GLN 62 CD -0.0010 -0.0112 0.0012 976 GLN 62 OE1 -0.0011 -0.0108 0.0015 977 GLN 62 NE2 -0.0009 -0.0112 0.0004 978 GLN 62 H -0.0014 -0.0117 0.0034 979 GLN 62 HA -0.0012 -0.0119 0.0023 980 GLN 62 HB3 -0.0012 -0.0106 0.0017 981 GLN 62 HB2 -0.0013 -0.0106 0.0025 982 GLN 62 HG3 -0.0011 -0.0121 0.0020 983 GLN 62 HG2 -0.0010 -0.0119 0.0012 984 GLN 62 HE22 -0.0009 -0.0109 0.0000 985 GLN 62 HE21 -0.0008 -0.0115 0.0001 986 GLN 63 N 0.0028 -0.0095 0.0015 987 GLN 63 CA 0.0029 -0.0087 0.0017 988 GLN 63 C 0.0023 -0.0101 0.0020 989 GLN 63 O 0.0027 -0.0102 0.0012 990 GLN 63 CB 0.0026 -0.0071 0.0033 991 GLN 63 CG 0.0033 -0.0053 0.0029 992 GLN 63 CD 0.0032 -0.0036 0.0041 993 GLN 63 OE1 0.0023 -0.0034 0.0057 994 GLN 63 NE2 0.0040 -0.0023 0.0034 995 GLN 63 H 0.0023 -0.0092 0.0025 996 GLN 63 HA 0.0038 -0.0081 0.0006 997 GLN 63 HB3 0.0024 -0.0068 0.0036 998 GLN 63 HB2 0.0018 -0.0075 0.0044 999 GLN 63 HG3 0.0032 -0.0054 0.0031 1000 GLN 63 HG2 0.0041 -0.0051 0.0016 1001 GLN 63 HE22 0.0040 -0.0011 0.0041 1002 GLN 63 HE21 0.0047 -0.0025 0.0021 1003 ALA 64 N 0.0013 -0.0113 0.0032 1004 ALA 64 CA 0.0006 -0.0127 0.0036 1005 ALA 64 C 0.0011 -0.0142 0.0020 1006 ALA 64 O 0.0010 -0.0150 0.0017 1007 ALA 64 CB -0.0005 -0.0136 0.0051 1008 ALA 64 H 0.0010 -0.0111 0.0038 1009 ALA 64 HA 0.0007 -0.0120 0.0039 1010 ALA 64 HB1 -0.0010 -0.0147 0.0054 1011 ALA 64 HB2 -0.0008 -0.0125 0.0062 1012 ALA 64 HB3 -0.0005 -0.0143 0.0048 1013 ASN 65 N 0.0050 -0.0206 0.0045 1014 ASN 65 CA 0.0039 -0.0195 0.0048 1015 ASN 65 C 0.0028 -0.0184 0.0025 1016 ASN 65 O 0.0031 -0.0185 0.0015 1017 ASN 65 CB 0.0050 -0.0207 0.0054 1018 ASN 65 CG 0.0039 -0.0197 0.0063 1019 ASN 65 OD1 0.0048 -0.0205 0.0066 1020 ASN 65 ND2 0.0023 -0.0182 0.0067 1021 ASN 65 H 0.0050 -0.0207 0.0059 1022 ASN 65 HA 0.0029 -0.0188 0.0063 1023 ASN 65 HB3 0.0058 -0.0213 0.0039 1024 ASN 65 HB2 0.0059 -0.0216 0.0068 1025 ASN 65 HD22 0.0016 -0.0176 0.0072 1026 ASN 65 HD21 0.0017 -0.0176 0.0064 1027 PRO 66 N 0.0017 -0.0173 0.0018 1028 PRO 66 CA 0.0008 -0.0162 -0.0003 1029 PRO 66 C -0.0007 -0.0148 0.0001 1030 PRO 66 O -0.0012 -0.0145 0.0022 1031 PRO 66 CB 0.0001 -0.0155 -0.0009 1032 PRO 66 CG -0.0001 -0.0155 0.0015 1033 PRO 66 CD 0.0013 -0.0170 0.0030 1034 PRO 66 HA 0.0017 -0.0169 -0.0018 1035 PRO 66 HB3 0.0011 -0.0164 -0.0020 1036 PRO 66 HB2 -0.0012 -0.0143 -0.0017 1037 PRO 66 HG3 0.0000 -0.0156 0.0013 1038 PRO 66 HG2 -0.0014 -0.0143 0.0023 1039 PRO 66 HD2 0.0008 -0.0166 0.0048 1040 PRO 66 HD3 0.0024 -0.0180 0.0028 1041 ARG 67 N 0.0012 -0.0008 -0.0056 1042 ARG 67 CA -0.0054 0.0009 -0.0084 1043 ARG 67 C -0.0114 -0.0015 -0.0046 1044 ARG 67 O -0.0114 -0.0029 -0.0023 1045 ARG 67 CB -0.0055 0.0044 -0.0142 1046 ARG 67 CG -0.0126 0.0058 -0.0166 1047 ARG 67 CD -0.0163 0.0072 -0.0189 1048 ARG 67 NE -0.0116 0.0081 -0.0204 1049 ARG 67 CZ -0.0136 0.0086 -0.0213 1050 ARG 67 NH1 -0.0201 0.0084 -0.0211 1051 ARG 67 NH2 -0.0090 0.0095 -0.0226 1052 ARG 67 H 0.0046 0.0003 -0.0074 1053 ARG 67 HA -0.0062 0.0015 -0.0095 1054 ARG 67 HB3 -0.0028 0.0040 -0.0136 1055 ARG 67 HB2 -0.0026 0.0064 -0.0174 1056 ARG 67 HG3 -0.0157 0.0037 -0.0133 1057 ARG 67 HG2 -0.0122 0.0079 -0.0201 1058 ARG 67 HD3 -0.0200 0.0052 -0.0157 1059 ARG 67 HD2 -0.0193 0.0095 -0.0228 1060 ARG 67 HE -0.0066 0.0083 -0.0206 1061 ARG 67 HH12 -0.0216 0.0088 -0.0218 1062 ARG 67 HH11 -0.0237 0.0078 -0.0201 1063 ARG 67 HH22 -0.0105 0.0099 -0.0234 1064 ARG 67 HH21 -0.0040 0.0097 -0.0229 1065 GLY 68 N -0.0163 -0.0020 -0.0038 1066 GLY 68 CA -0.0225 -0.0040 -0.0006 1067 GLY 68 C -0.0215 -0.0079 0.0059 1068 GLY 68 O -0.0260 -0.0101 0.0094 1069 GLY 68 H -0.0158 -0.0009 -0.0056 1070 GLY 68 HA3 -0.0239 -0.0036 -0.0013 1071 GLY 68 HA2 -0.0266 -0.0031 -0.0022 1072 SER 69 N -0.0068 -0.0103 0.0068 1073 SER 69 CA -0.0066 -0.0111 0.0076 1074 SER 69 C -0.0067 -0.0114 0.0095 1075 SER 69 O -0.0064 -0.0124 0.0099 1076 SER 69 CB -0.0057 -0.0125 0.0068 1077 SER 69 OG -0.0052 -0.0137 0.0071 1078 SER 69 H -0.0063 -0.0110 0.0062 1079 SER 69 HA -0.0069 -0.0103 0.0075 1080 SER 69 HB3 -0.0056 -0.0123 0.0055 1081 SER 69 HB2 -0.0056 -0.0130 0.0073 1082 SER 69 HG -0.0051 -0.0136 0.0063 1083 ALA 70 N -0.0073 -0.0107 0.0105 1084 ALA 70 CA -0.0075 -0.0109 0.0123 1085 ALA 70 C -0.0070 -0.0122 0.0129 1086 ALA 70 O -0.0067 -0.0127 0.0120 1087 ALA 70 CB -0.0084 -0.0095 0.0131 1088 ALA 70 H -0.0076 -0.0099 0.0101 1089 ALA 70 HA -0.0075 -0.0112 0.0126 1090 ALA 70 HB1 -0.0085 -0.0097 0.0145 1091 ALA 70 HB2 -0.0087 -0.0085 0.0127 1092 ALA 70 HB3 -0.0085 -0.0092 0.0129 1093 GLY 71 N -0.0064 -0.0192 -0.0006 1094 GLY 71 CA -0.0066 -0.0187 -0.0010 1095 GLY 71 C -0.0066 -0.0174 -0.0015 1096 GLY 71 O -0.0064 -0.0170 -0.0016 1097 GLY 71 H -0.0057 -0.0195 -0.0002 1098 GLY 71 HA3 -0.0060 -0.0188 -0.0006 1099 GLY 71 HA2 -0.0075 -0.0191 -0.0012 1100 PRO 72 N -0.0070 -0.0168 -0.0020 1101 PRO 72 CA -0.0070 -0.0156 -0.0025 1102 PRO 72 C -0.0058 -0.0150 -0.0022 1103 PRO 72 O -0.0050 -0.0153 -0.0017 1104 PRO 72 CB -0.0074 -0.0153 -0.0029 1105 PRO 72 CG -0.0079 -0.0164 -0.0026 1106 PRO 72 CD -0.0073 -0.0172 -0.0019 1107 PRO 72 HA -0.0075 -0.0155 -0.0028 1108 PRO 72 HB3 -0.0081 -0.0148 -0.0034 1109 PRO 72 HB2 -0.0067 -0.0148 -0.0027 1110 PRO 72 HG3 -0.0088 -0.0166 -0.0030 1111 PRO 72 HG2 -0.0078 -0.0163 -0.0026 1112 PRO 72 HD2 -0.0065 -0.0172 -0.0016 1113 PRO 72 HD3 -0.0078 -0.0180 -0.0019 1114 CYS 73 N -0.0073 -0.0078 -0.0010 1115 CYS 73 CA -0.0058 -0.0067 -0.0004 1116 CYS 73 C -0.0056 -0.0055 -0.0015 1117 CYS 73 O -0.0065 -0.0052 -0.0029 1118 CYS 73 CB -0.0049 -0.0059 -0.0002 1119 CYS 73 SG -0.0055 -0.0049 -0.0019 1120 CYS 73 H -0.0078 -0.0075 -0.0020 1121 CYS 73 HA -0.0053 -0.0073 0.0008 1122 CYS 73 HB3 -0.0049 -0.0067 0.0007 1123 CYS 73 HB2 -0.0037 -0.0051 0.0003 1124 CYS 74 N -0.0045 -0.0049 -0.0007 1125 CYS 74 CA -0.0042 -0.0037 -0.0016 1126 CYS 74 C -0.0035 -0.0022 -0.0024 1127 CYS 74 O -0.0023 -0.0016 -0.0016 1128 CYS 74 CB -0.0032 -0.0036 -0.0006 1129 CYS 74 SG -0.0029 -0.0022 -0.0017 1130 CYS 74 H -0.0038 -0.0053 0.0004 1131 CYS 74 HA -0.0052 -0.0040 -0.0026 1132 CYS 74 HB3 -0.0021 -0.0032 0.0003 1133 CYS 74 HB2 -0.0036 -0.0047 0.0001 1134 THR 75 N -0.0066 -0.0019 0.0008 1135 THR 75 CA -0.0066 -0.0006 0.0000 1136 THR 75 C -0.0070 0.0005 -0.0011 1137 THR 75 O -0.0076 0.0001 -0.0015 1138 THR 75 CB -0.0074 -0.0013 -0.0005 1139 THR 75 OG1 -0.0071 -0.0001 -0.0008 1140 THR 75 CG2 -0.0087 -0.0017 -0.0017 1141 THR 75 H -0.0072 -0.0022 0.0003 1142 THR 75 HA -0.0057 0.0000 0.0007 1143 THR 75 HB -0.0073 -0.0023 0.0002 1144 THR 75 HG1 -0.0072 -0.0007 -0.0006 1145 THR 75 HG21 -0.0093 -0.0022 -0.0021 1146 THR 75 HG22 -0.0089 -0.0026 -0.0015 1147 THR 75 HG23 -0.0089 -0.0007 -0.0025 1148 PRO 76 N -0.0067 0.0020 -0.0016 1149 PRO 76 CA -0.0070 0.0030 -0.0026 1150 PRO 76 C -0.0083 0.0025 -0.0039 1151 PRO 76 O -0.0089 0.0020 -0.0043 1152 PRO 76 CB -0.0065 0.0045 -0.0029 1153 PRO 76 CG -0.0054 0.0044 -0.0016 1154 PRO 76 CD -0.0058 0.0027 -0.0011 1155 PRO 76 HA -0.0067 0.0032 -0.0023 1156 PRO 76 HB3 -0.0062 0.0055 -0.0031 1157 PRO 76 HB2 -0.0071 0.0046 -0.0037 1158 PRO 76 HG3 -0.0047 0.0047 -0.0010 1159 PRO 76 HG2 -0.0053 0.0051 -0.0018 1160 PRO 76 HD2 -0.0063 0.0025 -0.0015 1161 PRO 76 HD3 -0.0051 0.0024 0.0000 1162 THR 77 N -0.0129 0.0018 -0.0053 1163 THR 77 CA -0.0175 0.0024 -0.0062 1164 THR 77 C -0.0183 0.0061 -0.0085 1165 THR 77 O -0.0219 0.0069 -0.0096 1166 THR 77 CB -0.0193 0.0022 -0.0064 1167 THR 77 OG1 -0.0168 0.0046 -0.0075 1168 THR 77 CG2 -0.0194 -0.0018 -0.0040 1169 THR 77 H -0.0110 0.0035 -0.0060 1170 THR 77 HA -0.0191 0.0002 -0.0051 1171 THR 77 HB -0.0226 0.0031 -0.0074 1172 THR 77 HG1 -0.0139 0.0039 -0.0066 1173 THR 77 HG21 -0.0207 -0.0018 -0.0042 1174 THR 77 HG22 -0.0213 -0.0036 -0.0032 1175 THR 77 HG23 -0.0161 -0.0026 -0.0031 1176 LYS 78 N -0.0148 0.0083 -0.0094 1177 LYS 78 CA -0.0150 0.0118 -0.0115 1178 LYS 78 C -0.0109 0.0126 -0.0114 1179 LYS 78 O -0.0074 0.0124 -0.0108 1180 LYS 78 CB -0.0158 0.0149 -0.0135 1181 LYS 78 CG -0.0166 0.0186 -0.0158 1182 LYS 78 CD -0.0172 0.0217 -0.0177 1183 LYS 78 CE -0.0176 0.0254 -0.0200 1184 LYS 78 NZ -0.0181 0.0284 -0.0218 1185 LYS 78 H -0.0119 0.0075 -0.0085 1186 LYS 78 HA -0.0177 0.0115 -0.0117 1187 LYS 78 HB3 -0.0130 0.0154 -0.0133 1188 LYS 78 HB2 -0.0185 0.0141 -0.0134 1189 LYS 78 HG3 -0.0194 0.0182 -0.0159 1190 LYS 78 HG2 -0.0139 0.0194 -0.0159 1191 LYS 78 HD3 -0.0145 0.0219 -0.0175 1192 LYS 78 HD2 -0.0201 0.0210 -0.0177 1193 LYS 78 HE3 -0.0203 0.0252 -0.0202 1194 LYS 78 HE2 -0.0147 0.0260 -0.0199 1195 LYS 78 HZ1 -0.0155 0.0286 -0.0216 1196 LYS 78 HZ2 -0.0183 0.0308 -0.0233 1197 LYS 78 HZ3 -0.0208 0.0278 -0.0219 1198 MET 79 N -0.0077 0.0077 -0.0036 1199 MET 79 CA -0.0064 0.0073 -0.0039 1200 MET 79 C -0.0065 0.0084 -0.0045 1201 MET 79 O -0.0078 0.0091 -0.0043 1202 MET 79 CB -0.0065 0.0058 -0.0030 1203 MET 79 CG -0.0064 0.0046 -0.0024 1204 MET 79 SD -0.0045 0.0040 -0.0028 1205 MET 79 CE -0.0037 0.0030 -0.0026 1206 MET 79 H -0.0088 0.0079 -0.0032 1207 MET 79 HA -0.0054 0.0073 -0.0043 1208 MET 79 HB3 -0.0055 0.0055 -0.0032 1209 MET 79 HB2 -0.0075 0.0059 -0.0026 1210 MET 79 HG3 -0.0069 0.0037 -0.0017 1211 MET 79 HG2 -0.0072 0.0050 -0.0023 1212 MET 79 HE1 -0.0025 0.0025 -0.0028 1213 MET 79 HE2 -0.0043 0.0021 -0.0019 1214 MET 79 HE3 -0.0037 0.0037 -0.0029 1215 SER 80 N -0.0052 0.0086 -0.0051 1216 SER 80 CA -0.0051 0.0095 -0.0056 1217 SER 80 C -0.0041 0.0086 -0.0055 1218 SER 80 O -0.0031 0.0076 -0.0054 1219 SER 80 CB -0.0044 0.0108 -0.0066 1220 SER 80 OG -0.0055 0.0119 -0.0068 1221 SER 80 H -0.0042 0.0081 -0.0052 1222 SER 80 HA -0.0062 0.0098 -0.0054 1223 SER 80 HB3 -0.0039 0.0112 -0.0070 1224 SER 80 HB2 -0.0034 0.0105 -0.0068 1225 SER 80 HG -0.0056 0.0117 -0.0066 1226 PRO 81 N -0.0097 -0.0022 0.0014 1227 PRO 81 CA -0.0092 -0.0024 0.0014 1228 PRO 81 C -0.0086 -0.0022 0.0009 1229 PRO 81 O -0.0087 -0.0019 0.0006 1230 PRO 81 CB -0.0094 -0.0023 0.0014 1231 PRO 81 CG -0.0099 -0.0019 0.0011 1232 PRO 81 CD -0.0102 -0.0019 0.0012 1233 PRO 81 HA -0.0090 -0.0028 0.0017 1234 PRO 81 HB3 -0.0096 -0.0026 0.0017 1235 PRO 81 HB2 -0.0091 -0.0023 0.0012 1236 PRO 81 HG3 -0.0103 -0.0019 0.0012 1237 PRO 81 HG2 -0.0097 -0.0016 0.0007 1238 PRO 81 HD2 -0.0103 -0.0016 0.0008 1239 PRO 81 HD3 -0.0106 -0.0020 0.0015 1240 ILE 82 N -0.0081 -0.0024 0.0010 1241 ILE 82 CA -0.0076 -0.0022 0.0005 1242 ILE 82 C -0.0074 -0.0022 0.0005 1243 ILE 82 O -0.0074 -0.0025 0.0008 1244 ILE 82 CB -0.0070 -0.0023 0.0005 1245 ILE 82 CG1 -0.0068 -0.0028 0.0010 1246 ILE 82 CG2 -0.0072 -0.0022 0.0005 1247 ILE 82 CD1 -0.0061 -0.0030 0.0009 1248 ILE 82 H -0.0080 -0.0027 0.0013 1249 ILE 82 HA -0.0078 -0.0018 0.0002 1250 ILE 82 HB -0.0067 -0.0022 0.0002 1251 ILE 82 HG13 -0.0067 -0.0029 0.0010 1252 ILE 82 HG12 -0.0071 -0.0030 0.0013 1253 ILE 82 HG21 -0.0068 -0.0024 0.0004 1254 ILE 82 HG22 -0.0074 -0.0019 0.0001 1255 ILE 82 HG23 -0.0076 -0.0024 0.0008 1256 ILE 82 HD11 -0.0059 -0.0034 0.0012 1257 ILE 82 HD12 -0.0058 -0.0028 0.0006 1258 ILE 82 HD13 -0.0061 -0.0029 0.0009 1259 ASN 83 N -0.0106 -0.0086 -0.0041 1260 ASN 83 CA -0.0092 -0.0080 -0.0048 1261 ASN 83 C -0.0075 -0.0077 -0.0038 1262 ASN 83 O -0.0072 -0.0077 -0.0034 1263 ASN 83 CB -0.0092 -0.0074 -0.0068 1264 ASN 83 CG -0.0109 -0.0077 -0.0079 1265 ASN 83 OD1 -0.0114 -0.0078 -0.0079 1266 ASN 83 ND2 -0.0119 -0.0077 -0.0088 1267 ASN 83 H -0.0111 -0.0086 -0.0047 1268 ASN 83 HA -0.0094 -0.0081 -0.0046 1269 ASN 83 HB3 -0.0081 -0.0069 -0.0074 1270 ASN 83 HB2 -0.0090 -0.0073 -0.0071 1271 ASN 83 HD22 -0.0130 -0.0079 -0.0095 1272 ASN 83 HD21 -0.0114 -0.0076 -0.0087 1273 MET 84 N -0.0063 -0.0075 -0.0034 1274 MET 84 CA -0.0046 -0.0072 -0.0023 1275 MET 84 C -0.0031 -0.0065 -0.0031 1276 MET 84 O -0.0033 -0.0064 -0.0039 1277 MET 84 CB -0.0047 -0.0078 -0.0004 1278 MET 84 CG -0.0061 -0.0085 0.0006 1279 MET 84 SD -0.0061 -0.0092 0.0030 1280 MET 84 CE -0.0042 -0.0088 0.0038 1281 MET 84 H -0.0066 -0.0075 -0.0037 1282 MET 84 HA -0.0044 -0.0071 -0.0024 1283 MET 84 HB3 -0.0034 -0.0076 0.0004 1284 MET 84 HB2 -0.0049 -0.0079 -0.0003 1285 MET 84 HG3 -0.0074 -0.0087 -0.0001 1286 MET 84 HG2 -0.0060 -0.0084 0.0004 1287 MET 84 HE1 -0.0040 -0.0092 0.0053 1288 MET 84 HE2 -0.0030 -0.0083 0.0032 1289 MET 84 HE3 -0.0045 -0.0088 0.0035 1290 LEU 85 N -0.0030 -0.0062 -0.0053 1291 LEU 85 CA -0.0018 -0.0037 -0.0061 1292 LEU 85 C -0.0001 -0.0043 -0.0038 1293 LEU 85 O 0.0013 -0.0049 -0.0016 1294 LEU 85 CB -0.0003 -0.0012 -0.0068 1295 LEU 85 CG 0.0005 0.0015 -0.0084 1296 LEU 85 CD1 -0.0018 0.0018 -0.0112 1297 LEU 85 CD2 0.0023 0.0038 -0.0086 1298 LEU 85 H -0.0020 -0.0066 -0.0037 1299 LEU 85 HA -0.0031 -0.0035 -0.0078 1300 LEU 85 HB3 0.0014 -0.0012 -0.0050 1301 LEU 85 HB2 -0.0013 -0.0015 -0.0077 1302 LEU 85 HG 0.0014 0.0017 -0.0075 1303 LEU 85 HD11 -0.0012 0.0038 -0.0124 1304 LEU 85 HD12 -0.0030 0.0002 -0.0111 1305 LEU 85 HD13 -0.0028 0.0016 -0.0121 1306 LEU 85 HD21 0.0028 0.0057 -0.0098 1307 LEU 85 HD22 0.0014 0.0036 -0.0094 1308 LEU 85 HD23 0.0039 0.0036 -0.0066 1309 TYR 86 N -0.0005 -0.0041 -0.0044 1310 TYR 86 CA 0.0008 -0.0049 -0.0023 1311 TYR 86 C 0.0012 -0.0034 -0.0032 1312 TYR 86 O 0.0000 -0.0022 -0.0056 1313 TYR 86 CB -0.0008 -0.0080 -0.0011 1314 TYR 86 CG -0.0033 -0.0089 -0.0031 1315 TYR 86 CD1 -0.0053 -0.0095 -0.0047 1316 TYR 86 CD2 -0.0038 -0.0091 -0.0034 1317 TYR 86 CE1 -0.0077 -0.0103 -0.0065 1318 TYR 86 CE2 -0.0061 -0.0099 -0.0053 1319 TYR 86 CZ -0.0080 -0.0105 -0.0068 1320 TYR 86 OH -0.0104 -0.0113 -0.0086 1321 TYR 86 H -0.0015 -0.0033 -0.0062 1322 TYR 86 HA 0.0026 -0.0044 -0.0007 1323 TYR 86 HB3 -0.0009 -0.0090 -0.0003 1324 TYR 86 HB2 0.0002 -0.0086 0.0005 1325 TYR 86 HD1 -0.0051 -0.0094 -0.0045 1326 TYR 86 HD2 -0.0023 -0.0086 -0.0022 1327 TYR 86 HE1 -0.0092 -0.0108 -0.0077 1328 TYR 86 HE2 -0.0064 -0.0100 -0.0055 1329 TYR 86 HH -0.0115 -0.0117 -0.0095 1330 PHE 87 N 0.0035 0.0003 -0.0046 1331 PHE 87 CA 0.0026 0.0009 -0.0053 1332 PHE 87 C 0.0013 -0.0011 -0.0061 1333 PHE 87 O 0.0018 -0.0030 -0.0055 1334 PHE 87 CB 0.0040 0.0013 -0.0043 1335 PHE 87 CG 0.0051 0.0035 -0.0036 1336 PHE 87 CD1 0.0044 0.0056 -0.0043 1337 PHE 87 CD2 0.0068 0.0035 -0.0023 1338 PHE 87 CE1 0.0054 0.0076 -0.0037 1339 PHE 87 CE2 0.0079 0.0055 -0.0017 1340 PHE 87 CZ 0.0072 0.0075 -0.0024 1341 PHE 87 H 0.0047 -0.0005 -0.0036 1342 PHE 87 HA 0.0018 0.0024 -0.0060 1343 PHE 87 HB3 0.0033 0.0014 -0.0048 1344 PHE 87 HB2 0.0049 -0.0001 -0.0035 1345 PHE 87 HD1 0.0030 0.0056 -0.0054 1346 PHE 87 HD2 0.0074 0.0019 -0.0017 1347 PHE 87 HE1 0.0049 0.0092 -0.0043 1348 PHE 87 HE2 0.0093 0.0055 -0.0006 1349 PHE 87 HZ 0.0080 0.0091 -0.0019 1350 ASN 88 N -0.0004 -0.0006 -0.0075 1351 ASN 88 CA -0.0017 -0.0023 -0.0083 1352 ASN 88 C -0.0015 -0.0025 -0.0082 1353 ASN 88 O -0.0004 -0.0014 -0.0073 1354 ASN 88 CB -0.0036 -0.0019 -0.0098 1355 ASN 88 CG -0.0043 0.0003 -0.0105 1356 ASN 88 OD1 -0.0034 0.0014 -0.0099 1357 ASN 88 ND2 -0.0058 0.0010 -0.0117 1358 ASN 88 H -0.0008 0.0010 -0.0079 1359 ASN 88 HA -0.0014 -0.0040 -0.0079 1360 ASN 88 HB3 -0.0037 -0.0018 -0.0099 1361 ASN 88 HB2 -0.0046 -0.0033 -0.0104 1362 ASN 88 HD22 -0.0063 0.0024 -0.0122 1363 ASN 88 HD21 -0.0065 0.0000 -0.0122 1364 ASP 89 N 0.0042 0.0245 -0.0237 1365 ASP 89 CA 0.0005 0.0188 -0.0269 1366 ASP 89 C -0.0047 0.0054 -0.0234 1367 ASP 89 O -0.0098 -0.0009 -0.0297 1368 ASP 89 CB 0.0050 0.0240 -0.0208 1369 ASP 89 CG 0.0091 0.0232 -0.0068 1370 ASP 89 OD1 0.0103 0.0226 -0.0022 1371 ASP 89 OD2 0.0112 0.0232 -0.0004 1372 ASP 89 H 0.0091 0.0312 -0.0186 1373 ASP 89 HA -0.0019 0.0207 -0.0369 1374 ASP 89 HB3 0.0081 0.0332 -0.0246 1375 ASP 89 HB2 0.0021 0.0196 -0.0230 1376 LYS 90 N -0.0034 0.0012 -0.0133 1377 LYS 90 CA -0.0081 -0.0114 -0.0094 1378 LYS 90 C -0.0127 -0.0168 -0.0156 1379 LYS 90 O -0.0166 -0.0272 -0.0125 1380 LYS 90 CB -0.0048 -0.0140 0.0046 1381 LYS 90 CG -0.0007 -0.0103 0.0120 1382 LYS 90 CD 0.0045 -0.0079 0.0246 1383 LYS 90 CE 0.0076 -0.0076 0.0336 1384 LYS 90 NZ 0.0108 -0.0096 0.0464 1385 LYS 90 H 0.0008 0.0067 -0.0082 1386 LYS 90 HA -0.0110 -0.0156 -0.0120 1387 LYS 90 HB3 -0.0084 -0.0233 0.0072 1388 LYS 90 HB2 -0.0019 -0.0098 0.0074 1389 LYS 90 HG3 0.0015 -0.0024 0.0071 1390 LYS 90 HG2 -0.0037 -0.0173 0.0131 1391 LYS 90 HD3 0.0025 -0.0147 0.0282 1392 LYS 90 HD2 0.0082 0.0004 0.0237 1393 LYS 90 HE3 0.0111 0.0009 0.0319 1394 LYS 90 HE2 0.0039 -0.0145 0.0322 1395 LYS 90 HZ1 0.0076 -0.0175 0.0480 1396 LYS 90 HZ2 0.0128 -0.0094 0.0524 1397 LYS 90 HZ3 0.0142 -0.0033 0.0477 1398 GLN 91 N -0.0065 0.0006 -0.0144 1399 GLN 91 CA -0.0078 -0.0005 -0.0151 1400 GLN 91 C -0.0074 -0.0019 -0.0135 1401 GLN 91 O -0.0085 -0.0035 -0.0136 1402 GLN 91 CB -0.0096 -0.0017 -0.0162 1403 GLN 91 CG -0.0102 -0.0004 -0.0179 1404 GLN 91 CD -0.0102 0.0014 -0.0194 1405 GLN 91 OE1 -0.0105 0.0012 -0.0196 1406 GLN 91 NE2 -0.0099 0.0031 -0.0204 1407 GLN 91 H -0.0058 0.0022 -0.0149 1408 GLN 91 HA -0.0078 0.0007 -0.0161 1409 GLN 91 HB3 -0.0106 -0.0025 -0.0168 1410 GLN 91 HB2 -0.0096 -0.0030 -0.0153 1411 GLN 91 HG3 -0.0114 -0.0014 -0.0186 1412 GLN 91 HG2 -0.0092 0.0003 -0.0174 1413 GLN 91 HE22 -0.0099 0.0044 -0.0214 1414 GLN 91 HE21 -0.0096 0.0032 -0.0202 1415 GLN 92 N -0.0057 -0.0013 -0.0120 1416 GLN 92 CA -0.0051 -0.0024 -0.0104 1417 GLN 92 C -0.0050 -0.0016 -0.0110 1418 GLN 92 O -0.0047 0.0003 -0.0120 1419 GLN 92 CB -0.0033 -0.0022 -0.0085 1420 GLN 92 CG -0.0033 -0.0031 -0.0078 1421 GLN 92 CD -0.0015 -0.0025 -0.0061 1422 GLN 92 OE1 -0.0003 -0.0007 -0.0062 1423 GLN 92 NE2 -0.0013 -0.0039 -0.0047 1424 GLN 92 H -0.0048 -0.0001 -0.0119 1425 GLN 92 HA -0.0061 -0.0041 -0.0102 1426 GLN 92 HB3 -0.0029 -0.0029 -0.0074 1427 GLN 92 HB2 -0.0024 -0.0005 -0.0087 1428 GLN 92 HG3 -0.0040 -0.0026 -0.0090 1429 GLN 92 HG2 -0.0041 -0.0048 -0.0073 1430 GLN 92 HE22 -0.0001 -0.0036 -0.0036 1431 GLN 92 HE21 -0.0023 -0.0054 -0.0048 1432 ILE 93 N 0.0004 0.0085 -0.0125 1433 ILE 93 CA 0.0003 0.0081 -0.0123 1434 ILE 93 C -0.0030 0.0069 -0.0140 1435 ILE 93 O -0.0046 0.0086 -0.0162 1436 ILE 93 CB 0.0020 0.0112 -0.0130 1437 ILE 93 CG1 0.0053 0.0123 -0.0113 1438 ILE 93 CG2 0.0018 0.0107 -0.0128 1439 ILE 93 CD1 0.0069 0.0157 -0.0122 1440 ILE 93 H 0.0009 0.0107 -0.0135 1441 ILE 93 HA 0.0014 0.0063 -0.0104 1442 ILE 93 HB 0.0010 0.0130 -0.0149 1443 ILE 93 HG13 0.0054 0.0122 -0.0111 1444 ILE 93 HG12 0.0064 0.0108 -0.0094 1445 ILE 93 HG21 0.0030 0.0129 -0.0134 1446 ILE 93 HG22 -0.0006 0.0099 -0.0141 1447 ILE 93 HG23 0.0028 0.0089 -0.0110 1448 ILE 93 HD11 0.0093 0.0163 -0.0109 1449 ILE 93 HD12 0.0058 0.0173 -0.0140 1450 ILE 93 HD13 0.0069 0.0158 -0.0124 1451 ILE 94 N -0.0039 0.0040 -0.0128 1452 ILE 94 CA -0.0070 0.0026 -0.0142 1453 ILE 94 C -0.0073 0.0017 -0.0139 1454 ILE 94 O -0.0057 0.0003 -0.0118 1455 ILE 94 CB -0.0086 -0.0004 -0.0135 1456 ILE 94 CG1 -0.0084 0.0003 -0.0138 1457 ILE 94 CG2 -0.0119 -0.0020 -0.0149 1458 ILE 94 CD1 -0.0101 0.0026 -0.0165 1459 ILE 94 H -0.0025 0.0028 -0.0110 1460 ILE 94 HA -0.0082 0.0043 -0.0162 1461 ILE 94 HB -0.0074 -0.0021 -0.0115 1462 ILE 94 HG13 -0.0093 -0.0019 -0.0131 1463 ILE 94 HG12 -0.0061 0.0013 -0.0127 1464 ILE 94 HG21 -0.0129 -0.0041 -0.0143 1465 ILE 94 HG22 -0.0119 -0.0026 -0.0145 1466 ILE 94 HG23 -0.0131 -0.0003 -0.0169 1467 ILE 94 HD11 -0.0099 0.0030 -0.0166 1468 ILE 94 HD12 -0.0124 0.0016 -0.0176 1469 ILE 94 HD13 -0.0091 0.0048 -0.0172 1470 TYR 95 N -0.0048 -0.0005 -0.0104 1471 TYR 95 CA -0.0059 -0.0016 -0.0103 1472 TYR 95 C -0.0074 -0.0031 -0.0106 1473 TYR 95 O -0.0080 -0.0029 -0.0118 1474 TYR 95 CB -0.0061 -0.0008 -0.0119 1475 TYR 95 CG -0.0074 -0.0020 -0.0122 1476 TYR 95 CD1 -0.0071 -0.0024 -0.0111 1477 TYR 95 CD2 -0.0089 -0.0027 -0.0135 1478 TYR 95 CE1 -0.0082 -0.0034 -0.0114 1479 TYR 95 CE2 -0.0100 -0.0038 -0.0138 1480 TYR 95 CZ -0.0097 -0.0041 -0.0127 1481 TYR 95 OH -0.0108 -0.0052 -0.0130 1482 TYR 95 H -0.0049 0.0003 -0.0116 1483 TYR 95 HA -0.0054 -0.0020 -0.0089 1484 TYR 95 HB3 -0.0063 -0.0002 -0.0132 1485 TYR 95 HB2 -0.0050 0.0002 -0.0116 1486 TYR 95 HD1 -0.0059 -0.0018 -0.0101 1487 TYR 95 HD2 -0.0091 -0.0024 -0.0144 1488 TYR 95 HE1 -0.0080 -0.0037 -0.0106 1489 TYR 95 HE2 -0.0112 -0.0043 -0.0149 1490 TYR 95 HH -0.0118 -0.0056 -0.0140 1491 GLY 96 N -0.0081 -0.0045 -0.0095 1492 GLY 96 CA -0.0096 -0.0060 -0.0097 1493 GLY 96 C -0.0105 -0.0075 -0.0089 1494 GLY 96 O -0.0098 -0.0077 -0.0076 1495 GLY 96 H -0.0075 -0.0046 -0.0085 1496 GLY 96 HA3 -0.0094 -0.0063 -0.0090 1497 GLY 96 HA2 -0.0103 -0.0058 -0.0112 1498 LYS 97 N -0.0082 -0.0047 -0.0023 1499 LYS 97 CA -0.0095 -0.0041 -0.0023 1500 LYS 97 C -0.0098 -0.0044 -0.0007 1501 LYS 97 O -0.0100 -0.0045 0.0004 1502 LYS 97 CB -0.0107 -0.0034 -0.0027 1503 LYS 97 CG -0.0121 -0.0028 -0.0030 1504 LYS 97 CD -0.0132 -0.0021 -0.0035 1505 LYS 97 CE -0.0133 -0.0017 -0.0052 1506 LYS 97 NZ -0.0119 -0.0021 -0.0061 1507 LYS 97 H -0.0083 -0.0047 -0.0020 1508 LYS 97 HA -0.0093 -0.0040 -0.0032 1509 LYS 97 HB3 -0.0110 -0.0035 -0.0018 1510 LYS 97 HB2 -0.0104 -0.0034 -0.0037 1511 LYS 97 HG3 -0.0118 -0.0027 -0.0038 1512 LYS 97 HG2 -0.0125 -0.0028 -0.0019 1513 LYS 97 HD3 -0.0142 -0.0018 -0.0029 1514 LYS 97 HD2 -0.0129 -0.0023 -0.0032 1515 LYS 97 HE3 -0.0136 -0.0014 -0.0055 1516 LYS 97 HE2 -0.0141 -0.0012 -0.0056 1517 LYS 97 HZ1 -0.0112 -0.0024 -0.0061 1518 LYS 97 HZ2 -0.0115 -0.0024 -0.0057 1519 LYS 97 HZ3 -0.0121 -0.0017 -0.0072 1520 ILE 98 N -0.0097 -0.0044 -0.0007 1521 ILE 98 CA -0.0099 -0.0047 0.0008 1522 ILE 98 C -0.0113 -0.0041 0.0011 1523 ILE 98 O -0.0117 -0.0038 0.0004 1524 ILE 98 CB -0.0087 -0.0052 0.0008 1525 ILE 98 CG1 -0.0072 -0.0058 0.0003 1526 ILE 98 CG2 -0.0088 -0.0055 0.0023 1527 ILE 98 CD1 -0.0067 -0.0063 0.0013 1528 ILE 98 H -0.0096 -0.0042 -0.0016 1529 ILE 98 HA -0.0097 -0.0050 0.0017 1530 ILE 98 HB -0.0090 -0.0049 -0.0000 1531 ILE 98 HG13 -0.0065 -0.0061 0.0002 1532 ILE 98 HG12 -0.0072 -0.0055 -0.0009 1533 ILE 98 HG21 -0.0080 -0.0059 0.0024 1534 ILE 98 HG22 -0.0099 -0.0051 0.0026 1535 ILE 98 HG23 -0.0086 -0.0058 0.0032 1536 ILE 98 HD11 -0.0057 -0.0066 0.0009 1537 ILE 98 HD12 -0.0067 -0.0065 0.0024 1538 ILE 98 HD13 -0.0074 -0.0059 0.0013 1539 PRO 99 N -0.0067 0.0009 0.0029 1540 PRO 99 CA -0.0059 0.0018 0.0027 1541 PRO 99 C -0.0052 0.0015 0.0013 1542 PRO 99 O -0.0055 0.0004 0.0006 1543 PRO 99 CB -0.0065 0.0017 0.0034 1544 PRO 99 CG -0.0076 0.0011 0.0044 1545 PRO 99 CD -0.0078 0.0003 0.0037 1546 PRO 99 HA -0.0054 0.0027 0.0031 1547 PRO 99 HB3 -0.0061 0.0026 0.0040 1548 PRO 99 HB2 -0.0065 0.0011 0.0028 1549 PRO 99 HG3 -0.0076 0.0018 0.0052 1550 PRO 99 HG2 -0.0081 0.0006 0.0045 1551 PRO 99 HD2 -0.0080 -0.0006 0.0031 1552 PRO 99 HD3 -0.0083 0.0003 0.0044 1553 GLY 100 N -0.0042 0.0024 0.0010 1554 GLY 100 CA -0.0035 0.0022 -0.0003 1555 GLY 100 C -0.0031 0.0017 -0.0013 1556 GLY 100 O -0.0030 0.0009 -0.0024 1557 GLY 100 H -0.0039 0.0032 0.0016 1558 GLY 100 HA3 -0.0038 0.0016 -0.0004 1559 GLY 100 HA2 -0.0028 0.0030 -0.0003 1560 MET 101 N -0.0043 0.0010 0.0031 1561 MET 101 CA -0.0035 0.0005 0.0019 1562 MET 101 C -0.0025 0.0017 0.0009 1563 MET 101 O -0.0017 0.0012 -0.0003 1564 MET 101 CB -0.0037 0.0002 0.0020 1565 MET 101 CG -0.0045 -0.0013 0.0027 1566 MET 101 SD -0.0041 -0.0031 0.0016 1567 MET 101 CE -0.0032 -0.0031 0.0004 1568 MET 101 H -0.0045 0.0019 0.0037 1569 MET 101 HA -0.0034 -0.0006 0.0015 1570 MET 101 HB3 -0.0030 0.0001 0.0011 1571 MET 101 HB2 -0.0039 0.0012 0.0026 1572 MET 101 HG3 -0.0047 -0.0014 0.0030 1573 MET 101 HG2 -0.0051 -0.0013 0.0036 1574 MET 101 HE1 -0.0029 -0.0041 -0.0003 1575 MET 101 HE2 -0.0036 -0.0031 0.0009 1576 MET 101 HE3 -0.0026 -0.0020 -0.0000 1577 VAL 102 N -0.0025 0.0032 0.0014 1578 VAL 102 CA -0.0016 0.0044 0.0006 1579 VAL 102 C -0.0016 0.0053 0.0008 1580 VAL 102 O -0.0023 0.0058 0.0019 1581 VAL 102 CB -0.0015 0.0056 0.0008 1582 VAL 102 CG1 -0.0006 0.0070 0.0000 1583 VAL 102 CG2 -0.0015 0.0048 0.0005 1584 VAL 102 H -0.0032 0.0035 0.0023 1585 VAL 102 HA -0.0010 0.0039 -0.0004 1586 VAL 102 HB -0.0022 0.0061 0.0018 1587 VAL 102 HG11 -0.0006 0.0078 0.0002 1588 VAL 102 HG12 -0.0007 0.0076 0.0003 1589 VAL 102 HG13 0.0000 0.0065 -0.0010 1590 VAL 102 HG21 -0.0014 0.0057 0.0007 1591 VAL 102 HG22 -0.0009 0.0043 -0.0005 1592 VAL 102 HG23 -0.0022 0.0039 0.0011 1593 VAL 103 N 0.0015 0.0123 -0.0028 1594 VAL 103 CA -0.0007 0.0111 -0.0023 1595 VAL 103 C -0.0013 0.0135 -0.0037 1596 VAL 103 O 0.0012 0.0146 -0.0041 1597 VAL 103 CB 0.0006 0.0084 -0.0006 1598 VAL 103 CG1 -0.0014 0.0076 -0.0004 1599 VAL 103 CG2 0.0005 0.0059 0.0008 1600 VAL 103 H 0.0040 0.0121 -0.0023 1601 VAL 103 HA -0.0032 0.0105 -0.0022 1602 VAL 103 HB 0.0032 0.0089 -0.0006 1603 VAL 103 HG11 -0.0004 0.0057 0.0008 1604 VAL 103 HG12 -0.0012 0.0094 -0.0014 1605 VAL 103 HG13 -0.0040 0.0071 -0.0004 1606 VAL 103 HG21 0.0015 0.0039 0.0020 1607 VAL 103 HG22 -0.0021 0.0054 0.0008 1608 VAL 103 HG23 0.0020 0.0064 0.0007 1609 ASP 104 N -0.0044 0.0143 -0.0045 1610 ASP 104 CA -0.0052 0.0165 -0.0059 1611 ASP 104 C -0.0061 0.0151 -0.0052 1612 ASP 104 O -0.0055 0.0164 -0.0059 1613 ASP 104 CB -0.0082 0.0182 -0.0072 1614 ASP 104 CG -0.0075 0.0198 -0.0080 1615 ASP 104 OD1 -0.0045 0.0206 -0.0082 1616 ASP 104 OD2 -0.0099 0.0201 -0.0085 1617 ASP 104 H -0.0063 0.0133 -0.0042 1618 ASP 104 HA -0.0030 0.0180 -0.0065 1619 ASP 104 HB3 -0.0087 0.0199 -0.0082 1620 ASP 104 HB2 -0.0104 0.0168 -0.0066 1621 ARG 105 N -0.0079 0.0172 -0.0062 1622 ARG 105 CA -0.0090 0.0119 -0.0053 1623 ARG 105 C -0.0090 0.0081 -0.0036 1624 ARG 105 O -0.0099 0.0088 -0.0050 1625 ARG 105 CB -0.0127 0.0107 -0.0094 1626 ARG 105 CG -0.0141 0.0055 -0.0089 1627 ARG 105 CD -0.0177 0.0047 -0.0132 1628 ARG 105 NE -0.0180 0.0092 -0.0155 1629 ARG 105 CZ -0.0209 0.0106 -0.0198 1630 ARG 105 NH1 -0.0238 0.0078 -0.0223 1631 ARG 105 NH2 -0.0208 0.0147 -0.0216 1632 ARG 105 H -0.0082 0.0179 -0.0069 1633 ARG 105 HA -0.0072 0.0116 -0.0028 1634 ARG 105 HB3 -0.0146 0.0109 -0.0119 1635 ARG 105 HB2 -0.0127 0.0138 -0.0108 1636 ARG 105 HG3 -0.0123 0.0054 -0.0065 1637 ARG 105 HG2 -0.0142 0.0024 -0.0076 1638 ARG 105 HD3 -0.0185 0.0013 -0.0126 1639 ARG 105 HD2 -0.0196 0.0039 -0.0152 1640 ARG 105 HE -0.0157 0.0114 -0.0136 1641 ARG 105 HH12 -0.0260 0.0088 -0.0256 1642 ARG 105 HH11 -0.0239 0.0046 -0.0210 1643 ARG 105 HH22 -0.0230 0.0157 -0.0248 1644 ARG 105 HH21 -0.0186 0.0169 -0.0197 1645 CYS 106 N -0.0080 0.0041 -0.0004 1646 CYS 106 CA -0.0078 0.0002 0.0015 1647 CYS 106 C -0.0104 -0.0050 0.0006 1648 CYS 106 O -0.0110 -0.0061 0.0003 1649 CYS 106 CB -0.0041 -0.0001 0.0065 1650 CYS 106 SG -0.0008 0.0058 0.0080 1651 CYS 106 H -0.0073 0.0037 0.0006 1652 CYS 106 HA -0.0086 0.0012 0.0001 1653 CYS 106 HB3 -0.0041 -0.0034 0.0079 1654 CYS 106 HB2 -0.0032 -0.0010 0.0079 1655 GLY 107 N -0.0089 -0.0017 -0.0013 1656 GLY 107 CA -0.0090 -0.0027 -0.0017 1657 GLY 107 C -0.0091 -0.0045 -0.0023 1658 GLY 107 O -0.0093 -0.0048 -0.0025 1659 GLY 107 H -0.0094 -0.0020 -0.0016 1660 GLY 107 HA3 -0.0100 -0.0023 -0.0019 1661 GLY 107 HA2 -0.0079 -0.0027 -0.0013 1662 CYS 108 N -0.0089 -0.0056 -0.0027 1663 CYS 108 CA -0.0090 -0.0073 -0.0033 1664 CYS 108 C -0.0107 -0.0078 -0.0041 1665 CYS 108 O -0.0112 -0.0077 -0.0043 1666 CYS 108 CB -0.0077 -0.0083 -0.0032 1667 CYS 108 SG -0.0056 -0.0080 -0.0024 1668 CYS 108 H -0.0087 -0.0053 -0.0025 1669 CYS 108 HA -0.0087 -0.0075 -0.0033 1670 CYS 108 HB3 -0.0078 -0.0096 -0.0037 1671 CYS 108 HB2 -0.0079 -0.0081 -0.0032 1672 SER 109 N -0.0114 -0.0051 -0.0019 1673 SER 109 CA -0.0121 -0.0052 -0.0024 1674 SER 109 C -0.0122 -0.0062 -0.0016 1675 SER 109 O -0.0113 -0.0063 -0.0008 1676 SER 109 CB -0.0118 -0.0042 -0.0031 1677 SER 109 OG -0.0117 -0.0033 -0.0038 1678 SER 109 OXT -0.0131 -0.0069 -0.0018 1679 SER 109 H -0.0106 -0.0049 -0.0014 1680 SER 109 HA -0.0130 -0.0055 -0.0030 1681 SER 109 HB3 -0.0124 -0.0043 -0.0035 1682 SER 109 HB2 -0.0110 -0.0040 -0.0025 1683 SER 109 HG -0.0111 -0.0032 -0.0034 1684 ASN 1 N 0.0226 0.0003 0.0396 1685 ASN 1 CA 0.0367 -0.0039 0.0366 1686 ASN 1 C 0.0430 -0.0056 0.0293 1687 ASN 1 O 0.0529 -0.0087 0.0341 1688 ASN 1 CB 0.0384 -0.0042 0.0276 1689 ASN 1 CG 0.0529 -0.0085 0.0244 1690 ASN 1 OD1 0.0590 -0.0105 0.0332 1691 ASN 1 ND2 0.0584 -0.0099 0.0140 1692 ASN 1 H1 0.0187 0.0014 0.0444 1693 ASN 1 H2 0.0215 0.0005 0.0459 1694 ASN 1 HA 0.0419 -0.0056 0.0465 1695 ASN 1 HB3 0.0329 -0.0024 0.0179 1696 ASN 1 HB2 0.0336 -0.0029 0.0329 1697 ASN 1 HD22 0.0681 -0.0128 0.0120 1698 ASN 1 HD21 0.0534 -0.0083 0.0075 1699 LEU 2 N 0.0367 -0.0035 0.0179 1700 LEU 2 CA 0.0406 -0.0045 0.0108 1701 LEU 2 C 0.0333 -0.0025 0.0171 1702 LEU 2 O 0.0354 -0.0030 0.0130 1703 LEU 2 CB 0.0375 -0.0033 -0.0048 1704 LEU 2 CG 0.0478 -0.0062 -0.0132 1705 LEU 2 CD1 0.0417 -0.0041 -0.0267 1706 LEU 2 CD2 0.0600 -0.0098 -0.0161 1707 LEU 2 H 0.0291 -0.0011 0.0139 1708 LEU 2 HA 0.0513 -0.0078 0.0120 1709 LEU 2 HB3 0.0369 -0.0030 -0.0092 1710 LEU 2 HB2 0.0276 -0.0003 -0.0063 1711 LEU 2 HG 0.0509 -0.0073 -0.0069 1712 LEU 2 HD11 0.0492 -0.0063 -0.0324 1713 LEU 2 HD12 0.0332 -0.0016 -0.0242 1714 LEU 2 HD13 0.0384 -0.0030 -0.0330 1715 LEU 2 HD21 0.0673 -0.0119 -0.0221 1716 LEU 2 HD22 0.0570 -0.0088 -0.0221 1717 LEU 2 HD23 0.0644 -0.0113 -0.0063 1718 GLY 3 N 0.0053 0.0075 0.0122 1719 GLY 3 CA 0.0053 0.0089 0.0108 1720 GLY 3 C 0.0055 0.0093 0.0110 1721 GLY 3 O 0.0058 0.0089 0.0124 1722 GLY 3 H 0.0057 0.0077 0.0135 1723 GLY 3 HA3 0.0057 0.0101 0.0109 1724 GLY 3 HA2 0.0048 0.0085 0.0095 1725 LEU 4 N 0.0053 0.0101 0.0095 1726 LEU 4 CA 0.0054 0.0105 0.0094 1727 LEU 4 C 0.0060 0.0125 0.0095 1728 LEU 4 O 0.0061 0.0137 0.0086 1729 LEU 4 CB 0.0047 0.0098 0.0077 1730 LEU 4 CG 0.0047 0.0099 0.0076 1731 LEU 4 CD1 0.0048 0.0087 0.0091 1732 LEU 4 CD2 0.0040 0.0093 0.0057 1733 LEU 4 H 0.0051 0.0104 0.0084 1734 LEU 4 HA 0.0055 0.0098 0.0106 1735 LEU 4 HB3 0.0046 0.0106 0.0066 1736 LEU 4 HB2 0.0043 0.0085 0.0076 1737 LEU 4 HG 0.0051 0.0113 0.0076 1738 LEU 4 HD11 0.0048 0.0088 0.0089 1739 LEU 4 HD12 0.0053 0.0092 0.0104 1740 LEU 4 HD13 0.0044 0.0073 0.0090 1741 LEU 4 HD21 0.0040 0.0093 0.0056 1742 LEU 4 HD22 0.0036 0.0079 0.0056 1743 LEU 4 HD23 0.0040 0.0102 0.0047 1744 ASP 5 N -0.0052 0.0069 0.0055 1745 ASP 5 CA -0.0047 0.0063 0.0052 1746 ASP 5 C -0.0048 0.0067 0.0049 1747 ASP 5 O -0.0050 0.0074 0.0045 1748 ASP 5 CB -0.0043 0.0061 0.0044 1749 ASP 5 CG -0.0041 0.0055 0.0047 1750 ASP 5 OD1 -0.0042 0.0052 0.0054 1751 ASP 5 OD2 -0.0039 0.0054 0.0042 1752 ASP 5 H -0.0053 0.0074 0.0051 1753 ASP 5 HA -0.0047 0.0058 0.0056 1754 ASP 5 HB3 -0.0040 0.0058 0.0041 1755 ASP 5 HB2 -0.0044 0.0066 0.0040 1756 CYS 6 N -0.0046 0.0062 0.0051 1757 CYS 6 CA -0.0046 0.0064 0.0048 1758 CYS 6 C -0.0042 0.0058 0.0044 1759 CYS 6 O -0.0039 0.0051 0.0045 1760 CYS 6 CB -0.0050 0.0066 0.0055 1761 CYS 6 SG -0.0056 0.0073 0.0061 1762 CYS 6 H -0.0045 0.0056 0.0054 1763 CYS 6 HA -0.0048 0.0070 0.0043 1764 CYS 6 HB3 -0.0050 0.0068 0.0053 1765 CYS 6 HB2 -0.0049 0.0061 0.0059 1766 ASP 7 N -0.0066 0.0003 -0.0091 1767 ASP 7 CA -0.0082 -0.0074 -0.0097 1768 ASP 7 C -0.0101 -0.0062 -0.0008 1769 ASP 7 O -0.0105 -0.0003 0.0061 1770 ASP 7 CB -0.0057 -0.0069 -0.0193 1771 ASP 7 CG -0.0031 0.0030 -0.0204 1772 ASP 7 OD1 -0.0030 0.0100 -0.0143 1773 ASP 7 OD2 -0.0012 0.0038 -0.0276 1774 ASP 7 H -0.0052 0.0073 -0.0079 1775 ASP 7 HA -0.0098 -0.0145 -0.0097 1776 ASP 7 HB3 -0.0046 -0.0086 -0.0255 1777 ASP 7 HB2 -0.0070 -0.0127 -0.0195 1778 GLU 8 N -0.0114 -0.0120 -0.0009 1779 GLU 8 CA -0.0133 -0.0117 0.0072 1780 GLU 8 C -0.0113 -0.0014 0.0087 1781 GLU 8 O -0.0126 0.0017 0.0169 1782 GLU 8 CB -0.0147 -0.0193 0.0053 1783 GLU 8 CG -0.0122 -0.0198 -0.0051 1784 GLU 8 CD -0.0136 -0.0276 -0.0067 1785 GLU 8 OE1 -0.0165 -0.0323 0.0005 1786 GLU 8 OE2 -0.0119 -0.0291 -0.0151 1787 GLU 8 H -0.0111 -0.0168 -0.0067 1788 GLU 8 HA -0.0154 -0.0133 0.0139 1789 GLU 8 HB3 -0.0168 -0.0266 0.0070 1790 GLU 8 HB2 -0.0156 -0.0179 0.0105 1791 GLU 8 HG3 -0.0101 -0.0126 -0.0067 1792 GLU 8 HG2 -0.0112 -0.0212 -0.0103 1793 HIS 9 N -0.0008 0.0123 -0.0003 1794 HIS 9 CA 0.0007 0.0208 -0.0003 1795 HIS 9 C -0.0009 0.0227 0.0013 1796 HIS 9 O 0.0023 0.0280 -0.0006 1797 HIS 9 CB 0.0075 0.0233 -0.0058 1798 HIS 9 CG 0.0097 0.0209 -0.0080 1799 HIS 9 ND1 0.0146 0.0164 -0.0129 1800 HIS 9 CD2 0.0077 0.0225 -0.0061 1801 HIS 9 CE1 0.0156 0.0153 -0.0139 1802 HIS 9 NE2 0.0114 0.0189 -0.0098 1803 HIS 9 H 0.0025 0.0086 -0.0037 1804 HIS 9 HA -0.0020 0.0243 0.0025 1805 HIS 9 HB3 0.0084 0.0297 -0.0056 1806 HIS 9 HB2 0.0103 0.0207 -0.0085 1807 HIS 9 HD1 0.0169 0.0145 -0.0152 1808 HIS 9 HD2 0.0039 0.0260 -0.0023 1809 HIS 9 HE1 0.0192 0.0118 -0.0176 1810 SER 10 N -0.0058 0.0185 0.0048 1811 SER 10 CA -0.0079 0.0202 0.0069 1812 SER 10 C -0.0144 0.0228 0.0129 1813 SER 10 O -0.0182 0.0197 0.0157 1814 SER 10 CB -0.0078 0.0127 0.0057 1815 SER 10 OG -0.0018 0.0101 0.0002 1816 SER 10 H -0.0081 0.0141 0.0062 1817 SER 10 HA -0.0048 0.0250 0.0050 1818 SER 10 HB3 -0.0094 0.0142 0.0073 1819 SER 10 HB2 -0.0110 0.0079 0.0077 1820 SER 10 HG 0.0010 0.0143 -0.0016 1821 SER 11 N -0.0062 -0.0186 -0.0302 1822 SER 11 CA -0.0004 -0.0211 -0.0364 1823 SER 11 C -0.0015 -0.0163 -0.0296 1824 SER 11 O -0.0019 -0.0191 -0.0330 1825 SER 11 CB -0.0059 -0.0302 -0.0455 1826 SER 11 OG -0.0185 -0.0326 -0.0425 1827 SER 11 H -0.0152 -0.0202 -0.0280 1828 SER 11 HA 0.0091 -0.0196 -0.0390 1829 SER 11 HB3 -0.0038 -0.0334 -0.0507 1830 SER 11 HB2 -0.0022 -0.0318 -0.0494 1831 SER 11 HG -0.0204 -0.0298 -0.0379 1832 GLU 12 N -0.0021 -0.0090 -0.0199 1833 GLU 12 CA -0.0038 -0.0037 -0.0121 1834 GLU 12 C 0.0074 0.0005 -0.0120 1835 GLU 12 O 0.0165 0.0052 -0.0104 1836 GLU 12 CB -0.0081 0.0026 -0.0017 1837 GLU 12 CG -0.0098 0.0086 0.0069 1838 GLU 12 CD -0.0191 0.0045 0.0060 1839 GLU 12 OE1 -0.0298 0.0014 0.0072 1840 GLU 12 OE2 -0.0156 0.0041 0.0038 1841 GLU 12 H -0.0014 -0.0070 -0.0175 1842 GLU 12 HA -0.0108 -0.0074 -0.0134 1843 GLU 12 HB3 -0.0018 0.0059 -0.0006 1844 GLU 12 HB2 -0.0165 -0.0004 -0.0016 1845 GLU 12 HG3 -0.0013 0.0119 0.0070 1846 GLU 12 HG2 -0.0126 0.0131 0.0141 1847 SER 13 N -0.0005 0.0006 0.0028 1848 SER 13 CA 0.0020 0.0024 -0.0002 1849 SER 13 C 0.0022 0.0052 -0.0002 1850 SER 13 O 0.0040 0.0079 -0.0021 1851 SER 13 CB 0.0038 -0.0008 -0.0028 1852 SER 13 OG 0.0036 -0.0026 -0.0027 1853 SER 13 H -0.0010 -0.0021 0.0032 1854 SER 13 HA 0.0025 0.0042 -0.0007 1855 SER 13 HB3 0.0035 -0.0030 -0.0027 1856 SER 13 HB2 0.0057 0.0006 -0.0051 1857 SER 13 HG 0.0039 -0.0006 -0.0029 1858 ARG 14 N 0.0005 0.0046 0.0019 1859 ARG 14 CA 0.0007 0.0071 0.0019 1860 ARG 14 C -0.0001 0.0113 0.0033 1861 ARG 14 O -0.0014 0.0120 0.0050 1862 ARG 14 CB -0.0009 0.0051 0.0038 1863 ARG 14 CG -0.0005 0.0008 0.0028 1864 ARG 14 CD -0.0003 0.0002 0.0024 1865 ARG 14 NE -0.0002 -0.0040 0.0019 1866 ARG 14 CZ 0.0018 -0.0061 -0.0009 1867 ARG 14 NH1 0.0040 -0.0042 -0.0034 1868 ARG 14 NH2 0.0017 -0.0099 -0.0011 1869 ARG 14 H -0.0009 0.0025 0.0035 1870 ARG 14 HA 0.0026 0.0073 -0.0005 1871 ARG 14 HB3 -0.0007 0.0069 0.0037 1872 ARG 14 HB2 -0.0029 0.0053 0.0063 1873 ARG 14 HG3 -0.0021 -0.0011 0.0046 1874 ARG 14 HG2 0.0012 0.0000 0.0006 1875 ARG 14 HD3 0.0015 0.0019 0.0004 1876 ARG 14 HD2 -0.0018 0.0014 0.0045 1877 ARG 14 HE -0.0018 -0.0054 0.0038 1878 ARG 14 HH12 0.0055 -0.0058 -0.0055 1879 ARG 14 HH11 0.0041 -0.0013 -0.0032 1880 ARG 14 HH22 0.0033 -0.0114 -0.0032 1881 ARG 14 HH21 0.0001 -0.0113 0.0008 1882 CYS 15 N 0.0009 0.0094 0.0063 1883 CYS 15 CA -0.0001 0.0100 0.0057 1884 CYS 15 C -0.0011 0.0100 0.0058 1885 CYS 15 O -0.0008 0.0101 0.0057 1886 CYS 15 CB 0.0004 0.0108 0.0047 1887 CYS 15 SG -0.0008 0.0117 0.0039 1888 CYS 15 H 0.0017 0.0096 0.0059 1889 CYS 15 HA -0.0005 0.0099 0.0059 1890 CYS 15 HB3 0.0009 0.0110 0.0045 1891 CYS 15 HB2 0.0010 0.0108 0.0046 1892 CYS 16 N -0.0022 0.0099 0.0061 1893 CYS 16 CA -0.0031 0.0098 0.0064 1894 CYS 16 C -0.0044 0.0101 0.0062 1895 CYS 16 O -0.0046 0.0102 0.0061 1896 CYS 16 CB -0.0030 0.0089 0.0074 1897 CYS 16 SG -0.0038 0.0086 0.0079 1898 CYS 16 H -0.0024 0.0100 0.0061 1899 CYS 16 HA -0.0029 0.0101 0.0060 1900 CYS 16 HB3 -0.0033 0.0086 0.0078 1901 CYS 16 HB2 -0.0021 0.0086 0.0076 1902 ARG 17 N -0.0080 0.0042 0.0049 1903 ARG 17 CA -0.0078 0.0030 0.0043 1904 ARG 17 C -0.0080 0.0016 0.0031 1905 ARG 17 O -0.0088 0.0019 0.0020 1906 ARG 17 CB -0.0085 0.0038 0.0037 1907 ARG 17 CG -0.0083 0.0026 0.0034 1908 ARG 17 CD -0.0090 0.0033 0.0027 1909 ARG 17 NE -0.0100 0.0038 0.0012 1910 ARG 17 CZ -0.0107 0.0038 0.0002 1911 ARG 17 NH1 -0.0104 0.0033 0.0003 1912 ARG 17 NH2 -0.0116 0.0042 -0.0011 1913 ARG 17 H -0.0087 0.0051 0.0042 1914 ARG 17 HA -0.0070 0.0025 0.0053 1915 ARG 17 HB3 -0.0093 0.0042 0.0027 1916 ARG 17 HB2 -0.0085 0.0049 0.0045 1917 ARG 17 HG3 -0.0075 0.0022 0.0044 1918 ARG 17 HG2 -0.0083 0.0015 0.0026 1919 ARG 17 HD3 -0.0089 0.0044 0.0035 1920 ARG 17 HD2 -0.0087 0.0024 0.0026 1921 ARG 17 HE -0.0103 0.0042 0.0011 1922 ARG 17 HH12 -0.0109 0.0032 -0.0005 1923 ARG 17 HH11 -0.0096 0.0029 0.0013 1924 ARG 17 HH22 -0.0121 0.0042 -0.0020 1925 ARG 17 HH21 -0.0119 0.0046 -0.0013 1926 TYR 18 N -0.0072 0.0001 0.0034 1927 TYR 18 CA -0.0073 -0.0014 0.0024 1928 TYR 18 C -0.0073 -0.0024 0.0017 1929 TYR 18 O -0.0070 -0.0023 0.0023 1930 TYR 18 CB -0.0064 -0.0024 0.0032 1931 TYR 18 CG -0.0064 -0.0017 0.0037 1932 TYR 18 CD1 -0.0060 -0.0005 0.0051 1933 TYR 18 CD2 -0.0067 -0.0021 0.0029 1934 TYR 18 CE1 -0.0060 0.0002 0.0055 1935 TYR 18 CE2 -0.0067 -0.0014 0.0033 1936 TYR 18 CZ -0.0063 -0.0003 0.0046 1937 TYR 18 OH -0.0063 0.0004 0.0051 1938 TYR 18 H -0.0066 -0.0001 0.0044 1939 TYR 18 HA -0.0080 -0.0010 0.0015 1940 TYR 18 HB3 -0.0063 -0.0037 0.0025 1941 TYR 18 HB2 -0.0057 -0.0027 0.0042 1942 TYR 18 HD1 -0.0057 -0.0002 0.0058 1943 TYR 18 HD2 -0.0070 -0.0030 0.0018 1944 TYR 18 HE1 -0.0057 0.0011 0.0065 1945 TYR 18 HE2 -0.0070 -0.0018 0.0026 1946 TYR 18 HH -0.0061 0.0012 0.0060 1947 PRO 19 N -0.0114 -0.0127 -0.0017 1948 PRO 19 CA -0.0109 -0.0129 -0.0017 1949 PRO 19 C -0.0086 -0.0136 -0.0014 1950 PRO 19 O -0.0075 -0.0145 -0.0019 1951 PRO 19 CB -0.0120 -0.0140 -0.0035 1952 PRO 19 CG -0.0121 -0.0148 -0.0045 1953 PRO 19 CD -0.0124 -0.0138 -0.0034 1954 PRO 19 HA -0.0114 -0.0119 -0.0008 1955 PRO 19 HB3 -0.0135 -0.0133 -0.0035 1956 PRO 19 HB2 -0.0111 -0.0148 -0.0039 1957 PRO 19 HG3 -0.0135 -0.0152 -0.0056 1958 PRO 19 HG2 -0.0107 -0.0158 -0.0049 1959 PRO 19 HD2 -0.0115 -0.0144 -0.0037 1960 PRO 19 HD3 -0.0140 -0.0132 -0.0035 1961 LEU 20 N -0.0078 -0.0133 -0.0006 1962 LEU 20 CA -0.0056 -0.0140 -0.0004 1963 LEU 20 C -0.0053 -0.0138 -0.0001 1964 LEU 20 O -0.0056 -0.0126 0.0012 1965 LEU 20 CB -0.0042 -0.0133 0.0010 1966 LEU 20 CG -0.0020 -0.0139 0.0014 1967 LEU 20 CD1 -0.0011 -0.0156 -0.0001 1968 LEU 20 CD2 -0.0008 -0.0130 0.0030 1969 LEU 20 H -0.0087 -0.0125 -0.0001 1970 LEU 20 HA -0.0052 -0.0152 -0.0016 1971 LEU 20 HB3 -0.0048 -0.0121 0.0021 1972 LEU 20 HB2 -0.0043 -0.0136 0.0007 1973 LEU 20 HG -0.0020 -0.0138 0.0016 1974 LEU 20 HD11 0.0005 -0.0160 0.0002 1975 LEU 20 HD12 -0.0020 -0.0162 -0.0012 1976 LEU 20 HD13 -0.0012 -0.0157 -0.0003 1977 LEU 20 HD21 0.0008 -0.0135 0.0032 1978 LEU 20 HD22 -0.0008 -0.0131 0.0028 1979 LEU 20 HD23 -0.0014 -0.0119 0.0040 1980 THR 21 N -0.0042 -0.0121 0.0027 1981 THR 21 CA -0.0026 -0.0102 0.0049 1982 THR 21 C 0.0001 -0.0083 0.0043 1983 THR 21 O 0.0013 -0.0081 0.0015 1984 THR 21 CB -0.0024 -0.0101 0.0045 1985 THR 21 OG1 -0.0049 -0.0119 0.0053 1986 THR 21 CG2 -0.0006 -0.0081 0.0068 1987 THR 21 H -0.0041 -0.0126 0.0005 1988 THR 21 HA -0.0036 -0.0102 0.0073 1989 THR 21 HB -0.0015 -0.0101 0.0021 1990 THR 21 HG1 -0.0060 -0.0131 0.0038 1991 THR 21 HG21 -0.0005 -0.0080 0.0065 1992 THR 21 HG22 0.0013 -0.0067 0.0063 1993 THR 21 HG23 -0.0015 -0.0081 0.0093 1994 VAL 22 N 0.0009 -0.0069 0.0068 1995 VAL 22 CA 0.0036 -0.0049 0.0065 1996 VAL 22 C 0.0054 -0.0031 0.0078 1997 VAL 22 O 0.0048 -0.0028 0.0105 1998 VAL 22 CB 0.0036 -0.0044 0.0084 1999 VAL 22 CG1 0.0064 -0.0021 0.0087 2000 VAL 22 CG2 0.0023 -0.0058 0.0067 2001 VAL 22 H -0.0002 -0.0072 0.0089 2002 VAL 22 HA 0.0043 -0.0050 0.0040 2003 VAL 22 HB 0.0024 -0.0046 0.0107 2004 VAL 22 HG11 0.0063 -0.0017 0.0100 2005 VAL 22 HG12 0.0072 -0.0010 0.0101 2006 VAL 22 HG13 0.0076 -0.0018 0.0064 2007 VAL 22 HG21 0.0023 -0.0054 0.0080 2008 VAL 22 HG22 0.0034 -0.0057 0.0043 2009 VAL 22 HG23 0.0003 -0.0074 0.0065 2010 ASP 23 N 0.0082 0.0024 0.0127 2011 ASP 23 CA 0.0077 0.0028 0.0130 2012 ASP 23 C 0.0071 0.0030 0.0124 2013 ASP 23 O 0.0067 0.0033 0.0123 2014 ASP 23 CB 0.0076 0.0032 0.0137 2015 ASP 23 CG 0.0071 0.0036 0.0141 2016 ASP 23 OD1 0.0073 0.0037 0.0147 2017 ASP 23 OD2 0.0065 0.0039 0.0137 2018 ASP 23 H 0.0081 0.0025 0.0127 2019 ASP 23 HA 0.0080 0.0027 0.0131 2020 ASP 23 HB3 0.0073 0.0033 0.0136 2021 ASP 23 HB2 0.0080 0.0030 0.0142 2022 PHE 24 N 0.0070 0.0030 0.0121 2023 PHE 24 CA 0.0065 0.0031 0.0114 2024 PHE 24 C 0.0058 0.0037 0.0117 2025 PHE 24 O 0.0053 0.0039 0.0113 2026 PHE 24 CB 0.0066 0.0029 0.0111 2027 PHE 24 CG 0.0071 0.0024 0.0107 2028 PHE 24 CD1 0.0072 0.0022 0.0101 2029 PHE 24 CD2 0.0076 0.0021 0.0109 2030 PHE 24 CE1 0.0077 0.0017 0.0097 2031 PHE 24 CE2 0.0082 0.0016 0.0105 2032 PHE 24 CZ 0.0082 0.0014 0.0099 2033 PHE 24 H 0.0073 0.0028 0.0122 2034 PHE 24 HA 0.0065 0.0030 0.0110 2035 PHE 24 HB3 0.0061 0.0031 0.0107 2036 PHE 24 HB2 0.0066 0.0031 0.0115 2037 PHE 24 HD1 0.0068 0.0024 0.0099 2038 PHE 24 HD2 0.0076 0.0023 0.0113 2039 PHE 24 HE1 0.0077 0.0015 0.0093 2040 PHE 24 HE2 0.0086 0.0014 0.0107 2041 PHE 24 HZ 0.0086 0.0010 0.0097 2042 GLU 25 N 0.0061 0.0040 0.0159 2043 GLU 25 CA 0.0050 0.0045 0.0165 2044 GLU 25 C 0.0047 0.0047 0.0171 2045 GLU 25 O 0.0037 0.0050 0.0170 2046 GLU 25 CB 0.0050 0.0047 0.0174 2047 GLU 25 CG 0.0058 0.0044 0.0172 2048 GLU 25 CD 0.0058 0.0047 0.0182 2049 GLU 25 OE1 0.0048 0.0050 0.0183 2050 GLU 25 OE2 0.0067 0.0046 0.0188 2051 GLU 25 H 0.0069 0.0039 0.0163 2052 GLU 25 HA 0.0043 0.0045 0.0158 2053 GLU 25 HB3 0.0041 0.0050 0.0175 2054 GLU 25 HB2 0.0052 0.0049 0.0183 2055 GLU 25 HG3 0.0067 0.0041 0.0171 2056 GLU 25 HG2 0.0055 0.0043 0.0163 2057 ALA 26 N 0.0057 0.0046 0.0177 2058 ALA 26 CA 0.0055 0.0048 0.0183 2059 ALA 26 C 0.0052 0.0046 0.0174 2060 ALA 26 O 0.0050 0.0048 0.0177 2061 ALA 26 CB 0.0066 0.0046 0.0191 2062 ALA 26 H 0.0065 0.0043 0.0177 2063 ALA 26 HA 0.0048 0.0051 0.0188 2064 ALA 26 HB1 0.0065 0.0048 0.0195 2065 ALA 26 HB2 0.0068 0.0048 0.0197 2066 ALA 26 HB3 0.0074 0.0043 0.0185 2067 PHE 27 N 0.0047 0.0033 0.0136 2068 PHE 27 CA 0.0045 0.0034 0.0118 2069 PHE 27 C 0.0040 0.0051 0.0115 2070 PHE 27 O 0.0038 0.0057 0.0101 2071 PHE 27 CB 0.0047 0.0020 0.0114 2072 PHE 27 CG 0.0051 0.0002 0.0114 2073 PHE 27 CD1 0.0053 -0.0001 0.0119 2074 PHE 27 CD2 0.0054 -0.0011 0.0111 2075 PHE 27 CE1 0.0056 -0.0017 0.0119 2076 PHE 27 CE2 0.0058 -0.0028 0.0111 2077 PHE 27 CZ 0.0059 -0.0031 0.0115 2078 PHE 27 H 0.0048 0.0030 0.0145 2079 PHE 27 HA 0.0044 0.0032 0.0110 2080 PHE 27 HB3 0.0046 0.0022 0.0101 2081 PHE 27 HB2 0.0048 0.0021 0.0122 2082 PHE 27 HD1 0.0051 0.0010 0.0122 2083 PHE 27 HD2 0.0053 -0.0009 0.0107 2084 PHE 27 HE1 0.0057 -0.0020 0.0123 2085 PHE 27 HE2 0.0060 -0.0038 0.0108 2086 PHE 27 HZ 0.0062 -0.0043 0.0116 2087 GLY 28 N 0.0040 0.0060 0.0130 2088 GLY 28 CA 0.0036 0.0077 0.0129 2089 GLY 28 C 0.0036 0.0077 0.0130 2090 GLY 28 O 0.0033 0.0091 0.0129 2091 GLY 28 H 0.0042 0.0055 0.0141 2092 GLY 28 HA3 0.0033 0.0083 0.0118 2093 GLY 28 HA2 0.0035 0.0084 0.0140 2094 TRP 29 N 0.0031 0.0024 0.0124 2095 TRP 29 CA 0.0032 0.0018 0.0111 2096 TRP 29 C 0.0032 0.0018 0.0109 2097 TRP 29 O 0.0044 0.0016 0.0109 2098 TRP 29 CB 0.0045 0.0014 0.0105 2099 TRP 29 CG 0.0046 0.0015 0.0106 2100 TRP 29 CD1 0.0036 0.0018 0.0111 2101 TRP 29 CD2 0.0057 0.0012 0.0102 2102 TRP 29 NE1 0.0041 0.0017 0.0111 2103 TRP 29 CE2 0.0054 0.0013 0.0105 2104 TRP 29 CE3 0.0070 0.0008 0.0097 2105 TRP 29 CZ2 0.0063 0.0011 0.0102 2106 TRP 29 CZ3 0.0079 0.0005 0.0094 2107 TRP 29 CH2 0.0075 0.0007 0.0097 2108 TRP 29 H 0.0040 0.0026 0.0129 2109 TRP 29 HA 0.0022 0.0017 0.0105 2110 TRP 29 HB3 0.0045 0.0010 0.0095 2111 TRP 29 HB2 0.0054 0.0015 0.0110 2112 TRP 29 HD1 0.0026 0.0021 0.0115 2113 TRP 29 HE1 0.0035 0.0019 0.0114 2114 TRP 29 HE3 0.0073 0.0006 0.0094 2115 TRP 29 HZ2 0.0060 0.0012 0.0105 2116 TRP 29 HZ3 0.0089 0.0002 0.0090 2117 TRP 29 HH2 0.0082 0.0005 0.0095 2118 ASP 30 N 0.0020 0.0018 0.0108 2119 ASP 30 CA 0.0020 0.0018 0.0107 2120 ASP 30 C 0.0024 0.0012 0.0094 2121 ASP 30 O 0.0026 0.0010 0.0092 2122 ASP 30 CB 0.0005 0.0021 0.0111 2123 ASP 30 CG -0.0006 0.0018 0.0101 2124 ASP 30 OD1 -0.0015 0.0017 0.0097 2125 ASP 30 OD2 -0.0007 0.0017 0.0098 2126 ASP 30 H 0.0011 0.0019 0.0108 2127 ASP 30 HA 0.0028 0.0020 0.0114 2128 ASP 30 HB3 0.0003 0.0026 0.0121 2129 ASP 30 HB2 0.0006 0.0021 0.0111 2130 TRP 31 N 0.0034 -0.0012 0.0065 2131 TRP 31 CA 0.0035 -0.0007 0.0051 2132 TRP 31 C 0.0044 0.0001 0.0043 2133 TRP 31 O 0.0044 0.0005 0.0030 2134 TRP 31 CB 0.0038 -0.0005 0.0051 2135 TRP 31 CG 0.0049 -0.0001 0.0062 2136 TRP 31 CD1 0.0049 -0.0004 0.0076 2137 TRP 31 CD2 0.0061 0.0009 0.0059 2138 TRP 31 NE1 0.0060 0.0002 0.0083 2139 TRP 31 CE2 0.0068 0.0010 0.0073 2140 TRP 31 CE3 0.0067 0.0016 0.0047 2141 TRP 31 CZ2 0.0080 0.0019 0.0074 2142 TRP 31 CZ3 0.0079 0.0024 0.0049 2143 TRP 31 CH2 0.0086 0.0025 0.0062 2144 TRP 31 H 0.0038 -0.0011 0.0074 2145 TRP 31 HA 0.0026 -0.0012 0.0044 2146 TRP 31 HB3 0.0030 -0.0012 0.0054 2147 TRP 31 HB2 0.0039 -0.0002 0.0041 2148 TRP 31 HD1 0.0040 -0.0012 0.0081 2149 TRP 31 HE1 0.0062 0.0000 0.0093 2150 TRP 31 HE3 0.0061 0.0015 0.0037 2151 TRP 31 HZ2 0.0086 0.0019 0.0084 2152 TRP 31 HZ3 0.0084 0.0030 0.0039 2153 TRP 31 HH2 0.0095 0.0032 0.0062 2154 ILE 32 N 0.0051 0.0004 0.0052 2155 ILE 32 CA 0.0058 0.0011 0.0045 2156 ILE 32 C 0.0051 0.0006 0.0043 2157 ILE 32 O 0.0047 0.0001 0.0053 2158 ILE 32 CB 0.0071 0.0017 0.0054 2159 ILE 32 CG1 0.0079 0.0023 0.0054 2160 ILE 32 CG2 0.0077 0.0022 0.0049 2161 ILE 32 CD1 0.0089 0.0026 0.0066 2162 ILE 32 H 0.0051 0.0001 0.0062 2163 ILE 32 HA 0.0060 0.0014 0.0035 2164 ILE 32 HB 0.0069 0.0013 0.0066 2165 ILE 32 HG13 0.0073 0.0019 0.0053 2166 ILE 32 HG12 0.0083 0.0028 0.0044 2167 ILE 32 HG21 0.0085 0.0027 0.0056 2168 ILE 32 HG22 0.0071 0.0018 0.0050 2169 ILE 32 HG23 0.0078 0.0026 0.0038 2170 ILE 32 HD11 0.0094 0.0031 0.0065 2171 ILE 32 HD12 0.0085 0.0021 0.0076 2172 ILE 32 HD13 0.0094 0.0030 0.0067 2173 ILE 33 N 0.0035 -0.0005 0.0012 2174 ILE 33 CA 0.0023 -0.0010 0.0009 2175 ILE 33 C 0.0041 -0.0003 0.0016 2176 ILE 33 O 0.0036 -0.0008 0.0031 2177 ILE 33 CB 0.0011 -0.0010 -0.0019 2178 ILE 33 CG1 -0.0008 -0.0018 -0.0026 2179 ILE 33 CG2 -0.0000 -0.0015 -0.0022 2180 ILE 33 CD1 -0.0015 -0.0016 -0.0056 2181 ILE 33 H 0.0042 0.0001 -0.0005 2182 ILE 33 HA 0.0009 -0.0019 0.0023 2183 ILE 33 HB 0.0025 -0.0001 -0.0033 2184 ILE 33 HG13 -0.0001 -0.0016 -0.0018 2185 ILE 33 HG12 -0.0024 -0.0027 -0.0015 2186 ILE 33 HG21 -0.0009 -0.0015 -0.0042 2187 ILE 33 HG22 0.0014 -0.0009 -0.0018 2188 ILE 33 HG23 -0.0014 -0.0024 -0.0008 2189 ILE 33 HD11 -0.0029 -0.0022 -0.0058 2190 ILE 33 HD12 0.0001 -0.0007 -0.0066 2191 ILE 33 HD13 -0.0023 -0.0018 -0.0064 2192 ALA 34 N 0.0063 0.0009 0.0005 2193 ALA 34 CA 0.0082 0.0017 0.0010 2194 ALA 34 C 0.0107 0.0029 0.0005 2195 ALA 34 O 0.0108 0.0033 -0.0012 2196 ALA 34 CB 0.0077 0.0018 -0.0008 2197 ALA 34 H 0.0066 0.0013 -0.0008 2198 ALA 34 HA 0.0082 0.0013 0.0030 2199 ALA 34 HB1 0.0091 0.0024 -0.0004 2200 ALA 34 HB2 0.0059 0.0009 -0.0004 2201 ALA 34 HB3 0.0076 0.0022 -0.0029 2202 PRO 35 N 0.0091 0.0026 0.0076 2203 PRO 35 CA 0.0093 0.0031 0.0092 2204 PRO 35 C 0.0082 0.0033 0.0104 2205 PRO 35 O 0.0075 0.0032 0.0100 2206 PRO 35 CB 0.0110 0.0033 0.0095 2207 PRO 35 CG 0.0114 0.0031 0.0086 2208 PRO 35 CD 0.0104 0.0026 0.0071 2209 PRO 35 HA 0.0091 0.0031 0.0092 2210 PRO 35 HB3 0.0118 0.0032 0.0091 2211 PRO 35 HB2 0.0111 0.0037 0.0107 2212 PRO 35 HG3 0.0126 0.0031 0.0083 2213 PRO 35 HG2 0.0110 0.0032 0.0092 2214 PRO 35 HD2 0.0099 0.0024 0.0069 2215 PRO 35 HD3 0.0111 0.0024 0.0062 2216 LYS 36 N 0.0080 0.0037 0.0117 2217 LYS 36 CA 0.0070 0.0040 0.0129 2218 LYS 36 C 0.0079 0.0043 0.0137 2219 LYS 36 O 0.0073 0.0044 0.0144 2220 LYS 36 CB 0.0064 0.0043 0.0141 2221 LYS 36 CG 0.0054 0.0040 0.0134 2222 LYS 36 CD 0.0038 0.0037 0.0129 2223 LYS 36 CE 0.0028 0.0034 0.0122 2224 LYS 36 NZ 0.0015 0.0030 0.0112 2225 LYS 36 H 0.0085 0.0038 0.0119 2226 LYS 36 HA 0.0059 0.0037 0.0124 2227 LYS 36 HB3 0.0057 0.0045 0.0150 2228 LYS 36 HB2 0.0075 0.0045 0.0147 2229 LYS 36 HG3 0.0053 0.0042 0.0142 2230 LYS 36 HG2 0.0061 0.0037 0.0124 2231 LYS 36 HD3 0.0040 0.0035 0.0121 2232 LYS 36 HD2 0.0032 0.0039 0.0139 2233 LYS 36 HE3 0.0023 0.0036 0.0131 2234 LYS 36 HE2 0.0036 0.0033 0.0114 2235 LYS 36 HZ1 0.0020 0.0028 0.0104 2236 LYS 36 HZ2 0.0009 0.0028 0.0108 2237 LYS 36 HZ3 0.0008 0.0032 0.0119 2238 ARG 37 N 0.0050 0.0056 0.0140 2239 ARG 37 CA 0.0046 0.0040 0.0130 2240 ARG 37 C 0.0046 0.0019 0.0136 2241 ARG 37 O 0.0048 0.0017 0.0153 2242 ARG 37 CB 0.0047 0.0042 0.0133 2243 ARG 37 CG 0.0047 0.0060 0.0125 2244 ARG 37 CD 0.0047 0.0057 0.0126 2245 ARG 37 NE 0.0051 0.0055 0.0146 2246 ARG 37 CZ 0.0055 0.0071 0.0158 2247 ARG 37 NH1 0.0055 0.0089 0.0150 2248 ARG 37 NH2 0.0058 0.0068 0.0176 2249 ARG 37 H 0.0052 0.0052 0.0154 2250 ARG 37 HA 0.0044 0.0042 0.0114 2251 ARG 37 HB3 0.0045 0.0028 0.0128 2252 ARG 37 HB2 0.0050 0.0041 0.0149 2253 ARG 37 HG3 0.0050 0.0073 0.0133 2254 ARG 37 HG2 0.0045 0.0062 0.0109 2255 ARG 37 HD3 0.0047 0.0070 0.0118 2256 ARG 37 HD2 0.0045 0.0044 0.0118 2257 ARG 37 HE 0.0051 0.0041 0.0152 2258 ARG 37 HH12 0.0058 0.0101 0.0159 2259 ARG 37 HH11 0.0053 0.0092 0.0136 2260 ARG 37 HH22 0.0061 0.0080 0.0185 2261 ARG 37 HH21 0.0057 0.0053 0.0181 2262 TYR 38 N 0.0042 0.0005 0.0124 2263 TYR 38 CA 0.0041 -0.0016 0.0129 2264 TYR 38 C 0.0037 -0.0030 0.0114 2265 TYR 38 O 0.0034 -0.0024 0.0098 2266 TYR 38 CB 0.0040 -0.0020 0.0129 2267 TYR 38 CG 0.0036 -0.0024 0.0108 2268 TYR 38 CD1 0.0035 -0.0009 0.0095 2269 TYR 38 CD2 0.0033 -0.0044 0.0103 2270 TYR 38 CE1 0.0031 -0.0013 0.0076 2271 TYR 38 CE2 0.0029 -0.0048 0.0085 2272 TYR 38 CZ 0.0028 -0.0032 0.0071 2273 TYR 38 OH 0.0025 -0.0036 0.0053 2274 TYR 38 H 0.0040 0.0008 0.0110 2275 TYR 38 HA 0.0043 -0.0020 0.0144 2276 TYR 38 HB3 0.0043 -0.0007 0.0135 2277 TYR 38 HB2 0.0041 -0.0032 0.0139 2278 TYR 38 HD1 0.0037 0.0007 0.0098 2279 TYR 38 HD2 0.0034 -0.0056 0.0114 2280 TYR 38 HE1 0.0030 -0.0001 0.0066 2281 TYR 38 HE2 0.0027 -0.0063 0.0081 2282 TYR 38 HH 0.0023 -0.0050 0.0052 2283 LYS 39 N -0.0087 -0.0065 0.0090 2284 LYS 39 CA -0.0089 -0.0088 0.0073 2285 LYS 39 C -0.0078 -0.0077 0.0072 2286 LYS 39 O -0.0090 -0.0068 0.0089 2287 LYS 39 CB -0.0118 -0.0110 0.0081 2288 LYS 39 CG -0.0128 -0.0125 0.0079 2289 LYS 39 CD -0.0157 -0.0147 0.0087 2290 LYS 39 CE -0.0177 -0.0137 0.0111 2291 LYS 39 NZ -0.0179 -0.0112 0.0132 2292 LYS 39 H -0.0104 -0.0060 0.0107 2293 LYS 39 HA -0.0076 -0.0098 0.0055 2294 LYS 39 HB3 -0.0119 -0.0125 0.0070 2295 LYS 39 HB2 -0.0131 -0.0100 0.0100 2296 LYS 39 HG3 -0.0128 -0.0109 0.0090 2297 LYS 39 HG2 -0.0116 -0.0135 0.0060 2298 LYS 39 HD3 -0.0159 -0.0167 0.0073 2299 LYS 39 HD2 -0.0163 -0.0150 0.0089 2300 LYS 39 HE3 -0.0170 -0.0132 0.0110 2301 LYS 39 HE2 -0.0197 -0.0154 0.0115 2302 LYS 39 HZ1 -0.0160 -0.0097 0.0127 2303 LYS 39 HZ2 -0.0189 -0.0117 0.0137 2304 LYS 39 HZ3 -0.0188 -0.0103 0.0147 2305 ALA 40 N -0.0054 -0.0078 0.0051 2306 ALA 40 CA -0.0041 -0.0068 0.0047 2307 ALA 40 C -0.0048 -0.0092 0.0035 2308 ALA 40 O -0.0050 -0.0087 0.0041 2309 ALA 40 CB -0.0011 -0.0054 0.0032 2310 ALA 40 H -0.0045 -0.0085 0.0037 2311 ALA 40 HA -0.0048 -0.0052 0.0065 2312 ALA 40 HB1 -0.0002 -0.0047 0.0029 2313 ALA 40 HB2 -0.0006 -0.0036 0.0041 2314 ALA 40 HB3 -0.0004 -0.0069 0.0014 2315 ASN 41 N -0.0072 -0.0086 0.0018 2316 ASN 41 CA -0.0076 -0.0080 0.0019 2317 ASN 41 C -0.0068 -0.0078 0.0032 2318 ASN 41 O -0.0059 -0.0081 0.0040 2319 ASN 41 CB -0.0087 -0.0068 0.0019 2320 ASN 41 CG -0.0096 -0.0069 0.0007 2321 ASN 41 OD1 -0.0099 -0.0075 -0.0004 2322 ASN 41 ND2 -0.0099 -0.0063 0.0009 2323 ASN 41 H -0.0071 -0.0094 0.0010 2324 ASN 41 HA -0.0077 -0.0086 0.0012 2325 ASN 41 HB3 -0.0091 -0.0065 0.0018 2326 ASN 41 HB2 -0.0086 -0.0062 0.0027 2327 ASN 41 HD22 -0.0105 -0.0063 0.0002 2328 ASN 41 HD21 -0.0097 -0.0058 0.0018 2329 TYR 42 N -0.0070 -0.0074 0.0034 2330 TYR 42 CA -0.0063 -0.0072 0.0046 2331 TYR 42 C -0.0069 -0.0063 0.0048 2332 TYR 42 O -0.0077 -0.0062 0.0038 2333 TYR 42 CB -0.0051 -0.0083 0.0047 2334 TYR 42 CG -0.0052 -0.0090 0.0039 2335 TYR 42 CD1 -0.0056 -0.0097 0.0026 2336 TYR 42 CD2 -0.0049 -0.0089 0.0044 2337 TYR 42 CE1 -0.0057 -0.0103 0.0018 2338 TYR 42 CE2 -0.0049 -0.0095 0.0036 2339 TYR 42 CZ -0.0053 -0.0102 0.0023 2340 TYR 42 OH -0.0054 -0.0108 0.0016 2341 TYR 42 H -0.0076 -0.0073 0.0027 2342 TYR 42 HA -0.0061 -0.0067 0.0054 2343 TYR 42 HB3 -0.0047 -0.0089 0.0046 2344 TYR 42 HB2 -0.0046 -0.0081 0.0057 2345 TYR 42 HD1 -0.0059 -0.0097 0.0022 2346 TYR 42 HD2 -0.0046 -0.0084 0.0054 2347 TYR 42 HE1 -0.0059 -0.0108 0.0008 2348 TYR 42 HE2 -0.0047 -0.0095 0.0040 2349 TYR 42 HH -0.0049 -0.0109 0.0021 2350 CYS 43 N -0.0069 0.0003 0.0030 2351 CYS 43 CA -0.0072 0.0016 0.0036 2352 CYS 43 C -0.0069 0.0013 0.0043 2353 CYS 43 O -0.0063 0.0003 0.0051 2354 CYS 43 CB -0.0073 0.0025 0.0047 2355 CYS 43 SG -0.0076 0.0029 0.0041 2356 CYS 43 H -0.0064 -0.0003 0.0038 2357 CYS 43 HA -0.0077 0.0023 0.0026 2358 CYS 43 HB3 -0.0076 0.0035 0.0051 2359 CYS 43 HB2 -0.0068 0.0019 0.0057 2360 SER 44 N -0.0073 0.0022 0.0040 2361 SER 44 CA -0.0071 0.0021 0.0047 2362 SER 44 C -0.0077 0.0035 0.0047 2363 SER 44 O -0.0082 0.0042 0.0036 2364 SER 44 CB -0.0068 0.0008 0.0039 2365 SER 44 OG -0.0066 0.0007 0.0045 2366 SER 44 H -0.0078 0.0030 0.0033 2367 SER 44 HA -0.0067 0.0018 0.0059 2368 SER 44 HB3 -0.0072 0.0010 0.0027 2369 SER 44 HB2 -0.0064 -0.0002 0.0040 2370 SER 44 HG -0.0062 -0.0000 0.0052 2371 GLY 45 N 0.0004 0.0131 0.0020 2372 GLY 45 CA 0.0008 0.0104 0.0016 2373 GLY 45 C 0.0024 0.0102 -0.0004 2374 GLY 45 O 0.0032 0.0123 -0.0015 2375 GLY 45 H 0.0013 0.0143 0.0008 2376 GLY 45 HA3 -0.0003 0.0097 0.0030 2377 GLY 45 HA2 0.0009 0.0090 0.0016 2378 GLN 46 N 0.0030 0.0077 -0.0010 2379 GLN 46 CA 0.0045 0.0072 -0.0029 2380 GLN 46 C 0.0043 0.0076 -0.0026 2381 GLN 46 O 0.0029 0.0071 -0.0009 2382 GLN 46 CB 0.0052 0.0042 -0.0036 2383 GLN 46 CG 0.0055 0.0035 -0.0039 2384 GLN 46 CD 0.0067 0.0052 -0.0055 2385 GLN 46 OE1 0.0061 0.0067 -0.0048 2386 GLN 46 NE2 0.0082 0.0053 -0.0074 2387 GLN 46 H 0.0023 0.0061 -0.0000 2388 GLN 46 HA 0.0055 0.0085 -0.0042 2389 GLN 46 HB3 0.0064 0.0038 -0.0050 2390 GLN 46 HB2 0.0043 0.0028 -0.0024 2391 GLN 46 HG3 0.0059 0.0013 -0.0043 2392 GLN 46 HG2 0.0042 0.0036 -0.0024 2393 GLN 46 HE22 0.0091 0.0065 -0.0085 2394 GLN 46 HE21 0.0086 0.0041 -0.0078 2395 CYS 47 N 0.0082 0.0089 -0.0087 2396 CYS 47 CA 0.0074 0.0089 -0.0074 2397 CYS 47 C 0.0082 0.0066 -0.0100 2398 CYS 47 O 0.0101 0.0080 -0.0118 2399 CYS 47 CB 0.0082 0.0127 -0.0064 2400 CYS 47 SG 0.0068 0.0153 -0.0029 2401 CYS 47 H 0.0100 0.0096 -0.0108 2402 CYS 47 HA 0.0054 0.0077 -0.0053 2403 CYS 47 HB3 0.0079 0.0126 -0.0061 2404 CYS 47 HB2 0.0102 0.0141 -0.0084 2405 GLU 48 N 0.0068 0.0030 -0.0100 2406 GLU 48 CA 0.0074 0.0006 -0.0124 2407 GLU 48 C 0.0056 -0.0011 -0.0107 2408 GLU 48 O 0.0035 -0.0011 -0.0078 2409 GLU 48 CB 0.0077 -0.0024 -0.0144 2410 GLU 48 CG 0.0098 -0.0008 -0.0165 2411 GLU 48 CD 0.0094 -0.0030 -0.0172 2412 GLU 48 OE1 0.0077 -0.0061 -0.0165 2413 GLU 48 OE2 0.0109 -0.0017 -0.0185 2414 GLU 48 H 0.0053 0.0020 -0.0085 2415 GLU 48 HA 0.0092 0.0021 -0.0140 2416 GLU 48 HB3 0.0079 -0.0044 -0.0159 2417 GLU 48 HB2 0.0060 -0.0038 -0.0128 2418 GLU 48 HG3 0.0101 0.0020 -0.0153 2419 GLU 48 HG2 0.0115 -0.0006 -0.0187 2420 TYR 49 N 0.0141 -0.0017 -0.0188 2421 TYR 49 CA 0.0109 -0.0036 -0.0166 2422 TYR 49 C 0.0083 0.0015 -0.0111 2423 TYR 49 O 0.0109 0.0075 -0.0106 2424 TYR 49 CB 0.0069 -0.0106 -0.0162 2425 TYR 49 CG 0.0094 -0.0157 -0.0216 2426 TYR 49 CD1 0.0119 -0.0181 -0.0254 2427 TYR 49 CD2 0.0095 -0.0182 -0.0229 2428 TYR 49 CE1 0.0143 -0.0227 -0.0304 2429 TYR 49 CE2 0.0118 -0.0229 -0.0279 2430 TYR 49 CZ 0.0142 -0.0251 -0.0316 2431 TYR 49 OH 0.0166 -0.0297 -0.0366 2432 TYR 49 H 0.0178 -0.0017 -0.0227 2433 TYR 49 HA 0.0136 -0.0037 -0.0194 2434 TYR 49 HB3 0.0046 -0.0120 -0.0145 2435 TYR 49 HB2 0.0041 -0.0106 -0.0133 2436 TYR 49 HD1 0.0120 -0.0162 -0.0245 2437 TYR 49 HD2 0.0076 -0.0164 -0.0201 2438 TYR 49 HE1 0.0162 -0.0245 -0.0333 2439 TYR 49 HE2 0.0118 -0.0247 -0.0289 2440 TYR 49 HH 0.0181 -0.0307 -0.0386 2441 MET 50 N 0.0031 -0.0009 -0.0070 2442 MET 50 CA 0.0004 0.0037 -0.0017 2443 MET 50 C -0.0032 0.0046 0.0025 2444 MET 50 O -0.0063 0.0076 0.0073 2445 MET 50 CB -0.0028 0.0011 0.0002 2446 MET 50 CG 0.0004 -0.0004 -0.0039 2447 MET 50 SD -0.0036 -0.0035 -0.0015 2448 MET 50 CE -0.0049 0.0039 0.0039 2449 MET 50 H 0.0010 -0.0058 -0.0075 2450 MET 50 HA 0.0034 0.0085 -0.0022 2451 MET 50 HB3 -0.0045 0.0047 0.0040 2452 MET 50 HB2 -0.0061 -0.0034 0.0012 2453 MET 50 HG3 0.0021 -0.0041 -0.0077 2454 MET 50 HG2 0.0037 0.0041 -0.0049 2455 MET 50 HE1 -0.0073 0.0029 0.0059 2456 MET 50 HE2 -0.0070 0.0053 0.0068 2457 MET 50 HE3 -0.0012 0.0079 0.0022 2458 PHE 51 N 0.0033 -0.0009 -0.0049 2459 PHE 51 CA 0.0021 -0.0003 -0.0021 2460 PHE 51 C 0.0025 0.0036 -0.0002 2461 PHE 51 O 0.0042 0.0063 -0.0018 2462 PHE 51 CB 0.0025 -0.0014 -0.0037 2463 PHE 51 CG 0.0021 -0.0053 -0.0054 2464 PHE 51 CD1 0.0003 -0.0082 -0.0037 2465 PHE 51 CD2 0.0034 -0.0062 -0.0088 2466 PHE 51 CE1 -0.0002 -0.0118 -0.0053 2467 PHE 51 CE2 0.0030 -0.0098 -0.0104 2468 PHE 51 CZ 0.0012 -0.0127 -0.0086 2469 PHE 51 H 0.0043 -0.0016 -0.0074 2470 PHE 51 HA 0.0006 -0.0022 -0.0002 2471 PHE 51 HB3 0.0017 -0.0008 -0.0016 2472 PHE 51 HB2 0.0041 0.0005 -0.0056 2473 PHE 51 HD1 -0.0008 -0.0076 -0.0011 2474 PHE 51 HD2 0.0049 -0.0040 -0.0102 2475 PHE 51 HE1 -0.0016 -0.0140 -0.0039 2476 PHE 51 HE2 0.0041 -0.0105 -0.0130 2477 PHE 51 HZ 0.0008 -0.0155 -0.0098 2478 MET 52 N 0.0009 0.0039 0.0032 2479 MET 52 CA 0.0009 0.0075 0.0055 2480 MET 52 C 0.0019 0.0102 0.0054 2481 MET 52 O 0.0028 0.0135 0.0059 2482 MET 52 CB 0.0021 0.0092 0.0045 2483 MET 52 CG 0.0015 0.0065 0.0036 2484 MET 52 SD -0.0011 0.0041 0.0073 2485 MET 52 CE -0.0012 0.0076 0.0100 2486 MET 52 H -0.0005 0.0016 0.0044 2487 MET 52 HA -0.0006 0.0069 0.0082 2488 MET 52 HB3 0.0017 0.0114 0.0066 2489 MET 52 HB2 0.0037 0.0106 0.0022 2490 MET 52 HG3 0.0024 0.0079 0.0028 2491 MET 52 HG2 0.0020 0.0044 0.0014 2492 MET 52 HE1 -0.0028 0.0066 0.0124 2493 MET 52 HE2 -0.0003 0.0085 0.0087 2494 MET 52 HE3 -0.0008 0.0100 0.0108 2495 GLN 53 N 0.0073 0.0096 -0.0045 2496 GLN 53 CA 0.0066 0.0081 -0.0049 2497 GLN 53 C 0.0077 0.0080 -0.0076 2498 GLN 53 O 0.0093 0.0097 -0.0086 2499 GLN 53 CB 0.0063 0.0091 -0.0029 2500 GLN 53 CG 0.0048 0.0087 -0.0003 2501 GLN 53 CD 0.0045 0.0097 0.0017 2502 GLN 53 OE1 0.0050 0.0099 0.0010 2503 GLN 53 NE2 0.0038 0.0103 0.0041 2504 GLN 53 H 0.0083 0.0114 -0.0042 2505 GLN 53 HA 0.0054 0.0064 -0.0048 2506 GLN 53 HB3 0.0060 0.0082 -0.0035 2507 GLN 53 HB2 0.0074 0.0110 -0.0028 2508 GLN 53 HG3 0.0051 0.0096 0.0003 2509 GLN 53 HG2 0.0037 0.0068 -0.0004 2510 GLN 53 HE22 0.0035 0.0109 0.0055 2511 GLN 53 HE21 0.0034 0.0100 0.0045 2512 LYS 54 N 0.0069 0.0058 -0.0087 2513 LYS 54 CA 0.0077 0.0052 -0.0113 2514 LYS 54 C 0.0076 0.0051 -0.0114 2515 LYS 54 O 0.0089 0.0061 -0.0128 2516 LYS 54 CB 0.0069 0.0029 -0.0127 2517 LYS 54 CG 0.0073 0.0017 -0.0152 2518 LYS 54 CD 0.0063 -0.0006 -0.0163 2519 LYS 54 CE 0.0070 -0.0017 -0.0191 2520 LYS 54 NZ 0.0058 -0.0042 -0.0199 2521 LYS 54 H 0.0056 0.0045 -0.0078 2522 LYS 54 HA 0.0090 0.0066 -0.0123 2523 LYS 54 HB3 0.0055 0.0017 -0.0115 2524 LYS 54 HB2 0.0072 0.0032 -0.0131 2525 LYS 54 HG3 0.0086 0.0029 -0.0166 2526 LYS 54 HG2 0.0069 0.0014 -0.0149 2527 LYS 54 HD3 0.0050 -0.0019 -0.0152 2528 LYS 54 HD2 0.0065 -0.0004 -0.0162 2529 LYS 54 HE3 0.0082 -0.0006 -0.0203 2530 LYS 54 HE2 0.0071 -0.0015 -0.0193 2531 LYS 54 HZ1 0.0053 -0.0045 -0.0192 2532 LYS 54 HZ2 0.0048 -0.0053 -0.0193 2533 LYS 54 HZ3 0.0064 -0.0047 -0.0219 2534 TYR 55 N 0.0001 0.0046 -0.0013 2535 TYR 55 CA -0.0002 0.0044 -0.0005 2536 TYR 55 C -0.0007 0.0048 -0.0001 2537 TYR 55 O -0.0008 0.0049 -0.0001 2538 TYR 55 CB 0.0002 0.0037 -0.0001 2539 TYR 55 CG 0.0007 0.0032 -0.0004 2540 TYR 55 CD1 0.0007 0.0033 -0.0006 2541 TYR 55 CD2 0.0013 0.0026 -0.0006 2542 TYR 55 CE1 0.0012 0.0029 -0.0009 2543 TYR 55 CE2 0.0017 0.0022 -0.0009 2544 TYR 55 CZ 0.0017 0.0024 -0.0010 2545 TYR 55 OH 0.0022 0.0020 -0.0013 2546 TYR 55 H 0.0003 0.0044 -0.0014 2547 TYR 55 HA -0.0002 0.0045 -0.0006 2548 TYR 55 HB3 -0.0000 0.0036 0.0005 2549 TYR 55 HB2 0.0003 0.0035 -0.0002 2550 TYR 55 HD1 0.0003 0.0038 -0.0005 2551 TYR 55 HD2 0.0013 0.0025 -0.0004 2552 TYR 55 HE1 0.0012 0.0030 -0.0010 2553 TYR 55 HE2 0.0021 0.0018 -0.0010 2554 TYR 55 HH 0.0021 0.0020 -0.0013 2555 PRO 56 N -0.0011 0.0050 0.0003 2556 PRO 56 CA -0.0017 0.0055 0.0008 2557 PRO 56 C -0.0018 0.0051 0.0014 2558 PRO 56 O -0.0022 0.0055 0.0017 2559 PRO 56 CB -0.0020 0.0056 0.0011 2560 PRO 56 CG -0.0016 0.0050 0.0011 2561 PRO 56 CD -0.0011 0.0049 0.0004 2562 PRO 56 HA -0.0019 0.0059 0.0004 2563 PRO 56 HB3 -0.0022 0.0061 0.0008 2564 PRO 56 HB2 -0.0023 0.0056 0.0017 2565 PRO 56 HG3 -0.0017 0.0052 0.0011 2566 PRO 56 HG2 -0.0015 0.0046 0.0016 2567 PRO 56 HD2 -0.0007 0.0043 0.0005 2568 PRO 56 HD3 -0.0010 0.0052 -0.0000 2569 HIS 57 N 0.0031 0.0045 0.0037 2570 HIS 57 CA 0.0030 0.0046 0.0035 2571 HIS 57 C 0.0029 0.0049 0.0031 2572 HIS 57 O 0.0026 0.0049 0.0029 2573 HIS 57 CB 0.0034 0.0046 0.0038 2574 HIS 57 CG 0.0032 0.0046 0.0036 2575 HIS 57 ND1 0.0034 0.0050 0.0033 2576 HIS 57 CD2 0.0030 0.0044 0.0038 2577 HIS 57 CE1 0.0032 0.0049 0.0033 2578 HIS 57 NE2 0.0030 0.0046 0.0036 2579 HIS 57 H 0.0034 0.0045 0.0039 2580 HIS 57 HA 0.0026 0.0043 0.0036 2581 HIS 57 HB3 0.0037 0.0048 0.0037 2582 HIS 57 HB2 0.0034 0.0043 0.0041 2583 HIS 57 HD2 0.0029 0.0041 0.0040 2584 HIS 57 HE1 0.0033 0.0052 0.0031 2585 HIS 57 HE2 0.0029 0.0044 0.0036 2586 THR 58 N 0.0032 0.0052 0.0030 2587 THR 58 CA 0.0031 0.0056 0.0026 2588 THR 58 C 0.0026 0.0056 0.0023 2589 THR 58 O 0.0024 0.0057 0.0020 2590 THR 58 CB 0.0035 0.0059 0.0025 2591 THR 58 OG1 0.0040 0.0059 0.0027 2592 THR 58 CG2 0.0035 0.0063 0.0021 2593 THR 58 H 0.0034 0.0052 0.0032 2594 THR 58 HA 0.0032 0.0057 0.0025 2595 THR 58 HB 0.0034 0.0058 0.0026 2596 THR 58 HG1 0.0041 0.0061 0.0026 2597 THR 58 HG21 0.0037 0.0064 0.0020 2598 THR 58 HG22 0.0031 0.0062 0.0019 2599 THR 58 HG23 0.0035 0.0064 0.0020 2600 HIS 59 N 0.0046 0.0057 0.0076 2601 HIS 59 CA 0.0036 0.0058 0.0071 2602 HIS 59 C 0.0028 0.0054 0.0074 2603 HIS 59 O 0.0020 0.0056 0.0068 2604 HIS 59 CB 0.0033 0.0055 0.0074 2605 HIS 59 CG 0.0022 0.0055 0.0070 2606 HIS 59 ND1 0.0018 0.0061 0.0061 2607 HIS 59 CD2 0.0013 0.0050 0.0074 2608 HIS 59 CE1 0.0008 0.0060 0.0060 2609 HIS 59 NE2 0.0005 0.0053 0.0067 2610 HIS 59 H 0.0050 0.0055 0.0080 2611 HIS 59 HA 0.0036 0.0063 0.0065 2612 HIS 59 HB3 0.0034 0.0050 0.0081 2613 HIS 59 HB2 0.0038 0.0058 0.0071 2614 HIS 59 HD2 0.0014 0.0044 0.0081 2615 HIS 59 HE1 0.0004 0.0064 0.0054 2616 HIS 59 HE2 -0.0002 0.0049 0.0069 2617 LEU 60 N 0.0029 0.0047 0.0082 2618 LEU 60 CA 0.0022 0.0043 0.0085 2619 LEU 60 C 0.0022 0.0046 0.0081 2620 LEU 60 O 0.0014 0.0046 0.0079 2621 LEU 60 CB 0.0024 0.0036 0.0094 2622 LEU 60 CG 0.0022 0.0032 0.0099 2623 LEU 60 CD1 0.0027 0.0025 0.0108 2624 LEU 60 CD2 0.0010 0.0029 0.0098 2625 LEU 60 H 0.0036 0.0046 0.0086 2626 LEU 60 HA 0.0014 0.0042 0.0083 2627 LEU 60 HB3 0.0019 0.0033 0.0096 2628 LEU 60 HB2 0.0032 0.0036 0.0096 2629 LEU 60 HG 0.0025 0.0035 0.0096 2630 LEU 60 HD11 0.0025 0.0022 0.0111 2631 LEU 60 HD12 0.0035 0.0027 0.0108 2632 LEU 60 HD13 0.0024 0.0022 0.0111 2633 LEU 60 HD21 0.0009 0.0026 0.0101 2634 LEU 60 HD22 0.0006 0.0026 0.0101 2635 LEU 60 HD23 0.0007 0.0034 0.0091 2636 VAL 61 N 0.0079 0.0069 0.0053 2637 VAL 61 CA 0.0089 0.0066 0.0051 2638 VAL 61 C 0.0085 0.0067 0.0040 2639 VAL 61 O 0.0086 0.0067 0.0041 2640 VAL 61 CB 0.0102 0.0062 0.0049 2641 VAL 61 CG1 0.0111 0.0059 0.0044 2642 VAL 61 CG2 0.0107 0.0060 0.0061 2643 VAL 61 H 0.0082 0.0068 0.0050 2644 VAL 61 HA 0.0089 0.0066 0.0060 2645 VAL 61 HB 0.0102 0.0062 0.0041 2646 VAL 61 HG11 0.0121 0.0056 0.0043 2647 VAL 61 HG12 0.0108 0.0060 0.0035 2648 VAL 61 HG13 0.0112 0.0059 0.0052 2649 VAL 61 HG21 0.0117 0.0058 0.0059 2650 VAL 61 HG22 0.0107 0.0060 0.0069 2651 VAL 61 HG23 0.0101 0.0062 0.0064 2652 GLN 62 N 0.0081 0.0068 0.0029 2653 GLN 62 CA 0.0077 0.0070 0.0017 2654 GLN 62 C 0.0066 0.0073 0.0021 2655 GLN 62 O 0.0066 0.0073 0.0017 2656 GLN 62 CB 0.0072 0.0071 0.0006 2657 GLN 62 CG 0.0083 0.0068 -0.0002 2658 GLN 62 CD 0.0078 0.0069 -0.0013 2659 GLN 62 OE1 0.0073 0.0071 -0.0009 2660 GLN 62 NE2 0.0080 0.0069 -0.0025 2661 GLN 62 H 0.0080 0.0069 0.0028 2662 GLN 62 HA 0.0085 0.0067 0.0014 2663 GLN 62 HB3 0.0066 0.0073 -0.0001 2664 GLN 62 HB2 0.0066 0.0073 0.0009 2665 GLN 62 HG3 0.0090 0.0066 0.0004 2666 GLN 62 HG2 0.0088 0.0066 -0.0008 2667 GLN 62 HE22 0.0077 0.0070 -0.0033 2668 GLN 62 HE21 0.0084 0.0068 -0.0028 2669 GLN 63 N 0.0051 0.0066 0.0053 2670 GLN 63 CA 0.0039 0.0057 0.0047 2671 GLN 63 C 0.0040 0.0060 0.0043 2672 GLN 63 O 0.0035 0.0058 0.0030 2673 GLN 63 CB 0.0030 0.0047 0.0061 2674 GLN 63 CG 0.0025 0.0042 0.0063 2675 GLN 63 CD 0.0013 0.0031 0.0072 2676 GLN 63 OE1 0.0014 0.0028 0.0086 2677 GLN 63 NE2 0.0003 0.0024 0.0063 2678 GLN 63 H 0.0053 0.0065 0.0065 2679 GLN 63 HA 0.0034 0.0056 0.0037 2680 GLN 63 HB3 0.0022 0.0041 0.0058 2681 GLN 63 HB2 0.0036 0.0049 0.0072 2682 GLN 63 HG3 0.0033 0.0047 0.0070 2683 GLN 63 HG2 0.0023 0.0043 0.0051 2684 GLN 63 HE22 -0.0006 0.0016 0.0068 2685 GLN 63 HE21 0.0002 0.0026 0.0052 2686 ALA 64 N 0.0048 0.0064 0.0053 2687 ALA 64 CA 0.0051 0.0067 0.0050 2688 ALA 64 C 0.0058 0.0076 0.0035 2689 ALA 64 O 0.0056 0.0076 0.0026 2690 ALA 64 CB 0.0059 0.0070 0.0064 2691 ALA 64 H 0.0053 0.0065 0.0063 2692 ALA 64 HA 0.0042 0.0060 0.0047 2693 ALA 64 HB1 0.0061 0.0072 0.0062 2694 ALA 64 HB2 0.0053 0.0063 0.0075 2695 ALA 64 HB3 0.0068 0.0077 0.0067 2696 ASN 65 N 0.0124 0.0052 0.0029 2697 ASN 65 CA 0.0123 0.0060 0.0026 2698 ASN 65 C 0.0121 0.0064 0.0020 2699 ASN 65 O 0.0119 0.0065 0.0013 2700 ASN 65 CB 0.0122 0.0059 0.0022 2701 ASN 65 CG 0.0121 0.0067 0.0020 2702 ASN 65 OD1 0.0119 0.0067 0.0014 2703 ASN 65 ND2 0.0123 0.0074 0.0023 2704 ASN 65 H 0.0127 0.0051 0.0035 2705 ASN 65 HA 0.0126 0.0065 0.0031 2706 ASN 65 HB3 0.0120 0.0055 0.0017 2707 ASN 65 HB2 0.0123 0.0055 0.0026 2708 ASN 65 HD22 0.0123 0.0079 0.0022 2709 ASN 65 HD21 0.0125 0.0074 0.0027 2710 PRO 66 N 0.0122 0.0066 0.0022 2711 PRO 66 CA 0.0120 0.0070 0.0017 2712 PRO 66 C 0.0120 0.0079 0.0014 2713 PRO 66 O 0.0122 0.0083 0.0018 2714 PRO 66 CB 0.0122 0.0069 0.0021 2715 PRO 66 CG 0.0126 0.0070 0.0030 2716 PRO 66 CD 0.0126 0.0066 0.0031 2717 PRO 66 HA 0.0118 0.0066 0.0012 2718 PRO 66 HB3 0.0122 0.0063 0.0021 2719 PRO 66 HB2 0.0122 0.0074 0.0020 2720 PRO 66 HG3 0.0127 0.0067 0.0034 2721 PRO 66 HG2 0.0126 0.0077 0.0031 2722 PRO 66 HD2 0.0127 0.0070 0.0034 2723 PRO 66 HD3 0.0126 0.0059 0.0033 2724 ARG 67 N 0.0144 0.0080 -0.0062 2725 ARG 67 CA 0.0109 0.0118 -0.0056 2726 ARG 67 C 0.0092 0.0146 -0.0031 2727 ARG 67 O 0.0088 0.0143 -0.0046 2728 ARG 67 CB 0.0082 0.0123 -0.0104 2729 ARG 67 CG 0.0072 0.0130 -0.0110 2730 ARG 67 CD 0.0048 0.0131 -0.0159 2731 ARG 67 NE 0.0017 0.0155 -0.0174 2732 ARG 67 CZ 0.0007 0.0146 -0.0216 2733 ARG 67 NH1 0.0026 0.0114 -0.0247 2734 ARG 67 NH2 -0.0021 0.0169 -0.0226 2735 ARG 67 H 0.0146 0.0064 -0.0095 2736 ARG 67 HA 0.0114 0.0123 -0.0034 2737 ARG 67 HB3 0.0057 0.0145 -0.0110 2738 ARG 67 HB2 0.0094 0.0098 -0.0132 2739 ARG 67 HG3 0.0097 0.0109 -0.0102 2740 ARG 67 HG2 0.0057 0.0156 -0.0084 2741 ARG 67 HD3 0.0064 0.0104 -0.0184 2742 ARG 67 HD2 0.0037 0.0141 -0.0161 2743 ARG 67 HE 0.0003 0.0180 -0.0151 2744 ARG 67 HH12 0.0018 0.0107 -0.0279 2745 ARG 67 HH11 0.0047 0.0096 -0.0239 2746 ARG 67 HH22 -0.0029 0.0162 -0.0258 2747 ARG 67 HH21 -0.0035 0.0194 -0.0203 2748 GLY 68 N 0.0082 0.0172 0.0007 2749 GLY 68 CA 0.0064 0.0201 0.0032 2750 GLY 68 C 0.0090 0.0194 0.0071 2751 GLY 68 O 0.0078 0.0215 0.0093 2752 GLY 68 H 0.0088 0.0172 0.0019 2753 GLY 68 HA3 0.0046 0.0208 0.0007 2754 GLY 68 HA2 0.0046 0.0226 0.0047 2755 SER 69 N 0.0117 0.0104 0.0048 2756 SER 69 CA 0.0117 0.0104 0.0048 2757 SER 69 C 0.0115 0.0100 0.0058 2758 SER 69 O 0.0122 0.0098 0.0065 2759 SER 69 CB 0.0127 0.0107 0.0043 2760 SER 69 OG 0.0135 0.0106 0.0051 2761 SER 69 H 0.0124 0.0105 0.0049 2762 SER 69 HA 0.0110 0.0105 0.0043 2763 SER 69 HB3 0.0129 0.0110 0.0037 2764 SER 69 HB2 0.0125 0.0108 0.0041 2765 SER 69 HG 0.0139 0.0107 0.0050 2766 ALA 70 N 0.0107 0.0098 0.0060 2767 ALA 70 CA 0.0104 0.0093 0.0070 2768 ALA 70 C 0.0109 0.0093 0.0073 2769 ALA 70 O 0.0109 0.0090 0.0081 2770 ALA 70 CB 0.0092 0.0091 0.0070 2771 ALA 70 H 0.0101 0.0099 0.0054 2772 ALA 70 HA 0.0107 0.0092 0.0075 2773 ALA 70 HB1 0.0090 0.0088 0.0077 2774 ALA 70 HB2 0.0089 0.0091 0.0069 2775 ALA 70 HB3 0.0089 0.0093 0.0064 2776 GLY 71 N 0.0137 0.0095 0.0008 2777 GLY 71 CA 0.0130 0.0095 0.0006 2778 GLY 71 C 0.0115 0.0097 0.0001 2779 GLY 71 O 0.0110 0.0097 -0.0001 2780 GLY 71 H 0.0140 0.0105 0.0006 2781 GLY 71 HA3 0.0131 0.0084 0.0010 2782 GLY 71 HA2 0.0135 0.0103 0.0005 2783 PRO 72 N 0.0107 0.0098 -0.0003 2784 PRO 72 CA 0.0092 0.0100 -0.0008 2785 PRO 72 C 0.0084 0.0087 -0.0007 2786 PRO 72 O 0.0087 0.0075 -0.0002 2787 PRO 72 CB 0.0087 0.0103 -0.0011 2788 PRO 72 CG 0.0101 0.0106 -0.0007 2789 PRO 72 CD 0.0111 0.0098 -0.0001 2790 PRO 72 HA 0.0091 0.0110 -0.0011 2791 PRO 72 HB3 0.0081 0.0112 -0.0015 2792 PRO 72 HB2 0.0082 0.0093 -0.0010 2793 PRO 72 HG3 0.0104 0.0117 -0.0009 2794 PRO 72 HG2 0.0099 0.0102 -0.0006 2795 PRO 72 HD2 0.0110 0.0087 0.0002 2796 PRO 72 HD3 0.0121 0.0103 0.0001 2797 CYS 73 N 0.0011 0.0094 0.0000 2798 CYS 73 CA -0.0002 0.0089 0.0008 2799 CYS 73 C 0.0001 0.0090 0.0001 2800 CYS 73 O 0.0007 0.0092 -0.0015 2801 CYS 73 CB -0.0020 0.0081 0.0003 2802 CYS 73 SG -0.0025 0.0078 -0.0021 2803 CYS 73 H 0.0011 0.0093 -0.0013 2804 CYS 73 HA -0.0001 0.0090 0.0023 2805 CYS 73 HB3 -0.0022 0.0080 0.0010 2806 CYS 73 HB2 -0.0029 0.0077 0.0010 2807 CYS 74 N -0.0004 0.0088 0.0012 2808 CYS 74 CA -0.0003 0.0088 0.0006 2809 CYS 74 C -0.0018 0.0081 -0.0006 2810 CYS 74 O -0.0032 0.0075 0.0000 2811 CYS 74 CB -0.0003 0.0088 0.0023 2812 CYS 74 SG -0.0000 0.0090 0.0018 2813 CYS 74 H -0.0008 0.0087 0.0025 2814 CYS 74 HA 0.0009 0.0093 -0.0001 2815 CYS 74 HB3 -0.0015 0.0084 0.0030 2816 CYS 74 HB2 0.0006 0.0093 0.0033 2817 THR 75 N -0.0032 0.0056 0.0011 2818 THR 75 CA -0.0040 0.0054 0.0003 2819 THR 75 C -0.0039 0.0055 -0.0004 2820 THR 75 O -0.0031 0.0057 -0.0005 2821 THR 75 CB -0.0041 0.0055 -0.0004 2822 THR 75 OG1 -0.0051 0.0053 -0.0009 2823 THR 75 CG2 -0.0032 0.0057 -0.0013 2824 THR 75 H -0.0024 0.0057 0.0009 2825 THR 75 HA -0.0048 0.0053 0.0007 2826 THR 75 HB -0.0039 0.0055 0.0001 2827 THR 75 HG1 -0.0053 0.0052 -0.0009 2828 THR 75 HG21 -0.0033 0.0057 -0.0018 2829 THR 75 HG22 -0.0024 0.0058 -0.0009 2830 THR 75 HG23 -0.0034 0.0057 -0.0018 2831 PRO 76 N -0.0048 0.0053 -0.0009 2832 PRO 76 CA -0.0047 0.0054 -0.0016 2833 PRO 76 C -0.0040 0.0056 -0.0025 2834 PRO 76 O -0.0041 0.0056 -0.0031 2835 PRO 76 CB -0.0059 0.0052 -0.0019 2836 PRO 76 CG -0.0065 0.0050 -0.0010 2837 PRO 76 CD -0.0059 0.0051 -0.0007 2838 PRO 76 HA -0.0044 0.0054 -0.0011 2839 PRO 76 HB3 -0.0060 0.0052 -0.0020 2840 PRO 76 HB2 -0.0060 0.0052 -0.0027 2841 PRO 76 HG3 -0.0066 0.0049 -0.0004 2842 PRO 76 HG2 -0.0073 0.0049 -0.0014 2843 PRO 76 HD2 -0.0061 0.0051 -0.0012 2844 PRO 76 HD3 -0.0060 0.0050 0.0002 2845 THR 77 N -0.0038 0.0096 -0.0047 2846 THR 77 CA -0.0029 0.0107 -0.0061 2847 THR 77 C -0.0044 0.0113 -0.0069 2848 THR 77 O -0.0040 0.0123 -0.0082 2849 THR 77 CB -0.0011 0.0103 -0.0057 2850 THR 77 OG1 -0.0017 0.0094 -0.0045 2851 THR 77 CG2 0.0006 0.0098 -0.0051 2852 THR 77 H -0.0042 0.0089 -0.0038 2853 THR 77 HA -0.0024 0.0113 -0.0069 2854 THR 77 HB -0.0006 0.0111 -0.0067 2855 THR 77 HG1 -0.0022 0.0087 -0.0036 2856 THR 77 HG21 0.0018 0.0095 -0.0048 2857 THR 77 HG22 0.0011 0.0105 -0.0060 2858 THR 77 HG23 0.0001 0.0090 -0.0040 2859 LYS 78 N -0.0061 0.0108 -0.0062 2860 LYS 78 CA -0.0078 0.0114 -0.0070 2861 LYS 78 C -0.0097 0.0110 -0.0063 2862 LYS 78 O -0.0100 0.0099 -0.0049 2863 LYS 78 CB -0.0077 0.0112 -0.0067 2864 LYS 78 CG -0.0092 0.0120 -0.0076 2865 LYS 78 CD -0.0092 0.0117 -0.0074 2866 LYS 78 CE -0.0109 0.0124 -0.0082 2867 LYS 78 NZ -0.0109 0.0122 -0.0079 2868 LYS 78 H -0.0063 0.0099 -0.0051 2869 LYS 78 HA -0.0077 0.0124 -0.0082 2870 LYS 78 HB3 -0.0079 0.0103 -0.0055 2871 LYS 78 HB2 -0.0062 0.0115 -0.0070 2872 LYS 78 HG3 -0.0090 0.0129 -0.0089 2873 LYS 78 HG2 -0.0107 0.0117 -0.0073 2874 LYS 78 HD3 -0.0093 0.0108 -0.0061 2875 LYS 78 HD2 -0.0078 0.0120 -0.0078 2876 LYS 78 HE3 -0.0108 0.0134 -0.0094 2877 LYS 78 HE2 -0.0123 0.0121 -0.0078 2878 LYS 78 HZ1 -0.0110 0.0113 -0.0067 2879 LYS 78 HZ2 -0.0120 0.0126 -0.0084 2880 LYS 78 HZ3 -0.0096 0.0124 -0.0082 2881 MET 79 N -0.0073 0.0075 -0.0008 2882 MET 79 CA -0.0070 0.0067 -0.0011 2883 MET 79 C -0.0075 0.0069 -0.0015 2884 MET 79 O -0.0079 0.0076 -0.0012 2885 MET 79 CB -0.0061 0.0066 -0.0005 2886 MET 79 CG -0.0055 0.0065 -0.0001 2887 MET 79 SD -0.0051 0.0054 -0.0006 2888 MET 79 CE -0.0044 0.0048 -0.0004 2889 MET 79 H -0.0074 0.0081 -0.0005 2890 MET 79 HA -0.0069 0.0061 -0.0015 2891 MET 79 HB3 -0.0058 0.0061 -0.0007 2892 MET 79 HB2 -0.0061 0.0072 -0.0001 2893 MET 79 HG3 -0.0049 0.0067 0.0005 2894 MET 79 HG2 -0.0058 0.0070 0.0000 2895 MET 79 HE1 -0.0041 0.0042 -0.0007 2896 MET 79 HE2 -0.0039 0.0051 0.0002 2897 MET 79 HE3 -0.0047 0.0049 -0.0006 2898 SER 80 N -0.0076 0.0062 -0.0020 2899 SER 80 CA -0.0080 0.0062 -0.0023 2900 SER 80 C -0.0074 0.0057 -0.0022 2901 SER 80 O -0.0068 0.0050 -0.0022 2902 SER 80 CB -0.0088 0.0059 -0.0031 2903 SER 80 OG -0.0095 0.0065 -0.0032 2904 SER 80 H -0.0073 0.0056 -0.0022 2905 SER 80 HA -0.0083 0.0069 -0.0020 2906 SER 80 HB3 -0.0089 0.0057 -0.0034 2907 SER 80 HB2 -0.0086 0.0053 -0.0034 2908 SER 80 HG -0.0094 0.0066 -0.0031 2909 PRO 81 N 0.0006 0.0098 0.0028 2910 PRO 81 CA 0.0011 0.0092 0.0028 2911 PRO 81 C 0.0006 0.0082 0.0019 2912 PRO 81 O -0.0002 0.0082 0.0013 2913 PRO 81 CB 0.0009 0.0100 0.0032 2914 PRO 81 CG -0.0002 0.0108 0.0029 2915 PRO 81 CD -0.0003 0.0108 0.0028 2916 PRO 81 HA 0.0020 0.0088 0.0032 2917 PRO 81 HB3 0.0015 0.0105 0.0039 2918 PRO 81 HB2 0.0008 0.0096 0.0029 2919 PRO 81 HG3 -0.0003 0.0117 0.0034 2920 PRO 81 HG2 -0.0009 0.0105 0.0022 2921 PRO 81 HD2 -0.0011 0.0107 0.0022 2922 PRO 81 HD3 -0.0001 0.0116 0.0034 2923 ILE 82 N 0.0012 0.0075 0.0018 2924 ILE 82 CA 0.0007 0.0067 0.0010 2925 ILE 82 C 0.0009 0.0068 0.0012 2926 ILE 82 O 0.0017 0.0071 0.0019 2927 ILE 82 CB 0.0011 0.0055 0.0005 2928 ILE 82 CG1 0.0023 0.0050 0.0011 2929 ILE 82 CG2 0.0007 0.0054 0.0002 2930 ILE 82 CD1 0.0027 0.0037 0.0005 2931 ILE 82 H 0.0020 0.0074 0.0023 2932 ILE 82 HA -0.0002 0.0070 0.0006 2933 ILE 82 HB 0.0007 0.0050 -0.0001 2934 ILE 82 HG13 0.0025 0.0053 0.0014 2935 ILE 82 HG12 0.0027 0.0054 0.0016 2936 ILE 82 HG21 0.0010 0.0045 -0.0002 2937 ILE 82 HG22 -0.0001 0.0057 -0.0003 2938 ILE 82 HG23 0.0011 0.0059 0.0007 2939 ILE 82 HD11 0.0036 0.0034 0.0010 2940 ILE 82 HD12 0.0023 0.0034 0.0000 2941 ILE 82 HD13 0.0025 0.0035 0.0002 2942 ASN 83 N 0.0088 0.0104 -0.0046 2943 ASN 83 CA 0.0083 0.0091 -0.0055 2944 ASN 83 C 0.0080 0.0073 -0.0048 2945 ASN 83 O 0.0080 0.0069 -0.0046 2946 ASN 83 CB 0.0079 0.0094 -0.0075 2947 ASN 83 CG 0.0081 0.0112 -0.0082 2948 ASN 83 OD1 0.0082 0.0122 -0.0090 2949 ASN 83 ND2 0.0083 0.0116 -0.0080 2950 ASN 83 H 0.0088 0.0110 -0.0053 2951 ASN 83 HA 0.0084 0.0093 -0.0051 2952 ASN 83 HB3 0.0075 0.0083 -0.0081 2953 ASN 83 HB2 0.0077 0.0092 -0.0079 2954 ASN 83 HD22 0.0085 0.0128 -0.0085 2955 ASN 83 HD21 0.0082 0.0108 -0.0073 2956 MET 84 N 0.0078 0.0061 -0.0044 2957 MET 84 CA 0.0076 0.0043 -0.0037 2958 MET 84 C 0.0070 0.0029 -0.0046 2959 MET 84 O 0.0070 0.0032 -0.0051 2960 MET 84 CB 0.0080 0.0041 -0.0017 2961 MET 84 CG 0.0085 0.0054 -0.0007 2962 MET 84 SD 0.0090 0.0050 0.0017 2963 MET 84 CE 0.0086 0.0030 0.0020 2964 MET 84 H 0.0079 0.0065 -0.0045 2965 MET 84 HA 0.0074 0.0041 -0.0040 2966 MET 84 HB3 0.0078 0.0028 -0.0012 2967 MET 84 HB2 0.0081 0.0044 -0.0014 2968 MET 84 HG3 0.0087 0.0068 -0.0010 2969 MET 84 HG2 0.0084 0.0052 -0.0011 2970 MET 84 HE1 0.0088 0.0026 0.0034 2971 MET 84 HE2 0.0082 0.0020 0.0013 2972 MET 84 HE3 0.0085 0.0033 0.0015 2973 LEU 85 N 0.0082 0.0054 -0.0078 2974 LEU 85 CA 0.0064 0.0042 -0.0087 2975 LEU 85 C 0.0060 0.0028 -0.0069 2976 LEU 85 O 0.0061 0.0020 -0.0051 2977 LEU 85 CB 0.0049 0.0034 -0.0098 2978 LEU 85 CG 0.0031 0.0026 -0.0114 2979 LEU 85 CD1 0.0034 0.0040 -0.0135 2980 LEU 85 CD2 0.0017 0.0017 -0.0120 2981 LEU 85 H 0.0084 0.0049 -0.0066 2982 LEU 85 HA 0.0064 0.0050 -0.0100 2983 LEU 85 HB3 0.0047 0.0024 -0.0084 2984 LEU 85 HB2 0.0055 0.0044 -0.0105 2985 LEU 85 HG 0.0025 0.0016 -0.0106 2986 LEU 85 HD11 0.0020 0.0034 -0.0147 2987 LEU 85 HD12 0.0043 0.0046 -0.0131 2988 LEU 85 HD13 0.0040 0.0050 -0.0143 2989 LEU 85 HD21 0.0004 0.0011 -0.0132 2990 LEU 85 HD22 0.0023 0.0026 -0.0127 2991 LEU 85 HD23 0.0015 0.0006 -0.0105 2992 TYR 86 N 0.0056 0.0027 -0.0072 2993 TYR 86 CA 0.0055 0.0016 -0.0055 2994 TYR 86 C 0.0042 0.0009 -0.0063 2995 TYR 86 O 0.0037 0.0015 -0.0083 2996 TYR 86 CB 0.0074 0.0026 -0.0041 2997 TYR 86 CG 0.0084 0.0043 -0.0055 2998 TYR 86 CD1 0.0095 0.0059 -0.0065 2999 TYR 86 CD2 0.0082 0.0042 -0.0057 3000 TYR 86 CE1 0.0103 0.0074 -0.0078 3001 TYR 86 CE2 0.0090 0.0057 -0.0070 3002 TYR 86 CZ 0.0101 0.0073 -0.0081 3003 TYR 86 OH 0.0109 0.0087 -0.0093 3004 TYR 86 H 0.0054 0.0033 -0.0088 3005 TYR 86 HA 0.0049 0.0004 -0.0044 3006 TYR 86 HB3 0.0083 0.0030 -0.0033 3007 TYR 86 HB2 0.0073 0.0018 -0.0027 3008 TYR 86 HD1 0.0097 0.0059 -0.0064 3009 TYR 86 HD2 0.0073 0.0030 -0.0050 3010 TYR 86 HE1 0.0112 0.0086 -0.0086 3011 TYR 86 HE2 0.0088 0.0056 -0.0072 3012 TYR 86 HH 0.0111 0.0095 -0.0105 3013 PHE 87 N 0.0021 -0.0004 -0.0084 3014 PHE 87 CA 0.0018 -0.0004 -0.0087 3015 PHE 87 C 0.0030 0.0005 -0.0084 3016 PHE 87 O 0.0041 0.0003 -0.0074 3017 PHE 87 CB 0.0012 -0.0019 -0.0079 3018 PHE 87 CG -0.0002 -0.0028 -0.0083 3019 PHE 87 CD1 -0.0014 -0.0028 -0.0093 3020 PHE 87 CD2 -0.0003 -0.0038 -0.0076 3021 PHE 87 CE1 -0.0027 -0.0036 -0.0096 3022 PHE 87 CE2 -0.0015 -0.0046 -0.0079 3023 PHE 87 CZ -0.0027 -0.0046 -0.0089 3024 PHE 87 H 0.0025 -0.0011 -0.0076 3025 PHE 87 HA 0.0010 -0.0000 -0.0097 3026 PHE 87 HB3 0.0012 -0.0019 -0.0080 3027 PHE 87 HB2 0.0020 -0.0023 -0.0069 3028 PHE 87 HD1 -0.0013 -0.0020 -0.0098 3029 PHE 87 HD2 0.0007 -0.0038 -0.0068 3030 PHE 87 HE1 -0.0036 -0.0036 -0.0104 3031 PHE 87 HE2 -0.0016 -0.0054 -0.0073 3032 PHE 87 HZ -0.0038 -0.0052 -0.0091 3033 ASN 88 N 0.0029 0.0015 -0.0093 3034 ASN 88 CA 0.0040 0.0022 -0.0091 3035 ASN 88 C 0.0039 0.0014 -0.0085 3036 ASN 88 O 0.0030 0.0002 -0.0082 3037 ASN 88 CB 0.0040 0.0037 -0.0103 3038 ASN 88 CG 0.0026 0.0035 -0.0113 3039 ASN 88 OD1 0.0018 0.0024 -0.0110 3040 ASN 88 ND2 0.0024 0.0047 -0.0124 3041 ASN 88 H 0.0020 0.0016 -0.0102 3042 ASN 88 HA 0.0050 0.0024 -0.0085 3043 ASN 88 HB3 0.0041 0.0042 -0.0107 3044 ASN 88 HB2 0.0049 0.0043 -0.0101 3045 ASN 88 HD22 0.0016 0.0047 -0.0131 3046 ASN 88 HD21 0.0032 0.0056 -0.0125 3047 ASP 89 N -0.0104 -0.0002 -0.0192 3048 ASP 89 CA -0.0036 0.0008 -0.0199 3049 ASP 89 C 0.0067 0.0015 -0.0164 3050 ASP 89 O 0.0138 0.0031 -0.0199 3051 ASP 89 CB -0.0073 -0.0007 -0.0144 3052 ASP 89 CG -0.0157 -0.0008 -0.0197 3053 ASP 89 OD1 -0.0170 0.0008 -0.0284 3054 ASP 89 OD2 -0.0209 -0.0023 -0.0151 3055 ASP 89 H -0.0166 -0.0017 -0.0155 3056 ASP 89 HA -0.0033 0.0024 -0.0274 3057 ASP 89 HB3 -0.0015 -0.0002 -0.0133 3058 ASP 89 HB2 -0.0096 -0.0024 -0.0074 3059 LYS 90 N 0.0076 0.0002 -0.0095 3060 LYS 90 CA 0.0171 0.0007 -0.0058 3061 LYS 90 C 0.0214 0.0025 -0.0122 3062 LYS 90 O 0.0291 0.0030 -0.0099 3063 LYS 90 CB 0.0164 -0.0014 0.0044 3064 LYS 90 CG 0.0128 -0.0034 0.0116 3065 LYS 90 CD 0.0081 -0.0056 0.0197 3066 LYS 90 CE 0.0069 -0.0075 0.0285 3067 LYS 90 NZ 0.0059 -0.0094 0.0372 3068 LYS 90 H 0.0016 -0.0011 -0.0068 3069 LYS 90 HA 0.0219 0.0013 -0.0057 3070 LYS 90 HB3 0.0235 -0.0010 0.0068 3071 LYS 90 HB2 0.0118 -0.0020 0.0043 3072 LYS 90 HG3 0.0075 -0.0034 0.0082 3073 LYS 90 HG2 0.0189 -0.0031 0.0145 3074 LYS 90 HD3 0.0125 -0.0054 0.0216 3075 LYS 90 HD2 0.0010 -0.0060 0.0173 3076 LYS 90 HE3 0.0006 -0.0081 0.0275 3077 LYS 90 HE2 0.0133 -0.0069 0.0294 3078 LYS 90 HZ1 0.0118 -0.0088 0.0382 3079 LYS 90 HZ2 0.0051 -0.0106 0.0430 3080 LYS 90 HZ3 -0.0001 -0.0100 0.0364 3081 GLN 91 N 0.0055 0.0014 -0.0123 3082 GLN 91 CA 0.0064 0.0019 -0.0143 3083 GLN 91 C 0.0070 0.0018 -0.0148 3084 GLN 91 O 0.0083 0.0016 -0.0161 3085 GLN 91 CB 0.0079 0.0012 -0.0148 3086 GLN 91 CG 0.0073 0.0012 -0.0143 3087 GLN 91 CD 0.0059 0.0026 -0.0151 3088 GLN 91 OE1 0.0057 0.0036 -0.0165 3089 GLN 91 NE2 0.0050 0.0028 -0.0141 3090 GLN 91 H 0.0043 0.0020 -0.0119 3091 GLN 91 HA 0.0054 0.0029 -0.0150 3092 GLN 91 HB3 0.0084 0.0016 -0.0163 3093 GLN 91 HB2 0.0089 0.0001 -0.0142 3094 GLN 91 HG3 0.0085 0.0007 -0.0147 3095 GLN 91 HG2 0.0069 0.0007 -0.0128 3096 GLN 91 HE22 0.0040 0.0037 -0.0146 3097 GLN 91 HE21 0.0052 0.0020 -0.0130 3098 GLN 92 N 0.0061 0.0018 -0.0138 3099 GLN 92 CA 0.0065 0.0019 -0.0143 3100 GLN 92 C 0.0055 0.0033 -0.0157 3101 GLN 92 O 0.0041 0.0042 -0.0155 3102 GLN 92 CB 0.0060 0.0013 -0.0126 3103 GLN 92 CG 0.0069 -0.0002 -0.0112 3104 GLN 92 CD 0.0062 -0.0007 -0.0094 3105 GLN 92 OE1 0.0046 0.0001 -0.0088 3106 GLN 92 NE2 0.0073 -0.0019 -0.0086 3107 GLN 92 H 0.0052 0.0018 -0.0126 3108 GLN 92 HA 0.0078 0.0013 -0.0150 3109 GLN 92 HB3 0.0062 0.0014 -0.0130 3110 GLN 92 HB2 0.0046 0.0019 -0.0120 3111 GLN 92 HG3 0.0069 -0.0003 -0.0110 3112 GLN 92 HG2 0.0083 -0.0008 -0.0118 3113 GLN 92 HE22 0.0069 -0.0023 -0.0074 3114 GLN 92 HE21 0.0086 -0.0025 -0.0092 3115 ILE 93 N -0.0032 -0.0001 -0.0167 3116 ILE 93 CA -0.0028 0.0005 -0.0168 3117 ILE 93 C -0.0015 0.0037 -0.0178 3118 ILE 93 O -0.0025 0.0052 -0.0200 3119 ILE 93 CB -0.0051 -0.0007 -0.0184 3120 ILE 93 CG1 -0.0064 -0.0039 -0.0174 3121 ILE 93 CG2 -0.0047 0.0000 -0.0184 3122 ILE 93 CD1 -0.0090 -0.0051 -0.0192 3123 ILE 93 H -0.0048 -0.0007 -0.0180 3124 ILE 93 HA -0.0017 -0.0004 -0.0149 3125 ILE 93 HB -0.0063 0.0002 -0.0203 3126 ILE 93 HG13 -0.0064 -0.0044 -0.0170 3127 ILE 93 HG12 -0.0055 -0.0048 -0.0157 3128 ILE 93 HG21 -0.0063 -0.0009 -0.0196 3129 ILE 93 HG22 -0.0038 0.0023 -0.0192 3130 ILE 93 HG23 -0.0035 -0.0008 -0.0165 3131 ILE 93 HD11 -0.0098 -0.0074 -0.0184 3132 ILE 93 HD12 -0.0100 -0.0042 -0.0210 3133 ILE 93 HD13 -0.0091 -0.0047 -0.0196 3134 ILE 94 N 0.0006 0.0047 -0.0163 3135 ILE 94 CA 0.0021 0.0077 -0.0170 3136 ILE 94 C 0.0028 0.0085 -0.0168 3137 ILE 94 O 0.0036 0.0072 -0.0150 3138 ILE 94 CB 0.0043 0.0087 -0.0153 3139 ILE 94 CG1 0.0037 0.0080 -0.0154 3140 ILE 94 CG2 0.0058 0.0118 -0.0161 3141 ILE 94 CD1 0.0023 0.0094 -0.0180 3142 ILE 94 H 0.0013 0.0034 -0.0145 3143 ILE 94 HA 0.0010 0.0087 -0.0189 3144 ILE 94 HB 0.0054 0.0077 -0.0134 3145 ILE 94 HG13 0.0054 0.0086 -0.0141 3146 ILE 94 HG12 0.0027 0.0058 -0.0148 3147 ILE 94 HG21 0.0074 0.0125 -0.0149 3148 ILE 94 HG22 0.0064 0.0123 -0.0158 3149 ILE 94 HG23 0.0048 0.0130 -0.0180 3150 ILE 94 HD11 0.0020 0.0088 -0.0179 3151 ILE 94 HD12 0.0034 0.0117 -0.0186 3152 ILE 94 HD13 0.0006 0.0088 -0.0193 3153 TYR 95 N 0.0045 0.0031 -0.0121 3154 TYR 95 CA 0.0054 0.0046 -0.0121 3155 TYR 95 C 0.0061 0.0058 -0.0116 3156 TYR 95 O 0.0060 0.0058 -0.0123 3157 TYR 95 CB 0.0055 0.0050 -0.0139 3158 TYR 95 CG 0.0065 0.0067 -0.0142 3159 TYR 95 CD1 0.0067 0.0071 -0.0136 3160 TYR 95 CD2 0.0071 0.0078 -0.0150 3161 TYR 95 CE1 0.0076 0.0086 -0.0139 3162 TYR 95 CE2 0.0080 0.0093 -0.0152 3163 TYR 95 CZ 0.0082 0.0097 -0.0146 3164 TYR 95 OH 0.0091 0.0112 -0.0148 3165 TYR 95 H 0.0043 0.0027 -0.0132 3166 TYR 95 HA 0.0054 0.0046 -0.0111 3167 TYR 95 HB3 0.0054 0.0047 -0.0150 3168 TYR 95 HB2 0.0051 0.0042 -0.0142 3169 TYR 95 HD1 0.0063 0.0062 -0.0131 3170 TYR 95 HD2 0.0069 0.0075 -0.0154 3171 TYR 95 HE1 0.0078 0.0089 -0.0134 3172 TYR 95 HE2 0.0085 0.0102 -0.0158 3173 TYR 95 HH 0.0091 0.0113 -0.0144 3174 GLY 96 N 0.0067 0.0069 -0.0105 3175 GLY 96 CA 0.0074 0.0081 -0.0100 3176 GLY 96 C 0.0083 0.0096 -0.0092 3177 GLY 96 O 0.0082 0.0095 -0.0083 3178 GLY 96 H 0.0067 0.0069 -0.0100 3179 GLY 96 HA3 0.0072 0.0076 -0.0090 3180 GLY 96 HA2 0.0076 0.0085 -0.0111 3181 LYS 97 N 0.0031 0.0095 -0.0010 3182 LYS 97 CA 0.0022 0.0107 -0.0012 3183 LYS 97 C 0.0030 0.0107 0.0006 3184 LYS 97 O 0.0033 0.0113 0.0023 3185 LYS 97 CB 0.0009 0.0125 -0.0012 3186 LYS 97 CG -0.0004 0.0134 -0.0026 3187 LYS 97 CD -0.0016 0.0154 -0.0022 3188 LYS 97 CE -0.0012 0.0162 0.0000 3189 LYS 97 NZ -0.0023 0.0181 0.0005 3190 LYS 97 H 0.0030 0.0101 -0.0003 3191 LYS 97 HA 0.0020 0.0101 -0.0025 3192 LYS 97 HB3 0.0009 0.0134 0.0003 3193 LYS 97 HB2 0.0007 0.0125 -0.0017 3194 LYS 97 HG3 -0.0006 0.0128 -0.0042 3195 LYS 97 HG2 -0.0001 0.0131 -0.0024 3196 LYS 97 HD3 -0.0020 0.0157 -0.0027 3197 LYS 97 HD2 -0.0024 0.0160 -0.0030 3198 LYS 97 HE3 -0.0010 0.0162 0.0005 3199 LYS 97 HE2 -0.0003 0.0155 0.0009 3200 LYS 97 HZ1 -0.0025 0.0181 0.0001 3201 LYS 97 HZ2 -0.0020 0.0187 0.0020 3202 LYS 97 HZ3 -0.0032 0.0189 -0.0002 3203 ILE 98 N 0.0032 0.0101 0.0002 3204 ILE 98 CA 0.0040 0.0100 0.0017 3205 ILE 98 C 0.0031 0.0114 0.0020 3206 ILE 98 O 0.0025 0.0114 0.0008 3207 ILE 98 CB 0.0051 0.0081 0.0012 3208 ILE 98 CG1 0.0059 0.0066 0.0006 3209 ILE 98 CG2 0.0060 0.0079 0.0029 3210 ILE 98 CD1 0.0068 0.0065 0.0024 3211 ILE 98 H 0.0028 0.0097 -0.0013 3212 ILE 98 HA 0.0046 0.0101 0.0031 3213 ILE 98 HB 0.0045 0.0081 -0.0001 3214 ILE 98 HG13 0.0066 0.0054 0.0001 3215 ILE 98 HG12 0.0052 0.0068 -0.0006 3216 ILE 98 HG21 0.0067 0.0066 0.0025 3217 ILE 98 HG22 0.0053 0.0090 0.0032 3218 ILE 98 HG23 0.0065 0.0080 0.0042 3219 ILE 98 HD11 0.0073 0.0054 0.0019 3220 ILE 98 HD12 0.0075 0.0062 0.0036 3221 ILE 98 HD13 0.0061 0.0077 0.0029 3222 PRO 99 N -0.0018 0.0080 0.0050 3223 PRO 99 CA -0.0029 0.0075 0.0046 3224 PRO 99 C -0.0021 0.0065 0.0031 3225 PRO 99 O -0.0003 0.0064 0.0026 3226 PRO 99 CB -0.0027 0.0087 0.0061 3227 PRO 99 CG -0.0021 0.0097 0.0074 3228 PRO 99 CD -0.0008 0.0092 0.0065 3229 PRO 99 HA -0.0045 0.0072 0.0046 3230 PRO 99 HB3 -0.0042 0.0087 0.0066 3231 PRO 99 HB2 -0.0016 0.0086 0.0058 3232 PRO 99 HG3 -0.0034 0.0100 0.0081 3233 PRO 99 HG2 -0.0011 0.0104 0.0082 3234 PRO 99 HD2 0.0007 0.0093 0.0062 3235 PRO 99 HD3 -0.0010 0.0097 0.0072 3236 GLY 100 N -0.0034 0.0057 0.0024 3237 GLY 100 CA -0.0028 0.0048 0.0010 3238 GLY 100 C -0.0020 0.0038 -0.0006 3239 GLY 100 O -0.0006 0.0034 -0.0015 3240 GLY 100 H -0.0049 0.0058 0.0027 3241 GLY 100 HA3 -0.0017 0.0053 0.0014 3242 GLY 100 HA2 -0.0041 0.0045 0.0007 3243 MET 101 N -0.0005 0.0036 0.0041 3244 MET 101 CA 0.0000 0.0025 0.0029 3245 MET 101 C -0.0011 0.0016 0.0017 3246 MET 101 O -0.0005 0.0006 0.0006 3247 MET 101 CB 0.0000 0.0026 0.0030 3248 MET 101 CG 0.0015 0.0033 0.0039 3249 MET 101 SD 0.0036 0.0026 0.0031 3250 MET 101 CE 0.0034 0.0015 0.0018 3251 MET 101 H -0.0016 0.0040 0.0045 3252 MET 101 HA 0.0013 0.0023 0.0027 3253 MET 101 HB3 0.0001 0.0018 0.0020 3254 MET 101 HB2 -0.0012 0.0030 0.0034 3255 MET 101 HG3 0.0012 0.0035 0.0041 3256 MET 101 HG2 0.0015 0.0041 0.0048 3257 MET 101 HE1 0.0046 0.0010 0.0012 3258 MET 101 HE2 0.0031 0.0019 0.0022 3259 MET 101 HE3 0.0023 0.0010 0.0011 3260 VAL 102 N -0.0028 0.0018 0.0019 3261 VAL 102 CA -0.0040 0.0009 0.0009 3262 VAL 102 C -0.0047 0.0011 0.0011 3263 VAL 102 O -0.0052 0.0021 0.0022 3264 VAL 102 CB -0.0056 0.0009 0.0008 3265 VAL 102 CG1 -0.0069 0.0001 -0.0002 3266 VAL 102 CG2 -0.0049 0.0007 0.0005 3267 VAL 102 H -0.0032 0.0026 0.0028 3268 VAL 102 HA -0.0034 0.0001 -0.0001 3269 VAL 102 HB -0.0062 0.0018 0.0018 3270 VAL 102 HG11 -0.0079 0.0001 -0.0003 3271 VAL 102 HG12 -0.0074 0.0003 0.0000 3272 VAL 102 HG13 -0.0063 -0.0007 -0.0012 3273 VAL 102 HG21 -0.0060 0.0007 0.0005 3274 VAL 102 HG22 -0.0043 -0.0001 -0.0004 3275 VAL 102 HG23 -0.0040 0.0013 0.0013 3276 VAL 103 N -0.0096 0.0019 0.0001 3277 VAL 103 CA -0.0088 0.0032 0.0006 3278 VAL 103 C -0.0099 0.0039 -0.0004 3279 VAL 103 O -0.0106 0.0027 -0.0008 3280 VAL 103 CB -0.0075 0.0023 0.0019 3281 VAL 103 CG1 -0.0069 0.0036 0.0023 3282 VAL 103 CG2 -0.0064 0.0020 0.0029 3283 VAL 103 H -0.0096 0.0005 0.0002 3284 VAL 103 HA -0.0084 0.0045 0.0009 3285 VAL 103 HB -0.0079 0.0009 0.0017 3286 VAL 103 HG11 -0.0060 0.0029 0.0032 3287 VAL 103 HG12 -0.0078 0.0037 0.0015 3288 VAL 103 HG13 -0.0065 0.0050 0.0025 3289 VAL 103 HG21 -0.0055 0.0014 0.0038 3290 VAL 103 HG22 -0.0060 0.0035 0.0031 3291 VAL 103 HG23 -0.0068 0.0011 0.0027 3292 ASP 104 N -0.0100 0.0058 -0.0007 3293 ASP 104 CA -0.0110 0.0066 -0.0017 3294 ASP 104 C -0.0101 0.0071 -0.0010 3295 ASP 104 O -0.0107 0.0070 -0.0015 3296 ASP 104 CB -0.0117 0.0083 -0.0025 3297 ASP 104 CG -0.0126 0.0078 -0.0032 3298 ASP 104 OD1 -0.0132 0.0062 -0.0036 3299 ASP 104 OD2 -0.0127 0.0091 -0.0034 3300 ASP 104 H -0.0095 0.0067 -0.0003 3301 ASP 104 HA -0.0119 0.0054 -0.0023 3302 ASP 104 HB3 -0.0124 0.0089 -0.0032 3303 ASP 104 HB2 -0.0109 0.0095 -0.0019 3304 ARG 105 N -0.0091 0.0103 0.0007 3305 ARG 105 CA -0.0055 0.0097 0.0015 3306 ARG 105 C -0.0057 0.0098 0.0011 3307 ARG 105 O -0.0077 0.0103 -0.0012 3308 ARG 105 CB -0.0026 0.0095 -0.0012 3309 ARG 105 CG 0.0012 0.0089 -0.0009 3310 ARG 105 CD 0.0037 0.0088 -0.0038 3311 ARG 105 NE 0.0027 0.0090 -0.0044 3312 ARG 105 CZ 0.0031 0.0092 -0.0076 3313 ARG 105 NH1 0.0045 0.0092 -0.0105 3314 ARG 105 NH2 0.0021 0.0093 -0.0079 3315 ARG 105 H -0.0109 0.0107 -0.0009 3316 ARG 105 HA -0.0048 0.0094 0.0043 3317 ARG 105 HB3 -0.0036 0.0099 -0.0040 3318 ARG 105 HB2 -0.0025 0.0094 -0.0007 3319 ARG 105 HG3 0.0023 0.0085 0.0019 3320 ARG 105 HG2 0.0011 0.0090 -0.0015 3321 ARG 105 HD3 0.0066 0.0083 -0.0028 3322 ARG 105 HD2 0.0036 0.0090 -0.0064 3323 ARG 105 HE 0.0016 0.0090 -0.0022 3324 ARG 105 HH12 0.0049 0.0094 -0.0129 3325 ARG 105 HH11 0.0053 0.0091 -0.0103 3326 ARG 105 HH22 0.0025 0.0095 -0.0104 3327 ARG 105 HH21 0.0010 0.0093 -0.0057 3328 CYS 106 N -0.0037 0.0093 0.0035 3329 CYS 106 CA -0.0034 0.0092 0.0035 3330 CYS 106 C 0.0005 0.0087 0.0027 3331 CYS 106 O 0.0031 0.0082 0.0037 3332 CYS 106 CB -0.0047 0.0091 0.0073 3333 CYS 106 SG -0.0095 0.0097 0.0084 3334 CYS 106 H -0.0022 0.0089 0.0054 3335 CYS 106 HA -0.0052 0.0097 0.0014 3336 CYS 106 HB3 -0.0042 0.0090 0.0074 3337 CYS 106 HB2 -0.0030 0.0087 0.0095 3338 GLY 107 N -0.0009 0.0110 0.0008 3339 GLY 107 CA 0.0003 0.0109 0.0005 3340 GLY 107 C 0.0009 0.0109 0.0003 3341 GLY 107 O 0.0003 0.0111 0.0002 3342 GLY 107 H -0.0013 0.0112 0.0006 3343 GLY 107 HA3 0.0005 0.0112 -0.0001 3344 GLY 107 HA2 0.0007 0.0104 0.0011 3345 CYS 108 N 0.0020 0.0107 0.0001 3346 CYS 108 CA 0.0027 0.0108 -0.0002 3347 CYS 108 C 0.0030 0.0114 -0.0013 3348 CYS 108 O 0.0036 0.0115 -0.0017 3349 CYS 108 CB 0.0037 0.0102 0.0004 3350 CYS 108 SG 0.0034 0.0094 0.0017 3351 CYS 108 H 0.0025 0.0106 0.0002 3352 CYS 108 HA 0.0021 0.0107 0.0001 3353 CYS 108 HB3 0.0043 0.0102 0.0001 3354 CYS 108 HB2 0.0042 0.0102 0.0002 3355 SER 109 N 0.0019 0.0096 -0.0008 3356 SER 109 CA 0.0019 0.0097 -0.0016 3357 SER 109 C 0.0019 0.0096 -0.0002 3358 SER 109 O 0.0012 0.0087 0.0010 3359 SER 109 CB 0.0007 0.0088 -0.0029 3360 SER 109 OG 0.0006 0.0088 -0.0042 3361 SER 109 OXT 0.0026 0.0103 -0.0002 3362 SER 109 H 0.0012 0.0088 -0.0001 3363 SER 109 HA 0.0027 0.0107 -0.0023 3364 SER 109 HB3 0.0008 0.0089 -0.0036 3365 SER 109 HB2 -0.0001 0.0078 -0.0022 3366 SER 109 HG 0.0005 0.0087 -0.0035