1 ASN 3 N 0.0160 0.0066 0.0116 2 ASN 3 HN 0.0165 0.0063 0.0136 3 ASN 3 CA 0.0112 0.0063 0.0080 4 ASN 3 HA 0.0123 0.0070 0.0048 5 ASN 3 CB 0.0094 0.0064 0.0054 6 ASN 3 HB1 0.0058 0.0062 0.0027 7 ASN 3 HB2 0.0086 0.0057 0.0087 8 ASN 3 CG 0.0140 0.0078 0.0018 9 ASN 3 OD1 0.0143 0.0087 -0.0030 10 ASN 3 ND2 0.0174 0.0081 0.0040 11 ASN 3 HD21 0.0205 0.0090 0.0017 12 ASN 3 HD22 0.0175 0.0074 0.0082 13 ASN 3 C 0.0063 0.0049 0.0109 14 ASN 3 O 0.0064 0.0041 0.0159 15 ARG 4 N -0.0037 0.0011 0.0141 16 ARG 4 HN -0.0037 0.0009 0.0127 17 ARG 4 CA -0.0050 -0.0009 0.0135 18 ARG 4 HA -0.0047 -0.0003 0.0149 19 ARG 4 CB -0.0048 -0.0012 0.0098 20 ARG 4 HB1 -0.0056 -0.0024 0.0095 21 ARG 4 HB2 -0.0054 -0.0023 0.0083 22 ARG 4 CG -0.0027 0.0016 0.0081 23 ARG 4 HG1 -0.0028 0.0010 0.0054 24 ARG 4 HG2 -0.0019 0.0027 0.0081 25 ARG 4 CD -0.0016 0.0034 0.0098 26 ARG 4 HD1 -0.0015 0.0040 0.0124 27 ARG 4 HD2 -0.0024 0.0023 0.0098 28 ARG 4 NE 0.0003 0.0059 0.0077 29 ARG 4 HE 0.0004 0.0057 0.0054 30 ARG 4 CZ 0.0019 0.0083 0.0088 31 ARG 4 NH1 0.0020 0.0089 0.0119 32 ARG 4 HH11 0.0008 0.0075 0.0135 33 ARG 4 HH12 0.0032 0.0108 0.0127 34 ARG 4 NH2 0.0035 0.0103 0.0067 35 ARG 4 HH21 0.0047 0.0122 0.0075 36 ARG 4 HH22 0.0035 0.0099 0.0044 37 ARG 4 C -0.0071 -0.0038 0.0145 38 ARG 4 O -0.0084 -0.0055 0.0149 39 ALA 5 N -0.0007 0.0007 0.0069 40 ALA 5 HN -0.0004 0.0002 0.0065 41 ALA 5 CA -0.0014 0.0013 0.0064 42 ALA 5 HA -0.0017 0.0018 0.0070 43 ALA 5 CB -0.0015 0.0013 0.0057 44 ALA 5 HB1 -0.0021 0.0019 0.0053 45 ALA 5 HB2 -0.0015 0.0014 0.0061 46 ALA 5 HB3 -0.0012 0.0008 0.0051 47 ALA 5 C -0.0015 0.0014 0.0060 48 ALA 5 O -0.0011 0.0008 0.0056 49 PHE 6 N -0.0048 0.0024 0.0042 50 PHE 6 HN -0.0056 0.0034 0.0047 51 PHE 6 CA -0.0050 0.0025 0.0035 52 PHE 6 HA -0.0041 0.0014 0.0027 53 PHE 6 CB -0.0051 0.0030 0.0055 54 PHE 6 HB1 -0.0056 0.0035 0.0050 55 PHE 6 HB2 -0.0058 0.0039 0.0066 56 PHE 6 CG -0.0037 0.0014 0.0066 57 PHE 6 CD1 -0.0030 0.0009 0.0081 58 PHE 6 HD1 -0.0036 0.0016 0.0085 59 PHE 6 CE1 -0.0016 -0.0007 0.0090 60 PHE 6 HE1 -0.0011 -0.0011 0.0101 61 PHE 6 CZ -0.0009 -0.0016 0.0085 62 PHE 6 HZ 0.0002 -0.0028 0.0092 63 PHE 6 CD2 -0.0030 0.0005 0.0062 64 PHE 6 HD2 -0.0035 0.0009 0.0051 65 PHE 6 CE2 -0.0016 -0.0010 0.0071 66 PHE 6 HE2 -0.0010 -0.0017 0.0067 67 PHE 6 C -0.0063 0.0038 0.0018 68 PHE 6 O -0.0073 0.0050 0.0017 69 LYS 7 N -0.0075 0.0078 -0.0076 70 LYS 7 HN -0.0068 0.0057 -0.0078 71 LYS 7 CA -0.0066 0.0097 -0.0097 72 LYS 7 HA -0.0075 0.0118 -0.0093 73 LYS 7 CB -0.0053 0.0100 -0.0118 74 LYS 7 HB1 -0.0060 0.0109 -0.0112 75 LYS 7 HB2 -0.0046 0.0115 -0.0134 76 LYS 7 CG -0.0039 0.0071 -0.0127 77 LYS 7 HG1 -0.0034 0.0059 -0.0129 78 LYS 7 HG2 -0.0045 0.0058 -0.0113 79 LYS 7 CD -0.0023 0.0075 -0.0152 80 LYS 7 HD1 -0.0027 0.0085 -0.0150 81 LYS 7 HD2 -0.0020 0.0092 -0.0164 82 LYS 7 CE -0.0007 0.0049 -0.0165 83 LYS 7 HE1 0.0004 0.0055 -0.0185 84 LYS 7 HE2 -0.0005 0.0039 -0.0165 85 LYS 7 NZ -0.0009 0.0027 -0.0154 86 LYS 7 HZ1 -0.0007 0.0033 -0.0159 87 LYS 7 HZ2 -0.0021 0.0025 -0.0134 88 LYS 7 HZ3 0.0000 0.0007 -0.0159 89 LYS 7 C -0.0057 0.0090 -0.0108 90 LYS 7 O -0.0053 0.0065 -0.0104 91 SER 8 N -0.0053 -0.0006 -0.0106 92 SER 8 HN -0.0061 0.0014 -0.0116 93 SER 8 CA -0.0047 -0.0018 -0.0102 94 SER 8 HA -0.0032 -0.0038 -0.0095 95 SER 8 CB -0.0074 -0.0018 -0.0085 96 SER 8 HB1 -0.0085 -0.0030 -0.0069 97 SER 8 HB2 -0.0068 -0.0027 -0.0081 98 SER 8 OG -0.0093 0.0009 -0.0092 99 SER 8 HG1 -0.0099 0.0017 -0.0094 100 SER 8 C -0.0031 -0.0002 -0.0123 101 SER 8 O -0.0031 0.0021 -0.0140 102 HIS 9 N -0.0013 -0.0007 -0.0237 103 HIS 9 HN -0.0013 -0.0035 -0.0213 104 HIS 9 CA 0.0014 -0.0005 -0.0218 105 HIS 9 HA 0.0038 -0.0029 -0.0179 106 HIS 9 CB -0.0028 -0.0032 -0.0228 107 HIS 9 HB1 -0.0008 -0.0031 -0.0212 108 HIS 9 HB2 -0.0058 -0.0013 -0.0267 109 HIS 9 CD2 -0.0114 -0.0116 -0.0222 110 HIS 9 HD2 -0.0147 -0.0102 -0.0259 111 HIS 9 CG -0.0060 -0.0089 -0.0204 112 HIS 9 NE2 -0.0118 -0.0167 -0.0182 113 HIS 9 HE2 -0.0151 -0.0197 -0.0182 114 HIS 9 ND1 -0.0032 -0.0121 -0.0155 115 HIS 9 HD1 0.0008 -0.0112 -0.0132 116 HIS 9 CE1 -0.0068 -0.0168 -0.0143 117 HIS 9 HE1 -0.0060 -0.0203 -0.0106 118 HIS 9 C 0.0058 0.0049 -0.0230 119 HIS 9 O 0.0101 0.0070 -0.0215 120 HIS 10 N 0.0156 0.0515 -0.0590 121 HIS 10 HN 0.0426 0.0341 -0.0628 122 HIS 10 CA -0.0069 0.0468 -0.0191 123 HIS 10 HA -0.0353 0.0652 -0.0154 124 HIS 10 CB 0.0085 0.0186 0.0139 125 HIS 10 HB1 -0.0101 0.0161 0.0441 126 HIS 10 HB2 0.0362 -0.0006 0.0126 127 HIS 10 CD2 0.0430 -0.0012 0.0046 128 HIS 10 HD2 0.0719 -0.0183 -0.0023 129 HIS 10 CG 0.0123 0.0175 0.0107 130 HIS 10 NE2 0.0305 0.0044 0.0109 131 HIS 10 HE2 0.0458 -0.0061 0.0100 132 HIS 10 ND1 -0.0189 0.0346 0.0208 133 HIS 10 HD1 -0.0453 0.0501 0.0273 134 HIS 10 CE1 -0.0070 0.0262 0.0205 135 HIS 10 HE1 -0.0248 0.0352 0.0278 136 HIS 10 C -0.0064 0.0424 -0.0114 137 HIS 10 O -0.0196 0.0341 0.0227 138 GLY 11 N -0.0004 0.0226 -0.0306 139 GLY 11 HN 0.0005 0.0237 -0.0327 140 GLY 11 CA -0.0014 0.0208 -0.0259 141 GLY 11 HA1 -0.0024 0.0197 -0.0240 142 GLY 11 HA2 -0.0038 0.0193 -0.0266 143 GLY 11 C 0.0019 0.0223 -0.0226 144 GLY 11 O 0.0013 0.0209 -0.0188 145 HIS 12 N 0.0023 0.0011 -0.0223 146 HIS 12 HN 0.0020 0.0012 -0.0221 147 HIS 12 CA 0.0014 0.0014 -0.0219 148 HIS 12 HA 0.0013 0.0014 -0.0227 149 HIS 12 CB 0.0002 0.0018 -0.0215 150 HIS 12 HB1 -0.0003 0.0019 -0.0211 151 HIS 12 HB2 0.0003 0.0017 -0.0208 152 HIS 12 CD2 -0.0017 0.0025 -0.0227 153 HIS 12 HD2 -0.0023 0.0027 -0.0222 154 HIS 12 CG -0.0005 0.0021 -0.0225 155 HIS 12 NE2 -0.0019 0.0027 -0.0238 156 HIS 12 HE2 -0.0027 0.0030 -0.0242 157 HIS 12 ND1 -0.0000 0.0020 -0.0235 158 HIS 12 HD1 0.0008 0.0017 -0.0236 159 HIS 12 CE1 -0.0009 0.0023 -0.0242 160 HIS 12 HE1 -0.0008 0.0023 -0.0251 161 HIS 12 C 0.0019 0.0011 -0.0209 162 HIS 12 O 0.0025 0.0009 -0.0200 163 PHE 13 N 0.0019 0.0034 -0.0031 164 PHE 13 HN 0.0017 0.0036 -0.0033 165 PHE 13 CA 0.0023 0.0033 -0.0026 166 PHE 13 HA 0.0026 0.0030 -0.0025 167 PHE 13 CB 0.0025 0.0031 -0.0027 168 PHE 13 HB1 0.0028 0.0029 -0.0023 169 PHE 13 HB2 0.0022 0.0034 -0.0026 170 PHE 13 CG 0.0026 0.0028 -0.0033 171 PHE 13 CD1 0.0030 0.0024 -0.0034 172 PHE 13 HD1 0.0032 0.0023 -0.0031 173 PHE 13 CE1 0.0032 0.0021 -0.0040 174 PHE 13 HE1 0.0035 0.0018 -0.0041 175 PHE 13 CZ 0.0029 0.0022 -0.0045 176 PHE 13 HZ 0.0030 0.0019 -0.0050 177 PHE 13 CD2 0.0024 0.0028 -0.0038 178 PHE 13 HD2 0.0021 0.0032 -0.0037 179 PHE 13 CE2 0.0025 0.0026 -0.0044 180 PHE 13 HE2 0.0023 0.0026 -0.0048 181 PHE 13 C 0.0021 0.0036 -0.0019 182 PHE 13 O 0.0017 0.0040 -0.0019 183 LEU 14 N -0.0021 0.0007 0.0072 184 LEU 14 HN -0.0023 0.0005 0.0072 185 LEU 14 CA -0.0025 0.0003 0.0073 186 LEU 14 HA -0.0020 0.0005 0.0071 187 LEU 14 CB -0.0027 -0.0007 0.0069 188 LEU 14 HB1 -0.0030 -0.0010 0.0069 189 LEU 14 HB2 -0.0032 -0.0009 0.0071 190 LEU 14 CG -0.0019 -0.0011 0.0064 191 LEU 14 HG -0.0017 -0.0009 0.0063 192 LEU 14 CD1 -0.0021 -0.0021 0.0060 193 LEU 14 HD11 -0.0024 -0.0024 0.0060 194 LEU 14 HD12 -0.0016 -0.0024 0.0056 195 LEU 14 HD13 -0.0027 -0.0023 0.0062 196 LEU 14 CD2 -0.0011 -0.0008 0.0061 197 LEU 14 HD21 -0.0009 -0.0001 0.0063 198 LEU 14 HD22 -0.0006 -0.0012 0.0057 199 LEU 14 HD23 -0.0013 -0.0010 0.0061 200 LEU 14 C -0.0033 0.0007 0.0078 201 LEU 14 O -0.0039 0.0008 0.0081 202 SER 15 N 0.0063 0.0078 0.0093 203 SER 15 HN 0.0046 0.0074 0.0103 204 SER 15 CA 0.0059 0.0076 0.0073 205 SER 15 HA 0.0078 0.0080 0.0071 206 SER 15 CB 0.0050 0.0073 0.0046 207 SER 15 HB1 0.0045 0.0071 0.0033 208 SER 15 HB2 0.0033 0.0069 0.0049 209 SER 15 OG 0.0071 0.0077 0.0034 210 SER 15 HG1 0.0081 0.0080 0.0048 211 SER 15 C 0.0040 0.0072 0.0083 212 SER 15 O 0.0022 0.0069 0.0098 213 ALA 16 N 0.0046 0.0121 -0.0013 214 ALA 16 HN 0.0051 0.0136 -0.0025 215 ALA 16 CA 0.0021 0.0105 -0.0011 216 ALA 16 HA 0.0018 0.0090 0.0003 217 ALA 16 CB 0.0023 0.0103 -0.0008 218 ALA 16 HB1 0.0040 0.0099 0.0008 219 ALA 16 HB2 0.0025 0.0118 -0.0022 220 ALA 16 HB3 0.0005 0.0090 -0.0005 221 ALA 16 C -0.0002 0.0110 -0.0032 222 ALA 16 O -0.0002 0.0128 -0.0051 223 GLU 17 N 0.0110 0.0083 -0.0054 224 GLU 17 HN 0.0012 0.0155 0.0136 225 GLU 17 CA -0.0062 0.0049 -0.0210 226 GLU 17 HA 0.0096 -0.0014 -0.0349 227 GLU 17 CB -0.0350 0.0014 -0.0404 228 GLU 17 HB1 -0.0517 0.0018 -0.0445 229 GLU 17 HB2 -0.0475 0.0070 -0.0273 230 GLU 17 CG -0.0277 -0.0098 -0.0720 231 GLU 17 HG1 -0.0119 -0.0108 -0.0700 232 GLU 17 HG2 -0.0163 -0.0155 -0.0858 233 GLU 17 CD -0.0585 -0.0119 -0.0881 234 GLU 17 OE1 -0.0595 -0.0170 -0.1038 235 GLU 17 OE2 -0.0836 -0.0074 -0.0820 236 GLU 17 C -0.0200 0.0137 0.0016 237 GLU 17 O -0.0367 0.0221 0.0217 238 GLY 18 N -0.0053 0.0283 0.0193 239 GLY 18 HN -0.0146 0.0216 0.0399 240 GLY 18 CA 0.0040 0.0442 0.0273 241 GLY 18 HA1 0.0213 0.0673 0.0213 242 GLY 18 HA2 -0.0031 0.0433 0.0555 243 GLY 18 C -0.0009 0.0303 0.0063 244 GLY 18 O -0.0188 0.0068 0.0137 245 GLU 19 N -0.0086 0.0345 0.0362 246 GLU 19 HN 0.0133 0.0408 0.0439 247 GLU 19 CA -0.0090 0.0165 0.0066 248 GLU 19 HA -0.0326 0.0106 -0.0001 249 GLU 19 CB 0.0159 0.0112 -0.0053 250 GLU 19 HB1 0.0159 -0.0027 -0.0282 251 GLU 19 HB2 0.0404 0.0169 0.0009 252 GLU 19 CG 0.0089 0.0161 0.0036 253 GLU 19 HG1 0.0092 0.0298 0.0262 254 GLU 19 HG2 -0.0149 0.0098 -0.0036 255 GLU 19 CD 0.0338 0.0103 -0.0091 256 GLU 19 OE1 0.0436 -0.0039 -0.0339 257 GLU 19 OE2 0.0430 0.0200 0.0057 258 GLU 19 C -0.0002 0.0092 -0.0066 259 GLU 19 O 0.0051 -0.0056 -0.0316 260 ALA 20 N -0.0038 0.0034 0.0064 261 ALA 20 HN -0.0046 0.0065 0.0082 262 ALA 20 CA -0.0004 0.0027 0.0085 263 ALA 20 HA -0.0010 0.0003 0.0061 264 ALA 20 CB 0.0050 0.0002 0.0107 265 ALA 20 HB1 0.0076 -0.0007 0.0121 266 ALA 20 HB2 0.0054 -0.0033 0.0084 267 ALA 20 HB3 0.0059 0.0026 0.0133 268 ALA 20 C -0.0010 0.0074 0.0117 269 ALA 20 O -0.0037 0.0115 0.0128 270 VAL 21 N 0.0012 0.0018 0.0132 271 VAL 21 HN 0.0021 0.0002 0.0126 272 VAL 21 CA 0.0006 0.0042 0.0154 273 VAL 21 HA -0.0004 0.0059 0.0160 274 VAL 21 CB -0.0009 0.0052 0.0144 275 VAL 21 HB 0.0003 0.0036 0.0141 276 VAL 21 CG1 -0.0017 0.0079 0.0167 277 VAL 21 HG11 -0.0001 0.0077 0.0189 278 VAL 21 HG12 -0.0028 0.0095 0.0170 279 VAL 21 HG13 -0.0027 0.0085 0.0159 280 VAL 21 CG2 -0.0031 0.0056 0.0114 281 VAL 21 HG21 -0.0043 0.0064 0.0107 282 VAL 21 HG22 -0.0042 0.0070 0.0115 283 VAL 21 HG23 -0.0026 0.0036 0.0096 284 VAL 21 C 0.0030 0.0035 0.0182 285 VAL 21 O 0.0047 0.0013 0.0179 286 LYS 22 N 0.0044 0.0007 0.0244 287 LYS 22 HN 0.0030 0.0027 0.0244 288 LYS 22 CA 0.0057 -0.0011 0.0288 289 LYS 22 HA 0.0066 -0.0024 0.0287 290 LYS 22 CB 0.0077 -0.0041 0.0300 291 LYS 22 HB1 0.0091 -0.0062 0.0270 292 LYS 22 HB2 0.0089 -0.0058 0.0331 293 LYS 22 CG 0.0066 -0.0024 0.0306 294 LYS 22 HG1 0.0062 -0.0016 0.0344 295 LYS 22 HG2 0.0047 0.0003 0.0287 296 LYS 22 CD 0.0083 -0.0051 0.0289 297 LYS 22 HD1 0.0071 -0.0032 0.0292 298 LYS 22 HD2 0.0087 -0.0058 0.0252 299 LYS 22 CE 0.0109 -0.0088 0.0318 300 LYS 22 HE1 0.0123 -0.0109 0.0312 301 LYS 22 HE2 0.0105 -0.0080 0.0356 302 LYS 22 NZ 0.0121 -0.0106 0.0305 303 LYS 22 HZ1 0.0136 -0.0128 0.0326 304 LYS 22 HZ2 0.0125 -0.0115 0.0270 305 LYS 22 HZ3 0.0106 -0.0084 0.0306 306 LYS 22 C 0.0037 0.0021 0.0325 307 LYS 22 O 0.0016 0.0052 0.0320 308 THR 23 N 0.0026 -0.0053 0.0171 309 THR 23 HN 0.0020 -0.0016 0.0158 310 THR 23 CA 0.0019 -0.0092 0.0131 311 THR 23 HA 0.0025 -0.0133 0.0142 312 THR 23 CB 0.0005 -0.0082 0.0076 313 THR 23 HB -0.0001 -0.0040 0.0062 314 THR 23 OG1 0.0006 -0.0087 0.0077 315 THR 23 HG1 -0.0004 -0.0076 0.0042 316 THR 23 CG2 -0.0002 -0.0125 0.0034 317 THR 23 HG21 -0.0012 -0.0119 -0.0004 318 THR 23 HG22 -0.0005 -0.0120 0.0025 319 THR 23 HG23 0.0004 -0.0167 0.0048 320 THR 23 C 0.0018 -0.0088 0.0126 321 THR 23 O 0.0015 -0.0043 0.0129 322 HIS 24 N 0.0088 -0.0047 0.0064 323 HIS 24 HN 0.0096 -0.0053 0.0066 324 HIS 24 CA 0.0085 -0.0033 0.0053 325 HIS 24 HA 0.0079 -0.0028 0.0051 326 HIS 24 CB 0.0073 -0.0030 0.0055 327 HIS 24 HB1 0.0079 -0.0036 0.0058 328 HIS 24 HB2 0.0062 -0.0033 0.0062 329 HIS 24 CD2 0.0065 -0.0011 0.0041 330 HIS 24 HD2 0.0066 -0.0015 0.0045 331 HIS 24 CG 0.0068 -0.0016 0.0045 332 HIS 24 NE2 0.0060 0.0002 0.0032 333 HIS 24 HE2 0.0055 0.0009 0.0027 334 HIS 24 ND1 0.0065 -0.0007 0.0037 335 HIS 24 HD1 0.0066 -0.0008 0.0038 336 HIS 24 CE1 0.0060 0.0004 0.0030 337 HIS 24 HE1 0.0056 0.0014 0.0023 338 HIS 24 C 0.0100 -0.0029 0.0042 339 HIS 24 O 0.0111 -0.0035 0.0043 340 HIS 25 N 0.0151 -0.0032 -0.0071 341 HIS 25 HN 0.0162 -0.0005 -0.0064 342 HIS 25 CA 0.0136 -0.0058 -0.0090 343 HIS 25 HA 0.0124 -0.0072 -0.0114 344 HIS 25 CB 0.0139 -0.0033 -0.0106 345 HIS 25 HB1 0.0138 -0.0012 -0.0133 346 HIS 25 HB2 0.0128 -0.0054 -0.0118 347 HIS 25 CD2 0.0162 -0.0016 -0.0052 348 HIS 25 HD2 0.0155 -0.0042 -0.0048 349 HIS 25 CG 0.0157 -0.0009 -0.0076 350 HIS 25 NE2 0.0180 0.0019 -0.0031 351 HIS 25 HE2 0.0189 0.0022 -0.0010 352 HIS 25 ND1 0.0171 0.0030 -0.0071 353 HIS 25 HD1 0.0172 0.0043 -0.0085 354 HIS 25 CE1 0.0185 0.0045 -0.0043 355 HIS 25 HE1 0.0199 0.0075 -0.0032 356 HIS 25 C 0.0134 -0.0093 -0.0059 357 HIS 25 O 0.0120 -0.0125 -0.0072 358 GLY 26 N 0.0064 -0.0039 -0.0014 359 GLY 26 HN 0.0086 -0.0040 -0.0028 360 GLY 26 CA 0.0051 -0.0041 0.0003 361 GLY 26 HA1 0.0025 -0.0032 -0.0004 362 GLY 26 HA2 0.0068 -0.0043 -0.0005 363 GLY 26 C 0.0050 -0.0052 0.0041 364 GLY 26 O 0.0068 -0.0062 0.0056 365 HIS 27 N 0.0004 -0.0086 0.0078 366 HIS 27 HN 0.0031 -0.0103 0.0106 367 HIS 27 CA 0.0020 -0.0030 -0.0010 368 HIS 27 HA 0.0090 -0.0021 -0.0018 369 HIS 27 CB 0.0025 -0.0002 -0.0052 370 HIS 27 HB1 0.0040 0.0041 -0.0118 371 HIS 27 HB2 -0.0045 -0.0008 -0.0048 372 HIS 27 CD2 0.0101 -0.0049 0.0027 373 HIS 27 HD2 0.0039 -0.0062 0.0042 374 HIS 27 CG 0.0104 -0.0023 -0.0015 375 HIS 27 NE2 0.0195 -0.0060 0.0050 376 HIS 27 HE2 0.0217 -0.0082 0.0085 377 HIS 27 ND1 0.0199 -0.0016 -0.0019 378 HIS 27 HD1 0.0223 0.0002 -0.0046 379 HIS 27 CE1 0.0251 -0.0040 0.0021 380 HIS 27 HE1 0.0329 -0.0043 0.0031 381 HIS 27 C -0.0057 -0.0009 -0.0047 382 HIS 27 O -0.0140 -0.0027 -0.0025 383 HIS 28 N -0.0359 -0.0005 -0.0039 384 HIS 28 HN -0.0463 -0.0076 -0.0044 385 HIS 28 CA -0.0088 -0.0102 -0.0001 386 HIS 28 HA -0.0067 -0.0234 0.0012 387 HIS 28 CB -0.0033 -0.0284 0.0019 388 HIS 28 HB1 -0.0161 -0.0461 0.0019 389 HIS 28 HB2 0.0176 -0.0355 0.0048 390 HIS 28 CD2 -0.0251 -0.0269 -0.0006 391 HIS 28 HD2 -0.0392 -0.0433 -0.0009 392 HIS 28 CG -0.0082 -0.0174 0.0005 393 HIS 28 NE2 -0.0226 -0.0125 -0.0014 394 HIS 28 HE2 -0.0326 -0.0153 -0.0023 395 HIS 28 ND1 0.0054 0.0032 0.0004 396 HIS 28 HD1 0.0196 0.0144 0.0011 397 HIS 28 CE1 -0.0042 0.0054 -0.0008 398 HIS 28 HE1 0.0022 0.0211 -0.0014 399 HIS 28 C 0.0141 0.0093 0.0009 400 HIS 28 O 0.0351 0.0015 0.0038 401 ASP 29 N -0.0052 0.0147 -0.0159 402 ASP 29 HN -0.0050 0.0144 -0.0156 403 ASP 29 CA -0.0053 0.0145 -0.0166 404 ASP 29 HA -0.0052 0.0144 -0.0169 405 ASP 29 CB -0.0050 0.0140 -0.0168 406 ASP 29 HB1 -0.0050 0.0139 -0.0173 407 ASP 29 HB2 -0.0050 0.0141 -0.0165 408 ASP 29 CG -0.0046 0.0134 -0.0165 409 ASP 29 OD1 -0.0043 0.0130 -0.0164 410 ASP 29 OD2 -0.0045 0.0134 -0.0164 411 ASP 29 C -0.0057 0.0151 -0.0170 412 ASP 29 O -0.0059 0.0155 -0.0167 413 HIS 30 N 0.0021 -0.0110 0.0139 414 HIS 30 HN 0.0025 -0.0155 0.0100 415 HIS 30 CA -0.0015 -0.0039 0.0089 416 HIS 30 HA -0.0022 0.0021 0.0136 417 HIS 30 CB -0.0046 -0.0010 0.0003 418 HIS 30 HB1 -0.0073 0.0046 -0.0031 419 HIS 30 HB2 -0.0040 -0.0070 -0.0049 420 HIS 30 CD2 -0.0044 -0.0012 0.0008 421 HIS 30 HD2 -0.0036 -0.0073 -0.0035 422 HIS 30 CG -0.0049 0.0024 0.0032 423 HIS 30 NE2 -0.0052 0.0048 0.0052 424 HIS 30 HE2 -0.0049 0.0041 0.0052 425 HIS 30 ND1 -0.0061 0.0105 0.0088 426 HIS 30 HD1 -0.0067 0.0146 0.0114 427 HIS 30 CE1 -0.0062 0.0117 0.0099 428 HIS 30 HE1 -0.0069 0.0174 0.0142 429 HIS 30 C -0.0012 -0.0076 0.0052 430 HIS 30 O 0.0005 -0.0156 0.0019 431 HIS 31 N 0.0007 0.0023 0.0084 432 HIS 31 HN 0.0013 0.0008 0.0078 433 HIS 31 CA 0.0008 0.0021 0.0084 434 HIS 31 HA 0.0003 0.0038 0.0075 435 HIS 31 CB 0.0018 -0.0001 0.0066 436 HIS 31 HB1 0.0019 -0.0005 0.0068 437 HIS 31 HB2 0.0023 -0.0018 0.0073 438 HIS 31 CD2 0.0024 0.0001 0.0024 439 HIS 31 HD2 0.0025 -0.0006 0.0030 440 HIS 31 CG 0.0020 0.0005 0.0038 441 HIS 31 NE2 0.0025 0.0008 -0.0002 442 HIS 31 HE2 0.0028 0.0008 -0.0017 443 HIS 31 ND1 0.0020 0.0014 0.0021 444 HIS 31 HD1 0.0018 0.0018 0.0026 445 HIS 31 CE1 0.0023 0.0015 -0.0002 446 HIS 31 HE1 0.0023 0.0022 -0.0020 447 HIS 31 C 0.0006 0.0016 0.0110 448 HIS 31 O 0.0006 0.0005 0.0129 449 THR 32 N -0.0012 0.0002 0.0036 450 THR 32 HN -0.0010 0.0006 0.0028 451 THR 32 CA -0.0012 0.0004 0.0028 452 THR 32 HA -0.0008 0.0004 0.0038 453 THR 32 CB -0.0003 0.0016 0.0013 454 THR 32 HB -0.0008 0.0017 0.0002 455 THR 32 OG1 0.0012 0.0025 0.0020 456 THR 32 HG1 0.0012 0.0021 0.0030 457 THR 32 CG2 -0.0003 0.0019 0.0005 458 THR 32 HG21 0.0005 0.0028 -0.0005 459 THR 32 HG22 -0.0014 0.0013 -0.0001 460 THR 32 HG23 0.0002 0.0019 0.0017 461 THR 32 C -0.0029 -0.0005 0.0020 462 THR 32 O -0.0037 -0.0007 0.0009 463 HIS 33 N -0.0011 -0.0052 0.0034 464 HIS 33 HN -0.0010 -0.0049 0.0042 465 HIS 33 CA -0.0034 -0.0061 0.0023 466 HIS 33 HA -0.0035 -0.0062 0.0019 467 HIS 33 CB -0.0056 -0.0063 0.0040 468 HIS 33 HB1 -0.0073 -0.0070 0.0030 469 HIS 33 HB2 -0.0055 -0.0061 0.0045 470 HIS 33 CD2 -0.0045 -0.0052 0.0071 471 HIS 33 HD2 -0.0029 -0.0049 0.0062 472 HIS 33 CG -0.0058 -0.0057 0.0063 473 HIS 33 NE2 -0.0054 -0.0048 0.0094 474 HIS 33 HE2 -0.0048 -0.0044 0.0105 475 HIS 33 ND1 -0.0076 -0.0058 0.0080 476 HIS 33 HD1 -0.0089 -0.0062 0.0079 477 HIS 33 CE1 -0.0073 -0.0052 0.0098 478 HIS 33 HE1 -0.0084 -0.0051 0.0115 479 HIS 33 C -0.0033 -0.0066 0.0000 480 HIS 33 O -0.0029 -0.0065 -0.0000 481 PHE 34 N -0.0056 -0.0025 0.0037 482 PHE 34 HN -0.0062 -0.0028 0.0033 483 PHE 34 CA -0.0054 -0.0018 0.0028 484 PHE 34 HA -0.0045 -0.0012 0.0032 485 PHE 34 CB -0.0056 -0.0013 0.0013 486 PHE 34 HB1 -0.0055 -0.0009 0.0006 487 PHE 34 HB2 -0.0065 -0.0019 0.0009 488 PHE 34 CG -0.0047 -0.0004 0.0012 489 PHE 34 CD1 -0.0035 0.0006 0.0013 490 PHE 34 HD1 -0.0033 0.0007 0.0015 491 PHE 34 CE1 -0.0027 0.0014 0.0012 492 PHE 34 HE1 -0.0018 0.0021 0.0013 493 PHE 34 CZ -0.0030 0.0013 0.0010 494 PHE 34 HZ -0.0023 0.0019 0.0009 495 PHE 34 CD2 -0.0049 -0.0005 0.0010 496 PHE 34 HD2 -0.0058 -0.0013 0.0009 497 PHE 34 CE2 -0.0041 0.0003 0.0009 498 PHE 34 HE2 -0.0043 0.0002 0.0007 499 PHE 34 C -0.0061 -0.0025 0.0028 500 PHE 34 O -0.0072 -0.0034 0.0025 501 HIS 35 N 0.0001 -0.0095 -0.0067 502 HIS 35 HN 0.0016 -0.0085 -0.0064 503 HIS 35 CA -0.0004 -0.0099 -0.0066 504 HIS 35 HA -0.0020 -0.0111 -0.0067 505 HIS 35 CB 0.0011 -0.0105 -0.0046 506 HIS 35 HB1 0.0009 -0.0106 -0.0046 507 HIS 35 HB2 0.0027 -0.0094 -0.0044 508 HIS 35 CD2 0.0016 -0.0126 -0.0017 509 HIS 35 HD2 0.0028 -0.0116 -0.0018 510 HIS 35 CG 0.0008 -0.0123 -0.0029 511 HIS 35 NE2 0.0009 -0.0145 -0.0002 512 HIS 35 HE2 0.0013 -0.0151 0.0009 513 HIS 35 ND1 -0.0005 -0.0140 -0.0020 514 HIS 35 HD1 -0.0013 -0.0142 -0.0024 515 HIS 35 CE1 -0.0003 -0.0153 -0.0004 516 HIS 35 HE1 -0.0011 -0.0168 0.0006 517 HIS 35 C -0.0004 -0.0083 -0.0084 518 HIS 35 O 0.0012 -0.0068 -0.0088 519 VAL 36 N 0.0006 0.0014 -0.0072 520 VAL 36 HN -0.0009 0.0002 -0.0068 521 VAL 36 CA 0.0003 0.0050 -0.0085 522 VAL 36 HA 0.0008 0.0061 -0.0089 523 VAL 36 CB -0.0034 0.0061 -0.0089 524 VAL 36 HB -0.0040 0.0050 -0.0085 525 VAL 36 CG1 -0.0036 0.0099 -0.0102 526 VAL 36 HG11 -0.0019 0.0108 -0.0106 527 VAL 36 HG12 -0.0028 0.0111 -0.0107 528 VAL 36 HG13 -0.0064 0.0106 -0.0105 529 VAL 36 CG2 -0.0061 0.0049 -0.0084 530 VAL 36 HG21 -0.0057 0.0060 -0.0088 531 VAL 36 HG22 -0.0061 0.0021 -0.0074 532 VAL 36 HG23 -0.0088 0.0056 -0.0086 533 VAL 36 C 0.0030 0.0063 -0.0090 534 VAL 36 O 0.0032 0.0052 -0.0086 535 GLU 37 N 0.0027 -0.0026 -0.0067 536 GLU 37 HN 0.0000 0.0035 -0.0081 537 GLU 37 CA 0.0126 -0.0000 -0.0019 538 GLU 37 HA 0.0151 -0.0072 -0.0006 539 GLU 37 CB 0.0208 0.0020 0.0022 540 GLU 37 HB1 0.0189 0.0098 0.0011 541 GLU 37 HB2 0.0203 -0.0056 0.0020 542 GLU 37 CG 0.0320 0.0028 0.0077 543 GLU 37 HG1 0.0337 -0.0047 0.0086 544 GLU 37 HG2 0.0333 0.0108 0.0082 545 GLU 37 CD 0.0396 0.0027 0.0115 546 GLU 37 OE1 0.0407 0.0117 0.0119 547 GLU 37 OE2 0.0441 -0.0066 0.0137 548 GLU 37 C 0.0118 0.0105 -0.0024 549 GLU 37 O 0.0069 0.0190 -0.0048 550 ASN 38 N 0.0035 0.0046 -0.0029 551 ASN 38 HN 0.0043 0.0024 -0.0015 552 ASN 38 CA 0.0025 0.0110 -0.0069 553 ASN 38 HA -0.0007 0.0125 -0.0075 554 ASN 38 CB -0.0019 0.0131 -0.0077 555 ASN 38 HB1 -0.0074 0.0121 -0.0064 556 ASN 38 HB2 -0.0018 0.0179 -0.0109 557 ASN 38 CG 0.0007 0.0100 -0.0060 558 ASN 38 OD1 0.0064 0.0107 -0.0072 559 ASN 38 ND2 -0.0037 0.0064 -0.0031 560 ASN 38 HD21 -0.0021 0.0045 -0.0021 561 ASN 38 HD22 -0.0085 0.0059 -0.0022 562 ASN 38 C 0.0092 0.0142 -0.0099 563 ASN 38 O 0.0149 0.0121 -0.0092 564 HIS 39 N 0.0034 -0.0074 -0.0024 565 HIS 39 HN -0.0015 -0.0081 -0.0095 566 HIS 39 CA 0.0085 0.0032 0.0003 567 HIS 39 HA 0.0130 0.0017 0.0078 568 HIS 39 CB 0.0108 0.0121 -0.0003 569 HIS 39 HB1 0.0136 0.0207 -0.0001 570 HIS 39 HB2 0.0062 0.0122 -0.0074 571 HIS 39 CD2 0.0142 0.0041 0.0086 572 HIS 39 HD2 0.0093 -0.0003 0.0032 573 HIS 39 CG 0.0156 0.0095 0.0080 574 HIS 39 NE2 0.0205 0.0047 0.0178 575 HIS 39 HE2 0.0214 0.0004 0.0210 576 HIS 39 ND1 0.0226 0.0138 0.0167 577 HIS 39 HD1 0.0250 0.0183 0.0183 578 HIS 39 CE1 0.0253 0.0105 0.0223 579 HIS 39 HE1 0.0309 0.0122 0.0299 580 HIS 39 C 0.0055 0.0081 -0.0065 581 HIS 39 O 0.0067 0.0183 -0.0094 582 GLY 40 N 0.0225 -0.0210 0.0284 583 GLY 40 HN 0.0129 -0.0637 0.0455 584 GLY 40 CA 0.0023 0.0004 -0.0143 585 GLY 40 HA1 0.0232 0.0455 -0.0178 586 GLY 40 HA2 -0.0056 -0.0278 -0.0050 587 GLY 40 C -0.0388 -0.0041 -0.0671 588 GLY 40 O -0.0633 -0.0466 -0.0702 589 GLY 41 N 0.0085 -0.0295 0.0492 590 GLY 41 HN 0.0324 0.0012 0.0437 591 GLY 41 CA -0.0249 -0.0288 -0.0076 592 GLY 41 HA1 -0.0199 0.0042 -0.0479 593 GLY 41 HA2 -0.0637 -0.0692 -0.0126 594 GLY 41 C -0.0162 -0.0185 -0.0082 595 GLY 41 O -0.0501 -0.0323 -0.0445 596 LYS 42 N -0.0040 -0.0117 0.0015 597 LYS 42 HN -0.0159 -0.0129 0.0023 598 LYS 42 CA -0.0041 -0.0013 -0.0065 599 LYS 42 HA 0.0099 0.0018 -0.0088 600 LYS 42 CB -0.0128 -0.0075 -0.0018 601 LYS 42 HB1 -0.0165 0.0017 -0.0089 602 LYS 42 HB2 -0.0257 -0.0133 0.0026 603 LYS 42 CG 0.0002 -0.0173 0.0059 604 LYS 42 HG1 0.0043 -0.0266 0.0131 605 LYS 42 HG2 0.0130 -0.0109 0.0010 606 LYS 42 CD -0.0070 -0.0222 0.0096 607 LYS 42 HD1 0.0045 -0.0269 0.0133 608 LYS 42 HD2 -0.0112 -0.0123 0.0019 609 LYS 42 CE -0.0231 -0.0328 0.0176 610 LYS 42 HE1 -0.0276 -0.0352 0.0194 611 LYS 42 HE2 -0.0347 -0.0284 0.0141 612 LYS 42 NZ -0.0176 -0.0466 0.0283 613 LYS 42 HZ1 -0.0280 -0.0542 0.0341 614 LYS 42 HZ2 -0.0060 -0.0505 0.0314 615 LYS 42 HZ3 -0.0146 -0.0448 0.0269 616 LYS 42 C -0.0129 0.0125 -0.0172 617 LYS 42 O -0.0260 0.0121 -0.0170 618 VAL 43 N -0.0059 0.0086 -0.0080 619 VAL 43 HN -0.0049 0.0086 -0.0076 620 VAL 43 CA -0.0066 0.0101 -0.0096 621 VAL 43 HA -0.0072 0.0102 -0.0099 622 VAL 43 CB -0.0050 0.0116 -0.0103 623 VAL 43 HB -0.0057 0.0127 -0.0115 624 VAL 43 CG1 -0.0032 0.0117 -0.0097 625 VAL 43 HG11 -0.0021 0.0129 -0.0103 626 VAL 43 HG12 -0.0038 0.0116 -0.0098 627 VAL 43 HG13 -0.0024 0.0107 -0.0086 628 VAL 43 CG2 -0.0042 0.0118 -0.0101 629 VAL 43 HG21 -0.0030 0.0129 -0.0106 630 VAL 43 HG22 -0.0036 0.0107 -0.0090 631 VAL 43 HG23 -0.0055 0.0119 -0.0107 632 VAL 43 C -0.0084 0.0100 -0.0102 633 VAL 43 O -0.0087 0.0090 -0.0094 634 ALA 44 N -0.0036 0.0088 -0.0031 635 ALA 44 HN -0.0017 0.0072 -0.0031 636 ALA 44 CA -0.0051 0.0094 -0.0036 637 ALA 44 HA -0.0072 0.0111 -0.0036 638 ALA 44 CB -0.0031 0.0100 -0.0017 639 ALA 44 HB1 -0.0026 0.0118 0.0003 640 ALA 44 HB2 -0.0010 0.0082 -0.0017 641 ALA 44 HB3 -0.0043 0.0105 -0.0020 642 ALA 44 C -0.0055 0.0068 -0.0063 643 ALA 44 O -0.0038 0.0045 -0.0070 644 LEU 45 N -0.0063 0.0089 -0.0078 645 LEU 45 HN -0.0069 0.0094 -0.0075 646 LEU 45 CA -0.0067 0.0077 -0.0087 647 LEU 45 HA -0.0061 0.0073 -0.0089 648 LEU 45 CB -0.0083 0.0078 -0.0089 649 LEU 45 HB1 -0.0087 0.0069 -0.0096 650 LEU 45 HB2 -0.0089 0.0083 -0.0086 651 LEU 45 CG -0.0088 0.0085 -0.0085 652 LEU 45 HG -0.0084 0.0094 -0.0078 653 LEU 45 CD1 -0.0104 0.0086 -0.0087 654 LEU 45 HD11 -0.0107 0.0091 -0.0084 655 LEU 45 HD12 -0.0109 0.0091 -0.0084 656 LEU 45 HD13 -0.0108 0.0077 -0.0094 657 LEU 45 CD2 -0.0081 0.0078 -0.0089 658 LEU 45 HD21 -0.0079 0.0068 -0.0095 659 LEU 45 HD22 -0.0070 0.0081 -0.0085 660 LEU 45 HD23 -0.0087 0.0080 -0.0089 661 LEU 45 C -0.0065 0.0071 -0.0091 662 LEU 45 O -0.0070 0.0075 -0.0089 663 LYS 46 N -0.0030 0.0035 -0.0063 664 LYS 46 HN -0.0013 0.0005 -0.0072 665 LYS 46 CA -0.0003 -0.0001 -0.0071 666 LYS 46 HA -0.0037 0.0030 -0.0068 667 LYS 46 CB 0.0089 0.0001 -0.0038 668 LYS 46 HB1 0.0100 0.0063 -0.0004 669 LYS 46 HB2 0.0102 -0.0013 -0.0040 670 LYS 46 CG 0.0151 -0.0053 -0.0043 671 LYS 46 HG1 0.0145 -0.0115 -0.0075 672 LYS 46 HG2 0.0136 -0.0043 -0.0044 673 LYS 46 CD 0.0238 -0.0037 -0.0006 674 LYS 46 HD1 0.0242 0.0023 0.0025 675 LYS 46 HD2 0.0246 -0.0037 -0.0003 676 LYS 46 CE 0.0306 -0.0094 -0.0010 677 LYS 46 HE1 0.0307 -0.0154 -0.0038 678 LYS 46 HE2 0.0298 -0.0097 -0.0013 679 LYS 46 NZ 0.0386 -0.0068 0.0031 680 LYS 46 HZ1 0.0393 -0.0023 0.0055 681 LYS 46 HZ2 0.0435 -0.0111 0.0027 682 LYS 46 HZ3 0.0387 -0.0043 0.0043 683 LYS 46 C -0.0022 -0.0083 -0.0117 684 LYS 46 O -0.0031 -0.0122 -0.0139 685 THR 47 N 0.0015 -0.0009 -0.0052 686 THR 47 HN 0.0015 0.0009 -0.0042 687 THR 47 CA 0.0012 -0.0023 -0.0063 688 THR 47 HA 0.0006 -0.0032 -0.0081 689 THR 47 CB 0.0005 -0.0004 -0.0067 690 THR 47 HB 0.0002 -0.0015 -0.0079 691 THR 47 OG1 0.0014 0.0007 -0.0045 692 THR 47 HG1 0.0007 0.0020 -0.0050 693 THR 47 CG2 -0.0008 0.0020 -0.0080 694 THR 47 HG21 -0.0005 0.0032 -0.0068 695 THR 47 HG22 -0.0014 0.0032 -0.0084 696 THR 47 HG23 -0.0015 0.0012 -0.0097 697 THR 47 C 0.0026 -0.0045 -0.0049 698 THR 47 O 0.0037 -0.0048 -0.0029 699 HIS 48 N 0.0024 -0.0049 -0.0005 700 HIS 48 HN 0.0013 -0.0045 -0.0029 701 HIS 48 CA 0.0034 -0.0079 0.0022 702 HIS 48 HA 0.0035 -0.0105 0.0028 703 HIS 48 CB 0.0024 -0.0097 0.0002 704 HIS 48 HB1 0.0012 -0.0113 -0.0024 705 HIS 48 HB2 0.0032 -0.0120 0.0022 706 HIS 48 CD2 0.0027 -0.0057 0.0004 707 HIS 48 HD2 0.0036 -0.0074 0.0027 708 HIS 48 CG 0.0021 -0.0063 -0.0009 709 HIS 48 NE2 0.0020 -0.0023 -0.0017 710 HIS 48 HE2 0.0021 -0.0011 -0.0016 711 HIS 48 ND1 0.0010 -0.0034 -0.0039 712 HIS 48 HD1 0.0003 -0.0032 -0.0054 713 HIS 48 CE1 0.0009 -0.0010 -0.0043 714 HIS 48 HE1 0.0002 0.0016 -0.0063 715 HIS 48 C 0.0051 -0.0060 0.0060 716 HIS 48 O 0.0063 -0.0081 0.0090 717 CYS 49 N -0.0039 -0.0050 0.0041 718 CYS 49 HN 0.0011 -0.0016 -0.0058 719 CYS 49 CA -0.0063 0.0039 0.0171 720 CYS 49 HA -0.0108 0.0020 0.0271 721 CYS 49 CB 0.0001 0.0212 0.0148 722 CYS 49 HB1 0.0045 0.0232 0.0053 723 CYS 49 HB2 0.0022 0.0237 0.0115 724 CYS 49 SG -0.0024 0.0344 0.0312 725 CYS 49 HG1 -0.0065 0.0260 0.0349 726 CYS 49 C -0.0087 -0.0011 0.0194 727 CYS 49 O -0.0109 0.0051 0.0297 728 GLY 50 N 0.0071 -0.0093 -0.0128 729 GLY 50 HN 0.0057 -0.0098 -0.0131 730 GLY 50 CA 0.0090 -0.0059 -0.0108 731 GLY 50 HA1 0.0120 -0.0062 -0.0111 732 GLY 50 HA2 0.0091 -0.0048 -0.0102 733 GLY 50 C 0.0067 -0.0034 -0.0093 734 GLY 50 O 0.0084 -0.0009 -0.0078 735 LYS 51 N -0.0014 0.0015 -0.0070 736 LYS 51 HN -0.0018 0.0007 -0.0082 737 LYS 51 CA -0.0034 0.0025 -0.0057 738 LYS 51 HA -0.0029 0.0030 -0.0048 739 LYS 51 CB -0.0057 0.0017 -0.0069 740 LYS 51 HB1 -0.0072 0.0024 -0.0059 741 LYS 51 HB2 -0.0064 0.0012 -0.0076 742 LYS 51 CG -0.0054 0.0006 -0.0086 743 LYS 51 HG1 -0.0071 -0.0001 -0.0096 744 LYS 51 HG2 -0.0039 -0.0002 -0.0096 745 LYS 51 CD -0.0051 0.0011 -0.0078 746 LYS 51 HD1 -0.0035 0.0017 -0.0068 747 LYS 51 HD2 -0.0067 0.0017 -0.0069 748 LYS 51 CE -0.0047 -0.0001 -0.0095 749 LYS 51 HE1 -0.0062 -0.0009 -0.0107 750 LYS 51 HE2 -0.0029 -0.0006 -0.0102 751 LYS 51 NZ -0.0049 0.0004 -0.0088 752 LYS 51 HZ1 -0.0045 -0.0004 -0.0099 753 LYS 51 HZ2 -0.0067 0.0008 -0.0083 754 LYS 51 HZ3 -0.0038 0.0012 -0.0075 755 LYS 51 C -0.0038 0.0035 -0.0042 756 LYS 51 O -0.0038 0.0031 -0.0048 757 TYR 52 N -0.0028 0.0024 -0.0081 758 TYR 52 HN -0.0034 0.0038 -0.0061 759 TYR 52 CA -0.0025 0.0045 -0.0046 760 TYR 52 HA 0.0000 0.0024 -0.0064 761 TYR 52 CB 0.0009 0.0073 0.0016 762 TYR 52 HB1 0.0001 0.0095 0.0044 763 TYR 52 HB2 -0.0009 0.0091 0.0032 764 TYR 52 CG 0.0080 0.0051 0.0019 765 TYR 52 CD1 0.0107 0.0030 0.0001 766 TYR 52 HD1 0.0077 0.0029 -0.0017 767 TYR 52 CE1 0.0173 0.0010 0.0005 768 TYR 52 HE1 0.0193 -0.0007 -0.0009 769 TYR 52 CZ 0.0213 0.0011 0.0029 770 TYR 52 OH 0.0280 -0.0011 0.0031 771 TYR 52 HH 0.0300 -0.0004 0.0052 772 TYR 52 CD2 0.0121 0.0052 0.0043 773 TYR 52 HD2 0.0102 0.0069 0.0058 774 TYR 52 CE2 0.0187 0.0032 0.0048 775 TYR 52 HE2 0.0218 0.0034 0.0066 776 TYR 52 C -0.0091 0.0069 -0.0045 777 TYR 52 O -0.0135 0.0089 -0.0038 778 LEU 53 N -0.0095 0.0056 -0.0072 779 LEU 53 HN -0.0093 0.0070 -0.0070 780 LEU 53 CA -0.0091 0.0044 -0.0055 781 LEU 53 HA -0.0093 0.0033 -0.0055 782 LEU 53 CB -0.0085 0.0055 -0.0037 783 LEU 53 HB1 -0.0082 0.0045 -0.0024 784 LEU 53 HB2 -0.0083 0.0068 -0.0037 785 LEU 53 CG -0.0083 0.0061 -0.0033 786 LEU 53 HG -0.0085 0.0048 -0.0034 787 LEU 53 CD1 -0.0085 0.0077 -0.0045 788 LEU 53 HD11 -0.0083 0.0081 -0.0041 789 LEU 53 HD12 -0.0089 0.0073 -0.0060 790 LEU 53 HD13 -0.0083 0.0090 -0.0044 791 LEU 53 CD2 -0.0076 0.0066 -0.0012 792 LEU 53 HD21 -0.0075 0.0054 -0.0002 793 LEU 53 HD22 -0.0075 0.0070 -0.0009 794 LEU 53 HD23 -0.0074 0.0079 -0.0010 795 LEU 53 C -0.0093 0.0032 -0.0055 796 LEU 53 O -0.0093 0.0040 -0.0059 797 SER 54 N -0.0049 -0.0053 -0.0062 798 SER 54 HN -0.0052 -0.0056 -0.0064 799 SER 54 CA -0.0053 -0.0066 -0.0053 800 SER 54 HA -0.0048 -0.0062 -0.0048 801 SER 54 CB -0.0067 -0.0076 -0.0064 802 SER 54 HB1 -0.0073 -0.0080 -0.0069 803 SER 54 HB2 -0.0068 -0.0068 -0.0075 804 SER 54 OG -0.0071 -0.0088 -0.0056 805 SER 54 HG1 -0.0068 -0.0084 -0.0056 806 SER 54 C -0.0052 -0.0075 -0.0040 807 SER 54 O -0.0053 -0.0075 -0.0041 808 ILE 55 N -0.0073 -0.0055 -0.0031 809 ILE 55 HN -0.0088 -0.0070 -0.0040 810 ILE 55 CA -0.0039 -0.0065 -0.0031 811 ILE 55 HA -0.0026 -0.0045 -0.0020 812 ILE 55 CB -0.0022 -0.0083 -0.0037 813 ILE 55 HB -0.0032 -0.0106 -0.0049 814 ILE 55 CG2 -0.0029 -0.0067 -0.0030 815 ILE 55 HG21 -0.0021 -0.0043 -0.0019 816 ILE 55 HG22 -0.0056 -0.0066 -0.0034 817 ILE 55 HG23 -0.0015 -0.0079 -0.0034 818 ILE 55 CG1 0.0016 -0.0088 -0.0034 819 ILE 55 HG11 0.0021 -0.0105 -0.0041 820 ILE 55 HG12 0.0027 -0.0096 -0.0036 821 ILE 55 CD 0.0033 -0.0059 -0.0018 822 ILE 55 HD1 0.0026 -0.0052 -0.0016 823 ILE 55 HD2 0.0027 -0.0040 -0.0010 824 ILE 55 HD3 0.0060 -0.0063 -0.0017 825 ILE 55 C -0.0038 -0.0081 -0.0038 826 ILE 55 O -0.0013 -0.0092 -0.0040 827 GLY 56 N -0.0088 -0.0152 -0.0076 828 GLY 56 HN -0.0071 -0.0156 -0.0080 829 GLY 56 CA -0.0102 -0.0146 -0.0070 830 GLY 56 HA1 -0.0110 -0.0154 -0.0085 831 GLY 56 HA2 -0.0087 -0.0144 -0.0063 832 GLY 56 C -0.0122 -0.0135 -0.0054 833 GLY 56 O -0.0119 -0.0126 -0.0037 834 ASP 57 N -0.0403 -0.0164 -0.0111 835 ASP 57 HN -0.0326 -0.0222 0.0001 836 ASP 57 CA -0.0395 0.0104 -0.0214 837 ASP 57 HA -0.0410 0.0182 -0.0265 838 ASP 57 CB -0.0206 0.0253 -0.0065 839 ASP 57 HB1 -0.0194 0.0459 -0.0138 840 ASP 57 HB2 -0.0189 0.0173 -0.0011 841 ASP 57 CG -0.0042 0.0240 0.0126 842 ASP 57 OD1 -0.0069 0.0157 0.0131 843 ASP 57 OD2 0.0113 0.0325 0.0264 844 ASP 57 C -0.0544 0.0147 -0.0400 845 ASP 57 O -0.0538 0.0360 -0.0483 846 HIS 58 N -0.0229 0.0001 -0.0041 847 HIS 58 HN -0.0210 0.0042 -0.0056 848 HIS 58 CA -0.0222 -0.0013 -0.0010 849 HIS 58 HA -0.0227 -0.0049 0.0028 850 HIS 58 CB -0.0254 -0.0029 -0.0054 851 HIS 58 HB1 -0.0253 0.0005 -0.0097 852 HIS 58 HB2 -0.0286 -0.0069 -0.0066 853 HIS 58 CD2 -0.0247 -0.0014 -0.0059 854 HIS 58 HD2 -0.0248 0.0017 -0.0102 855 HIS 58 CG -0.0249 -0.0038 -0.0032 856 HIS 58 NE2 -0.0243 -0.0038 -0.0020 857 HIS 58 HE2 -0.0243 -0.0031 -0.0028 858 HIS 58 ND1 -0.0246 -0.0075 0.0024 859 HIS 58 HD1 -0.0247 -0.0099 0.0053 860 HIS 58 CE1 -0.0243 -0.0074 0.0029 861 HIS 58 HE1 -0.0241 -0.0100 0.0066 862 HIS 58 C -0.0178 0.0035 0.0018 863 HIS 58 O -0.0152 0.0083 0.0009 864 LYS 59 N 0.0128 0.0157 0.0106 865 LYS 59 HN 0.0050 0.0188 0.0102 866 LYS 59 CA 0.0122 0.0112 0.0041 867 LYS 59 HA 0.0172 0.0128 0.0092 868 LYS 59 CB -0.0009 0.0138 -0.0002 869 LYS 59 HB1 -0.0011 0.0099 -0.0056 870 LYS 59 HB2 -0.0060 0.0124 -0.0051 871 LYS 59 CG -0.0075 0.0229 0.0083 872 LYS 59 HG1 -0.0165 0.0239 0.0043 873 LYS 59 HG2 -0.0092 0.0267 0.0125 874 LYS 59 CD -0.0008 0.0261 0.0166 875 LYS 59 HD1 -0.0067 0.0325 0.0218 876 LYS 59 HD2 0.0069 0.0264 0.0218 877 LYS 59 CE 0.0043 0.0208 0.0126 878 LYS 59 HE1 0.0085 0.0240 0.0193 879 LYS 59 HE2 0.0112 0.0146 0.0082 880 LYS 59 NZ -0.0051 0.0196 0.0053 881 LYS 59 HZ1 -0.0121 0.0252 0.0087 882 LYS 59 HZ2 -0.0084 0.0160 -0.0015 883 LYS 59 HZ3 -0.0015 0.0165 0.0031 884 LYS 59 C 0.0182 0.0018 -0.0051 885 LYS 59 O 0.0230 -0.0022 -0.0077 886 GLN 60 N 0.0122 0.0006 -0.0051 887 GLN 60 HN 0.0137 0.0010 -0.0051 888 GLN 60 CA 0.0101 0.0027 -0.0011 889 GLN 60 HA 0.0099 0.0026 -0.0013 890 GLN 60 CB 0.0130 0.0061 0.0023 891 GLN 60 HB1 0.0114 0.0076 0.0052 892 GLN 60 HB2 0.0128 0.0064 0.0029 893 GLN 60 CG 0.0185 0.0070 0.0014 894 GLN 60 HG1 0.0201 0.0096 0.0043 895 GLN 60 HG2 0.0204 0.0060 -0.0009 896 GLN 60 CD 0.0196 0.0060 -0.0005 897 GLN 60 OE1 0.0211 0.0038 -0.0042 898 GLN 60 NE2 0.0190 0.0077 0.0020 899 GLN 60 HE21 0.0175 0.0093 0.0050 900 GLN 60 HE22 0.0200 0.0072 0.0010 901 GLN 60 C 0.0050 0.0020 0.0000 902 GLN 60 O 0.0040 0.0012 -0.0007 903 VAL 61 N 0.0071 -0.0064 0.0047 904 VAL 61 HN 0.0081 -0.0052 0.0067 905 VAL 61 CA 0.0035 -0.0050 0.0032 906 VAL 61 HA 0.0028 -0.0066 0.0011 907 VAL 61 CB 0.0021 -0.0022 0.0050 908 VAL 61 HB 0.0031 -0.0007 0.0073 909 VAL 61 CG1 -0.0017 -0.0006 0.0036 910 VAL 61 HG11 -0.0028 -0.0021 0.0013 911 VAL 61 HG12 -0.0027 0.0013 0.0049 912 VAL 61 HG13 -0.0026 0.0002 0.0038 913 VAL 61 CG2 0.0031 -0.0030 0.0050 914 VAL 61 HG21 0.0020 -0.0010 0.0062 915 VAL 61 HG22 0.0022 -0.0046 0.0027 916 VAL 61 HG23 0.0058 -0.0040 0.0062 917 VAL 61 C 0.0020 -0.0045 0.0025 918 VAL 61 O 0.0029 -0.0034 0.0044 919 TYR 62 N -0.0058 -0.0087 0.0077 920 TYR 62 HN -0.0070 -0.0033 0.0061 921 TYR 62 CA -0.0053 -0.0130 -0.0049 922 TYR 62 HA -0.0037 -0.0207 -0.0021 923 TYR 62 CB -0.0043 -0.0196 -0.0157 924 TYR 62 HB1 -0.0061 -0.0116 -0.0210 925 TYR 62 HB2 -0.0027 -0.0266 -0.0099 926 TYR 62 CG -0.0029 -0.0282 -0.0265 927 TYR 62 CD1 -0.0043 -0.0235 -0.0404 928 TYR 62 HD1 -0.0065 -0.0133 -0.0435 929 TYR 62 CE1 -0.0029 -0.0316 -0.0502 930 TYR 62 HE1 -0.0040 -0.0279 -0.0608 931 TYR 62 CZ -0.0001 -0.0447 -0.0462 932 TYR 62 OH 0.0012 -0.0525 -0.0561 933 TYR 62 HH 0.0026 -0.0587 -0.0508 934 TYR 62 CD2 -0.0000 -0.0415 -0.0227 935 TYR 62 HD2 0.0011 -0.0454 -0.0121 936 TYR 62 CE2 0.0013 -0.0497 -0.0325 937 TYR 62 HE2 0.0035 -0.0597 -0.0294 938 TYR 62 C -0.0081 -0.0005 -0.0110 939 TYR 62 O -0.0105 0.0114 -0.0096 940 LEU 63 N -0.0110 0.0002 -0.0086 941 LEU 63 HN -0.0102 -0.0001 -0.0083 942 LEU 63 CA -0.0132 0.0021 -0.0085 943 LEU 63 HA -0.0140 0.0023 -0.0088 944 LEU 63 CB -0.0128 0.0043 -0.0066 945 LEU 63 HB1 -0.0127 0.0045 -0.0065 946 LEU 63 HB2 -0.0110 0.0043 -0.0055 947 LEU 63 CG -0.0146 0.0065 -0.0061 948 LEU 63 HG -0.0165 0.0063 -0.0073 949 LEU 63 CD1 -0.0144 0.0067 -0.0058 950 LEU 63 HD11 -0.0126 0.0069 -0.0046 951 LEU 63 HD12 -0.0158 0.0083 -0.0055 952 LEU 63 HD13 -0.0146 0.0052 -0.0070 953 LEU 63 CD2 -0.0144 0.0085 -0.0045 954 LEU 63 HD21 -0.0157 0.0101 -0.0041 955 LEU 63 HD22 -0.0126 0.0087 -0.0033 956 LEU 63 HD23 -0.0149 0.0084 -0.0048 957 LEU 63 C -0.0149 0.0014 -0.0100 958 LEU 63 O -0.0145 0.0011 -0.0100 959 SER 64 N -0.0104 0.0025 -0.0181 960 SER 64 HN -0.0074 0.0015 -0.0178 961 SER 64 CA -0.0119 0.0024 -0.0151 962 SER 64 HA -0.0153 0.0035 -0.0149 963 SER 64 CB -0.0104 0.0012 -0.0105 964 SER 64 HB1 -0.0070 0.0001 -0.0107 965 SER 64 HB2 -0.0118 0.0014 -0.0095 966 SER 64 OG -0.0115 0.0010 -0.0074 967 SER 64 HG1 -0.0094 0.0003 -0.0074 968 SER 64 C -0.0104 0.0022 -0.0164 969 SER 64 O -0.0071 0.0015 -0.0184 970 HIS 65 N -0.0331 0.0214 -0.0269 971 HIS 65 HN -0.0474 0.0433 -0.0141 972 HIS 65 CA -0.0115 0.0038 -0.0114 973 HIS 65 HA -0.0005 -0.0176 -0.0314 974 HIS 65 CB -0.0223 0.0202 -0.0023 975 HIS 65 HB1 -0.0329 0.0419 0.0192 976 HIS 65 HB2 -0.0374 0.0258 -0.0279 977 HIS 65 CD2 0.0103 0.0056 0.0472 978 HIS 65 HD2 0.0044 0.0235 0.0723 979 HIS 65 CG -0.0000 0.0015 0.0123 980 HIS 65 NE2 0.0310 -0.0186 0.0458 981 HIS 65 HE2 0.0434 -0.0230 0.0674 982 HIS 65 ND1 0.0138 -0.0249 -0.0115 983 HIS 65 HD1 0.0102 -0.0330 -0.0387 984 HIS 65 CE1 0.0324 -0.0363 0.0100 985 HIS 65 HE1 0.0478 -0.0577 0.0012 986 HIS 65 C 0.0087 -0.0031 0.0238 987 HIS 65 O 0.0017 0.0172 0.0516 988 HIS 66 N -0.0048 0.0051 0.0033 989 HIS 66 HN 0.0030 0.0111 -0.0104 990 HIS 66 CA 0.0102 0.0057 0.0193 991 HIS 66 HA 0.0272 0.0132 0.0118 992 HIS 66 CB 0.0027 0.0032 0.0196 993 HIS 66 HB1 0.0157 0.0044 0.0312 994 HIS 66 HB2 -0.0147 -0.0042 0.0269 995 HIS 66 CD2 -0.0123 0.0072 -0.0141 996 HIS 66 HD2 -0.0262 0.0006 -0.0061 997 HIS 66 CG 0.0019 0.0092 -0.0046 998 HIS 66 NE2 -0.0053 0.0153 -0.0367 999 HIS 66 HE2 -0.0111 0.0163 -0.0478 1000 HIS 66 ND1 0.0175 0.0185 -0.0208 1001 HIS 66 HD1 0.0301 0.0220 -0.0187 1002 HIS 66 CE1 0.0126 0.0218 -0.0398 1003 HIS 66 HE1 0.0219 0.0290 -0.0562 1004 HIS 66 C 0.0149 0.0008 0.0442 1005 HIS 66 O 0.0054 -0.0037 0.0500 1006 LEU 67 N 0.0110 -0.0036 0.0194 1007 LEU 67 HN 0.0135 -0.0049 0.0206 1008 LEU 67 CA 0.0086 -0.0008 0.0186 1009 LEU 67 HA 0.0057 -0.0016 0.0166 1010 LEU 67 CB 0.0095 -0.0017 0.0189 1011 LEU 67 HB1 0.0124 -0.0010 0.0210 1012 LEU 67 HB2 0.0095 -0.0052 0.0180 1013 LEU 67 CG 0.0067 0.0007 0.0178 1014 LEU 67 HG 0.0072 0.0041 0.0191 1015 LEU 67 CD1 0.0025 0.0007 0.0152 1016 LEU 67 HD11 0.0017 0.0028 0.0153 1017 LEU 67 HD12 0.0018 -0.0026 0.0139 1018 LEU 67 HD13 0.0006 0.0020 0.0144 1019 LEU 67 CD2 0.0074 -0.0014 0.0177 1020 LEU 67 HD21 0.0055 0.0003 0.0170 1021 LEU 67 HD22 0.0068 -0.0049 0.0164 1022 LEU 67 HD23 0.0104 -0.0015 0.0196 1023 LEU 67 C 0.0083 0.0040 0.0198 1024 LEU 67 O 0.0110 0.0061 0.0220 1025 HIS 68 N 0.0063 -0.0180 0.0209 1026 HIS 68 HN 0.0048 -0.0197 0.0236 1027 HIS 68 CA 0.0093 -0.0162 0.0174 1028 HIS 68 HA 0.0130 -0.0162 0.0164 1029 HIS 68 CB 0.0108 -0.0177 0.0193 1030 HIS 68 HB1 0.0071 -0.0178 0.0204 1031 HIS 68 HB2 0.0130 -0.0202 0.0223 1032 HIS 68 CD2 0.0141 -0.0154 0.0149 1033 HIS 68 HD2 0.0112 -0.0156 0.0161 1034 HIS 68 CG 0.0144 -0.0162 0.0160 1035 HIS 68 NE2 0.0185 -0.0140 0.0118 1036 HIS 68 HE2 0.0192 -0.0127 0.0098 1037 HIS 68 ND1 0.0187 -0.0153 0.0136 1038 HIS 68 HD1 0.0199 -0.0156 0.0138 1039 HIS 68 CE1 0.0211 -0.0140 0.0111 1040 HIS 68 HE1 0.0246 -0.0130 0.0087 1041 HIS 68 C 0.0064 -0.0128 0.0132 1042 HIS 68 O 0.0014 -0.0120 0.0134 1043 GLY 69 N 0.0366 -0.0175 -0.0048 1044 GLY 69 HN 0.0451 -0.0233 -0.0073 1045 GLY 69 CA 0.0327 -0.0038 -0.0107 1046 GLY 69 HA1 0.0408 -0.0017 -0.0180 1047 GLY 69 HA2 0.0285 0.0023 -0.0115 1048 GLY 69 C 0.0231 -0.0006 -0.0057 1049 GLY 69 O 0.0138 0.0095 -0.0054 1050 ASP 70 N 0.0070 -0.0139 0.0070 1051 ASP 70 HN 0.0132 -0.0159 0.0094 1052 ASP 70 CA 0.0012 -0.0113 0.0042 1053 ASP 70 HA -0.0016 -0.0061 -0.0005 1054 ASP 70 CB 0.0074 -0.0096 0.0034 1055 ASP 70 HB1 0.0034 -0.0066 0.0005 1056 ASP 70 HB2 0.0099 -0.0147 0.0080 1057 ASP 70 CG 0.0162 -0.0045 0.0001 1058 ASP 70 OD1 0.0148 0.0019 -0.0054 1059 ASP 70 OD2 0.0244 -0.0074 0.0034 1060 ASP 70 C -0.0072 -0.0167 0.0079 1061 ASP 70 O -0.0069 -0.0235 0.0136 1062 HIS 71 N -0.0125 -0.0171 -0.0053 1063 HIS 71 HN -0.0115 -0.0191 -0.0092 1064 HIS 71 CA -0.0111 -0.0164 -0.0054 1065 HIS 71 HA -0.0129 -0.0196 -0.0088 1066 HIS 71 CB -0.0041 -0.0139 -0.0072 1067 HIS 71 HB1 -0.0030 -0.0137 -0.0077 1068 HIS 71 HB2 -0.0020 -0.0106 -0.0039 1069 HIS 71 CD2 0.0029 -0.0149 -0.0142 1070 HIS 71 HD2 0.0051 -0.0118 -0.0114 1071 HIS 71 CG -0.0013 -0.0162 -0.0129 1072 HIS 71 NE2 0.0038 -0.0182 -0.0200 1073 HIS 71 HE2 0.0066 -0.0183 -0.0223 1074 HIS 71 ND1 -0.0030 -0.0203 -0.0178 1075 HIS 71 HD1 -0.0060 -0.0221 -0.0180 1076 HIS 71 CE1 0.0002 -0.0214 -0.0219 1077 HIS 71 HE1 -0.0000 -0.0245 -0.0264 1078 HIS 71 C -0.0141 -0.0145 -0.0001 1079 HIS 71 O -0.0111 -0.0110 0.0027 1080 SER 72 N -0.0101 -0.0063 0.0031 1081 SER 72 HN -0.0104 -0.0055 0.0011 1082 SER 72 CA -0.0113 -0.0064 0.0052 1083 SER 72 HA -0.0112 -0.0071 0.0073 1084 SER 72 CB -0.0098 -0.0071 0.0047 1085 SER 72 HB1 -0.0106 -0.0072 0.0065 1086 SER 72 HB2 -0.0101 -0.0062 0.0026 1087 SER 72 OG -0.0071 -0.0087 0.0048 1088 SER 72 HG1 -0.0063 -0.0086 0.0029 1089 SER 72 C -0.0141 -0.0046 0.0050 1090 SER 72 O -0.0153 -0.0044 0.0063 1091 LEU 73 N -0.0243 0.0017 0.0003 1092 LEU 73 HN -0.0249 0.0009 0.0014 1093 LEU 73 CA -0.0216 0.0010 0.0004 1094 LEU 73 HA -0.0212 0.0019 -0.0008 1095 LEU 73 CB -0.0213 -0.0010 0.0028 1096 LEU 73 HB1 -0.0194 -0.0013 0.0026 1097 LEU 73 HB2 -0.0211 -0.0020 0.0040 1098 LEU 73 CG -0.0238 -0.0014 0.0039 1099 LEU 73 HG -0.0258 -0.0011 0.0040 1100 LEU 73 CD1 -0.0233 -0.0034 0.0062 1101 LEU 73 HD11 -0.0252 -0.0037 0.0071 1102 LEU 73 HD12 -0.0231 -0.0044 0.0073 1103 LEU 73 HD13 -0.0214 -0.0038 0.0061 1104 LEU 73 CD2 -0.0243 -0.0001 0.0024 1105 LEU 73 HD21 -0.0248 0.0014 0.0007 1106 LEU 73 HD22 -0.0262 -0.0003 0.0033 1107 LEU 73 HD23 -0.0224 -0.0003 0.0022 1108 LEU 73 C -0.0191 0.0009 -0.0002 1109 LEU 73 O -0.0194 0.0003 0.0007 1110 PHE 74 N -0.0110 0.0008 -0.0047 1111 PHE 74 HN -0.0119 0.0025 -0.0056 1112 PHE 74 CA -0.0083 0.0016 -0.0031 1113 PHE 74 HA -0.0075 -0.0004 -0.0022 1114 PHE 74 CB -0.0078 0.0042 -0.0035 1115 PHE 74 HB1 -0.0057 0.0050 -0.0024 1116 PHE 74 HB2 -0.0088 0.0061 -0.0046 1117 PHE 74 CG -0.0089 0.0032 -0.0039 1118 PHE 74 CD1 -0.0115 0.0035 -0.0056 1119 PHE 74 HD1 -0.0127 0.0043 -0.0066 1120 PHE 74 CE1 -0.0124 0.0026 -0.0060 1121 PHE 74 HE1 -0.0145 0.0028 -0.0073 1122 PHE 74 CZ -0.0108 0.0015 -0.0047 1123 PHE 74 HZ -0.0116 0.0009 -0.0050 1124 PHE 74 CD2 -0.0073 0.0020 -0.0026 1125 PHE 74 HD2 -0.0053 0.0018 -0.0013 1126 PHE 74 CE2 -0.0083 0.0012 -0.0030 1127 PHE 74 HE2 -0.0070 0.0003 -0.0021 1128 PHE 74 C -0.0066 0.0026 -0.0023 1129 PHE 74 O -0.0075 0.0034 -0.0031 1130 HIS 75 N 0.0010 0.0002 -0.0053 1131 HIS 75 HN -0.0005 -0.0027 -0.0035 1132 HIS 75 CA 0.0096 0.0042 -0.0011 1133 HIS 75 HA 0.0108 0.0079 -0.0041 1134 HIS 75 CB 0.0118 -0.0017 0.0082 1135 HIS 75 HB1 0.0104 -0.0056 0.0113 1136 HIS 75 HB2 0.0077 -0.0053 0.0081 1137 HIS 75 CD2 0.0273 0.0085 0.0121 1138 HIS 75 HD2 0.0281 0.0141 0.0065 1139 HIS 75 CG 0.0205 0.0013 0.0136 1140 HIS 75 NE2 0.0334 0.0076 0.0195 1141 HIS 75 HE2 0.0393 0.0119 0.0206 1142 HIS 75 ND1 0.0224 -0.0040 0.0218 1143 HIS 75 HD1 0.0186 -0.0097 0.0246 1144 HIS 75 CE1 0.0302 0.0000 0.0251 1145 HIS 75 HE1 0.0337 -0.0023 0.0315 1146 HIS 75 C 0.0150 0.0093 -0.0014 1147 HIS 75 O 0.0144 0.0067 0.0009 1148 LEU 76 N 0.0093 0.0094 0.0048 1149 LEU 76 HN 0.0104 0.0108 0.0037 1150 LEU 76 CA 0.0100 0.0102 0.0049 1151 LEU 76 HA 0.0085 0.0085 0.0050 1152 LEU 76 CB 0.0114 0.0119 0.0017 1153 LEU 76 HB1 0.0118 0.0123 0.0017 1154 LEU 76 HB2 0.0130 0.0138 0.0018 1155 LEU 76 CG 0.0104 0.0106 -0.0018 1156 LEU 76 HG 0.0100 0.0102 -0.0018 1157 LEU 76 CD1 0.0121 0.0126 -0.0048 1158 LEU 76 HD11 0.0126 0.0133 -0.0048 1159 LEU 76 HD12 0.0114 0.0117 -0.0073 1160 LEU 76 HD13 0.0136 0.0144 -0.0044 1161 LEU 76 CD2 0.0083 0.0081 -0.0025 1162 LEU 76 HD21 0.0070 0.0066 -0.0005 1163 LEU 76 HD22 0.0076 0.0073 -0.0051 1164 LEU 76 HD23 0.0087 0.0086 -0.0026 1165 LEU 76 C 0.0113 0.0119 0.0081 1166 LEU 76 O 0.0131 0.0141 0.0085 1167 GLU 77 N 0.0081 0.0072 0.0106 1168 GLU 77 HN 0.0090 0.0063 0.0113 1169 GLU 77 CA 0.0053 0.0083 0.0103 1170 GLU 77 HA 0.0047 0.0095 0.0093 1171 GLU 77 CB 0.0051 0.0093 0.0094 1172 GLU 77 HB1 0.0029 0.0100 0.0092 1173 GLU 77 HB2 0.0057 0.0081 0.0104 1174 GLU 77 CG 0.0070 0.0110 0.0075 1175 GLU 77 HG1 0.0092 0.0103 0.0077 1176 GLU 77 HG2 0.0070 0.0118 0.0067 1177 GLU 77 CD 0.0062 0.0126 0.0062 1178 GLU 77 OE1 0.0064 0.0121 0.0066 1179 GLU 77 OE2 0.0056 0.0145 0.0046 1180 GLU 77 C 0.0034 0.0067 0.0121 1181 GLU 77 O 0.0035 0.0051 0.0135 1182 HIS 78 N -0.0063 0.0041 0.0212 1183 HIS 78 HN -0.0053 0.0040 0.0227 1184 HIS 78 CA -0.0051 0.0038 0.0188 1185 HIS 78 HA -0.0064 0.0039 0.0173 1186 HIS 78 CB -0.0030 0.0034 0.0184 1187 HIS 78 HB1 -0.0017 0.0031 0.0169 1188 HIS 78 HB2 -0.0019 0.0033 0.0201 1189 HIS 78 CD2 -0.0043 0.0036 0.0187 1190 HIS 78 HD2 -0.0040 0.0037 0.0207 1191 HIS 78 CG -0.0039 0.0035 0.0175 1192 HIS 78 NE2 -0.0050 0.0037 0.0171 1193 HIS 78 HE2 -0.0054 0.0038 0.0174 1194 HIS 78 ND1 -0.0045 0.0035 0.0150 1195 HIS 78 HD1 -0.0044 0.0034 0.0136 1196 HIS 78 CE1 -0.0051 0.0036 0.0148 1197 HIS 78 HE1 -0.0057 0.0036 0.0131 1198 HIS 78 C -0.0040 0.0036 0.0188 1199 HIS 78 O -0.0027 0.0034 0.0205 1200 HIS 79 N -0.0206 -0.0147 0.0307 1201 HIS 79 HN -0.0274 0.0010 0.0257 1202 HIS 79 CA -0.0076 -0.0324 0.0040 1203 HIS 79 HA 0.0013 -0.0540 0.0132 1204 HIS 79 CB -0.0114 -0.0170 -0.0184 1205 HIS 79 HB1 -0.0018 -0.0292 -0.0405 1206 HIS 79 HB2 -0.0213 0.0059 -0.0258 1207 HIS 79 CD2 -0.0272 0.0087 0.0019 1208 HIS 79 HD2 -0.0380 0.0320 -0.0009 1209 HIS 79 CG -0.0147 -0.0153 -0.0036 1210 HIS 79 NE2 -0.0234 -0.0022 0.0110 1211 HIS 79 HE2 -0.0301 0.0096 0.0169 1212 HIS 79 ND1 -0.0030 -0.0410 0.0010 1213 HIS 79 HD1 0.0075 -0.0617 -0.0019 1214 HIS 79 CE1 -0.0088 -0.0320 0.0101 1215 HIS 79 HE1 -0.0026 -0.0470 0.0163 1216 HIS 79 C -0.0021 -0.0363 -0.0181 1217 HIS 79 O -0.0101 -0.0148 -0.0327 1218 GLY 80 N 0.0116 0.0135 0.0081 1219 GLY 80 HN 0.0222 0.0158 0.0186 1220 GLY 80 CA 0.0176 0.0052 -0.0119 1221 GLY 80 HA1 0.0077 0.0041 -0.0189 1222 GLY 80 HA2 0.0335 0.0030 -0.0114 1223 GLY 80 C 0.0157 0.0011 -0.0237 1224 GLY 80 O 0.0238 0.0021 -0.0176 1225 GLY 81 N 0.0008 0.0195 -0.0067 1226 GLY 81 HN 0.0064 0.0205 -0.0009 1227 GLY 81 CA -0.0039 0.0211 -0.0112 1228 GLY 81 HA1 -0.0011 0.0265 -0.0076 1229 GLY 81 HA2 -0.0098 0.0243 -0.0167 1230 GLY 81 C -0.0045 0.0106 -0.0133 1231 GLY 81 O -0.0091 0.0103 -0.0180 1232 LYS 82 N -0.0124 0.0028 -0.0017 1233 LYS 82 HN -0.0116 0.0028 -0.0009 1234 LYS 82 CA -0.0127 0.0007 -0.0018 1235 LYS 82 HA -0.0131 0.0010 -0.0022 1236 LYS 82 CB -0.0112 -0.0007 -0.0002 1237 LYS 82 HB1 -0.0115 -0.0024 -0.0003 1238 LYS 82 HB2 -0.0108 -0.0010 0.0002 1239 LYS 82 CG -0.0098 0.0006 0.0010 1240 LYS 82 HG1 -0.0095 0.0023 0.0011 1241 LYS 82 HG2 -0.0101 0.0008 0.0007 1242 LYS 82 CD -0.0081 -0.0006 0.0027 1243 LYS 82 HD1 -0.0083 -0.0023 0.0027 1244 LYS 82 HD2 -0.0079 -0.0009 0.0030 1245 LYS 82 CE -0.0067 0.0008 0.0040 1246 LYS 82 HE1 -0.0055 -0.0001 0.0052 1247 LYS 82 HE2 -0.0065 0.0024 0.0040 1248 LYS 82 NZ -0.0068 0.0013 0.0038 1249 LYS 82 HZ1 -0.0071 -0.0002 0.0037 1250 LYS 82 HZ2 -0.0078 0.0023 0.0027 1251 LYS 82 HZ3 -0.0058 0.0021 0.0047 1252 LYS 82 C -0.0141 -0.0008 -0.0030 1253 LYS 82 O -0.0143 -0.0009 -0.0032 1254 VAL 83 N -0.0082 0.0018 0.0055 1255 VAL 83 HN -0.0090 0.0010 0.0048 1256 VAL 83 CA -0.0072 0.0034 0.0069 1257 VAL 83 HA -0.0069 0.0043 0.0077 1258 VAL 83 CB -0.0048 0.0026 0.0072 1259 VAL 83 HB -0.0038 0.0016 0.0070 1260 VAL 83 CG1 -0.0050 0.0012 0.0063 1261 VAL 83 HG11 -0.0033 0.0006 0.0065 1262 VAL 83 HG12 -0.0059 -0.0000 0.0052 1263 VAL 83 HG13 -0.0059 0.0021 0.0066 1264 VAL 83 CG2 -0.0036 0.0044 0.0088 1265 VAL 83 HG21 -0.0018 0.0038 0.0090 1266 VAL 83 HG22 -0.0045 0.0053 0.0091 1267 VAL 83 HG23 -0.0035 0.0053 0.0094 1268 VAL 83 C -0.0087 0.0047 0.0073 1269 VAL 83 O -0.0099 0.0040 0.0064 1270 SER 84 N -0.0048 0.0015 0.0076 1271 SER 84 HN -0.0055 0.0028 0.0067 1272 SER 84 CA -0.0034 0.0024 0.0067 1273 SER 84 HA -0.0026 0.0008 0.0077 1274 SER 84 CB -0.0054 0.0042 0.0058 1275 SER 84 HB1 -0.0061 0.0059 0.0047 1276 SER 84 HB2 -0.0075 0.0033 0.0067 1277 SER 84 OG -0.0041 0.0049 0.0051 1278 SER 84 HG1 -0.0056 0.0059 0.0047 1279 SER 84 C -0.0006 0.0036 0.0055 1280 SER 84 O -0.0005 0.0048 0.0047 1281 ILE 85 N -0.0006 0.0033 0.0028 1282 ILE 85 HN -0.0004 0.0026 0.0034 1283 ILE 85 CA -0.0000 0.0030 0.0016 1284 ILE 85 HA -0.0002 0.0038 0.0010 1285 ILE 85 CB 0.0005 0.0021 0.0016 1286 ILE 85 HB 0.0008 0.0013 0.0021 1287 ILE 85 CG2 0.0010 0.0020 0.0003 1288 ILE 85 HG21 0.0014 0.0013 0.0003 1289 ILE 85 HG22 0.0013 0.0017 -0.0002 1290 ILE 85 HG23 0.0008 0.0027 -0.0002 1291 ILE 85 CG1 0.0001 0.0024 0.0024 1292 ILE 85 HG11 0.0005 0.0017 0.0023 1293 ILE 85 HG12 -0.0002 0.0024 0.0033 1294 ILE 85 CD -0.0004 0.0034 0.0019 1295 ILE 85 HD1 -0.0007 0.0036 0.0025 1296 ILE 85 HD2 -0.0000 0.0034 0.0010 1297 ILE 85 HD3 -0.0007 0.0042 0.0018 1298 ILE 85 C 0.0004 0.0026 0.0011 1299 ILE 85 O 0.0007 0.0018 0.0017 1300 LYS 86 N 0.0038 0.0045 -0.0069 1301 LYS 86 HN 0.0055 0.0051 -0.0071 1302 LYS 86 CA 0.0020 0.0036 -0.0047 1303 LYS 86 HA 0.0001 0.0029 -0.0051 1304 LYS 86 CB 0.0030 0.0039 -0.0018 1305 LYS 86 HB1 0.0034 0.0041 -0.0019 1306 LYS 86 HB2 0.0015 0.0032 -0.0002 1307 LYS 86 CG 0.0055 0.0049 -0.0006 1308 LYS 86 HG1 0.0051 0.0047 -0.0003 1309 LYS 86 HG2 0.0071 0.0056 -0.0022 1310 LYS 86 CD 0.0064 0.0051 0.0021 1311 LYS 86 HD1 0.0069 0.0054 0.0016 1312 LYS 86 HD2 0.0047 0.0044 0.0036 1313 LYS 86 CE 0.0087 0.0061 0.0035 1314 LYS 86 HE1 0.0082 0.0058 0.0043 1315 LYS 86 HE2 0.0103 0.0068 0.0020 1316 LYS 86 NZ 0.0096 0.0063 0.0059 1317 LYS 86 HZ1 0.0082 0.0057 0.0066 1318 LYS 86 HZ2 0.0112 0.0070 0.0052 1319 LYS 86 HZ3 0.0104 0.0066 0.0075 1320 LYS 86 C 0.0016 0.0034 -0.0048 1321 LYS 86 O 0.0030 0.0041 -0.0061 1322 GLY 87 N -0.0058 -0.0039 -0.0069 1323 GLY 87 HN -0.0046 -0.0036 -0.0076 1324 GLY 87 CA -0.0076 -0.0044 -0.0058 1325 GLY 87 HA1 -0.0079 -0.0030 -0.0055 1326 GLY 87 HA2 -0.0088 -0.0048 -0.0051 1327 GLY 87 C -0.0075 -0.0065 -0.0060 1328 GLY 87 O -0.0062 -0.0078 -0.0069 1329 HIS 88 N -0.0095 -0.0120 -0.0062 1330 HIS 88 HN -0.0081 -0.0116 -0.0032 1331 HIS 88 CA -0.0096 -0.0080 -0.0048 1332 HIS 88 HA -0.0093 -0.0114 -0.0055 1333 HIS 88 CB -0.0067 -0.0051 0.0018 1334 HIS 88 HB1 -0.0070 -0.0012 0.0027 1335 HIS 88 HB2 -0.0045 -0.0092 0.0047 1336 HIS 88 CD2 -0.0057 0.0032 0.0067 1337 HIS 88 HD2 -0.0053 0.0071 0.0088 1338 HIS 88 CG -0.0062 -0.0025 0.0037 1339 HIS 88 NE2 -0.0057 0.0033 0.0068 1340 HIS 88 HE2 -0.0054 0.0069 0.0086 1341 HIS 88 ND1 -0.0066 -0.0061 0.0018 1342 HIS 88 HD1 -0.0070 -0.0105 -0.0005 1343 HIS 88 CE1 -0.0062 -0.0024 0.0038 1344 HIS 88 HE1 -0.0064 -0.0036 0.0029 1345 HIS 88 C -0.0127 -0.0027 -0.0092 1346 HIS 88 O -0.0145 -0.0003 -0.0118 1347 HIS 89 N 0.0184 -0.0103 -0.0283 1348 HIS 89 HN 0.0439 0.0107 -0.0241 1349 HIS 89 CA -0.0249 0.0080 -0.0118 1350 HIS 89 HA -0.0181 0.0421 0.0018 1351 HIS 89 CB -0.0448 -0.0012 -0.0119 1352 HIS 89 HB1 -0.0755 0.0164 0.0018 1353 HIS 89 HB2 -0.0547 -0.0355 -0.0250 1354 HIS 89 CD2 0.0073 -0.0101 -0.0261 1355 HIS 89 HD2 0.0030 -0.0439 -0.0400 1356 HIS 89 CG -0.0111 0.0126 -0.0125 1357 HIS 89 NE2 0.0331 0.0190 -0.0184 1358 HIS 89 HE2 0.0498 0.0134 -0.0241 1359 HIS 89 ND1 0.0029 0.0552 0.0034 1360 HIS 89 HD1 -0.0051 0.0793 0.0155 1361 HIS 89 CE1 0.0294 0.0578 -0.0007 1362 HIS 89 HE1 0.0456 0.0873 0.0090 1363 HIS 89 C -0.0595 -0.0040 -0.0103 1364 HIS 89 O -0.0990 0.0055 0.0016 1365 HIS 90 N -0.0093 -0.0027 -0.0077 1366 HIS 90 HN -0.0098 -0.0012 -0.0116 1367 HIS 90 CA -0.0012 0.0003 -0.0088 1368 HIS 90 HA 0.0031 0.0034 -0.0128 1369 HIS 90 CB 0.0052 -0.0015 0.0002 1370 HIS 90 HB1 0.0106 0.0007 -0.0009 1371 HIS 90 HB2 0.0010 -0.0052 0.0055 1372 HIS 90 CD2 0.0072 -0.0039 0.0071 1373 HIS 90 HD2 -0.0000 -0.0066 0.0080 1374 HIS 90 CG 0.0105 -0.0014 0.0038 1375 HIS 90 NE2 0.0146 -0.0025 0.0094 1376 HIS 90 HE2 0.0142 -0.0037 0.0119 1377 HIS 90 ND1 0.0202 0.0015 0.0044 1378 HIS 90 HD1 0.0248 0.0033 0.0035 1379 HIS 90 CE1 0.0223 0.0007 0.0078 1380 HIS 90 HE1 0.0294 0.0024 0.0091 1381 HIS 90 C -0.0034 0.0022 -0.0148 1382 HIS 90 O 0.0024 0.0042 -0.0150 1383 HIS 91 N -0.0044 0.0015 -0.0109 1384 HIS 91 HN -0.0058 0.0011 -0.0106 1385 HIS 91 CA -0.0048 0.0024 -0.0122 1386 HIS 91 HA -0.0037 0.0022 -0.0118 1387 HIS 91 CB -0.0073 0.0022 -0.0123 1388 HIS 91 HB1 -0.0075 0.0029 -0.0133 1389 HIS 91 HB2 -0.0085 0.0024 -0.0128 1390 HIS 91 CD2 -0.0096 -0.0002 -0.0095 1391 HIS 91 HD2 -0.0110 -0.0002 -0.0097 1392 HIS 91 CG -0.0079 0.0008 -0.0105 1393 HIS 91 NE2 -0.0092 -0.0014 -0.0079 1394 HIS 91 HE2 -0.0101 -0.0023 -0.0068 1395 HIS 91 ND1 -0.0065 0.0003 -0.0096 1396 HIS 91 HD1 -0.0051 0.0008 -0.0101 1397 HIS 91 CE1 -0.0074 -0.0010 -0.0080 1398 HIS 91 HE1 -0.0066 -0.0017 -0.0070 1399 HIS 91 C -0.0042 0.0039 -0.0141 1400 HIS 91 O -0.0044 0.0043 -0.0147 1401 TYR 92 N 0.0037 0.0036 -0.0078 1402 TYR 92 HN 0.0031 0.0031 -0.0071 1403 TYR 92 CA 0.0035 0.0033 -0.0075 1404 TYR 92 HA 0.0039 0.0041 -0.0082 1405 TYR 92 CB 0.0022 0.0037 -0.0060 1406 TYR 92 HB1 0.0020 0.0033 -0.0057 1407 TYR 92 HB2 0.0017 0.0031 -0.0053 1408 TYR 92 CG 0.0018 0.0057 -0.0059 1409 TYR 92 CD1 0.0016 0.0066 -0.0057 1410 TYR 92 HD1 0.0016 0.0059 -0.0056 1411 TYR 92 CE1 0.0012 0.0084 -0.0056 1412 TYR 92 HE1 0.0011 0.0091 -0.0055 1413 TYR 92 CZ 0.0012 0.0094 -0.0056 1414 TYR 92 OH 0.0009 0.0112 -0.0056 1415 TYR 92 HH 0.0010 0.0116 -0.0057 1416 TYR 92 CD2 0.0017 0.0066 -0.0059 1417 TYR 92 HD2 0.0019 0.0060 -0.0060 1418 TYR 92 CE2 0.0014 0.0085 -0.0058 1419 TYR 92 HE2 0.0013 0.0092 -0.0058 1420 TYR 92 C 0.0038 0.0014 -0.0077 1421 TYR 92 O 0.0036 0.0001 -0.0073 1422 ILE 93 N 0.0009 -0.0032 -0.0009 1423 ILE 93 HN -0.0009 -0.0028 -0.0011 1424 ILE 93 CA 0.0019 -0.0030 0.0009 1425 ILE 93 HA 0.0036 -0.0035 0.0002 1426 ILE 93 CB 0.0002 -0.0024 0.0014 1427 ILE 93 HB -0.0015 -0.0019 0.0022 1428 ILE 93 CG2 -0.0006 -0.0029 -0.0010 1429 ILE 93 HG21 -0.0018 -0.0025 -0.0008 1430 ILE 93 HG22 0.0011 -0.0034 -0.0019 1431 ILE 93 HG23 -0.0016 -0.0029 -0.0023 1432 ILE 93 CG1 0.0013 -0.0022 0.0033 1433 ILE 93 HG11 0.0028 -0.0028 0.0024 1434 ILE 93 HG12 0.0021 -0.0020 0.0049 1435 ILE 93 CD -0.0006 -0.0016 0.0041 1436 ILE 93 HD1 -0.0021 -0.0010 0.0051 1437 ILE 93 HD2 0.0002 -0.0015 0.0055 1438 ILE 93 HD3 -0.0015 -0.0018 0.0026 1439 ILE 93 C 0.0027 -0.0026 0.0032 1440 ILE 93 O 0.0012 -0.0020 0.0043 1441 SER 94 N 0.0035 -0.0073 0.0026 1442 SER 94 HN 0.0050 -0.0070 0.0024 1443 SER 94 CA 0.0032 -0.0076 0.0034 1444 SER 94 HA 0.0015 -0.0079 0.0035 1445 SER 94 CB 0.0042 -0.0069 0.0020 1446 SER 94 HB1 0.0060 -0.0067 0.0020 1447 SER 94 HB2 0.0036 -0.0064 0.0004 1448 SER 94 OG 0.0036 -0.0071 0.0023 1449 SER 94 HG1 0.0043 -0.0075 0.0036 1450 SER 94 C 0.0043 -0.0083 0.0056 1451 SER 94 O 0.0062 -0.0082 0.0059 1452 ALA 95 N -0.0018 -0.0092 0.0044 1453 ALA 95 HN -0.0020 -0.0101 0.0036 1454 ALA 95 CA -0.0019 -0.0095 0.0041 1455 ALA 95 HA -0.0015 -0.0087 0.0052 1456 ALA 95 CB -0.0014 -0.0117 0.0040 1457 ALA 95 HB1 -0.0018 -0.0126 0.0029 1458 ALA 95 HB2 -0.0014 -0.0120 0.0038 1459 ALA 95 HB3 -0.0005 -0.0123 0.0052 1460 ALA 95 C -0.0030 -0.0088 0.0024 1461 ALA 95 O -0.0037 -0.0092 0.0010 1462 ASP 96 N -0.0048 -0.0091 0.0002 1463 ASP 96 HN -0.0024 -0.0072 0.0040 1464 ASP 96 CA -0.0069 -0.0071 -0.0041 1465 ASP 96 HA -0.0092 -0.0065 -0.0083 1466 ASP 96 CB -0.0050 -0.0006 -0.0024 1467 ASP 96 HB1 -0.0065 0.0010 -0.0055 1468 ASP 96 HB2 -0.0026 -0.0012 0.0020 1469 ASP 96 CG -0.0043 0.0050 -0.0024 1470 ASP 96 OD1 -0.0024 0.0103 -0.0004 1471 ASP 96 OD2 -0.0056 0.0043 -0.0046 1472 ASP 96 C -0.0077 -0.0127 -0.0042 1473 ASP 96 O -0.0063 -0.0173 -0.0005 1474 HIS 97 N -0.0171 -0.0194 -0.0092 1475 HIS 97 HN -0.0218 -0.0161 -0.0096 1476 HIS 97 CA -0.0163 -0.0250 -0.0165 1477 HIS 97 HA -0.0110 -0.0293 -0.0168 1478 HIS 97 CB -0.0229 -0.0250 -0.0239 1479 HIS 97 HB1 -0.0220 -0.0294 -0.0294 1480 HIS 97 HB2 -0.0285 -0.0208 -0.0239 1481 HIS 97 CD2 -0.0195 -0.0299 -0.0273 1482 HIS 97 HD2 -0.0149 -0.0349 -0.0296 1483 HIS 97 CG -0.0234 -0.0250 -0.0244 1484 HIS 97 NE2 -0.0224 -0.0272 -0.0265 1485 HIS 97 HE2 -0.0200 -0.0293 -0.0269 1486 HIS 97 ND1 -0.0288 -0.0193 -0.0221 1487 HIS 97 HD1 -0.0326 -0.0149 -0.0199 1488 HIS 97 CE1 -0.0280 -0.0208 -0.0234 1489 HIS 97 HE1 -0.0312 -0.0173 -0.0220 1490 HIS 97 C -0.0160 -0.0256 -0.0170 1491 HIS 97 O -0.0129 -0.0308 -0.0213 1492 HIS 98 N -0.0074 -0.0129 -0.0013 1493 HIS 98 HN -0.0081 -0.0059 -0.0025 1494 HIS 98 CA -0.0027 -0.0111 0.0063 1495 HIS 98 HA 0.0000 -0.0192 0.0107 1496 HIS 98 CB -0.0057 -0.0080 0.0014 1497 HIS 98 HB1 -0.0085 0.0002 -0.0032 1498 HIS 98 HB2 -0.0089 -0.0154 -0.0036 1499 HIS 98 CD2 0.0000 0.0031 0.0106 1500 HIS 98 HD2 -0.0024 0.0115 0.0066 1501 HIS 98 CG -0.0010 -0.0062 0.0090 1502 HIS 98 NE2 0.0050 -0.0002 0.0186 1503 HIS 98 HE2 0.0069 0.0046 0.0216 1504 HIS 98 ND1 0.0034 -0.0151 0.0160 1505 HIS 98 HD1 0.0037 -0.0229 0.0167 1506 HIS 98 CE1 0.0068 -0.0112 0.0216 1507 HIS 98 HE1 0.0106 -0.0163 0.0277 1508 HIS 98 C 0.0019 -0.0013 0.0136 1509 HIS 98 O 0.0003 0.0064 0.0110 1510 GLY 99 N 0.0127 -0.0041 0.0319 1511 GLY 99 HN 0.0121 -0.0095 0.0380 1512 GLY 99 CA 0.0203 0.0028 0.0340 1513 GLY 99 HA1 0.0229 0.0100 0.0286 1514 GLY 99 HA2 0.0252 0.0017 0.0423 1515 GLY 99 C 0.0182 0.0015 0.0327 1516 GLY 99 O 0.0110 -0.0059 0.0319 1517 HIS 100 N 0.0194 0.0008 0.0414 1518 HIS 100 HN 0.0260 -0.0015 0.0411 1519 HIS 100 CA 0.0137 0.0011 0.0324 1520 HIS 100 HA 0.0084 0.0032 0.0341 1521 HIS 100 CB 0.0197 -0.0023 0.0246 1522 HIS 100 HB1 0.0154 -0.0021 0.0179 1523 HIS 100 HB2 0.0253 -0.0045 0.0229 1524 HIS 100 CD2 0.0202 -0.0013 0.0312 1525 HIS 100 HD2 0.0131 0.0014 0.0329 1526 HIS 100 CG 0.0240 -0.0032 0.0277 1527 HIS 100 NE2 0.0273 -0.0036 0.0319 1528 HIS 100 HE2 0.0268 -0.0031 0.0338 1529 HIS 100 ND1 0.0334 -0.0066 0.0264 1530 HIS 100 HD1 0.0379 -0.0086 0.0239 1531 HIS 100 CE1 0.0350 -0.0067 0.0289 1532 HIS 100 HE1 0.0418 -0.0091 0.0285 1533 HIS 100 C 0.0089 0.0018 0.0273 1534 HIS 100 O 0.0130 0.0001 0.0256 1535 VAL 101 N 0.0097 0.0007 0.0185 1536 VAL 101 HN 0.0090 0.0005 0.0203 1537 VAL 101 CA 0.0075 -0.0000 0.0156 1538 VAL 101 HA 0.0071 -0.0001 0.0149 1539 VAL 101 CB 0.0041 -0.0011 0.0167 1540 VAL 101 HB 0.0045 -0.0010 0.0178 1541 VAL 101 CG1 0.0015 -0.0020 0.0138 1542 VAL 101 HG11 0.0024 -0.0017 0.0117 1543 VAL 101 HG12 0.0009 -0.0022 0.0128 1544 VAL 101 HG13 -0.0008 -0.0027 0.0149 1545 VAL 101 CG2 0.0027 -0.0015 0.0197 1546 VAL 101 HG21 0.0023 -0.0017 0.0187 1547 VAL 101 HG22 0.0044 -0.0010 0.0219 1548 VAL 101 HG23 0.0003 -0.0023 0.0206 1549 VAL 101 C 0.0088 0.0004 0.0123 1550 VAL 101 O 0.0106 0.0010 0.0125 1551 SER 102 N 0.0106 -0.0018 0.0047 1552 SER 102 HN 0.0088 -0.0032 0.0037 1553 SER 102 CA 0.0116 0.0000 0.0021 1554 SER 102 HA 0.0130 0.0009 0.0037 1555 SER 102 CB 0.0133 0.0024 -0.0004 1556 SER 102 HB1 0.0150 0.0035 0.0015 1557 SER 102 HB2 0.0145 0.0040 -0.0019 1558 SER 102 OG 0.0117 0.0016 -0.0031 1559 SER 102 HG1 0.0116 0.0012 -0.0018 1560 SER 102 C 0.0092 -0.0015 -0.0004 1561 SER 102 O 0.0072 -0.0039 0.0008 1562 THR 103 N 0.0133 -0.0029 -0.0010 1563 THR 103 HN 0.0149 -0.0015 -0.0019 1564 THR 103 CA 0.0121 -0.0053 -0.0029 1565 THR 103 HA 0.0109 -0.0067 -0.0028 1566 THR 103 CB 0.0111 -0.0060 -0.0020 1567 THR 103 HB 0.0100 -0.0061 0.0004 1568 THR 103 OG1 0.0098 -0.0084 -0.0037 1569 THR 103 HG1 0.0089 -0.0089 -0.0026 1570 THR 103 CG2 0.0128 -0.0042 -0.0023 1571 THR 103 HG21 0.0120 -0.0048 -0.0015 1572 THR 103 HG22 0.0138 -0.0023 -0.0010 1573 THR 103 HG23 0.0138 -0.0042 -0.0047 1574 THR 103 C 0.0137 -0.0050 -0.0060 1575 THR 103 O 0.0156 -0.0030 -0.0066 1576 LYS 104 N 0.0127 -0.0029 -0.0089 1577 LYS 104 HN 0.0100 -0.0033 -0.0086 1578 LYS 104 CA 0.0125 -0.0017 -0.0119 1579 LYS 104 HA 0.0155 -0.0008 -0.0133 1580 LYS 104 CB 0.0120 -0.0025 -0.0100 1581 LYS 104 HB1 0.0146 -0.0031 -0.0078 1582 LYS 104 HB2 0.0124 -0.0016 -0.0123 1583 LYS 104 CG 0.0078 -0.0038 -0.0079 1584 LYS 104 HG1 0.0052 -0.0033 -0.0102 1585 LYS 104 HG2 0.0071 -0.0047 -0.0059 1586 LYS 104 CD 0.0080 -0.0048 -0.0053 1587 LYS 104 HD1 0.0103 -0.0055 -0.0028 1588 LYS 104 HD2 0.0091 -0.0040 -0.0072 1589 LYS 104 CE 0.0036 -0.0060 -0.0037 1590 LYS 104 HE1 0.0013 -0.0053 -0.0062 1591 LYS 104 HE2 0.0025 -0.0069 -0.0016 1592 LYS 104 NZ 0.0037 -0.0068 -0.0015 1593 LYS 104 HZ1 0.0006 -0.0071 -0.0018 1594 LYS 104 HZ2 0.0058 -0.0062 -0.0026 1595 LYS 104 HZ3 0.0042 -0.0080 0.0016 1596 LYS 104 C 0.0092 -0.0008 -0.0152 1597 LYS 104 O 0.0063 -0.0013 -0.0147 1598 GLU 105 N -0.0047 0.0139 -0.0237 1599 GLU 105 HN -0.0102 0.0141 -0.0232 1600 GLU 105 CA 0.0034 0.0091 -0.0157 1601 GLU 105 HA 0.0057 0.0081 -0.0141 1602 GLU 105 CB -0.0013 0.0042 -0.0058 1603 GLU 105 HB1 -0.0037 0.0051 -0.0072 1604 GLU 105 HB2 -0.0093 0.0035 -0.0035 1605 GLU 105 CG 0.0070 -0.0011 0.0030 1606 GLU 105 HG1 0.0096 -0.0019 0.0043 1607 GLU 105 HG2 0.0147 -0.0008 0.0015 1608 GLU 105 CD 0.0014 -0.0059 0.0129 1609 GLU 105 OE1 -0.0032 -0.0088 0.0189 1610 GLU 105 OE2 0.0019 -0.0068 0.0145 1611 GLU 105 C 0.0142 0.0103 -0.0194 1612 GLU 105 O 0.0136 0.0128 -0.0239 1613 HIS 106 N 0.0035 0.0104 -0.0043 1614 HIS 106 HN 0.0058 0.0060 0.0074 1615 HIS 106 CA 0.0189 0.0046 -0.0162 1616 HIS 106 HA 0.0288 -0.0038 -0.0065 1617 HIS 106 CB 0.0180 0.0069 -0.0227 1618 HIS 106 HB1 0.0309 0.0014 -0.0304 1619 HIS 106 HB2 0.0082 0.0153 -0.0329 1620 HIS 106 CD2 -0.0003 0.0116 -0.0005 1621 HIS 106 HD2 -0.0117 0.0202 -0.0079 1622 HIS 106 CG 0.0138 0.0047 -0.0056 1623 HIS 106 NE2 0.0018 0.0056 0.0173 1624 HIS 106 HE2 -0.0077 0.0087 0.0266 1625 HIS 106 ND1 0.0251 -0.0056 0.0084 1626 HIS 106 HD1 0.0365 -0.0123 0.0084 1627 HIS 106 CE1 0.0173 -0.0047 0.0220 1628 HIS 106 HE1 0.0223 -0.0113 0.0356 1629 HIS 106 C 0.0264 0.0047 -0.0334 1630 HIS 106 O 0.0173 0.0129 -0.0440 1631 HIS 107 N 0.0024 0.0116 -0.0076 1632 HIS 107 HN 0.0006 0.0131 -0.0099 1633 HIS 107 CA 0.0004 0.0083 -0.0045 1634 HIS 107 HA 0.0031 0.0073 -0.0026 1635 HIS 107 CB -0.0036 0.0080 -0.0053 1636 HIS 107 HB1 -0.0060 0.0093 -0.0075 1637 HIS 107 HB2 -0.0023 0.0090 -0.0060 1638 HIS 107 CD2 -0.0101 0.0032 -0.0018 1639 HIS 107 HD2 -0.0122 0.0041 -0.0034 1640 HIS 107 CG -0.0061 0.0047 -0.0023 1641 HIS 107 NE2 -0.0108 0.0002 0.0014 1642 HIS 107 HE2 -0.0132 -0.0016 0.0027 1643 HIS 107 ND1 -0.0044 0.0027 0.0005 1644 HIS 107 HD1 -0.0016 0.0031 0.0008 1645 HIS 107 CE1 -0.0073 -0.0000 0.0027 1646 HIS 107 HE1 -0.0070 -0.0022 0.0052 1647 HIS 107 C -0.0011 0.0064 -0.0027 1648 HIS 107 O -0.0030 0.0074 -0.0045 1649 ASP 108 N -0.0037 -0.0024 0.0040 1650 ASP 108 HN -0.0016 -0.0028 0.0028 1651 ASP 108 CA -0.0054 -0.0058 0.0077 1652 ASP 108 HA -0.0087 -0.0045 0.0091 1653 ASP 108 CB -0.0023 -0.0090 0.0077 1654 ASP 108 HB1 0.0009 -0.0109 0.0067 1655 ASP 108 HB2 -0.0016 -0.0070 0.0058 1656 ASP 108 CG -0.0041 -0.0123 0.0113 1657 ASP 108 OD1 -0.0076 -0.0127 0.0141 1658 ASP 108 OD2 -0.0018 -0.0145 0.0112 1659 ASP 108 C -0.0057 -0.0081 0.0095 1660 ASP 108 O -0.0039 -0.0076 0.0078 1661 HIS 109 N 0.0005 -0.0150 0.0069 1662 HIS 109 HN 0.0042 -0.0147 0.0053 1663 HIS 109 CA 0.0000 -0.0072 0.0038 1664 HIS 109 HA -0.0012 -0.0099 0.0055 1665 HIS 109 CB 0.0093 -0.0030 -0.0018 1666 HIS 109 HB1 0.0081 0.0041 -0.0043 1667 HIS 109 HB2 0.0121 -0.0023 -0.0032 1668 HIS 109 CD2 0.0251 -0.0140 -0.0036 1669 HIS 109 HD2 0.0289 -0.0146 -0.0049 1670 HIS 109 CG 0.0164 -0.0092 -0.0021 1671 HIS 109 NE2 0.0289 -0.0186 -0.0032 1672 HIS 109 HE2 0.0352 -0.0227 -0.0040 1673 HIS 109 ND1 0.0149 -0.0108 -0.0008 1674 HIS 109 HD1 0.0090 -0.0083 0.0006 1675 HIS 109 CE1 0.0225 -0.0166 -0.0014 1676 HIS 109 HE1 0.0233 -0.0193 -0.0006 1677 HIS 109 C -0.0085 0.0003 0.0041 1678 HIS 109 O -0.0119 0.0054 0.0033 1679 ASP 110 N -0.0041 -0.0119 0.0065 1680 ASP 110 HN -0.0050 -0.0118 0.0078 1681 ASP 110 CA -0.0040 -0.0134 0.0050 1682 ASP 110 HA -0.0041 -0.0145 0.0042 1683 ASP 110 CB -0.0053 -0.0145 0.0057 1684 ASP 110 HB1 -0.0050 -0.0154 0.0045 1685 ASP 110 HB2 -0.0052 -0.0133 0.0067 1686 ASP 110 CG -0.0069 -0.0158 0.0068 1687 ASP 110 OD1 -0.0072 -0.0162 0.0069 1688 ASP 110 OD2 -0.0079 -0.0165 0.0075 1689 ASP 110 C -0.0025 -0.0126 0.0036 1690 ASP 110 O -0.0020 -0.0136 0.0019 1691 THR 111 N -0.0024 -0.0070 0.0063 1692 THR 111 HN -0.0041 -0.0061 0.0060 1693 THR 111 CA -0.0016 -0.0060 0.0044 1694 THR 111 HA 0.0004 -0.0070 0.0046 1695 THR 111 CB -0.0012 -0.0041 0.0016 1696 THR 111 HB -0.0001 -0.0036 0.0003 1697 THR 111 OG1 -0.0038 -0.0024 0.0008 1698 THR 111 HG1 -0.0048 -0.0020 0.0008 1699 THR 111 CG2 0.0008 -0.0046 0.0012 1700 THR 111 HG21 -0.0003 -0.0050 0.0024 1701 THR 111 HG22 0.0011 -0.0033 -0.0008 1702 THR 111 HG23 0.0029 -0.0058 0.0016 1703 THR 111 C -0.0038 -0.0054 0.0049 1704 THR 111 O -0.0038 -0.0042 0.0033 1705 THR 112 N -0.0076 -0.0057 0.0038 1706 THR 112 HN -0.0074 -0.0064 0.0047 1707 THR 112 CA -0.0087 -0.0046 0.0041 1708 THR 112 HA -0.0088 -0.0040 0.0031 1709 THR 112 CB -0.0097 -0.0038 0.0049 1710 THR 112 HB -0.0097 -0.0045 0.0061 1711 THR 112 OG1 -0.0098 -0.0034 0.0041 1712 THR 112 HG1 -0.0091 -0.0041 0.0040 1713 THR 112 CG2 -0.0109 -0.0027 0.0051 1714 THR 112 HG21 -0.0109 -0.0021 0.0040 1715 THR 112 HG22 -0.0116 -0.0021 0.0056 1716 THR 112 HG23 -0.0110 -0.0030 0.0059 1717 THR 112 C -0.0087 -0.0051 0.0051 1718 THR 112 O -0.0085 -0.0060 0.0063 1719 PHE 113 N -0.0057 -0.0035 0.0041 1720 PHE 113 HN -0.0056 -0.0030 0.0037 1721 PHE 113 CA -0.0056 -0.0036 0.0037 1722 PHE 113 HA -0.0057 -0.0041 0.0042 1723 PHE 113 CB -0.0056 -0.0041 0.0025 1724 PHE 113 HB1 -0.0056 -0.0043 0.0022 1725 PHE 113 HB2 -0.0055 -0.0035 0.0020 1726 PHE 113 CG -0.0057 -0.0051 0.0025 1727 PHE 113 CD1 -0.0056 -0.0053 0.0017 1728 PHE 113 HD1 -0.0055 -0.0046 0.0012 1729 PHE 113 CE1 -0.0057 -0.0062 0.0017 1730 PHE 113 HE1 -0.0056 -0.0063 0.0011 1731 PHE 113 CZ -0.0058 -0.0070 0.0024 1732 PHE 113 HZ -0.0058 -0.0077 0.0024 1733 PHE 113 CD2 -0.0058 -0.0060 0.0032 1734 PHE 113 HD2 -0.0058 -0.0059 0.0037 1735 PHE 113 CE2 -0.0058 -0.0069 0.0031 1736 PHE 113 HE2 -0.0059 -0.0076 0.0037 1737 PHE 113 C -0.0056 -0.0026 0.0036 1738 PHE 113 O -0.0055 -0.0017 0.0038 1739 GLU 114 N -0.0068 0.0051 -0.0051 1740 GLU 114 HN -0.0081 0.0070 -0.0059 1741 GLU 114 CA -0.0045 0.0006 -0.0059 1742 GLU 114 HA -0.0029 -0.0010 -0.0038 1743 GLU 114 CB -0.0050 -0.0011 -0.0111 1744 GLU 114 HB1 -0.0032 -0.0046 -0.0116 1745 GLU 114 HB2 -0.0065 0.0004 -0.0132 1746 GLU 114 CG -0.0060 -0.0003 -0.0129 1747 GLU 114 HG1 -0.0079 0.0031 -0.0130 1748 GLU 114 HG2 -0.0046 -0.0015 -0.0106 1749 GLU 114 CD -0.0061 -0.0025 -0.0178 1750 GLU 114 OE1 -0.0065 -0.0027 -0.0193 1751 GLU 114 OE2 -0.0059 -0.0041 -0.0201 1752 GLU 114 C -0.0036 -0.0003 -0.0045 1753 GLU 114 O -0.0050 0.0025 -0.0041 1754 GLU 115 N -0.0015 0.0033 -0.0012 1755 GLU 115 HN -0.0000 0.0023 -0.0007 1756 GLU 115 CA -0.0008 0.0026 -0.0020 1757 GLU 115 HA -0.0015 0.0034 -0.0003 1758 GLU 115 CB 0.0021 0.0006 -0.0016 1759 GLU 115 HB1 0.0027 -0.0000 -0.0025 1760 GLU 115 HB2 0.0030 -0.0003 -0.0029 1761 GLU 115 CG 0.0032 0.0003 0.0018 1762 GLU 115 HG1 0.0026 0.0009 0.0029 1763 GLU 115 HG2 0.0025 0.0010 0.0031 1764 GLU 115 CD 0.0061 -0.0018 0.0021 1765 GLU 115 OE1 0.0071 -0.0027 0.0007 1766 GLU 115 OE2 0.0073 -0.0024 0.0038 1767 GLU 115 C -0.0018 0.0029 -0.0052 1768 GLU 115 O -0.0023 0.0029 -0.0074 1769 ILE 116 N 0.0003 0.0035 -0.0011 1770 ILE 116 HN 0.0010 0.0038 -0.0002 1771 ILE 116 CA 0.0000 0.0028 -0.0017 1772 ILE 116 HA -0.0008 0.0027 -0.0027 1773 ILE 116 CB 0.0001 0.0037 -0.0012 1774 ILE 116 HB 0.0009 0.0039 -0.0001 1775 ILE 116 CG2 -0.0008 0.0053 -0.0015 1776 ILE 116 HG21 -0.0008 0.0058 -0.0013 1777 ILE 116 HG22 -0.0007 0.0060 -0.0011 1778 ILE 116 HG23 -0.0016 0.0051 -0.0026 1779 ILE 116 CG1 0.0001 0.0028 -0.0016 1780 ILE 116 HG11 -0.0007 0.0026 -0.0027 1781 ILE 116 HG12 0.0007 0.0017 -0.0014 1782 ILE 116 CD 0.0003 0.0037 -0.0010 1783 ILE 116 HD1 0.0011 0.0039 -0.0000 1784 ILE 116 HD2 0.0002 0.0030 -0.0014 1785 ILE 116 HD3 -0.0004 0.0048 -0.0013 1786 ILE 116 C 0.0008 0.0012 -0.0015 1787 ILE 116 O 0.0018 0.0009 -0.0005 1788 ILE 117 N 0.0072 0.0003 -0.0052 1789 ILE 117 HN 0.0044 -0.0031 -0.0010 1790 ILE 117 CA 0.0043 0.0015 -0.0039 1791 ILE 117 HA 0.0054 0.0074 -0.0083 1792 ILE 117 CB -0.0051 0.0027 0.0023 1793 ILE 117 HB -0.0065 -0.0028 0.0068 1794 ILE 117 CG2 -0.0077 0.0022 0.0046 1795 ILE 117 HG21 -0.0146 0.0036 0.0089 1796 ILE 117 HG22 -0.0047 -0.0044 0.0065 1797 ILE 117 HG23 -0.0060 0.0073 0.0002 1798 ILE 117 CG1 -0.0104 0.0117 0.0007 1799 ILE 117 HG11 -0.0070 0.0167 -0.0049 1800 ILE 117 HG12 -0.0163 0.0142 0.0036 1801 ILE 117 CD -0.0127 0.0112 0.0028 1802 ILE 117 HD1 -0.0071 0.0092 -0.0002 1803 ILE 117 HD2 -0.0163 0.0064 0.0084 1804 ILE 117 HD3 -0.0168 0.0178 0.0017 1805 ILE 117 C 0.0097 -0.0062 -0.0031 1806 ILE 117 O 0.0115 -0.0139 0.0003 1807 ILE 118 N 0.0133 0.0037 0.0049 1808 ILE 118 HN 0.0109 0.0029 0.0033 1809 ILE 118 CA 0.0087 0.0149 0.0157 1810 ILE 118 HA 0.0144 0.0060 0.0078 1811 ILE 118 CB 0.0083 0.0042 0.0039 1812 ILE 118 HB 0.0052 0.0041 0.0030 1813 ILE 118 CG2 0.0067 0.0062 0.0056 1814 ILE 118 HG21 0.0044 0.0050 0.0037 1815 ILE 118 HG22 0.0047 0.0087 0.0077 1816 ILE 118 HG23 0.0097 0.0065 0.0068 1817 ILE 118 CG1 0.0103 0.0006 0.0007 1818 ILE 118 HG11 0.0078 -0.0004 -0.0011 1819 ILE 118 HG12 0.0109 -0.0009 -0.0008 1820 ILE 118 CD 0.0149 -0.0000 0.0014 1821 ILE 118 HD1 0.0161 -0.0027 -0.0011 1822 ILE 118 HD2 0.0144 0.0013 0.0027 1823 ILE 118 HD3 0.0176 0.0008 0.0031 1824 ILE 118 C 0.0093 0.0090 0.0094 1825 ILE 118 OT1 0.0063 0.0093 0.0089 1826 ILE 118 OT2 0.0105 0.0075 0.0082