1 ASN 3 N -0.0005 -0.0097 0.0081 2 ASN 3 HN 0.0002 -0.0099 0.0079 3 ASN 3 CA -0.0006 -0.0088 0.0084 4 ASN 3 HA -0.0013 -0.0084 0.0087 5 ASN 3 CB 0.0004 -0.0081 0.0084 6 ASN 3 HB1 0.0003 -0.0074 0.0086 7 ASN 3 HB2 0.0011 -0.0085 0.0081 8 ASN 3 CG 0.0006 -0.0075 0.0085 9 ASN 3 OD1 0.0001 -0.0066 0.0089 10 ASN 3 ND2 0.0013 -0.0078 0.0083 11 ASN 3 HD21 0.0014 -0.0075 0.0083 12 ASN 3 HD22 0.0015 -0.0086 0.0080 13 ASN 3 C -0.0009 -0.0093 0.0083 14 ASN 3 O -0.0010 -0.0103 0.0080 15 ARG 4 N 0.0041 -0.0131 -0.0005 16 ARG 4 HN 0.0043 -0.0158 -0.0033 17 ARG 4 CA 0.0031 -0.0073 0.0043 18 ARG 4 HA 0.0038 -0.0052 0.0075 19 ARG 4 CB 0.0068 -0.0086 0.0081 20 ARG 4 HB1 0.0064 -0.0043 0.0122 21 ARG 4 HB2 0.0055 -0.0097 0.0050 22 ARG 4 CG 0.0126 -0.0138 0.0107 23 ARG 4 HG1 0.0147 -0.0141 0.0135 24 ARG 4 HG2 0.0131 -0.0183 0.0067 25 ARG 4 CD 0.0150 -0.0132 0.0150 26 ARG 4 HD1 0.0131 -0.0132 0.0122 27 ARG 4 HD2 0.0147 -0.0088 0.0191 28 ARG 4 NE 0.0207 -0.0186 0.0172 29 ARG 4 HE 0.0222 -0.0207 0.0171 30 ARG 4 CZ 0.0238 -0.0211 0.0189 31 ARG 4 NH1 0.0222 -0.0189 0.0189 32 ARG 4 HH11 0.0184 -0.0159 0.0168 33 ARG 4 HH12 0.0244 -0.0213 0.0195 34 ARG 4 NH2 0.0287 -0.0259 0.0207 35 ARG 4 HH21 0.0310 -0.0278 0.0220 36 ARG 4 HH22 0.0299 -0.0277 0.0205 37 ARG 4 C -0.0025 -0.0025 0.0015 38 ARG 4 O -0.0042 0.0030 0.0048 39 ALA 5 N 0.0019 -0.0006 0.0035 40 ALA 5 HN 0.0016 -0.0018 0.0032 41 ALA 5 CA 0.0012 0.0003 0.0030 42 ALA 5 HA 0.0018 0.0014 0.0035 43 ALA 5 CB 0.0012 -0.0010 0.0029 44 ALA 5 HB1 0.0006 -0.0004 0.0025 45 ALA 5 HB2 0.0022 -0.0013 0.0038 46 ALA 5 HB3 0.0007 -0.0023 0.0025 47 ALA 5 C -0.0002 0.0008 0.0018 48 ALA 5 O -0.0008 -0.0001 0.0013 49 PHE 6 N -0.0075 0.0003 0.0023 50 PHE 6 HN -0.0078 0.0012 0.0028 51 PHE 6 CA -0.0077 0.0005 0.0013 52 PHE 6 HA -0.0074 -0.0005 0.0007 53 PHE 6 CB -0.0077 0.0009 0.0024 54 PHE 6 HB1 -0.0080 0.0014 0.0017 55 PHE 6 HB2 -0.0080 0.0018 0.0033 56 PHE 6 CG -0.0070 -0.0004 0.0031 57 PHE 6 CD1 -0.0066 -0.0009 0.0045 58 PHE 6 HD1 -0.0068 -0.0003 0.0051 59 PHE 6 CE1 -0.0059 -0.0022 0.0051 60 PHE 6 HE1 -0.0056 -0.0026 0.0062 61 PHE 6 CZ -0.0057 -0.0030 0.0044 62 PHE 6 HZ -0.0052 -0.0041 0.0048 63 PHE 6 CD2 -0.0068 -0.0012 0.0024 64 PHE 6 HD2 -0.0071 -0.0008 0.0014 65 PHE 6 CE2 -0.0061 -0.0025 0.0031 66 PHE 6 HE2 -0.0059 -0.0031 0.0025 67 PHE 6 C -0.0084 0.0016 0.0000 68 PHE 6 O -0.0088 0.0026 0.0002 69 LYS 7 N -0.0162 0.0046 0.0036 70 LYS 7 HN -0.0150 0.0043 0.0041 71 LYS 7 CA -0.0155 0.0048 0.0036 72 LYS 7 HA -0.0169 0.0050 0.0032 73 LYS 7 CB -0.0138 0.0065 0.0029 74 LYS 7 HB1 -0.0146 0.0078 0.0018 75 LYS 7 HB2 -0.0133 0.0066 0.0029 76 LYS 7 CG -0.0117 0.0067 0.0034 77 LYS 7 HG1 -0.0112 0.0053 0.0045 78 LYS 7 HG2 -0.0121 0.0070 0.0030 79 LYS 7 CD -0.0098 0.0080 0.0029 80 LYS 7 HD1 -0.0102 0.0095 0.0018 81 LYS 7 HD2 -0.0098 0.0078 0.0031 82 LYS 7 CE -0.0076 0.0078 0.0037 83 LYS 7 HE1 -0.0063 0.0087 0.0034 84 LYS 7 HE2 -0.0073 0.0064 0.0048 85 LYS 7 NZ -0.0072 0.0084 0.0033 86 LYS 7 HZ1 -0.0069 0.0099 0.0024 87 LYS 7 HZ2 -0.0086 0.0080 0.0032 88 LYS 7 HZ3 -0.0059 0.0079 0.0041 89 LYS 7 C -0.0146 0.0032 0.0051 90 LYS 7 O -0.0139 0.0021 0.0061 91 SER 8 N -0.0216 0.0016 -0.0055 92 SER 8 HN -0.0211 0.0032 -0.0045 93 SER 8 CA -0.0196 0.0001 -0.0069 94 SER 8 HA -0.0200 -0.0014 -0.0078 95 SER 8 CB -0.0194 -0.0008 -0.0075 96 SER 8 HB1 -0.0214 -0.0016 -0.0077 97 SER 8 HB2 -0.0179 -0.0020 -0.0087 98 SER 8 OG -0.0187 0.0011 -0.0064 99 SER 8 HG1 -0.0202 0.0021 -0.0054 100 SER 8 C -0.0169 0.0013 -0.0066 101 SER 8 O -0.0165 0.0034 -0.0052 102 HIS 9 N -0.0232 -0.0046 -0.0187 103 HIS 9 HN -0.0237 -0.0077 -0.0209 104 HIS 9 CA -0.0179 -0.0033 -0.0174 105 HIS 9 HA -0.0161 -0.0060 -0.0191 106 HIS 9 CB -0.0148 -0.0027 -0.0167 107 HIS 9 HB1 -0.0107 -0.0018 -0.0157 108 HIS 9 HB2 -0.0167 -0.0003 -0.0151 109 HIS 9 CD2 -0.0164 -0.0081 -0.0206 110 HIS 9 HD2 -0.0190 -0.0064 -0.0196 111 HIS 9 CG -0.0143 -0.0068 -0.0195 112 HIS 9 NE2 -0.0148 -0.0124 -0.0235 113 HIS 9 HE2 -0.0160 -0.0144 -0.0250 114 HIS 9 ND1 -0.0114 -0.0101 -0.0216 115 HIS 9 HD1 -0.0094 -0.0100 -0.0214 116 HIS 9 CE1 -0.0119 -0.0134 -0.0240 117 HIS 9 HE1 -0.0102 -0.0166 -0.0261 118 HIS 9 C -0.0176 0.0003 -0.0148 119 HIS 9 O -0.0188 0.0000 -0.0151 120 HIS 10 N -0.0122 0.0106 0.0153 121 HIS 10 HN -0.0324 0.0077 0.0117 122 HIS 10 CA 0.0077 0.0325 0.0010 123 HIS 10 HA 0.0309 0.0318 0.0089 124 HIS 10 CB 0.0052 0.0392 -0.0060 125 HIS 10 HB1 0.0216 0.0556 -0.0161 126 HIS 10 HB2 -0.0179 0.0421 -0.0159 127 HIS 10 CD2 -0.0070 0.0093 0.0182 128 HIS 10 HD2 -0.0308 0.0083 0.0116 129 HIS 10 CG 0.0114 0.0215 0.0125 130 HIS 10 NE2 0.0114 -0.0016 0.0340 131 HIS 10 HE2 0.0052 -0.0114 0.0412 132 HIS 10 ND1 0.0406 0.0186 0.0243 133 HIS 10 HD1 0.0589 0.0258 0.0232 134 HIS 10 CE1 0.0398 0.0046 0.0371 135 HIS 10 HE1 0.0594 -0.0011 0.0485 136 HIS 10 C -0.0012 0.0521 -0.0200 137 HIS 10 O 0.0104 0.0724 -0.0353 138 GLY 11 N -0.0318 0.0178 0.0035 139 GLY 11 HN -0.0310 0.0194 0.0025 140 GLY 11 CA -0.0307 0.0161 0.0047 141 GLY 11 HA1 -0.0318 0.0144 0.0056 142 GLY 11 HA2 -0.0311 0.0167 0.0043 143 GLY 11 C -0.0278 0.0158 0.0054 144 GLY 11 O -0.0267 0.0145 0.0064 145 HIS 12 N -0.0293 0.0139 0.0038 146 HIS 12 HN -0.0297 0.0139 0.0043 147 HIS 12 CA -0.0279 0.0130 0.0026 148 HIS 12 HA -0.0276 0.0121 0.0028 149 HIS 12 CB -0.0273 0.0120 0.0026 150 HIS 12 HB1 -0.0263 0.0115 0.0015 151 HIS 12 HB2 -0.0278 0.0129 0.0025 152 HIS 12 CD2 -0.0267 0.0089 0.0040 153 HIS 12 HD2 -0.0257 0.0085 0.0030 154 HIS 12 CG -0.0275 0.0105 0.0039 155 HIS 12 NE2 -0.0272 0.0079 0.0055 156 HIS 12 HE2 -0.0269 0.0067 0.0059 157 HIS 12 ND1 -0.0286 0.0105 0.0054 158 HIS 12 HD1 -0.0294 0.0115 0.0058 159 HIS 12 CE1 -0.0284 0.0089 0.0063 160 HIS 12 HE1 -0.0291 0.0085 0.0076 161 HIS 12 C -0.0273 0.0142 0.0009 162 HIS 12 O -0.0279 0.0157 0.0005 163 PHE 13 N -0.0113 0.0087 0.0062 164 PHE 13 HN -0.0113 0.0079 0.0061 165 PHE 13 CA -0.0099 0.0093 0.0062 166 PHE 13 HA -0.0100 0.0098 0.0063 167 PHE 13 CB -0.0088 0.0081 0.0059 168 PHE 13 HB1 -0.0078 0.0085 0.0059 169 PHE 13 HB2 -0.0086 0.0076 0.0058 170 PHE 13 CG -0.0095 0.0069 0.0057 171 PHE 13 CD1 -0.0099 0.0072 0.0058 172 PHE 13 HD1 -0.0097 0.0082 0.0060 173 PHE 13 CE1 -0.0105 0.0062 0.0057 174 PHE 13 HE1 -0.0108 0.0064 0.0057 175 PHE 13 CZ -0.0107 0.0048 0.0054 176 PHE 13 HZ -0.0112 0.0040 0.0053 177 PHE 13 CD2 -0.0097 0.0056 0.0055 178 PHE 13 HD2 -0.0095 0.0054 0.0054 179 PHE 13 CE2 -0.0104 0.0045 0.0054 180 PHE 13 HE2 -0.0106 0.0035 0.0052 181 PHE 13 C -0.0093 0.0103 0.0063 182 PHE 13 O -0.0096 0.0103 0.0063 183 LEU 14 N -0.0103 0.0016 -0.0008 184 LEU 14 HN -0.0105 0.0005 -0.0009 185 LEU 14 CA -0.0103 0.0022 -0.0000 186 LEU 14 HA -0.0100 0.0033 -0.0005 187 LEU 14 CB -0.0105 0.0011 -0.0003 188 LEU 14 HB1 -0.0104 0.0016 0.0003 189 LEU 14 HB2 -0.0108 -0.0000 0.0002 190 LEU 14 CG -0.0103 0.0009 -0.0021 191 LEU 14 HG -0.0104 0.0003 -0.0027 192 LEU 14 CD1 -0.0105 -0.0001 -0.0023 193 LEU 14 HD11 -0.0104 0.0005 -0.0017 194 LEU 14 HD12 -0.0104 -0.0003 -0.0035 195 LEU 14 HD13 -0.0108 -0.0012 -0.0017 196 LEU 14 CD2 -0.0099 0.0024 -0.0029 197 LEU 14 HD21 -0.0098 0.0031 -0.0029 198 LEU 14 HD22 -0.0098 0.0022 -0.0041 199 LEU 14 HD23 -0.0098 0.0031 -0.0023 200 LEU 14 C -0.0105 0.0024 0.0017 201 LEU 14 O -0.0108 0.0014 0.0024 202 SER 15 N 0.0024 0.0041 -0.0014 203 SER 15 HN 0.0020 0.0035 -0.0008 204 SER 15 CA 0.0040 0.0029 -0.0030 205 SER 15 HA 0.0045 0.0042 -0.0037 206 SER 15 CB 0.0038 0.0005 -0.0024 207 SER 15 HB1 0.0050 -0.0006 -0.0036 208 SER 15 HB2 0.0030 -0.0007 -0.0014 209 SER 15 OG 0.0029 0.0011 -0.0016 210 SER 15 HG1 0.0022 0.0025 -0.0009 211 SER 15 C 0.0052 0.0024 -0.0043 212 SER 15 O 0.0048 0.0019 -0.0038 213 ALA 16 N 0.0133 -0.0006 -0.0045 214 ALA 16 HN 0.0150 -0.0010 -0.0057 215 ALA 16 CA 0.0133 -0.0000 -0.0039 216 ALA 16 HA 0.0116 0.0006 -0.0024 217 ALA 16 CB 0.0162 0.0016 -0.0031 218 ALA 16 HB1 0.0164 0.0029 -0.0016 219 ALA 16 HB2 0.0181 0.0010 -0.0045 220 ALA 16 HB3 0.0163 0.0022 -0.0025 221 ALA 16 C 0.0131 -0.0018 -0.0059 222 ALA 16 O 0.0144 -0.0030 -0.0078 223 GLU 17 N 0.0169 -0.0051 -0.0104 224 GLU 17 HN 0.0127 -0.0006 -0.0038 225 GLU 17 CA 0.0132 -0.0093 -0.0162 226 GLU 17 HA 0.0202 -0.0127 -0.0215 227 GLU 17 CB 0.0011 -0.0135 -0.0218 228 GLU 17 HB1 -0.0029 -0.0149 -0.0237 229 GLU 17 HB2 -0.0053 -0.0100 -0.0166 230 GLU 17 CG 0.0020 -0.0204 -0.0316 231 GLU 17 HG1 0.0055 -0.0194 -0.0304 232 GLU 17 HG2 0.0080 -0.0239 -0.0370 233 GLU 17 CD -0.0105 -0.0238 -0.0361 234 GLU 17 OE1 -0.0137 -0.0268 -0.0403 235 GLU 17 OE2 -0.0180 -0.0228 -0.0344 236 GLU 17 C 0.0109 -0.0047 -0.0096 237 GLU 17 O 0.0040 0.0001 -0.0025 238 GLY 18 N 0.0052 -0.0052 -0.0131 239 GLY 18 HN 0.0082 -0.0081 -0.0156 240 GLY 18 CA 0.0038 -0.0015 -0.0083 241 GLY 18 HA1 -0.0014 0.0000 -0.0095 242 GLY 18 HA2 0.0069 -0.0028 -0.0080 243 GLY 18 C 0.0052 0.0018 -0.0019 244 GLY 18 O 0.0109 0.0011 0.0010 245 GLU 19 N 0.0011 0.0069 -0.0019 246 GLU 19 HN 0.0001 0.0029 0.0001 247 GLU 19 CA 0.0013 0.0046 0.0021 248 GLU 19 HA 0.0018 0.0083 -0.0014 249 GLU 19 CB -0.0028 -0.0051 0.0017 250 GLU 19 HB1 -0.0025 -0.0068 0.0050 251 GLU 19 HB2 -0.0033 -0.0090 0.0054 252 GLU 19 CG -0.0067 -0.0077 -0.0079 253 GLU 19 HG1 -0.0073 -0.0064 -0.0116 254 GLU 19 HG2 -0.0063 -0.0042 -0.0115 255 GLU 19 CD -0.0107 -0.0173 -0.0078 256 GLU 19 OE1 -0.0104 -0.0208 -0.0022 257 GLU 19 OE2 -0.0140 -0.0213 -0.0135 258 GLU 19 C 0.0049 0.0061 0.0119 259 GLU 19 O 0.0051 0.0033 0.0165 260 ALA 20 N 0.0044 0.0045 0.0032 261 ALA 20 HN 0.0049 0.0035 0.0013 262 ALA 20 CA 0.0037 0.0046 0.0028 263 ALA 20 HA 0.0043 0.0054 0.0050 264 ALA 20 CB 0.0003 0.0056 0.0018 265 ALA 20 HB1 -0.0003 0.0059 0.0018 266 ALA 20 HB2 -0.0009 0.0068 0.0034 267 ALA 20 HB3 -0.0004 0.0049 -0.0004 268 ALA 20 C 0.0054 0.0030 0.0008 269 ALA 20 O 0.0069 0.0016 -0.0008 270 VAL 21 N 0.0036 0.0045 -0.0004 271 VAL 21 HN 0.0028 0.0057 0.0002 272 VAL 21 CA 0.0035 0.0032 -0.0014 273 VAL 21 HA 0.0044 0.0019 -0.0020 274 VAL 21 CB 0.0043 0.0038 -0.0006 275 VAL 21 HB 0.0033 0.0052 -0.0001 276 VAL 21 CG1 0.0044 0.0024 -0.0016 277 VAL 21 HG11 0.0028 0.0022 -0.0025 278 VAL 21 HG12 0.0055 0.0011 -0.0022 279 VAL 21 HG13 0.0050 0.0029 -0.0010 280 VAL 21 CG2 0.0065 0.0042 0.0005 281 VAL 21 HG21 0.0072 0.0046 0.0011 282 VAL 21 HG22 0.0076 0.0030 0.0001 283 VAL 21 HG23 0.0065 0.0053 0.0014 284 VAL 21 C 0.0012 0.0032 -0.0024 285 VAL 21 O -0.0001 0.0045 -0.0019 286 LYS 22 N -0.0004 0.0040 -0.0061 287 LYS 22 HN 0.0014 0.0032 -0.0073 288 LYS 22 CA -0.0046 0.0017 -0.0046 289 LYS 22 HA -0.0065 0.0035 -0.0030 290 LYS 22 CB -0.0047 -0.0031 -0.0060 291 LYS 22 HB1 -0.0032 -0.0028 -0.0067 292 LYS 22 HB2 -0.0079 -0.0047 -0.0048 293 LYS 22 CG -0.0023 -0.0060 -0.0082 294 LYS 22 HG1 -0.0045 -0.0077 -0.0076 295 LYS 22 HG2 0.0001 -0.0039 -0.0088 296 LYS 22 CD -0.0002 -0.0094 -0.0104 297 LYS 22 HD1 0.0017 -0.0108 -0.0119 298 LYS 22 HD2 0.0020 -0.0077 -0.0110 299 LYS 22 CE -0.0031 -0.0132 -0.0101 300 LYS 22 HE1 -0.0046 -0.0119 -0.0089 301 LYS 22 HE2 -0.0054 -0.0147 -0.0093 302 LYS 22 NZ -0.0007 -0.0166 -0.0124 303 LYS 22 HZ1 -0.0024 -0.0196 -0.0124 304 LYS 22 HZ2 0.0016 -0.0156 -0.0133 305 LYS 22 HZ3 0.0012 -0.0174 -0.0136 306 LYS 22 C -0.0062 0.0017 -0.0037 307 LYS 22 O -0.0039 0.0022 -0.0048 308 THR 23 N -0.0100 0.0032 -0.0074 309 THR 23 HN -0.0082 0.0039 -0.0087 310 THR 23 CA -0.0131 0.0021 -0.0059 311 THR 23 HA -0.0155 0.0017 -0.0058 312 THR 23 CB -0.0143 0.0027 -0.0079 313 THR 23 HB -0.0118 0.0031 -0.0079 314 THR 23 OG1 -0.0155 0.0039 -0.0114 315 THR 23 HG1 -0.0160 0.0043 -0.0125 316 THR 23 CG2 -0.0176 0.0015 -0.0062 317 THR 23 HG21 -0.0186 0.0020 -0.0079 318 THR 23 HG22 -0.0168 0.0006 -0.0036 319 THR 23 HG23 -0.0200 0.0011 -0.0060 320 THR 23 C -0.0119 0.0007 -0.0021 321 THR 23 O -0.0087 0.0009 -0.0013 322 HIS 24 N -0.0104 0.0036 0.0018 323 HIS 24 HN -0.0130 0.0070 0.0012 324 HIS 24 CA -0.0091 -0.0017 0.0052 325 HIS 24 HA -0.0072 -0.0051 0.0064 326 HIS 24 CB -0.0052 -0.0025 0.0024 327 HIS 24 HB1 -0.0071 0.0011 0.0010 328 HIS 24 HB2 -0.0015 -0.0025 -0.0011 329 HIS 24 CD2 -0.0023 -0.0087 0.0051 330 HIS 24 HD2 -0.0026 -0.0059 0.0029 331 HIS 24 CG -0.0034 -0.0078 0.0053 332 HIS 24 NE2 -0.0005 -0.0144 0.0084 333 HIS 24 HE2 0.0011 -0.0166 0.0088 334 HIS 24 ND1 -0.0024 -0.0126 0.0086 335 HIS 24 HD1 -0.0029 -0.0131 0.0095 336 HIS 24 CE1 -0.0006 -0.0165 0.0103 337 HIS 24 HE1 0.0006 -0.0209 0.0130 338 HIS 24 C -0.0142 -0.0020 0.0102 339 HIS 24 O -0.0179 0.0019 0.0103 340 HIS 25 N -0.0111 -0.0046 0.0227 341 HIS 25 HN -0.0080 -0.0140 0.0213 342 HIS 25 CA -0.0172 -0.0043 0.0329 343 HIS 25 HA -0.0220 0.0041 0.0376 344 HIS 25 CB -0.0192 -0.0175 0.0416 345 HIS 25 HB1 -0.0216 -0.0181 0.0458 346 HIS 25 HB2 -0.0235 -0.0175 0.0489 347 HIS 25 CD2 -0.0103 -0.0383 0.0350 348 HIS 25 HD2 -0.0125 -0.0371 0.0382 349 HIS 25 CG -0.0126 -0.0301 0.0356 350 HIS 25 NE2 -0.0042 -0.0488 0.0289 351 HIS 25 HE2 -0.0011 -0.0564 0.0267 352 HIS 25 ND1 -0.0082 -0.0354 0.0303 353 HIS 25 HD1 -0.0087 -0.0317 0.0296 354 HIS 25 CE1 -0.0032 -0.0467 0.0263 355 HIS 25 HE1 0.0012 -0.0533 0.0215 356 HIS 25 C -0.0154 -0.0021 0.0290 357 HIS 25 O -0.0205 0.0030 0.0356 358 GLY 26 N -0.0027 -0.0012 0.0215 359 GLY 26 HN -0.0046 -0.0028 0.0217 360 GLY 26 CA -0.0027 0.0012 0.0191 361 GLY 26 HA1 -0.0010 0.0019 0.0197 362 GLY 26 HA2 -0.0049 0.0007 0.0180 363 GLY 26 C -0.0022 0.0035 0.0173 364 GLY 26 O -0.0027 0.0031 0.0173 365 HIS 27 N 0.0067 0.0008 0.0100 366 HIS 27 HN 0.0073 -0.0123 0.0187 367 HIS 27 CA 0.0079 0.0042 0.0034 368 HIS 27 HA 0.0122 -0.0113 0.0012 369 HIS 27 CB 0.0107 0.0178 -0.0170 370 HIS 27 HB1 0.0116 0.0185 -0.0206 371 HIS 27 HB2 0.0065 0.0340 -0.0158 372 HIS 27 CD2 0.0202 0.0158 -0.0473 373 HIS 27 HD2 0.0166 0.0305 -0.0471 374 HIS 27 CG 0.0182 0.0082 -0.0346 375 HIS 27 NE2 0.0277 0.0002 -0.0604 376 HIS 27 HE2 0.0309 0.0002 -0.0709 377 HIS 27 ND1 0.0245 -0.0116 -0.0399 378 HIS 27 HD1 0.0247 -0.0207 -0.0332 379 HIS 27 CE1 0.0301 -0.0158 -0.0553 380 HIS 27 HE1 0.0358 -0.0306 -0.0630 381 HIS 27 C 0.0004 0.0127 0.0216 382 HIS 27 O -0.0056 0.0265 0.0308 383 HIS 28 N 0.0141 0.0234 0.0119 384 HIS 28 HN 0.0171 0.0314 0.0154 385 HIS 28 CA 0.0068 0.0248 0.0010 386 HIS 28 HA 0.0063 0.0349 -0.0008 387 HIS 28 CB 0.0051 0.0214 -0.0011 388 HIS 28 HB1 0.0086 0.0280 0.0034 389 HIS 28 HB2 -0.0006 0.0232 -0.0096 390 HIS 28 CD2 0.0108 0.0047 0.0089 391 HIS 28 HD2 0.0147 0.0106 0.0140 392 HIS 28 CG 0.0063 0.0081 0.0020 393 HIS 28 NE2 0.0100 -0.0083 0.0090 394 HIS 28 HE2 0.0126 -0.0133 0.0133 395 HIS 28 ND1 0.0025 -0.0031 -0.0025 396 HIS 28 HD1 -0.0013 -0.0040 -0.0080 397 HIS 28 CE1 0.0050 -0.0126 0.0021 398 HIS 28 HE1 0.0032 -0.0225 0.0004 399 HIS 28 C 0.0005 0.0195 -0.0076 400 HIS 28 O -0.0052 0.0247 -0.0165 401 ASP 29 N 0.0060 0.0089 0.0040 402 ASP 29 HN 0.0049 0.0057 0.0103 403 ASP 29 CA 0.0060 0.0085 -0.0011 404 ASP 29 HA 0.0053 0.0055 -0.0082 405 ASP 29 CB 0.0040 0.0020 0.0041 406 ASP 29 HB1 0.0039 0.0016 0.0003 407 ASP 29 HB2 0.0045 0.0045 0.0115 408 ASP 29 CG 0.0011 -0.0077 0.0045 409 ASP 29 OD1 -0.0006 -0.0131 0.0105 410 ASP 29 OD2 0.0005 -0.0100 -0.0012 411 ASP 29 C 0.0088 0.0181 -0.0029 412 ASP 29 O 0.0105 0.0242 0.0033 413 HIS 30 N 0.0308 0.0112 0.0140 414 HIS 30 HN 0.0546 -0.0107 0.0016 415 HIS 30 CA 0.0178 0.0513 -0.0111 416 HIS 30 HA -0.0081 0.0689 0.0094 417 HIS 30 CB 0.0355 0.0507 -0.0381 418 HIS 30 HB1 0.0242 0.0818 -0.0557 419 HIS 30 HB2 0.0618 0.0345 -0.0610 420 HIS 30 CD2 0.0585 -0.0048 -0.0113 421 HIS 30 HD2 0.0846 -0.0250 -0.0292 422 HIS 30 CG 0.0339 0.0298 -0.0119 423 HIS 30 NE2 0.0434 -0.0098 0.0180 424 HIS 30 HE2 0.0544 -0.0329 0.0271 425 HIS 30 ND1 0.0042 0.0466 0.0156 426 HIS 30 HD1 -0.0179 0.0723 0.0209 427 HIS 30 CE1 0.0108 0.0220 0.0330 428 HIS 30 HE1 -0.0075 0.0257 0.0575 429 HIS 30 C 0.0219 0.0718 -0.0407 430 HIS 30 O 0.0462 0.0539 -0.0585 431 HIS 31 N 0.0175 0.0081 -0.0031 432 HIS 31 HN 0.0182 0.0088 -0.0034 433 HIS 31 CA 0.0167 0.0101 -0.0009 434 HIS 31 HA 0.0149 0.0087 -0.0000 435 HIS 31 CB 0.0163 0.0123 0.0010 436 HIS 31 HB1 0.0159 0.0140 0.0026 437 HIS 31 HB2 0.0180 0.0135 0.0000 438 HIS 31 CD2 0.0141 0.0096 0.0014 439 HIS 31 HD2 0.0155 0.0092 -0.0003 440 HIS 31 CG 0.0141 0.0108 0.0022 441 HIS 31 NE2 0.0117 0.0088 0.0034 442 HIS 31 HE2 0.0110 0.0077 0.0034 443 HIS 31 ND1 0.0119 0.0109 0.0047 444 HIS 31 HD1 0.0114 0.0117 0.0057 445 HIS 31 CE1 0.0104 0.0096 0.0053 446 HIS 31 HE1 0.0085 0.0093 0.0071 447 HIS 31 C 0.0183 0.0119 -0.0015 448 HIS 31 O 0.0206 0.0126 -0.0033 449 THR 32 N 0.0137 -0.0021 0.0016 450 THR 32 HN 0.0136 -0.0021 0.0015 451 THR 32 CA 0.0138 -0.0020 0.0015 452 THR 32 HA 0.0139 -0.0020 0.0016 453 THR 32 CB 0.0138 -0.0018 0.0015 454 THR 32 HB 0.0137 -0.0018 0.0014 455 THR 32 OG1 0.0139 -0.0018 0.0015 456 THR 32 HG1 0.0139 -0.0019 0.0015 457 THR 32 CG2 0.0139 -0.0017 0.0014 458 THR 32 HG21 0.0139 -0.0015 0.0014 459 THR 32 HG22 0.0138 -0.0016 0.0014 460 THR 32 HG23 0.0140 -0.0017 0.0015 461 THR 32 C 0.0137 -0.0020 0.0015 462 THR 32 O 0.0135 -0.0020 0.0014 463 HIS 33 N 0.0126 -0.0016 0.0068 464 HIS 33 HN 0.0118 -0.0008 0.0085 465 HIS 33 CA 0.0131 -0.0046 0.0067 466 HIS 33 HA 0.0140 -0.0053 0.0046 467 HIS 33 CB 0.0128 -0.0062 0.0082 468 HIS 33 HB1 0.0132 -0.0086 0.0083 469 HIS 33 HB2 0.0119 -0.0056 0.0104 470 HIS 33 CD2 0.0137 -0.0041 0.0047 471 HIS 33 HD2 0.0141 -0.0029 0.0032 472 HIS 33 CG 0.0132 -0.0057 0.0070 473 HIS 33 NE2 0.0138 -0.0042 0.0046 474 HIS 33 HE2 0.0141 -0.0031 0.0032 475 HIS 33 ND1 0.0129 -0.0068 0.0083 476 HIS 33 HD1 0.0124 -0.0080 0.0100 477 HIS 33 CE1 0.0132 -0.0058 0.0068 478 HIS 33 HE1 0.0131 -0.0062 0.0073 479 HIS 33 C 0.0127 -0.0054 0.0080 480 HIS 33 O 0.0118 -0.0046 0.0103 481 PHE 34 N 0.0067 -0.0023 0.0054 482 PHE 34 HN 0.0052 -0.0031 0.0047 483 PHE 34 CA 0.0071 -0.0002 0.0045 484 PHE 34 HA 0.0087 0.0008 0.0051 485 PHE 34 CB 0.0056 0.0012 0.0026 486 PHE 34 HB1 0.0059 0.0027 0.0019 487 PHE 34 HB2 0.0040 0.0002 0.0019 488 PHE 34 CG 0.0061 0.0022 0.0024 489 PHE 34 CD1 0.0080 0.0040 0.0027 490 PHE 34 HD1 0.0091 0.0047 0.0032 491 PHE 34 CE1 0.0084 0.0050 0.0025 492 PHE 34 HE1 0.0098 0.0064 0.0027 493 PHE 34 CZ 0.0069 0.0042 0.0018 494 PHE 34 HZ 0.0072 0.0050 0.0016 495 PHE 34 CD2 0.0047 0.0014 0.0018 496 PHE 34 HD2 0.0033 0.0001 0.0015 497 PHE 34 CE2 0.0051 0.0024 0.0015 498 PHE 34 HE2 0.0040 0.0018 0.0011 499 PHE 34 C 0.0069 -0.0008 0.0047 500 PHE 34 O 0.0053 -0.0021 0.0042 501 HIS 35 N 0.0048 -0.0033 0.0036 502 HIS 35 HN 0.0065 -0.0005 0.0046 503 HIS 35 CA 0.0050 -0.0055 0.0051 504 HIS 35 HA 0.0032 -0.0087 0.0041 505 HIS 35 CB 0.0078 -0.0064 0.0098 506 HIS 35 HB1 0.0083 -0.0075 0.0111 507 HIS 35 HB2 0.0097 -0.0032 0.0109 508 HIS 35 CD2 0.0082 -0.0097 0.0122 509 HIS 35 HD2 0.0090 -0.0067 0.0118 510 HIS 35 CG 0.0075 -0.0100 0.0114 511 HIS 35 NE2 0.0077 -0.0139 0.0138 512 HIS 35 HE2 0.0080 -0.0147 0.0146 513 HIS 35 ND1 0.0067 -0.0146 0.0126 514 HIS 35 HD1 0.0062 -0.0160 0.0126 515 HIS 35 CE1 0.0069 -0.0168 0.0140 516 HIS 35 HE1 0.0063 -0.0204 0.0152 517 HIS 35 C 0.0051 -0.0024 0.0036 518 HIS 35 O 0.0068 0.0016 0.0040 519 VAL 36 N -0.0032 0.0018 0.0002 520 VAL 36 HN -0.0064 0.0009 0.0019 521 VAL 36 CA -0.0037 0.0026 -0.0053 522 VAL 36 HA -0.0001 0.0037 -0.0071 523 VAL 36 CB -0.0079 0.0022 -0.0078 524 VAL 36 HB -0.0117 0.0011 -0.0059 525 VAL 36 CG1 -0.0086 0.0030 -0.0136 526 VAL 36 HG11 -0.0101 0.0029 -0.0144 527 VAL 36 HG12 -0.0049 0.0041 -0.0156 528 VAL 36 HG13 -0.0114 0.0028 -0.0154 529 VAL 36 CG2 -0.0065 0.0024 -0.0069 530 VAL 36 HG21 -0.0029 0.0034 -0.0089 531 VAL 36 HG22 -0.0060 0.0018 -0.0028 532 VAL 36 HG23 -0.0096 0.0020 -0.0086 533 VAL 36 C -0.0050 0.0025 -0.0062 534 VAL 36 O -0.0086 0.0015 -0.0041 535 GLU 37 N -0.0104 0.0029 -0.0087 536 GLU 37 HN -0.0092 0.0040 -0.0096 537 GLU 37 CA -0.0098 0.0030 -0.0084 538 GLU 37 HA -0.0111 0.0017 -0.0073 539 GLU 37 CB -0.0070 0.0038 -0.0069 540 GLU 37 HB1 -0.0056 0.0052 -0.0081 541 GLU 37 HB2 -0.0066 0.0029 -0.0051 542 GLU 37 CG -0.0062 0.0037 -0.0061 543 GLU 37 HG1 -0.0077 0.0023 -0.0050 544 GLU 37 HG2 -0.0063 0.0046 -0.0078 545 GLU 37 CD -0.0035 0.0041 -0.0043 546 GLU 37 OE1 -0.0016 0.0058 -0.0052 547 GLU 37 OE2 -0.0034 0.0029 -0.0019 548 GLU 37 C -0.0104 0.0042 -0.0110 549 GLU 37 O -0.0097 0.0056 -0.0129 550 ASN 38 N -0.0109 0.0013 -0.0101 551 ASN 38 HN -0.0094 -0.0049 -0.0056 552 ASN 38 CA -0.0112 0.0042 -0.0113 553 ASN 38 HA -0.0144 0.0080 -0.0185 554 ASN 38 CB -0.0125 -0.0059 -0.0116 555 ASN 38 HB1 -0.0164 -0.0097 -0.0186 556 ASN 38 HB2 -0.0120 -0.0036 -0.0113 557 ASN 38 CG -0.0092 -0.0141 -0.0032 558 ASN 38 OD1 -0.0048 -0.0122 0.0052 559 ASN 38 ND2 -0.0115 -0.0239 -0.0056 560 ASN 38 HD21 -0.0093 -0.0292 -0.0001 561 ASN 38 HD22 -0.0151 -0.0256 -0.0125 562 ASN 38 C -0.0069 0.0125 -0.0045 563 ASN 38 O -0.0028 0.0132 0.0037 564 HIS 39 N -0.0121 0.0120 -0.0044 565 HIS 39 HN -0.0138 0.0125 -0.0045 566 HIS 39 CA -0.0117 0.0144 -0.0030 567 HIS 39 HA -0.0091 0.0143 -0.0025 568 HIS 39 CB -0.0138 0.0143 -0.0035 569 HIS 39 HB1 -0.0140 0.0165 -0.0024 570 HIS 39 HB2 -0.0164 0.0139 -0.0043 571 HIS 39 CD2 -0.0134 0.0091 -0.0061 572 HIS 39 HD2 -0.0150 0.0078 -0.0071 573 HIS 39 CG -0.0125 0.0119 -0.0045 574 HIS 39 NE2 -0.0115 0.0079 -0.0063 575 HIS 39 HE2 -0.0112 0.0057 -0.0074 576 HIS 39 ND1 -0.0102 0.0126 -0.0036 577 HIS 39 HD1 -0.0092 0.0145 -0.0024 578 HIS 39 CE1 -0.0097 0.0101 -0.0048 579 HIS 39 HE1 -0.0079 0.0098 -0.0045 580 HIS 39 C -0.0125 0.0174 -0.0016 581 HIS 39 O -0.0139 0.0196 -0.0008 582 GLY 40 N -0.0048 -0.0003 0.0243 583 GLY 40 HN 0.0078 -0.0054 0.0143 584 GLY 40 CA 0.0014 -0.0031 0.0430 585 GLY 40 HA1 -0.0114 0.0021 0.0574 586 GLY 40 HA2 0.0180 -0.0100 0.0499 587 GLY 40 C 0.0037 -0.0039 0.0322 588 GLY 40 O 0.0127 -0.0074 0.0121 589 GLY 41 N -0.0031 0.0134 0.0203 590 GLY 41 HN -0.0034 0.0185 0.0273 591 GLY 41 CA -0.0090 0.0138 0.0149 592 GLY 41 HA1 -0.0120 0.0195 0.0201 593 GLY 41 HA2 -0.0039 0.0086 0.0125 594 GLY 41 C -0.0180 0.0134 0.0053 595 GLY 41 O -0.0214 0.0114 -0.0010 596 LYS 42 N -0.0130 0.0072 0.0071 597 LYS 42 HN -0.0172 0.0069 0.0083 598 LYS 42 CA -0.0155 0.0110 0.0014 599 LYS 42 HA -0.0098 0.0117 -0.0007 600 LYS 42 CB -0.0224 0.0099 0.0043 601 LYS 42 HB1 -0.0256 0.0132 -0.0005 602 LYS 42 HB2 -0.0275 0.0082 0.0078 603 LYS 42 CG -0.0183 0.0068 0.0087 604 LYS 42 HG1 -0.0151 0.0034 0.0136 605 LYS 42 HG2 -0.0130 0.0085 0.0049 606 LYS 42 CD -0.0247 0.0060 0.0109 607 LYS 42 HD1 -0.0209 0.0045 0.0127 608 LYS 42 HD2 -0.0279 0.0096 0.0057 609 LYS 42 CE -0.0320 0.0031 0.0168 610 LYS 42 HE1 -0.0363 0.0029 0.0178 611 LYS 42 HE2 -0.0358 0.0045 0.0151 612 LYS 42 NZ -0.0281 -0.0017 0.0240 613 LYS 42 HZ1 -0.0329 -0.0038 0.0282 614 LYS 42 HZ2 -0.0239 -0.0031 0.0254 615 LYS 42 HZ3 -0.0244 -0.0017 0.0233 616 LYS 42 C -0.0183 0.0154 -0.0053 617 LYS 42 O -0.0224 0.0152 -0.0044 618 VAL 43 N -0.0138 0.0072 -0.0095 619 VAL 43 HN -0.0137 0.0074 -0.0109 620 VAL 43 CA -0.0139 0.0074 -0.0098 621 VAL 43 HA -0.0136 0.0067 -0.0084 622 VAL 43 CB -0.0130 0.0067 -0.0120 623 VAL 43 HB -0.0131 0.0067 -0.0120 624 VAL 43 CG1 -0.0115 0.0045 -0.0120 625 VAL 43 HG11 -0.0108 0.0039 -0.0134 626 VAL 43 HG12 -0.0112 0.0037 -0.0104 627 VAL 43 HG13 -0.0113 0.0044 -0.0121 628 VAL 43 CG2 -0.0134 0.0078 -0.0142 629 VAL 43 HG21 -0.0127 0.0071 -0.0158 630 VAL 43 HG22 -0.0134 0.0078 -0.0143 631 VAL 43 HG23 -0.0145 0.0093 -0.0144 632 VAL 43 C -0.0154 0.0095 -0.0099 633 VAL 43 O -0.0162 0.0108 -0.0101 634 ALA 44 N -0.0110 0.0088 -0.0068 635 ALA 44 HN -0.0110 0.0082 -0.0065 636 ALA 44 CA -0.0105 0.0090 -0.0065 637 ALA 44 HA -0.0106 0.0097 -0.0069 638 ALA 44 CB -0.0095 0.0093 -0.0058 639 ALA 44 HB1 -0.0093 0.0099 -0.0060 640 ALA 44 HB2 -0.0093 0.0086 -0.0054 641 ALA 44 HB3 -0.0091 0.0095 -0.0056 642 ALA 44 C -0.0107 0.0081 -0.0063 643 ALA 44 O -0.0110 0.0073 -0.0060 644 LEU 45 N -0.0022 0.0074 -0.0037 645 LEU 45 HN -0.0012 0.0083 -0.0043 646 LEU 45 CA -0.0025 0.0068 -0.0025 647 LEU 45 HA -0.0037 0.0058 -0.0021 648 LEU 45 CB -0.0025 0.0072 -0.0036 649 LEU 45 HB1 -0.0026 0.0067 -0.0026 650 LEU 45 HB2 -0.0012 0.0082 -0.0040 651 LEU 45 CG -0.0039 0.0070 -0.0054 652 LEU 45 HG -0.0038 0.0075 -0.0064 653 LEU 45 CD1 -0.0036 0.0076 -0.0064 654 LEU 45 HD11 -0.0046 0.0075 -0.0077 655 LEU 45 HD12 -0.0024 0.0086 -0.0069 656 LEU 45 HD13 -0.0037 0.0072 -0.0055 657 LEU 45 CD2 -0.0057 0.0057 -0.0049 658 LEU 45 HD21 -0.0057 0.0052 -0.0035 659 LEU 45 HD22 -0.0062 0.0054 -0.0049 660 LEU 45 HD23 -0.0066 0.0056 -0.0060 661 LEU 45 C -0.0011 0.0069 -0.0008 662 LEU 45 O 0.0004 0.0079 -0.0009 663 LYS 46 N 0.0085 0.0009 0.0009 664 LYS 46 HN 0.0073 0.0000 0.0010 665 LYS 46 CA 0.0102 0.0006 0.0026 666 LYS 46 HA 0.0113 0.0016 0.0023 667 LYS 46 CB 0.0114 0.0005 0.0035 668 LYS 46 HB1 0.0117 0.0016 0.0025 669 LYS 46 HB2 0.0128 0.0005 0.0045 670 LYS 46 CG 0.0103 -0.0011 0.0044 671 LYS 46 HG1 0.0101 -0.0023 0.0055 672 LYS 46 HG2 0.0088 -0.0012 0.0034 673 LYS 46 CD 0.0115 -0.0009 0.0051 674 LYS 46 HD1 0.0115 0.0002 0.0039 675 LYS 46 HD2 0.0131 -0.0005 0.0059 676 LYS 46 CE 0.0108 -0.0024 0.0062 677 LYS 46 HE1 0.0109 -0.0035 0.0075 678 LYS 46 HE2 0.0092 -0.0029 0.0055 679 LYS 46 NZ 0.0120 -0.0020 0.0067 680 LYS 46 HZ1 0.0115 -0.0014 0.0056 681 LYS 46 HZ2 0.0119 -0.0031 0.0077 682 LYS 46 HZ3 0.0135 -0.0012 0.0069 683 LYS 46 C 0.0096 -0.0010 0.0038 684 LYS 46 O 0.0078 -0.0021 0.0037 685 THR 47 N 0.0151 -0.0000 0.0048 686 THR 47 HN 0.0155 0.0003 0.0049 687 THR 47 CA 0.0148 -0.0017 0.0046 688 THR 47 HA 0.0137 -0.0018 0.0046 689 THR 47 CB 0.0145 -0.0025 0.0045 690 THR 47 HB 0.0140 -0.0037 0.0043 691 THR 47 OG1 0.0158 -0.0026 0.0044 692 THR 47 HG1 0.0154 -0.0030 0.0043 693 THR 47 CG2 0.0132 -0.0016 0.0047 694 THR 47 HG21 0.0136 -0.0005 0.0048 695 THR 47 HG22 0.0129 -0.0023 0.0046 696 THR 47 HG23 0.0121 -0.0015 0.0047 697 THR 47 C 0.0161 -0.0025 0.0044 698 THR 47 O 0.0173 -0.0019 0.0044 699 HIS 48 N 0.0162 -0.0040 0.0076 700 HIS 48 HN 0.0159 -0.0040 0.0073 701 HIS 48 CA 0.0161 -0.0052 0.0095 702 HIS 48 HA 0.0152 -0.0059 0.0093 703 HIS 48 CB 0.0156 -0.0062 0.0104 704 HIS 48 HB1 0.0142 -0.0067 0.0095 705 HIS 48 HB2 0.0155 -0.0072 0.0118 706 HIS 48 CD2 0.0179 -0.0056 0.0122 707 HIS 48 HD2 0.0181 -0.0064 0.0136 708 HIS 48 CG 0.0168 -0.0054 0.0106 709 HIS 48 NE2 0.0187 -0.0046 0.0115 710 HIS 48 HE2 0.0195 -0.0045 0.0123 711 HIS 48 ND1 0.0169 -0.0043 0.0090 712 HIS 48 HD1 0.0162 -0.0040 0.0076 713 HIS 48 CE1 0.0180 -0.0039 0.0096 714 HIS 48 HE1 0.0184 -0.0031 0.0088 715 HIS 48 C 0.0179 -0.0047 0.0108 716 HIS 48 O 0.0180 -0.0055 0.0120 717 CYS 49 N 0.0281 -0.0075 -0.0091 718 CYS 49 HN 0.0232 -0.0101 -0.0010 719 CYS 49 CA 0.0309 -0.0148 -0.0196 720 CYS 49 HA 0.0353 -0.0138 -0.0278 721 CYS 49 CB 0.0251 -0.0292 -0.0178 722 CYS 49 HB1 0.0209 -0.0302 -0.0100 723 CYS 49 HB2 0.0229 -0.0320 -0.0154 724 CYS 49 SG 0.0280 -0.0401 -0.0312 725 CYS 49 HG1 0.0320 -0.0325 -0.0339 726 CYS 49 C 0.0334 -0.0096 -0.0211 727 CYS 49 O 0.0359 -0.0144 -0.0294 728 GLY 50 N 0.0197 -0.0050 0.0002 729 GLY 50 HN 0.0189 -0.0048 0.0010 730 GLY 50 CA 0.0211 -0.0024 0.0014 731 GLY 50 HA1 0.0232 -0.0024 0.0000 732 GLY 50 HA2 0.0215 -0.0006 0.0026 733 GLY 50 C 0.0191 -0.0019 0.0031 734 GLY 50 O 0.0203 -0.0003 0.0037 735 LYS 51 N 0.0148 0.0009 0.0040 736 LYS 51 HN 0.0161 0.0022 0.0020 737 LYS 51 CA 0.0126 -0.0002 0.0060 738 LYS 51 HA 0.0104 -0.0011 0.0075 739 LYS 51 CB 0.0105 0.0014 0.0039 740 LYS 51 HB1 0.0087 0.0005 0.0055 741 LYS 51 HB2 0.0127 0.0021 0.0026 742 LYS 51 CG 0.0079 0.0034 0.0014 743 LYS 51 HG1 0.0070 0.0046 -0.0002 744 LYS 51 HG2 0.0095 0.0043 -0.0001 745 LYS 51 CD 0.0041 0.0028 0.0029 746 LYS 51 HD1 0.0050 0.0015 0.0047 747 LYS 51 HD2 0.0025 0.0020 0.0043 748 LYS 51 CE 0.0017 0.0048 0.0004 749 LYS 51 HE1 0.0013 0.0062 -0.0016 750 LYS 51 HE2 0.0031 0.0053 -0.0006 751 LYS 51 NZ -0.0022 0.0042 0.0018 752 LYS 51 HZ1 -0.0038 0.0056 0.0001 753 LYS 51 HZ2 -0.0038 0.0039 0.0025 754 LYS 51 HZ3 -0.0021 0.0028 0.0039 755 LYS 51 C 0.0154 -0.0020 0.0081 756 LYS 51 O 0.0186 -0.0016 0.0071 757 TYR 52 N 0.0064 -0.0024 0.0068 758 TYR 52 HN 0.0082 -0.0022 0.0064 759 TYR 52 CA 0.0048 -0.0007 0.0056 760 TYR 52 HA 0.0031 -0.0009 0.0060 761 TYR 52 CB 0.0058 0.0011 0.0041 762 TYR 52 HB1 0.0047 0.0024 0.0032 763 TYR 52 HB2 0.0077 0.0012 0.0037 764 TYR 52 CG 0.0057 0.0010 0.0042 765 TYR 52 CD1 0.0073 -0.0002 0.0049 766 TYR 52 HD1 0.0087 -0.0011 0.0055 767 TYR 52 CE1 0.0072 -0.0003 0.0050 768 TYR 52 HE1 0.0085 -0.0012 0.0056 769 TYR 52 CZ 0.0055 0.0009 0.0043 770 TYR 52 OH 0.0054 0.0008 0.0044 771 TYR 52 HH 0.0041 0.0018 0.0037 772 TYR 52 CD2 0.0040 0.0022 0.0034 773 TYR 52 HD2 0.0027 0.0031 0.0028 774 TYR 52 CE2 0.0039 0.0021 0.0035 775 TYR 52 HE2 0.0025 0.0031 0.0029 776 TYR 52 C 0.0042 -0.0003 0.0054 777 TYR 52 O 0.0058 -0.0003 0.0052 778 LEU 53 N 0.0040 0.0038 0.0034 779 LEU 53 HN 0.0042 0.0035 0.0033 780 LEU 53 CA 0.0039 0.0040 0.0031 781 LEU 53 HA 0.0037 0.0044 0.0030 782 LEU 53 CB 0.0042 0.0038 0.0026 783 LEU 53 HB1 0.0042 0.0039 0.0025 784 LEU 53 HB2 0.0045 0.0034 0.0027 785 LEU 53 CG 0.0043 0.0040 0.0021 786 LEU 53 HG 0.0040 0.0044 0.0020 787 LEU 53 CD1 0.0044 0.0038 0.0021 788 LEU 53 HD11 0.0045 0.0039 0.0018 789 LEU 53 HD12 0.0042 0.0039 0.0025 790 LEU 53 HD13 0.0047 0.0034 0.0022 791 LEU 53 CD2 0.0045 0.0038 0.0016 792 LEU 53 HD21 0.0044 0.0040 0.0015 793 LEU 53 HD22 0.0046 0.0040 0.0012 794 LEU 53 HD23 0.0048 0.0035 0.0016 795 LEU 53 C 0.0038 0.0040 0.0035 796 LEU 53 O 0.0040 0.0036 0.0039 797 SER 54 N -0.0031 0.0046 0.0044 798 SER 54 HN -0.0026 0.0049 0.0048 799 SER 54 CA -0.0029 0.0035 0.0037 800 SER 54 HA -0.0033 0.0032 0.0033 801 SER 54 CB -0.0034 0.0032 0.0033 802 SER 54 HB1 -0.0029 0.0035 0.0037 803 SER 54 HB2 -0.0043 0.0035 0.0032 804 SER 54 OG -0.0032 0.0022 0.0026 805 SER 54 HG1 -0.0038 0.0020 0.0023 806 SER 54 C -0.0016 0.0032 0.0039 807 SER 54 O -0.0010 0.0037 0.0044 808 ILE 55 N -0.0028 0.0063 -0.0012 809 ILE 55 HN -0.0038 0.0057 -0.0020 810 ILE 55 CA -0.0008 0.0057 -0.0012 811 ILE 55 HA -0.0000 0.0066 -0.0002 812 ILE 55 CB -0.0002 0.0049 -0.0016 813 ILE 55 HB -0.0007 0.0038 -0.0026 814 ILE 55 CG2 -0.0011 0.0059 -0.0010 815 ILE 55 HG21 -0.0007 0.0071 -0.0000 816 ILE 55 HG22 -0.0026 0.0060 -0.0014 817 ILE 55 HG23 -0.0005 0.0054 -0.0013 818 ILE 55 CG1 0.0020 0.0045 -0.0013 819 ILE 55 HG11 0.0026 0.0035 -0.0019 820 ILE 55 HG12 0.0023 0.0042 -0.0014 821 ILE 55 CD 0.0031 0.0058 0.0001 822 ILE 55 HD1 0.0030 0.0061 0.0002 823 ILE 55 HD2 0.0025 0.0069 0.0007 824 ILE 55 HD3 0.0046 0.0056 0.0003 825 ILE 55 C -0.0003 0.0047 -0.0018 826 ILE 55 O 0.0013 0.0040 -0.0019 827 GLY 56 N -0.0039 -0.0007 0.0011 828 GLY 56 HN -0.0062 0.0010 0.0009 829 GLY 56 CA -0.0042 -0.0028 -0.0001 830 GLY 56 HA1 -0.0035 -0.0013 0.0010 831 GLY 56 HA2 -0.0069 -0.0032 -0.0018 832 GLY 56 C -0.0017 -0.0066 -0.0009 833 GLY 56 O -0.0012 -0.0087 -0.0018 834 ASP 57 N 0.0055 -0.0037 -0.0027 835 ASP 57 HN -0.0052 0.0258 0.0151 836 ASP 57 CA 0.0290 -0.0122 -0.0201 837 ASP 57 HA 0.0239 -0.0488 -0.0313 838 ASP 57 CB 0.0133 0.0137 -0.0007 839 ASP 57 HB1 0.0307 0.0084 -0.0131 840 ASP 57 HB2 0.0182 0.0514 0.0111 841 ASP 57 CG -0.0339 -0.0021 0.0215 842 ASP 57 OD1 -0.0539 -0.0383 0.0194 843 ASP 57 OD2 -0.0496 0.0221 0.0402 844 ASP 57 C 0.0771 0.0059 -0.0418 845 ASP 57 O 0.1008 0.0097 -0.0545 846 HIS 58 N 0.0183 -0.0011 -0.0114 847 HIS 58 HN 0.0226 0.0015 -0.0133 848 HIS 58 CA 0.0100 -0.0069 -0.0082 849 HIS 58 HA 0.0055 -0.0054 -0.0034 850 HIS 58 CB 0.0089 -0.0172 -0.0137 851 HIS 58 HB1 0.0142 -0.0186 -0.0190 852 HIS 58 HB2 0.0092 -0.0185 -0.0148 853 HIS 58 CD2 0.0000 -0.0316 -0.0154 854 HIS 58 HD2 0.0047 -0.0339 -0.0208 855 HIS 58 CG 0.0010 -0.0243 -0.0117 856 HIS 58 NE2 -0.0085 -0.0360 -0.0112 857 HIS 58 HE2 -0.0113 -0.0419 -0.0125 858 HIS 58 ND1 -0.0067 -0.0240 -0.0050 859 HIS 58 HD1 -0.0079 -0.0194 -0.0012 860 HIS 58 CE1 -0.0122 -0.0311 -0.0050 861 HIS 58 HE1 -0.0189 -0.0331 -0.0006 862 HIS 58 C 0.0078 -0.0051 -0.0052 863 HIS 58 O 0.0129 -0.0001 -0.0063 864 LYS 59 N 0.0002 -0.0119 -0.0053 865 LYS 59 HN 0.0010 -0.0148 -0.0050 866 LYS 59 CA 0.0018 -0.0090 -0.0017 867 LYS 59 HA 0.0016 -0.0082 -0.0018 868 LYS 59 CB 0.0046 -0.0115 0.0020 869 LYS 59 HB1 0.0057 -0.0091 0.0046 870 LYS 59 HB2 0.0048 -0.0125 0.0020 871 LYS 59 CG 0.0056 -0.0156 0.0023 872 LYS 59 HG1 0.0076 -0.0169 0.0052 873 LYS 59 HG2 0.0048 -0.0183 0.0001 874 LYS 59 CD 0.0052 -0.0149 0.0018 875 LYS 59 HD1 0.0062 -0.0180 0.0024 876 LYS 59 HD2 0.0032 -0.0145 -0.0013 877 LYS 59 CE 0.0059 -0.0109 0.0043 878 LYS 59 HE1 0.0055 -0.0108 0.0037 879 LYS 59 HE2 0.0047 -0.0077 0.0034 880 LYS 59 NZ 0.0085 -0.0109 0.0084 881 LYS 59 HZ1 0.0096 -0.0140 0.0093 882 LYS 59 HZ2 0.0087 -0.0106 0.0090 883 LYS 59 HZ3 0.0089 -0.0083 0.0100 884 LYS 59 C 0.0012 -0.0045 -0.0012 885 LYS 59 O 0.0016 -0.0012 0.0005 886 GLN 60 N 0.0003 0.0025 -0.0014 887 GLN 60 HN -0.0011 0.0024 -0.0012 888 GLN 60 CA 0.0007 0.0039 -0.0027 889 GLN 60 HA 0.0023 0.0041 -0.0029 890 GLN 60 CB -0.0004 0.0053 -0.0039 891 GLN 60 HB1 0.0001 0.0063 -0.0049 892 GLN 60 HB2 -0.0021 0.0052 -0.0038 893 GLN 60 CG -0.0002 0.0054 -0.0040 894 GLN 60 HG1 -0.0007 0.0065 -0.0050 895 GLN 60 HG2 -0.0011 0.0045 -0.0031 896 GLN 60 CD 0.0020 0.0051 -0.0038 897 GLN 60 OE1 0.0025 0.0039 -0.0027 898 GLN 60 NE2 0.0033 0.0062 -0.0049 899 GLN 60 HE21 0.0029 0.0071 -0.0057 900 GLN 60 HE22 0.0046 0.0061 -0.0048 901 GLN 60 C 0.0002 0.0039 -0.0027 902 GLN 60 O -0.0013 0.0033 -0.0021 903 VAL 61 N 0.0014 0.0060 0.0001 904 VAL 61 HN 0.0016 0.0059 -0.0006 905 VAL 61 CA 0.0017 0.0053 0.0008 906 VAL 61 HA 0.0017 0.0050 0.0014 907 VAL 61 CB 0.0024 0.0046 0.0002 908 VAL 61 HB 0.0024 0.0049 -0.0005 909 VAL 61 CG1 0.0027 0.0040 0.0008 910 VAL 61 HG11 0.0027 0.0037 0.0016 911 VAL 61 HG12 0.0032 0.0035 0.0004 912 VAL 61 HG13 0.0024 0.0043 0.0010 913 VAL 61 CG2 0.0028 0.0042 -0.0001 914 VAL 61 HG21 0.0033 0.0036 -0.0005 915 VAL 61 HG22 0.0028 0.0039 0.0006 916 VAL 61 HG23 0.0027 0.0046 -0.0006 917 VAL 61 C 0.0013 0.0057 0.0013 918 VAL 61 O 0.0010 0.0062 0.0008 919 TYR 62 N 0.0013 0.0015 0.0049 920 TYR 62 HN 0.0015 0.0013 0.0052 921 TYR 62 CA 0.0011 0.0018 0.0053 922 TYR 62 HA 0.0008 0.0022 0.0050 923 TYR 62 CB 0.0008 0.0020 0.0061 924 TYR 62 HB1 0.0011 0.0016 0.0066 925 TYR 62 HB2 0.0006 0.0022 0.0061 926 TYR 62 CG 0.0004 0.0024 0.0065 927 TYR 62 CD1 0.0005 0.0022 0.0071 928 TYR 62 HD1 0.0009 0.0017 0.0073 929 TYR 62 CE1 0.0001 0.0026 0.0074 930 TYR 62 HE1 0.0002 0.0024 0.0078 931 TYR 62 CZ -0.0003 0.0032 0.0071 932 TYR 62 OH -0.0007 0.0035 0.0073 933 TYR 62 HH -0.0009 0.0039 0.0069 934 TYR 62 CD2 -0.0000 0.0030 0.0062 935 TYR 62 HD2 -0.0001 0.0032 0.0057 936 TYR 62 CE2 -0.0004 0.0034 0.0065 937 TYR 62 HE2 -0.0008 0.0039 0.0062 938 TYR 62 C 0.0015 0.0013 0.0054 939 TYR 62 O 0.0019 0.0007 0.0055 940 LEU 63 N 0.0068 0.0017 0.0074 941 LEU 63 HN 0.0054 0.0015 0.0069 942 LEU 63 CA 0.0085 0.0015 0.0063 943 LEU 63 HA 0.0098 0.0017 0.0070 944 LEU 63 CB 0.0084 0.0010 0.0042 945 LEU 63 HB1 0.0074 0.0007 0.0034 946 LEU 63 HB2 0.0078 0.0009 0.0040 947 LEU 63 CG 0.0105 0.0008 0.0032 948 LEU 63 HG 0.0113 0.0009 0.0036 949 LEU 63 CD1 0.0118 0.0010 0.0039 950 LEU 63 HD11 0.0110 0.0009 0.0035 951 LEU 63 HD12 0.0132 0.0008 0.0031 952 LEU 63 HD13 0.0120 0.0013 0.0055 953 LEU 63 CD2 0.0102 0.0002 0.0010 954 LEU 63 HD21 0.0117 0.0001 0.0002 955 LEU 63 HD22 0.0093 0.0001 0.0005 956 LEU 63 HD23 0.0095 0.0001 0.0005 957 LEU 63 C 0.0084 0.0015 0.0066 958 LEU 63 O 0.0070 0.0014 0.0061 959 SER 64 N 0.0038 -0.0037 0.0083 960 SER 64 HN 0.0044 -0.0038 0.0084 961 SER 64 CA 0.0024 -0.0044 0.0081 962 SER 64 HA 0.0020 -0.0047 0.0080 963 SER 64 CB 0.0025 -0.0058 0.0084 964 SER 64 HB1 0.0030 -0.0056 0.0084 965 SER 64 HB2 0.0032 -0.0065 0.0086 966 SER 64 OG 0.0012 -0.0065 0.0082 967 SER 64 HG1 0.0007 -0.0061 0.0080 968 SER 64 C 0.0014 -0.0035 0.0077 969 SER 64 O 0.0018 -0.0026 0.0076 970 HIS 65 N -0.0017 -0.0147 0.0098 971 HIS 65 HN -0.0046 -0.0213 0.0108 972 HIS 65 CA -0.0074 -0.0090 0.0036 973 HIS 65 HA -0.0038 -0.0015 0.0027 974 HIS 65 CB -0.0160 -0.0093 -0.0019 975 HIS 65 HB1 -0.0200 -0.0169 -0.0012 976 HIS 65 HB2 -0.0144 -0.0068 -0.0020 977 HIS 65 CD2 -0.0296 -0.0057 -0.0124 978 HIS 65 HD2 -0.0336 -0.0129 -0.0119 979 HIS 65 CG -0.0217 -0.0031 -0.0083 980 HIS 65 NE2 -0.0317 0.0028 -0.0175 981 HIS 65 HE2 -0.0370 0.0033 -0.0212 982 HIS 65 ND1 -0.0187 0.0070 -0.0108 983 HIS 65 HD1 -0.0132 0.0108 -0.0089 984 HIS 65 CE1 -0.0250 0.0102 -0.0163 985 HIS 65 HE1 -0.0248 0.0178 -0.0195 986 HIS 65 C -0.0095 -0.0127 0.0038 987 HIS 65 O -0.0137 -0.0210 0.0047 988 HIS 66 N -0.0023 -0.0046 0.0038 989 HIS 66 HN -0.0003 -0.0029 0.0004 990 HIS 66 CA 0.0003 -0.0083 0.0078 991 HIS 66 HA 0.0040 -0.0082 0.0059 992 HIS 66 CB -0.0035 -0.0094 0.0112 993 HIS 66 HB1 -0.0012 -0.0122 0.0140 994 HIS 66 HB2 -0.0074 -0.0095 0.0131 995 HIS 66 CD2 -0.0101 -0.0059 0.0094 996 HIS 66 HD2 -0.0138 -0.0068 0.0122 997 HIS 66 CG -0.0053 -0.0069 0.0085 998 HIS 66 NE2 -0.0094 -0.0037 0.0058 999 HIS 66 HE2 -0.0121 -0.0027 0.0057 1000 HIS 66 ND1 -0.0016 -0.0053 0.0045 1001 HIS 66 HD1 0.0023 -0.0055 0.0030 1002 HIS 66 CE1 -0.0043 -0.0034 0.0030 1003 HIS 66 HE1 -0.0025 -0.0017 -0.0001 1004 HIS 66 C 0.0029 -0.0111 0.0105 1005 HIS 66 O 0.0024 -0.0102 0.0096 1006 LEU 67 N 0.0003 -0.0033 -0.0022 1007 LEU 67 HN 0.0004 -0.0025 -0.0030 1008 LEU 67 CA -0.0014 -0.0013 -0.0027 1009 LEU 67 HA -0.0027 -0.0023 -0.0008 1010 LEU 67 CB -0.0036 0.0014 -0.0035 1011 LEU 67 HB1 -0.0024 0.0024 -0.0054 1012 LEU 67 HB2 -0.0049 0.0008 -0.0019 1013 LEU 67 CG -0.0059 0.0034 -0.0037 1014 LEU 67 HG -0.0047 0.0045 -0.0056 1015 LEU 67 CD1 -0.0072 0.0021 -0.0014 1016 LEU 67 HD11 -0.0055 0.0008 -0.0016 1017 LEU 67 HD12 -0.0082 0.0008 0.0005 1018 LEU 67 HD13 -0.0090 0.0037 -0.0016 1019 LEU 67 CD2 -0.0084 0.0056 -0.0038 1020 LEU 67 HD21 -0.0100 0.0072 -0.0040 1021 LEU 67 HD22 -0.0097 0.0046 -0.0019 1022 LEU 67 HD23 -0.0076 0.0067 -0.0054 1023 LEU 67 C 0.0006 -0.0009 -0.0046 1024 LEU 67 O 0.0021 0.0004 -0.0069 1025 HIS 68 N -0.0044 0.0003 -0.0071 1026 HIS 68 HN -0.0056 -0.0010 -0.0053 1027 HIS 68 CA -0.0047 -0.0004 -0.0068 1028 HIS 68 HA -0.0030 -0.0014 -0.0094 1029 HIS 68 CB -0.0063 -0.0040 -0.0043 1030 HIS 68 HB1 -0.0081 -0.0032 -0.0016 1031 HIS 68 HB2 -0.0057 -0.0069 -0.0051 1032 HIS 68 CD2 -0.0082 -0.0061 -0.0014 1033 HIS 68 HD2 -0.0100 -0.0060 0.0014 1034 HIS 68 CG -0.0064 -0.0053 -0.0041 1035 HIS 68 NE2 -0.0073 -0.0071 -0.0028 1036 HIS 68 HE2 -0.0081 -0.0074 -0.0015 1037 HIS 68 ND1 -0.0044 -0.0057 -0.0072 1038 HIS 68 HD1 -0.0028 -0.0053 -0.0097 1039 HIS 68 CE1 -0.0050 -0.0068 -0.0063 1040 HIS 68 HE1 -0.0038 -0.0073 -0.0080 1041 HIS 68 C -0.0053 0.0034 -0.0059 1042 HIS 68 O -0.0066 0.0061 -0.0039 1043 GLY 69 N 0.0004 0.0042 -0.0189 1044 GLY 69 HN 0.0034 -0.0021 -0.0224 1045 GLY 69 CA -0.0008 0.0130 -0.0192 1046 GLY 69 HA1 0.0025 0.0118 -0.0247 1047 GLY 69 HA2 -0.0013 0.0203 -0.0203 1048 GLY 69 C -0.0057 0.0136 -0.0104 1049 GLY 69 O -0.0090 0.0221 -0.0069 1050 ASP 70 N -0.0134 0.0019 -0.0025 1051 ASP 70 HN -0.0171 -0.0003 -0.0062 1052 ASP 70 CA -0.0147 0.0006 0.0039 1053 ASP 70 HA -0.0125 0.0017 0.0090 1054 ASP 70 CB -0.0219 -0.0043 0.0051 1055 ASP 70 HB1 -0.0229 -0.0054 0.0106 1056 ASP 70 HB2 -0.0243 -0.0056 0.0003 1057 ASP 70 CG -0.0248 -0.0063 0.0055 1058 ASP 70 OD1 -0.0232 -0.0056 0.0111 1059 ASP 70 OD2 -0.0284 -0.0083 -0.0001 1060 ASP 70 C -0.0118 0.0027 0.0029 1061 ASP 70 O -0.0109 0.0037 -0.0035 1062 HIS 71 N -0.0090 0.0044 -0.0036 1063 HIS 71 HN -0.0088 0.0048 -0.0049 1064 HIS 71 CA -0.0111 0.0050 0.0011 1065 HIS 71 HA -0.0127 0.0079 0.0011 1066 HIS 71 CB -0.0102 0.0016 0.0042 1067 HIS 71 HB1 -0.0118 0.0023 0.0076 1068 HIS 71 HB2 -0.0085 -0.0014 0.0042 1069 HIS 71 CD2 -0.0071 -0.0018 0.0011 1070 HIS 71 HD2 -0.0052 -0.0048 0.0008 1071 HIS 71 CG -0.0095 0.0014 0.0026 1072 HIS 71 NE2 -0.0075 -0.0004 0.0000 1073 HIS 71 HE2 -0.0062 -0.0020 -0.0013 1074 HIS 71 ND1 -0.0114 0.0047 0.0025 1075 HIS 71 HD1 -0.0133 0.0075 0.0034 1076 HIS 71 CE1 -0.0101 0.0035 0.0009 1077 HIS 71 HE1 -0.0110 0.0055 0.0003 1078 HIS 71 C -0.0122 0.0058 0.0030 1079 HIS 71 O -0.0120 0.0034 0.0063 1080 SER 72 N -0.0129 0.0084 0.0007 1081 SER 72 HN -0.0126 0.0097 -0.0005 1082 SER 72 CA -0.0132 0.0078 0.0013 1083 SER 72 HA -0.0138 0.0066 0.0028 1084 SER 72 CB -0.0113 0.0067 -0.0001 1085 SER 72 HB1 -0.0115 0.0061 0.0004 1086 SER 72 HB2 -0.0106 0.0080 -0.0017 1087 SER 72 OG -0.0100 0.0046 -0.0003 1088 SER 72 HG1 -0.0095 0.0052 -0.0012 1089 SER 72 C -0.0143 0.0100 0.0013 1090 SER 72 O -0.0144 0.0098 0.0015 1091 LEU 73 N -0.0287 0.0144 0.0004 1092 LEU 73 HN -0.0297 0.0140 0.0018 1093 LEU 73 CA -0.0260 0.0146 0.0007 1094 LEU 73 HA -0.0251 0.0150 -0.0010 1095 LEU 73 CB -0.0250 0.0142 0.0030 1096 LEU 73 HB1 -0.0229 0.0145 0.0029 1097 LEU 73 HB2 -0.0255 0.0139 0.0047 1098 LEU 73 CG -0.0261 0.0141 0.0034 1099 LEU 73 HG -0.0283 0.0138 0.0035 1100 LEU 73 CD1 -0.0251 0.0137 0.0058 1101 LEU 73 HD11 -0.0260 0.0135 0.0061 1102 LEU 73 HD12 -0.0256 0.0133 0.0074 1103 LEU 73 HD13 -0.0231 0.0139 0.0058 1104 LEU 73 CD2 -0.0255 0.0146 0.0012 1105 LEU 73 HD21 -0.0263 0.0148 -0.0006 1106 LEU 73 HD22 -0.0264 0.0144 0.0015 1107 LEU 73 HD23 -0.0235 0.0148 0.0010 1108 LEU 73 C -0.0250 0.0146 0.0009 1109 LEU 73 O -0.0261 0.0143 0.0023 1110 PHE 74 N -0.0129 0.0089 -0.0070 1111 PHE 74 HN -0.0145 0.0098 -0.0065 1112 PHE 74 CA -0.0116 0.0094 -0.0058 1113 PHE 74 HA -0.0098 0.0083 -0.0064 1114 PHE 74 CB -0.0109 0.0109 -0.0033 1115 PHE 74 HB1 -0.0100 0.0114 -0.0024 1116 PHE 74 HB2 -0.0126 0.0120 -0.0027 1117 PHE 74 CG -0.0089 0.0106 -0.0029 1118 PHE 74 CD1 -0.0097 0.0109 -0.0028 1119 PHE 74 HD1 -0.0117 0.0113 -0.0032 1120 PHE 74 CE1 -0.0079 0.0107 -0.0024 1121 PHE 74 HE1 -0.0085 0.0109 -0.0024 1122 PHE 74 CZ -0.0053 0.0102 -0.0019 1123 PHE 74 HZ -0.0039 0.0100 -0.0015 1124 PHE 74 CD2 -0.0063 0.0101 -0.0024 1125 PHE 74 HD2 -0.0057 0.0100 -0.0024 1126 PHE 74 CE2 -0.0045 0.0099 -0.0019 1127 PHE 74 HE2 -0.0025 0.0095 -0.0015 1128 PHE 74 C -0.0130 0.0097 -0.0060 1129 PHE 74 O -0.0153 0.0100 -0.0066 1130 HIS 75 N -0.0038 0.0083 -0.0060 1131 HIS 75 HN -0.0028 0.0100 -0.0071 1132 HIS 75 CA -0.0021 0.0056 -0.0072 1133 HIS 75 HA -0.0032 0.0042 -0.0060 1134 HIS 75 CB -0.0009 0.0029 -0.0080 1135 HIS 75 HB1 0.0002 0.0043 -0.0091 1136 HIS 75 HB2 -0.0026 0.0019 -0.0063 1137 HIS 75 CD2 0.0016 -0.0012 -0.0098 1138 HIS 75 HD2 0.0012 -0.0001 -0.0095 1139 HIS 75 CG 0.0008 -0.0001 -0.0092 1140 HIS 75 NE2 0.0033 -0.0042 -0.0109 1141 HIS 75 HE2 0.0043 -0.0055 -0.0116 1142 HIS 75 ND1 0.0019 -0.0025 -0.0098 1143 HIS 75 HD1 0.0016 -0.0024 -0.0096 1144 HIS 75 CE1 0.0033 -0.0049 -0.0109 1145 HIS 75 HE1 0.0044 -0.0071 -0.0116 1146 HIS 75 C 0.0001 0.0072 -0.0094 1147 HIS 75 O 0.0015 0.0092 -0.0110 1148 LEU 76 N 0.0017 -0.0019 -0.0129 1149 LEU 76 HN 0.0011 -0.0021 -0.0129 1150 LEU 76 CA 0.0026 -0.0009 -0.0131 1151 LEU 76 HA 0.0029 -0.0005 -0.0131 1152 LEU 76 CB 0.0021 0.0001 -0.0133 1153 LEU 76 HB1 0.0028 0.0009 -0.0134 1154 LEU 76 HB2 0.0020 -0.0003 -0.0132 1155 LEU 76 CG 0.0007 0.0006 -0.0135 1156 LEU 76 HG 0.0000 -0.0002 -0.0133 1157 LEU 76 CD1 0.0003 0.0015 -0.0137 1158 LEU 76 HD11 0.0010 0.0023 -0.0138 1159 LEU 76 HD12 -0.0007 0.0019 -0.0138 1160 LEU 76 HD13 0.0001 0.0010 -0.0135 1161 LEU 76 CD2 0.0008 0.0014 -0.0136 1162 LEU 76 HD21 0.0011 0.0007 -0.0135 1163 LEU 76 HD22 -0.0002 0.0017 -0.0137 1164 LEU 76 HD23 0.0015 0.0022 -0.0137 1165 LEU 76 C 0.0038 -0.0015 -0.0129 1166 LEU 76 O 0.0038 -0.0020 -0.0128 1167 GLU 77 N 0.0092 -0.0045 -0.0079 1168 GLU 77 HN 0.0095 -0.0051 -0.0077 1169 GLU 77 CA 0.0081 -0.0038 -0.0078 1170 GLU 77 HA 0.0080 -0.0031 -0.0082 1171 GLU 77 CB 0.0079 -0.0036 -0.0078 1172 GLU 77 HB1 0.0070 -0.0031 -0.0076 1173 GLU 77 HB2 0.0079 -0.0043 -0.0074 1174 GLU 77 CG 0.0086 -0.0029 -0.0086 1175 GLU 77 HG1 0.0094 -0.0035 -0.0087 1176 GLU 77 HG2 0.0088 -0.0024 -0.0090 1177 GLU 77 CD 0.0081 -0.0023 -0.0088 1178 GLU 77 OE1 0.0081 -0.0027 -0.0084 1179 GLU 77 OE2 0.0080 -0.0013 -0.0093 1180 GLU 77 C 0.0073 -0.0044 -0.0070 1181 GLU 77 O 0.0073 -0.0053 -0.0064 1182 HIS 78 N 0.0053 -0.0101 -0.0084 1183 HIS 78 HN 0.0045 -0.0092 -0.0101 1184 HIS 78 CA 0.0052 -0.0069 -0.0063 1185 HIS 78 HA 0.0058 -0.0081 -0.0053 1186 HIS 78 CB 0.0034 -0.0033 -0.0089 1187 HIS 78 HB1 0.0033 -0.0005 -0.0070 1188 HIS 78 HB2 0.0026 -0.0026 -0.0105 1189 HIS 78 CD2 0.0015 -0.0055 -0.0159 1190 HIS 78 HD2 0.0010 -0.0061 -0.0178 1191 HIS 78 CG 0.0026 -0.0043 -0.0118 1192 HIS 78 NE2 0.0011 -0.0057 -0.0174 1193 HIS 78 HE2 0.0003 -0.0065 -0.0202 1194 HIS 78 ND1 0.0028 -0.0038 -0.0108 1195 HIS 78 HD1 0.0035 -0.0029 -0.0081 1196 HIS 78 CE1 0.0019 -0.0047 -0.0143 1197 HIS 78 HE1 0.0018 -0.0046 -0.0143 1198 HIS 78 C 0.0060 -0.0052 -0.0026 1199 HIS 78 O 0.0056 -0.0041 -0.0028 1200 HIS 79 N 0.0104 -0.0047 0.0056 1201 HIS 79 HN 0.0108 -0.0081 0.0053 1202 HIS 79 CA 0.0085 -0.0017 0.0103 1203 HIS 79 HA 0.0084 0.0026 0.0096 1204 HIS 79 CB 0.0070 -0.0040 0.0150 1205 HIS 79 HB1 0.0056 -0.0020 0.0185 1206 HIS 79 HB2 0.0072 -0.0084 0.0154 1207 HIS 79 CD2 0.0074 -0.0070 0.0147 1208 HIS 79 HD2 0.0078 -0.0114 0.0145 1209 HIS 79 CG 0.0071 -0.0032 0.0146 1210 HIS 79 NE2 0.0070 -0.0041 0.0151 1211 HIS 79 HE2 0.0071 -0.0056 0.0153 1212 HIS 79 ND1 0.0065 0.0019 0.0152 1213 HIS 79 HD1 0.0061 0.0054 0.0154 1214 HIS 79 CE1 0.0065 0.0012 0.0155 1215 HIS 79 HE1 0.0061 0.0045 0.0158 1216 HIS 79 C 0.0079 -0.0020 0.0120 1217 HIS 79 O 0.0078 -0.0064 0.0132 1218 GLY 80 N 0.0077 -0.0572 0.0008 1219 GLY 80 HN -0.0034 -0.0762 -0.0063 1220 GLY 80 CA 0.0073 -0.0258 0.0148 1221 GLY 80 HA1 0.0342 -0.0167 0.0157 1222 GLY 80 HA2 -0.0068 -0.0293 0.0149 1223 GLY 80 C -0.0122 -0.0007 0.0282 1224 GLY 80 O -0.0424 -0.0068 0.0291 1225 GLY 81 N 0.0010 0.0191 0.0241 1226 GLY 81 HN 0.0091 0.0204 0.0353 1227 GLY 81 CA -0.0035 0.0197 0.0186 1228 GLY 81 HA1 0.0005 0.0274 0.0279 1229 GLY 81 HA2 -0.0135 0.0255 0.0086 1230 GLY 81 C 0.0003 0.0015 0.0137 1231 GLY 81 O -0.0043 -0.0004 0.0068 1232 LYS 82 N 0.0031 -0.0038 0.0095 1233 LYS 82 HN 0.0046 -0.0028 0.0120 1234 LYS 82 CA 0.0034 -0.0109 0.0087 1235 LYS 82 HA 0.0030 -0.0113 0.0080 1236 LYS 82 CB 0.0072 -0.0148 0.0142 1237 LYS 82 HB1 0.0073 -0.0203 0.0134 1238 LYS 82 HB2 0.0076 -0.0143 0.0149 1239 LYS 82 CG 0.0103 -0.0120 0.0197 1240 LYS 82 HG1 0.0100 -0.0064 0.0202 1241 LYS 82 HG2 0.0100 -0.0128 0.0191 1242 LYS 82 CD 0.0141 -0.0152 0.0253 1243 LYS 82 HD1 0.0145 -0.0208 0.0250 1244 LYS 82 HD2 0.0141 -0.0147 0.0255 1245 LYS 82 CE 0.0172 -0.0117 0.0309 1246 LYS 82 HE1 0.0198 -0.0141 0.0348 1247 LYS 82 HE2 0.0167 -0.0061 0.0312 1248 LYS 82 NZ 0.0174 -0.0122 0.0312 1249 LYS 82 HZ1 0.0176 -0.0172 0.0307 1250 LYS 82 HZ2 0.0150 -0.0096 0.0278 1251 LYS 82 HZ3 0.0196 -0.0101 0.0351 1252 LYS 82 C 0.0005 -0.0144 0.0033 1253 LYS 82 O -0.0005 -0.0130 0.0018 1254 VAL 83 N -0.0006 -0.0129 0.0001 1255 VAL 83 HN -0.0001 -0.0144 0.0010 1256 VAL 83 CA -0.0002 -0.0136 -0.0028 1257 VAL 83 HA -0.0007 -0.0122 -0.0030 1258 VAL 83 CB -0.0003 -0.0129 -0.0057 1259 VAL 83 HB -0.0010 -0.0106 -0.0056 1260 VAL 83 CG1 0.0003 -0.0150 -0.0058 1261 VAL 83 HG11 0.0002 -0.0143 -0.0079 1262 VAL 83 HG12 0.0001 -0.0147 -0.0036 1263 VAL 83 HG13 0.0010 -0.0174 -0.0061 1264 VAL 83 CG2 -0.0001 -0.0133 -0.0088 1265 VAL 83 HG21 -0.0002 -0.0125 -0.0109 1266 VAL 83 HG22 0.0007 -0.0157 -0.0091 1267 VAL 83 HG23 -0.0005 -0.0119 -0.0087 1268 VAL 83 C 0.0007 -0.0168 -0.0027 1269 VAL 83 O 0.0013 -0.0189 -0.0016 1270 SER 84 N 0.0068 -0.0102 -0.0038 1271 SER 84 HN 0.0065 -0.0088 -0.0044 1272 SER 84 CA 0.0075 -0.0109 -0.0041 1273 SER 84 HA 0.0078 -0.0125 -0.0035 1274 SER 84 CB 0.0063 -0.0100 -0.0034 1275 SER 84 HB1 0.0061 -0.0084 -0.0040 1276 SER 84 HB2 0.0053 -0.0103 -0.0021 1277 SER 84 OG 0.0069 -0.0109 -0.0035 1278 SER 84 HG1 0.0061 -0.0104 -0.0030 1279 SER 84 C 0.0089 -0.0106 -0.0059 1280 SER 84 O 0.0090 -0.0091 -0.0069 1281 ILE 85 N 0.0071 -0.0022 -0.0067 1282 ILE 85 HN 0.0072 -0.0019 -0.0069 1283 ILE 85 CA 0.0073 -0.0020 -0.0062 1284 ILE 85 HA 0.0072 -0.0024 -0.0060 1285 ILE 85 CB 0.0075 -0.0018 -0.0057 1286 ILE 85 HB 0.0077 -0.0014 -0.0059 1287 ILE 85 CG2 0.0077 -0.0016 -0.0051 1288 ILE 85 HG21 0.0079 -0.0014 -0.0047 1289 ILE 85 HG22 0.0079 -0.0012 -0.0052 1290 ILE 85 HG23 0.0076 -0.0020 -0.0049 1291 ILE 85 CG1 0.0074 -0.0022 -0.0054 1292 ILE 85 HG11 0.0075 -0.0020 -0.0050 1293 ILE 85 HG12 0.0073 -0.0023 -0.0059 1294 ILE 85 CD 0.0071 -0.0028 -0.0052 1295 ILE 85 HD1 0.0069 -0.0031 -0.0051 1296 ILE 85 HD2 0.0072 -0.0028 -0.0047 1297 ILE 85 HD3 0.0069 -0.0030 -0.0055 1298 ILE 85 C 0.0075 -0.0015 -0.0065 1299 ILE 85 O 0.0077 -0.0011 -0.0068 1300 LYS 86 N 0.0093 0.0106 -0.0038 1301 LYS 86 HN 0.0079 0.0098 -0.0035 1302 LYS 86 CA 0.0099 0.0096 -0.0047 1303 LYS 86 HA 0.0111 0.0109 -0.0047 1304 LYS 86 CB 0.0110 0.0076 -0.0062 1305 LYS 86 HB1 0.0124 0.0082 -0.0067 1306 LYS 86 HB2 0.0118 0.0071 -0.0069 1307 LYS 86 CG 0.0095 0.0055 -0.0064 1308 LYS 86 HG1 0.0082 0.0047 -0.0061 1309 LYS 86 HG2 0.0086 0.0059 -0.0058 1310 LYS 86 CD 0.0108 0.0037 -0.0080 1311 LYS 86 HD1 0.0120 0.0044 -0.0082 1312 LYS 86 HD2 0.0119 0.0034 -0.0087 1313 LYS 86 CE 0.0095 0.0014 -0.0083 1314 LYS 86 HE1 0.0084 0.0005 -0.0082 1315 LYS 86 HE2 0.0084 0.0018 -0.0076 1316 LYS 86 NZ 0.0110 -0.0000 -0.0098 1317 LYS 86 HZ1 0.0126 0.0005 -0.0104 1318 LYS 86 HZ2 0.0111 0.0002 -0.0098 1319 LYS 86 HZ3 0.0103 -0.0017 -0.0103 1320 LYS 86 C 0.0079 0.0090 -0.0039 1321 LYS 86 O 0.0060 0.0088 -0.0030 1322 GLY 87 N 0.0015 0.0182 0.0001 1323 GLY 87 HN 0.0031 0.0182 -0.0005 1324 GLY 87 CA -0.0017 0.0171 0.0014 1325 GLY 87 HA1 -0.0028 0.0188 0.0014 1326 GLY 87 HA2 -0.0032 0.0170 0.0019 1327 GLY 87 C -0.0016 0.0136 0.0020 1328 GLY 87 O 0.0009 0.0117 0.0015 1329 HIS 88 N -0.0229 0.0309 0.0152 1330 HIS 88 HN -0.0316 0.0390 0.0196 1331 HIS 88 CA -0.0232 0.0139 0.0130 1332 HIS 88 HA -0.0220 0.0043 0.0112 1333 HIS 88 CB -0.0399 0.0094 0.0187 1334 HIS 88 HB1 -0.0413 0.0179 0.0204 1335 HIS 88 HB2 -0.0502 0.0121 0.0229 1336 HIS 88 CD2 -0.0474 -0.0172 0.0179 1337 HIS 88 HD2 -0.0519 -0.0111 0.0204 1338 HIS 88 CG -0.0421 -0.0097 0.0170 1339 HIS 88 NE2 -0.0460 -0.0350 0.0150 1340 HIS 88 HE2 -0.0483 -0.0444 0.0146 1341 HIS 88 ND1 -0.0375 -0.0224 0.0135 1342 HIS 88 HD1 -0.0332 -0.0206 0.0121 1343 HIS 88 CE1 -0.0399 -0.0375 0.0123 1344 HIS 88 HE1 -0.0369 -0.0504 0.0095 1345 HIS 88 C -0.0082 0.0117 0.0071 1346 HIS 88 O -0.0009 0.0244 0.0060 1347 HIS 89 N -0.0201 0.0196 -0.0001 1348 HIS 89 HN -0.0384 0.0100 -0.0075 1349 HIS 89 CA 0.0063 0.0104 -0.0138 1350 HIS 89 HA 0.0002 -0.0055 -0.0299 1351 HIS 89 CB 0.0301 0.0138 -0.0139 1352 HIS 89 HB1 0.0482 0.0052 -0.0258 1353 HIS 89 HB2 0.0384 0.0298 0.0019 1354 HIS 89 CD2 0.0175 0.0172 -0.0084 1355 HIS 89 HD2 0.0233 0.0329 0.0075 1356 HIS 89 CG 0.0188 0.0069 -0.0195 1357 HIS 89 NE2 0.0074 0.0032 -0.0217 1358 HIS 89 HE2 0.0052 0.0054 -0.0190 1359 HIS 89 ND1 0.0097 -0.0131 -0.0394 1360 HIS 89 HD1 0.0083 -0.0242 -0.0509 1361 HIS 89 CE1 0.0030 -0.0148 -0.0401 1362 HIS 89 HE1 -0.0044 -0.0288 -0.0539 1363 HIS 89 C 0.0178 0.0165 -0.0091 1364 HIS 89 O 0.0411 0.0117 -0.0178 1365 HIS 90 N 0.0111 0.0132 0.0019 1366 HIS 90 HN 0.0002 0.0141 0.0105 1367 HIS 90 CA 0.0185 0.0130 -0.0037 1368 HIS 90 HA 0.0092 0.0113 0.0023 1369 HIS 90 CB 0.0251 -0.0026 -0.0169 1370 HIS 90 HB1 0.0323 -0.0009 -0.0212 1371 HIS 90 HB2 0.0330 -0.0037 -0.0233 1372 HIS 90 CD2 0.0012 -0.0271 -0.0126 1373 HIS 90 HD2 -0.0000 -0.0241 -0.0100 1374 HIS 90 CG 0.0120 -0.0187 -0.0160 1375 HIS 90 NE2 -0.0090 -0.0415 -0.0129 1376 HIS 90 HE2 -0.0180 -0.0499 -0.0107 1377 HIS 90 ND1 0.0086 -0.0284 -0.0188 1378 HIS 90 HD1 0.0153 -0.0269 -0.0228 1379 HIS 90 CE1 -0.0041 -0.0419 -0.0167 1380 HIS 90 HE1 -0.0093 -0.0519 -0.0182 1381 HIS 90 C 0.0299 0.0299 -0.0028 1382 HIS 90 O 0.0387 0.0306 -0.0090 1383 HIS 91 N 0.0177 0.0258 -0.0013 1384 HIS 91 HN 0.0207 0.0267 -0.0017 1385 HIS 91 CA 0.0185 0.0238 0.0016 1386 HIS 91 HA 0.0161 0.0242 0.0004 1387 HIS 91 CB 0.0241 0.0247 0.0020 1388 HIS 91 HB1 0.0247 0.0233 0.0040 1389 HIS 91 HB2 0.0268 0.0243 0.0033 1390 HIS 91 CD2 0.0295 0.0306 -0.0043 1391 HIS 91 HD2 0.0325 0.0305 -0.0034 1392 HIS 91 CG 0.0256 0.0281 -0.0022 1393 HIS 91 NE2 0.0286 0.0332 -0.0082 1394 HIS 91 HE2 0.0306 0.0355 -0.0107 1395 HIS 91 ND1 0.0225 0.0293 -0.0046 1396 HIS 91 HD1 0.0194 0.0280 -0.0038 1397 HIS 91 CE1 0.0244 0.0323 -0.0082 1398 HIS 91 HE1 0.0227 0.0340 -0.0109 1399 HIS 91 C 0.0173 0.0203 0.0060 1400 HIS 91 O 0.0177 0.0192 0.0076 1401 TYR 92 N 0.0150 0.0059 0.0018 1402 TYR 92 HN 0.0134 0.0069 0.0012 1403 TYR 92 CA 0.0153 0.0033 0.0008 1404 TYR 92 HA 0.0169 0.0024 0.0015 1405 TYR 92 CB 0.0134 0.0025 -0.0007 1406 TYR 92 HB1 0.0134 0.0006 -0.0016 1407 TYR 92 HB2 0.0118 0.0036 -0.0013 1408 TYR 92 CG 0.0138 0.0028 -0.0003 1409 TYR 92 CD1 0.0131 0.0050 0.0002 1410 TYR 92 HD1 0.0123 0.0066 0.0004 1411 TYR 92 CE1 0.0135 0.0052 0.0005 1412 TYR 92 HE1 0.0131 0.0070 0.0010 1413 TYR 92 CZ 0.0146 0.0031 0.0003 1414 TYR 92 OH 0.0151 0.0034 0.0008 1415 TYR 92 HH 0.0160 0.0018 0.0007 1416 TYR 92 CD2 0.0148 0.0007 -0.0006 1417 TYR 92 HD2 0.0153 -0.0011 -0.0010 1418 TYR 92 CE2 0.0152 0.0009 -0.0002 1419 TYR 92 HE2 0.0160 -0.0007 -0.0004 1420 TYR 92 C 0.0152 0.0023 0.0004 1421 TYR 92 O 0.0138 0.0034 -0.0001 1422 ILE 93 N 0.0082 0.0008 -0.0008 1423 ILE 93 HN 0.0086 0.0007 -0.0008 1424 ILE 93 CA 0.0079 0.0008 -0.0013 1425 ILE 93 HA 0.0075 0.0009 -0.0011 1426 ILE 93 CB 0.0083 0.0007 -0.0014 1427 ILE 93 HB 0.0087 0.0006 -0.0016 1428 ILE 93 CG2 0.0084 0.0008 -0.0009 1429 ILE 93 HG21 0.0087 0.0007 -0.0010 1430 ILE 93 HG22 0.0080 0.0009 -0.0007 1431 ILE 93 HG23 0.0087 0.0008 -0.0006 1432 ILE 93 CG1 0.0080 0.0007 -0.0019 1433 ILE 93 HG11 0.0076 0.0008 -0.0017 1434 ILE 93 HG12 0.0078 0.0007 -0.0023 1435 ILE 93 CD 0.0084 0.0006 -0.0022 1436 ILE 93 HD1 0.0088 0.0005 -0.0024 1437 ILE 93 HD2 0.0082 0.0006 -0.0025 1438 ILE 93 HD3 0.0086 0.0006 -0.0018 1439 ILE 93 C 0.0078 0.0008 -0.0018 1440 ILE 93 O 0.0082 0.0007 -0.0020 1441 SER 94 N 0.0032 -0.0082 -0.0034 1442 SER 94 HN 0.0027 -0.0073 -0.0025 1443 SER 94 CA 0.0006 -0.0091 -0.0056 1444 SER 94 HA 0.0014 -0.0100 -0.0063 1445 SER 94 CB -0.0026 -0.0071 -0.0046 1446 SER 94 HB1 -0.0038 -0.0064 -0.0042 1447 SER 94 HB2 -0.0019 -0.0057 -0.0026 1448 SER 94 OG -0.0050 -0.0077 -0.0063 1449 SER 94 HG1 -0.0060 -0.0087 -0.0079 1450 SER 94 C -0.0002 -0.0109 -0.0080 1451 SER 94 O -0.0007 -0.0104 -0.0077 1452 ALA 95 N -0.0095 -0.0098 -0.0112 1453 ALA 95 HN -0.0085 -0.0113 -0.0124 1454 ALA 95 CA -0.0099 -0.0079 -0.0119 1455 ALA 95 HA -0.0109 -0.0066 -0.0103 1456 ALA 95 CB -0.0093 -0.0095 -0.0123 1457 ALA 95 HB1 -0.0082 -0.0107 -0.0139 1458 ALA 95 HB2 -0.0096 -0.0081 -0.0128 1459 ALA 95 HB3 -0.0094 -0.0108 -0.0104 1460 ALA 95 C -0.0097 -0.0062 -0.0145 1461 ALA 95 O -0.0086 -0.0072 -0.0165 1462 ASP 96 N -0.0137 -0.0038 -0.0206 1463 ASP 96 HN -0.0139 -0.0025 -0.0181 1464 ASP 96 CA -0.0125 -0.0012 -0.0233 1465 ASP 96 HA -0.0121 -0.0020 -0.0263 1466 ASP 96 CB -0.0117 0.0031 -0.0222 1467 ASP 96 HB1 -0.0108 0.0052 -0.0241 1468 ASP 96 HB2 -0.0121 0.0039 -0.0191 1469 ASP 96 CG -0.0114 0.0037 -0.0227 1470 ASP 96 OD1 -0.0109 0.0070 -0.0213 1471 ASP 96 OD2 -0.0117 0.0011 -0.0244 1472 ASP 96 C -0.0127 -0.0018 -0.0229 1473 ASP 96 O -0.0137 -0.0037 -0.0203 1474 HIS 97 N -0.0141 -0.0041 -0.0227 1475 HIS 97 HN -0.0078 -0.0061 -0.0254 1476 HIS 97 CA -0.0139 0.0044 -0.0184 1477 HIS 97 HA -0.0180 0.0034 -0.0178 1478 HIS 97 CB -0.0035 0.0086 -0.0191 1479 HIS 97 HB1 -0.0036 0.0149 -0.0158 1480 HIS 97 HB2 0.0009 0.0099 -0.0196 1481 HIS 97 CD2 0.0012 0.0015 -0.0240 1482 HIS 97 HD2 -0.0031 0.0045 -0.0213 1483 HIS 97 CG 0.0015 0.0026 -0.0235 1484 HIS 97 NE2 0.0074 -0.0046 -0.0289 1485 HIS 97 HE2 0.0077 -0.0079 -0.0306 1486 HIS 97 ND1 0.0080 -0.0025 -0.0279 1487 HIS 97 HD1 0.0098 -0.0029 -0.0286 1488 HIS 97 CE1 0.0113 -0.0068 -0.0310 1489 HIS 97 HE1 0.0164 -0.0116 -0.0350 1490 HIS 97 C -0.0185 0.0113 -0.0135 1491 HIS 97 O -0.0216 0.0175 -0.0095 1492 HIS 98 N -0.0175 0.0094 -0.0235 1493 HIS 98 HN -0.0155 0.0138 -0.0307 1494 HIS 98 CA -0.0084 0.0081 -0.0155 1495 HIS 98 HA -0.0114 0.0042 -0.0100 1496 HIS 98 CB -0.0034 0.0067 -0.0098 1497 HIS 98 HB1 -0.0003 0.0105 -0.0154 1498 HIS 98 HB2 -0.0100 0.0027 -0.0063 1499 HIS 98 CD2 0.0166 0.0076 0.0004 1500 HIS 98 HD2 0.0208 0.0113 -0.0040 1501 HIS 98 CG 0.0061 0.0052 -0.0013 1502 HIS 98 NE2 0.0215 0.0045 0.0093 1503 HIS 98 HE2 0.0293 0.0051 0.0128 1504 HIS 98 ND1 0.0044 0.0007 0.0062 1505 HIS 98 HD1 -0.0026 -0.0019 0.0068 1506 HIS 98 CE1 0.0138 0.0004 0.0125 1507 HIS 98 HE1 0.0151 -0.0029 0.0194 1508 HIS 98 C 0.0007 0.0133 -0.0199 1509 HIS 98 O 0.0017 0.0184 -0.0290 1510 GLY 99 N -0.0062 0.0053 -0.0148 1511 GLY 99 HN -0.0064 0.0044 -0.0132 1512 GLY 99 CA -0.0048 0.0067 -0.0142 1513 GLY 99 HA1 -0.0039 0.0083 -0.0156 1514 GLY 99 HA2 -0.0039 0.0068 -0.0121 1515 GLY 99 C -0.0057 0.0058 -0.0145 1516 GLY 99 O -0.0074 0.0039 -0.0147 1517 HIS 100 N -0.0045 0.0111 -0.0149 1518 HIS 100 HN -0.0061 0.0132 -0.0146 1519 HIS 100 CA -0.0032 0.0098 -0.0116 1520 HIS 100 HA -0.0020 0.0083 -0.0109 1521 HIS 100 CB -0.0048 0.0121 -0.0084 1522 HIS 100 HB1 -0.0038 0.0111 -0.0059 1523 HIS 100 HB2 -0.0060 0.0136 -0.0092 1524 HIS 100 CD2 -0.0052 0.0127 -0.0069 1525 HIS 100 HD2 -0.0035 0.0106 -0.0069 1526 HIS 100 CG -0.0060 0.0137 -0.0076 1527 HIS 100 NE2 -0.0070 0.0152 -0.0060 1528 HIS 100 HE2 -0.0070 0.0152 -0.0052 1529 HIS 100 ND1 -0.0082 0.0166 -0.0073 1530 HIS 100 HD1 -0.0092 0.0179 -0.0076 1531 HIS 100 CE1 -0.0088 0.0174 -0.0063 1532 HIS 100 HE1 -0.0104 0.0196 -0.0056 1533 HIS 100 C -0.0019 0.0081 -0.0116 1534 HIS 100 O -0.0028 0.0091 -0.0127 1535 VAL 101 N -0.0020 0.0047 -0.0060 1536 VAL 101 HN -0.0015 0.0041 -0.0049 1537 VAL 101 CA -0.0018 0.0038 -0.0062 1538 VAL 101 HA -0.0023 0.0035 -0.0079 1539 VAL 101 CB -0.0010 0.0016 -0.0053 1540 VAL 101 HB -0.0006 0.0018 -0.0036 1541 VAL 101 CG1 -0.0008 0.0005 -0.0052 1542 VAL 101 HG11 -0.0007 0.0015 -0.0043 1543 VAL 101 HG12 -0.0012 0.0001 -0.0068 1544 VAL 101 HG13 -0.0002 -0.0011 -0.0045 1545 VAL 101 CG2 -0.0011 0.0001 -0.0065 1546 VAL 101 HG21 -0.0015 -0.0002 -0.0082 1547 VAL 101 HG22 -0.0012 0.0007 -0.0065 1548 VAL 101 HG23 -0.0005 -0.0015 -0.0058 1549 VAL 101 C -0.0019 0.0053 -0.0053 1550 VAL 101 O -0.0017 0.0065 -0.0037 1551 SER 102 N 0.0030 0.0015 -0.0033 1552 SER 102 HN 0.0032 0.0012 -0.0037 1553 SER 102 CA 0.0026 0.0022 -0.0020 1554 SER 102 HA 0.0027 0.0024 -0.0016 1555 SER 102 CB 0.0010 0.0026 -0.0020 1556 SER 102 HB1 0.0004 0.0024 -0.0027 1557 SER 102 HB2 0.0007 0.0032 -0.0011 1558 SER 102 OG 0.0007 0.0025 -0.0023 1559 SER 102 HG1 0.0005 0.0021 -0.0033 1560 SER 102 C 0.0035 0.0025 -0.0011 1561 SER 102 O 0.0048 0.0021 -0.0012 1562 THR 103 N 0.0071 -0.0009 -0.0010 1563 THR 103 HN 0.0052 -0.0018 -0.0004 1564 THR 103 CA 0.0077 0.0026 0.0004 1565 THR 103 HA 0.0083 0.0029 0.0002 1566 THR 103 CB 0.0106 0.0045 -0.0001 1567 THR 103 HB 0.0128 0.0035 -0.0018 1568 THR 103 OG1 0.0114 0.0079 0.0011 1569 THR 103 HG1 0.0135 0.0088 0.0005 1570 THR 103 CG2 0.0099 0.0044 0.0002 1571 THR 103 HG21 0.0121 0.0058 -0.0003 1572 THR 103 HG22 0.0093 0.0019 -0.0008 1573 THR 103 HG23 0.0079 0.0057 0.0018 1574 THR 103 C 0.0046 0.0038 0.0026 1575 THR 103 O 0.0027 0.0025 0.0029 1576 LYS 104 N 0.0045 0.0034 0.0016 1577 LYS 104 HN 0.0081 0.0033 0.0013 1578 LYS 104 CA -0.0006 0.0065 0.0042 1579 LYS 104 HA -0.0020 0.0083 0.0057 1580 LYS 104 CB -0.0064 0.0036 0.0022 1581 LYS 104 HB1 -0.0077 0.0008 0.0001 1582 LYS 104 HB2 -0.0104 0.0060 0.0043 1583 LYS 104 CG -0.0055 0.0009 0.0001 1584 LYS 104 HG1 -0.0052 0.0036 0.0022 1585 LYS 104 HG2 -0.0011 -0.0011 -0.0017 1586 LYS 104 CD -0.0109 -0.0029 -0.0026 1587 LYS 104 HD1 -0.0109 -0.0059 -0.0049 1588 LYS 104 HD2 -0.0154 -0.0009 -0.0008 1589 LYS 104 CE -0.0106 -0.0051 -0.0043 1590 LYS 104 HE1 -0.0105 -0.0020 -0.0019 1591 LYS 104 HE2 -0.0063 -0.0072 -0.0061 1592 LYS 104 NZ -0.0160 -0.0083 -0.0066 1593 LYS 104 HZ1 -0.0165 -0.0082 -0.0064 1594 LYS 104 HZ2 -0.0201 -0.0074 -0.0056 1595 LYS 104 HZ3 -0.0154 -0.0121 -0.0095 1596 LYS 104 C 0.0014 0.0107 0.0074 1597 LYS 104 O 0.0063 0.0105 0.0070 1598 GLU 105 N -0.0278 0.0191 -0.0047 1599 GLU 105 HN -0.0507 0.0200 -0.0028 1600 GLU 105 CA -0.0086 0.0227 0.0203 1601 GLU 105 HA 0.0112 0.0228 0.0245 1602 GLU 105 CB -0.0273 0.0283 0.0512 1603 GLU 105 HB1 -0.0480 0.0283 0.0476 1604 GLU 105 HB2 -0.0368 0.0296 0.0574 1605 GLU 105 CG -0.0071 0.0322 0.0788 1606 GLU 105 HG1 0.0139 0.0322 0.0821 1607 GLU 105 HG2 0.0011 0.0314 0.0749 1608 GLU 105 CD -0.0256 0.0378 0.1094 1609 GLU 105 OE1 -0.0231 0.0406 0.1268 1610 GLU 105 OE2 -0.0423 0.0392 0.1154 1611 GLU 105 C 0.0043 0.0206 0.0101 1612 GLU 105 O -0.0128 0.0190 -0.0029 1613 HIS 106 N 0.0079 0.0093 0.0106 1614 HIS 106 HN 0.0023 0.0032 0.0163 1615 HIS 106 CA 0.0135 0.0038 0.0023 1616 HIS 106 HA 0.0112 -0.0071 0.0029 1617 HIS 106 CB 0.0233 0.0054 -0.0098 1618 HIS 106 HB1 0.0268 -0.0001 -0.0153 1619 HIS 106 HB2 0.0264 0.0162 -0.0113 1620 HIS 106 CD2 0.0282 0.0051 -0.0159 1621 HIS 106 HD2 0.0308 0.0158 -0.0170 1622 HIS 106 CG 0.0247 -0.0008 -0.0128 1623 HIS 106 NE2 0.0274 -0.0051 -0.0171 1624 HIS 106 HE2 0.0278 -0.0036 -0.0174 1625 HIS 106 ND1 0.0220 -0.0147 -0.0123 1626 HIS 106 HD1 0.0193 -0.0216 -0.0104 1627 HIS 106 CE1 0.0236 -0.0168 -0.0148 1628 HIS 106 HE1 0.0219 -0.0266 -0.0148 1629 HIS 106 C 0.0124 0.0077 0.0045 1630 HIS 106 O 0.0115 0.0193 0.0082 1631 HIS 107 N 0.0045 0.0013 0.0028 1632 HIS 107 HN 0.0034 0.0048 0.0025 1633 HIS 107 CA 0.0041 -0.0030 0.0034 1634 HIS 107 HA 0.0078 -0.0050 0.0031 1635 HIS 107 CB 0.0031 -0.0008 0.0033 1636 HIS 107 HB1 -0.0003 0.0019 0.0035 1637 HIS 107 HB2 0.0065 0.0014 0.0024 1638 HIS 107 CD2 -0.0027 -0.0065 0.0051 1639 HIS 107 HD2 -0.0066 -0.0051 0.0056 1640 HIS 107 CG 0.0020 -0.0050 0.0041 1641 HIS 107 NE2 -0.0016 -0.0106 0.0055 1642 HIS 107 HE2 -0.0042 -0.0129 0.0062 1643 HIS 107 ND1 0.0059 -0.0080 0.0038 1644 HIS 107 HD1 0.0097 -0.0077 0.0031 1645 HIS 107 CE1 0.0036 -0.0113 0.0047 1646 HIS 107 HE1 0.0056 -0.0144 0.0048 1647 HIS 107 C 0.0001 -0.0070 0.0047 1648 HIS 107 O -0.0041 -0.0056 0.0052 1649 ASP 108 N 0.0002 -0.0105 0.0001 1650 ASP 108 HN 0.0040 -0.0117 -0.0002 1651 ASP 108 CA -0.0038 -0.0145 -0.0004 1652 ASP 108 HA -0.0076 -0.0133 -0.0001 1653 ASP 108 CB -0.0046 -0.0150 -0.0004 1654 ASP 108 HB1 -0.0010 -0.0168 -0.0009 1655 ASP 108 HB2 -0.0049 -0.0109 0.0002 1656 ASP 108 CG -0.0096 -0.0179 -0.0007 1657 ASP 108 OD1 -0.0123 -0.0205 -0.0010 1658 ASP 108 OD2 -0.0105 -0.0178 -0.0007 1659 ASP 108 C -0.0020 -0.0197 -0.0013 1660 ASP 108 O 0.0026 -0.0205 -0.0016 1661 HIS 109 N -0.0110 -0.0269 0.0139 1662 HIS 109 HN -0.0159 -0.0289 0.0183 1663 HIS 109 CA -0.0088 -0.0305 0.0087 1664 HIS 109 HA -0.0039 -0.0260 0.0061 1665 HIS 109 CB -0.0131 -0.0320 0.0126 1666 HIS 109 HB1 -0.0123 -0.0363 0.0085 1667 HIS 109 HB2 -0.0183 -0.0348 0.0168 1668 HIS 109 CD2 -0.0145 -0.0198 0.0233 1669 HIS 109 HD2 -0.0196 -0.0213 0.0282 1670 HIS 109 CG -0.0111 -0.0240 0.0161 1671 HIS 109 NE2 -0.0105 -0.0127 0.0237 1672 HIS 109 HE2 -0.0118 -0.0085 0.0283 1673 HIS 109 ND1 -0.0048 -0.0195 0.0120 1674 HIS 109 HD1 -0.0011 -0.0209 0.0065 1675 HIS 109 CE1 -0.0048 -0.0127 0.0169 1676 HIS 109 HE1 -0.0004 -0.0079 0.0153 1677 HIS 109 C -0.0081 -0.0381 0.0023 1678 HIS 109 O -0.0043 -0.0399 -0.0037 1679 ASP 110 N -0.0082 -0.0237 -0.0098 1680 ASP 110 HN -0.0094 -0.0227 -0.0097 1681 ASP 110 CA -0.0082 -0.0232 -0.0092 1682 ASP 110 HA -0.0084 -0.0242 -0.0104 1683 ASP 110 CB -0.0100 -0.0210 -0.0085 1684 ASP 110 HB1 -0.0098 -0.0205 -0.0079 1685 ASP 110 HB2 -0.0099 -0.0200 -0.0073 1686 ASP 110 CG -0.0122 -0.0206 -0.0103 1687 ASP 110 OD1 -0.0125 -0.0220 -0.0121 1688 ASP 110 OD2 -0.0136 -0.0188 -0.0097 1689 ASP 110 C -0.0063 -0.0232 -0.0073 1690 ASP 110 O -0.0057 -0.0234 -0.0069 1691 THR 111 N 0.0005 -0.0186 -0.0041 1692 THR 111 HN -0.0016 -0.0173 -0.0041 1693 THR 111 CA 0.0044 -0.0172 -0.0035 1694 THR 111 HA 0.0064 -0.0184 -0.0035 1695 THR 111 CB 0.0046 -0.0128 -0.0029 1696 THR 111 HB 0.0078 -0.0120 -0.0024 1697 THR 111 OG1 0.0028 -0.0109 -0.0028 1698 THR 111 HG1 0.0043 -0.0115 -0.0027 1699 THR 111 CG2 0.0028 -0.0112 -0.0028 1700 THR 111 HG21 -0.0003 -0.0119 -0.0032 1701 THR 111 HG22 0.0031 -0.0080 -0.0024 1702 THR 111 HG23 0.0043 -0.0124 -0.0028 1703 THR 111 C 0.0056 -0.0186 -0.0036 1704 THR 111 O 0.0085 -0.0174 -0.0031 1705 THR 112 N 0.0007 -0.0266 0.0018 1706 THR 112 HN -0.0001 -0.0275 0.0021 1707 THR 112 CA 0.0020 -0.0252 0.0015 1708 THR 112 HA 0.0029 -0.0245 0.0010 1709 THR 112 CB 0.0022 -0.0243 0.0033 1710 THR 112 HB 0.0013 -0.0250 0.0037 1711 THR 112 OG1 0.0020 -0.0237 0.0049 1712 THR 112 HG1 0.0010 -0.0247 0.0053 1713 THR 112 CG2 0.0036 -0.0228 0.0029 1714 THR 112 HG21 0.0044 -0.0221 0.0024 1715 THR 112 HG22 0.0037 -0.0221 0.0043 1716 THR 112 HG23 0.0038 -0.0231 0.0018 1717 THR 112 C 0.0022 -0.0258 -0.0000 1718 THR 112 O 0.0012 -0.0269 0.0000 1719 PHE 113 N -0.0042 -0.0176 -0.0026 1720 PHE 113 HN -0.0040 -0.0174 -0.0026 1721 PHE 113 CA -0.0041 -0.0180 -0.0028 1722 PHE 113 HA -0.0043 -0.0183 -0.0028 1723 PHE 113 CB -0.0037 -0.0182 -0.0030 1724 PHE 113 HB1 -0.0036 -0.0185 -0.0031 1725 PHE 113 HB2 -0.0034 -0.0179 -0.0030 1726 PHE 113 CG -0.0038 -0.0181 -0.0029 1727 PHE 113 CD1 -0.0035 -0.0178 -0.0030 1728 PHE 113 HD1 -0.0032 -0.0177 -0.0030 1729 PHE 113 CE1 -0.0036 -0.0178 -0.0029 1730 PHE 113 HE1 -0.0033 -0.0175 -0.0029 1731 PHE 113 CZ -0.0039 -0.0180 -0.0028 1732 PHE 113 HZ -0.0040 -0.0179 -0.0028 1733 PHE 113 CD2 -0.0041 -0.0183 -0.0028 1734 PHE 113 HD2 -0.0044 -0.0185 -0.0028 1735 PHE 113 CE2 -0.0042 -0.0182 -0.0028 1736 PHE 113 HE2 -0.0045 -0.0184 -0.0027 1737 PHE 113 C -0.0039 -0.0180 -0.0028 1738 PHE 113 O -0.0039 -0.0177 -0.0028 1739 GLU 114 N -0.0053 -0.0095 0.0053 1740 GLU 114 HN -0.0053 -0.0101 0.0052 1741 GLU 114 CA -0.0055 -0.0044 0.0052 1742 GLU 114 HA -0.0064 -0.0043 0.0043 1743 GLU 114 CB -0.0019 -0.0016 0.0089 1744 GLU 114 HB1 -0.0023 0.0024 0.0087 1745 GLU 114 HB2 -0.0012 -0.0014 0.0096 1746 GLU 114 CG 0.0013 -0.0042 0.0120 1747 GLU 114 HG1 0.0020 -0.0080 0.0126 1748 GLU 114 HG2 0.0005 -0.0049 0.0112 1749 GLU 114 CD 0.0047 -0.0010 0.0155 1750 GLU 114 OE1 0.0072 -0.0024 0.0180 1751 GLU 114 OE2 0.0048 0.0027 0.0157 1752 GLU 114 C -0.0084 -0.0016 0.0024 1753 GLU 114 O -0.0095 -0.0030 0.0013 1754 GLU 115 N -0.0046 -0.0002 0.0048 1755 GLU 115 HN -0.0043 -0.0009 0.0048 1756 GLU 115 CA -0.0051 0.0004 0.0050 1757 GLU 115 HA -0.0058 0.0004 0.0054 1758 GLU 115 CB -0.0051 -0.0002 0.0051 1759 GLU 115 HB1 -0.0055 0.0003 0.0052 1760 GLU 115 HB2 -0.0044 -0.0004 0.0048 1761 GLU 115 CG -0.0056 -0.0012 0.0057 1762 GLU 115 HG1 -0.0053 -0.0017 0.0056 1763 GLU 115 HG2 -0.0063 -0.0009 0.0060 1764 GLU 115 CD -0.0055 -0.0017 0.0058 1765 GLU 115 OE1 -0.0058 -0.0012 0.0058 1766 GLU 115 OE2 -0.0053 -0.0027 0.0059 1767 GLU 115 C -0.0049 0.0015 0.0046 1768 GLU 115 O -0.0042 0.0017 0.0041 1769 ILE 116 N -0.0034 0.0029 0.0053 1770 ILE 116 HN -0.0033 0.0029 0.0063 1771 ILE 116 CA -0.0037 0.0030 0.0041 1772 ILE 116 HA -0.0040 0.0031 0.0030 1773 ILE 116 CB -0.0046 0.0041 0.0045 1774 ILE 116 HB -0.0044 0.0040 0.0057 1775 ILE 116 CG2 -0.0056 0.0052 0.0044 1776 ILE 116 HG21 -0.0054 0.0051 0.0052 1777 ILE 116 HG22 -0.0062 0.0060 0.0049 1778 ILE 116 HG23 -0.0058 0.0053 0.0032 1779 ILE 116 CG1 -0.0048 0.0041 0.0034 1780 ILE 116 HG11 -0.0050 0.0042 0.0022 1781 ILE 116 HG12 -0.0041 0.0033 0.0034 1782 ILE 116 CD -0.0057 0.0052 0.0038 1783 ILE 116 HD1 -0.0055 0.0052 0.0050 1784 ILE 116 HD2 -0.0058 0.0052 0.0030 1785 ILE 116 HD3 -0.0064 0.0060 0.0038 1786 ILE 116 C -0.0028 0.0019 0.0039 1787 ILE 116 O -0.0022 0.0015 0.0051 1788 ILE 117 N -0.0001 0.0072 0.0068 1789 ILE 117 HN 0.0004 0.0066 0.0080 1790 ILE 117 CA -0.0001 0.0095 0.0064 1791 ILE 117 HA -0.0004 0.0101 0.0055 1792 ILE 117 CB 0.0007 0.0108 0.0083 1793 ILE 117 HB 0.0010 0.0100 0.0094 1794 ILE 117 CG2 0.0006 0.0132 0.0079 1795 ILE 117 HG21 0.0012 0.0141 0.0093 1796 ILE 117 HG22 0.0004 0.0132 0.0073 1797 ILE 117 HG23 0.0003 0.0140 0.0068 1798 ILE 117 CG1 0.0011 0.0109 0.0095 1799 ILE 117 HG11 0.0007 0.0108 0.0083 1800 ILE 117 HG12 0.0015 0.0125 0.0103 1801 ILE 117 CD 0.0016 0.0091 0.0111 1802 ILE 117 HD1 0.0013 0.0074 0.0104 1803 ILE 117 HD2 0.0020 0.0091 0.0123 1804 ILE 117 HD3 0.0019 0.0093 0.0119 1805 ILE 117 C -0.0006 0.0098 0.0050 1806 ILE 117 O -0.0005 0.0088 0.0053 1807 ILE 118 N 0.0145 0.0048 0.0010 1808 ILE 118 HN 0.0159 0.0025 0.0026 1809 ILE 118 CA 0.0147 0.0185 -0.0096 1810 ILE 118 HA 0.0085 0.0100 -0.0019 1811 ILE 118 CB 0.0062 0.0059 0.0017 1812 ILE 118 HB 0.0081 0.0042 0.0027 1813 ILE 118 CG2 0.0017 0.0093 -0.0001 1814 ILE 118 HG21 -0.0015 0.0077 0.0018 1815 ILE 118 HG22 0.0033 0.0115 -0.0021 1816 ILE 118 HG23 -0.0002 0.0112 -0.0012 1817 ILE 118 CG1 0.0038 0.0023 0.0049 1818 ILE 118 HG11 0.0008 0.0009 0.0066 1819 ILE 118 HG12 0.0071 -0.0004 0.0064 1820 ILE 118 CD 0.0013 0.0038 0.0043 1821 ILE 118 HD1 -0.0002 0.0010 0.0067 1822 ILE 118 HD2 -0.0022 0.0063 0.0029 1823 ILE 118 HD3 0.0043 0.0051 0.0027 1824 ILE 118 C 0.0132 0.0110 -0.0035 1825 ILE 118 OT1 0.0163 0.0095 -0.0030 1826 ILE 118 OT2 0.0176 0.0083 -0.0022