1 ASN 3 N 0.0127 0.0186 -0.0073 2 ASN 3 HN 0.0114 0.0189 -0.0061 3 ASN 3 CA 0.0128 0.0163 -0.0082 4 ASN 3 HA 0.0140 0.0159 -0.0093 5 ASN 3 CB 0.0111 0.0145 -0.0073 6 ASN 3 HB1 0.0113 0.0128 -0.0079 7 ASN 3 HB2 0.0100 0.0150 -0.0061 8 ASN 3 CG 0.0109 0.0144 -0.0071 9 ASN 3 OD1 0.0116 0.0132 -0.0081 10 ASN 3 ND2 0.0097 0.0156 -0.0057 11 ASN 3 HD21 0.0095 0.0155 -0.0056 12 ASN 3 HD22 0.0093 0.0168 -0.0050 13 ASN 3 C 0.0133 0.0162 -0.0086 14 ASN 3 O 0.0133 0.0178 -0.0081 15 ARG 4 N 0.0094 0.0153 -0.0017 16 ARG 4 HN 0.0091 0.0191 0.0051 17 ARG 4 CA 0.0136 0.0136 -0.0057 18 ARG 4 HA 0.0121 0.0094 -0.0128 19 ARG 4 CB 0.0086 0.0158 -0.0007 20 ARG 4 HB1 0.0110 0.0139 -0.0045 21 ARG 4 HB2 0.0115 0.0201 0.0064 22 ARG 4 CG -0.0034 0.0151 0.0005 23 ARG 4 HG1 -0.0058 0.0168 0.0040 24 ARG 4 HG2 -0.0059 0.0174 0.0052 25 ARG 4 CD -0.0089 0.0094 -0.0084 26 ARG 4 HD1 -0.0069 0.0077 -0.0118 27 ARG 4 HD2 -0.0067 0.0070 -0.0132 28 ARG 4 NE -0.0203 0.0095 -0.0058 29 ARG 4 HE -0.0224 0.0126 0.0001 30 ARG 4 CZ -0.0278 0.0060 -0.0105 31 ARG 4 NH1 -0.0259 0.0019 -0.0182 32 ARG 4 HH11 -0.0186 0.0018 -0.0199 33 ARG 4 HH12 -0.0315 -0.0003 -0.0209 34 ARG 4 NH2 -0.0375 0.0066 -0.0073 35 ARG 4 HH21 -0.0432 0.0040 -0.0107 36 ARG 4 HH22 -0.0390 0.0098 -0.0013 37 ARG 4 C 0.0254 0.0154 -0.0049 38 ARG 4 O 0.0304 0.0133 -0.0098 39 ALA 5 N 0.0088 0.0086 -0.0035 40 ALA 5 HN 0.0081 0.0083 -0.0031 41 ALA 5 CA 0.0084 0.0075 -0.0031 42 ALA 5 HA 0.0093 0.0077 -0.0035 43 ALA 5 CB 0.0084 0.0053 -0.0026 44 ALA 5 HB1 0.0080 0.0044 -0.0022 45 ALA 5 HB2 0.0098 0.0047 -0.0031 46 ALA 5 HB3 0.0075 0.0050 -0.0021 47 ALA 5 C 0.0065 0.0082 -0.0024 48 ALA 5 O 0.0053 0.0089 -0.0020 49 PHE 6 N 0.0056 0.0035 -0.0021 50 PHE 6 HN 0.0063 0.0028 -0.0025 51 PHE 6 CA 0.0044 0.0043 -0.0013 52 PHE 6 HA 0.0036 0.0049 -0.0009 53 PHE 6 CB 0.0047 0.0056 -0.0019 54 PHE 6 HB1 0.0039 0.0060 -0.0013 55 PHE 6 HB2 0.0057 0.0052 -0.0026 56 PHE 6 CG 0.0049 0.0072 -0.0024 57 PHE 6 CD1 0.0061 0.0075 -0.0034 58 PHE 6 HD1 0.0070 0.0065 -0.0039 59 PHE 6 CE1 0.0062 0.0089 -0.0038 60 PHE 6 HE1 0.0071 0.0090 -0.0046 61 PHE 6 CZ 0.0050 0.0102 -0.0032 62 PHE 6 HZ 0.0051 0.0112 -0.0035 63 PHE 6 CD2 0.0037 0.0086 -0.0018 64 PHE 6 HD2 0.0028 0.0084 -0.0011 65 PHE 6 CE2 0.0038 0.0100 -0.0022 66 PHE 6 HE2 0.0029 0.0110 -0.0018 67 PHE 6 C 0.0036 0.0030 -0.0004 68 PHE 6 O 0.0042 0.0016 -0.0006 69 LYS 7 N 0.0019 0.0003 -0.0031 70 LYS 7 HN 0.0003 0.0021 -0.0034 71 LYS 7 CA 0.0006 -0.0013 -0.0015 72 LYS 7 HA 0.0025 -0.0030 -0.0014 73 LYS 7 CB -0.0020 -0.0031 0.0007 74 LYS 7 HB1 -0.0008 -0.0050 0.0013 75 LYS 7 HB2 -0.0029 -0.0043 0.0019 76 LYS 7 CG -0.0050 -0.0011 0.0009 77 LYS 7 HG1 -0.0058 0.0011 0.0000 78 LYS 7 HG2 -0.0042 -0.0005 0.0002 79 LYS 7 CD -0.0079 -0.0027 0.0032 80 LYS 7 HD1 -0.0073 -0.0047 0.0041 81 LYS 7 HD2 -0.0082 -0.0037 0.0040 82 LYS 7 CE -0.0112 -0.0005 0.0035 83 LYS 7 HE1 -0.0132 -0.0018 0.0052 84 LYS 7 HE2 -0.0116 0.0016 0.0025 85 LYS 7 NZ -0.0113 0.0005 0.0029 86 LYS 7 HZ1 -0.0118 -0.0012 0.0042 87 LYS 7 HZ2 -0.0091 0.0011 0.0016 88 LYS 7 HZ3 -0.0132 0.0025 0.0027 89 LYS 7 C -0.0009 0.0007 -0.0020 90 LYS 7 O -0.0019 0.0036 -0.0032 91 SER 8 N 0.0033 -0.0050 -0.0023 92 SER 8 HN 0.0035 -0.0048 -0.0018 93 SER 8 CA 0.0034 -0.0045 -0.0033 94 SER 8 HA 0.0030 -0.0049 -0.0038 95 SER 8 CB 0.0041 -0.0036 -0.0031 96 SER 8 HB1 0.0040 -0.0038 -0.0027 97 SER 8 HB2 0.0041 -0.0033 -0.0039 98 SER 8 OG 0.0046 -0.0031 -0.0025 99 SER 8 HG1 0.0045 -0.0034 -0.0018 100 SER 8 C 0.0035 -0.0043 -0.0038 101 SER 8 O 0.0035 -0.0044 -0.0033 102 HIS 9 N 0.0033 -0.0053 -0.0138 103 HIS 9 HN 0.0030 -0.0061 -0.0159 104 HIS 9 CA 0.0055 -0.0046 -0.0136 105 HIS 9 HA 0.0057 -0.0053 -0.0159 106 HIS 9 CB 0.0087 -0.0033 -0.0129 107 HIS 9 HB1 0.0103 -0.0028 -0.0129 108 HIS 9 HB2 0.0085 -0.0026 -0.0107 109 HIS 9 CD2 0.0105 -0.0037 -0.0154 110 HIS 9 HD2 0.0101 -0.0032 -0.0136 111 HIS 9 CG 0.0100 -0.0039 -0.0153 112 HIS 9 NE2 0.0116 -0.0045 -0.0184 113 HIS 9 HE2 0.0120 -0.0048 -0.0193 114 HIS 9 ND1 0.0108 -0.0047 -0.0182 115 HIS 9 HD1 0.0106 -0.0050 -0.0188 116 HIS 9 CE1 0.0117 -0.0051 -0.0199 117 HIS 9 HE1 0.0124 -0.0058 -0.0224 118 HIS 9 C 0.0042 -0.0042 -0.0117 119 HIS 9 O 0.0021 -0.0051 -0.0124 120 HIS 10 N 0.0086 0.0025 -0.0112 121 HIS 10 HN 0.0139 -0.0035 -0.0130 122 HIS 10 CA 0.0030 0.0000 -0.0029 123 HIS 10 HA -0.0033 0.0064 -0.0003 124 HIS 10 CB 0.0028 -0.0101 0.0050 125 HIS 10 HB1 -0.0018 -0.0115 0.0114 126 HIS 10 HB2 0.0091 -0.0169 0.0026 127 HIS 10 CD2 0.0046 -0.0158 0.0071 128 HIS 10 HD2 0.0112 -0.0218 0.0039 129 HIS 10 CG 0.0002 -0.0098 0.0077 130 HIS 10 NE2 -0.0011 -0.0135 0.0120 131 HIS 10 HE2 -0.0000 -0.0168 0.0132 132 HIS 10 ND1 -0.0081 -0.0037 0.0128 133 HIS 10 HD1 -0.0128 0.0014 0.0145 134 HIS 10 CE1 -0.0087 -0.0061 0.0153 135 HIS 10 HE1 -0.0145 -0.0028 0.0196 136 HIS 10 C 0.0062 -0.0023 -0.0049 137 HIS 10 O 0.0030 -0.0059 0.0016 138 GLY 11 N -0.0018 -0.0055 -0.0011 139 GLY 11 HN -0.0008 -0.0044 -0.0038 140 GLY 11 CA -0.0018 -0.0063 0.0001 141 GLY 11 HA1 -0.0031 -0.0074 0.0031 142 GLY 11 HA2 -0.0036 -0.0046 -0.0015 143 GLY 11 C 0.0021 -0.0076 -0.0004 144 GLY 11 O 0.0023 -0.0082 0.0004 145 HIS 12 N 0.0049 -0.0075 -0.0067 146 HIS 12 HN 0.0049 -0.0068 -0.0080 147 HIS 12 CA 0.0055 -0.0062 -0.0050 148 HIS 12 HA 0.0056 -0.0063 -0.0042 149 HIS 12 CB 0.0060 -0.0041 -0.0057 150 HIS 12 HB1 0.0064 -0.0033 -0.0044 151 HIS 12 HB2 0.0059 -0.0040 -0.0067 152 HIS 12 CD2 0.0067 -0.0012 -0.0063 153 HIS 12 HD2 0.0072 -0.0001 -0.0054 154 HIS 12 CG 0.0062 -0.0030 -0.0066 155 HIS 12 NE2 0.0066 -0.0010 -0.0074 156 HIS 12 HE2 0.0069 0.0002 -0.0075 157 HIS 12 ND1 0.0057 -0.0039 -0.0078 158 HIS 12 HD1 0.0053 -0.0052 -0.0083 159 HIS 12 CE1 0.0060 -0.0026 -0.0083 160 HIS 12 HE1 0.0058 -0.0029 -0.0092 161 HIS 12 C 0.0055 -0.0069 -0.0036 162 HIS 12 O 0.0052 -0.0076 -0.0043 163 PHE 13 N 0.0030 -0.0064 -0.0012 164 PHE 13 HN 0.0037 -0.0081 -0.0008 165 PHE 13 CA 0.0056 -0.0053 -0.0014 166 PHE 13 HA 0.0044 -0.0044 -0.0016 167 PHE 13 CB 0.0079 -0.0081 -0.0007 168 PHE 13 HB1 0.0096 -0.0075 -0.0008 169 PHE 13 HB2 0.0094 -0.0089 -0.0005 170 PHE 13 CG 0.0058 -0.0110 -0.0002 171 PHE 13 CD1 0.0038 -0.0107 -0.0003 172 PHE 13 HD1 0.0037 -0.0084 -0.0008 173 PHE 13 CE1 0.0017 -0.0133 0.0001 174 PHE 13 HE1 0.0001 -0.0131 0.0000 175 PHE 13 CZ 0.0018 -0.0163 0.0007 176 PHE 13 HZ 0.0002 -0.0183 0.0011 177 PHE 13 CD2 0.0058 -0.0140 0.0004 178 PHE 13 HD2 0.0074 -0.0142 0.0005 179 PHE 13 CE2 0.0038 -0.0166 0.0009 180 PHE 13 HE2 0.0038 -0.0188 0.0013 181 PHE 13 C 0.0077 -0.0026 -0.0019 182 PHE 13 O 0.0083 -0.0024 -0.0019 183 LEU 14 N 0.0062 -0.0006 -0.0005 184 LEU 14 HN 0.0069 0.0000 -0.0004 185 LEU 14 CA 0.0060 -0.0007 -0.0003 186 LEU 14 HA 0.0051 -0.0013 0.0000 187 LEU 14 CB 0.0066 0.0002 0.0007 188 LEU 14 HB1 0.0064 0.0000 0.0008 189 LEU 14 HB2 0.0075 0.0008 0.0003 190 LEU 14 CG 0.0063 0.0004 0.0021 191 LEU 14 HG 0.0065 0.0006 0.0020 192 LEU 14 CD1 0.0068 0.0013 0.0030 193 LEU 14 HD11 0.0066 0.0011 0.0032 194 LEU 14 HD12 0.0066 0.0015 0.0040 195 LEU 14 HD13 0.0077 0.0019 0.0027 196 LEU 14 CD2 0.0050 -0.0004 0.0027 197 LEU 14 HD21 0.0046 -0.0010 0.0021 198 LEU 14 HD22 0.0048 -0.0002 0.0037 199 LEU 14 HD23 0.0047 -0.0007 0.0027 200 LEU 14 C 0.0063 -0.0010 -0.0017 201 LEU 14 O 0.0072 -0.0005 -0.0024 202 SER 15 N 0.0062 -0.0005 -0.0005 203 SER 15 HN 0.0036 -0.0019 0.0015 204 SER 15 CA 0.0064 -0.0015 -0.0050 205 SER 15 HA 0.0094 0.0003 -0.0062 206 SER 15 CB 0.0050 -0.0034 -0.0086 207 SER 15 HB1 0.0048 -0.0044 -0.0118 208 SER 15 HB2 0.0021 -0.0052 -0.0072 209 SER 15 OG 0.0076 -0.0018 -0.0096 210 SER 15 HG1 0.0087 -0.0004 -0.0069 211 SER 15 C 0.0043 -0.0030 -0.0049 212 SER 15 O 0.0014 -0.0043 -0.0021 213 ALA 16 N 0.0066 -0.0019 -0.0016 214 ALA 16 HN 0.0102 -0.0015 -0.0047 215 ALA 16 CA 0.0061 -0.0024 -0.0016 216 ALA 16 HA 0.0025 -0.0024 0.0022 217 ALA 16 CB 0.0118 0.0020 -0.0012 218 ALA 16 HB1 0.0126 0.0053 0.0029 219 ALA 16 HB2 0.0155 0.0022 -0.0052 220 ALA 16 HB3 0.0115 0.0020 -0.0010 221 ALA 16 C 0.0049 -0.0070 -0.0072 222 ALA 16 O 0.0076 -0.0083 -0.0122 223 GLU 17 N 0.0111 -0.0293 -0.0118 224 GLU 17 HN 0.0022 -0.0202 0.0028 225 GLU 17 CA 0.0018 -0.0371 -0.0246 226 GLU 17 HA 0.0168 -0.0442 -0.0360 227 GLU 17 CB -0.0241 -0.0449 -0.0375 228 GLU 17 HB1 -0.0338 -0.0473 -0.0415 229 GLU 17 HB2 -0.0374 -0.0380 -0.0264 230 GLU 17 CG -0.0213 -0.0589 -0.0601 231 GLU 17 HG1 -0.0125 -0.0574 -0.0577 232 GLU 17 HG2 -0.0089 -0.0661 -0.0717 233 GLU 17 CD -0.0483 -0.0653 -0.0707 234 GLU 17 OE1 -0.0541 -0.0714 -0.0807 235 GLU 17 OE2 -0.0656 -0.0627 -0.0667 236 GLU 17 C -0.0045 -0.0275 -0.0092 237 GLU 17 O -0.0194 -0.0177 0.0066 238 GLY 18 N 0.0078 -0.0234 0.0203 239 GLY 18 HN 0.0087 -0.0278 0.0225 240 GLY 18 CA 0.0139 -0.0185 0.0199 241 GLY 18 HA1 0.0143 -0.0177 0.0197 242 GLY 18 HA2 0.0184 -0.0206 0.0222 243 GLY 18 C 0.0137 -0.0119 0.0169 244 GLY 18 O 0.0146 -0.0113 0.0169 245 GLU 19 N 0.0077 -0.0207 0.0205 246 GLU 19 HN 0.0083 -0.0287 0.0258 247 GLU 19 CA 0.0072 -0.0122 0.0146 248 GLU 19 HA 0.0082 -0.0049 0.0077 249 GLU 19 CB 0.0150 -0.0190 0.0098 250 GLU 19 HB1 0.0143 -0.0124 0.0056 251 GLU 19 HB2 0.0139 -0.0265 0.0168 252 GLU 19 CG 0.0253 -0.0246 0.0008 253 GLU 19 HG1 0.0267 -0.0316 0.0043 254 GLU 19 HG2 0.0266 -0.0172 -0.0065 255 GLU 19 CD 0.0327 -0.0310 -0.0039 256 GLU 19 OE1 0.0311 -0.0259 -0.0057 257 GLU 19 OE2 0.0399 -0.0409 -0.0057 258 GLU 19 C -0.0024 -0.0062 0.0224 259 GLU 19 O -0.0034 -0.0001 0.0192 260 ALA 20 N -0.0098 -0.0109 0.0098 261 ALA 20 HN -0.0087 -0.0143 0.0069 262 ALA 20 CA -0.0139 -0.0093 0.0118 263 ALA 20 HA -0.0130 -0.0054 0.0149 264 ALA 20 CB -0.0206 -0.0104 0.0118 265 ALA 20 HB1 -0.0238 -0.0089 0.0135 266 ALA 20 HB2 -0.0213 -0.0089 0.0132 267 ALA 20 HB3 -0.0217 -0.0144 0.0087 268 ALA 20 C -0.0129 -0.0113 0.0100 269 ALA 20 O -0.0096 -0.0145 0.0068 270 VAL 21 N -0.0129 -0.0063 0.0082 271 VAL 21 HN -0.0149 -0.0058 0.0116 272 VAL 21 CA -0.0105 -0.0053 0.0076 273 VAL 21 HA -0.0087 -0.0060 0.0037 274 VAL 21 CB -0.0069 -0.0020 0.0113 275 VAL 21 HB -0.0089 -0.0013 0.0153 276 VAL 21 CG1 -0.0041 -0.0010 0.0103 277 VAL 21 HG11 -0.0066 -0.0020 0.0108 278 VAL 21 HG12 -0.0019 -0.0016 0.0063 279 VAL 21 HG13 -0.0013 0.0015 0.0129 280 VAL 21 CG2 -0.0031 -0.0004 0.0106 281 VAL 21 HG21 -0.0002 0.0021 0.0131 282 VAL 21 HG22 -0.0012 -0.0011 0.0066 283 VAL 21 HG23 -0.0050 -0.0008 0.0118 284 VAL 21 C -0.0147 -0.0069 0.0088 285 VAL 21 O -0.0181 -0.0071 0.0124 286 LYS 22 N -0.0144 -0.0088 0.0084 287 LYS 22 HN -0.0080 -0.0070 0.0015 288 LYS 22 CA -0.0216 -0.0121 0.0097 289 LYS 22 HA -0.0261 -0.0124 0.0189 290 LYS 22 CB -0.0302 -0.0183 -0.0004 291 LYS 22 HB1 -0.0349 -0.0204 0.0007 292 LYS 22 HB2 -0.0365 -0.0211 0.0014 293 LYS 22 CG -0.0245 -0.0183 -0.0137 294 LYS 22 HG1 -0.0237 -0.0184 -0.0164 295 LYS 22 HG2 -0.0157 -0.0140 -0.0141 296 LYS 22 CD -0.0305 -0.0232 -0.0235 297 LYS 22 HD1 -0.0246 -0.0221 -0.0322 298 LYS 22 HD2 -0.0312 -0.0230 -0.0208 299 LYS 22 CE -0.0423 -0.0295 -0.0262 300 LYS 22 HE1 -0.0486 -0.0311 -0.0183 301 LYS 22 HE2 -0.0417 -0.0296 -0.0281 302 LYS 22 NZ -0.0460 -0.0337 -0.0374 303 LYS 22 HZ1 -0.0531 -0.0379 -0.0408 304 LYS 22 HZ2 -0.0469 -0.0340 -0.0367 305 LYS 22 HZ3 -0.0392 -0.0318 -0.0445 306 LYS 22 C -0.0142 -0.0087 0.0086 307 LYS 22 O -0.0046 -0.0050 0.0034 308 THR 23 N -0.0043 -0.0026 0.0011 309 THR 23 HN -0.0052 -0.0023 0.0014 310 THR 23 CA -0.0011 -0.0023 -0.0016 311 THR 23 HA 0.0004 -0.0036 -0.0011 312 THR 23 CB 0.0011 -0.0031 -0.0023 313 THR 23 HB -0.0004 -0.0017 -0.0027 314 THR 23 OG1 0.0020 -0.0059 0.0002 315 THR 23 HG1 0.0032 -0.0062 -0.0003 316 THR 23 CG2 0.0045 -0.0029 -0.0050 317 THR 23 HG21 0.0061 -0.0037 -0.0053 318 THR 23 HG22 0.0040 -0.0006 -0.0071 319 THR 23 HG23 0.0059 -0.0041 -0.0046 320 THR 23 C -0.0020 0.0007 -0.0043 321 THR 23 O -0.0044 0.0027 -0.0047 322 HIS 24 N 0.0019 -0.0036 -0.0061 323 HIS 24 HN 0.0010 -0.0047 -0.0064 324 HIS 24 CA 0.0022 -0.0038 -0.0047 325 HIS 24 HA 0.0031 -0.0025 -0.0049 326 HIS 24 CB 0.0027 -0.0042 -0.0024 327 HIS 24 HB1 0.0018 -0.0055 -0.0022 328 HIS 24 HB2 0.0036 -0.0031 -0.0022 329 HIS 24 CD2 0.0029 -0.0055 0.0012 330 HIS 24 HD2 0.0024 -0.0065 0.0019 331 HIS 24 CG 0.0031 -0.0044 -0.0007 332 HIS 24 NE2 0.0036 -0.0051 0.0022 333 HIS 24 HE2 0.0038 -0.0056 0.0037 334 HIS 24 ND1 0.0038 -0.0033 -0.0009 335 HIS 24 HD1 0.0041 -0.0024 -0.0022 336 HIS 24 CE1 0.0041 -0.0038 0.0008 337 HIS 24 HE1 0.0047 -0.0031 0.0012 338 HIS 24 C 0.0011 -0.0052 -0.0051 339 HIS 24 O -0.0001 -0.0066 -0.0055 340 HIS 25 N 0.0073 -0.0028 -0.0015 341 HIS 25 HN 0.0065 -0.0017 -0.0014 342 HIS 25 CA 0.0053 -0.0067 -0.0044 343 HIS 25 HA 0.0042 -0.0060 -0.0047 344 HIS 25 CB 0.0012 -0.0072 -0.0068 345 HIS 25 HB1 -0.0016 -0.0041 -0.0068 346 HIS 25 HB2 -0.0001 -0.0103 -0.0090 347 HIS 25 CD2 0.0032 -0.0111 -0.0077 348 HIS 25 HD2 0.0036 -0.0148 -0.0092 349 HIS 25 CG 0.0022 -0.0074 -0.0064 350 HIS 25 NE2 0.0036 -0.0093 -0.0066 351 HIS 25 HE2 0.0044 -0.0111 -0.0071 352 HIS 25 ND1 0.0020 -0.0033 -0.0046 353 HIS 25 HD1 0.0013 -0.0001 -0.0034 354 HIS 25 CE1 0.0028 -0.0046 -0.0048 355 HIS 25 HE1 0.0029 -0.0022 -0.0036 356 HIS 25 C 0.0087 -0.0113 -0.0048 357 HIS 25 O 0.0082 -0.0144 -0.0066 358 GLY 26 N 0.0100 -0.0183 0.0103 359 GLY 26 HN 0.0133 -0.0157 0.0099 360 GLY 26 CA 0.0107 -0.0226 0.0137 361 GLY 26 HA1 0.0080 -0.0231 0.0128 362 GLY 26 HA2 0.0150 -0.0218 0.0150 363 GLY 26 C 0.0096 -0.0273 0.0165 364 GLY 26 O 0.0098 -0.0273 0.0167 365 HIS 27 N 0.0148 -0.0237 0.0192 366 HIS 27 HN 0.0150 -0.0293 0.0228 367 HIS 27 CA 0.0150 -0.0237 0.0172 368 HIS 27 HA 0.0161 -0.0312 0.0163 369 HIS 27 CB 0.0156 -0.0181 0.0082 370 HIS 27 HB1 0.0158 -0.0190 0.0074 371 HIS 27 HB2 0.0146 -0.0104 0.0087 372 HIS 27 CD2 0.0177 -0.0177 -0.0071 373 HIS 27 HD2 0.0168 -0.0105 -0.0072 374 HIS 27 CG 0.0173 -0.0220 -0.0006 375 HIS 27 NE2 0.0194 -0.0247 -0.0135 376 HIS 27 HE2 0.0201 -0.0241 -0.0189 377 HIS 27 ND1 0.0188 -0.0315 -0.0030 378 HIS 27 HD1 0.0189 -0.0362 0.0005 379 HIS 27 CE1 0.0200 -0.0328 -0.0108 380 HIS 27 HE1 0.0214 -0.0396 -0.0145 381 HIS 27 C 0.0134 -0.0203 0.0262 382 HIS 27 O 0.0120 -0.0134 0.0303 383 HIS 28 N 0.0227 0.0410 0.0071 384 HIS 28 HN 0.0338 0.0661 0.0173 385 HIS 28 CA 0.0071 0.0418 -0.0329 386 HIS 28 HA 0.0119 0.0717 -0.0419 387 HIS 28 CB -0.0035 0.0223 -0.0458 388 HIS 28 HB1 0.0050 0.0381 -0.0355 389 HIS 28 HB2 -0.0148 0.0259 -0.0766 390 HIS 28 CD2 -0.0068 -0.0354 -0.0130 391 HIS 28 HD2 0.0021 -0.0215 -0.0005 392 HIS 28 CG -0.0103 -0.0193 -0.0332 393 HIS 28 NE2 -0.0165 -0.0748 -0.0094 394 HIS 28 HE2 -0.0164 -0.0933 0.0040 395 HIS 28 ND1 -0.0227 -0.0499 -0.0428 396 HIS 28 HD1 -0.0283 -0.0485 -0.0579 397 HIS 28 CE1 -0.0257 -0.0821 -0.0275 398 HIS 28 HE1 -0.0343 -0.1102 -0.0291 399 HIS 28 C -0.0051 0.0314 -0.0563 400 HIS 28 O -0.0135 0.0465 -0.0881 401 ASP 29 N 0.0219 -0.0166 0.0305 402 ASP 29 HN 0.0216 -0.0162 0.0300 403 ASP 29 CA 0.0180 -0.0196 0.0392 404 ASP 29 HA 0.0125 -0.0171 0.0381 405 ASP 29 CB 0.0132 -0.0211 0.0454 406 ASP 29 HB1 0.0102 -0.0234 0.0522 407 ASP 29 HB2 0.0185 -0.0233 0.0462 408 ASP 29 CG 0.0051 -0.0161 0.0414 409 ASP 29 OD1 0.0021 -0.0166 0.0444 410 ASP 29 OD2 0.0015 -0.0119 0.0355 411 ASP 29 C 0.0255 -0.0244 0.0435 412 ASP 29 O 0.0337 -0.0272 0.0432 413 HIS 30 N 0.0189 -0.0039 0.0391 414 HIS 30 HN 0.0065 0.0018 0.0405 415 HIS 30 CA 0.0002 -0.0192 0.0370 416 HIS 30 HA 0.0121 -0.0142 0.0375 417 HIS 30 CB -0.0358 -0.0070 0.0403 418 HIS 30 HB1 -0.0491 -0.0182 0.0388 419 HIS 30 HB2 -0.0491 -0.0134 0.0397 420 HIS 30 CD2 -0.0498 0.0520 0.0512 421 HIS 30 HD2 -0.0609 0.0495 0.0512 422 HIS 30 CG -0.0376 0.0290 0.0468 423 HIS 30 NE2 -0.0458 0.0811 0.0562 424 HIS 30 HE2 -0.0513 0.1030 0.0603 425 HIS 30 ND1 -0.0266 0.0430 0.0489 426 HIS 30 HD1 -0.0168 0.0317 0.0466 427 HIS 30 CE1 -0.0317 0.0742 0.0545 428 HIS 30 HE1 -0.0251 0.0928 0.0576 429 HIS 30 C -0.0009 -0.0557 0.0306 430 HIS 30 O -0.0039 -0.0679 0.0285 431 HIS 31 N 0.0020 -0.0090 0.0111 432 HIS 31 HN 0.0001 -0.0096 0.0120 433 HIS 31 CA 0.0023 -0.0091 0.0076 434 HIS 31 HA 0.0046 -0.0083 0.0069 435 HIS 31 CB -0.0000 -0.0101 0.0061 436 HIS 31 HB1 -0.0001 -0.0103 0.0034 437 HIS 31 HB2 -0.0023 -0.0109 0.0071 438 HIS 31 CD2 -0.0003 -0.0099 0.0093 439 HIS 31 HD2 -0.0015 -0.0102 0.0115 440 HIS 31 CG 0.0006 -0.0098 0.0068 441 HIS 31 NE2 0.0007 -0.0096 0.0086 442 HIS 31 HE2 0.0006 -0.0096 0.0100 443 HIS 31 ND1 0.0021 -0.0094 0.0044 444 HIS 31 HD1 0.0029 -0.0093 0.0023 445 HIS 31 CE1 0.0021 -0.0093 0.0056 446 HIS 31 HE1 0.0031 -0.0090 0.0044 447 HIS 31 C 0.0019 -0.0094 0.0060 448 HIS 31 O 0.0004 -0.0098 0.0072 449 THR 32 N 0.0111 0.0088 -0.0056 450 THR 32 HN 0.0097 0.0088 -0.0054 451 THR 32 CA 0.0123 0.0110 -0.0057 452 THR 32 HA 0.0141 0.0106 -0.0060 453 THR 32 CB 0.0118 0.0126 -0.0056 454 THR 32 HB 0.0099 0.0130 -0.0054 455 THR 32 OG1 0.0122 0.0115 -0.0057 456 THR 32 HG1 0.0121 0.0099 -0.0057 457 THR 32 CG2 0.0131 0.0148 -0.0058 458 THR 32 HG21 0.0127 0.0159 -0.0058 459 THR 32 HG22 0.0128 0.0158 -0.0058 460 THR 32 HG23 0.0150 0.0144 -0.0061 461 THR 32 C 0.0119 0.0121 -0.0057 462 THR 32 O 0.0100 0.0126 -0.0054 463 HIS 33 N 0.0146 0.0140 -0.0009 464 HIS 33 HN 0.0163 0.0137 -0.0008 465 HIS 33 CA 0.0115 0.0151 -0.0021 466 HIS 33 HA 0.0097 0.0152 -0.0017 467 HIS 33 CB 0.0101 0.0147 -0.0009 468 HIS 33 HB1 0.0078 0.0156 -0.0020 469 HIS 33 HB2 0.0119 0.0146 -0.0013 470 HIS 33 CD2 0.0092 0.0123 0.0045 471 HIS 33 HD2 0.0099 0.0124 0.0042 472 HIS 33 CG 0.0091 0.0133 0.0025 473 HIS 33 NE2 0.0082 0.0112 0.0074 474 HIS 33 HE2 0.0082 0.0102 0.0094 475 HIS 33 ND1 0.0081 0.0128 0.0040 476 HIS 33 HD1 0.0078 0.0133 0.0030 477 HIS 33 CE1 0.0076 0.0115 0.0069 478 HIS 33 HE1 0.0068 0.0108 0.0087 479 HIS 33 C 0.0123 0.0166 -0.0055 480 HIS 33 O 0.0145 0.0167 -0.0066 481 PHE 34 N 0.0127 0.0122 -0.0046 482 PHE 34 HN 0.0132 0.0125 -0.0041 483 PHE 34 CA 0.0126 0.0114 -0.0044 484 PHE 34 HA 0.0120 0.0109 -0.0048 485 PHE 34 CB 0.0131 0.0108 -0.0033 486 PHE 34 HB1 0.0130 0.0104 -0.0031 487 PHE 34 HB2 0.0136 0.0114 -0.0029 488 PHE 34 CG 0.0129 0.0101 -0.0031 489 PHE 34 CD1 0.0122 0.0091 -0.0035 490 PHE 34 HD1 0.0119 0.0090 -0.0039 491 PHE 34 CE1 0.0121 0.0084 -0.0032 492 PHE 34 HE1 0.0116 0.0077 -0.0035 493 PHE 34 CZ 0.0125 0.0086 -0.0027 494 PHE 34 HZ 0.0124 0.0080 -0.0025 495 PHE 34 CD2 0.0133 0.0103 -0.0026 496 PHE 34 HD2 0.0138 0.0110 -0.0023 497 PHE 34 CE2 0.0132 0.0095 -0.0024 498 PHE 34 HE2 0.0135 0.0097 -0.0019 499 PHE 34 C 0.0127 0.0120 -0.0046 500 PHE 34 O 0.0132 0.0128 -0.0043 501 HIS 35 N 0.0087 0.0083 -0.0024 502 HIS 35 HN 0.0088 0.0081 -0.0025 503 HIS 35 CA 0.0060 0.0071 -0.0029 504 HIS 35 HA 0.0060 0.0077 -0.0026 505 HIS 35 CB 0.0029 0.0082 -0.0023 506 HIS 35 HB1 0.0007 0.0070 -0.0028 507 HIS 35 HB2 0.0030 0.0080 -0.0024 508 HIS 35 CD2 0.0036 0.0137 0.0003 509 HIS 35 HD2 0.0051 0.0138 0.0003 510 HIS 35 CG 0.0025 0.0114 -0.0008 511 HIS 35 NE2 0.0026 0.0162 0.0015 512 HIS 35 HE2 0.0031 0.0182 0.0025 513 HIS 35 ND1 0.0007 0.0125 -0.0002 514 HIS 35 HD1 -0.0005 0.0113 -0.0007 515 HIS 35 CE1 0.0009 0.0154 0.0012 516 HIS 35 HE1 -0.0004 0.0168 0.0019 517 HIS 35 C 0.0060 0.0039 -0.0045 518 HIS 35 O 0.0063 0.0026 -0.0051 519 VAL 36 N 0.0040 -0.0039 -0.0072 520 VAL 36 HN 0.0057 -0.0038 -0.0083 521 VAL 36 CA 0.0043 -0.0049 -0.0045 522 VAL 36 HA 0.0025 -0.0049 -0.0037 523 VAL 36 CB 0.0069 -0.0056 -0.0041 524 VAL 36 HB 0.0087 -0.0056 -0.0049 525 VAL 36 CG1 0.0072 -0.0067 -0.0012 526 VAL 36 HG11 0.0076 -0.0072 -0.0002 527 VAL 36 HG12 0.0054 -0.0068 -0.0002 528 VAL 36 HG13 0.0090 -0.0071 -0.0009 529 VAL 36 CG2 0.0067 -0.0050 -0.0055 530 VAL 36 HG21 0.0050 -0.0050 -0.0046 531 VAL 36 HG22 0.0065 -0.0042 -0.0076 532 VAL 36 HG23 0.0086 -0.0054 -0.0052 533 VAL 36 C 0.0044 -0.0055 -0.0031 534 VAL 36 O 0.0060 -0.0055 -0.0038 535 GLU 37 N 0.0042 -0.0057 -0.0031 536 GLU 37 HN 0.0040 -0.0058 -0.0030 537 GLU 37 CA 0.0027 -0.0067 -0.0021 538 GLU 37 HA 0.0029 -0.0065 -0.0023 539 GLU 37 CB 0.0005 -0.0057 -0.0018 540 GLU 37 HB1 0.0001 -0.0060 -0.0015 541 GLU 37 HB2 0.0004 -0.0041 -0.0026 542 GLU 37 CG -0.0012 -0.0064 -0.0008 543 GLU 37 HG1 -0.0008 -0.0062 -0.0011 544 GLU 37 HG2 -0.0013 -0.0079 0.0001 545 GLU 37 CD -0.0033 -0.0051 -0.0007 546 GLU 37 OE1 -0.0043 -0.0054 -0.0002 547 GLU 37 OE2 -0.0039 -0.0038 -0.0012 548 GLU 37 C 0.0031 -0.0088 -0.0010 549 GLU 37 O 0.0033 -0.0094 -0.0008 550 ASN 38 N 0.0084 -0.0037 -0.0094 551 ASN 38 HN 0.0117 0.0004 -0.0166 552 ASN 38 CA 0.0104 -0.0027 -0.0005 553 ASN 38 HA 0.0089 -0.0051 0.0080 554 ASN 38 CB 0.0199 0.0071 0.0013 555 ASN 38 HB1 0.0230 0.0098 0.0061 556 ASN 38 HB2 0.0211 0.0078 0.0069 557 ASN 38 CG 0.0238 0.0125 -0.0106 558 ASN 38 OD1 0.0219 0.0112 -0.0171 559 ASN 38 ND2 0.0296 0.0189 -0.0136 560 ASN 38 HD21 0.0323 0.0225 -0.0213 561 ASN 38 HD22 0.0314 0.0201 -0.0081 562 ASN 38 C 0.0050 -0.0081 -0.0021 563 ASN 38 O 0.0023 -0.0099 -0.0119 564 HIS 39 N 0.0050 -0.0074 -0.0025 565 HIS 39 HN 0.0062 -0.0076 -0.0018 566 HIS 39 CA 0.0036 -0.0090 -0.0023 567 HIS 39 HA 0.0026 -0.0089 -0.0030 568 HIS 39 CB 0.0029 -0.0094 -0.0025 569 HIS 39 HB1 0.0021 -0.0108 -0.0021 570 HIS 39 HB2 0.0040 -0.0093 -0.0020 571 HIS 39 CD2 0.0020 -0.0069 -0.0044 572 HIS 39 HD2 0.0032 -0.0062 -0.0041 573 HIS 39 CG 0.0017 -0.0083 -0.0037 574 HIS 39 NE2 0.0004 -0.0065 -0.0054 575 HIS 39 HE2 0.0002 -0.0054 -0.0061 576 HIS 39 ND1 -0.0001 -0.0088 -0.0043 577 HIS 39 HD1 -0.0007 -0.0099 -0.0041 578 HIS 39 CE1 -0.0008 -0.0077 -0.0053 579 HIS 39 HE1 -0.0022 -0.0077 -0.0061 580 HIS 39 C 0.0044 -0.0105 -0.0011 581 HIS 39 O 0.0040 -0.0119 -0.0005 582 GLY 40 N 0.0139 0.0176 -0.0155 583 GLY 40 HN 0.0097 0.0176 -0.0118 584 GLY 40 CA 0.0088 0.0259 -0.0220 585 GLY 40 HA1 0.0152 0.0262 -0.0282 586 GLY 40 HA2 0.0042 0.0315 -0.0254 587 GLY 40 C 0.0003 0.0264 -0.0151 588 GLY 40 O -0.0061 0.0239 -0.0062 589 GLY 41 N 0.0051 0.0172 -0.0151 590 GLY 41 HN 0.0060 0.0155 -0.0191 591 GLY 41 CA 0.0028 0.0179 -0.0048 592 GLY 41 HA1 0.0025 0.0172 -0.0034 593 GLY 41 HA2 0.0020 0.0249 -0.0026 594 GLY 41 C 0.0017 0.0104 0.0015 595 GLY 41 O -0.0002 0.0120 0.0100 596 LYS 42 N 0.0036 -0.0077 0.0020 597 LYS 42 HN 0.0030 -0.0079 0.0013 598 LYS 42 CA 0.0036 -0.0078 0.0021 599 LYS 42 HA 0.0043 -0.0073 0.0027 600 LYS 42 CB 0.0032 -0.0092 0.0025 601 LYS 42 HB1 0.0030 -0.0092 0.0023 602 LYS 42 HB2 0.0025 -0.0097 0.0021 603 LYS 42 CG 0.0038 -0.0097 0.0039 604 LYS 42 HG1 0.0040 -0.0097 0.0041 605 LYS 42 HG2 0.0045 -0.0091 0.0042 606 LYS 42 CD 0.0035 -0.0110 0.0044 607 LYS 42 HD1 0.0040 -0.0112 0.0053 608 LYS 42 HD2 0.0032 -0.0110 0.0040 609 LYS 42 CE 0.0026 -0.0121 0.0041 610 LYS 42 HE1 0.0024 -0.0130 0.0044 611 LYS 42 HE2 0.0020 -0.0119 0.0031 612 LYS 42 NZ 0.0029 -0.0122 0.0046 613 LYS 42 HZ1 0.0024 -0.0130 0.0045 614 LYS 42 HZ2 0.0035 -0.0123 0.0055 615 LYS 42 HZ3 0.0031 -0.0114 0.0042 616 LYS 42 C 0.0032 -0.0071 0.0009 617 LYS 42 O 0.0025 -0.0071 0.0000 618 VAL 43 N 0.0038 -0.0064 0.0033 619 VAL 43 HN 0.0038 -0.0065 0.0045 620 VAL 43 CA 0.0037 -0.0063 0.0019 621 VAL 43 HA 0.0039 -0.0057 0.0009 622 VAL 43 CB 0.0041 -0.0054 0.0024 623 VAL 43 HB 0.0041 -0.0052 0.0012 624 VAL 43 CG1 0.0048 -0.0037 0.0030 625 VAL 43 HG11 0.0051 -0.0030 0.0031 626 VAL 43 HG12 0.0050 -0.0031 0.0020 627 VAL 43 HG13 0.0048 -0.0038 0.0042 628 VAL 43 CG2 0.0039 -0.0062 0.0037 629 VAL 43 HG21 0.0042 -0.0055 0.0041 630 VAL 43 HG22 0.0038 -0.0065 0.0049 631 VAL 43 HG23 0.0034 -0.0074 0.0033 632 VAL 43 C 0.0031 -0.0079 0.0014 633 VAL 43 O 0.0027 -0.0091 0.0023 634 ALA 44 N 0.0014 -0.0082 -0.0012 635 ALA 44 HN 0.0012 -0.0078 -0.0013 636 ALA 44 CA 0.0006 -0.0075 -0.0014 637 ALA 44 HA 0.0009 -0.0079 -0.0012 638 ALA 44 CB -0.0010 -0.0076 -0.0012 639 ALA 44 HB1 -0.0013 -0.0087 -0.0008 640 ALA 44 HB2 -0.0013 -0.0071 -0.0014 641 ALA 44 HB3 -0.0016 -0.0071 -0.0014 642 ALA 44 C 0.0011 -0.0061 -0.0020 643 ALA 44 O 0.0013 -0.0056 -0.0022 644 LEU 45 N 0.0027 -0.0026 0.0011 645 LEU 45 HN 0.0023 -0.0030 0.0014 646 LEU 45 CA 0.0031 -0.0017 0.0005 647 LEU 45 HA 0.0037 -0.0013 0.0003 648 LEU 45 CB 0.0038 -0.0017 0.0006 649 LEU 45 HB1 0.0041 -0.0010 0.0000 650 LEU 45 HB2 0.0032 -0.0021 0.0008 651 LEU 45 CG 0.0050 -0.0023 0.0011 652 LEU 45 HG 0.0047 -0.0030 0.0016 653 LEU 45 CD1 0.0055 -0.0024 0.0012 654 LEU 45 HD11 0.0064 -0.0028 0.0016 655 LEU 45 HD12 0.0049 -0.0027 0.0014 656 LEU 45 HD13 0.0058 -0.0016 0.0007 657 LEU 45 CD2 0.0059 -0.0018 0.0008 658 LEU 45 HD21 0.0058 -0.0010 0.0002 659 LEU 45 HD22 0.0057 -0.0021 0.0010 660 LEU 45 HD23 0.0068 -0.0020 0.0010 661 LEU 45 C 0.0020 -0.0011 -0.0001 662 LEU 45 O 0.0012 -0.0013 0.0000 663 LYS 46 N 0.0042 0.0020 0.0005 664 LYS 46 HN 0.0042 0.0013 0.0004 665 LYS 46 CA 0.0024 0.0053 0.0020 666 LYS 46 HA 0.0031 0.0062 0.0018 667 LYS 46 CB -0.0016 0.0044 0.0039 668 LYS 46 HB1 -0.0021 0.0017 0.0038 669 LYS 46 HB2 -0.0027 0.0067 0.0050 670 LYS 46 CG -0.0033 0.0039 0.0047 671 LYS 46 HG1 -0.0030 0.0066 0.0051 672 LYS 46 HG2 -0.0020 0.0017 0.0037 673 LYS 46 CD -0.0071 0.0026 0.0065 674 LYS 46 HD1 -0.0072 -0.0003 0.0060 675 LYS 46 HD2 -0.0082 0.0046 0.0074 676 LYS 46 CE -0.0093 0.0025 0.0076 677 LYS 46 HE1 -0.0094 0.0054 0.0082 678 LYS 46 HE2 -0.0082 0.0006 0.0067 679 LYS 46 NZ -0.0128 0.0009 0.0092 680 LYS 46 HZ1 -0.0128 -0.0021 0.0086 681 LYS 46 HZ2 -0.0146 0.0015 0.0102 682 LYS 46 HZ3 -0.0136 0.0018 0.0097 683 LYS 46 C 0.0034 0.0086 0.0021 684 LYS 46 O 0.0046 0.0083 0.0014 685 THR 47 N 0.0059 0.0078 0.0009 686 THR 47 HN 0.0054 0.0079 0.0012 687 THR 47 CA 0.0065 0.0112 0.0017 688 THR 47 HA 0.0085 0.0110 0.0007 689 THR 47 CB 0.0076 0.0143 0.0021 690 THR 47 HB 0.0085 0.0167 0.0025 691 THR 47 OG1 0.0050 0.0151 0.0035 692 THR 47 HG1 0.0061 0.0168 0.0035 693 THR 47 CG2 0.0106 0.0134 0.0005 694 THR 47 HG21 0.0098 0.0111 0.0002 695 THR 47 HG22 0.0115 0.0157 0.0008 696 THR 47 HG23 0.0127 0.0127 -0.0007 697 THR 47 C 0.0034 0.0120 0.0033 698 THR 47 O 0.0006 0.0103 0.0040 699 HIS 48 N 0.0073 0.0140 0.0047 700 HIS 48 HN 0.0084 0.0154 0.0022 701 HIS 48 CA 0.0065 0.0141 0.0061 702 HIS 48 HA 0.0069 0.0111 0.0069 703 HIS 48 CB 0.0076 0.0160 0.0033 704 HIS 48 HB1 0.0094 0.0144 0.0011 705 HIS 48 HB2 0.0070 0.0160 0.0043 706 HIS 48 CD2 0.0062 0.0234 0.0021 707 HIS 48 HD2 0.0053 0.0239 0.0033 708 HIS 48 CG 0.0072 0.0201 0.0018 709 HIS 48 NE2 0.0064 0.0263 0.0002 710 HIS 48 HE2 0.0059 0.0291 -0.0002 711 HIS 48 ND1 0.0082 0.0209 -0.0001 712 HIS 48 HD1 0.0091 0.0190 -0.0007 713 HIS 48 CE1 0.0076 0.0247 -0.0010 714 HIS 48 HE1 0.0081 0.0263 -0.0026 715 HIS 48 C 0.0041 0.0162 0.0092 716 HIS 48 O 0.0030 0.0153 0.0115 717 CYS 49 N -0.0147 0.0276 0.0323 718 CYS 49 HN -0.0044 0.0308 0.0194 719 CYS 49 CA -0.0221 0.0392 0.0489 720 CYS 49 HA -0.0314 0.0397 0.0622 721 CYS 49 CB -0.0110 0.0634 0.0463 722 CYS 49 HB1 -0.0021 0.0628 0.0335 723 CYS 49 HB2 -0.0059 0.0705 0.0430 724 CYS 49 SG -0.0192 0.0817 0.0677 725 CYS 49 HG1 -0.0275 0.0665 0.0712 726 CYS 49 C -0.0279 0.0271 0.0504 727 CYS 49 O -0.0344 0.0341 0.0634 728 GLY 50 N -0.0090 0.0191 0.0178 729 GLY 50 HN -0.0073 0.0188 0.0166 730 GLY 50 CA -0.0124 0.0130 0.0144 731 GLY 50 HA1 -0.0174 0.0132 0.0171 732 GLY 50 HA2 -0.0134 0.0094 0.0119 733 GLY 50 C -0.0075 0.0113 0.0105 734 GLY 50 O -0.0101 0.0073 0.0086 735 LYS 51 N -0.0022 0.0090 0.0076 736 LYS 51 HN -0.0018 0.0102 0.0107 737 LYS 51 CA 0.0012 0.0063 0.0057 738 LYS 51 HA 0.0009 0.0052 0.0029 739 LYS 51 CB 0.0052 0.0055 0.0087 740 LYS 51 HB1 0.0077 0.0033 0.0070 741 LYS 51 HB2 0.0057 0.0064 0.0114 742 LYS 51 CG 0.0052 0.0062 0.0104 743 LYS 51 HG1 0.0080 0.0058 0.0129 744 LYS 51 HG2 0.0026 0.0083 0.0118 745 LYS 51 CD 0.0054 0.0046 0.0071 746 LYS 51 HD1 0.0028 0.0048 0.0045 747 LYS 51 HD2 0.0082 0.0025 0.0059 748 LYS 51 CE 0.0053 0.0055 0.0089 749 LYS 51 HE1 0.0076 0.0056 0.0118 750 LYS 51 HE2 0.0023 0.0074 0.0095 751 LYS 51 NZ 0.0064 0.0036 0.0060 752 LYS 51 HZ1 0.0060 0.0043 0.0070 753 LYS 51 HZ2 0.0093 0.0018 0.0057 754 LYS 51 HZ3 0.0046 0.0032 0.0030 755 LYS 51 C 0.0013 0.0057 0.0046 756 LYS 51 O 0.0007 0.0071 0.0070 757 TYR 52 N -0.0015 0.0047 0.0039 758 TYR 52 HN -0.0019 0.0047 0.0040 759 TYR 52 CA -0.0011 0.0034 0.0030 760 TYR 52 HA -0.0012 0.0034 0.0030 761 TYR 52 CB -0.0021 0.0022 0.0027 762 TYR 52 HB1 -0.0016 0.0012 0.0020 763 TYR 52 HB2 -0.0023 0.0023 0.0028 764 TYR 52 CG -0.0036 0.0020 0.0031 765 TYR 52 CD1 -0.0046 0.0028 0.0039 766 TYR 52 HD1 -0.0044 0.0036 0.0043 767 TYR 52 CE1 -0.0060 0.0026 0.0043 768 TYR 52 HE1 -0.0068 0.0033 0.0049 769 TYR 52 CZ -0.0064 0.0016 0.0038 770 TYR 52 OH -0.0078 0.0014 0.0042 771 TYR 52 HH -0.0078 0.0006 0.0038 772 TYR 52 CD2 -0.0040 0.0009 0.0026 773 TYR 52 HD2 -0.0032 0.0003 0.0020 774 TYR 52 CE2 -0.0054 0.0007 0.0030 775 TYR 52 HE2 -0.0056 -0.0001 0.0026 776 TYR 52 C 0.0005 0.0033 0.0024 777 TYR 52 O 0.0010 0.0036 0.0024 778 LEU 53 N -0.0014 0.0043 0.0015 779 LEU 53 HN -0.0013 0.0049 0.0015 780 LEU 53 CA -0.0007 0.0036 0.0022 781 LEU 53 HA -0.0008 0.0034 0.0021 782 LEU 53 CB 0.0002 0.0041 0.0029 783 LEU 53 HB1 0.0007 0.0035 0.0034 784 LEU 53 HB2 0.0003 0.0045 0.0029 785 LEU 53 CG 0.0005 0.0051 0.0030 786 LEU 53 HG 0.0004 0.0048 0.0029 787 LEU 53 CD1 0.0001 0.0062 0.0024 788 LEU 53 HD11 0.0004 0.0069 0.0025 789 LEU 53 HD12 -0.0006 0.0061 0.0018 790 LEU 53 HD13 0.0002 0.0066 0.0025 791 LEU 53 CD2 0.0016 0.0054 0.0038 792 LEU 53 HD21 0.0019 0.0046 0.0042 793 LEU 53 HD22 0.0018 0.0061 0.0038 794 LEU 53 HD23 0.0018 0.0057 0.0039 795 LEU 53 C -0.0009 0.0024 0.0022 796 LEU 53 O -0.0011 0.0023 0.0021 797 SER 54 N -0.0085 0.0054 -0.0006 798 SER 54 HN -0.0075 0.0055 0.0003 799 SER 54 CA -0.0076 0.0062 -0.0027 800 SER 54 HA -0.0089 0.0061 -0.0038 801 SER 54 CB -0.0057 0.0068 -0.0022 802 SER 54 HB1 -0.0044 0.0070 -0.0011 803 SER 54 HB2 -0.0063 0.0064 -0.0013 804 SER 54 OG -0.0048 0.0076 -0.0043 805 SER 54 HG1 -0.0059 0.0074 -0.0049 806 SER 54 C -0.0068 0.0068 -0.0038 807 SER 54 O -0.0061 0.0067 -0.0026 808 ILE 55 N -0.0097 0.0042 -0.0115 809 ILE 55 HN -0.0099 0.0048 -0.0123 810 ILE 55 CA -0.0097 0.0040 -0.0113 811 ILE 55 HA -0.0098 0.0034 -0.0103 812 ILE 55 CB -0.0109 0.0048 -0.0116 813 ILE 55 HB -0.0107 0.0055 -0.0126 814 ILE 55 CG2 -0.0122 0.0050 -0.0111 815 ILE 55 HG21 -0.0124 0.0044 -0.0101 816 ILE 55 HG22 -0.0122 0.0054 -0.0115 817 ILE 55 HG23 -0.0131 0.0056 -0.0112 818 ILE 55 CG1 -0.0110 0.0046 -0.0112 819 ILE 55 HG11 -0.0101 0.0046 -0.0118 820 ILE 55 HG12 -0.0120 0.0051 -0.0113 821 ILE 55 CD -0.0108 0.0035 -0.0099 822 ILE 55 HD1 -0.0098 0.0030 -0.0098 823 ILE 55 HD2 -0.0116 0.0034 -0.0092 824 ILE 55 HD3 -0.0110 0.0034 -0.0096 825 ILE 55 C -0.0083 0.0039 -0.0120 826 ILE 55 O -0.0079 0.0037 -0.0120 827 GLY 56 N -0.0043 0.0115 -0.0148 828 GLY 56 HN -0.0065 0.0110 -0.0136 829 GLY 56 CA -0.0009 0.0122 -0.0150 830 GLY 56 HA1 0.0007 0.0126 -0.0124 831 GLY 56 HA2 -0.0019 0.0120 -0.0154 832 GLY 56 C 0.0018 0.0127 -0.0184 833 GLY 56 O 0.0007 0.0124 -0.0217 834 ASP 57 N 0.0016 0.0045 -0.0216 835 ASP 57 HN -0.0084 0.0236 -0.0181 836 ASP 57 CA 0.0103 -0.0086 -0.0245 837 ASP 57 HA 0.0095 -0.0325 -0.0249 838 ASP 57 CB -0.0100 0.0021 -0.0183 839 ASP 57 HB1 -0.0040 -0.0072 -0.0203 840 ASP 57 HB2 -0.0094 0.0268 -0.0178 841 ASP 57 CG -0.0411 -0.0067 -0.0096 842 ASP 57 OD1 -0.0471 -0.0256 -0.0084 843 ASP 57 OD2 -0.0589 0.0049 -0.0041 844 ASP 57 C 0.0407 0.0008 -0.0330 845 ASP 57 O 0.0497 -0.0034 -0.0357 846 HIS 58 N 0.0015 -0.0071 -0.0214 847 HIS 58 HN -0.0026 -0.0068 -0.0203 848 HIS 58 CA 0.0053 -0.0065 -0.0190 849 HIS 58 HA 0.0082 -0.0073 -0.0222 850 HIS 58 CB 0.0090 -0.0054 -0.0142 851 HIS 58 HB1 0.0061 -0.0047 -0.0113 852 HIS 58 HB2 0.0119 -0.0059 -0.0161 853 HIS 58 CD2 0.0131 -0.0032 -0.0051 854 HIS 58 HD2 0.0107 -0.0025 -0.0018 855 HIS 58 CG 0.0128 -0.0046 -0.0108 856 HIS 58 NE2 0.0173 -0.0030 -0.0041 857 HIS 58 HE2 0.0188 -0.0021 -0.0004 858 HIS 58 ND1 0.0166 -0.0052 -0.0134 859 HIS 58 HD1 0.0173 -0.0062 -0.0175 860 HIS 58 CE1 0.0193 -0.0042 -0.0092 861 HIS 58 HE1 0.0227 -0.0044 -0.0098 862 HIS 58 C 0.0022 -0.0060 -0.0169 863 HIS 58 O -0.0031 -0.0060 -0.0167 864 LYS 59 N -0.0056 -0.0140 -0.0170 865 LYS 59 HN 0.0037 -0.0157 -0.0167 866 LYS 59 CA -0.0028 -0.0096 -0.0117 867 LYS 59 HA -0.0084 -0.0144 -0.0179 868 LYS 59 CB 0.0149 -0.0109 -0.0092 869 LYS 59 HB1 0.0167 -0.0068 -0.0045 870 LYS 59 HB2 0.0205 -0.0063 -0.0032 871 LYS 59 CG 0.0233 -0.0228 -0.0199 872 LYS 59 HG1 0.0356 -0.0227 -0.0171 873 LYS 59 HG2 0.0240 -0.0262 -0.0233 874 LYS 59 CD 0.0156 -0.0306 -0.0298 875 LYS 59 HD1 0.0232 -0.0386 -0.0366 876 LYS 59 HD2 0.0046 -0.0320 -0.0337 877 LYS 59 CE 0.0111 -0.0266 -0.0266 878 LYS 59 HE1 0.0062 -0.0331 -0.0345 879 LYS 59 HE2 0.0022 -0.0191 -0.0207 880 LYS 59 NZ 0.0246 -0.0239 -0.0208 881 LYS 59 HZ1 0.0336 -0.0305 -0.0258 882 LYS 59 HZ2 0.0285 -0.0172 -0.0129 883 LYS 59 HZ3 0.0214 -0.0219 -0.0194 884 LYS 59 C -0.0099 0.0022 -0.0008 885 LYS 59 O -0.0145 0.0050 0.0011 886 GLN 60 N -0.0125 -0.0030 0.0046 887 GLN 60 HN -0.0102 -0.0041 0.0036 888 GLN 60 CA -0.0136 -0.0039 0.0070 889 GLN 60 HA -0.0160 -0.0031 0.0087 890 GLN 60 CB -0.0113 -0.0070 0.0092 891 GLN 60 HB1 -0.0124 -0.0075 0.0111 892 GLN 60 HB2 -0.0089 -0.0078 0.0076 893 GLN 60 CG -0.0109 -0.0086 0.0111 894 GLN 60 HG1 -0.0098 -0.0108 0.0130 895 GLN 60 HG2 -0.0092 -0.0087 0.0092 896 GLN 60 CD -0.0140 -0.0074 0.0127 897 GLN 60 OE1 -0.0145 -0.0061 0.0114 898 GLN 60 NE2 -0.0161 -0.0079 0.0158 899 GLN 60 HE21 -0.0157 -0.0088 0.0167 900 GLN 60 HE22 -0.0180 -0.0072 0.0170 901 GLN 60 C -0.0135 -0.0026 0.0051 902 GLN 60 O -0.0114 -0.0024 0.0024 903 VAL 61 N -0.0126 0.0029 0.0070 904 VAL 61 HN -0.0132 0.0027 0.0074 905 VAL 61 CA -0.0116 0.0035 0.0065 906 VAL 61 HA -0.0114 0.0044 0.0065 907 VAL 61 CB -0.0119 0.0037 0.0067 908 VAL 61 HB -0.0122 0.0028 0.0068 909 VAL 61 CG1 -0.0109 0.0042 0.0061 910 VAL 61 HG11 -0.0105 0.0051 0.0059 911 VAL 61 HG12 -0.0111 0.0044 0.0063 912 VAL 61 HG13 -0.0102 0.0035 0.0055 913 VAL 61 CG2 -0.0128 0.0047 0.0074 914 VAL 61 HG21 -0.0129 0.0049 0.0075 915 VAL 61 HG22 -0.0125 0.0057 0.0073 916 VAL 61 HG23 -0.0136 0.0043 0.0078 917 VAL 61 C -0.0106 0.0028 0.0057 918 VAL 61 O -0.0106 0.0016 0.0055 919 TYR 62 N -0.0111 0.0049 0.0036 920 TYR 62 HN -0.0125 0.0074 0.0015 921 TYR 62 CA -0.0061 0.0036 0.0048 922 TYR 62 HA -0.0046 0.0014 0.0067 923 TYR 62 CB -0.0023 0.0073 0.0018 924 TYR 62 HB1 -0.0032 0.0092 0.0002 925 TYR 62 HB2 -0.0027 0.0090 0.0003 926 TYR 62 CG 0.0032 0.0059 0.0032 927 TYR 62 CD1 0.0060 0.0059 0.0032 928 TYR 62 HD1 0.0042 0.0069 0.0023 929 TYR 62 CE1 0.0111 0.0045 0.0045 930 TYR 62 HE1 0.0133 0.0044 0.0047 931 TYR 62 CZ 0.0134 0.0031 0.0058 932 TYR 62 OH 0.0185 0.0016 0.0072 933 TYR 62 HH 0.0189 -0.0004 0.0089 934 TYR 62 CD2 0.0057 0.0045 0.0044 935 TYR 62 HD2 0.0035 0.0045 0.0044 936 TYR 62 CE2 0.0107 0.0031 0.0057 937 TYR 62 HE2 0.0126 0.0019 0.0067 938 TYR 62 C -0.0070 0.0017 0.0064 939 TYR 62 O -0.0104 0.0026 0.0055 940 LEU 63 N 0.0032 0.0024 0.0094 941 LEU 63 HN 0.0031 0.0013 0.0092 942 LEU 63 CA 0.0041 0.0026 0.0086 943 LEU 63 HA 0.0042 0.0038 0.0088 944 LEU 63 CB 0.0038 0.0014 0.0086 945 LEU 63 HB1 0.0041 0.0003 0.0080 946 LEU 63 HB2 0.0028 0.0011 0.0094 947 LEU 63 CG 0.0044 0.0019 0.0082 948 LEU 63 HG 0.0053 0.0024 0.0074 949 LEU 63 CD1 0.0038 0.0032 0.0091 950 LEU 63 HD11 0.0028 0.0028 0.0099 951 LEU 63 HD12 0.0042 0.0036 0.0088 952 LEU 63 HD13 0.0038 0.0043 0.0093 953 LEU 63 CD2 0.0043 0.0005 0.0078 954 LEU 63 HD21 0.0046 0.0009 0.0076 955 LEU 63 HD22 0.0034 -0.0001 0.0086 956 LEU 63 HD23 0.0048 -0.0003 0.0071 957 LEU 63 C 0.0052 0.0025 0.0074 958 LEU 63 O 0.0054 0.0013 0.0070 959 SER 64 N -0.0003 0.0034 0.0060 960 SER 64 HN -0.0007 0.0034 0.0060 961 SER 64 CA 0.0001 0.0035 0.0060 962 SER 64 HA 0.0005 0.0036 0.0060 963 SER 64 CB 0.0000 0.0040 0.0056 964 SER 64 HB1 -0.0003 0.0039 0.0056 965 SER 64 HB2 -0.0001 0.0042 0.0054 966 SER 64 OG 0.0005 0.0042 0.0056 967 SER 64 HG1 0.0004 0.0041 0.0056 968 SER 64 C 0.0003 0.0033 0.0063 969 SER 64 O 0.0000 0.0030 0.0064 970 HIS 65 N -0.0017 -0.0044 0.0117 971 HIS 65 HN -0.0040 -0.0091 0.0125 972 HIS 65 CA 0.0000 -0.0008 0.0032 973 HIS 65 HA 0.0020 0.0034 0.0026 974 HIS 65 CB -0.0029 -0.0066 -0.0042 975 HIS 65 HB1 -0.0049 -0.0108 -0.0039 976 HIS 65 HB2 -0.0045 -0.0100 -0.0034 977 HIS 65 CD2 -0.0012 -0.0030 -0.0191 978 HIS 65 HD2 -0.0026 -0.0060 -0.0193 979 HIS 65 CG -0.0011 -0.0029 -0.0128 980 HIS 65 NE2 0.0010 0.0016 -0.0256 981 HIS 65 HE2 0.0016 0.0029 -0.0311 982 HIS 65 ND1 0.0012 0.0018 -0.0152 983 HIS 65 HD1 0.0017 0.0029 -0.0119 984 HIS 65 CE1 0.0024 0.0044 -0.0229 985 HIS 65 HE1 0.0044 0.0085 -0.0268 986 HIS 65 C 0.0022 0.0037 0.0024 987 HIS 65 O 0.0006 0.0003 0.0026 988 HIS 66 N 0.0021 0.0024 0.0054 989 HIS 66 HN 0.0017 -0.0015 0.0039 990 HIS 66 CA 0.0052 0.0076 0.0072 991 HIS 66 HA 0.0064 0.0056 0.0064 992 HIS 66 CB 0.0119 0.0098 0.0077 993 HIS 66 HB1 0.0143 0.0135 0.0090 994 HIS 66 HB2 0.0111 0.0118 0.0085 995 HIS 66 CD2 0.0218 0.0039 0.0047 996 HIS 66 HD2 0.0232 0.0067 0.0057 997 HIS 66 CG 0.0170 0.0048 0.0054 998 HIS 66 NE2 0.0251 -0.0014 0.0024 999 HIS 66 HE2 0.0292 -0.0030 0.0015 1000 HIS 66 ND1 0.0171 0.0002 0.0035 1001 HIS 66 HD1 0.0141 -0.0004 0.0035 1002 HIS 66 CE1 0.0221 -0.0034 0.0018 1003 HIS 66 HE1 0.0236 -0.0076 0.0001 1004 HIS 66 C 0.0004 0.0128 0.0096 1005 HIS 66 O -0.0053 0.0128 0.0099 1006 LEU 67 N -0.0043 0.0029 0.0077 1007 LEU 67 HN -0.0045 0.0014 0.0092 1008 LEU 67 CA -0.0040 0.0023 0.0057 1009 LEU 67 HA -0.0037 0.0029 0.0035 1010 LEU 67 CB -0.0039 -0.0010 0.0055 1011 LEU 67 HB1 -0.0042 -0.0017 0.0077 1012 LEU 67 HB2 -0.0039 -0.0022 0.0051 1013 LEU 67 CG -0.0036 -0.0020 0.0032 1014 LEU 67 HG -0.0037 -0.0013 0.0039 1015 LEU 67 CD1 -0.0032 -0.0006 0.0002 1016 LEU 67 HD11 -0.0032 0.0019 0.0002 1017 LEU 67 HD12 -0.0031 -0.0009 -0.0005 1018 LEU 67 HD13 -0.0029 -0.0016 -0.0015 1019 LEU 67 CD2 -0.0035 -0.0053 0.0028 1020 LEU 67 HD21 -0.0032 -0.0061 0.0012 1021 LEU 67 HD22 -0.0034 -0.0061 0.0021 1022 LEU 67 HD23 -0.0038 -0.0065 0.0050 1023 LEU 67 C -0.0041 0.0044 0.0062 1024 LEU 67 O -0.0044 0.0041 0.0083 1025 HIS 68 N -0.0071 0.0022 0.0141 1026 HIS 68 HN -0.0062 0.0033 0.0109 1027 HIS 68 CA -0.0070 0.0053 0.0135 1028 HIS 68 HA -0.0083 0.0071 0.0180 1029 HIS 68 CB -0.0056 0.0110 0.0091 1030 HIS 68 HB1 -0.0043 0.0093 0.0044 1031 HIS 68 HB2 -0.0061 0.0143 0.0106 1032 HIS 68 CD2 -0.0041 0.0171 0.0039 1033 HIS 68 HD2 -0.0027 0.0166 -0.0009 1034 HIS 68 CG -0.0055 0.0148 0.0088 1035 HIS 68 NE2 -0.0048 0.0202 0.0064 1036 HIS 68 HE2 -0.0041 0.0219 0.0041 1037 HIS 68 ND1 -0.0071 0.0164 0.0142 1038 HIS 68 HD1 -0.0084 0.0153 0.0184 1039 HIS 68 CE1 -0.0066 0.0196 0.0125 1040 HIS 68 HE1 -0.0075 0.0216 0.0155 1041 HIS 68 C -0.0065 0.0007 0.0118 1042 HIS 68 O -0.0054 -0.0038 0.0083 1043 GLY 69 N -0.0210 0.0050 0.0273 1044 GLY 69 HN -0.0221 0.0139 0.0327 1045 GLY 69 CA -0.0208 -0.0044 0.0247 1046 GLY 69 HA1 -0.0227 -0.0011 0.0313 1047 GLY 69 HA2 -0.0220 -0.0151 0.0263 1048 GLY 69 C -0.0164 -0.0038 0.0106 1049 GLY 69 O -0.0151 -0.0147 0.0042 1050 ASP 70 N -0.0080 0.0060 -0.0012 1051 ASP 70 HN -0.0042 0.0104 0.0040 1052 ASP 70 CA -0.0057 0.0079 -0.0112 1053 ASP 70 HA -0.0080 0.0051 -0.0171 1054 ASP 70 CB 0.0024 0.0167 -0.0129 1055 ASP 70 HB1 0.0041 0.0181 -0.0210 1056 ASP 70 HB2 0.0050 0.0198 -0.0076 1057 ASP 70 CG 0.0048 0.0194 -0.0108 1058 ASP 70 OD1 0.0030 0.0171 -0.0169 1059 ASP 70 OD2 0.0081 0.0235 -0.0026 1060 ASP 70 C -0.0082 0.0051 -0.0124 1061 ASP 70 O -0.0093 0.0043 -0.0049 1062 HIS 71 N -0.0122 0.0034 -0.0131 1063 HIS 71 HN -0.0120 0.0032 -0.0143 1064 HIS 71 CA -0.0119 0.0030 -0.0148 1065 HIS 71 HA -0.0124 0.0012 -0.0163 1066 HIS 71 CB -0.0101 0.0052 -0.0166 1067 HIS 71 HB1 -0.0098 0.0047 -0.0181 1068 HIS 71 HB2 -0.0095 0.0071 -0.0153 1069 HIS 71 CD2 -0.0082 0.0074 -0.0185 1070 HIS 71 HD2 -0.0076 0.0094 -0.0172 1071 HIS 71 CG -0.0093 0.0054 -0.0185 1072 HIS 71 NE2 -0.0079 0.0066 -0.0206 1073 HIS 71 HE2 -0.0072 0.0076 -0.0211 1074 HIS 71 ND1 -0.0098 0.0032 -0.0205 1075 HIS 71 HD1 -0.0106 0.0015 -0.0209 1076 HIS 71 CE1 -0.0089 0.0040 -0.0217 1077 HIS 71 HE1 -0.0090 0.0028 -0.0234 1078 HIS 71 C -0.0127 0.0025 -0.0132 1079 HIS 71 O -0.0119 0.0040 -0.0132 1080 SER 72 N -0.0054 -0.0013 -0.0059 1081 SER 72 HN -0.0057 -0.0024 -0.0048 1082 SER 72 CA -0.0055 -0.0020 -0.0056 1083 SER 72 HA -0.0051 -0.0010 -0.0072 1084 SER 72 CB -0.0063 -0.0010 -0.0027 1085 SER 72 HB1 -0.0063 -0.0015 -0.0027 1086 SER 72 HB2 -0.0068 -0.0022 -0.0010 1087 SER 72 OG -0.0066 0.0020 -0.0023 1088 SER 72 HG1 -0.0068 0.0022 -0.0018 1089 SER 72 C -0.0053 -0.0053 -0.0058 1090 SER 72 O -0.0054 -0.0062 -0.0051 1091 LEU 73 N -0.0005 -0.0096 -0.0039 1092 LEU 73 HN -0.0004 -0.0101 -0.0037 1093 LEU 73 CA 0.0004 -0.0103 -0.0040 1094 LEU 73 HA 0.0002 -0.0097 -0.0042 1095 LEU 73 CB 0.0000 -0.0119 -0.0032 1096 LEU 73 HB1 0.0006 -0.0124 -0.0033 1097 LEU 73 HB2 0.0005 -0.0127 -0.0032 1098 LEU 73 CG -0.0016 -0.0122 -0.0025 1099 LEU 73 HG -0.0022 -0.0118 -0.0024 1100 LEU 73 CD1 -0.0018 -0.0139 -0.0018 1101 LEU 73 HD11 -0.0030 -0.0140 -0.0012 1102 LEU 73 HD12 -0.0012 -0.0145 -0.0017 1103 LEU 73 HD13 -0.0013 -0.0143 -0.0018 1104 LEU 73 CD2 -0.0024 -0.0113 -0.0025 1105 LEU 73 HD21 -0.0024 -0.0100 -0.0030 1106 LEU 73 HD22 -0.0036 -0.0114 -0.0019 1107 LEU 73 HD23 -0.0019 -0.0116 -0.0026 1108 LEU 73 C 0.0021 -0.0104 -0.0047 1109 LEU 73 O 0.0025 -0.0108 -0.0047 1110 PHE 74 N 0.0015 -0.0043 0.0034 1111 PHE 74 HN 0.0020 -0.0045 0.0031 1112 PHE 74 CA 0.0028 -0.0043 0.0018 1113 PHE 74 HA 0.0021 -0.0041 0.0022 1114 PHE 74 CB 0.0026 -0.0029 -0.0009 1115 PHE 74 HB1 0.0038 -0.0029 -0.0022 1116 PHE 74 HB2 0.0031 -0.0030 -0.0013 1117 PHE 74 CG 0.0002 -0.0015 -0.0013 1118 PHE 74 CD1 -0.0014 -0.0008 -0.0009 1119 PHE 74 HD1 -0.0010 -0.0013 -0.0003 1120 PHE 74 CE1 -0.0037 0.0006 -0.0014 1121 PHE 74 HE1 -0.0049 0.0011 -0.0010 1122 PHE 74 CZ -0.0043 0.0014 -0.0022 1123 PHE 74 HZ -0.0060 0.0025 -0.0026 1124 PHE 74 CD2 -0.0004 -0.0007 -0.0021 1125 PHE 74 HD2 0.0008 -0.0012 -0.0024 1126 PHE 74 CE2 -0.0027 0.0007 -0.0026 1127 PHE 74 HE2 -0.0032 0.0013 -0.0032 1128 PHE 74 C 0.0054 -0.0057 0.0018 1129 PHE 74 O 0.0064 -0.0066 0.0027 1130 HIS 75 N 0.0033 -0.0047 0.0065 1131 HIS 75 HN 0.0037 -0.0044 0.0063 1132 HIS 75 CA 0.0036 -0.0053 0.0062 1133 HIS 75 HA 0.0032 -0.0056 0.0064 1134 HIS 75 CB 0.0039 -0.0060 0.0059 1135 HIS 75 HB1 0.0043 -0.0057 0.0056 1136 HIS 75 HB2 0.0035 -0.0062 0.0061 1137 HIS 75 CD2 0.0042 -0.0068 0.0055 1138 HIS 75 HD2 0.0041 -0.0065 0.0057 1139 HIS 75 CG 0.0042 -0.0066 0.0056 1140 HIS 75 NE2 0.0046 -0.0075 0.0052 1141 HIS 75 HE2 0.0047 -0.0077 0.0051 1142 HIS 75 ND1 0.0044 -0.0072 0.0053 1143 HIS 75 HD1 0.0045 -0.0072 0.0053 1144 HIS 75 CE1 0.0047 -0.0077 0.0051 1145 HIS 75 HE1 0.0049 -0.0082 0.0048 1146 HIS 75 C 0.0041 -0.0049 0.0059 1147 HIS 75 O 0.0046 -0.0045 0.0056 1148 LEU 76 N 0.0025 -0.0048 0.0080 1149 LEU 76 HN 0.0022 -0.0049 0.0080 1150 LEU 76 CA 0.0023 -0.0049 0.0085 1151 LEU 76 HA 0.0026 -0.0049 0.0087 1152 LEU 76 CB 0.0019 -0.0050 0.0090 1153 LEU 76 HB1 0.0018 -0.0051 0.0094 1154 LEU 76 HB2 0.0015 -0.0051 0.0088 1155 LEU 76 CG 0.0023 -0.0050 0.0094 1156 LEU 76 HG 0.0024 -0.0050 0.0090 1157 LEU 76 CD1 0.0018 -0.0051 0.0098 1158 LEU 76 HD11 0.0016 -0.0052 0.0102 1159 LEU 76 HD12 0.0021 -0.0051 0.0101 1160 LEU 76 HD13 0.0014 -0.0051 0.0096 1161 LEU 76 CD2 0.0028 -0.0050 0.0097 1162 LEU 76 HD21 0.0032 -0.0049 0.0094 1163 LEU 76 HD22 0.0031 -0.0050 0.0100 1164 LEU 76 HD23 0.0027 -0.0050 0.0101 1165 LEU 76 C 0.0018 -0.0049 0.0081 1166 LEU 76 O 0.0013 -0.0050 0.0079 1167 GLU 77 N -0.0003 -0.0082 0.0101 1168 GLU 77 HN 0.0010 -0.0066 0.0104 1169 GLU 77 CA -0.0008 -0.0096 0.0075 1170 GLU 77 HA -0.0021 -0.0112 0.0072 1171 GLU 77 CB 0.0008 -0.0086 0.0048 1172 GLU 77 HB1 0.0003 -0.0097 0.0030 1173 GLU 77 HB2 0.0022 -0.0069 0.0050 1174 GLU 77 CG 0.0013 -0.0082 0.0043 1175 GLU 77 HG1 0.0022 -0.0067 0.0057 1176 GLU 77 HG2 -0.0001 -0.0096 0.0049 1177 GLU 77 CD 0.0022 -0.0081 0.0013 1178 GLU 77 OE1 0.0039 -0.0064 0.0002 1179 GLU 77 OE2 0.0013 -0.0095 -0.0000 1180 GLU 77 C -0.0014 -0.0101 0.0080 1181 GLU 77 O -0.0001 -0.0086 0.0083 1182 HIS 78 N -0.0049 -0.0122 0.0102 1183 HIS 78 HN -0.0063 -0.0134 0.0091 1184 HIS 78 CA -0.0057 -0.0115 0.0121 1185 HIS 78 HA -0.0043 -0.0101 0.0135 1186 HIS 78 CB -0.0087 -0.0118 0.0136 1187 HIS 78 HB1 -0.0096 -0.0116 0.0146 1188 HIS 78 HB2 -0.0101 -0.0132 0.0122 1189 HIS 78 CD2 -0.0099 -0.0110 0.0158 1190 HIS 78 HD2 -0.0105 -0.0121 0.0143 1191 HIS 78 CG -0.0090 -0.0107 0.0157 1192 HIS 78 NE2 -0.0099 -0.0095 0.0183 1193 HIS 78 HE2 -0.0104 -0.0094 0.0189 1194 HIS 78 ND1 -0.0085 -0.0090 0.0182 1195 HIS 78 HD1 -0.0078 -0.0084 0.0188 1196 HIS 78 CE1 -0.0090 -0.0084 0.0197 1197 HIS 78 HE1 -0.0087 -0.0071 0.0217 1198 HIS 78 C -0.0055 -0.0122 0.0107 1199 HIS 78 O -0.0066 -0.0137 0.0088 1200 HIS 79 N -0.0092 -0.0069 0.0233 1201 HIS 79 HN -0.0093 -0.0013 0.0247 1202 HIS 79 CA -0.0045 -0.0096 0.0193 1203 HIS 79 HA -0.0060 -0.0154 0.0191 1204 HIS 79 CB 0.0022 -0.0091 0.0145 1205 HIS 79 HB1 0.0058 -0.0103 0.0116 1206 HIS 79 HB2 0.0035 -0.0034 0.0148 1207 HIS 79 CD2 0.0042 -0.0136 0.0120 1208 HIS 79 HD2 0.0049 -0.0084 0.0127 1209 HIS 79 CG 0.0027 -0.0148 0.0128 1210 HIS 79 NE2 0.0049 -0.0207 0.0098 1211 HIS 79 HE2 0.0060 -0.0219 0.0087 1212 HIS 79 ND1 0.0026 -0.0224 0.0112 1213 HIS 79 HD1 0.0017 -0.0248 0.0112 1214 HIS 79 CE1 0.0039 -0.0257 0.0094 1215 HIS 79 HE1 0.0041 -0.0318 0.0078 1216 HIS 79 C -0.0034 -0.0045 0.0196 1217 HIS 79 O -0.0013 0.0023 0.0197 1218 GLY 80 N 0.0035 0.0006 0.0267 1219 GLY 80 HN 0.0069 0.0031 0.0297 1220 GLY 80 CA 0.0053 -0.0014 0.0208 1221 GLY 80 HA1 0.0018 -0.0026 0.0208 1222 GLY 80 HA2 0.0104 0.0003 0.0207 1223 GLY 80 C 0.0051 -0.0042 0.0147 1224 GLY 80 O 0.0081 -0.0036 0.0140 1225 GLY 81 N 0.0047 -0.0073 0.0065 1226 GLY 81 HN 0.0024 -0.0077 0.0031 1227 GLY 81 CA 0.0042 -0.0076 0.0055 1228 GLY 81 HA1 0.0031 -0.0097 0.0007 1229 GLY 81 HA2 0.0082 -0.0091 0.0080 1230 GLY 81 C -0.0004 -0.0029 0.0077 1231 GLY 81 O -0.0007 -0.0025 0.0080 1232 LYS 82 N -0.0029 -0.0067 0.0090 1233 LYS 82 HN -0.0059 -0.0043 0.0088 1234 LYS 82 CA -0.0044 -0.0013 0.0101 1235 LYS 82 HA -0.0040 -0.0056 0.0090 1236 LYS 82 CB -0.0138 0.0035 0.0087 1237 LYS 82 HB1 -0.0148 0.0078 0.0096 1238 LYS 82 HB2 -0.0143 0.0078 0.0097 1239 LYS 82 CG -0.0211 -0.0028 0.0047 1240 LYS 82 HG1 -0.0198 -0.0076 0.0037 1241 LYS 82 HG2 -0.0209 -0.0068 0.0036 1242 LYS 82 CD -0.0303 0.0019 0.0033 1243 LYS 82 HD1 -0.0321 0.0062 0.0040 1244 LYS 82 HD2 -0.0299 0.0062 0.0046 1245 LYS 82 CE -0.0374 -0.0045 -0.0007 1246 LYS 82 HE1 -0.0438 -0.0007 -0.0015 1247 LYS 82 HE2 -0.0357 -0.0086 -0.0013 1248 LYS 82 NZ -0.0385 -0.0105 -0.0027 1249 LYS 82 HZ1 -0.0398 -0.0070 -0.0021 1250 LYS 82 HZ2 -0.0328 -0.0148 -0.0022 1251 LYS 82 HZ3 -0.0436 -0.0146 -0.0053 1252 LYS 82 C 0.0024 0.0055 0.0140 1253 LYS 82 O 0.0054 0.0093 0.0160 1254 VAL 83 N -0.0002 -0.0017 0.0097 1255 VAL 83 HN -0.0001 -0.0009 0.0096 1256 VAL 83 CA -0.0003 -0.0014 0.0107 1257 VAL 83 HA -0.0003 -0.0022 0.0105 1258 VAL 83 CB -0.0005 -0.0017 0.0123 1259 VAL 83 HB -0.0005 -0.0029 0.0124 1260 VAL 83 CG1 -0.0005 -0.0006 0.0129 1261 VAL 83 HG11 -0.0006 -0.0009 0.0140 1262 VAL 83 HG12 -0.0004 -0.0007 0.0121 1263 VAL 83 HG13 -0.0004 0.0005 0.0129 1264 VAL 83 CG2 -0.0006 -0.0016 0.0133 1265 VAL 83 HG21 -0.0007 -0.0020 0.0145 1266 VAL 83 HG22 -0.0005 -0.0005 0.0134 1267 VAL 83 HG23 -0.0006 -0.0024 0.0129 1268 VAL 83 C -0.0002 0.0001 0.0105 1269 VAL 83 O -0.0001 0.0012 0.0103 1270 SER 84 N -0.0001 -0.0014 0.0074 1271 SER 84 HN -0.0010 -0.0024 0.0069 1272 SER 84 CA 0.0016 0.0010 0.0064 1273 SER 84 HA 0.0025 0.0019 0.0071 1274 SER 84 CB 0.0012 0.0015 0.0031 1275 SER 84 HB1 0.0003 0.0006 0.0023 1276 SER 84 HB2 0.0005 0.0008 0.0024 1277 SER 84 OG 0.0028 0.0038 0.0022 1278 SER 84 HG1 0.0025 0.0040 0.0001 1279 SER 84 C 0.0024 0.0017 0.0076 1280 SER 84 O 0.0015 0.0004 0.0080 1281 ILE 85 N 0.0024 0.0009 0.0045 1282 ILE 85 HN 0.0027 0.0014 0.0042 1283 ILE 85 CA 0.0028 0.0013 0.0053 1284 ILE 85 HA 0.0024 0.0007 0.0056 1285 ILE 85 CB 0.0034 0.0017 0.0065 1286 ILE 85 HB 0.0038 0.0024 0.0061 1287 ILE 85 CG2 0.0038 0.0020 0.0074 1288 ILE 85 HG21 0.0041 0.0022 0.0083 1289 ILE 85 HG22 0.0042 0.0026 0.0070 1290 ILE 85 HG23 0.0033 0.0013 0.0077 1291 ILE 85 CG1 0.0029 0.0009 0.0071 1292 ILE 85 HG11 0.0033 0.0012 0.0079 1293 ILE 85 HG12 0.0027 0.0008 0.0064 1294 ILE 85 CD 0.0022 -0.0002 0.0076 1295 ILE 85 HD1 0.0018 -0.0007 0.0079 1296 ILE 85 HD2 0.0024 -0.0001 0.0084 1297 ILE 85 HD3 0.0018 -0.0005 0.0068 1298 ILE 85 C 0.0034 0.0022 0.0046 1299 ILE 85 O 0.0039 0.0030 0.0041 1300 LYS 86 N 0.0028 0.0013 0.0017 1301 LYS 86 HN 0.0029 0.0002 0.0023 1302 LYS 86 CA 0.0027 0.0023 0.0018 1303 LYS 86 HA 0.0026 0.0036 0.0014 1304 LYS 86 CB 0.0028 0.0017 0.0008 1305 LYS 86 HB1 0.0029 0.0015 -0.0005 1306 LYS 86 HB2 0.0028 0.0026 0.0007 1307 LYS 86 CG 0.0030 0.0001 0.0014 1308 LYS 86 HG1 0.0029 0.0002 0.0026 1309 LYS 86 HG2 0.0030 -0.0009 0.0015 1310 LYS 86 CD 0.0031 -0.0005 0.0001 1311 LYS 86 HD1 0.0032 -0.0008 -0.0010 1312 LYS 86 HD2 0.0030 0.0005 -0.0001 1313 LYS 86 CE 0.0032 -0.0020 0.0006 1314 LYS 86 HE1 0.0031 -0.0018 0.0017 1315 LYS 86 HE2 0.0033 -0.0030 0.0009 1316 LYS 86 NZ 0.0033 -0.0026 -0.0008 1317 LYS 86 HZ1 0.0033 -0.0017 -0.0016 1318 LYS 86 HZ2 0.0035 -0.0035 -0.0014 1319 LYS 86 HZ3 0.0034 -0.0032 -0.0004 1320 LYS 86 C 0.0026 0.0025 0.0036 1321 LYS 86 O 0.0026 0.0016 0.0047 1322 GLY 87 N -0.0008 0.0018 -0.0025 1323 GLY 87 HN -0.0003 0.0015 -0.0022 1324 GLY 87 CA -0.0011 0.0014 -0.0032 1325 GLY 87 HA1 -0.0009 0.0012 -0.0031 1326 GLY 87 HA2 -0.0016 0.0018 -0.0034 1327 GLY 87 C -0.0010 0.0009 -0.0036 1328 GLY 87 O -0.0008 0.0009 -0.0033 1329 HIS 88 N -0.0022 0.0004 -0.0100 1330 HIS 88 HN -0.0022 -0.0001 -0.0110 1331 HIS 88 CA -0.0022 0.0005 -0.0092 1332 HIS 88 HA -0.0017 0.0015 -0.0087 1333 HIS 88 CB -0.0022 0.0002 -0.0103 1334 HIS 88 HB1 -0.0027 -0.0008 -0.0107 1335 HIS 88 HB2 -0.0016 0.0008 -0.0112 1336 HIS 88 CD2 -0.0024 0.0001 -0.0096 1337 HIS 88 HD2 -0.0029 -0.0009 -0.0101 1338 HIS 88 CG -0.0021 0.0007 -0.0096 1339 HIS 88 NE2 -0.0021 0.0009 -0.0087 1340 HIS 88 HE2 -0.0023 0.0007 -0.0084 1341 HIS 88 ND1 -0.0015 0.0019 -0.0087 1342 HIS 88 HD1 -0.0012 0.0026 -0.0085 1343 HIS 88 CE1 -0.0016 0.0020 -0.0082 1344 HIS 88 HE1 -0.0013 0.0028 -0.0075 1345 HIS 88 C -0.0030 -0.0003 -0.0078 1346 HIS 88 O -0.0036 -0.0013 -0.0078 1347 HIS 89 N -0.0044 0.0003 -0.0065 1348 HIS 89 HN -0.0026 0.0001 -0.0048 1349 HIS 89 CA -0.0043 -0.0027 -0.0011 1350 HIS 89 HA -0.0031 -0.0050 0.0036 1351 HIS 89 CB -0.0117 -0.0056 -0.0011 1352 HIS 89 HB1 -0.0114 -0.0080 0.0034 1353 HIS 89 HB2 -0.0133 -0.0035 -0.0057 1354 HIS 89 CD2 -0.0241 -0.0079 -0.0053 1355 HIS 89 HD2 -0.0261 -0.0059 -0.0101 1356 HIS 89 CG -0.0177 -0.0080 -0.0009 1357 HIS 89 NE2 -0.0277 -0.0110 -0.0024 1358 HIS 89 HE2 -0.0328 -0.0119 -0.0041 1359 HIS 89 ND1 -0.0173 -0.0111 0.0047 1360 HIS 89 HD1 -0.0133 -0.0119 0.0087 1361 HIS 89 CE1 -0.0234 -0.0128 0.0036 1362 HIS 89 HE1 -0.0250 -0.0154 0.0072 1363 HIS 89 C 0.0018 -0.0005 -0.0010 1364 HIS 89 O 0.0024 -0.0024 0.0028 1365 HIS 90 N 0.0011 0.0026 -0.0009 1366 HIS 90 HN 0.0010 0.0029 -0.0017 1367 HIS 90 CA 0.0026 0.0032 -0.0011 1368 HIS 90 HA 0.0033 0.0038 -0.0018 1369 HIS 90 CB 0.0038 0.0029 0.0006 1370 HIS 90 HB1 0.0048 0.0033 0.0005 1371 HIS 90 HB2 0.0031 0.0021 0.0016 1372 HIS 90 CD2 0.0040 0.0024 0.0017 1373 HIS 90 HD2 0.0027 0.0019 0.0018 1374 HIS 90 CG 0.0047 0.0029 0.0012 1375 HIS 90 NE2 0.0053 0.0027 0.0021 1376 HIS 90 HE2 0.0052 0.0025 0.0025 1377 HIS 90 ND1 0.0064 0.0035 0.0013 1378 HIS 90 HD1 0.0073 0.0039 0.0012 1379 HIS 90 CE1 0.0068 0.0033 0.0019 1380 HIS 90 HE1 0.0080 0.0037 0.0021 1381 HIS 90 C 0.0022 0.0036 -0.0021 1382 HIS 90 O 0.0034 0.0040 -0.0021 1383 HIS 91 N -0.0004 0.0031 -0.0038 1384 HIS 91 HN -0.0021 0.0023 -0.0043 1385 HIS 91 CA -0.0002 0.0041 -0.0044 1386 HIS 91 HA 0.0014 0.0038 -0.0033 1387 HIS 91 CB -0.0024 0.0028 -0.0048 1388 HIS 91 HB1 -0.0022 0.0035 -0.0051 1389 HIS 91 HB2 -0.0041 0.0031 -0.0059 1390 HIS 91 CD2 -0.0045 -0.0016 -0.0031 1391 HIS 91 HD2 -0.0063 -0.0017 -0.0041 1392 HIS 91 CG -0.0027 0.0003 -0.0033 1393 HIS 91 NE2 -0.0037 -0.0035 -0.0013 1394 HIS 91 HE2 -0.0045 -0.0052 -0.0007 1395 HIS 91 ND1 -0.0007 -0.0004 -0.0017 1396 HIS 91 HD1 0.0010 0.0006 -0.0014 1397 HIS 91 CE1 -0.0013 -0.0027 -0.0005 1398 HIS 91 HE1 -0.0002 -0.0038 0.0009 1399 HIS 91 C 0.0000 0.0066 -0.0059 1400 HIS 91 O -0.0009 0.0076 -0.0071 1401 TYR 92 N 0.0024 0.0083 -0.0028 1402 TYR 92 HN 0.0027 0.0086 -0.0032 1403 TYR 92 CA 0.0026 0.0084 -0.0030 1404 TYR 92 HA 0.0024 0.0079 -0.0026 1405 TYR 92 CB 0.0033 0.0082 -0.0040 1406 TYR 92 HB1 0.0035 0.0084 -0.0042 1407 TYR 92 HB2 0.0036 0.0086 -0.0044 1408 TYR 92 CG 0.0036 0.0070 -0.0040 1409 TYR 92 CD1 0.0037 0.0065 -0.0041 1410 TYR 92 HD1 0.0036 0.0070 -0.0041 1411 TYR 92 CE1 0.0040 0.0055 -0.0041 1412 TYR 92 HE1 0.0041 0.0051 -0.0041 1413 TYR 92 CZ 0.0041 0.0049 -0.0041 1414 TYR 92 OH 0.0043 0.0038 -0.0041 1415 TYR 92 HH 0.0043 0.0035 -0.0040 1416 TYR 92 CD2 0.0037 0.0064 -0.0040 1417 TYR 92 HD2 0.0036 0.0068 -0.0040 1418 TYR 92 CE2 0.0039 0.0054 -0.0040 1419 TYR 92 HE2 0.0040 0.0049 -0.0040 1420 TYR 92 C 0.0023 0.0095 -0.0030 1421 TYR 92 O 0.0024 0.0103 -0.0032 1422 ILE 93 N -0.0013 0.0049 0.0016 1423 ILE 93 HN -0.0018 0.0047 0.0016 1424 ILE 93 CA -0.0011 0.0053 0.0022 1425 ILE 93 HA -0.0007 0.0054 0.0021 1426 ILE 93 CB -0.0018 0.0054 0.0027 1427 ILE 93 HB -0.0022 0.0053 0.0028 1428 ILE 93 CG2 -0.0022 0.0050 0.0023 1429 ILE 93 HG21 -0.0027 0.0050 0.0026 1430 ILE 93 HG22 -0.0018 0.0050 0.0021 1431 ILE 93 HG23 -0.0024 0.0047 0.0018 1432 ILE 93 CG1 -0.0016 0.0058 0.0034 1433 ILE 93 HG11 -0.0013 0.0059 0.0033 1434 ILE 93 HG12 -0.0012 0.0061 0.0036 1435 ILE 93 CD -0.0023 0.0059 0.0039 1436 ILE 93 HD1 -0.0026 0.0059 0.0040 1437 ILE 93 HD2 -0.0021 0.0063 0.0044 1438 ILE 93 HD3 -0.0027 0.0057 0.0037 1439 ILE 93 C -0.0007 0.0056 0.0026 1440 ILE 93 O -0.0010 0.0056 0.0027 1441 SER 94 N 0.0012 0.0044 0.0045 1442 SER 94 HN 0.0014 0.0050 0.0048 1443 SER 94 CA 0.0021 0.0051 0.0038 1444 SER 94 HA 0.0018 0.0044 0.0034 1445 SER 94 CB 0.0033 0.0056 0.0025 1446 SER 94 HB1 0.0037 0.0065 0.0029 1447 SER 94 HB2 0.0030 0.0046 0.0017 1448 SER 94 OG 0.0041 0.0059 0.0015 1449 SER 94 HG1 0.0044 0.0068 0.0021 1450 SER 94 C 0.0024 0.0064 0.0050 1451 SER 94 O 0.0026 0.0073 0.0058 1452 ALA 95 N 0.0063 -0.0037 0.0015 1453 ALA 95 HN 0.0068 -0.0044 0.0009 1454 ALA 95 CA 0.0061 -0.0025 0.0013 1455 ALA 95 HA 0.0055 -0.0018 0.0021 1456 ALA 95 CB 0.0062 -0.0029 0.0013 1457 ALA 95 HB1 0.0069 -0.0035 0.0005 1458 ALA 95 HB2 0.0061 -0.0020 0.0012 1459 ALA 95 HB3 0.0058 -0.0036 0.0021 1460 ALA 95 C 0.0067 -0.0015 0.0002 1461 ALA 95 O 0.0074 -0.0021 -0.0008 1462 ASP 96 N 0.0059 -0.0098 0.0005 1463 ASP 96 HN 0.0019 -0.0093 0.0014 1464 ASP 96 CA 0.0069 -0.0073 -0.0024 1465 ASP 96 HA 0.0101 -0.0091 -0.0017 1466 ASP 96 CB 0.0011 -0.0058 -0.0018 1467 ASP 96 HB1 0.0016 -0.0037 -0.0041 1468 ASP 96 HB2 -0.0023 -0.0039 -0.0024 1469 ASP 96 CG -0.0010 -0.0096 0.0027 1470 ASP 96 OD1 -0.0060 -0.0088 0.0036 1471 ASP 96 OD2 0.0023 -0.0133 0.0052 1472 ASP 96 C 0.0090 -0.0034 -0.0069 1473 ASP 96 O 0.0090 -0.0026 -0.0077 1474 HIS 97 N 0.0229 -0.0031 -0.0215 1475 HIS 97 HN 0.0303 -0.0051 -0.0253 1476 HIS 97 CA 0.0238 0.0081 -0.0188 1477 HIS 97 HA 0.0204 0.0053 -0.0181 1478 HIS 97 CB 0.0369 0.0142 -0.0225 1479 HIS 97 HB1 0.0373 0.0225 -0.0203 1480 HIS 97 HB2 0.0406 0.0175 -0.0232 1481 HIS 97 CD2 0.0469 0.0024 -0.0301 1482 HIS 97 HD2 0.0427 0.0054 -0.0275 1483 HIS 97 CG 0.0450 0.0054 -0.0285 1484 HIS 97 NE2 0.0554 -0.0060 -0.0361 1485 HIS 97 HE2 0.0575 -0.0115 -0.0386 1486 HIS 97 ND1 0.0523 -0.0006 -0.0333 1487 HIS 97 HD1 0.0529 0.0001 -0.0333 1488 HIS 97 CE1 0.0583 -0.0074 -0.0378 1489 HIS 97 HE1 0.0648 -0.0137 -0.0423 1490 HIS 97 C 0.0164 0.0182 -0.0127 1491 HIS 97 O 0.0130 0.0260 -0.0091 1492 HIS 98 N 0.0121 0.0006 -0.0268 1493 HIS 98 HN 0.0102 0.0028 -0.0227 1494 HIS 98 CA 0.0056 0.0105 -0.0202 1495 HIS 98 HA 0.0090 0.0032 -0.0171 1496 HIS 98 CB 0.0004 0.0242 -0.0338 1497 HIS 98 HB1 -0.0031 0.0316 -0.0373 1498 HIS 98 HB2 0.0052 0.0192 -0.0460 1499 HIS 98 CD2 -0.0153 0.0504 -0.0263 1500 HIS 98 HD2 -0.0196 0.0593 -0.0296 1501 HIS 98 CG -0.0064 0.0347 -0.0275 1502 HIS 98 NE2 -0.0180 0.0534 -0.0196 1503 HIS 98 HE2 -0.0242 0.0639 -0.0173 1504 HIS 98 ND1 -0.0037 0.0278 -0.0216 1505 HIS 98 HD1 0.0025 0.0163 -0.0208 1506 HIS 98 CE1 -0.0108 0.0394 -0.0170 1507 HIS 98 HE1 -0.0108 0.0380 -0.0122 1508 HIS 98 C -0.0010 0.0171 -0.0032 1509 HIS 98 O -0.0023 0.0185 0.0002 1510 GLY 99 N -0.0232 -0.0005 -0.0096 1511 GLY 99 HN -0.0222 0.0053 -0.0178 1512 GLY 99 CA -0.0340 -0.0063 -0.0054 1513 GLY 99 HA1 -0.0385 -0.0112 0.0001 1514 GLY 99 HA2 -0.0408 -0.0032 -0.0128 1515 GLY 99 C -0.0300 -0.0097 0.0013 1516 GLY 99 O -0.0191 -0.0068 0.0014 1517 HIS 100 N -0.0276 -0.0087 0.0040 1518 HIS 100 HN -0.0327 -0.0106 0.0039 1519 HIS 100 CA -0.0263 -0.0103 0.0078 1520 HIS 100 HA -0.0251 -0.0078 0.0041 1521 HIS 100 CB -0.0333 -0.0146 0.0104 1522 HIS 100 HB1 -0.0324 -0.0157 0.0131 1523 HIS 100 HB2 -0.0347 -0.0172 0.0141 1524 HIS 100 CD2 -0.0408 -0.0110 -0.0010 1525 HIS 100 HD2 -0.0367 -0.0082 -0.0032 1526 HIS 100 CG -0.0399 -0.0140 0.0049 1527 HIS 100 NE2 -0.0481 -0.0122 -0.0039 1528 HIS 100 HE2 -0.0507 -0.0109 -0.0081 1529 HIS 100 ND1 -0.0465 -0.0170 0.0057 1530 HIS 100 HD1 -0.0475 -0.0196 0.0096 1531 HIS 100 CE1 -0.0513 -0.0159 0.0004 1532 HIS 100 HE1 -0.0572 -0.0177 -0.0005 1533 HIS 100 C -0.0201 -0.0115 0.0141 1534 HIS 100 O -0.0194 -0.0138 0.0187 1535 VAL 101 N -0.0124 -0.0036 0.0098 1536 VAL 101 HN -0.0114 -0.0036 0.0082 1537 VAL 101 CA -0.0108 -0.0022 0.0121 1538 VAL 101 HA -0.0112 -0.0022 0.0128 1539 VAL 101 CB -0.0079 -0.0013 0.0111 1540 VAL 101 HB -0.0076 -0.0015 0.0100 1541 VAL 101 CG1 -0.0060 0.0002 0.0134 1542 VAL 101 HG11 -0.0065 0.0005 0.0149 1543 VAL 101 HG12 -0.0062 0.0005 0.0144 1544 VAL 101 HG13 -0.0039 0.0008 0.0124 1545 VAL 101 CG2 -0.0071 -0.0016 0.0089 1546 VAL 101 HG21 -0.0074 -0.0014 0.0099 1547 VAL 101 HG22 -0.0083 -0.0026 0.0072 1548 VAL 101 HG23 -0.0050 -0.0009 0.0081 1549 VAL 101 C -0.0117 -0.0019 0.0146 1550 VAL 101 O -0.0126 -0.0024 0.0142 1551 SER 102 N -0.0073 0.0031 0.0094 1552 SER 102 HN -0.0075 0.0040 0.0105 1553 SER 102 CA -0.0069 0.0017 0.0079 1554 SER 102 HA -0.0071 0.0011 0.0065 1555 SER 102 CB -0.0051 0.0001 0.0088 1556 SER 102 HB1 -0.0044 -0.0004 0.0095 1557 SER 102 HB2 -0.0048 -0.0010 0.0076 1558 SER 102 OG -0.0048 0.0006 0.0106 1559 SER 102 HG1 -0.0045 0.0011 0.0119 1560 SER 102 C -0.0079 0.0025 0.0070 1561 SER 102 O -0.0093 0.0040 0.0067 1562 THR 103 N -0.0059 0.0050 -0.0009 1563 THR 103 HN -0.0041 0.0031 -0.0001 1564 THR 103 CA -0.0070 0.0054 -0.0022 1565 THR 103 HA -0.0081 0.0079 -0.0011 1566 THR 103 CB -0.0087 0.0045 -0.0060 1567 THR 103 HB -0.0102 0.0060 -0.0068 1568 THR 103 OG1 -0.0099 0.0052 -0.0072 1569 THR 103 HG1 -0.0112 0.0051 -0.0095 1570 THR 103 CG2 -0.0072 0.0009 -0.0076 1571 THR 103 HG21 -0.0085 0.0004 -0.0103 1572 THR 103 HG22 -0.0063 0.0003 -0.0067 1573 THR 103 HG23 -0.0058 -0.0006 -0.0070 1574 THR 103 C -0.0048 0.0034 -0.0009 1575 THR 103 O -0.0028 0.0008 -0.0004 1576 LYS 104 N -0.0005 0.0064 -0.0051 1577 LYS 104 HN -0.0004 0.0060 -0.0050 1578 LYS 104 CA 0.0013 0.0050 -0.0052 1579 LYS 104 HA 0.0003 0.0045 -0.0047 1580 LYS 104 CB 0.0035 0.0066 -0.0063 1581 LYS 104 HB1 0.0026 0.0083 -0.0065 1582 LYS 104 HB2 0.0047 0.0056 -0.0063 1583 LYS 104 CG 0.0054 0.0074 -0.0070 1584 LYS 104 HG1 0.0066 0.0058 -0.0069 1585 LYS 104 HG2 0.0042 0.0082 -0.0069 1586 LYS 104 CD 0.0071 0.0095 -0.0081 1587 LYS 104 HD1 0.0059 0.0113 -0.0083 1588 LYS 104 HD2 0.0080 0.0088 -0.0082 1589 LYS 104 CE 0.0092 0.0101 -0.0089 1590 LYS 104 HE1 0.0103 0.0083 -0.0087 1591 LYS 104 HE2 0.0083 0.0109 -0.0088 1592 LYS 104 NZ 0.0110 0.0119 -0.0099 1593 LYS 104 HZ1 0.0127 0.0115 -0.0103 1594 LYS 104 HZ2 0.0113 0.0118 -0.0100 1595 LYS 104 HZ3 0.0105 0.0138 -0.0103 1596 LYS 104 C 0.0023 0.0025 -0.0047 1597 LYS 104 O 0.0021 0.0021 -0.0045 1598 GLU 105 N -0.0018 0.0044 -0.0101 1599 GLU 105 HN -0.0049 0.0034 -0.0094 1600 GLU 105 CA 0.0028 0.0026 -0.0052 1601 GLU 105 HA 0.0040 0.0029 -0.0052 1602 GLU 105 CB 0.0002 -0.0013 0.0007 1603 GLU 105 HB1 -0.0011 -0.0016 0.0009 1604 GLU 105 HB2 -0.0045 -0.0023 0.0009 1605 GLU 105 CG 0.0049 -0.0033 0.0061 1606 GLU 105 HG1 0.0063 -0.0029 0.0059 1607 GLU 105 HG2 0.0094 -0.0025 0.0064 1608 GLU 105 CD 0.0018 -0.0071 0.0118 1609 GLU 105 OE1 -0.0010 -0.0089 0.0140 1610 GLU 105 OE2 0.0022 -0.0083 0.0140 1611 GLU 105 C 0.0091 0.0042 -0.0058 1612 GLU 105 O 0.0089 0.0050 -0.0072 1613 HIS 106 N 0.0037 0.0050 -0.0043 1614 HIS 106 HN 0.0050 0.0045 -0.0018 1615 HIS 106 CA 0.0116 0.0061 -0.0057 1616 HIS 106 HA 0.0167 0.0055 -0.0015 1617 HIS 106 CB 0.0109 0.0053 -0.0026 1618 HIS 106 HB1 0.0175 0.0061 -0.0034 1619 HIS 106 HB2 0.0059 0.0058 -0.0066 1620 HIS 106 CD2 0.0014 0.0010 0.0107 1621 HIS 106 HD2 -0.0045 0.0012 0.0079 1622 HIS 106 CG 0.0087 0.0027 0.0069 1623 HIS 106 NE2 0.0025 -0.0011 0.0196 1624 HIS 106 HE2 -0.0024 -0.0026 0.0240 1625 HIS 106 ND1 0.0146 0.0017 0.0130 1626 HIS 106 HD1 0.0205 0.0025 0.0121 1627 HIS 106 CE1 0.0106 -0.0006 0.0206 1628 HIS 106 HE1 0.0132 -0.0019 0.0269 1629 HIS 106 C 0.0155 0.0087 -0.0148 1630 HIS 106 O 0.0108 0.0100 -0.0214 1631 HIS 107 N 0.0072 0.0120 -0.0153 1632 HIS 107 HN 0.0055 0.0126 -0.0177 1633 HIS 107 CA 0.0050 0.0109 -0.0117 1634 HIS 107 HA 0.0063 0.0105 -0.0102 1635 HIS 107 CB 0.0005 0.0110 -0.0126 1636 HIS 107 HB1 -0.0008 0.0115 -0.0146 1637 HIS 107 HB2 0.0003 0.0114 -0.0140 1638 HIS 107 CD2 -0.0047 0.0095 -0.0077 1639 HIS 107 HD2 -0.0054 0.0098 -0.0089 1640 HIS 107 CG -0.0021 0.0099 -0.0091 1641 HIS 107 NE2 -0.0062 0.0085 -0.0043 1642 HIS 107 HE2 -0.0079 0.0079 -0.0024 1643 HIS 107 ND1 -0.0021 0.0092 -0.0065 1644 HIS 107 HD1 -0.0005 0.0094 -0.0068 1645 HIS 107 CE1 -0.0045 0.0084 -0.0037 1646 HIS 107 HE1 -0.0051 0.0076 -0.0011 1647 HIS 107 C 0.0051 0.0102 -0.0090 1648 HIS 107 O 0.0050 0.0105 -0.0103 1649 ASP 108 N 0.0026 0.0121 -0.0155 1650 ASP 108 HN 0.0026 0.0116 -0.0135 1651 ASP 108 CA 0.0031 0.0120 -0.0142 1652 ASP 108 HA 0.0016 0.0117 -0.0161 1653 ASP 108 CB 0.0070 0.0139 -0.0139 1654 ASP 108 HB1 0.0084 0.0140 -0.0116 1655 ASP 108 HB2 0.0079 0.0150 -0.0166 1656 ASP 108 CG 0.0079 0.0143 -0.0136 1657 ASP 108 OD1 0.0057 0.0130 -0.0129 1658 ASP 108 OD2 0.0111 0.0159 -0.0138 1659 ASP 108 C 0.0016 0.0103 -0.0104 1660 ASP 108 O 0.0009 0.0095 -0.0085 1661 HIS 109 N -0.0040 0.0163 -0.0147 1662 HIS 109 HN -0.0060 0.0170 -0.0149 1663 HIS 109 CA -0.0053 0.0052 -0.0035 1664 HIS 109 HA -0.0081 0.0071 -0.0048 1665 HIS 109 CB -0.0192 -0.0010 0.0054 1666 HIS 109 HB1 -0.0177 -0.0103 0.0143 1667 HIS 109 HB2 -0.0192 -0.0004 0.0048 1668 HIS 109 CD2 -0.0487 0.0104 -0.0000 1669 HIS 109 HD2 -0.0509 0.0123 -0.0015 1670 HIS 109 CG -0.0353 0.0047 0.0029 1671 HIS 109 NE2 -0.0605 0.0140 -0.0013 1672 HIS 109 HE2 -0.0715 0.0184 -0.0035 1673 HIS 109 ND1 -0.0388 0.0048 0.0036 1674 HIS 109 HD1 -0.0311 0.0015 0.0053 1675 HIS 109 CE1 -0.0539 0.0106 0.0008 1676 HIS 109 HE1 -0.0600 0.0123 0.0004 1677 HIS 109 C 0.0108 -0.0029 0.0014 1678 HIS 109 O 0.0133 -0.0104 0.0082 1679 ASP 110 N 0.0091 0.0021 -0.0035 1680 ASP 110 HN 0.0103 0.0019 -0.0052 1681 ASP 110 CA 0.0104 0.0028 -0.0021 1682 ASP 110 HA 0.0107 0.0036 0.0002 1683 ASP 110 CB 0.0135 0.0031 -0.0037 1684 ASP 110 HB1 0.0143 0.0036 -0.0028 1685 ASP 110 HB2 0.0131 0.0023 -0.0061 1686 ASP 110 CG 0.0159 0.0038 -0.0034 1687 ASP 110 OD1 0.0156 0.0042 -0.0017 1688 ASP 110 OD2 0.0183 0.0040 -0.0049 1689 ASP 110 C 0.0086 0.0024 -0.0021 1690 ASP 110 O 0.0090 0.0030 -0.0004 1691 THR 111 N 0.0058 0.0075 -0.0016 1692 THR 111 HN 0.0053 0.0074 -0.0027 1693 THR 111 CA 0.0057 0.0073 -0.0010 1694 THR 111 HA 0.0064 0.0076 0.0001 1695 THR 111 CB 0.0059 0.0078 -0.0022 1696 THR 111 HB 0.0060 0.0077 -0.0016 1697 THR 111 OG1 0.0048 0.0072 -0.0036 1698 THR 111 HG1 0.0042 0.0064 -0.0031 1699 THR 111 CG2 0.0070 0.0091 -0.0030 1700 THR 111 HG21 0.0069 0.0092 -0.0036 1701 THR 111 HG22 0.0071 0.0095 -0.0039 1702 THR 111 HG23 0.0078 0.0096 -0.0020 1703 THR 111 C 0.0045 0.0060 -0.0005 1704 THR 111 O 0.0041 0.0055 -0.0001 1705 THR 112 N 0.0041 0.0054 -0.0000 1706 THR 112 HN 0.0035 0.0042 0.0009 1707 THR 112 CA 0.0014 0.0047 0.0006 1708 THR 112 HA 0.0026 0.0059 -0.0003 1709 THR 112 CB -0.0031 0.0057 0.0001 1710 THR 112 HB -0.0045 0.0044 0.0012 1711 THR 112 OG1 -0.0036 0.0092 -0.0024 1712 THR 112 HG1 -0.0023 0.0097 -0.0028 1713 THR 112 CG2 -0.0058 0.0051 0.0008 1714 THR 112 HG21 -0.0044 0.0063 -0.0002 1715 THR 112 HG22 -0.0090 0.0061 0.0002 1716 THR 112 HG23 -0.0059 0.0023 0.0027 1717 THR 112 C 0.0015 0.0010 0.0033 1718 THR 112 O 0.0011 -0.0010 0.0048 1719 PHE 113 N 0.0005 0.0020 0.0035 1720 PHE 113 HN 0.0004 0.0023 0.0032 1721 PHE 113 CA 0.0007 0.0011 0.0044 1722 PHE 113 HA 0.0006 0.0008 0.0047 1723 PHE 113 CB 0.0020 0.0011 0.0046 1724 PHE 113 HB1 0.0023 0.0004 0.0052 1725 PHE 113 HB2 0.0020 0.0013 0.0044 1726 PHE 113 CG 0.0028 0.0017 0.0042 1727 PHE 113 CD1 0.0036 0.0023 0.0037 1728 PHE 113 HD1 0.0036 0.0023 0.0036 1729 PHE 113 CE1 0.0044 0.0028 0.0033 1730 PHE 113 HE1 0.0049 0.0033 0.0029 1731 PHE 113 CZ 0.0044 0.0027 0.0034 1732 PHE 113 HZ 0.0050 0.0031 0.0031 1733 PHE 113 CD2 0.0029 0.0016 0.0043 1734 PHE 113 HD2 0.0023 0.0011 0.0046 1735 PHE 113 CE2 0.0037 0.0021 0.0039 1736 PHE 113 HE2 0.0037 0.0021 0.0039 1737 PHE 113 C -0.0001 0.0007 0.0047 1738 PHE 113 O -0.0007 0.0011 0.0042 1739 GLU 114 N -0.0041 0.0039 0.0034 1740 GLU 114 HN -0.0035 0.0027 0.0037 1741 GLU 114 CA -0.0046 0.0019 0.0037 1742 GLU 114 HA -0.0043 0.0034 0.0034 1743 GLU 114 CB -0.0081 0.0002 0.0036 1744 GLU 114 HB1 -0.0084 -0.0012 0.0039 1745 GLU 114 HB2 -0.0083 -0.0014 0.0039 1746 GLU 114 CG -0.0110 0.0027 0.0026 1747 GLU 114 HG1 -0.0110 0.0039 0.0023 1748 GLU 114 HG2 -0.0107 0.0045 0.0022 1749 GLU 114 CD -0.0144 0.0010 0.0025 1750 GLU 114 OE1 -0.0168 0.0028 0.0017 1751 GLU 114 OE2 -0.0145 -0.0021 0.0031 1752 GLU 114 C -0.0020 -0.0006 0.0047 1753 GLU 114 O -0.0004 -0.0015 0.0051 1754 GLU 115 N -0.0019 0.0097 0.0018 1755 GLU 115 HN -0.0015 0.0119 0.0028 1756 GLU 115 CA -0.0007 0.0090 -0.0008 1757 GLU 115 HA -0.0001 0.0082 -0.0024 1758 GLU 115 CB 0.0010 0.0119 -0.0016 1759 GLU 115 HB1 0.0018 0.0113 -0.0034 1760 GLU 115 HB2 0.0004 0.0130 0.0002 1761 GLU 115 CG 0.0023 0.0141 -0.0022 1762 GLU 115 HG1 0.0015 0.0147 -0.0004 1763 GLU 115 HG2 0.0030 0.0131 -0.0041 1764 GLU 115 CD 0.0038 0.0169 -0.0027 1765 GLU 115 OE1 0.0047 0.0167 -0.0045 1766 GLU 115 OE2 0.0042 0.0194 -0.0015 1767 GLU 115 C -0.0015 0.0066 -0.0012 1768 GLU 115 O -0.0029 0.0060 0.0008 1769 ILE 116 N -0.0004 0.0061 -0.0011 1770 ILE 116 HN 0.0014 0.0068 -0.0024 1771 ILE 116 CA -0.0005 0.0030 -0.0005 1772 ILE 116 HA -0.0025 0.0023 0.0009 1773 ILE 116 CB 0.0013 0.0006 -0.0014 1774 ILE 116 HB 0.0032 0.0015 -0.0029 1775 ILE 116 CG2 0.0003 0.0006 -0.0007 1776 ILE 116 HG21 0.0000 0.0029 -0.0009 1777 ILE 116 HG22 0.0017 -0.0008 -0.0014 1778 ILE 116 HG23 -0.0016 -0.0004 0.0008 1779 ILE 116 CG1 0.0015 -0.0026 -0.0010 1780 ILE 116 HG11 -0.0004 -0.0035 0.0004 1781 ILE 116 HG12 0.0022 -0.0026 -0.0015 1782 ILE 116 CD 0.0034 -0.0049 -0.0020 1783 ILE 116 HD1 0.0054 -0.0041 -0.0034 1784 ILE 116 HD2 0.0036 -0.0072 -0.0017 1785 ILE 116 HD3 0.0028 -0.0053 -0.0015 1786 ILE 116 C 0.0001 0.0030 -0.0010 1787 ILE 116 O 0.0020 0.0042 -0.0025 1788 ILE 117 N 0.0006 0.0045 -0.0073 1789 ILE 117 HN -0.0052 0.0041 -0.0101 1790 ILE 117 CA 0.0077 -0.0006 -0.0104 1791 ILE 117 HA 0.0133 0.0010 -0.0062 1792 ILE 117 CB 0.0060 -0.0032 -0.0142 1793 ILE 117 HB -0.0004 -0.0041 -0.0179 1794 ILE 117 CG2 0.0128 -0.0093 -0.0185 1795 ILE 117 HG21 0.0116 -0.0109 -0.0209 1796 ILE 117 HG22 0.0125 -0.0128 -0.0228 1797 ILE 117 HG23 0.0193 -0.0087 -0.0152 1798 ILE 117 CG1 0.0057 0.0013 -0.0089 1799 ILE 117 HG11 0.0101 0.0040 -0.0039 1800 ILE 117 HG12 0.0082 -0.0013 -0.0110 1801 ILE 117 CD -0.0033 0.0055 -0.0077 1802 ILE 117 HD1 -0.0060 0.0085 -0.0053 1803 ILE 117 HD2 -0.0077 0.0028 -0.0127 1804 ILE 117 HD3 -0.0029 0.0083 -0.0042 1805 ILE 117 C 0.0100 -0.0053 -0.0150 1806 ILE 117 O 0.0043 -0.0068 -0.0191 1807 ILE 118 N -0.0029 0.0025 0.0090 1808 ILE 118 HN -0.0070 0.0048 0.0053 1809 ILE 118 CA -0.0074 -0.0060 0.0339 1810 ILE 118 HA 0.0066 -0.0021 0.0158 1811 ILE 118 CB 0.0039 0.0016 0.0076 1812 ILE 118 HB -0.0017 0.0036 0.0054 1813 ILE 118 CG2 0.0087 -0.0011 0.0120 1814 ILE 118 HG21 0.0108 0.0000 0.0078 1815 ILE 118 HG22 0.0046 -0.0020 0.0167 1816 ILE 118 HG23 0.0141 -0.0032 0.0146 1817 ILE 118 CG1 0.0091 0.0033 0.0001 1818 ILE 118 HG11 0.0109 0.0044 -0.0036 1819 ILE 118 HG12 0.0052 0.0055 -0.0035 1820 ILE 118 CD 0.0169 0.0011 0.0016 1821 ILE 118 HD1 0.0201 0.0026 -0.0040 1822 ILE 118 HD2 0.0213 -0.0011 0.0048 1823 ILE 118 HD3 0.0153 0.0001 0.0052 1824 ILE 118 C -0.0048 -0.0011 0.0197 1825 ILE 118 OT1 -0.0119 0.0009 0.0184 1826 ILE 118 OT2 -0.0097 0.0011 0.0165