1 ASN 3 N 0.0065 -0.0008 0.0099 2 ASN 3 HN 0.0075 -0.0012 0.0097 3 ASN 3 CA 0.0055 0.0003 0.0097 4 ASN 3 HA 0.0049 0.0009 0.0096 5 ASN 3 CB 0.0065 0.0014 0.0090 6 ASN 3 HB1 0.0058 0.0023 0.0089 7 ASN 3 HB2 0.0072 0.0008 0.0091 8 ASN 3 CG 0.0075 0.0022 0.0085 9 ASN 3 OD1 0.0070 0.0033 0.0082 10 ASN 3 ND2 0.0090 0.0017 0.0083 11 ASN 3 HD21 0.0096 0.0022 0.0080 12 ASN 3 HD22 0.0093 0.0006 0.0086 13 ASN 3 C 0.0044 -0.0003 0.0102 14 ASN 3 O 0.0043 -0.0016 0.0107 15 ARG 4 N -0.0056 0.0072 0.0095 16 ARG 4 HN -0.0059 0.0107 0.0165 17 ARG 4 CA -0.0008 0.0030 0.0033 18 ARG 4 HA -0.0023 -0.0003 -0.0044 19 ARG 4 CB -0.0053 0.0049 0.0049 20 ARG 4 HB1 -0.0024 0.0015 -0.0007 21 ARG 4 HB2 -0.0022 0.0078 0.0124 22 ARG 4 CG -0.0176 0.0075 0.0042 23 ARG 4 HG1 -0.0195 0.0085 0.0054 24 ARG 4 HG2 -0.0205 0.0112 0.0105 25 ARG 4 CD -0.0233 0.0041 -0.0055 26 ARG 4 HD1 -0.0217 0.0032 -0.0065 27 ARG 4 HD2 -0.0207 0.0004 -0.0118 28 ARG 4 NE -0.0350 0.0072 -0.0048 29 ARG 4 HE -0.0369 0.0100 0.0000 30 ARG 4 CZ -0.0429 0.0068 -0.0096 31 ARG 4 NH1 -0.0413 0.0034 -0.0157 32 ARG 4 HH11 -0.0339 0.0016 -0.0157 33 ARG 4 HH12 -0.0473 0.0036 -0.0183 34 ARG 4 NH2 -0.0528 0.0098 -0.0081 35 ARG 4 HH21 -0.0588 0.0095 -0.0116 36 ARG 4 HH22 -0.0541 0.0125 -0.0033 37 ARG 4 C 0.0114 0.0013 0.0056 38 ARG 4 O 0.0168 -0.0029 -0.0003 39 ALA 5 N 0.0011 -0.0013 0.0115 40 ALA 5 HN 0.0010 -0.0008 0.0118 41 ALA 5 CA 0.0013 -0.0019 0.0119 42 ALA 5 HA 0.0013 -0.0024 0.0116 43 ALA 5 CB 0.0014 -0.0017 0.0121 44 ALA 5 HB1 0.0016 -0.0022 0.0124 45 ALA 5 HB2 0.0012 -0.0017 0.0116 46 ALA 5 HB3 0.0014 -0.0012 0.0124 47 ALA 5 C 0.0016 -0.0020 0.0126 48 ALA 5 O 0.0016 -0.0014 0.0129 49 PHE 6 N 0.0035 -0.0021 0.0094 50 PHE 6 HN 0.0037 -0.0022 0.0093 51 PHE 6 CA 0.0035 -0.0021 0.0094 52 PHE 6 HA 0.0033 -0.0020 0.0094 53 PHE 6 CB 0.0036 -0.0020 0.0090 54 PHE 6 HB1 0.0036 -0.0020 0.0090 55 PHE 6 HB2 0.0037 -0.0021 0.0089 56 PHE 6 CG 0.0033 -0.0019 0.0088 57 PHE 6 CD1 0.0033 -0.0018 0.0087 58 PHE 6 HD1 0.0034 -0.0019 0.0087 59 PHE 6 CE1 0.0030 -0.0016 0.0086 60 PHE 6 HE1 0.0030 -0.0016 0.0085 61 PHE 6 CZ 0.0028 -0.0015 0.0086 62 PHE 6 HZ 0.0026 -0.0014 0.0085 63 PHE 6 CD2 0.0031 -0.0017 0.0088 64 PHE 6 HD2 0.0031 -0.0018 0.0089 65 PHE 6 CE2 0.0029 -0.0016 0.0087 66 PHE 6 HE2 0.0027 -0.0015 0.0087 67 PHE 6 C 0.0037 -0.0022 0.0096 68 PHE 6 O 0.0039 -0.0023 0.0096 69 LYS 7 N 0.0044 -0.0021 0.0054 70 LYS 7 HN 0.0046 -0.0036 0.0051 71 LYS 7 CA 0.0051 -0.0006 0.0038 72 LYS 7 HA 0.0047 0.0010 0.0043 73 LYS 7 CB 0.0058 -0.0006 0.0025 74 LYS 7 HB1 0.0054 -0.0000 0.0032 75 LYS 7 HB2 0.0064 0.0005 0.0013 76 LYS 7 CG 0.0064 -0.0028 0.0017 77 LYS 7 HG1 0.0067 -0.0036 0.0013 78 LYS 7 HG2 0.0059 -0.0038 0.0028 79 LYS 7 CD 0.0073 -0.0026 -0.0000 80 LYS 7 HD1 0.0071 -0.0021 0.0004 81 LYS 7 HD2 0.0077 -0.0014 -0.0009 82 LYS 7 CE 0.0081 -0.0046 -0.0011 83 LYS 7 HE1 0.0088 -0.0042 -0.0025 84 LYS 7 HE2 0.0083 -0.0052 -0.0014 85 LYS 7 NZ 0.0078 -0.0063 -0.0002 86 LYS 7 HZ1 0.0078 -0.0061 -0.0003 87 LYS 7 HZ2 0.0070 -0.0065 0.0012 88 LYS 7 HZ3 0.0082 -0.0078 -0.0008 89 LYS 7 C 0.0058 -0.0010 0.0026 90 LYS 7 O 0.0059 -0.0027 0.0027 91 SER 8 N 0.0062 0.0010 0.0003 92 SER 8 HN 0.0059 0.0024 -0.0001 93 SER 8 CA 0.0067 0.0006 -0.0000 94 SER 8 HA 0.0074 -0.0009 0.0001 95 SER 8 CB 0.0053 0.0011 0.0011 96 SER 8 HB1 0.0046 0.0002 0.0024 97 SER 8 HB2 0.0057 0.0007 0.0010 98 SER 8 OG 0.0044 0.0031 0.0010 99 SER 8 HG1 0.0040 0.0034 0.0013 100 SER 8 C 0.0077 0.0017 -0.0017 101 SER 8 O 0.0077 0.0031 -0.0025 102 HIS 9 N 0.0126 0.0071 -0.0046 103 HIS 9 HN 0.0126 0.0063 -0.0034 104 HIS 9 CA 0.0130 0.0075 -0.0053 105 HIS 9 HA 0.0136 0.0069 -0.0044 106 HIS 9 CB 0.0111 0.0081 -0.0057 107 HIS 9 HB1 0.0114 0.0084 -0.0062 108 HIS 9 HB2 0.0103 0.0087 -0.0065 109 HIS 9 CD2 0.0082 0.0071 -0.0035 110 HIS 9 HD2 0.0073 0.0075 -0.0040 111 HIS 9 CG 0.0099 0.0072 -0.0041 112 HIS 9 NE2 0.0079 0.0061 -0.0020 113 HIS 9 HE2 0.0069 0.0057 -0.0011 114 HIS 9 ND1 0.0106 0.0064 -0.0031 115 HIS 9 HD1 0.0118 0.0063 -0.0032 116 HIS 9 CE1 0.0094 0.0057 -0.0018 117 HIS 9 HE1 0.0095 0.0050 -0.0007 118 HIS 9 C 0.0145 0.0083 -0.0067 119 HIS 9 O 0.0162 0.0079 -0.0066 120 HIS 10 N 0.0387 0.0211 0.0032 121 HIS 10 HN 0.0191 0.0102 -0.0036 122 HIS 10 CA 0.0506 0.0268 -0.0140 123 HIS 10 HA 0.0681 0.0370 0.0001 124 HIS 10 CB 0.0263 0.0134 -0.0201 125 HIS 10 HB1 0.0361 0.0182 -0.0319 126 HIS 10 HB2 0.0097 0.0036 -0.0371 127 HIS 10 CD2 -0.0185 -0.0093 0.0194 128 HIS 10 HD2 -0.0361 -0.0194 0.0071 129 HIS 10 CG 0.0103 0.0060 0.0109 130 HIS 10 NE2 -0.0225 -0.0103 0.0476 131 HIS 10 HE2 -0.0413 -0.0199 0.0598 132 HIS 10 ND1 0.0243 0.0146 0.0328 133 HIS 10 HD1 0.0456 0.0261 0.0322 134 HIS 10 CE1 0.0041 0.0045 0.0545 135 HIS 10 HE1 0.0078 0.0074 0.0753 136 HIS 10 C 0.0624 0.0318 -0.0484 137 HIS 10 O 0.0695 0.0348 -0.0684 138 GLY 11 N 0.0158 0.0069 -0.0081 139 GLY 11 HN 0.0148 0.0052 -0.0065 140 GLY 11 CA 0.0142 0.0080 -0.0075 141 GLY 11 HA1 0.0155 0.0098 -0.0093 142 GLY 11 HA2 0.0144 0.0055 -0.0063 143 GLY 11 C 0.0105 0.0100 -0.0059 144 GLY 11 O 0.0090 0.0109 -0.0052 145 HIS 12 N 0.0079 0.0022 -0.0137 146 HIS 12 HN 0.0071 0.0026 -0.0135 147 HIS 12 CA 0.0048 0.0036 -0.0121 148 HIS 12 HA 0.0044 0.0041 -0.0147 149 HIS 12 CB 0.0006 0.0055 -0.0108 150 HIS 12 HB1 -0.0014 0.0063 -0.0090 151 HIS 12 HB2 0.0011 0.0050 -0.0085 152 HIS 12 CD2 -0.0058 0.0092 -0.0153 153 HIS 12 HD2 -0.0082 0.0101 -0.0131 154 HIS 12 CG -0.0017 0.0071 -0.0147 155 HIS 12 NE2 -0.0063 0.0100 -0.0195 156 HIS 12 HE2 -0.0090 0.0115 -0.0209 157 HIS 12 ND1 0.0003 0.0066 -0.0183 158 HIS 12 HD1 0.0032 0.0051 -0.0188 159 HIS 12 CE1 -0.0026 0.0083 -0.0212 160 HIS 12 HE1 -0.0021 0.0085 -0.0245 161 HIS 12 C 0.0061 0.0024 -0.0079 162 HIS 12 O 0.0083 0.0010 -0.0051 163 PHE 13 N -0.0006 -0.0026 0.0020 164 PHE 13 HN -0.0009 -0.0023 0.0017 165 PHE 13 CA -0.0006 -0.0027 0.0022 166 PHE 13 HA -0.0002 -0.0029 0.0024 167 PHE 13 CB -0.0008 -0.0025 0.0019 168 PHE 13 HB1 -0.0007 -0.0026 0.0021 169 PHE 13 HB2 -0.0013 -0.0023 0.0018 170 PHE 13 CG -0.0004 -0.0022 0.0014 171 PHE 13 CD1 0.0003 -0.0024 0.0014 172 PHE 13 HD1 0.0004 -0.0027 0.0017 173 PHE 13 CE1 0.0007 -0.0022 0.0009 174 PHE 13 HE1 0.0012 -0.0023 0.0009 175 PHE 13 CZ 0.0004 -0.0018 0.0004 176 PHE 13 HZ 0.0008 -0.0017 0.0001 177 PHE 13 CD2 -0.0006 -0.0019 0.0009 178 PHE 13 HD2 -0.0011 -0.0018 0.0009 179 PHE 13 CE2 -0.0002 -0.0017 0.0004 180 PHE 13 HE2 -0.0004 -0.0014 0.0001 181 PHE 13 C -0.0011 -0.0029 0.0027 182 PHE 13 O -0.0016 -0.0028 0.0027 183 LEU 14 N 0.0016 -0.0043 0.0065 184 LEU 14 HN 0.0016 -0.0051 0.0065 185 LEU 14 CA 0.0023 -0.0031 0.0072 186 LEU 14 HA 0.0019 -0.0022 0.0070 187 LEU 14 CB 0.0023 -0.0024 0.0073 188 LEU 14 HB1 0.0029 -0.0014 0.0079 189 LEU 14 HB2 0.0028 -0.0033 0.0076 190 LEU 14 CG 0.0011 -0.0020 0.0064 191 LEU 14 HG 0.0006 -0.0030 0.0059 192 LEU 14 CD1 0.0013 -0.0013 0.0066 193 LEU 14 HD11 0.0018 -0.0003 0.0070 194 LEU 14 HD12 0.0004 -0.0010 0.0059 195 LEU 14 HD13 0.0018 -0.0021 0.0069 196 LEU 14 CD2 0.0004 -0.0009 0.0059 197 LEU 14 HD21 0.0002 -0.0014 0.0057 198 LEU 14 HD22 -0.0004 -0.0005 0.0052 199 LEU 14 HD23 0.0009 0.0002 0.0064 200 LEU 14 C 0.0035 -0.0035 0.0082 201 LEU 14 O 0.0040 -0.0047 0.0085 202 SER 15 N -0.0010 -0.0092 0.0090 203 SER 15 HN -0.0010 -0.0084 0.0086 204 SER 15 CA 0.0004 -0.0099 0.0101 205 SER 15 HA 0.0006 -0.0104 0.0104 206 SER 15 CB 0.0004 -0.0112 0.0107 207 SER 15 HB1 0.0016 -0.0116 0.0115 208 SER 15 HB2 0.0001 -0.0108 0.0104 209 SER 15 OG -0.0007 -0.0126 0.0109 210 SER 15 HG1 -0.0016 -0.0123 0.0102 211 SER 15 C 0.0019 -0.0086 0.0102 212 SER 15 O 0.0019 -0.0074 0.0096 213 ALA 16 N -0.0007 -0.0159 0.0114 214 ALA 16 HN -0.0019 -0.0164 0.0127 215 ALA 16 CA 0.0032 -0.0153 0.0088 216 ALA 16 HA 0.0041 -0.0146 0.0073 217 ALA 16 CB 0.0022 -0.0132 0.0060 218 ALA 16 HB1 -0.0005 -0.0115 0.0046 219 ALA 16 HB2 0.0013 -0.0139 0.0075 220 ALA 16 HB3 0.0050 -0.0126 0.0038 221 ALA 16 C 0.0069 -0.0176 0.0107 222 ALA 16 O 0.0065 -0.0191 0.0132 223 GLU 17 N 0.0198 -0.0124 0.0193 224 GLU 17 HN 0.0210 -0.0099 0.0132 225 GLU 17 CA 0.0264 -0.0101 0.0261 226 GLU 17 HA 0.0249 -0.0129 0.0323 227 GLU 17 CB 0.0304 -0.0078 0.0270 228 GLU 17 HB1 0.0364 -0.0049 0.0303 229 GLU 17 HB2 0.0306 -0.0058 0.0203 230 GLU 17 CG 0.0267 -0.0118 0.0324 231 GLU 17 HG1 0.0207 -0.0148 0.0294 232 GLU 17 HG2 0.0267 -0.0137 0.0392 233 GLU 17 CD 0.0313 -0.0089 0.0329 234 GLU 17 OE1 0.0279 -0.0109 0.0323 235 GLU 17 OE2 0.0384 -0.0042 0.0326 236 GLU 17 C 0.0326 -0.0055 0.0239 237 GLU 17 O 0.0350 -0.0019 0.0169 238 GLY 18 N 0.0406 -0.0171 0.0315 239 GLY 18 HN 0.0376 -0.0195 0.0383 240 GLY 18 CA 0.0496 -0.0142 0.0268 241 GLY 18 HA1 0.0568 -0.0129 0.0273 242 GLY 18 HA2 0.0506 -0.0152 0.0315 243 GLY 18 C 0.0474 -0.0115 0.0152 244 GLY 18 O 0.0411 -0.0120 0.0127 245 GLU 19 N 0.0409 -0.0098 0.0321 246 GLU 19 HN 0.0439 -0.0023 0.0290 247 GLU 19 CA 0.0401 -0.0001 0.0191 248 GLU 19 HA 0.0392 -0.0070 0.0257 249 GLU 19 CB 0.0543 0.0234 0.0182 250 GLU 19 HB1 0.0533 0.0308 0.0076 251 GLU 19 HB2 0.0552 0.0309 0.0111 252 GLU 19 CG 0.0691 0.0282 0.0403 253 GLU 19 HG1 0.0712 0.0217 0.0518 254 GLU 19 HG2 0.0686 0.0216 0.0472 255 GLU 19 CD 0.0827 0.0515 0.0384 256 GLU 19 OE1 0.0813 0.0629 0.0223 257 GLU 19 OE2 0.0947 0.0581 0.0530 258 GLU 19 C 0.0265 -0.0018 -0.0042 259 GLU 19 O 0.0255 0.0083 -0.0181 260 ALA 20 N 0.0221 0.0018 0.0099 261 ALA 20 HN 0.0224 -0.0012 0.0124 262 ALA 20 CA 0.0177 0.0027 0.0070 263 ALA 20 HA 0.0171 0.0052 0.0047 264 ALA 20 CB 0.0183 0.0041 0.0062 265 ALA 20 HB1 0.0150 0.0050 0.0038 266 ALA 20 HB2 0.0215 0.0068 0.0056 267 ALA 20 HB3 0.0187 0.0015 0.0085 268 ALA 20 C 0.0133 -0.0010 0.0078 269 ALA 20 O 0.0134 -0.0045 0.0108 270 VAL 21 N 0.0077 -0.0001 0.0074 271 VAL 21 HN 0.0081 0.0008 0.0058 272 VAL 21 CA 0.0054 -0.0013 0.0077 273 VAL 21 HA 0.0051 -0.0023 0.0095 274 VAL 21 CB 0.0034 -0.0014 0.0060 275 VAL 21 HB 0.0035 -0.0005 0.0041 276 VAL 21 CG1 0.0010 -0.0028 0.0065 277 VAL 21 HG11 0.0008 -0.0028 0.0063 278 VAL 21 HG12 0.0008 -0.0037 0.0083 279 VAL 21 HG13 -0.0005 -0.0029 0.0052 280 VAL 21 CG2 0.0035 -0.0015 0.0062 281 VAL 21 HG21 0.0020 -0.0017 0.0050 282 VAL 21 HG22 0.0035 -0.0023 0.0080 283 VAL 21 HG23 0.0052 -0.0005 0.0056 284 VAL 21 C 0.0055 -0.0010 0.0072 285 VAL 21 O 0.0063 0.0001 0.0055 286 LYS 22 N 0.0065 0.0032 0.0069 287 LYS 22 HN 0.0067 0.0003 0.0085 288 LYS 22 CA 0.0047 0.0041 0.0039 289 LYS 22 HA 0.0041 0.0068 0.0018 290 LYS 22 CB 0.0060 0.0052 0.0054 291 LYS 22 HB1 0.0078 0.0080 0.0071 292 LYS 22 HB2 0.0047 0.0063 0.0031 293 LYS 22 CG 0.0067 0.0014 0.0080 294 LYS 22 HG1 0.0051 -0.0006 0.0063 295 LYS 22 HG2 0.0070 -0.0008 0.0094 296 LYS 22 CD 0.0092 0.0027 0.0113 297 LYS 22 HD1 0.0096 -0.0004 0.0131 298 LYS 22 HD2 0.0108 0.0047 0.0130 299 LYS 22 CE 0.0091 0.0052 0.0101 300 LYS 22 HE1 0.0090 0.0085 0.0087 301 LYS 22 HE2 0.0073 0.0033 0.0082 302 LYS 22 NZ 0.0113 0.0055 0.0135 303 LYS 22 HZ1 0.0112 0.0066 0.0130 304 LYS 22 HZ2 0.0131 0.0072 0.0155 305 LYS 22 HZ3 0.0115 0.0023 0.0151 306 LYS 22 C 0.0024 0.0002 0.0018 307 LYS 22 O 0.0024 -0.0035 0.0033 308 THR 23 N -0.0006 0.0058 0.0018 309 THR 23 HN -0.0016 0.0073 0.0017 310 THR 23 CA -0.0001 0.0042 -0.0005 311 THR 23 HA 0.0011 0.0026 0.0000 312 THR 23 CB -0.0008 0.0046 -0.0022 313 THR 23 HB -0.0020 0.0063 -0.0027 314 THR 23 OG1 -0.0003 0.0044 -0.0008 315 THR 23 HG1 -0.0009 0.0049 -0.0019 316 THR 23 CG2 -0.0002 0.0029 -0.0046 317 THR 23 HG21 -0.0006 0.0031 -0.0056 318 THR 23 HG22 -0.0007 0.0031 -0.0059 319 THR 23 HG23 0.0010 0.0012 -0.0040 320 THR 23 C -0.0006 0.0044 -0.0021 321 THR 23 O -0.0018 0.0062 -0.0022 322 HIS 24 N -0.0036 -0.0016 -0.0018 323 HIS 24 HN -0.0023 -0.0025 -0.0015 324 HIS 24 CA -0.0039 -0.0031 -0.0037 325 HIS 24 HA -0.0057 -0.0020 -0.0042 326 HIS 24 CB -0.0018 -0.0039 -0.0026 327 HIS 24 HB1 0.0001 -0.0049 -0.0020 328 HIS 24 HB2 -0.0018 -0.0023 -0.0010 329 HIS 24 CD2 0.0001 -0.0071 -0.0044 330 HIS 24 HD2 0.0022 -0.0080 -0.0035 331 HIS 24 CG -0.0018 -0.0054 -0.0042 332 HIS 24 NE2 -0.0010 -0.0078 -0.0061 333 HIS 24 HE2 -0.0001 -0.0089 -0.0066 334 HIS 24 ND1 -0.0041 -0.0049 -0.0058 335 HIS 24 HD1 -0.0059 -0.0036 -0.0061 336 HIS 24 CE1 -0.0035 -0.0063 -0.0069 337 HIS 24 HE1 -0.0049 -0.0064 -0.0082 338 HIS 24 C -0.0040 -0.0051 -0.0060 339 HIS 24 O -0.0026 -0.0063 -0.0059 340 HIS 25 N -0.0039 0.0015 -0.0149 341 HIS 25 HN -0.0038 0.0016 -0.0148 342 HIS 25 CA -0.0050 0.0002 -0.0153 343 HIS 25 HA -0.0057 0.0006 -0.0155 344 HIS 25 CB -0.0060 -0.0003 -0.0156 345 HIS 25 HB1 -0.0068 0.0007 -0.0158 346 HIS 25 HB2 -0.0067 -0.0013 -0.0159 347 HIS 25 CD2 -0.0047 -0.0021 -0.0153 348 HIS 25 HD2 -0.0048 -0.0033 -0.0154 349 HIS 25 CG -0.0051 -0.0007 -0.0154 350 HIS 25 NE2 -0.0040 -0.0017 -0.0151 351 HIS 25 HE2 -0.0035 -0.0025 -0.0150 352 HIS 25 ND1 -0.0047 0.0006 -0.0152 353 HIS 25 HD1 -0.0049 0.0018 -0.0151 354 HIS 25 CE1 -0.0040 -0.0001 -0.0150 355 HIS 25 HE1 -0.0035 0.0006 -0.0148 356 HIS 25 C -0.0041 -0.0013 -0.0151 357 HIS 25 O -0.0048 -0.0023 -0.0154 358 GLY 26 N -0.0086 -0.0033 -0.0089 359 GLY 26 HN -0.0065 -0.0038 -0.0104 360 GLY 26 CA -0.0092 -0.0034 -0.0081 361 GLY 26 HA1 -0.0113 -0.0016 -0.0086 362 GLY 26 HA2 -0.0072 -0.0038 -0.0096 363 GLY 26 C -0.0095 -0.0053 -0.0047 364 GLY 26 O -0.0084 -0.0071 -0.0030 365 HIS 27 N -0.0173 0.0015 -0.0006 366 HIS 27 HN -0.0195 0.0049 -0.0043 367 HIS 27 CA -0.0179 0.0021 0.0045 368 HIS 27 HA -0.0214 0.0069 0.0055 369 HIS 27 CB -0.0160 -0.0012 0.0123 370 HIS 27 HB1 -0.0169 -0.0002 0.0157 371 HIS 27 HB2 -0.0124 -0.0062 0.0118 372 HIS 27 CD2 -0.0158 -0.0019 0.0188 373 HIS 27 HD2 -0.0124 -0.0066 0.0182 374 HIS 27 CG -0.0178 0.0011 0.0164 375 HIS 27 NE2 -0.0190 0.0024 0.0220 376 HIS 27 HE2 -0.0187 0.0018 0.0240 377 HIS 27 ND1 -0.0222 0.0071 0.0181 378 HIS 27 HD1 -0.0245 0.0103 0.0170 379 HIS 27 CE1 -0.0228 0.0077 0.0215 380 HIS 27 HE1 -0.0260 0.0120 0.0235 381 HIS 27 C -0.0163 0.0001 0.0002 382 HIS 27 O -0.0128 -0.0045 -0.0034 383 HIS 28 N -0.0281 0.0159 0.0051 384 HIS 28 HN -0.0315 0.0254 0.0114 385 HIS 28 CA -0.0305 0.0154 -0.0065 386 HIS 28 HA -0.0358 0.0262 -0.0054 387 HIS 28 CB -0.0249 0.0058 -0.0029 388 HIS 28 HB1 -0.0247 0.0106 0.0083 389 HIS 28 HB2 -0.0274 0.0066 -0.0122 390 HIS 28 CD2 -0.0098 -0.0174 0.0115 391 HIS 28 HD2 -0.0092 -0.0133 0.0232 392 HIS 28 CG -0.0165 -0.0100 -0.0013 393 HIS 28 NE2 -0.0032 -0.0320 0.0080 394 HIS 28 HE2 0.0024 -0.0398 0.0152 395 HIS 28 ND1 -0.0139 -0.0205 -0.0130 396 HIS 28 HD1 -0.0172 -0.0189 -0.0240 397 HIS 28 CE1 -0.0060 -0.0333 -0.0068 398 HIS 28 HE1 -0.0025 -0.0433 -0.0133 399 HIS 28 C -0.0333 0.0130 -0.0240 400 HIS 28 O -0.0383 0.0183 -0.0338 401 ASP 29 N -0.0197 0.0082 -0.0122 402 ASP 29 HN -0.0168 0.0069 -0.0112 403 ASP 29 CA -0.0221 0.0056 -0.0157 404 ASP 29 HA -0.0235 0.0061 -0.0162 405 ASP 29 CB -0.0194 0.0013 -0.0171 406 ASP 29 HB1 -0.0211 -0.0007 -0.0198 407 ASP 29 HB2 -0.0177 0.0007 -0.0164 408 ASP 29 CG -0.0162 0.0004 -0.0157 409 ASP 29 OD1 -0.0132 -0.0027 -0.0159 410 ASP 29 OD2 -0.0169 0.0025 -0.0145 411 ASP 29 C -0.0256 0.0066 -0.0173 412 ASP 29 O -0.0252 0.0074 -0.0164 413 HIS 30 N -0.0185 -0.0030 -0.0060 414 HIS 30 HN -0.0155 0.0003 -0.0022 415 HIS 30 CA -0.0278 -0.0091 -0.0077 416 HIS 30 HA -0.0316 -0.0116 -0.0086 417 HIS 30 CB -0.0336 -0.0088 0.0009 418 HIS 30 HB1 -0.0408 -0.0135 -0.0004 419 HIS 30 HB2 -0.0302 -0.0065 0.0016 420 HIS 30 CD2 -0.0313 0.0001 0.0192 421 HIS 30 HD2 -0.0273 0.0030 0.0206 422 HIS 30 CG -0.0346 -0.0053 0.0108 423 HIS 30 NE2 -0.0344 0.0012 0.0261 424 HIS 30 HE2 -0.0329 0.0048 0.0329 425 HIS 30 ND1 -0.0397 -0.0076 0.0124 426 HIS 30 HD1 -0.0430 -0.0115 0.0075 427 HIS 30 CE1 -0.0394 -0.0036 0.0216 428 HIS 30 HE1 -0.0425 -0.0039 0.0252 429 HIS 30 C -0.0270 -0.0126 -0.0173 430 HIS 30 O -0.0210 -0.0101 -0.0196 431 HIS 31 N -0.0062 -0.0099 0.0085 432 HIS 31 HN -0.0056 -0.0099 0.0082 433 HIS 31 CA -0.0059 -0.0109 0.0091 434 HIS 31 HA -0.0061 -0.0106 0.0090 435 HIS 31 CB -0.0045 -0.0115 0.0089 436 HIS 31 HB1 -0.0042 -0.0123 0.0094 437 HIS 31 HB2 -0.0042 -0.0117 0.0089 438 HIS 31 CD2 -0.0031 -0.0101 0.0071 439 HIS 31 HD2 -0.0033 -0.0097 0.0069 440 HIS 31 CG -0.0036 -0.0108 0.0079 441 HIS 31 NE2 -0.0024 -0.0098 0.0065 442 HIS 31 HE2 -0.0019 -0.0092 0.0058 443 HIS 31 ND1 -0.0032 -0.0111 0.0079 444 HIS 31 HD1 -0.0033 -0.0116 0.0084 445 HIS 31 CE1 -0.0024 -0.0105 0.0070 446 HIS 31 HE1 -0.0019 -0.0104 0.0067 447 HIS 31 C -0.0066 -0.0117 0.0101 448 HIS 31 O -0.0071 -0.0118 0.0105 449 THR 32 N -0.0017 -0.0141 0.0089 450 THR 32 HN -0.0028 -0.0156 0.0118 451 THR 32 CA -0.0007 -0.0115 0.0063 452 THR 32 HA 0.0007 -0.0120 0.0028 453 THR 32 CB -0.0011 -0.0133 0.0074 454 THR 32 HB -0.0026 -0.0128 0.0110 455 THR 32 OG1 -0.0005 -0.0183 0.0064 456 THR 32 HG1 -0.0007 -0.0196 0.0069 457 THR 32 CG2 -0.0000 -0.0108 0.0045 458 THR 32 HG21 -0.0002 -0.0123 0.0052 459 THR 32 HG22 -0.0004 -0.0068 0.0051 460 THR 32 HG23 0.0015 -0.0113 0.0008 461 THR 32 C -0.0013 -0.0061 0.0072 462 THR 32 O -0.0029 -0.0045 0.0110 463 HIS 33 N 0.0038 -0.0028 0.0004 464 HIS 33 HN 0.0062 -0.0044 -0.0025 465 HIS 33 CA 0.0010 0.0029 -0.0003 466 HIS 33 HA -0.0016 0.0040 0.0033 467 HIS 33 CB 0.0007 0.0053 -0.0020 468 HIS 33 HB1 -0.0013 0.0097 -0.0029 469 HIS 33 HB2 0.0033 0.0042 -0.0058 470 HIS 33 CD2 -0.0015 0.0000 0.0071 471 HIS 33 HD2 -0.0017 -0.0018 0.0093 472 HIS 33 CG -0.0005 0.0033 0.0021 473 HIS 33 NE2 -0.0021 -0.0007 0.0090 474 HIS 33 HE2 -0.0028 -0.0030 0.0124 475 HIS 33 ND1 -0.0006 0.0047 0.0009 476 HIS 33 HD1 -0.0000 0.0071 -0.0025 477 HIS 33 CE1 -0.0016 0.0022 0.0050 478 HIS 33 HE1 -0.0018 0.0024 0.0053 479 HIS 33 C 0.0021 0.0052 -0.0045 480 HIS 33 O 0.0051 0.0040 -0.0089 481 PHE 34 N 0.0031 0.0031 0.0001 482 PHE 34 HN 0.0023 0.0038 0.0022 483 PHE 34 CA 0.0033 0.0043 0.0000 484 PHE 34 HA 0.0038 0.0026 -0.0018 485 PHE 34 CB 0.0018 0.0043 0.0035 486 PHE 34 HB1 0.0020 0.0056 0.0034 487 PHE 34 HB2 0.0011 0.0059 0.0055 488 PHE 34 CG 0.0008 0.0004 0.0045 489 PHE 34 CD1 0.0012 -0.0019 0.0029 490 PHE 34 HD1 0.0022 -0.0009 0.0008 491 PHE 34 CE1 0.0003 -0.0055 0.0039 492 PHE 34 HE1 0.0006 -0.0072 0.0027 493 PHE 34 CZ -0.0011 -0.0069 0.0067 494 PHE 34 HZ -0.0018 -0.0096 0.0075 495 PHE 34 CD2 -0.0006 -0.0010 0.0073 496 PHE 34 HD2 -0.0009 0.0007 0.0086 497 PHE 34 CE2 -0.0015 -0.0046 0.0083 498 PHE 34 HE2 -0.0025 -0.0057 0.0104 499 PHE 34 C 0.0044 0.0082 -0.0013 500 PHE 34 O 0.0042 0.0108 0.0000 501 HIS 35 N 0.0070 0.0105 -0.0120 502 HIS 35 HN 0.0062 0.0078 -0.0131 503 HIS 35 CA 0.0087 0.0143 -0.0137 504 HIS 35 HA 0.0095 0.0169 -0.0126 505 HIS 35 CB 0.0096 0.0139 -0.0187 506 HIS 35 HB1 0.0108 0.0165 -0.0201 507 HIS 35 HB2 0.0087 0.0109 -0.0199 508 HIS 35 CD2 0.0089 0.0107 -0.0214 509 HIS 35 HD2 0.0076 0.0074 -0.0209 510 HIS 35 CG 0.0099 0.0139 -0.0205 511 HIS 35 NE2 0.0098 0.0121 -0.0232 512 HIS 35 HE2 0.0094 0.0104 -0.0241 513 HIS 35 ND1 0.0115 0.0174 -0.0219 514 HIS 35 HD1 0.0126 0.0202 -0.0218 515 HIS 35 CE1 0.0114 0.0161 -0.0234 516 HIS 35 HE1 0.0124 0.0182 -0.0247 517 HIS 35 C 0.0086 0.0150 -0.0119 518 HIS 35 O 0.0077 0.0123 -0.0124 519 VAL 36 N -0.0022 0.0092 -0.0097 520 VAL 36 HN -0.0012 0.0100 -0.0101 521 VAL 36 CA -0.0021 0.0088 -0.0079 522 VAL 36 HA -0.0032 0.0079 -0.0073 523 VAL 36 CB -0.0006 0.0094 -0.0065 524 VAL 36 HB 0.0006 0.0103 -0.0072 525 VAL 36 CG1 -0.0004 0.0090 -0.0046 526 VAL 36 HG11 0.0000 0.0094 -0.0049 527 VAL 36 HG12 -0.0015 0.0081 -0.0040 528 VAL 36 HG13 0.0007 0.0094 -0.0036 529 VAL 36 CG2 -0.0009 0.0091 -0.0061 530 VAL 36 HG21 -0.0020 0.0082 -0.0053 531 VAL 36 HG22 -0.0010 0.0094 -0.0074 532 VAL 36 HG23 0.0002 0.0095 -0.0051 533 VAL 36 C -0.0018 0.0091 -0.0083 534 VAL 36 O -0.0007 0.0101 -0.0093 535 GLU 37 N 0.0001 0.0032 -0.0009 536 GLU 37 HN 0.0004 0.0031 -0.0009 537 GLU 37 CA 0.0007 0.0037 -0.0017 538 GLU 37 HA 0.0004 0.0037 -0.0015 539 GLU 37 CB 0.0021 0.0031 -0.0019 540 GLU 37 HB1 0.0026 0.0031 -0.0021 541 GLU 37 HB2 0.0022 0.0023 -0.0012 542 GLU 37 CG 0.0028 0.0034 -0.0026 543 GLU 37 HG1 0.0024 0.0035 -0.0024 544 GLU 37 HG2 0.0029 0.0042 -0.0034 545 GLU 37 CD 0.0042 0.0027 -0.0026 546 GLU 37 OE1 0.0049 0.0027 -0.0031 547 GLU 37 OE2 0.0044 0.0021 -0.0022 548 GLU 37 C 0.0005 0.0048 -0.0026 549 GLU 37 O 0.0006 0.0050 -0.0028 550 ASN 38 N -0.0175 0.0050 -0.0012 551 ASN 38 HN -0.0227 0.0078 0.0014 552 ASN 38 CA -0.0192 0.0004 -0.0091 553 ASN 38 HA -0.0139 -0.0014 -0.0100 554 ASN 38 CB -0.0278 0.0014 -0.0107 555 ASN 38 HB1 -0.0265 0.0029 -0.0078 556 ASN 38 HB2 -0.0296 -0.0021 -0.0170 557 ASN 38 CG -0.0358 0.0053 -0.0076 558 ASN 38 OD1 -0.0391 0.0043 -0.0103 559 ASN 38 ND2 -0.0393 0.0097 -0.0018 560 ASN 38 HD21 -0.0446 0.0121 0.0000 561 ASN 38 HD22 -0.0369 0.0104 0.0002 562 ASN 38 C -0.0186 -0.0035 -0.0152 563 ASN 38 O -0.0207 -0.0024 -0.0141 564 HIS 39 N -0.0145 -0.0069 -0.0037 565 HIS 39 HN -0.0153 -0.0070 -0.0051 566 HIS 39 CA -0.0119 -0.0065 -0.0061 567 HIS 39 HA -0.0126 -0.0066 -0.0056 568 HIS 39 CB -0.0073 -0.0056 -0.0051 569 HIS 39 HB1 -0.0053 -0.0053 -0.0075 570 HIS 39 HB2 -0.0067 -0.0055 -0.0050 571 HIS 39 CD2 -0.0057 -0.0051 0.0028 572 HIS 39 HD2 -0.0065 -0.0052 0.0038 573 HIS 39 CG -0.0061 -0.0053 -0.0010 574 HIS 39 NE2 -0.0043 -0.0047 0.0053 575 HIS 39 HE2 -0.0041 -0.0046 0.0084 576 HIS 39 ND1 -0.0048 -0.0050 -0.0010 577 HIS 39 HD1 -0.0046 -0.0051 -0.0033 578 HIS 39 CE1 -0.0038 -0.0047 0.0029 579 HIS 39 HE1 -0.0027 -0.0045 0.0041 580 HIS 39 C -0.0126 -0.0067 -0.0107 581 HIS 39 O -0.0098 -0.0063 -0.0133 582 GLY 40 N -0.0371 -0.0093 -0.0220 583 GLY 40 HN -0.0401 -0.0017 -0.0210 584 GLY 40 CA -0.0350 -0.0154 -0.0231 585 GLY 40 HA1 -0.0346 -0.0235 -0.0265 586 GLY 40 HA2 -0.0400 -0.0120 -0.0257 587 GLY 40 C -0.0262 -0.0147 -0.0155 588 GLY 40 O -0.0242 -0.0065 -0.0100 589 GLY 41 N -0.0144 -0.0358 0.0122 590 GLY 41 HN -0.0206 -0.0413 0.0169 591 GLY 41 CA -0.0029 -0.0370 0.0118 592 GLY 41 HA1 -0.0029 -0.0444 0.0172 593 GLY 41 HA2 0.0050 -0.0365 0.0105 594 GLY 41 C -0.0012 -0.0291 0.0058 595 GLY 41 O 0.0094 -0.0279 0.0037 596 LYS 42 N -0.0069 -0.0112 0.0023 597 LYS 42 HN -0.0075 -0.0110 0.0040 598 LYS 42 CA -0.0077 -0.0094 -0.0000 599 LYS 42 HA -0.0067 -0.0100 -0.0019 600 LYS 42 CB -0.0094 -0.0074 0.0002 601 LYS 42 HB1 -0.0101 -0.0059 -0.0012 602 LYS 42 HB2 -0.0102 -0.0070 0.0024 603 LYS 42 CG -0.0089 -0.0077 -0.0006 604 LYS 42 HG1 -0.0080 -0.0092 0.0008 605 LYS 42 HG2 -0.0079 -0.0081 -0.0027 606 LYS 42 CD -0.0105 -0.0056 -0.0007 607 LYS 42 HD1 -0.0099 -0.0059 -0.0018 608 LYS 42 HD2 -0.0112 -0.0042 -0.0020 609 LYS 42 CE -0.0118 -0.0049 0.0021 610 LYS 42 HE1 -0.0129 -0.0034 0.0017 611 LYS 42 HE2 -0.0123 -0.0046 0.0032 612 LYS 42 NZ -0.0109 -0.0067 0.0038 613 LYS 42 HZ1 -0.0118 -0.0061 0.0056 614 LYS 42 HZ2 -0.0103 -0.0071 0.0027 615 LYS 42 HZ3 -0.0099 -0.0081 0.0043 616 LYS 42 C -0.0080 -0.0088 -0.0003 617 LYS 42 O -0.0086 -0.0089 0.0017 618 VAL 43 N -0.0050 -0.0031 -0.0013 619 VAL 43 HN -0.0039 -0.0031 -0.0010 620 VAL 43 CA -0.0057 -0.0016 -0.0015 621 VAL 43 HA -0.0069 -0.0016 -0.0019 622 VAL 43 CB -0.0049 -0.0001 -0.0010 623 VAL 43 HB -0.0057 0.0009 -0.0012 624 VAL 43 CG1 -0.0047 -0.0001 -0.0010 625 VAL 43 HG11 -0.0043 0.0010 -0.0007 626 VAL 43 HG12 -0.0058 -0.0002 -0.0014 627 VAL 43 HG13 -0.0039 -0.0011 -0.0008 628 VAL 43 CG2 -0.0034 0.0000 -0.0005 629 VAL 43 HG21 -0.0028 0.0011 -0.0002 630 VAL 43 HG22 -0.0026 -0.0010 -0.0003 631 VAL 43 HG23 -0.0035 0.0001 -0.0005 632 VAL 43 C -0.0059 -0.0017 -0.0015 633 VAL 43 O -0.0052 -0.0026 -0.0014 634 ALA 44 N 0.0009 -0.0016 0.0006 635 ALA 44 HN 0.0007 -0.0015 0.0006 636 ALA 44 CA 0.0011 -0.0016 0.0007 637 ALA 44 HA 0.0014 -0.0018 0.0006 638 ALA 44 CB 0.0009 -0.0017 0.0005 639 ALA 44 HB1 0.0008 -0.0019 0.0003 640 ALA 44 HB2 0.0006 -0.0015 0.0006 641 ALA 44 HB3 0.0010 -0.0017 0.0006 642 ALA 44 C 0.0012 -0.0013 0.0010 643 ALA 44 O 0.0010 -0.0010 0.0011 644 LEU 45 N 0.0028 0.0022 -0.0015 645 LEU 45 HN 0.0027 0.0021 -0.0014 646 LEU 45 CA 0.0022 0.0009 -0.0011 647 LEU 45 HA 0.0023 0.0013 -0.0012 648 LEU 45 CB 0.0007 0.0004 -0.0001 649 LEU 45 HB1 0.0003 -0.0007 0.0002 650 LEU 45 HB2 0.0007 0.0000 -0.0001 651 LEU 45 CG -0.0003 0.0019 0.0008 652 LEU 45 HG 0.0001 0.0030 0.0006 653 LEU 45 CD1 -0.0018 0.0013 0.0018 654 LEU 45 HD11 -0.0025 0.0024 0.0024 655 LEU 45 HD12 -0.0017 0.0010 0.0018 656 LEU 45 HD13 -0.0022 0.0002 0.0021 657 LEU 45 CD2 -0.0004 0.0025 0.0009 658 LEU 45 HD21 -0.0003 0.0013 0.0007 659 LEU 45 HD22 0.0004 0.0034 0.0004 660 LEU 45 HD23 -0.0014 0.0030 0.0017 661 LEU 45 C 0.0031 -0.0007 -0.0019 662 LEU 45 O 0.0032 -0.0013 -0.0021 663 LYS 46 N 0.0100 0.0029 -0.0074 664 LYS 46 HN 0.0118 0.0044 -0.0075 665 LYS 46 CA 0.0092 0.0010 -0.0106 666 LYS 46 HA 0.0071 -0.0007 -0.0101 667 LYS 46 CB 0.0109 0.0017 -0.0129 668 LYS 46 HB1 0.0110 0.0024 -0.0112 669 LYS 46 HB2 0.0099 0.0000 -0.0149 670 LYS 46 CG 0.0139 0.0038 -0.0146 671 LYS 46 HG1 0.0139 0.0031 -0.0165 672 LYS 46 HG2 0.0149 0.0054 -0.0126 673 LYS 46 CD 0.0154 0.0044 -0.0164 674 LYS 46 HD1 0.0155 0.0053 -0.0143 675 LYS 46 HD2 0.0141 0.0027 -0.0180 676 LYS 46 CE 0.0182 0.0062 -0.0186 677 LYS 46 HE1 0.0181 0.0053 -0.0208 678 LYS 46 HE2 0.0195 0.0079 -0.0171 679 LYS 46 NZ 0.0194 0.0068 -0.0200 680 LYS 46 HZ1 0.0202 0.0082 -0.0180 681 LYS 46 HZ2 0.0210 0.0075 -0.0221 682 LYS 46 HZ3 0.0180 0.0053 -0.0205 683 LYS 46 C 0.0093 0.0004 -0.0126 684 LYS 46 O 0.0107 0.0018 -0.0122 685 THR 47 N 0.0112 0.0056 -0.0125 686 THR 47 HN 0.0097 0.0024 -0.0138 687 THR 47 CA 0.0109 0.0036 -0.0152 688 THR 47 HA 0.0106 0.0054 -0.0112 689 THR 47 CB 0.0071 -0.0037 -0.0168 690 THR 47 HB 0.0067 -0.0050 -0.0178 691 THR 47 OG1 0.0074 -0.0067 -0.0227 692 THR 47 HG1 0.0047 -0.0112 -0.0226 693 THR 47 CG2 0.0032 -0.0067 -0.0104 694 THR 47 HG21 0.0033 -0.0059 -0.0094 695 THR 47 HG22 0.0004 -0.0119 -0.0113 696 THR 47 HG23 0.0029 -0.0044 -0.0057 697 THR 47 C 0.0148 0.0064 -0.0218 698 THR 47 O 0.0176 0.0092 -0.0250 699 HIS 48 N 0.0127 0.0025 -0.0288 700 HIS 48 HN 0.0107 -0.0007 -0.0222 701 HIS 48 CA 0.0150 0.0053 -0.0368 702 HIS 48 HA 0.0165 0.0140 -0.0383 703 HIS 48 CB 0.0136 0.0028 -0.0323 704 HIS 48 HB1 0.0125 0.0079 -0.0248 705 HIS 48 HB2 0.0153 0.0052 -0.0382 706 HIS 48 CD2 0.0113 -0.0168 -0.0339 707 HIS 48 HD2 0.0130 -0.0161 -0.0406 708 HIS 48 CG 0.0113 -0.0091 -0.0294 709 HIS 48 NE2 0.0087 -0.0262 -0.0279 710 HIS 48 HE2 0.0079 -0.0333 -0.0288 711 HIS 48 ND1 0.0087 -0.0136 -0.0207 712 HIS 48 HD1 0.0080 -0.0097 -0.0159 713 HIS 48 CE1 0.0072 -0.0238 -0.0201 714 HIS 48 HE1 0.0050 -0.0298 -0.0142 715 HIS 48 C 0.0167 -0.0010 -0.0476 716 HIS 48 O 0.0193 0.0030 -0.0562 717 CYS 49 N 0.0304 -0.0067 -0.0709 718 CYS 49 HN 0.0211 -0.0119 -0.0549 719 CYS 49 CA 0.0301 -0.0199 -0.0906 720 CYS 49 HA 0.0387 -0.0169 -0.1084 721 CYS 49 CB 0.0143 -0.0456 -0.0893 722 CYS 49 HB1 0.0058 -0.0487 -0.0718 723 CYS 49 HB2 0.0120 -0.0491 -0.0885 724 CYS 49 SG 0.0128 -0.0651 -0.1155 725 CYS 49 HG1 0.0203 -0.0529 -0.1160 726 CYS 49 C 0.0332 -0.0129 -0.0878 727 CYS 49 O 0.0332 -0.0221 -0.1023 728 GLY 50 N 0.0221 -0.0062 -0.0469 729 GLY 50 HN 0.0243 -0.0044 -0.0448 730 GLY 50 CA 0.0248 -0.0029 -0.0400 731 GLY 50 HA1 0.0276 -0.0026 -0.0452 732 GLY 50 HA2 0.0302 0.0014 -0.0351 733 GLY 50 C 0.0165 -0.0058 -0.0321 734 GLY 50 O 0.0169 -0.0046 -0.0280 735 LYS 51 N 0.0081 0.0074 -0.0281 736 LYS 51 HN 0.0115 0.0109 -0.0320 737 LYS 51 CA 0.0014 0.0010 -0.0212 738 LYS 51 HA -0.0041 -0.0020 -0.0198 739 LYS 51 CB -0.0052 0.0009 -0.0256 740 LYS 51 HB1 -0.0107 -0.0042 -0.0204 741 LYS 51 HB2 0.0005 0.0033 -0.0259 742 LYS 51 CG -0.0119 0.0042 -0.0361 743 LYS 51 HG1 -0.0150 0.0046 -0.0389 744 LYS 51 HG2 -0.0069 0.0091 -0.0414 745 LYS 51 CD -0.0217 0.0004 -0.0362 746 LYS 51 HD1 -0.0188 -0.0003 -0.0328 747 LYS 51 HD2 -0.0268 -0.0043 -0.0312 748 LYS 51 CE -0.0280 0.0039 -0.0468 749 LYS 51 HE1 -0.0297 0.0055 -0.0507 750 LYS 51 HE2 -0.0234 0.0082 -0.0512 751 LYS 51 NZ -0.0385 -0.0003 -0.0465 752 LYS 51 HZ1 -0.0424 0.0023 -0.0538 753 LYS 51 HZ2 -0.0434 -0.0040 -0.0432 754 LYS 51 HZ3 -0.0376 -0.0023 -0.0422 755 LYS 51 C 0.0087 -0.0018 -0.0113 756 LYS 51 O 0.0171 0.0013 -0.0111 757 TYR 52 N 0.0032 -0.0055 -0.0049 758 TYR 52 HN 0.0025 -0.0048 -0.0039 759 TYR 52 CA 0.0037 -0.0052 -0.0034 760 TYR 52 HA 0.0051 -0.0061 -0.0044 761 TYR 52 CB 0.0048 -0.0045 -0.0004 762 TYR 52 HB1 0.0047 -0.0040 0.0008 763 TYR 52 HB2 0.0036 -0.0036 0.0005 764 TYR 52 CG 0.0077 -0.0056 -0.0001 765 TYR 52 CD1 0.0084 -0.0062 -0.0007 766 TYR 52 HD1 0.0069 -0.0058 -0.0015 767 TYR 52 CE1 0.0111 -0.0072 -0.0004 768 TYR 52 HE1 0.0116 -0.0077 -0.0009 769 TYR 52 CZ 0.0131 -0.0077 0.0007 770 TYR 52 OH 0.0158 -0.0088 0.0009 771 TYR 52 HH 0.0169 -0.0089 0.0018 772 TYR 52 CD2 0.0098 -0.0061 0.0010 773 TYR 52 HD2 0.0093 -0.0057 0.0015 774 TYR 52 CE2 0.0124 -0.0072 0.0014 775 TYR 52 HE2 0.0140 -0.0075 0.0022 776 TYR 52 C 0.0012 -0.0041 -0.0036 777 TYR 52 O -0.0010 -0.0030 -0.0032 778 LEU 53 N 0.0030 -0.0013 -0.0015 779 LEU 53 HN 0.0033 -0.0002 -0.0014 780 LEU 53 CA 0.0020 -0.0019 0.0001 781 LEU 53 HA 0.0016 -0.0033 -0.0001 782 LEU 53 CB 0.0015 -0.0012 0.0016 783 LEU 53 HB1 0.0009 -0.0015 0.0027 784 LEU 53 HB2 0.0020 0.0002 0.0016 785 LEU 53 CG 0.0013 -0.0020 0.0015 786 LEU 53 HG 0.0009 -0.0035 0.0012 787 LEU 53 CD1 0.0021 -0.0015 0.0001 788 LEU 53 HD11 0.0019 -0.0021 0.0002 789 LEU 53 HD12 0.0026 -0.0019 -0.0011 790 LEU 53 HD13 0.0025 -0.0001 0.0003 791 LEU 53 CD2 0.0006 -0.0016 0.0032 792 LEU 53 HD21 -0.0001 -0.0021 0.0042 793 LEU 53 HD22 0.0004 -0.0023 0.0031 794 LEU 53 HD23 0.0009 -0.0002 0.0035 795 LEU 53 C 0.0019 -0.0015 0.0005 796 LEU 53 O 0.0025 -0.0001 0.0004 797 SER 54 N 0.0034 -0.0010 0.0000 798 SER 54 HN 0.0028 -0.0012 -0.0005 799 SER 54 CA 0.0031 -0.0001 0.0008 800 SER 54 HA 0.0036 0.0001 0.0011 801 SER 54 CB 0.0034 0.0004 0.0013 802 SER 54 HB1 0.0030 0.0003 0.0009 803 SER 54 HB2 0.0043 -0.0000 0.0015 804 SER 54 OG 0.0033 0.0013 0.0021 805 SER 54 HG1 0.0038 0.0014 0.0025 806 SER 54 C 0.0020 0.0004 0.0004 807 SER 54 O 0.0014 0.0000 -0.0003 808 ILE 55 N 0.0005 -0.0002 0.0032 809 ILE 55 HN 0.0006 0.0008 0.0024 810 ILE 55 CA 0.0001 -0.0006 0.0039 811 ILE 55 HA -0.0001 -0.0016 0.0048 812 ILE 55 CB -0.0011 0.0007 0.0042 813 ILE 55 HB -0.0009 0.0016 0.0033 814 ILE 55 CG2 -0.0022 0.0013 0.0047 815 ILE 55 HG21 -0.0024 0.0004 0.0056 816 ILE 55 HG22 -0.0019 0.0019 0.0040 817 ILE 55 HG23 -0.0032 0.0022 0.0051 818 ILE 55 CG1 -0.0018 0.0001 0.0052 819 ILE 55 HG11 -0.0011 -0.0000 0.0047 820 ILE 55 HG12 -0.0028 0.0010 0.0055 821 ILE 55 CD -0.0019 -0.0015 0.0064 822 ILE 55 HD1 -0.0009 -0.0024 0.0060 823 ILE 55 HD2 -0.0024 -0.0015 0.0069 824 ILE 55 HD3 -0.0024 -0.0018 0.0071 825 ILE 55 C 0.0013 -0.0012 0.0031 826 ILE 55 O 0.0012 -0.0016 0.0035 827 GLY 56 N 0.0063 0.0034 0.0074 828 GLY 56 HN 0.0073 0.0039 0.0067 829 GLY 56 CA 0.0069 0.0024 0.0066 830 GLY 56 HA1 0.0068 0.0006 0.0063 831 GLY 56 HA2 0.0084 0.0032 0.0057 832 GLY 56 C 0.0059 0.0029 0.0076 833 GLY 56 O 0.0055 0.0048 0.0084 834 ASP 57 N 0.0103 -0.0134 0.0163 835 ASP 57 HN 0.0126 -0.0190 0.0136 836 ASP 57 CA 0.0067 -0.0118 0.0188 837 ASP 57 HA 0.0074 -0.0048 0.0201 838 ASP 57 CB 0.0107 -0.0168 0.0152 839 ASP 57 HB1 0.0081 -0.0159 0.0170 840 ASP 57 HB2 0.0101 -0.0240 0.0139 841 ASP 57 CG 0.0194 -0.0138 0.0106 842 ASP 57 OD1 0.0223 -0.0069 0.0105 843 ASP 57 OD2 0.0231 -0.0185 0.0073 844 ASP 57 C -0.0020 -0.0153 0.0233 845 ASP 57 O -0.0056 -0.0161 0.0253 846 HIS 58 N -0.0091 -0.0247 0.0132 847 HIS 58 HN -0.0073 -0.0217 0.0120 848 HIS 58 CA -0.0084 -0.0252 0.0149 849 HIS 58 HA -0.0089 -0.0282 0.0181 850 HIS 58 CB -0.0116 -0.0256 0.0110 851 HIS 58 HB1 -0.0116 -0.0229 0.0076 852 HIS 58 HB2 -0.0148 -0.0286 0.0106 853 HIS 58 CD2 -0.0109 -0.0232 0.0090 854 HIS 58 HD2 -0.0110 -0.0206 0.0054 855 HIS 58 CG -0.0111 -0.0257 0.0119 856 HIS 58 NE2 -0.0105 -0.0247 0.0114 857 HIS 58 HE2 -0.0104 -0.0237 0.0102 858 HIS 58 ND1 -0.0108 -0.0286 0.0161 859 HIS 58 HD1 -0.0108 -0.0308 0.0189 860 HIS 58 CE1 -0.0104 -0.0279 0.0157 861 HIS 58 HE1 -0.0102 -0.0297 0.0183 862 HIS 58 C -0.0040 -0.0217 0.0164 863 HIS 58 O -0.0014 -0.0184 0.0158 864 LYS 59 N -0.0049 -0.0249 0.0073 865 LYS 59 HN -0.0012 -0.0261 0.0075 866 LYS 59 CA 0.0016 -0.0210 0.0100 867 LYS 59 HA 0.0002 -0.0257 0.0078 868 LYS 59 CB 0.0139 -0.0219 0.0117 869 LYS 59 HB1 0.0186 -0.0183 0.0140 870 LYS 59 HB2 0.0152 -0.0173 0.0137 871 LYS 59 CG 0.0188 -0.0330 0.0082 872 LYS 59 HG1 0.0277 -0.0327 0.0099 873 LYS 59 HG2 0.0154 -0.0359 0.0065 874 LYS 59 CD 0.0163 -0.0406 0.0048 875 LYS 59 HD1 0.0209 -0.0480 0.0027 876 LYS 59 HD2 0.0075 -0.0421 0.0027 877 LYS 59 CE 0.0186 -0.0373 0.0065 878 LYS 59 HE1 0.0169 -0.0437 0.0038 879 LYS 59 HE2 0.0133 -0.0304 0.0083 880 LYS 59 NZ 0.0299 -0.0347 0.0095 881 LYS 59 HZ1 0.0352 -0.0406 0.0081 882 LYS 59 HZ2 0.0314 -0.0281 0.0123 883 LYS 59 HZ3 0.0314 -0.0330 0.0104 884 LYS 59 C -0.0013 -0.0101 0.0137 885 LYS 59 O -0.0002 -0.0078 0.0148 886 GLN 60 N 0.0037 -0.0049 0.0097 887 GLN 60 HN 0.0018 -0.0060 0.0095 888 GLN 60 CA 0.0037 -0.0010 0.0088 889 GLN 60 HA 0.0063 -0.0000 0.0093 890 GLN 60 CB 0.0028 0.0013 0.0080 891 GLN 60 HB1 0.0030 0.0043 0.0073 892 GLN 60 HB2 -0.0002 0.0006 0.0073 893 GLN 60 CG 0.0053 0.0007 0.0088 894 GLN 60 HG1 0.0049 0.0029 0.0082 895 GLN 60 HG2 0.0044 -0.0020 0.0092 896 GLN 60 CD 0.0094 0.0005 0.0100 897 GLN 60 OE1 0.0108 -0.0025 0.0111 898 GLN 60 NE2 0.0113 0.0037 0.0097 899 GLN 60 HE21 0.0101 0.0061 0.0088 900 GLN 60 HE22 0.0141 0.0037 0.0104 901 GLN 60 C 0.0008 -0.0004 0.0079 902 GLN 60 O -0.0022 -0.0021 0.0075 903 VAL 61 N 0.0030 0.0005 0.0050 904 VAL 61 HN 0.0026 0.0004 0.0057 905 VAL 61 CA 0.0029 0.0011 0.0043 906 VAL 61 HA 0.0029 0.0017 0.0036 907 VAL 61 CB 0.0021 0.0017 0.0049 908 VAL 61 HB 0.0020 0.0012 0.0057 909 VAL 61 CG1 0.0020 0.0024 0.0043 910 VAL 61 HG11 0.0020 0.0029 0.0035 911 VAL 61 HG12 0.0013 0.0028 0.0047 912 VAL 61 HG13 0.0024 0.0019 0.0041 913 VAL 61 CG2 0.0013 0.0024 0.0052 914 VAL 61 HG21 0.0007 0.0029 0.0056 915 VAL 61 HG22 0.0014 0.0029 0.0044 916 VAL 61 HG23 0.0013 0.0020 0.0057 917 VAL 61 C 0.0037 0.0006 0.0038 918 VAL 61 O 0.0040 -0.0002 0.0043 919 TYR 62 N 0.0069 -0.0019 -0.0019 920 TYR 62 HN 0.0040 -0.0001 -0.0064 921 TYR 62 CA 0.0109 -0.0031 -0.0013 922 TYR 62 HA 0.0148 -0.0051 0.0029 923 TYR 62 CB 0.0151 -0.0023 -0.0087 924 TYR 62 HB1 0.0113 -0.0003 -0.0129 925 TYR 62 HB2 0.0177 -0.0024 -0.0109 926 TYR 62 CG 0.0211 -0.0041 -0.0077 927 TYR 62 CD1 0.0204 -0.0034 -0.0096 928 TYR 62 HD1 0.0154 -0.0016 -0.0119 929 TYR 62 CE1 0.0260 -0.0051 -0.0083 930 TYR 62 HE1 0.0254 -0.0047 -0.0096 931 TYR 62 CZ 0.0324 -0.0075 -0.0052 932 TYR 62 OH 0.0378 -0.0092 -0.0038 933 TYR 62 HH 0.0406 -0.0109 0.0003 934 TYR 62 CD2 0.0276 -0.0064 -0.0047 935 TYR 62 HD2 0.0282 -0.0070 -0.0032 936 TYR 62 CE2 0.0332 -0.0082 -0.0034 937 TYR 62 HE2 0.0381 -0.0100 -0.0009 938 TYR 62 C 0.0055 -0.0023 0.0011 939 TYR 62 O -0.0009 -0.0003 -0.0005 940 LEU 63 N 0.0070 -0.0066 -0.0052 941 LEU 63 HN 0.0083 -0.0075 -0.0049 942 LEU 63 CA 0.0066 -0.0065 -0.0049 943 LEU 63 HA 0.0053 -0.0054 -0.0053 944 LEU 63 CB 0.0062 -0.0080 -0.0028 945 LEU 63 HB1 0.0077 -0.0091 -0.0026 946 LEU 63 HB2 0.0054 -0.0082 -0.0019 947 LEU 63 CG 0.0049 -0.0077 -0.0023 948 LEU 63 HG 0.0055 -0.0072 -0.0033 949 LEU 63 CD1 0.0026 -0.0065 -0.0021 950 LEU 63 HD11 0.0020 -0.0070 -0.0011 951 LEU 63 HD12 0.0017 -0.0063 -0.0017 952 LEU 63 HD13 0.0025 -0.0053 -0.0034 953 LEU 63 CD2 0.0051 -0.0093 -0.0004 954 LEU 63 HD21 0.0041 -0.0091 0.0001 955 LEU 63 HD22 0.0047 -0.0099 0.0006 956 LEU 63 HD23 0.0067 -0.0101 -0.0006 957 LEU 63 C 0.0084 -0.0066 -0.0061 958 LEU 63 O 0.0102 -0.0077 -0.0060 959 SER 64 N -0.0059 -0.0043 -0.0048 960 SER 64 HN -0.0025 -0.0049 -0.0042 961 SER 64 CA -0.0087 -0.0051 -0.0027 962 SER 64 HA -0.0122 -0.0048 -0.0026 963 SER 64 CB -0.0072 -0.0075 0.0018 964 SER 64 HB1 -0.0036 -0.0079 0.0018 965 SER 64 HB2 -0.0079 -0.0083 0.0033 966 SER 64 OG -0.0097 -0.0085 0.0041 967 SER 64 HG1 -0.0081 -0.0084 0.0036 968 SER 64 C -0.0084 -0.0041 -0.0047 969 SER 64 O -0.0050 -0.0034 -0.0066 970 HIS 65 N -0.0396 -0.0046 -0.0029 971 HIS 65 HN -0.0554 -0.0077 0.0073 972 HIS 65 CA -0.0369 -0.0015 -0.0113 973 HIS 65 HA -0.0220 0.0033 -0.0256 974 HIS 65 CB -0.0625 0.0040 -0.0216 975 HIS 65 HB1 -0.0779 -0.0008 -0.0071 976 HIS 65 HB2 -0.0693 0.0103 -0.0366 977 HIS 65 CD2 -0.0690 0.0047 -0.0223 978 HIS 65 HD2 -0.0815 -0.0009 -0.0064 979 HIS 65 CG -0.0592 0.0076 -0.0311 980 HIS 65 NE2 -0.0594 0.0101 -0.0375 981 HIS 65 HE2 -0.0622 0.0094 -0.0354 982 HIS 65 ND1 -0.0437 0.0148 -0.0519 983 HIS 65 HD1 -0.0345 0.0184 -0.0622 984 HIS 65 CE1 -0.0442 0.0160 -0.0548 985 HIS 65 HE1 -0.0335 0.0209 -0.0690 986 HIS 65 C -0.0277 -0.0102 0.0096 987 HIS 65 O -0.0413 -0.0167 0.0281 988 HIS 66 N -0.0064 0.0067 0.0039 989 HIS 66 HN -0.0018 -0.0050 -0.0129 990 HIS 66 CA 0.0102 -0.0009 0.0243 991 HIS 66 HA 0.0242 -0.0186 0.0152 992 HIS 66 CB 0.0190 0.0033 0.0539 993 HIS 66 HB1 0.0326 -0.0041 0.0680 994 HIS 66 HB2 0.0055 0.0210 0.0643 995 HIS 66 CD2 0.0291 -0.0005 0.0685 996 HIS 66 HD2 0.0225 0.0138 0.0866 997 HIS 66 CG 0.0287 -0.0071 0.0521 998 HIS 66 NE2 0.0406 -0.0163 0.0580 999 HIS 66 HE2 0.0452 -0.0171 0.0666 1000 HIS 66 ND1 0.0396 -0.0266 0.0316 1001 HIS 66 HD1 0.0419 -0.0354 0.0165 1002 HIS 66 CE1 0.0464 -0.0315 0.0359 1003 HIS 66 HE1 0.0558 -0.0462 0.0232 1004 HIS 66 C 0.0036 0.0064 0.0261 1005 HIS 66 O -0.0147 0.0187 0.0127 1006 LEU 67 N 0.0063 -0.0012 0.0176 1007 LEU 67 HN 0.0070 -0.0028 0.0192 1008 LEU 67 CA 0.0057 -0.0007 0.0159 1009 LEU 67 HA 0.0050 -0.0006 0.0135 1010 LEU 67 CB 0.0062 -0.0036 0.0159 1011 LEU 67 HB1 0.0069 -0.0039 0.0183 1012 LEU 67 HB2 0.0063 -0.0057 0.0152 1013 LEU 67 CG 0.0056 -0.0036 0.0138 1014 LEU 67 HG 0.0056 -0.0019 0.0148 1015 LEU 67 CD1 0.0045 -0.0025 0.0106 1016 LEU 67 HD11 0.0041 0.0001 0.0106 1017 LEU 67 HD12 0.0044 -0.0038 0.0095 1018 LEU 67 HD13 0.0041 -0.0028 0.0091 1019 LEU 67 CD2 0.0060 -0.0069 0.0135 1020 LEU 67 HD21 0.0056 -0.0069 0.0121 1021 LEU 67 HD22 0.0059 -0.0086 0.0124 1022 LEU 67 HD23 0.0068 -0.0077 0.0158 1023 LEU 67 C 0.0055 0.0024 0.0167 1024 LEU 67 O 0.0061 0.0029 0.0191 1025 HIS 68 N 0.0010 -0.0013 0.0224 1026 HIS 68 HN 0.0016 -0.0006 0.0203 1027 HIS 68 CA 0.0009 0.0005 0.0223 1028 HIS 68 HA -0.0001 0.0016 0.0251 1029 HIS 68 CB 0.0014 0.0040 0.0195 1030 HIS 68 HB1 0.0024 0.0030 0.0166 1031 HIS 68 HB2 0.0010 0.0060 0.0202 1032 HIS 68 CD2 0.0019 0.0076 0.0168 1033 HIS 68 HD2 0.0029 0.0073 0.0138 1034 HIS 68 CG 0.0012 0.0062 0.0196 1035 HIS 68 NE2 0.0012 0.0095 0.0185 1036 HIS 68 HE2 0.0015 0.0104 0.0173 1037 HIS 68 ND1 0.0000 0.0072 0.0230 1038 HIS 68 HD1 -0.0007 0.0065 0.0256 1039 HIS 68 CE1 0.0001 0.0091 0.0222 1040 HIS 68 HE1 -0.0006 0.0103 0.0242 1041 HIS 68 C 0.0014 -0.0024 0.0216 1042 HIS 68 O 0.0023 -0.0051 0.0195 1043 GLY 69 N 0.0009 0.0086 0.0314 1044 GLY 69 HN -0.0001 0.0134 0.0343 1045 GLY 69 CA 0.0016 0.0066 0.0326 1046 GLY 69 HA1 0.0012 0.0100 0.0376 1047 GLY 69 HA2 0.0034 0.0004 0.0334 1048 GLY 69 C 0.0002 0.0083 0.0256 1049 GLY 69 O 0.0012 0.0036 0.0231 1050 ASP 70 N 0.0079 0.0071 0.0207 1051 ASP 70 HN 0.0088 0.0090 0.0226 1052 ASP 70 CA 0.0063 0.0089 0.0161 1053 ASP 70 HA 0.0060 0.0087 0.0152 1054 ASP 70 CB 0.0065 0.0143 0.0154 1055 ASP 70 HB1 0.0054 0.0159 0.0120 1056 ASP 70 HB2 0.0067 0.0147 0.0158 1057 ASP 70 CG 0.0082 0.0172 0.0190 1058 ASP 70 OD1 0.0081 0.0176 0.0188 1059 ASP 70 OD2 0.0096 0.0188 0.0222 1060 ASP 70 C 0.0047 0.0059 0.0127 1061 ASP 70 O 0.0049 0.0036 0.0138 1062 HIS 71 N 0.0059 0.0080 0.0108 1063 HIS 71 HN 0.0054 0.0110 0.0115 1064 HIS 71 CA 0.0028 0.0055 0.0086 1065 HIS 71 HA 0.0023 0.0065 0.0086 1066 HIS 71 CB -0.0011 0.0069 0.0071 1067 HIS 71 HB1 -0.0036 0.0053 0.0055 1068 HIS 71 HB2 -0.0008 0.0061 0.0071 1069 HIS 71 CD2 -0.0027 0.0146 0.0087 1070 HIS 71 HD2 -0.0023 0.0143 0.0088 1071 HIS 71 CG -0.0023 0.0115 0.0080 1072 HIS 71 NE2 -0.0038 0.0183 0.0093 1073 HIS 71 HE2 -0.0042 0.0212 0.0100 1074 HIS 71 ND1 -0.0031 0.0133 0.0081 1075 HIS 71 HD1 -0.0031 0.0118 0.0077 1076 HIS 71 CE1 -0.0040 0.0174 0.0089 1077 HIS 71 HE1 -0.0048 0.0197 0.0092 1078 HIS 71 C 0.0037 0.0007 0.0076 1079 HIS 71 O 0.0018 -0.0015 0.0060 1080 SER 72 N 0.0018 0.0002 0.0061 1081 SER 72 HN 0.0021 0.0004 0.0066 1082 SER 72 CA 0.0019 -0.0016 0.0066 1083 SER 72 HA 0.0013 -0.0018 0.0058 1084 SER 72 CB 0.0030 -0.0017 0.0083 1085 SER 72 HB1 0.0030 -0.0030 0.0086 1086 SER 72 HB2 0.0036 -0.0017 0.0092 1087 SER 72 OG 0.0034 -0.0002 0.0086 1088 SER 72 HG1 0.0036 0.0009 0.0087 1089 SER 72 C 0.0016 -0.0033 0.0065 1090 SER 72 O 0.0017 -0.0049 0.0070 1091 LEU 73 N -0.0047 -0.0039 0.0035 1092 LEU 73 HN -0.0044 -0.0037 0.0030 1093 LEU 73 CA -0.0053 -0.0048 0.0033 1094 LEU 73 HA -0.0056 -0.0050 0.0039 1095 LEU 73 CB -0.0056 -0.0055 0.0031 1096 LEU 73 HB1 -0.0061 -0.0062 0.0030 1097 LEU 73 HB2 -0.0053 -0.0055 0.0023 1098 LEU 73 CG -0.0059 -0.0054 0.0039 1099 LEU 73 HG -0.0054 -0.0047 0.0039 1100 LEU 73 CD1 -0.0062 -0.0061 0.0035 1101 LEU 73 HD11 -0.0063 -0.0060 0.0041 1102 LEU 73 HD12 -0.0059 -0.0061 0.0028 1103 LEU 73 HD13 -0.0066 -0.0068 0.0035 1104 LEU 73 CD2 -0.0063 -0.0055 0.0049 1105 LEU 73 HD21 -0.0061 -0.0050 0.0052 1106 LEU 73 HD22 -0.0064 -0.0054 0.0055 1107 LEU 73 HD23 -0.0067 -0.0062 0.0049 1108 LEU 73 C -0.0050 -0.0050 0.0023 1109 LEU 73 O -0.0045 -0.0047 0.0016 1110 PHE 74 N -0.0051 -0.0007 0.0009 1111 PHE 74 HN -0.0053 -0.0013 0.0017 1112 PHE 74 CA -0.0061 -0.0009 0.0003 1113 PHE 74 HA -0.0059 -0.0002 -0.0005 1114 PHE 74 CB -0.0061 -0.0017 0.0013 1115 PHE 74 HB1 -0.0069 -0.0020 0.0009 1116 PHE 74 HB2 -0.0062 -0.0024 0.0022 1117 PHE 74 CG -0.0049 -0.0010 0.0017 1118 PHE 74 CD1 -0.0038 -0.0010 0.0028 1119 PHE 74 HD1 -0.0038 -0.0014 0.0033 1120 PHE 74 CE1 -0.0027 -0.0004 0.0032 1121 PHE 74 HE1 -0.0018 -0.0004 0.0040 1122 PHE 74 CZ -0.0026 0.0001 0.0025 1123 PHE 74 HZ -0.0017 0.0006 0.0028 1124 PHE 74 CD2 -0.0048 -0.0005 0.0010 1125 PHE 74 HD2 -0.0056 -0.0005 0.0002 1126 PHE 74 CE2 -0.0037 0.0001 0.0014 1127 PHE 74 HE2 -0.0036 0.0005 0.0009 1128 PHE 74 C -0.0075 -0.0016 -0.0003 1129 PHE 74 O -0.0078 -0.0020 0.0000 1130 HIS 75 N -0.0103 -0.0025 -0.0005 1131 HIS 75 HN -0.0092 -0.0017 -0.0009 1132 HIS 75 CA -0.0111 -0.0038 -0.0014 1133 HIS 75 HA -0.0123 -0.0045 -0.0008 1134 HIS 75 CB -0.0108 -0.0045 -0.0034 1135 HIS 75 HB1 -0.0095 -0.0038 -0.0041 1136 HIS 75 HB2 -0.0110 -0.0047 -0.0034 1137 HIS 75 CD2 -0.0126 -0.0066 -0.0043 1138 HIS 75 HD2 -0.0132 -0.0065 -0.0031 1139 HIS 75 CG -0.0115 -0.0059 -0.0046 1140 HIS 75 NE2 -0.0129 -0.0078 -0.0059 1141 HIS 75 HE2 -0.0136 -0.0085 -0.0061 1142 HIS 75 ND1 -0.0112 -0.0065 -0.0064 1143 HIS 75 HD1 -0.0104 -0.0062 -0.0070 1144 HIS 75 CE1 -0.0120 -0.0076 -0.0071 1145 HIS 75 HE1 -0.0120 -0.0084 -0.0085 1146 HIS 75 C -0.0108 -0.0034 -0.0014 1147 HIS 75 O -0.0094 -0.0025 -0.0019 1148 LEU 76 N -0.0073 0.0013 -0.0017 1149 LEU 76 HN -0.0078 0.0013 -0.0019 1150 LEU 76 CA -0.0069 0.0019 -0.0013 1151 LEU 76 HA -0.0064 0.0020 -0.0010 1152 LEU 76 CB -0.0075 0.0026 -0.0010 1153 LEU 76 HB1 -0.0073 0.0031 -0.0007 1154 LEU 76 HB2 -0.0080 0.0025 -0.0012 1155 LEU 76 CG -0.0080 0.0028 -0.0011 1156 LEU 76 HG -0.0083 0.0023 -0.0014 1157 LEU 76 CD1 -0.0087 0.0034 -0.0009 1158 LEU 76 HD11 -0.0085 0.0039 -0.0006 1159 LEU 76 HD12 -0.0091 0.0036 -0.0009 1160 LEU 76 HD13 -0.0092 0.0033 -0.0011 1161 LEU 76 CD2 -0.0075 0.0030 -0.0008 1162 LEU 76 HD21 -0.0070 0.0026 -0.0009 1163 LEU 76 HD22 -0.0079 0.0032 -0.0008 1164 LEU 76 HD23 -0.0072 0.0035 -0.0004 1165 LEU 76 C -0.0066 0.0017 -0.0013 1166 LEU 76 O -0.0070 0.0016 -0.0015 1167 GLU 77 N -0.0079 0.0025 -0.0034 1168 GLU 77 HN -0.0077 0.0027 -0.0033 1169 GLU 77 CA -0.0069 0.0022 -0.0031 1170 GLU 77 HA -0.0072 0.0019 -0.0032 1171 GLU 77 CB -0.0061 0.0013 -0.0028 1172 GLU 77 HB1 -0.0054 0.0012 -0.0026 1173 GLU 77 HB2 -0.0058 0.0016 -0.0028 1174 GLU 77 CG -0.0068 0.0001 -0.0030 1175 GLU 77 HG1 -0.0073 0.0002 -0.0031 1176 GLU 77 HG2 -0.0073 -0.0000 -0.0032 1177 GLU 77 CD -0.0060 -0.0009 -0.0028 1178 GLU 77 OE1 -0.0054 -0.0011 -0.0026 1179 GLU 77 OE2 -0.0061 -0.0017 -0.0028 1180 GLU 77 C -0.0063 0.0034 -0.0029 1181 GLU 77 O -0.0058 0.0040 -0.0028 1182 HIS 78 N 0.0005 0.0064 -0.0015 1183 HIS 78 HN 0.0010 0.0066 -0.0009 1184 HIS 78 CA 0.0012 0.0067 -0.0026 1185 HIS 78 HA 0.0005 0.0065 -0.0033 1186 HIS 78 CB 0.0023 0.0071 -0.0033 1187 HIS 78 HB1 0.0030 0.0073 -0.0039 1188 HIS 78 HB2 0.0028 0.0073 -0.0026 1189 HIS 78 CD2 0.0014 0.0068 -0.0044 1190 HIS 78 HD2 0.0015 0.0068 -0.0036 1191 HIS 78 CG 0.0017 0.0069 -0.0044 1192 HIS 78 NE2 0.0009 0.0066 -0.0058 1193 HIS 78 HE2 0.0007 0.0066 -0.0061 1194 HIS 78 ND1 0.0014 0.0068 -0.0058 1195 HIS 78 HD1 0.0015 0.0068 -0.0061 1196 HIS 78 CE1 0.0009 0.0067 -0.0065 1197 HIS 78 HE1 0.0006 0.0066 -0.0076 1198 HIS 78 C 0.0019 0.0069 -0.0019 1199 HIS 78 O 0.0026 0.0071 -0.0008 1200 HIS 79 N 0.0053 0.0083 -0.0058 1201 HIS 79 HN 0.0041 0.0050 -0.0082 1202 HIS 79 CA 0.0041 0.0096 -0.0037 1203 HIS 79 HA 0.0069 0.0129 -0.0023 1204 HIS 79 CB -0.0016 0.0096 -0.0001 1205 HIS 79 HB1 -0.0025 0.0101 0.0010 1206 HIS 79 HB2 -0.0044 0.0064 -0.0015 1207 HIS 79 CD2 -0.0059 0.0128 0.0057 1208 HIS 79 HD2 -0.0085 0.0099 0.0045 1209 HIS 79 CG -0.0025 0.0131 0.0039 1210 HIS 79 NE2 -0.0058 0.0170 0.0098 1211 HIS 79 HE2 -0.0079 0.0179 0.0120 1212 HIS 79 ND1 -0.0003 0.0174 0.0067 1213 HIS 79 HD1 0.0023 0.0186 0.0063 1214 HIS 79 CE1 -0.0024 0.0196 0.0102 1215 HIS 79 HE1 -0.0014 0.0232 0.0131 1216 HIS 79 C 0.0043 0.0064 -0.0070 1217 HIS 79 O 0.0013 0.0025 -0.0089 1218 GLY 80 N 0.0077 0.0097 -0.0067 1219 GLY 80 HN 0.0109 0.0123 -0.0040 1220 GLY 80 CA 0.0088 0.0047 -0.0119 1221 GLY 80 HA1 0.0040 0.0034 -0.0131 1222 GLY 80 HA2 0.0133 0.0048 -0.0118 1223 GLY 80 C 0.0107 0.0010 -0.0156 1224 GLY 80 O 0.0156 0.0019 -0.0148 1225 GLY 81 N 0.0019 -0.0127 -0.0128 1226 GLY 81 HN -0.0002 -0.0130 -0.0168 1227 GLY 81 CA 0.0028 -0.0121 -0.0108 1228 GLY 81 HA1 0.0018 -0.0141 -0.0141 1229 GLY 81 HA2 0.0056 -0.0142 -0.0072 1230 GLY 81 C 0.0012 -0.0058 -0.0090 1231 GLY 81 O 0.0022 -0.0047 -0.0065 1232 LYS 82 N -0.0017 -0.0044 -0.0087 1233 LYS 82 HN -0.0025 -0.0046 -0.0098 1234 LYS 82 CA -0.0013 -0.0018 -0.0086 1235 LYS 82 HA -0.0008 -0.0019 -0.0081 1236 LYS 82 CB -0.0028 -0.0003 -0.0107 1237 LYS 82 HB1 -0.0025 0.0017 -0.0106 1238 LYS 82 HB2 -0.0032 -0.0002 -0.0112 1239 LYS 82 CG -0.0043 -0.0016 -0.0123 1240 LYS 82 HG1 -0.0045 -0.0037 -0.0123 1241 LYS 82 HG2 -0.0039 -0.0015 -0.0118 1242 LYS 82 CD -0.0059 -0.0003 -0.0144 1243 LYS 82 HD1 -0.0057 0.0018 -0.0145 1244 LYS 82 HD2 -0.0062 -0.0001 -0.0148 1245 LYS 82 CE -0.0074 -0.0018 -0.0161 1246 LYS 82 HE1 -0.0085 -0.0008 -0.0176 1247 LYS 82 HE2 -0.0076 -0.0038 -0.0161 1248 LYS 82 NZ -0.0072 -0.0020 -0.0158 1249 LYS 82 HZ1 -0.0069 -0.0001 -0.0157 1250 LYS 82 HZ2 -0.0062 -0.0030 -0.0144 1251 LYS 82 HZ3 -0.0082 -0.0029 -0.0169 1252 LYS 82 C 0.0002 -0.0003 -0.0071 1253 LYS 82 O 0.0003 -0.0005 -0.0068 1254 VAL 83 N -0.0009 0.0040 -0.0030 1255 VAL 83 HN -0.0007 0.0042 -0.0028 1256 VAL 83 CA -0.0007 0.0042 -0.0030 1257 VAL 83 HA -0.0010 0.0039 -0.0034 1258 VAL 83 CB -0.0008 0.0040 -0.0022 1259 VAL 83 HB -0.0012 0.0035 -0.0021 1260 VAL 83 CG1 -0.0004 0.0043 -0.0015 1261 VAL 83 HG11 -0.0005 0.0042 -0.0009 1262 VAL 83 HG12 -0.0005 0.0042 -0.0015 1263 VAL 83 HG13 0.0000 0.0048 -0.0016 1264 VAL 83 CG2 -0.0007 0.0041 -0.0023 1265 VAL 83 HG21 -0.0008 0.0040 -0.0017 1266 VAL 83 HG22 -0.0002 0.0046 -0.0023 1267 VAL 83 HG23 -0.0009 0.0039 -0.0028 1268 VAL 83 C -0.0002 0.0048 -0.0033 1269 VAL 83 O 0.0002 0.0052 -0.0030 1270 SER 84 N -0.0040 0.0040 -0.0018 1271 SER 84 HN -0.0039 0.0033 -0.0016 1272 SER 84 CA -0.0043 0.0035 -0.0016 1273 SER 84 HA -0.0044 0.0044 -0.0018 1274 SER 84 CB -0.0032 0.0026 -0.0015 1275 SER 84 HB1 -0.0031 0.0017 -0.0012 1276 SER 84 HB2 -0.0023 0.0031 -0.0018 1277 SER 84 OG -0.0035 0.0023 -0.0013 1278 SER 84 HG1 -0.0027 0.0018 -0.0013 1279 SER 84 C -0.0056 0.0029 -0.0012 1280 SER 84 O -0.0060 0.0023 -0.0010 1281 ILE 85 N -0.0056 0.0020 0.0011 1282 ILE 85 HN -0.0056 0.0023 0.0009 1283 ILE 85 CA -0.0062 0.0020 0.0014 1284 ILE 85 HA -0.0062 0.0018 0.0016 1285 ILE 85 CB -0.0066 0.0025 0.0012 1286 ILE 85 HB -0.0067 0.0027 0.0011 1287 ILE 85 CG2 -0.0072 0.0025 0.0015 1288 ILE 85 HG21 -0.0075 0.0029 0.0014 1289 ILE 85 HG22 -0.0074 0.0023 0.0018 1290 ILE 85 HG23 -0.0071 0.0023 0.0017 1291 ILE 85 CG1 -0.0063 0.0029 0.0009 1292 ILE 85 HG11 -0.0067 0.0032 0.0007 1293 ILE 85 HG12 -0.0060 0.0029 0.0006 1294 ILE 85 CD -0.0062 0.0026 0.0010 1295 ILE 85 HD1 -0.0060 0.0028 0.0007 1296 ILE 85 HD2 -0.0066 0.0026 0.0012 1297 ILE 85 HD3 -0.0059 0.0022 0.0011 1298 ILE 85 C -0.0064 0.0018 0.0017 1299 ILE 85 O -0.0064 0.0020 0.0016 1300 LYS 86 N -0.0118 -0.0000 -0.0005 1301 LYS 86 HN -0.0127 -0.0006 -0.0003 1302 LYS 86 CA -0.0109 0.0002 -0.0016 1303 LYS 86 HA -0.0099 0.0009 -0.0015 1304 LYS 86 CB -0.0111 -0.0004 -0.0033 1305 LYS 86 HB1 -0.0110 -0.0004 -0.0034 1306 LYS 86 HB2 -0.0103 -0.0001 -0.0040 1307 LYS 86 CG -0.0124 -0.0014 -0.0037 1308 LYS 86 HG1 -0.0125 -0.0014 -0.0037 1309 LYS 86 HG2 -0.0132 -0.0017 -0.0029 1310 LYS 86 CD -0.0125 -0.0019 -0.0053 1311 LYS 86 HD1 -0.0125 -0.0019 -0.0053 1312 LYS 86 HD2 -0.0116 -0.0015 -0.0061 1313 LYS 86 CE -0.0137 -0.0029 -0.0059 1314 LYS 86 HE1 -0.0137 -0.0029 -0.0061 1315 LYS 86 HE2 -0.0146 -0.0032 -0.0051 1316 LYS 86 NZ -0.0138 -0.0034 -0.0074 1317 LYS 86 HZ1 -0.0129 -0.0029 -0.0078 1318 LYS 86 HZ2 -0.0144 -0.0037 -0.0071 1319 LYS 86 HZ3 -0.0142 -0.0039 -0.0081 1320 LYS 86 C -0.0111 0.0002 -0.0012 1321 LYS 86 O -0.0121 -0.0002 -0.0004 1322 GLY 87 N -0.0131 0.0001 -0.0020 1323 GLY 87 HN -0.0129 0.0004 -0.0025 1324 GLY 87 CA -0.0124 0.0005 -0.0018 1325 GLY 87 HA1 -0.0115 0.0008 -0.0014 1326 GLY 87 HA2 -0.0127 0.0000 -0.0013 1327 GLY 87 C -0.0123 0.0010 -0.0031 1328 GLY 87 O -0.0130 0.0010 -0.0041 1329 HIS 88 N -0.0155 0.0018 -0.0022 1330 HIS 88 HN -0.0146 0.0020 -0.0003 1331 HIS 88 CA -0.0155 0.0045 -0.0009 1332 HIS 88 HA -0.0152 0.0023 -0.0013 1333 HIS 88 CB -0.0137 0.0064 0.0035 1334 HIS 88 HB1 -0.0141 0.0089 0.0040 1335 HIS 88 HB2 -0.0121 0.0037 0.0053 1336 HIS 88 CD2 -0.0131 0.0120 0.0073 1337 HIS 88 HD2 -0.0131 0.0146 0.0086 1338 HIS 88 CG -0.0133 0.0082 0.0051 1339 HIS 88 NE2 -0.0130 0.0121 0.0076 1340 HIS 88 HE2 -0.0129 0.0145 0.0090 1341 HIS 88 ND1 -0.0133 0.0059 0.0040 1342 HIS 88 HD1 -0.0134 0.0030 0.0024 1343 HIS 88 CE1 -0.0131 0.0084 0.0056 1344 HIS 88 HE1 -0.0131 0.0076 0.0052 1345 HIS 88 C -0.0179 0.0080 -0.0037 1346 HIS 88 O -0.0193 0.0095 -0.0056 1347 HIS 89 N -0.0166 0.0060 -0.0015 1348 HIS 89 HN -0.0157 0.0030 0.0015 1349 HIS 89 CA -0.0177 0.0095 -0.0064 1350 HIS 89 HA -0.0174 0.0085 -0.0052 1351 HIS 89 CB -0.0190 0.0172 -0.0062 1352 HIS 89 HB1 -0.0197 0.0194 -0.0097 1353 HIS 89 HB2 -0.0194 0.0186 -0.0077 1354 HIS 89 CD2 -0.0188 0.0236 0.0048 1355 HIS 89 HD2 -0.0191 0.0251 0.0042 1356 HIS 89 CG -0.0187 0.0200 0.0006 1357 HIS 89 NE2 -0.0185 0.0253 0.0102 1358 HIS 89 HE2 -0.0186 0.0283 0.0141 1359 HIS 89 ND1 -0.0183 0.0194 0.0034 1360 HIS 89 HD1 -0.0181 0.0170 0.0014 1361 HIS 89 CE1 -0.0182 0.0226 0.0091 1362 HIS 89 HE1 -0.0179 0.0233 0.0125 1363 HIS 89 C -0.0180 0.0066 -0.0134 1364 HIS 89 O -0.0190 0.0093 -0.0183 1365 HIS 90 N -0.0151 0.0016 -0.0076 1366 HIS 90 HN -0.0168 0.0018 -0.0065 1367 HIS 90 CA -0.0149 0.0018 -0.0075 1368 HIS 90 HA -0.0169 0.0018 -0.0064 1369 HIS 90 CB -0.0146 0.0000 -0.0099 1370 HIS 90 HB1 -0.0141 0.0003 -0.0097 1371 HIS 90 HB2 -0.0129 -0.0004 -0.0113 1372 HIS 90 CD2 -0.0186 -0.0028 -0.0114 1373 HIS 90 HD2 -0.0180 -0.0026 -0.0116 1374 HIS 90 CG -0.0173 -0.0017 -0.0107 1375 HIS 90 NE2 -0.0211 -0.0042 -0.0120 1376 HIS 90 HE2 -0.0225 -0.0052 -0.0125 1377 HIS 90 ND1 -0.0190 -0.0026 -0.0109 1378 HIS 90 HD1 -0.0185 -0.0023 -0.0108 1379 HIS 90 CE1 -0.0213 -0.0040 -0.0117 1380 HIS 90 HE1 -0.0229 -0.0050 -0.0120 1381 HIS 90 C -0.0128 0.0037 -0.0061 1382 HIS 90 O -0.0122 0.0039 -0.0062 1383 HIS 91 N -0.0129 0.0033 -0.0027 1384 HIS 91 HN -0.0128 0.0033 -0.0029 1385 HIS 91 CA -0.0127 0.0032 -0.0024 1386 HIS 91 HA -0.0128 0.0032 -0.0022 1387 HIS 91 CB -0.0124 0.0029 -0.0025 1388 HIS 91 HB1 -0.0123 0.0028 -0.0022 1389 HIS 91 HB2 -0.0123 0.0029 -0.0026 1390 HIS 91 CD2 -0.0121 0.0028 -0.0030 1391 HIS 91 HD2 -0.0120 0.0027 -0.0032 1392 HIS 91 CG -0.0123 0.0028 -0.0027 1393 HIS 91 NE2 -0.0121 0.0027 -0.0031 1394 HIS 91 HE2 -0.0120 0.0027 -0.0033 1395 HIS 91 ND1 -0.0123 0.0029 -0.0026 1396 HIS 91 HD1 -0.0125 0.0029 -0.0023 1397 HIS 91 CE1 -0.0122 0.0028 -0.0028 1398 HIS 91 HE1 -0.0122 0.0028 -0.0028 1399 HIS 91 C -0.0128 0.0032 -0.0021 1400 HIS 91 O -0.0129 0.0033 -0.0022 1401 TYR 92 N -0.0074 0.0019 0.0012 1402 TYR 92 HN -0.0068 0.0021 0.0007 1403 TYR 92 CA -0.0075 0.0022 0.0015 1404 TYR 92 HA -0.0082 0.0018 0.0019 1405 TYR 92 CB -0.0069 0.0020 0.0008 1406 TYR 92 HB1 -0.0069 0.0024 0.0010 1407 TYR 92 HB2 -0.0062 0.0023 0.0003 1408 TYR 92 CG -0.0071 0.0009 0.0003 1409 TYR 92 CD1 -0.0069 0.0002 -0.0003 1410 TYR 92 HD1 -0.0065 0.0005 -0.0005 1411 TYR 92 CE1 -0.0071 -0.0008 -0.0007 1412 TYR 92 HE1 -0.0069 -0.0013 -0.0012 1413 TYR 92 CZ -0.0076 -0.0012 -0.0005 1414 TYR 92 OH -0.0079 -0.0023 -0.0008 1415 TYR 92 HH -0.0083 -0.0025 -0.0005 1416 TYR 92 CD2 -0.0076 0.0005 0.0005 1417 TYR 92 HD2 -0.0078 0.0010 0.0010 1418 TYR 92 CE2 -0.0079 -0.0006 0.0002 1419 TYR 92 HE2 -0.0082 -0.0009 0.0003 1420 TYR 92 C -0.0074 0.0034 0.0021 1421 TYR 92 O -0.0068 0.0041 0.0019 1422 ILE 93 N -0.0044 0.0030 0.0035 1423 ILE 93 HN -0.0050 0.0029 0.0035 1424 ILE 93 CA -0.0040 0.0031 0.0042 1425 ILE 93 HA -0.0034 0.0032 0.0040 1426 ILE 93 CB -0.0044 0.0030 0.0046 1427 ILE 93 HB -0.0050 0.0029 0.0048 1428 ILE 93 CG2 -0.0045 0.0030 0.0040 1429 ILE 93 HG21 -0.0048 0.0030 0.0043 1430 ILE 93 HG22 -0.0039 0.0031 0.0038 1431 ILE 93 HG23 -0.0049 0.0029 0.0035 1432 ILE 93 CG1 -0.0039 0.0031 0.0054 1433 ILE 93 HG11 -0.0034 0.0032 0.0052 1434 ILE 93 HG12 -0.0038 0.0031 0.0058 1435 ILE 93 CD -0.0044 0.0030 0.0060 1436 ILE 93 HD1 -0.0050 0.0029 0.0062 1437 ILE 93 HD2 -0.0041 0.0031 0.0065 1438 ILE 93 HD3 -0.0046 0.0030 0.0056 1439 ILE 93 C -0.0039 0.0031 0.0048 1440 ILE 93 O -0.0045 0.0030 0.0050 1441 SER 94 N -0.0002 0.0051 0.0061 1442 SER 94 HN -0.0004 0.0055 0.0066 1443 SER 94 CA 0.0003 0.0056 0.0053 1444 SER 94 HA 0.0005 0.0050 0.0049 1445 SER 94 CB 0.0008 0.0060 0.0046 1446 SER 94 HB1 0.0007 0.0067 0.0049 1447 SER 94 HB2 0.0007 0.0053 0.0045 1448 SER 94 OG 0.0013 0.0062 0.0036 1449 SER 94 HG1 0.0014 0.0070 0.0037 1450 SER 94 C 0.0003 0.0066 0.0056 1451 SER 94 O 0.0001 0.0073 0.0062 1452 ALA 95 N 0.0031 0.0053 0.0029 1453 ALA 95 HN 0.0033 0.0047 0.0023 1454 ALA 95 CA 0.0030 0.0059 0.0028 1455 ALA 95 HA 0.0029 0.0065 0.0036 1456 ALA 95 CB 0.0032 0.0049 0.0028 1457 ALA 95 HB1 0.0034 0.0043 0.0020 1458 ALA 95 HB2 0.0031 0.0053 0.0028 1459 ALA 95 HB3 0.0032 0.0044 0.0037 1460 ALA 95 C 0.0030 0.0066 0.0017 1461 ALA 95 O 0.0031 0.0062 0.0007 1462 ASP 96 N 0.0027 0.0068 0.0005 1463 ASP 96 HN 0.0019 0.0073 0.0015 1464 ASP 96 CA 0.0023 0.0079 -0.0014 1465 ASP 96 HA 0.0028 0.0075 -0.0018 1466 ASP 96 CB 0.0004 0.0097 -0.0009 1467 ASP 96 HB1 -0.0000 0.0106 -0.0024 1468 ASP 96 HB2 -0.0001 0.0101 -0.0004 1469 ASP 96 CG -0.0002 0.0097 0.0009 1470 ASP 96 OD1 -0.0017 0.0110 0.0016 1471 ASP 96 OD2 0.0007 0.0085 0.0016 1472 ASP 96 C 0.0029 0.0079 -0.0033 1473 ASP 96 O 0.0035 0.0072 -0.0030 1474 HIS 97 N 0.0007 0.0060 -0.0061 1475 HIS 97 HN 0.0007 0.0047 -0.0043 1476 HIS 97 CA 0.0019 0.0093 -0.0099 1477 HIS 97 HA 0.0047 0.0102 -0.0104 1478 HIS 97 CB 0.0036 0.0101 -0.0105 1479 HIS 97 HB1 0.0046 0.0126 -0.0135 1480 HIS 97 HB2 0.0007 0.0092 -0.0102 1481 HIS 97 CD2 0.0125 0.0100 -0.0079 1482 HIS 97 HD2 0.0142 0.0120 -0.0099 1483 HIS 97 CG 0.0078 0.0089 -0.0077 1484 HIS 97 NE2 0.0149 0.0080 -0.0046 1485 HIS 97 HE2 0.0183 0.0079 -0.0035 1486 HIS 97 ND1 0.0072 0.0063 -0.0045 1487 HIS 97 HD1 0.0042 0.0051 -0.0038 1488 HIS 97 CE1 0.0115 0.0059 -0.0027 1489 HIS 97 HE1 0.0124 0.0039 0.0000 1490 HIS 97 C -0.0022 0.0108 -0.0131 1491 HIS 97 O -0.0014 0.0135 -0.0164 1492 HIS 98 N -0.0026 0.0096 -0.0182 1493 HIS 98 HN -0.0045 0.0125 -0.0145 1494 HIS 98 CA -0.0059 0.0143 -0.0153 1495 HIS 98 HA -0.0018 0.0088 -0.0141 1496 HIS 98 CB -0.0116 0.0210 -0.0249 1497 HIS 98 HB1 -0.0157 0.0265 -0.0263 1498 HIS 98 HB2 -0.0090 0.0167 -0.0334 1499 HIS 98 CD2 -0.0219 0.0353 -0.0217 1500 HIS 98 HD2 -0.0265 0.0415 -0.0231 1501 HIS 98 CG -0.0150 0.0260 -0.0222 1502 HIS 98 NE2 -0.0219 0.0357 -0.0187 1503 HIS 98 HE2 -0.0261 0.0415 -0.0178 1504 HIS 98 ND1 -0.0107 0.0205 -0.0195 1505 HIS 98 HD1 -0.0055 0.0133 -0.0192 1506 HIS 98 CE1 -0.0151 0.0265 -0.0176 1507 HIS 98 HE1 -0.0134 0.0245 -0.0155 1508 HIS 98 C -0.0092 0.0199 -0.0036 1509 HIS 98 O -0.0110 0.0227 0.0000 1510 GLY 99 N -0.0044 0.0149 -0.0069 1511 GLY 99 HN -0.0039 0.0133 -0.0077 1512 GLY 99 CA -0.0045 0.0178 -0.0017 1513 GLY 99 HA1 -0.0061 0.0213 -0.0024 1514 GLY 99 HA2 -0.0043 0.0184 0.0002 1515 GLY 99 C -0.0025 0.0151 0.0024 1516 GLY 99 O -0.0008 0.0105 0.0017 1517 HIS 100 N 0.0019 0.0115 0.0020 1518 HIS 100 HN 0.0015 0.0135 0.0022 1519 HIS 100 CA 0.0037 0.0120 0.0041 1520 HIS 100 HA 0.0054 0.0099 0.0052 1521 HIS 100 CB 0.0044 0.0156 0.0063 1522 HIS 100 HB1 0.0058 0.0159 0.0080 1523 HIS 100 HB2 0.0027 0.0178 0.0052 1524 HIS 100 CD2 0.0077 0.0136 0.0092 1525 HIS 100 HD2 0.0088 0.0110 0.0095 1526 HIS 100 CG 0.0056 0.0158 0.0077 1527 HIS 100 NE2 0.0081 0.0153 0.0103 1528 HIS 100 HE2 0.0095 0.0144 0.0116 1529 HIS 100 ND1 0.0048 0.0189 0.0079 1530 HIS 100 HD1 0.0033 0.0210 0.0071 1531 HIS 100 CE1 0.0063 0.0184 0.0095 1532 HIS 100 HE1 0.0062 0.0204 0.0101 1533 HIS 100 C 0.0029 0.0121 0.0032 1534 HIS 100 O 0.0008 0.0140 0.0017 1535 VAL 101 N 0.0021 0.0064 0.0076 1536 VAL 101 HN 0.0022 0.0061 0.0083 1537 VAL 101 CA 0.0020 0.0058 0.0072 1538 VAL 101 HA 0.0019 0.0056 0.0064 1539 VAL 101 CB 0.0020 0.0046 0.0078 1540 VAL 101 HB 0.0022 0.0048 0.0087 1541 VAL 101 CG1 0.0019 0.0039 0.0075 1542 VAL 101 HG11 0.0020 0.0043 0.0078 1543 VAL 101 HG12 0.0017 0.0037 0.0067 1544 VAL 101 HG13 0.0019 0.0031 0.0080 1545 VAL 101 CG2 0.0019 0.0040 0.0075 1546 VAL 101 HG21 0.0017 0.0038 0.0066 1547 VAL 101 HG22 0.0020 0.0044 0.0077 1548 VAL 101 HG23 0.0019 0.0031 0.0079 1549 VAL 101 C 0.0021 0.0064 0.0073 1550 VAL 101 O 0.0023 0.0070 0.0081 1551 SER 102 N 0.0037 0.0059 0.0122 1552 SER 102 HN 0.0043 0.0067 0.0129 1553 SER 102 CA 0.0040 0.0034 0.0109 1554 SER 102 HA 0.0028 0.0028 0.0100 1555 SER 102 CB 0.0067 0.0021 0.0114 1556 SER 102 HB1 0.0072 0.0028 0.0120 1557 SER 102 HB2 0.0068 0.0002 0.0103 1558 SER 102 OG 0.0084 0.0024 0.0124 1559 SER 102 HG1 0.0090 0.0038 0.0135 1560 SER 102 C 0.0033 0.0026 0.0100 1561 SER 102 O 0.0016 0.0037 0.0099 1562 THR 103 N -0.0002 0.0014 0.0119 1563 THR 103 HN 0.0017 -0.0002 0.0124 1564 THR 103 CA -0.0013 0.0013 0.0104 1565 THR 103 HA -0.0025 0.0034 0.0114 1566 THR 103 CB -0.0031 0.0004 0.0071 1567 THR 103 HB -0.0046 0.0017 0.0067 1568 THR 103 OG1 -0.0043 0.0005 0.0057 1569 THR 103 HG1 -0.0057 0.0004 0.0038 1570 THR 103 CG2 -0.0015 -0.0026 0.0056 1571 THR 103 HG21 -0.0029 -0.0032 0.0032 1572 THR 103 HG22 -0.0005 -0.0029 0.0065 1573 THR 103 HG23 -0.0000 -0.0041 0.0057 1574 THR 103 C 0.0009 -0.0005 0.0110 1575 THR 103 O 0.0031 -0.0025 0.0114 1576 LYS 104 N -0.0075 0.0020 0.0074 1577 LYS 104 HN -0.0069 0.0014 0.0076 1578 LYS 104 CA -0.0062 0.0010 0.0074 1579 LYS 104 HA -0.0075 0.0009 0.0081 1580 LYS 104 CB -0.0044 0.0025 0.0056 1581 LYS 104 HB1 -0.0056 0.0043 0.0051 1582 LYS 104 HB2 -0.0036 0.0017 0.0056 1583 LYS 104 CG -0.0023 0.0028 0.0043 1584 LYS 104 HG1 -0.0009 0.0011 0.0046 1585 LYS 104 HG2 -0.0030 0.0032 0.0044 1586 LYS 104 CD -0.0010 0.0047 0.0025 1587 LYS 104 HD1 -0.0023 0.0065 0.0021 1588 LYS 104 HD2 -0.0006 0.0044 0.0025 1589 LYS 104 CE 0.0013 0.0048 0.0012 1590 LYS 104 HE1 0.0026 0.0031 0.0016 1591 LYS 104 HE2 0.0009 0.0053 0.0012 1592 LYS 104 NZ 0.0026 0.0066 -0.0005 1593 LYS 104 HZ1 0.0045 0.0059 -0.0011 1594 LYS 104 HZ2 0.0025 0.0068 -0.0005 1595 LYS 104 HZ3 0.0022 0.0082 -0.0013 1596 LYS 104 C -0.0048 -0.0016 0.0082 1597 LYS 104 O -0.0044 -0.0023 0.0085 1598 GLU 105 N -0.0112 0.0009 0.0033 1599 GLU 105 HN -0.0123 0.0000 0.0037 1600 GLU 105 CA -0.0089 -0.0002 0.0056 1601 GLU 105 HA -0.0090 0.0001 0.0052 1602 GLU 105 CB -0.0099 -0.0033 0.0082 1603 GLU 105 HB1 -0.0098 -0.0037 0.0087 1604 GLU 105 HB2 -0.0126 -0.0042 0.0079 1605 GLU 105 CG -0.0076 -0.0046 0.0107 1606 GLU 105 HG1 -0.0075 -0.0042 0.0103 1607 GLU 105 HG2 -0.0049 -0.0039 0.0113 1608 GLU 105 CD -0.0089 -0.0076 0.0132 1609 GLU 105 OE1 -0.0108 -0.0089 0.0137 1610 GLU 105 OE2 -0.0079 -0.0086 0.0147 1611 GLU 105 C -0.0053 0.0011 0.0059 1612 GLU 105 O -0.0047 0.0016 0.0057 1613 HIS 106 N -0.0039 -0.0034 0.0025 1614 HIS 106 HN -0.0069 -0.0053 0.0028 1615 HIS 106 CA 0.0003 -0.0025 0.0022 1616 HIS 106 HA -0.0003 -0.0053 0.0023 1617 HIS 106 CB 0.0058 -0.0036 0.0018 1618 HIS 106 HB1 0.0086 -0.0031 0.0016 1619 HIS 106 HB2 0.0069 -0.0010 0.0016 1620 HIS 106 CD2 0.0073 -0.0109 0.0018 1621 HIS 106 HD2 0.0080 -0.0088 0.0017 1622 HIS 106 CG 0.0063 -0.0090 0.0019 1623 HIS 106 NE2 0.0070 -0.0162 0.0020 1624 HIS 106 HE2 0.0066 -0.0186 0.0021 1625 HIS 106 ND1 0.0055 -0.0131 0.0020 1626 HIS 106 HD1 0.0048 -0.0128 0.0021 1627 HIS 106 CE1 0.0059 -0.0173 0.0021 1628 HIS 106 HE1 0.0053 -0.0212 0.0022 1629 HIS 106 C 0.0002 0.0027 0.0021 1630 HIS 106 O -0.0010 0.0067 0.0021 1631 HIS 107 N 0.0014 -0.0010 0.0002 1632 HIS 107 HN 0.0021 -0.0029 0.0006 1633 HIS 107 CA 0.0019 0.0003 -0.0006 1634 HIS 107 HA 0.0002 0.0014 0.0000 1635 HIS 107 CB 0.0030 -0.0017 -0.0004 1636 HIS 107 HB1 0.0046 -0.0030 -0.0008 1637 HIS 107 HB2 0.0016 -0.0029 0.0008 1638 HIS 107 CD2 0.0061 -0.0001 -0.0028 1639 HIS 107 HD2 0.0078 -0.0007 -0.0036 1640 HIS 107 CG 0.0038 -0.0004 -0.0014 1641 HIS 107 NE2 0.0059 0.0013 -0.0032 1642 HIS 107 HE2 0.0072 0.0020 -0.0043 1643 HIS 107 ND1 0.0022 0.0007 -0.0009 1644 HIS 107 HD1 0.0004 0.0008 0.0001 1645 HIS 107 CE1 0.0035 0.0017 -0.0020 1646 HIS 107 HE1 0.0028 0.0029 -0.0020 1647 HIS 107 C 0.0035 0.0024 -0.0023 1648 HIS 107 O 0.0053 0.0019 -0.0031 1649 ASP 108 N 0.0039 0.0019 -0.0026 1650 ASP 108 HN 0.0025 0.0022 -0.0016 1651 ASP 108 CA 0.0052 0.0041 -0.0043 1652 ASP 108 HA 0.0070 0.0032 -0.0054 1653 ASP 108 CB 0.0042 0.0061 -0.0043 1654 ASP 108 HB1 0.0024 0.0073 -0.0034 1655 ASP 108 HB2 0.0040 0.0048 -0.0037 1656 ASP 108 CG 0.0057 0.0081 -0.0061 1657 ASP 108 OD1 0.0074 0.0083 -0.0075 1658 ASP 108 OD2 0.0050 0.0095 -0.0061 1659 ASP 108 C 0.0050 0.0055 -0.0047 1660 ASP 108 O 0.0036 0.0051 -0.0035 1661 HIS 109 N 0.0092 0.0068 -0.0141 1662 HIS 109 HN 0.0114 0.0083 -0.0170 1663 HIS 109 CA 0.0085 0.0091 -0.0132 1664 HIS 109 HA 0.0069 0.0058 -0.0111 1665 HIS 109 CB 0.0120 0.0100 -0.0177 1666 HIS 109 HB1 0.0115 0.0129 -0.0169 1667 HIS 109 HB2 0.0141 0.0122 -0.0203 1668 HIS 109 CD2 0.0164 0.0012 -0.0236 1669 HIS 109 HD2 0.0187 0.0024 -0.0266 1670 HIS 109 CG 0.0133 0.0042 -0.0195 1671 HIS 109 NE2 0.0163 -0.0040 -0.0236 1672 HIS 109 HE2 0.0183 -0.0071 -0.0262 1673 HIS 109 ND1 0.0113 0.0007 -0.0169 1674 HIS 109 HD1 0.0088 0.0017 -0.0137 1675 HIS 109 CE1 0.0132 -0.0041 -0.0195 1676 HIS 109 HE1 0.0122 -0.0078 -0.0184 1677 HIS 109 C 0.0062 0.0145 -0.0100 1678 HIS 109 O 0.0043 0.0157 -0.0075 1679 ASP 110 N 0.0063 0.0069 -0.0057 1680 ASP 110 HN 0.0069 0.0068 -0.0065 1681 ASP 110 CA 0.0052 0.0086 -0.0044 1682 ASP 110 HA 0.0052 0.0098 -0.0046 1683 ASP 110 CB 0.0051 0.0096 -0.0045 1684 ASP 110 HB1 0.0041 0.0107 -0.0034 1685 ASP 110 HB2 0.0052 0.0084 -0.0044 1686 ASP 110 CG 0.0061 0.0111 -0.0061 1687 ASP 110 OD1 0.0069 0.0116 -0.0072 1688 ASP 110 OD2 0.0061 0.0119 -0.0062 1689 ASP 110 C 0.0039 0.0076 -0.0025 1690 ASP 110 O 0.0028 0.0088 -0.0013 1691 THR 111 N 0.0000 0.0075 -0.0009 1692 THR 111 HN 0.0011 0.0067 -0.0013 1693 THR 111 CA -0.0013 0.0066 0.0002 1694 THR 111 HA -0.0024 0.0075 0.0005 1695 THR 111 CB -0.0015 0.0049 0.0008 1696 THR 111 HB -0.0027 0.0045 0.0017 1697 THR 111 OG1 -0.0002 0.0034 0.0006 1698 THR 111 HG1 -0.0004 0.0029 0.0008 1699 THR 111 CG2 -0.0015 0.0054 0.0007 1700 THR 111 HG21 -0.0003 0.0058 -0.0002 1701 THR 111 HG22 -0.0017 0.0042 0.0012 1702 THR 111 HG23 -0.0025 0.0065 0.0009 1703 THR 111 C -0.0010 0.0060 0.0002 1704 THR 111 O -0.0018 0.0050 0.0010 1705 THR 112 N 0.0013 0.0071 -0.0037 1706 THR 112 HN 0.0019 0.0080 -0.0041 1707 THR 112 CA 0.0007 0.0059 -0.0035 1708 THR 112 HA 0.0001 0.0052 -0.0029 1709 THR 112 CB 0.0009 0.0050 -0.0050 1710 THR 112 HB 0.0015 0.0057 -0.0057 1711 THR 112 OG1 0.0010 0.0044 -0.0060 1712 THR 112 HG1 0.0015 0.0053 -0.0062 1713 THR 112 CG2 0.0001 0.0036 -0.0048 1714 THR 112 HG21 -0.0005 0.0029 -0.0041 1715 THR 112 HG22 0.0003 0.0029 -0.0059 1716 THR 112 HG23 0.0000 0.0039 -0.0042 1717 THR 112 C 0.0006 0.0064 -0.0027 1718 THR 112 O 0.0012 0.0074 -0.0030 1719 PHE 113 N 0.0024 0.0030 0.0010 1720 PHE 113 HN 0.0023 0.0023 0.0014 1721 PHE 113 CA 0.0023 0.0036 0.0012 1722 PHE 113 HA 0.0025 0.0042 0.0007 1723 PHE 113 CB 0.0017 0.0040 0.0023 1724 PHE 113 HB1 0.0016 0.0046 0.0025 1725 PHE 113 HB2 0.0015 0.0033 0.0029 1726 PHE 113 CG 0.0016 0.0048 0.0024 1727 PHE 113 CD1 0.0012 0.0045 0.0032 1728 PHE 113 HD1 0.0010 0.0039 0.0038 1729 PHE 113 CE1 0.0011 0.0052 0.0033 1730 PHE 113 HE1 0.0008 0.0050 0.0039 1731 PHE 113 CZ 0.0014 0.0061 0.0026 1732 PHE 113 HZ 0.0014 0.0066 0.0027 1733 PHE 113 CD2 0.0019 0.0056 0.0018 1734 PHE 113 HD2 0.0022 0.0058 0.0011 1735 PHE 113 CE2 0.0018 0.0063 0.0019 1736 PHE 113 HE2 0.0021 0.0070 0.0013 1737 PHE 113 C 0.0023 0.0027 0.0012 1738 PHE 113 O 0.0024 0.0017 0.0012 1739 GLU 114 N 0.0046 0.0006 0.0011 1740 GLU 114 HN 0.0049 0.0022 0.0014 1741 GLU 114 CA 0.0043 -0.0031 0.0014 1742 GLU 114 HA 0.0043 -0.0045 0.0019 1743 GLU 114 CB 0.0032 -0.0046 -0.0019 1744 GLU 114 HB1 0.0030 -0.0075 -0.0015 1745 GLU 114 HB2 0.0032 -0.0033 -0.0023 1746 GLU 114 CG 0.0024 -0.0039 -0.0052 1747 GLU 114 HG1 0.0025 -0.0011 -0.0058 1748 GLU 114 HG2 0.0024 -0.0049 -0.0047 1749 GLU 114 CD 0.0013 -0.0058 -0.0082 1750 GLU 114 OE1 0.0005 -0.0060 -0.0109 1751 GLU 114 OE2 0.0012 -0.0071 -0.0080 1752 GLU 114 C 0.0051 -0.0039 0.0044 1753 GLU 114 O 0.0057 -0.0015 0.0056 1754 GLU 115 N 0.0069 -0.0054 0.0074 1755 GLU 115 HN 0.0073 -0.0061 0.0073 1756 GLU 115 CA 0.0071 -0.0056 0.0077 1757 GLU 115 HA 0.0069 -0.0051 0.0086 1758 GLU 115 CB 0.0077 -0.0069 0.0080 1759 GLU 115 HB1 0.0078 -0.0071 0.0082 1760 GLU 115 HB2 0.0079 -0.0074 0.0072 1761 GLU 115 CG 0.0079 -0.0073 0.0092 1762 GLU 115 HG1 0.0078 -0.0070 0.0092 1763 GLU 115 HG2 0.0077 -0.0068 0.0101 1764 GLU 115 CD 0.0085 -0.0085 0.0095 1765 GLU 115 OE1 0.0087 -0.0090 0.0094 1766 GLU 115 OE2 0.0087 -0.0091 0.0097 1767 GLU 115 C 0.0069 -0.0052 0.0068 1768 GLU 115 O 0.0068 -0.0051 0.0057 1769 ILE 116 N 0.0047 -0.0039 0.0093 1770 ILE 116 HN 0.0047 -0.0039 0.0097 1771 ILE 116 CA 0.0045 -0.0038 0.0087 1772 ILE 116 HA 0.0045 -0.0038 0.0084 1773 ILE 116 CB 0.0040 -0.0035 0.0087 1774 ILE 116 HB 0.0040 -0.0035 0.0091 1775 ILE 116 CG2 0.0035 -0.0033 0.0089 1776 ILE 116 HG21 0.0036 -0.0033 0.0093 1777 ILE 116 HG22 0.0031 -0.0031 0.0090 1778 ILE 116 HG23 0.0034 -0.0032 0.0085 1779 ILE 116 CG1 0.0038 -0.0034 0.0081 1780 ILE 116 HG11 0.0038 -0.0034 0.0077 1781 ILE 116 HG12 0.0042 -0.0036 0.0080 1782 ILE 116 CD 0.0033 -0.0032 0.0081 1783 ILE 116 HD1 0.0033 -0.0032 0.0085 1784 ILE 116 HD2 0.0032 -0.0032 0.0077 1785 ILE 116 HD3 0.0029 -0.0030 0.0082 1786 ILE 116 C 0.0050 -0.0040 0.0085 1787 ILE 116 O 0.0052 -0.0041 0.0088 1788 ILE 117 N 0.0072 -0.0025 0.0057 1789 ILE 117 HN 0.0059 -0.0013 0.0029 1790 ILE 117 CA 0.0107 -0.0054 0.0043 1791 ILE 117 HA 0.0125 -0.0071 0.0075 1792 ILE 117 CB 0.0131 -0.0071 0.0002 1793 ILE 117 HB 0.0112 -0.0054 -0.0030 1794 ILE 117 CG2 0.0165 -0.0098 -0.0020 1795 ILE 117 HG21 0.0183 -0.0111 -0.0048 1796 ILE 117 HG22 0.0154 -0.0088 -0.0041 1797 ILE 117 HG23 0.0184 -0.0116 0.0010 1798 ILE 117 CG1 0.0147 -0.0086 0.0024 1799 ILE 117 HG11 0.0153 -0.0093 0.0064 1800 ILE 117 HG12 0.0176 -0.0109 0.0004 1801 ILE 117 CD 0.0121 -0.0064 0.0017 1802 ILE 117 HD1 0.0093 -0.0042 0.0038 1803 ILE 117 HD2 0.0116 -0.0058 -0.0024 1804 ILE 117 HD3 0.0136 -0.0077 0.0031 1805 ILE 117 C 0.0098 -0.0046 0.0027 1806 ILE 117 O 0.0072 -0.0022 -0.0001 1807 ILE 118 N 0.0120 -0.0064 0.0007 1808 ILE 118 HN 0.0147 -0.0100 0.0036 1809 ILE 118 CA 0.0150 -0.0049 -0.0132 1810 ILE 118 HA 0.0060 0.0002 -0.0010 1811 ILE 118 CB 0.0080 -0.0050 0.0088 1812 ILE 118 HB 0.0117 -0.0094 0.0108 1813 ILE 118 CG2 0.0051 -0.0023 0.0093 1814 ILE 118 HG21 0.0039 -0.0030 0.0149 1815 ILE 118 HG22 0.0078 -0.0040 0.0063 1816 ILE 118 HG23 0.0016 0.0020 0.0070 1817 ILE 118 CG1 0.0046 -0.0033 0.0139 1818 ILE 118 HG11 0.0037 -0.0042 0.0193 1819 ILE 118 HG12 0.0071 -0.0059 0.0142 1820 ILE 118 CD -0.0005 0.0025 0.0119 1821 ILE 118 HD1 -0.0026 0.0033 0.0157 1822 ILE 118 HD2 -0.0032 0.0052 0.0119 1823 ILE 118 HD3 0.0003 0.0034 0.0065 1824 ILE 118 C 0.0134 -0.0065 -0.0034 1825 ILE 118 OT1 0.0180 -0.0113 -0.0027 1826 ILE 118 OT2 0.0164 -0.0091 -0.0043