1 ASN 3 N 0.0207 -0.0036 0.0110 2 ASN 3 HN 0.0191 -0.0031 0.0115 3 ASN 3 CA 0.0166 -0.0038 0.0079 4 ASN 3 HA 0.0193 -0.0051 0.0056 5 ASN 3 CB 0.0122 -0.0045 0.0032 6 ASN 3 HB1 0.0090 -0.0046 0.0009 7 ASN 3 HB2 0.0095 -0.0033 0.0054 8 ASN 3 CG 0.0159 -0.0068 -0.0016 9 ASN 3 OD1 0.0174 -0.0085 -0.0058 10 ASN 3 ND2 0.0172 -0.0069 -0.0010 11 ASN 3 HD21 0.0197 -0.0084 -0.0041 12 ASN 3 HD22 0.0167 -0.0055 0.0029 13 ASN 3 C 0.0128 -0.0017 0.0121 14 ASN 3 O 0.0130 0.0000 0.0175 15 ARG 4 N 0.0100 0.0105 0.0072 16 ARG 4 HN 0.0099 0.0149 0.0056 17 ARG 4 CA 0.0048 0.0103 0.0104 18 ARG 4 HA 0.0049 0.0050 0.0123 19 ARG 4 CB -0.0018 0.0130 0.0132 20 ARG 4 HB1 -0.0056 0.0120 0.0159 21 ARG 4 HB2 -0.0024 0.0188 0.0114 22 ARG 4 CG -0.0029 0.0098 0.0151 23 ARG 4 HG1 -0.0079 0.0122 0.0171 24 ARG 4 HG2 0.0005 0.0115 0.0125 25 ARG 4 CD -0.0022 0.0019 0.0176 26 ARG 4 HD1 0.0028 -0.0005 0.0156 27 ARG 4 HD2 -0.0056 0.0001 0.0203 28 ARG 4 NE -0.0038 -0.0001 0.0193 29 ARG 4 HE -0.0064 0.0036 0.0194 30 ARG 4 CZ -0.0016 -0.0061 0.0203 31 ARG 4 NH1 0.0022 -0.0112 0.0199 32 ARG 4 HH11 0.0042 -0.0102 0.0184 33 ARG 4 HH12 0.0043 -0.0154 0.0202 34 ARG 4 NH2 -0.0034 -0.0071 0.0216 35 ARG 4 HH21 -0.0017 -0.0116 0.0224 36 ARG 4 HH22 -0.0060 -0.0032 0.0218 37 ARG 4 C 0.0052 0.0148 0.0085 38 ARG 4 O 0.0022 0.0139 0.0106 39 ALA 5 N -0.0077 0.0070 0.0121 40 ALA 5 HN -0.0050 0.0069 0.0102 41 ALA 5 CA -0.0096 0.0097 0.0104 42 ALA 5 HA -0.0128 0.0100 0.0126 43 ALA 5 CB -0.0103 0.0135 0.0065 44 ALA 5 HB1 -0.0116 0.0156 0.0051 45 ALA 5 HB2 -0.0127 0.0145 0.0073 46 ALA 5 HB3 -0.0071 0.0133 0.0042 47 ALA 5 C -0.0065 0.0084 0.0095 48 ALA 5 O -0.0024 0.0067 0.0084 49 PHE 6 N -0.0004 0.0048 0.0068 50 PHE 6 HN -0.0029 0.0063 0.0074 51 PHE 6 CA 0.0005 0.0042 0.0067 52 PHE 6 HA 0.0033 0.0027 0.0054 53 PHE 6 CB -0.0002 0.0032 0.0110 54 PHE 6 HB1 -0.0003 0.0033 0.0109 55 PHE 6 HB2 -0.0027 0.0044 0.0127 56 PHE 6 CG 0.0027 0.0005 0.0132 57 PHE 6 CD1 0.0028 -0.0001 0.0151 58 PHE 6 HD1 0.0006 0.0013 0.0151 59 PHE 6 CE1 0.0057 -0.0027 0.0168 60 PHE 6 HE1 0.0057 -0.0031 0.0181 61 PHE 6 CZ 0.0086 -0.0046 0.0167 62 PHE 6 HZ 0.0108 -0.0065 0.0179 63 PHE 6 CD2 0.0056 -0.0015 0.0132 64 PHE 6 HD2 0.0056 -0.0010 0.0118 65 PHE 6 CE2 0.0085 -0.0040 0.0149 66 PHE 6 HE2 0.0107 -0.0055 0.0149 67 PHE 6 C -0.0013 0.0064 0.0038 68 PHE 6 O -0.0043 0.0086 0.0031 69 LYS 7 N 0.0015 -0.0029 0.0085 70 LYS 7 HN 0.0019 -0.0067 0.0076 71 LYS 7 CA 0.0022 0.0007 0.0040 72 LYS 7 HA 0.0018 0.0046 0.0055 73 LYS 7 CB 0.0029 -0.0010 0.0004 74 LYS 7 HB1 0.0024 -0.0007 0.0028 75 LYS 7 HB2 0.0033 0.0019 -0.0029 76 LYS 7 CG 0.0035 -0.0069 -0.0018 77 LYS 7 HG1 0.0037 -0.0076 -0.0032 78 LYS 7 HG2 0.0030 -0.0098 0.0015 79 LYS 7 CD 0.0043 -0.0078 -0.0066 80 LYS 7 HD1 0.0041 -0.0077 -0.0052 81 LYS 7 HD2 0.0046 -0.0042 -0.0093 82 LYS 7 CE 0.0051 -0.0128 -0.0100 83 LYS 7 HE1 0.0057 -0.0125 -0.0138 84 LYS 7 HE2 0.0053 -0.0129 -0.0110 85 LYS 7 NZ 0.0048 -0.0179 -0.0073 86 LYS 7 HZ1 0.0049 -0.0186 -0.0075 87 LYS 7 HZ2 0.0041 -0.0178 -0.0032 88 LYS 7 HZ3 0.0053 -0.0210 -0.0091 89 LYS 7 C 0.0028 0.0013 0.0005 90 LYS 7 O 0.0029 -0.0021 0.0004 91 SER 8 N 0.0048 0.0017 0.0006 92 SER 8 HN 0.0049 0.0015 0.0008 93 SER 8 CA 0.0049 0.0016 0.0006 94 SER 8 HA 0.0047 0.0018 0.0005 95 SER 8 CB 0.0052 0.0014 0.0002 96 SER 8 HB1 0.0052 0.0016 -0.0001 97 SER 8 HB2 0.0052 0.0014 0.0002 98 SER 8 OG 0.0055 0.0011 0.0004 99 SER 8 HG1 0.0054 0.0012 0.0004 100 SER 8 C 0.0049 0.0015 0.0010 101 SER 8 O 0.0049 0.0013 0.0013 102 HIS 9 N 0.0104 0.0002 0.0085 103 HIS 9 HN 0.0107 0.0030 0.0091 104 HIS 9 CA 0.0065 -0.0014 0.0093 105 HIS 9 HA 0.0048 0.0010 0.0104 106 HIS 9 CB 0.0057 -0.0035 0.0090 107 HIS 9 HB1 0.0027 -0.0047 0.0096 108 HIS 9 HB2 0.0076 -0.0058 0.0079 109 HIS 9 CD2 0.0089 -0.0003 0.0088 110 HIS 9 HD2 0.0113 -0.0019 0.0077 111 HIS 9 CG 0.0062 -0.0007 0.0095 112 HIS 9 NE2 0.0080 0.0030 0.0099 113 HIS 9 HE2 0.0096 0.0043 0.0098 114 HIS 9 ND1 0.0037 0.0021 0.0109 115 HIS 9 HD1 0.0015 0.0025 0.0117 116 HIS 9 CE1 0.0049 0.0043 0.0111 117 HIS 9 HE1 0.0037 0.0069 0.0121 118 HIS 9 C 0.0052 -0.0038 0.0091 119 HIS 9 O 0.0048 -0.0023 0.0095 120 HIS 10 N 0.0021 -0.0246 0.0030 121 HIS 10 HN 0.0009 -0.0211 0.0043 122 HIS 10 CA 0.0025 -0.0280 -0.0016 123 HIS 10 HA 0.0033 -0.0310 -0.0036 124 HIS 10 CB -0.0001 -0.0243 -0.0063 125 HIS 10 HB1 0.0002 -0.0269 -0.0099 126 HIS 10 HB2 -0.0008 -0.0215 -0.0043 127 HIS 10 CD2 -0.0044 -0.0152 -0.0088 128 HIS 10 HD2 -0.0052 -0.0120 -0.0065 129 HIS 10 CG -0.0021 -0.0208 -0.0089 130 HIS 10 NE2 -0.0057 -0.0141 -0.0128 131 HIS 10 HE2 -0.0074 -0.0104 -0.0139 132 HIS 10 ND1 -0.0020 -0.0232 -0.0128 133 HIS 10 HD1 -0.0005 -0.0273 -0.0138 134 HIS 10 CE1 -0.0041 -0.0191 -0.0150 135 HIS 10 HE1 -0.0047 -0.0196 -0.0183 136 HIS 10 C 0.0042 -0.0309 0.0007 137 HIS 10 O 0.0044 -0.0332 -0.0027 138 GLY 11 N 0.0190 -0.0053 -0.0034 139 GLY 11 HN 0.0162 -0.0108 0.0005 140 GLY 11 CA 0.0138 -0.0012 -0.0023 141 GLY 11 HA1 0.0176 0.0047 -0.0069 142 GLY 11 HA2 0.0138 -0.0080 0.0006 143 GLY 11 C 0.0029 0.0042 0.0015 144 GLY 11 O -0.0022 0.0073 0.0030 145 HIS 12 N -0.0010 0.0031 0.0090 146 HIS 12 HN -0.0009 0.0022 0.0107 147 HIS 12 CA -0.0021 0.0016 0.0070 148 HIS 12 HA -0.0023 0.0019 0.0058 149 HIS 12 CB -0.0030 -0.0010 0.0079 150 HIS 12 HB1 -0.0038 -0.0020 0.0064 151 HIS 12 HB2 -0.0027 -0.0013 0.0094 152 HIS 12 CD2 -0.0042 -0.0043 0.0084 153 HIS 12 HD2 -0.0050 -0.0056 0.0074 154 HIS 12 CG -0.0032 -0.0021 0.0088 155 HIS 12 NE2 -0.0040 -0.0044 0.0095 156 HIS 12 HE2 -0.0045 -0.0057 0.0096 157 HIS 12 ND1 -0.0024 -0.0010 0.0102 158 HIS 12 HD1 -0.0016 0.0006 0.0108 159 HIS 12 CE1 -0.0029 -0.0024 0.0105 160 HIS 12 HE1 -0.0025 -0.0020 0.0115 161 HIS 12 C -0.0022 0.0022 0.0056 162 HIS 12 O -0.0016 0.0030 0.0066 163 PHE 13 N -0.0060 0.0105 0.0035 164 PHE 13 HN -0.0066 0.0129 0.0033 165 PHE 13 CA -0.0105 0.0092 0.0027 166 PHE 13 HA -0.0093 0.0083 0.0030 167 PHE 13 CB -0.0145 0.0140 0.0016 168 PHE 13 HB1 -0.0176 0.0133 0.0010 169 PHE 13 HB2 -0.0163 0.0146 0.0012 170 PHE 13 CG -0.0115 0.0191 0.0020 171 PHE 13 CD1 -0.0089 0.0195 0.0025 172 PHE 13 HD1 -0.0091 0.0161 0.0026 173 PHE 13 CE1 -0.0060 0.0241 0.0029 174 PHE 13 HE1 -0.0039 0.0244 0.0033 175 PHE 13 CZ -0.0056 0.0285 0.0028 176 PHE 13 HZ -0.0033 0.0320 0.0031 177 PHE 13 CD2 -0.0111 0.0235 0.0019 178 PHE 13 HD2 -0.0130 0.0231 0.0015 179 PHE 13 CE2 -0.0082 0.0281 0.0023 180 PHE 13 HE2 -0.0078 0.0314 0.0022 181 PHE 13 C -0.0135 0.0042 0.0023 182 PHE 13 O -0.0137 0.0031 0.0023 183 LEU 14 N -0.0053 0.0077 0.0029 184 LEU 14 HN -0.0060 0.0079 0.0029 185 LEU 14 CA -0.0059 0.0064 0.0020 186 LEU 14 HA -0.0047 0.0060 0.0018 187 LEU 14 CB -0.0066 0.0047 0.0009 188 LEU 14 HB1 -0.0070 0.0037 0.0002 189 LEU 14 HB2 -0.0080 0.0051 0.0009 190 LEU 14 CG -0.0048 0.0039 0.0005 191 LEU 14 HG -0.0045 0.0049 0.0012 192 LEU 14 CD1 -0.0055 0.0022 -0.0006 193 LEU 14 HD11 -0.0059 0.0012 -0.0013 194 LEU 14 HD12 -0.0043 0.0016 -0.0008 195 LEU 14 HD13 -0.0070 0.0025 -0.0006 196 LEU 14 CD2 -0.0028 0.0035 0.0005 197 LEU 14 HD21 -0.0021 0.0047 0.0013 198 LEU 14 HD22 -0.0016 0.0028 0.0002 199 LEU 14 HD23 -0.0030 0.0026 -0.0001 200 LEU 14 C -0.0077 0.0071 0.0023 201 LEU 14 O -0.0092 0.0080 0.0026 202 SER 15 N -0.0097 0.0026 -0.0011 203 SER 15 HN -0.0077 0.0005 -0.0010 204 SER 15 CA -0.0106 0.0029 -0.0023 205 SER 15 HA -0.0128 0.0048 -0.0034 206 SER 15 CB -0.0095 0.0035 0.0008 207 SER 15 HB1 -0.0099 0.0034 -0.0002 208 SER 15 HB2 -0.0072 0.0018 0.0023 209 SER 15 OG -0.0109 0.0065 0.0032 210 SER 15 HG1 -0.0112 0.0069 0.0033 211 SER 15 C -0.0097 0.0002 -0.0053 212 SER 15 O -0.0076 -0.0024 -0.0056 213 ALA 16 N -0.0049 -0.0051 -0.0053 214 ALA 16 HN -0.0045 -0.0047 -0.0057 215 ALA 16 CA -0.0037 -0.0055 -0.0068 216 ALA 16 HA -0.0042 -0.0057 -0.0061 217 ALA 16 CB -0.0029 -0.0033 -0.0082 218 ALA 16 HB1 -0.0036 -0.0017 -0.0074 219 ALA 16 HB2 -0.0024 -0.0031 -0.0089 220 ALA 16 HB3 -0.0020 -0.0035 -0.0093 221 ALA 16 C -0.0028 -0.0078 -0.0078 222 ALA 16 O -0.0023 -0.0083 -0.0084 223 GLU 17 N 0.0163 -0.0097 -0.0137 224 GLU 17 HN 0.0128 -0.0059 -0.0083 225 GLU 17 CA 0.0135 -0.0136 -0.0187 226 GLU 17 HA 0.0194 -0.0165 -0.0231 227 GLU 17 CB 0.0036 -0.0175 -0.0228 228 GLU 17 HB1 0.0005 -0.0190 -0.0245 229 GLU 17 HB2 -0.0019 -0.0147 -0.0184 230 GLU 17 CG 0.0041 -0.0233 -0.0306 231 GLU 17 HG1 0.0068 -0.0222 -0.0294 232 GLU 17 HG2 0.0092 -0.0263 -0.0352 233 GLU 17 CD -0.0062 -0.0267 -0.0339 234 GLU 17 OE1 -0.0091 -0.0291 -0.0369 235 GLU 17 OE2 -0.0122 -0.0262 -0.0326 236 GLU 17 C 0.0119 -0.0099 -0.0136 237 GLU 17 O 0.0062 -0.0060 -0.0076 238 GLY 18 N 0.0104 -0.0030 0.0062 239 GLY 18 HN 0.0091 -0.0105 0.0144 240 GLY 18 CA 0.0161 0.0096 0.0138 241 GLY 18 HA1 0.0197 0.0217 0.0099 242 GLY 18 HA2 0.0177 0.0072 0.0278 243 GLY 18 C 0.0150 0.0092 0.0084 244 GLY 18 O 0.0122 -0.0017 0.0143 245 GLU 19 N 0.0028 0.0077 0.0001 246 GLU 19 HN 0.0011 0.0077 -0.0008 247 GLU 19 CA 0.0033 0.0015 0.0076 248 GLU 19 HA 0.0038 0.0014 0.0078 249 GLU 19 CB -0.0052 -0.0045 0.0099 250 GLU 19 HB1 -0.0046 -0.0093 0.0158 251 GLU 19 HB2 -0.0057 -0.0046 0.0098 252 GLU 19 CG -0.0141 -0.0043 0.0049 253 GLU 19 HG1 -0.0154 0.0003 -0.0010 254 GLU 19 HG2 -0.0139 -0.0045 0.0052 255 GLU 19 CD -0.0223 -0.0104 0.0076 256 GLU 19 OE1 -0.0214 -0.0160 0.0146 257 GLU 19 OE2 -0.0295 -0.0094 0.0026 258 GLU 19 C 0.0115 0.0001 0.0135 259 GLU 19 O 0.0122 -0.0055 0.0203 260 ALA 20 N 0.0070 0.0010 0.0006 261 ALA 20 HN 0.0068 0.0013 0.0013 262 ALA 20 CA 0.0077 0.0003 -0.0023 263 ALA 20 HA 0.0075 -0.0009 -0.0028 264 ALA 20 CB 0.0087 0.0030 -0.0040 265 ALA 20 HB1 0.0092 0.0024 -0.0062 266 ALA 20 HB2 0.0087 0.0043 -0.0032 267 ALA 20 HB3 0.0088 0.0042 -0.0037 268 ALA 20 C 0.0076 -0.0015 -0.0033 269 ALA 20 O 0.0071 -0.0020 -0.0020 270 VAL 21 N 0.0046 -0.0012 -0.0050 271 VAL 21 HN 0.0053 -0.0009 -0.0066 272 VAL 21 CA 0.0030 -0.0020 -0.0047 273 VAL 21 HA 0.0024 -0.0022 -0.0030 274 VAL 21 CB 0.0011 -0.0028 -0.0064 275 VAL 21 HB 0.0017 -0.0025 -0.0082 276 VAL 21 CG1 -0.0006 -0.0037 -0.0059 277 VAL 21 HG11 -0.0001 -0.0034 -0.0061 278 VAL 21 HG12 -0.0013 -0.0040 -0.0041 279 VAL 21 HG13 -0.0020 -0.0043 -0.0071 280 VAL 21 CG2 0.0003 -0.0032 -0.0062 281 VAL 21 HG21 -0.0011 -0.0039 -0.0073 282 VAL 21 HG22 -0.0001 -0.0034 -0.0043 283 VAL 21 HG23 0.0015 -0.0026 -0.0067 284 VAL 21 C 0.0040 -0.0015 -0.0052 285 VAL 21 O 0.0052 -0.0009 -0.0069 286 LYS 22 N 0.0055 -0.0029 -0.0108 287 LYS 22 HN 0.0035 -0.0030 -0.0089 288 LYS 22 CA 0.0058 -0.0044 -0.0075 289 LYS 22 HA 0.0066 -0.0036 -0.0100 290 LYS 22 CB 0.0106 -0.0076 -0.0037 291 LYS 22 HB1 0.0146 -0.0077 -0.0065 292 LYS 22 HB2 0.0113 -0.0087 -0.0016 293 LYS 22 CG 0.0095 -0.0090 0.0005 294 LYS 22 HG1 0.0071 -0.0099 0.0044 295 LYS 22 HG2 0.0067 -0.0074 -0.0010 296 LYS 22 CD 0.0148 -0.0113 0.0018 297 LYS 22 HD1 0.0132 -0.0119 0.0044 298 LYS 22 HD2 0.0171 -0.0104 -0.0021 299 LYS 22 CE 0.0189 -0.0140 0.0049 300 LYS 22 HE1 0.0211 -0.0136 0.0022 301 LYS 22 HE2 0.0165 -0.0148 0.0086 302 LYS 22 NZ 0.0232 -0.0163 0.0069 303 LYS 22 HZ1 0.0256 -0.0182 0.0096 304 LYS 22 HZ2 0.0257 -0.0158 0.0038 305 LYS 22 HZ3 0.0209 -0.0164 0.0089 306 LYS 22 C 0.0002 -0.0040 -0.0041 307 LYS 22 O -0.0033 -0.0033 -0.0030 308 THR 23 N 0.0024 -0.0071 -0.0048 309 THR 23 HN 0.0041 -0.0078 -0.0053 310 THR 23 CA 0.0017 -0.0063 -0.0031 311 THR 23 HA -0.0002 -0.0058 -0.0033 312 THR 23 CB 0.0028 -0.0067 -0.0033 313 THR 23 HB 0.0048 -0.0072 -0.0031 314 THR 23 OG1 0.0021 -0.0073 -0.0056 315 THR 23 HG1 0.0030 -0.0076 -0.0056 316 THR 23 CG2 0.0019 -0.0058 -0.0016 317 THR 23 HG21 0.0026 -0.0061 -0.0019 318 THR 23 HG22 0.0027 -0.0053 0.0002 319 THR 23 HG23 -0.0000 -0.0053 -0.0017 320 THR 23 C 0.0025 -0.0056 -0.0007 321 THR 23 O 0.0044 -0.0060 -0.0003 322 HIS 24 N -0.0026 0.0002 0.0013 323 HIS 24 HN -0.0048 0.0018 0.0007 324 HIS 24 CA -0.0018 -0.0007 0.0043 325 HIS 24 HA 0.0005 -0.0025 0.0051 326 HIS 24 CB -0.0019 -0.0005 0.0029 327 HIS 24 HB1 -0.0042 0.0013 0.0019 328 HIS 24 HB2 -0.0003 -0.0015 0.0004 329 HIS 24 CD2 -0.0022 -0.0006 0.0061 330 HIS 24 HD2 -0.0040 0.0009 0.0047 331 HIS 24 CG -0.0011 -0.0014 0.0056 332 HIS 24 NE2 -0.0005 -0.0021 0.0089 333 HIS 24 HE2 -0.0006 -0.0021 0.0097 334 HIS 24 ND1 0.0012 -0.0033 0.0080 335 HIS 24 HD1 0.0025 -0.0042 0.0083 336 HIS 24 CE1 0.0015 -0.0037 0.0099 337 HIS 24 HE1 0.0032 -0.0051 0.0120 338 HIS 24 C -0.0039 0.0004 0.0079 339 HIS 24 O -0.0066 0.0025 0.0078 340 HIS 25 N -0.0165 0.0046 -0.0020 341 HIS 25 HN -0.0153 -0.0038 -0.0036 342 HIS 25 CA -0.0174 0.0096 0.0072 343 HIS 25 HA -0.0183 0.0153 0.0124 344 HIS 25 CB -0.0162 0.0002 0.0152 345 HIS 25 HB1 -0.0158 -0.0041 0.0200 346 HIS 25 HB2 -0.0169 0.0040 0.0218 347 HIS 25 CD2 -0.0145 -0.0108 0.0070 348 HIS 25 HD2 -0.0153 -0.0055 0.0094 349 HIS 25 CG -0.0148 -0.0091 0.0087 350 HIS 25 NE2 -0.0130 -0.0211 0.0010 351 HIS 25 HE2 -0.0124 -0.0247 -0.0019 352 HIS 25 ND1 -0.0134 -0.0182 0.0042 353 HIS 25 HD1 -0.0133 -0.0194 0.0043 354 HIS 25 CE1 -0.0124 -0.0252 -0.0005 355 HIS 25 HE1 -0.0111 -0.0332 -0.0050 356 HIS 25 C -0.0183 0.0170 0.0025 357 HIS 25 O -0.0195 0.0247 0.0086 358 GLY 26 N -0.0076 0.0155 -0.0005 359 GLY 26 HN -0.0106 0.0153 0.0011 360 GLY 26 CA -0.0052 0.0159 -0.0039 361 GLY 26 HA1 -0.0014 0.0157 -0.0028 362 GLY 26 HA2 -0.0071 0.0159 -0.0036 363 GLY 26 C -0.0052 0.0168 -0.0092 364 GLY 26 O -0.0084 0.0171 -0.0109 365 HIS 27 N 0.0071 0.0177 -0.0307 366 HIS 27 HN 0.0055 0.0250 -0.0364 367 HIS 27 CA 0.0040 0.0009 -0.0166 368 HIS 27 HA -0.0078 0.0014 -0.0150 369 HIS 27 CB -0.0036 -0.0094 -0.0069 370 HIS 27 HB1 -0.0060 -0.0218 0.0035 371 HIS 27 HB2 0.0078 -0.0107 -0.0078 372 HIS 27 CD2 -0.0289 0.0044 -0.0137 373 HIS 27 HD2 -0.0193 0.0052 -0.0160 374 HIS 27 CG -0.0237 -0.0017 -0.0097 375 HIS 27 NE2 -0.0493 0.0104 -0.0150 376 HIS 27 HE2 -0.0577 0.0166 -0.0186 377 HIS 27 ND1 -0.0407 0.0001 -0.0082 378 HIS 27 HD1 -0.0413 -0.0034 -0.0052 379 HIS 27 CE1 -0.0557 0.0075 -0.0116 380 HIS 27 HE1 -0.0713 0.0112 -0.0118 381 HIS 27 C 0.0239 -0.0065 -0.0140 382 HIS 27 O 0.0401 -0.0040 -0.0189 383 HIS 28 N 0.0638 -0.0096 -0.0093 384 HIS 28 HN 0.0783 0.0005 -0.0084 385 HIS 28 CA 0.0194 0.0068 -0.0110 386 HIS 28 HA 0.0129 0.0269 -0.0109 387 HIS 28 CB 0.0139 0.0395 -0.0105 388 HIS 28 HB1 0.0344 0.0684 -0.0090 389 HIS 28 HB2 -0.0208 0.0513 -0.0119 390 HIS 28 CD2 0.0574 0.0417 -0.0085 391 HIS 28 HD2 0.0802 0.0685 -0.0069 392 HIS 28 CG 0.0267 0.0243 -0.0103 393 HIS 28 NE2 0.0572 0.0205 -0.0089 394 HIS 28 HE2 0.0765 0.0268 -0.0079 395 HIS 28 ND1 0.0066 -0.0084 -0.0119 396 HIS 28 HD1 -0.0179 -0.0276 -0.0134 397 HIS 28 CE1 0.0264 -0.0095 -0.0110 398 HIS 28 HE1 0.0184 -0.0340 -0.0119 399 HIS 28 C -0.0186 -0.0256 -0.0134 400 HIS 28 O -0.0549 -0.0135 -0.0148 401 ASP 29 N 0.0089 -0.0276 0.0338 402 ASP 29 HN 0.0063 -0.0250 0.0304 403 ASP 29 CA 0.0126 -0.0238 0.0367 404 ASP 29 HA 0.0161 -0.0239 0.0404 405 ASP 29 CB 0.0120 -0.0162 0.0340 406 ASP 29 HB1 0.0148 -0.0132 0.0362 407 ASP 29 HB2 0.0084 -0.0159 0.0301 408 ASP 29 CG 0.0126 -0.0130 0.0337 409 ASP 29 OD1 0.0110 -0.0075 0.0306 410 ASP 29 OD2 0.0147 -0.0157 0.0367 411 ASP 29 C 0.0127 -0.0270 0.0377 412 ASP 29 O 0.0090 -0.0294 0.0344 413 HIS 30 N -0.0250 0.0027 0.0004 414 HIS 30 HN -0.0280 0.0045 0.0012 415 HIS 30 CA -0.0118 0.0010 0.0077 416 HIS 30 HA -0.0079 -0.0035 0.0032 417 HIS 30 CB -0.0020 -0.0028 0.0090 418 HIS 30 HB1 0.0080 -0.0044 0.0142 419 HIS 30 HB2 -0.0056 0.0019 0.0142 420 HIS 30 CD2 -0.0040 -0.0125 -0.0089 421 HIS 30 HD2 -0.0085 -0.0083 -0.0054 422 HIS 30 CG -0.0007 -0.0109 -0.0036 423 HIS 30 NE2 -0.0004 -0.0209 -0.0205 424 HIS 30 HE2 -0.0019 -0.0241 -0.0269 425 HIS 30 ND1 0.0051 -0.0181 -0.0113 426 HIS 30 HD1 0.0087 -0.0188 -0.0097 427 HIS 30 CE1 0.0050 -0.0240 -0.0214 428 HIS 30 HE1 0.0086 -0.0306 -0.0297 429 HIS 30 C -0.0129 0.0092 0.0209 430 HIS 30 O -0.0203 0.0161 0.0268 431 HIS 31 N -0.0217 0.0249 -0.0016 432 HIS 31 HN -0.0217 0.0253 -0.0016 433 HIS 31 CA -0.0217 0.0247 -0.0015 434 HIS 31 HA -0.0216 0.0244 -0.0013 435 HIS 31 CB -0.0215 0.0250 -0.0011 436 HIS 31 HB1 -0.0214 0.0248 -0.0010 437 HIS 31 HB2 -0.0215 0.0253 -0.0013 438 HIS 31 CD2 -0.0212 0.0254 -0.0007 439 HIS 31 HD2 -0.0213 0.0256 -0.0009 440 HIS 31 CG -0.0213 0.0250 -0.0008 441 HIS 31 NE2 -0.0210 0.0253 -0.0003 442 HIS 31 HE2 -0.0209 0.0254 -0.0001 443 HIS 31 ND1 -0.0211 0.0248 -0.0004 444 HIS 31 HD1 -0.0211 0.0245 -0.0004 445 HIS 31 CE1 -0.0210 0.0249 -0.0001 446 HIS 31 HE1 -0.0208 0.0248 0.0002 447 HIS 31 C -0.0218 0.0245 -0.0018 448 HIS 31 O -0.0220 0.0247 -0.0021 449 THR 32 N -0.0172 0.0099 -0.0000 450 THR 32 HN -0.0169 0.0082 0.0029 451 THR 32 CA -0.0175 0.0097 -0.0011 452 THR 32 HA -0.0185 0.0097 -0.0048 453 THR 32 CB -0.0182 0.0055 0.0012 454 THR 32 HB -0.0172 0.0054 0.0051 455 THR 32 OG1 -0.0198 0.0015 -0.0003 456 THR 32 HG1 -0.0198 0.0023 -0.0009 457 THR 32 CG2 -0.0187 0.0051 -0.0002 458 THR 32 HG21 -0.0193 0.0018 0.0014 459 THR 32 HG22 -0.0175 0.0080 0.0009 460 THR 32 HG23 -0.0198 0.0051 -0.0041 461 THR 32 C -0.0158 0.0139 0.0004 462 THR 32 O -0.0144 0.0151 0.0043 463 HIS 33 N -0.0133 0.0160 0.0025 464 HIS 33 HN -0.0153 0.0147 -0.0019 465 HIS 33 CA -0.0116 0.0209 0.0037 466 HIS 33 HA -0.0094 0.0225 0.0085 467 HIS 33 CB -0.0119 0.0270 -0.0011 468 HIS 33 HB1 -0.0107 0.0306 -0.0002 469 HIS 33 HB2 -0.0141 0.0256 -0.0060 470 HIS 33 CD2 -0.0098 0.0294 0.0029 471 HIS 33 HD2 -0.0092 0.0258 0.0068 472 HIS 33 CG -0.0109 0.0305 -0.0009 473 HIS 33 NE2 -0.0095 0.0339 0.0007 474 HIS 33 HE2 -0.0088 0.0343 0.0022 475 HIS 33 ND1 -0.0113 0.0357 -0.0054 476 HIS 33 HD1 -0.0121 0.0376 -0.0088 477 HIS 33 CE1 -0.0105 0.0376 -0.0043 478 HIS 33 HE1 -0.0105 0.0414 -0.0071 479 HIS 33 C -0.0124 0.0178 0.0036 480 HIS 33 O -0.0149 0.0149 -0.0010 481 PHE 34 N -0.0029 0.0088 0.0032 482 PHE 34 HN -0.0026 0.0093 0.0042 483 PHE 34 CA -0.0030 0.0092 0.0054 484 PHE 34 HA -0.0041 0.0080 0.0045 485 PHE 34 CB -0.0042 0.0090 0.0089 486 PHE 34 HB1 -0.0041 0.0095 0.0105 487 PHE 34 HB2 -0.0033 0.0100 0.0098 488 PHE 34 CG -0.0069 0.0065 0.0090 489 PHE 34 CD1 -0.0086 0.0050 0.0087 490 PHE 34 HD1 -0.0079 0.0055 0.0083 491 PHE 34 CE1 -0.0111 0.0027 0.0090 492 PHE 34 HE1 -0.0124 0.0015 0.0088 493 PHE 34 CZ -0.0120 0.0021 0.0096 494 PHE 34 HZ -0.0140 0.0004 0.0098 495 PHE 34 CD2 -0.0078 0.0059 0.0096 496 PHE 34 HD2 -0.0066 0.0071 0.0098 497 PHE 34 CE2 -0.0104 0.0036 0.0098 498 PHE 34 HE2 -0.0110 0.0031 0.0103 499 PHE 34 C -0.0005 0.0115 0.0054 500 PHE 34 O 0.0013 0.0132 0.0060 501 HIS 35 N 0.0093 0.0087 0.0053 502 HIS 35 HN 0.0063 0.0081 0.0055 503 HIS 35 CA 0.0095 0.0075 0.0062 504 HIS 35 HA 0.0127 0.0086 0.0057 505 HIS 35 CB 0.0054 0.0090 0.0048 506 HIS 35 HB1 0.0051 0.0076 0.0057 507 HIS 35 HB2 0.0021 0.0082 0.0050 508 HIS 35 CD2 0.0045 0.0159 -0.0005 509 HIS 35 HD2 0.0027 0.0157 -0.0005 510 HIS 35 CG 0.0060 0.0132 0.0017 511 HIS 35 NE2 0.0056 0.0194 -0.0030 512 HIS 35 HE2 0.0050 0.0220 -0.0049 513 HIS 35 ND1 0.0079 0.0150 0.0005 514 HIS 35 HD1 0.0091 0.0138 0.0016 515 HIS 35 CE1 0.0076 0.0187 -0.0022 516 HIS 35 HE1 0.0088 0.0209 -0.0037 517 HIS 35 C 0.0094 0.0033 0.0093 518 HIS 35 O 0.0063 0.0013 0.0105 519 VAL 36 N -0.0005 -0.0075 0.0046 520 VAL 36 HN -0.0017 -0.0096 0.0045 521 VAL 36 CA -0.0007 -0.0061 0.0029 522 VAL 36 HA 0.0001 -0.0038 0.0022 523 VAL 36 CB -0.0031 -0.0072 0.0004 524 VAL 36 HB -0.0039 -0.0096 0.0012 525 VAL 36 CG1 -0.0033 -0.0057 -0.0012 526 VAL 36 HG11 -0.0028 -0.0063 -0.0000 527 VAL 36 HG12 -0.0023 -0.0033 -0.0018 528 VAL 36 HG13 -0.0049 -0.0064 -0.0031 529 VAL 36 CG2 -0.0040 -0.0067 -0.0015 530 VAL 36 HG21 -0.0032 -0.0044 -0.0023 531 VAL 36 HG22 -0.0039 -0.0078 -0.0004 532 VAL 36 HG23 -0.0057 -0.0076 -0.0033 533 VAL 36 C 0.0003 -0.0064 0.0048 534 VAL 36 O -0.0003 -0.0089 0.0061 535 GLU 37 N -0.0005 -0.0138 0.0012 536 GLU 37 HN -0.0020 -0.0093 0.0000 537 GLU 37 CA 0.0070 -0.0117 0.0044 538 GLU 37 HA 0.0083 -0.0171 0.0056 539 GLU 37 CB 0.0141 -0.0104 0.0074 540 GLU 37 HB1 0.0133 -0.0045 0.0063 541 GLU 37 HB2 0.0139 -0.0164 0.0081 542 GLU 37 CG 0.0227 -0.0096 0.0112 543 GLU 37 HG1 0.0233 -0.0153 0.0122 544 GLU 37 HG2 0.0235 -0.0033 0.0108 545 GLU 37 CD 0.0293 -0.0100 0.0142 546 GLU 37 OE1 0.0309 -0.0033 0.0141 547 GLU 37 OE2 0.0326 -0.0172 0.0166 548 GLU 37 C 0.0061 -0.0034 0.0029 549 GLU 37 O 0.0029 0.0031 0.0007 550 ASN 38 N -0.0016 -0.0110 -0.0054 551 ASN 38 HN 0.0063 -0.0137 -0.0107 552 ASN 38 CA -0.0003 0.0038 0.0012 553 ASN 38 HA -0.0109 0.0058 0.0074 554 ASN 38 CB 0.0068 0.0136 0.0025 555 ASN 38 HB1 -0.0009 0.0129 0.0060 556 ASN 38 HB2 0.0093 0.0247 0.0067 557 ASN 38 CG 0.0203 0.0095 -0.0062 558 ASN 38 OD1 0.0307 0.0106 -0.0108 559 ASN 38 ND2 0.0204 0.0049 -0.0085 560 ASN 38 HD21 0.0294 0.0026 -0.0140 561 ASN 38 HD22 0.0121 0.0046 -0.0045 562 ASN 38 C 0.0060 0.0082 0.0002 563 ASN 38 O 0.0148 0.0025 -0.0069 564 HIS 39 N 0.0022 0.0027 -0.0009 565 HIS 39 HN -0.0044 0.0037 -0.0045 566 HIS 39 CA 0.0083 0.0117 -0.0005 567 HIS 39 HA 0.0149 0.0110 0.0030 568 HIS 39 CB 0.0097 0.0141 -0.0004 569 HIS 39 HB1 0.0129 0.0218 -0.0011 570 HIS 39 HB2 0.0030 0.0132 -0.0035 571 HIS 39 CD2 0.0140 -0.0007 0.0058 572 HIS 39 HD2 0.0073 -0.0050 0.0038 573 HIS 39 CG 0.0160 0.0077 0.0045 574 HIS 39 NE2 0.0223 -0.0033 0.0107 575 HIS 39 HE2 0.0234 -0.0097 0.0131 576 HIS 39 ND1 0.0253 0.0105 0.0083 577 HIS 39 HD1 0.0287 0.0165 0.0083 578 HIS 39 CE1 0.0288 0.0037 0.0120 579 HIS 39 HE1 0.0362 0.0035 0.0157 580 HIS 39 C 0.0044 0.0203 -0.0048 581 HIS 39 O 0.0050 0.0286 -0.0069 582 GLY 40 N -0.0169 -0.0121 -0.0072 583 GLY 40 HN -0.0164 -0.0064 -0.0088 584 GLY 40 CA -0.0118 -0.0223 -0.0038 585 GLY 40 HA1 -0.0158 -0.0287 -0.0023 586 GLY 40 HA2 -0.0127 -0.0236 -0.0035 587 GLY 40 C 0.0005 -0.0222 -0.0027 588 GLY 40 O 0.0063 -0.0143 -0.0045 589 GLY 41 N -0.0349 -0.0273 -0.0096 590 GLY 41 HN -0.0505 -0.0426 0.0002 591 GLY 41 CA -0.0093 -0.0294 0.0022 592 GLY 41 HA1 -0.0107 -0.0482 0.0209 593 GLY 41 HA2 0.0133 -0.0199 0.0010 594 GLY 41 C -0.0096 -0.0189 -0.0086 595 GLY 41 O 0.0149 -0.0140 -0.0043 596 LYS 42 N -0.0220 0.0131 -0.0135 597 LYS 42 HN -0.0232 0.0124 -0.0170 598 LYS 42 CA -0.0200 0.0115 -0.0100 599 LYS 42 HA -0.0192 0.0134 -0.0063 600 LYS 42 CB -0.0177 0.0059 -0.0098 601 LYS 42 HB1 -0.0165 0.0047 -0.0080 602 LYS 42 HB2 -0.0186 0.0039 -0.0136 603 LYS 42 CG -0.0159 0.0044 -0.0067 604 LYS 42 HG1 -0.0170 0.0055 -0.0084 605 LYS 42 HG2 -0.0153 0.0068 -0.0030 606 LYS 42 CD -0.0134 -0.0010 -0.0058 607 LYS 42 HD1 -0.0121 -0.0015 -0.0029 608 LYS 42 HD2 -0.0125 -0.0019 -0.0043 609 LYS 42 CE -0.0138 -0.0049 -0.0104 610 LYS 42 HE1 -0.0120 -0.0087 -0.0094 611 LYS 42 HE2 -0.0152 -0.0045 -0.0133 612 LYS 42 NZ -0.0149 -0.0042 -0.0122 613 LYS 42 HZ1 -0.0150 -0.0070 -0.0150 614 LYS 42 HZ2 -0.0137 -0.0042 -0.0094 615 LYS 42 HZ3 -0.0168 -0.0008 -0.0135 616 LYS 42 C -0.0212 0.0134 -0.0111 617 LYS 42 O -0.0230 0.0134 -0.0154 618 VAL 43 N -0.0120 0.0067 -0.0006 619 VAL 43 HN -0.0130 0.0067 -0.0006 620 VAL 43 CA -0.0113 0.0055 -0.0008 621 VAL 43 HA -0.0103 0.0055 -0.0008 622 VAL 43 CB -0.0120 0.0043 -0.0010 623 VAL 43 HB -0.0113 0.0034 -0.0012 624 VAL 43 CG1 -0.0120 0.0048 -0.0010 625 VAL 43 HG11 -0.0124 0.0040 -0.0011 626 VAL 43 HG12 -0.0110 0.0051 -0.0009 627 VAL 43 HG13 -0.0127 0.0056 -0.0008 628 VAL 43 CG2 -0.0134 0.0040 -0.0011 629 VAL 43 HG21 -0.0139 0.0032 -0.0013 630 VAL 43 HG22 -0.0141 0.0049 -0.0010 631 VAL 43 HG23 -0.0134 0.0036 -0.0012 632 VAL 43 C -0.0113 0.0050 -0.0009 633 VAL 43 O -0.0120 0.0056 -0.0008 634 ALA 44 N -0.0058 0.0040 0.0011 635 ALA 44 HN -0.0045 0.0024 0.0014 636 ALA 44 CA -0.0048 0.0030 0.0013 637 ALA 44 HA -0.0064 0.0048 0.0009 638 ALA 44 CB -0.0005 0.0036 0.0021 639 ALA 44 HB1 0.0004 0.0066 0.0021 640 ALA 44 HB2 0.0013 0.0016 0.0025 641 ALA 44 HB3 0.0002 0.0030 0.0022 642 ALA 44 C -0.0059 -0.0012 0.0012 643 ALA 44 O -0.0057 -0.0036 0.0014 644 LEU 45 N -0.0044 0.0053 0.0021 645 LEU 45 HN -0.0047 0.0068 0.0022 646 LEU 45 CA -0.0056 0.0025 0.0016 647 LEU 45 HA -0.0054 0.0012 0.0015 648 LEU 45 CB -0.0087 0.0028 0.0008 649 LEU 45 HB1 -0.0095 0.0007 0.0004 650 LEU 45 HB2 -0.0088 0.0042 0.0009 651 LEU 45 CG -0.0107 0.0042 0.0004 652 LEU 45 HG -0.0099 0.0064 0.0009 653 LEU 45 CD1 -0.0137 0.0047 -0.0002 654 LEU 45 HD11 -0.0152 0.0057 -0.0005 655 LEU 45 HD12 -0.0136 0.0062 -0.0001 656 LEU 45 HD13 -0.0146 0.0026 -0.0007 657 LEU 45 CD2 -0.0109 0.0024 0.0002 658 LEU 45 HD21 -0.0106 0.0000 0.0001 659 LEU 45 HD22 -0.0091 0.0030 0.0007 660 LEU 45 HD23 -0.0129 0.0027 -0.0002 661 LEU 45 C -0.0039 0.0010 0.0018 662 LEU 45 O -0.0036 0.0022 0.0020 663 LYS 46 N 0.0022 0.0022 0.0024 664 LYS 46 HN 0.0034 0.0002 0.0018 665 LYS 46 CA 0.0030 0.0010 0.0021 666 LYS 46 HA 0.0009 0.0031 0.0023 667 LYS 46 CB 0.0074 0.0009 0.0046 668 LYS 46 HB1 0.0079 0.0037 0.0069 669 LYS 46 HB2 0.0076 0.0007 0.0046 670 LYS 46 CG 0.0109 -0.0025 0.0044 671 LYS 46 HG1 0.0107 -0.0053 0.0023 672 LYS 46 HG2 0.0107 -0.0025 0.0042 673 LYS 46 CD 0.0150 -0.0019 0.0073 674 LYS 46 HD1 0.0153 0.0008 0.0092 675 LYS 46 HD2 0.0149 -0.0013 0.0076 676 LYS 46 CE 0.0188 -0.0053 0.0072 677 LYS 46 HE1 0.0188 -0.0080 0.0053 678 LYS 46 HE2 0.0189 -0.0060 0.0068 679 LYS 46 NZ 0.0225 -0.0042 0.0101 680 LYS 46 HZ1 0.0231 -0.0024 0.0117 681 LYS 46 HZ2 0.0251 -0.0065 0.0100 682 LYS 46 HZ3 0.0221 -0.0024 0.0111 683 LYS 46 C 0.0022 -0.0029 -0.0010 684 LYS 46 O 0.0023 -0.0053 -0.0026 685 THR 47 N 0.0013 0.0083 -0.0017 686 THR 47 HN 0.0001 0.0075 -0.0016 687 THR 47 CA 0.0012 0.0071 -0.0043 688 THR 47 HA 0.0013 0.0076 -0.0032 689 THR 47 CB -0.0017 0.0046 -0.0056 690 THR 47 HB -0.0018 0.0038 -0.0072 691 THR 47 OG1 -0.0019 0.0037 -0.0073 692 THR 47 HG1 -0.0039 0.0023 -0.0077 693 THR 47 CG2 -0.0044 0.0041 -0.0027 694 THR 47 HG21 -0.0044 0.0047 -0.0011 695 THR 47 HG22 -0.0065 0.0023 -0.0035 696 THR 47 HG23 -0.0043 0.0048 -0.0011 697 THR 47 C 0.0039 0.0076 -0.0072 698 THR 47 O 0.0057 0.0087 -0.0075 699 HIS 48 N 0.0074 0.0138 -0.0117 700 HIS 48 HN 0.0039 0.0121 -0.0112 701 HIS 48 CA 0.0139 0.0163 -0.0265 702 HIS 48 HA 0.0243 0.0216 -0.0246 703 HIS 48 CB 0.0136 0.0158 -0.0367 704 HIS 48 HB1 0.0195 0.0189 -0.0310 705 HIS 48 HB2 0.0188 0.0178 -0.0478 706 HIS 48 CD2 -0.0074 0.0047 -0.0528 707 HIS 48 HD2 -0.0044 0.0057 -0.0642 708 HIS 48 CG -0.0005 0.0087 -0.0395 709 HIS 48 NE2 -0.0197 -0.0012 -0.0491 710 HIS 48 HE2 -0.0269 -0.0051 -0.0565 711 HIS 48 ND1 -0.0082 0.0054 -0.0277 712 HIS 48 HD1 -0.0056 0.0072 -0.0167 713 HIS 48 CE1 -0.0196 -0.0005 -0.0339 714 HIS 48 HE1 -0.0280 -0.0044 -0.0279 715 HIS 48 C 0.0069 0.0125 -0.0348 716 HIS 48 O 0.0133 0.0153 -0.0438 717 CYS 49 N 0.0157 0.0060 -0.0206 718 CYS 49 HN 0.0112 0.0103 -0.0257 719 CYS 49 CA 0.0130 0.0126 -0.0110 720 CYS 49 HA 0.0173 0.0075 -0.0093 721 CYS 49 CB 0.0033 0.0235 -0.0173 722 CYS 49 HB1 -0.0010 0.0290 -0.0182 723 CYS 49 HB2 0.0030 0.0205 -0.0281 724 CYS 49 SG -0.0006 0.0317 -0.0078 725 CYS 49 HG1 0.0030 0.0310 0.0047 726 CYS 49 C 0.0138 0.0162 0.0031 727 CYS 49 O 0.0117 0.0221 0.0129 728 GLY 50 N 0.0104 0.0108 0.0018 729 GLY 50 HN 0.0130 0.0102 -0.0001 730 GLY 50 CA 0.0092 0.0071 0.0044 731 GLY 50 HA1 0.0067 0.0071 0.0065 732 GLY 50 HA2 0.0113 0.0042 0.0038 733 GLY 50 C 0.0086 0.0070 0.0050 734 GLY 50 O 0.0067 0.0048 0.0075 735 LYS 51 N 0.0074 -0.0018 0.0041 736 LYS 51 HN 0.0073 -0.0021 0.0031 737 LYS 51 CA 0.0097 0.0027 0.0011 738 LYS 51 HA 0.0100 0.0037 0.0038 739 LYS 51 CB 0.0124 0.0082 0.0006 740 LYS 51 HB1 0.0142 0.0116 -0.0014 741 LYS 51 HB2 0.0123 0.0073 -0.0028 742 LYS 51 CG 0.0130 0.0105 0.0069 743 LYS 51 HG1 0.0147 0.0140 0.0058 744 LYS 51 HG2 0.0111 0.0071 0.0093 745 LYS 51 CD 0.0138 0.0132 0.0115 746 LYS 51 HD1 0.0122 0.0099 0.0124 747 LYS 51 HD2 0.0157 0.0168 0.0091 748 LYS 51 CE 0.0142 0.0152 0.0178 749 LYS 51 HE1 0.0156 0.0179 0.0170 750 LYS 51 HE2 0.0122 0.0115 0.0207 751 LYS 51 NZ 0.0156 0.0189 0.0216 752 LYS 51 HZ1 0.0157 0.0199 0.0261 753 LYS 51 HZ2 0.0176 0.0226 0.0193 754 LYS 51 HZ3 0.0145 0.0167 0.0222 755 LYS 51 C 0.0093 0.0004 -0.0055 756 LYS 51 O 0.0083 -0.0023 -0.0089 757 TYR 52 N 0.0058 -0.0068 0.0021 758 TYR 52 HN 0.0064 -0.0063 0.0024 759 TYR 52 CA 0.0052 -0.0052 0.0029 760 TYR 52 HA 0.0053 -0.0058 0.0026 761 TYR 52 CB 0.0068 -0.0034 0.0041 762 TYR 52 HB1 0.0061 -0.0021 0.0048 763 TYR 52 HB2 0.0070 -0.0029 0.0044 764 TYR 52 CG 0.0091 -0.0039 0.0041 765 TYR 52 CD1 0.0108 -0.0052 0.0036 766 TYR 52 HD1 0.0104 -0.0058 0.0032 767 TYR 52 CE1 0.0129 -0.0057 0.0036 768 TYR 52 HE1 0.0142 -0.0066 0.0032 769 TYR 52 CZ 0.0135 -0.0049 0.0041 770 TYR 52 OH 0.0157 -0.0054 0.0041 771 TYR 52 HH 0.0158 -0.0046 0.0045 772 TYR 52 CD2 0.0097 -0.0031 0.0046 773 TYR 52 HD2 0.0085 -0.0021 0.0050 774 TYR 52 CE2 0.0119 -0.0036 0.0046 775 TYR 52 HE2 0.0123 -0.0029 0.0050 776 TYR 52 C 0.0028 -0.0044 0.0031 777 TYR 52 O 0.0020 -0.0040 0.0032 778 LEU 53 N -0.0042 -0.0015 0.0031 779 LEU 53 HN -0.0042 -0.0018 0.0030 780 LEU 53 CA -0.0046 -0.0012 0.0028 781 LEU 53 HA -0.0047 -0.0011 0.0028 782 LEU 53 CB -0.0049 -0.0014 0.0025 783 LEU 53 HB1 -0.0052 -0.0012 0.0023 784 LEU 53 HB2 -0.0048 -0.0016 0.0025 785 LEU 53 CG -0.0051 -0.0019 0.0022 786 LEU 53 HG -0.0051 -0.0017 0.0022 787 LEU 53 CD1 -0.0048 -0.0023 0.0024 788 LEU 53 HD11 -0.0049 -0.0026 0.0022 789 LEU 53 HD12 -0.0045 -0.0023 0.0026 790 LEU 53 HD13 -0.0047 -0.0025 0.0024 791 LEU 53 CD2 -0.0055 -0.0020 0.0019 792 LEU 53 HD21 -0.0057 -0.0016 0.0018 793 LEU 53 HD22 -0.0056 -0.0023 0.0017 794 LEU 53 HD23 -0.0054 -0.0021 0.0019 795 LEU 53 C -0.0046 -0.0007 0.0030 796 LEU 53 O -0.0044 -0.0007 0.0032 797 SER 54 N -0.0090 -0.0014 0.0056 798 SER 54 HN -0.0082 -0.0015 0.0065 799 SER 54 CA -0.0084 -0.0019 0.0041 800 SER 54 HA -0.0093 -0.0018 0.0033 801 SER 54 CB -0.0077 -0.0022 0.0035 802 SER 54 HB1 -0.0068 -0.0024 0.0043 803 SER 54 HB2 -0.0086 -0.0020 0.0034 804 SER 54 OG -0.0072 -0.0027 0.0020 805 SER 54 HG1 -0.0081 -0.0025 0.0013 806 SER 54 C -0.0073 -0.0022 0.0043 807 SER 54 O -0.0065 -0.0022 0.0055 808 ILE 55 N -0.0081 0.0006 0.0033 809 ILE 55 HN -0.0098 -0.0004 0.0018 810 ILE 55 CA -0.0047 -0.0004 0.0033 811 ILE 55 HA -0.0033 0.0011 0.0051 812 ILE 55 CB -0.0038 -0.0017 0.0024 813 ILE 55 HB -0.0047 -0.0035 0.0004 814 ILE 55 CG2 -0.0056 -0.0000 0.0034 815 ILE 55 HG21 -0.0050 0.0019 0.0054 816 ILE 55 HG22 -0.0083 0.0002 0.0028 817 ILE 55 HG23 -0.0049 -0.0008 0.0029 818 ILE 55 CG1 -0.0001 -0.0023 0.0029 819 ILE 55 HG11 0.0011 -0.0039 0.0017 820 ILE 55 HG12 0.0003 -0.0028 0.0025 821 ILE 55 CD 0.0018 -0.0002 0.0054 822 ILE 55 HD1 0.0019 0.0002 0.0058 823 ILE 55 HD2 0.0006 0.0016 0.0067 824 ILE 55 HD3 0.0044 -0.0006 0.0057 825 ILE 55 C -0.0034 -0.0020 0.0021 826 ILE 55 O -0.0006 -0.0032 0.0019 827 GLY 56 N -0.0079 0.0012 -0.0029 828 GLY 56 HN -0.0099 0.0000 -0.0013 829 GLY 56 CA -0.0039 0.0030 -0.0026 830 GLY 56 HA1 -0.0023 0.0033 0.0001 831 GLY 56 HA2 -0.0044 0.0028 -0.0022 832 GLY 56 C -0.0015 0.0049 -0.0064 833 GLY 56 O -0.0029 0.0049 -0.0101 834 ASP 57 N -0.0096 0.0024 -0.0108 835 ASP 57 HN -0.0101 0.0060 -0.0065 836 ASP 57 CA 0.0017 -0.0089 -0.0166 837 ASP 57 HA -0.0015 -0.0136 -0.0253 838 ASP 57 CB 0.0054 -0.0140 -0.0203 839 ASP 57 HB1 0.0141 -0.0227 -0.0247 840 ASP 57 HB2 0.0086 -0.0092 -0.0114 841 ASP 57 CG -0.0070 -0.0141 -0.0303 842 ASP 57 OD1 -0.0178 -0.0122 -0.0364 843 ASP 57 OD2 -0.0053 -0.0166 -0.0322 844 ASP 57 C 0.0154 -0.0100 -0.0070 845 ASP 57 O 0.0267 -0.0185 -0.0092 846 HIS 58 N -0.0214 -0.0173 0.0156 847 HIS 58 HN -0.0222 -0.0125 0.0147 848 HIS 58 CA -0.0111 -0.0132 0.0175 849 HIS 58 HA -0.0073 -0.0218 0.0197 850 HIS 58 CB -0.0164 -0.0047 0.0149 851 HIS 58 HB1 -0.0220 0.0032 0.0124 852 HIS 58 HB2 -0.0232 -0.0109 0.0142 853 HIS 58 CD2 -0.0054 0.0143 0.0148 854 HIS 58 HD2 -0.0108 0.0227 0.0122 855 HIS 58 CG -0.0069 0.0016 0.0163 856 HIS 58 NE2 0.0045 0.0148 0.0171 857 HIS 58 HE2 0.0076 0.0226 0.0167 858 HIS 58 ND1 0.0020 -0.0058 0.0196 859 HIS 58 HD1 0.0032 -0.0154 0.0213 860 HIS 58 CE1 0.0086 0.0025 0.0199 861 HIS 58 HE1 0.0162 -0.0002 0.0222 862 HIS 58 C 0.0002 -0.0063 0.0192 863 HIS 58 O -0.0001 -0.0030 0.0187 864 LYS 59 N 0.0054 0.0012 0.0161 865 LYS 59 HN -0.0021 0.0026 0.0158 866 LYS 59 CA 0.0054 -0.0018 0.0116 867 LYS 59 HA 0.0103 0.0006 0.0168 868 LYS 59 CB -0.0068 -0.0006 0.0095 869 LYS 59 HB1 -0.0066 -0.0033 0.0055 870 LYS 59 HB2 -0.0118 -0.0029 0.0044 871 LYS 59 CG -0.0131 0.0067 0.0184 872 LYS 59 HG1 -0.0214 0.0068 0.0161 873 LYS 59 HG2 -0.0151 0.0090 0.0213 874 LYS 59 CD -0.0064 0.0107 0.0267 875 LYS 59 HD1 -0.0121 0.0157 0.0324 876 LYS 59 HD2 0.0006 0.0115 0.0300 877 LYS 59 CE -0.0011 0.0078 0.0240 878 LYS 59 HE1 0.0030 0.0113 0.0306 879 LYS 59 HE2 0.0055 0.0031 0.0190 880 LYS 59 NZ -0.0096 0.0063 0.0191 881 LYS 59 HZ1 -0.0162 0.0105 0.0232 882 LYS 59 HZ2 -0.0128 0.0026 0.0124 883 LYS 59 HZ3 -0.0058 0.0047 0.0178 884 LYS 59 C 0.0112 -0.0091 0.0025 885 LYS 59 O 0.0162 -0.0113 0.0009 886 GLN 60 N 0.0095 0.0061 -0.0008 887 GLN 60 HN 0.0067 0.0095 0.0016 888 GLN 60 CA 0.0102 0.0069 -0.0024 889 GLN 60 HA 0.0135 0.0044 -0.0064 890 GLN 60 CB 0.0081 0.0146 -0.0040 891 GLN 60 HB1 0.0090 0.0147 -0.0056 892 GLN 60 HB2 0.0046 0.0170 0.0004 893 GLN 60 CG 0.0095 0.0192 -0.0094 894 GLN 60 HG1 0.0085 0.0242 -0.0110 895 GLN 60 HG2 0.0078 0.0204 -0.0073 896 GLN 60 CD 0.0142 0.0159 -0.0151 897 GLN 60 OE1 0.0155 0.0135 -0.0157 898 GLN 60 NE2 0.0169 0.0159 -0.0196 899 GLN 60 HE21 0.0158 0.0175 -0.0189 900 GLN 60 HE22 0.0199 0.0142 -0.0236 901 GLN 60 C 0.0083 0.0031 0.0033 902 GLN 60 O 0.0049 0.0034 0.0088 903 VAL 61 N 0.0055 0.0006 -0.0022 904 VAL 61 HN 0.0061 0.0007 -0.0028 905 VAL 61 CA 0.0038 -0.0007 -0.0009 906 VAL 61 HA 0.0035 -0.0018 -0.0015 907 VAL 61 CB 0.0032 -0.0018 -0.0011 908 VAL 61 HB 0.0037 -0.0007 -0.0007 909 VAL 61 CG1 0.0013 -0.0031 0.0004 910 VAL 61 HG11 0.0008 -0.0041 0.0001 911 VAL 61 HG12 0.0009 -0.0040 0.0001 912 VAL 61 HG13 0.0009 -0.0021 0.0020 913 VAL 61 CG2 0.0037 -0.0032 -0.0032 914 VAL 61 HG21 0.0032 -0.0041 -0.0033 915 VAL 61 HG22 0.0033 -0.0043 -0.0036 916 VAL 61 HG23 0.0050 -0.0024 -0.0043 917 VAL 61 C 0.0030 0.0003 0.0012 918 VAL 61 O 0.0034 0.0020 0.0022 919 TYR 62 N -0.0016 -0.0040 0.0082 920 TYR 62 HN -0.0011 -0.0051 0.0090 921 TYR 62 CA -0.0025 -0.0032 0.0098 922 TYR 62 HA -0.0032 -0.0018 0.0089 923 TYR 62 CB -0.0034 -0.0027 0.0121 924 TYR 62 HB1 -0.0028 -0.0042 0.0133 925 TYR 62 HB2 -0.0038 -0.0020 0.0116 926 TYR 62 CG -0.0046 -0.0013 0.0133 927 TYR 62 CD1 -0.0046 -0.0020 0.0154 928 TYR 62 HD1 -0.0038 -0.0036 0.0161 929 TYR 62 CE1 -0.0058 -0.0006 0.0165 930 TYR 62 HE1 -0.0058 -0.0011 0.0180 931 TYR 62 CZ -0.0069 0.0015 0.0155 932 TYR 62 OH -0.0080 0.0028 0.0166 933 TYR 62 HH -0.0085 0.0040 0.0154 934 TYR 62 CD2 -0.0058 0.0008 0.0125 935 TYR 62 HD2 -0.0057 0.0014 0.0109 936 TYR 62 CE2 -0.0069 0.0022 0.0136 937 TYR 62 HE2 -0.0078 0.0038 0.0129 938 TYR 62 C -0.0016 -0.0047 0.0102 939 TYR 62 O -0.0005 -0.0066 0.0103 940 LEU 63 N 0.0037 -0.0030 0.0048 941 LEU 63 HN 0.0030 -0.0031 0.0046 942 LEU 63 CA 0.0043 -0.0029 0.0043 943 LEU 63 HA 0.0049 -0.0028 0.0046 944 LEU 63 CB 0.0043 -0.0029 0.0034 945 LEU 63 HB1 0.0038 -0.0030 0.0030 946 LEU 63 HB2 0.0042 -0.0029 0.0034 947 LEU 63 CG 0.0052 -0.0028 0.0029 948 LEU 63 HG 0.0054 -0.0027 0.0030 949 LEU 63 CD1 0.0059 -0.0027 0.0033 950 LEU 63 HD11 0.0057 -0.0027 0.0033 951 LEU 63 HD12 0.0065 -0.0026 0.0030 952 LEU 63 HD13 0.0060 -0.0027 0.0040 953 LEU 63 CD2 0.0051 -0.0028 0.0020 954 LEU 63 HD21 0.0057 -0.0027 0.0016 955 LEU 63 HD22 0.0048 -0.0028 0.0019 956 LEU 63 HD23 0.0046 -0.0029 0.0017 957 LEU 63 C 0.0040 -0.0030 0.0043 958 LEU 63 O 0.0033 -0.0031 0.0041 959 SER 64 N 0.0086 -0.0072 0.0080 960 SER 64 HN 0.0078 -0.0056 0.0085 961 SER 64 CA 0.0093 -0.0074 0.0053 962 SER 64 HA 0.0103 -0.0092 0.0050 963 SER 64 CB 0.0089 -0.0061 0.0040 964 SER 64 HB1 0.0079 -0.0043 0.0045 965 SER 64 HB2 0.0092 -0.0068 0.0048 966 SER 64 OG 0.0095 -0.0061 0.0014 967 SER 64 HG1 0.0091 -0.0048 0.0006 968 SER 64 C 0.0092 -0.0066 0.0041 969 SER 64 O 0.0083 -0.0051 0.0049 970 HIS 65 N 0.0463 -0.0178 0.0135 971 HIS 65 HN 0.0602 -0.0351 0.0016 972 HIS 65 CA 0.0248 -0.0037 0.0046 973 HIS 65 HA 0.0142 0.0138 0.0228 974 HIS 65 CB 0.0350 -0.0141 0.0008 975 HIS 65 HB1 0.0452 -0.0318 -0.0184 976 HIS 65 HB2 0.0499 -0.0163 0.0232 977 HIS 65 CD2 0.0023 -0.0030 -0.0343 978 HIS 65 HD2 0.0078 -0.0181 -0.0566 979 HIS 65 CG 0.0128 0.0010 -0.0070 980 HIS 65 NE2 -0.0182 0.0167 -0.0293 981 HIS 65 HE2 -0.0307 0.0198 -0.0453 982 HIS 65 ND1 -0.0007 0.0229 0.0155 983 HIS 65 HD1 0.0032 0.0301 0.0377 984 HIS 65 CE1 -0.0193 0.0318 0.0009 985 HIS 65 HE1 -0.0344 0.0493 0.0110 986 HIS 65 C 0.0049 -0.0013 -0.0262 987 HIS 65 O 0.0115 -0.0186 -0.0509 988 HIS 66 N 0.0207 -0.0107 -0.0002 989 HIS 66 HN 0.0148 -0.0118 0.0122 990 HIS 66 CA 0.0063 -0.0139 -0.0148 991 HIS 66 HA -0.0081 -0.0168 -0.0080 992 HIS 66 CB 0.0069 -0.0138 -0.0175 993 HIS 66 HB1 -0.0052 -0.0165 -0.0280 994 HIS 66 HB2 0.0213 -0.0109 -0.0242 995 HIS 66 CD2 0.0109 -0.0126 0.0081 996 HIS 66 HD2 0.0208 -0.0107 0.0001 997 HIS 66 CG 0.0036 -0.0143 0.0019 998 HIS 66 NE2 0.0028 -0.0141 0.0271 999 HIS 66 HE2 0.0041 -0.0137 0.0352 1000 HIS 66 ND1 -0.0089 -0.0166 0.0166 1001 HIS 66 HD1 -0.0164 -0.0182 0.0163 1002 HIS 66 CE1 -0.0089 -0.0164 0.0314 1003 HIS 66 HE1 -0.0174 -0.0180 0.0456 1004 HIS 66 C 0.0064 -0.0142 -0.0348 1005 HIS 66 O 0.0185 -0.0117 -0.0382 1006 LEU 67 N 0.0186 -0.0168 -0.0115 1007 LEU 67 HN 0.0237 -0.0156 -0.0130 1008 LEU 67 CA 0.0146 -0.0116 -0.0068 1009 LEU 67 HA 0.0097 -0.0139 -0.0060 1010 LEU 67 CB 0.0181 -0.0062 -0.0052 1011 LEU 67 HB1 0.0233 -0.0038 -0.0060 1012 LEU 67 HB2 0.0191 -0.0089 -0.0071 1013 LEU 67 CG 0.0139 -0.0010 -0.0003 1014 LEU 67 HG 0.0142 0.0026 0.0017 1015 LEU 67 CD1 0.0062 -0.0037 0.0014 1016 LEU 67 HD11 0.0034 -0.0057 0.0016 1017 LEU 67 HD12 0.0056 -0.0078 -0.0006 1018 LEU 67 HD13 0.0036 0.0002 0.0048 1019 LEU 67 CD2 0.0172 0.0028 0.0005 1020 LEU 67 HD21 0.0144 0.0069 0.0040 1021 LEU 67 HD22 0.0169 -0.0005 -0.0013 1022 LEU 67 HD23 0.0228 0.0051 -0.0007 1023 LEU 67 C 0.0128 -0.0089 -0.0044 1024 LEU 67 O 0.0172 -0.0054 -0.0043 1025 HIS 68 N 0.0054 -0.0098 -0.0068 1026 HIS 68 HN 0.0044 -0.0107 -0.0100 1027 HIS 68 CA 0.0013 -0.0077 -0.0026 1028 HIS 68 HA 0.0009 -0.0072 -0.0015 1029 HIS 68 CB -0.0046 -0.0075 -0.0047 1030 HIS 68 HB1 -0.0044 -0.0079 -0.0059 1031 HIS 68 HB2 -0.0059 -0.0085 -0.0083 1032 HIS 68 CD2 -0.0133 -0.0043 0.0007 1033 HIS 68 HD2 -0.0141 -0.0046 -0.0006 1034 HIS 68 CG -0.0091 -0.0054 -0.0008 1035 HIS 68 NE2 -0.0163 -0.0025 0.0044 1036 HIS 68 HE2 -0.0192 -0.0012 0.0068 1037 HIS 68 ND1 -0.0095 -0.0044 0.0020 1038 HIS 68 HD1 -0.0070 -0.0049 0.0017 1039 HIS 68 CE1 -0.0139 -0.0026 0.0051 1040 HIS 68 HE1 -0.0154 -0.0014 0.0079 1041 HIS 68 C 0.0032 -0.0062 0.0025 1042 HIS 68 O 0.0061 -0.0067 0.0024 1043 GLY 69 N -0.0035 -0.0022 0.0099 1044 GLY 69 HN -0.0032 0.0034 0.0135 1045 GLY 69 CA -0.0028 0.0020 0.0132 1046 GLY 69 HA1 -0.0004 0.0096 0.0205 1047 GLY 69 HA2 0.0017 -0.0061 0.0143 1048 GLY 69 C -0.0116 0.0071 0.0049 1049 GLY 69 O -0.0121 0.0041 0.0025 1050 ASP 70 N -0.0268 -0.0031 0.0026 1051 ASP 70 HN -0.0268 0.0028 0.0067 1052 ASP 70 CA -0.0208 -0.0027 -0.0061 1053 ASP 70 HA -0.0214 -0.0090 -0.0095 1054 ASP 70 CB -0.0161 0.0054 -0.0074 1055 ASP 70 HB1 -0.0117 0.0049 -0.0141 1056 ASP 70 HB2 -0.0148 0.0120 -0.0047 1057 ASP 70 CG -0.0191 0.0050 -0.0032 1058 ASP 70 OD1 -0.0201 -0.0015 -0.0062 1059 ASP 70 OD2 -0.0207 0.0112 0.0034 1060 ASP 70 C -0.0181 -0.0022 -0.0096 1061 ASP 70 O -0.0194 0.0013 -0.0053 1062 HIS 71 N -0.0192 -0.0015 -0.0144 1063 HIS 71 HN -0.0177 -0.0034 -0.0200 1064 HIS 71 CA -0.0188 -0.0010 -0.0135 1065 HIS 71 HA -0.0219 -0.0041 -0.0181 1066 HIS 71 CB -0.0100 0.0016 -0.0153 1067 HIS 71 HB1 -0.0097 0.0017 -0.0152 1068 HIS 71 HB2 -0.0064 0.0048 -0.0108 1069 HIS 71 CD2 0.0002 0.0011 -0.0255 1070 HIS 71 HD2 0.0040 0.0041 -0.0217 1071 HIS 71 CG -0.0062 -0.0004 -0.0233 1072 HIS 71 NE2 0.0011 -0.0020 -0.0336 1073 HIS 71 HE2 0.0052 -0.0018 -0.0370 1074 HIS 71 ND1 -0.0094 -0.0044 -0.0300 1075 HIS 71 HD1 -0.0141 -0.0063 -0.0302 1076 HIS 71 CE1 -0.0049 -0.0052 -0.0360 1077 HIS 71 HE1 -0.0057 -0.0082 -0.0423 1078 HIS 71 C -0.0231 0.0006 -0.0059 1079 HIS 71 O -0.0193 0.0039 -0.0014 1080 SER 72 N -0.0143 0.0042 -0.0011 1081 SER 72 HN -0.0137 0.0057 -0.0019 1082 SER 72 CA -0.0143 0.0028 -0.0007 1083 SER 72 HA -0.0153 0.0014 0.0003 1084 SER 72 CB -0.0119 0.0016 -0.0016 1085 SER 72 HB1 -0.0120 0.0004 -0.0012 1086 SER 72 HB2 -0.0108 0.0030 -0.0026 1087 SER 72 OG -0.0109 0.0001 -0.0017 1088 SER 72 HG1 -0.0104 0.0012 -0.0023 1089 SER 72 C -0.0151 0.0043 -0.0007 1090 SER 72 O -0.0150 0.0035 -0.0005 1091 LEU 73 N -0.0165 0.0108 -0.0013 1092 LEU 73 HN -0.0173 0.0128 -0.0012 1093 LEU 73 CA -0.0170 0.0111 -0.0013 1094 LEU 73 HA -0.0159 0.0088 -0.0014 1095 LEU 73 CB -0.0155 0.0144 -0.0010 1096 LEU 73 HB1 -0.0155 0.0141 -0.0010 1097 LEU 73 HB2 -0.0171 0.0166 -0.0009 1098 LEU 73 CG -0.0117 0.0153 -0.0008 1099 LEU 73 HG -0.0116 0.0156 -0.0008 1100 LEU 73 CD1 -0.0107 0.0187 -0.0006 1101 LEU 73 HD11 -0.0081 0.0194 -0.0004 1102 LEU 73 HD12 -0.0125 0.0208 -0.0005 1103 LEU 73 HD13 -0.0107 0.0185 -0.0006 1104 LEU 73 CD2 -0.0092 0.0124 -0.0009 1105 LEU 73 HD21 -0.0098 0.0099 -0.0011 1106 LEU 73 HD22 -0.0065 0.0132 -0.0008 1107 LEU 73 HD23 -0.0092 0.0121 -0.0010 1108 LEU 73 C -0.0209 0.0110 -0.0014 1109 LEU 73 O -0.0229 0.0128 -0.0014 1110 PHE 74 N -0.0159 0.0041 0.0017 1111 PHE 74 HN -0.0162 0.0046 0.0014 1112 PHE 74 CA -0.0155 0.0043 0.0023 1113 PHE 74 HA -0.0152 0.0038 0.0026 1114 PHE 74 CB -0.0153 0.0047 0.0025 1115 PHE 74 HB1 -0.0150 0.0049 0.0030 1116 PHE 74 HB2 -0.0156 0.0052 0.0023 1117 PHE 74 CG -0.0154 0.0042 0.0025 1118 PHE 74 CD1 -0.0158 0.0042 0.0019 1119 PHE 74 HD1 -0.0161 0.0045 0.0015 1120 PHE 74 CE1 -0.0158 0.0037 0.0019 1121 PHE 74 HE1 -0.0161 0.0037 0.0014 1122 PHE 74 CZ -0.0154 0.0033 0.0023 1123 PHE 74 HZ -0.0154 0.0029 0.0023 1124 PHE 74 CD2 -0.0149 0.0038 0.0029 1125 PHE 74 HD2 -0.0146 0.0038 0.0034 1126 PHE 74 CE2 -0.0150 0.0033 0.0029 1127 PHE 74 HE2 -0.0146 0.0030 0.0032 1128 PHE 74 C -0.0153 0.0048 0.0026 1129 PHE 74 O -0.0156 0.0052 0.0022 1130 HIS 75 N -0.0148 0.0009 0.0079 1131 HIS 75 HN -0.0190 -0.0006 0.0084 1132 HIS 75 CA -0.0039 0.0031 0.0116 1133 HIS 75 HA 0.0003 0.0052 0.0095 1134 HIS 75 CB -0.0025 -0.0011 0.0233 1135 HIS 75 HB1 -0.0069 -0.0033 0.0255 1136 HIS 75 HB2 -0.0061 -0.0035 0.0266 1137 HIS 75 CD2 0.0179 0.0049 0.0253 1138 HIS 75 HD2 0.0202 0.0086 0.0177 1139 HIS 75 CG 0.0084 0.0004 0.0287 1140 HIS 75 NE2 0.0249 0.0038 0.0338 1141 HIS 75 HE2 0.0327 0.0064 0.0338 1142 HIS 75 ND1 0.0094 -0.0033 0.0392 1143 HIS 75 HD1 0.0038 -0.0070 0.0437 1144 HIS 75 CE1 0.0195 -0.0011 0.0419 1145 HIS 75 HE1 0.0232 -0.0029 0.0496 1146 HIS 75 C 0.0009 0.0066 0.0066 1147 HIS 75 O -0.0029 0.0052 0.0069 1148 LEU 76 N 0.0010 -0.0027 0.0128 1149 LEU 76 HN 0.0031 -0.0040 0.0148 1150 LEU 76 CA 0.0041 -0.0020 0.0065 1151 LEU 76 HA 0.0007 0.0000 0.0037 1152 LEU 76 CB 0.0071 -0.0020 0.0028 1153 LEU 76 HB1 0.0090 -0.0013 -0.0021 1154 LEU 76 HB2 0.0111 -0.0042 0.0054 1155 LEU 76 CG 0.0025 -0.0002 0.0023 1156 LEU 76 HG 0.0004 -0.0009 0.0072 1157 LEU 76 CD1 0.0062 -0.0007 -0.0006 1158 LEU 76 HD11 0.0086 -0.0002 -0.0055 1159 LEU 76 HD12 0.0029 0.0006 -0.0012 1160 LEU 76 HD13 0.0099 -0.0029 0.0026 1161 LEU 76 CD2 -0.0029 0.0029 -0.0019 1162 LEU 76 HD21 -0.0057 0.0033 0.0003 1163 LEU 76 HD22 -0.0061 0.0041 -0.0022 1164 LEU 76 HD23 -0.0009 0.0036 -0.0068 1165 LEU 76 C 0.0094 -0.0042 0.0075 1166 LEU 76 O 0.0140 -0.0067 0.0105 1167 GLU 77 N 0.0129 -0.0057 0.0075 1168 GLU 77 HN 0.0089 -0.0040 0.0050 1169 GLU 77 CA 0.0152 -0.0070 0.0072 1170 GLU 77 HA 0.0190 -0.0085 0.0107 1171 GLU 77 CB 0.0106 -0.0043 0.0086 1172 GLU 77 HB1 0.0127 -0.0055 0.0081 1173 GLU 77 HB2 0.0066 -0.0028 0.0050 1174 GLU 77 CG 0.0087 -0.0020 0.0158 1175 GLU 77 HG1 0.0053 -0.0002 0.0159 1176 GLU 77 HG2 0.0127 -0.0036 0.0191 1177 GLU 77 CD 0.0063 -0.0003 0.0186 1178 GLU 77 OE1 0.0014 0.0020 0.0163 1179 GLU 77 OE2 0.0091 -0.0009 0.0237 1180 GLU 77 C 0.0173 -0.0093 0.0003 1181 GLU 77 O 0.0138 -0.0083 -0.0048 1182 HIS 78 N 0.0175 -0.0192 -0.0040 1183 HIS 78 HN 0.0203 -0.0221 0.0017 1184 HIS 78 CA 0.0217 -0.0213 -0.0126 1185 HIS 78 HA 0.0179 -0.0177 -0.0178 1186 HIS 78 CB 0.0272 -0.0256 -0.0108 1187 HIS 78 HB1 0.0316 -0.0282 -0.0168 1188 HIS 78 HB2 0.0301 -0.0286 -0.0043 1189 HIS 78 CD2 0.0207 -0.0219 -0.0017 1190 HIS 78 HD2 0.0211 -0.0232 0.0056 1191 HIS 78 CG 0.0230 -0.0226 -0.0096 1192 HIS 78 NE2 0.0176 -0.0192 -0.0043 1193 HIS 78 HE2 0.0154 -0.0182 0.0000 1194 HIS 78 ND1 0.0214 -0.0204 -0.0172 1195 HIS 78 HD1 0.0225 -0.0204 -0.0241 1196 HIS 78 CE1 0.0181 -0.0184 -0.0136 1197 HIS 78 HE1 0.0161 -0.0164 -0.0180 1198 HIS 78 C 0.0264 -0.0242 -0.0170 1199 HIS 78 O 0.0306 -0.0279 -0.0123 1200 HIS 79 N 0.0029 -0.0405 0.0067 1201 HIS 79 HN -0.0100 -0.0332 -0.0087 1202 HIS 79 CA 0.0150 -0.0568 -0.0179 1203 HIS 79 HA 0.0365 -0.0712 -0.0013 1204 HIS 79 CB -0.0103 -0.0385 -0.0319 1205 HIS 79 HB1 -0.0017 -0.0513 -0.0547 1206 HIS 79 HB2 -0.0331 -0.0224 -0.0461 1207 HIS 79 CD2 -0.0462 0.0036 0.0153 1208 HIS 79 HD2 -0.0692 0.0213 0.0071 1209 HIS 79 CG -0.0179 -0.0239 0.0016 1210 HIS 79 NE2 -0.0410 0.0055 0.0417 1211 HIS 79 HE2 -0.0569 0.0228 0.0572 1212 HIS 79 ND1 0.0049 -0.0395 0.0180 1213 HIS 79 HD1 0.0275 -0.0602 0.0127 1214 HIS 79 CE1 -0.0100 -0.0209 0.0423 1215 HIS 79 HE1 0.0014 -0.0263 0.0608 1216 HIS 79 C 0.0227 -0.0729 -0.0574 1217 HIS 79 O 0.0017 -0.0609 -0.0825 1218 GLY 80 N -0.0056 0.0119 0.0005 1219 GLY 80 HN -0.0041 0.0300 -0.0022 1220 GLY 80 CA -0.0089 -0.0013 0.0043 1221 GLY 80 HA1 -0.0222 -0.0101 0.0163 1222 GLY 80 HA2 -0.0085 0.0118 0.0029 1223 GLY 80 C 0.0062 -0.0213 -0.0072 1224 GLY 80 O 0.0229 -0.0165 -0.0219 1225 GLY 81 N -0.0019 0.0873 0.0272 1226 GLY 81 HN 0.0128 0.0893 0.0679 1227 GLY 81 CA -0.0058 0.0755 0.0054 1228 GLY 81 HA1 0.0015 0.0890 0.0379 1229 GLY 81 HA2 -0.0272 0.0961 -0.0311 1230 GLY 81 C 0.0104 0.0141 -0.0117 1231 GLY 81 O 0.0062 -0.0016 -0.0380 1232 LYS 82 N -0.0019 0.0027 0.0016 1233 LYS 82 HN -0.0110 0.0116 0.0028 1234 LYS 82 CA 0.0074 -0.0027 -0.0020 1235 LYS 82 HA 0.0134 -0.0149 0.0013 1236 LYS 82 CB -0.0017 -0.0007 0.0037 1237 LYS 82 HB1 0.0056 -0.0046 0.0006 1238 LYS 82 HB2 -0.0079 0.0118 0.0003 1239 LYS 82 CG -0.0125 -0.0097 0.0178 1240 LYS 82 HG1 -0.0193 -0.0067 0.0210 1241 LYS 82 HG2 -0.0062 -0.0222 0.0211 1242 LYS 82 CD -0.0229 -0.0062 0.0235 1243 LYS 82 HD1 -0.0165 -0.0102 0.0212 1244 LYS 82 HD2 -0.0280 0.0066 0.0191 1245 LYS 82 CE -0.0352 -0.0132 0.0374 1246 LYS 82 HE1 -0.0426 -0.0098 0.0409 1247 LYS 82 HE2 -0.0418 -0.0087 0.0396 1248 LYS 82 NZ -0.0295 -0.0302 0.0441 1249 LYS 82 HZ1 -0.0228 -0.0348 0.0420 1250 LYS 82 HZ2 -0.0230 -0.0343 0.0418 1251 LYS 82 HZ3 -0.0379 -0.0348 0.0535 1252 LYS 82 C 0.0187 0.0055 -0.0159 1253 LYS 82 O 0.0159 0.0193 -0.0227 1254 VAL 83 N 0.0093 -0.0013 -0.0145 1255 VAL 83 HN 0.0086 -0.0007 -0.0154 1256 VAL 83 CA 0.0090 -0.0007 -0.0124 1257 VAL 83 HA 0.0096 -0.0013 -0.0117 1258 VAL 83 CB 0.0095 -0.0011 -0.0113 1259 VAL 83 HB 0.0106 -0.0023 -0.0116 1260 VAL 83 CG1 0.0087 -0.0004 -0.0121 1261 VAL 83 HG11 0.0092 -0.0008 -0.0114 1262 VAL 83 HG12 0.0088 -0.0007 -0.0138 1263 VAL 83 HG13 0.0076 0.0008 -0.0118 1264 VAL 83 CG2 0.0095 -0.0008 -0.0090 1265 VAL 83 HG21 0.0100 -0.0012 -0.0082 1266 VAL 83 HG22 0.0084 0.0004 -0.0087 1267 VAL 83 HG23 0.0100 -0.0013 -0.0085 1268 VAL 83 C 0.0075 0.0009 -0.0121 1269 VAL 83 O 0.0066 0.0018 -0.0132 1270 SER 84 N 0.0039 0.0037 -0.0078 1271 SER 84 HN 0.0058 0.0029 -0.0061 1272 SER 84 CA 0.0006 0.0050 -0.0062 1273 SER 84 HA -0.0013 0.0058 -0.0082 1274 SER 84 CB 0.0005 0.0051 -0.0048 1275 SER 84 HB1 0.0023 0.0043 -0.0026 1276 SER 84 HB2 0.0012 0.0048 -0.0071 1277 SER 84 OG -0.0028 0.0064 -0.0036 1278 SER 84 HG1 -0.0028 0.0063 -0.0030 1279 SER 84 C -0.0001 0.0052 -0.0031 1280 SER 84 O 0.0022 0.0043 -0.0011 1281 ILE 85 N -0.0029 0.0047 -0.0032 1282 ILE 85 HN -0.0037 0.0056 -0.0044 1283 ILE 85 CA -0.0056 0.0046 -0.0018 1284 ILE 85 HA -0.0045 0.0037 -0.0008 1285 ILE 85 CB -0.0080 0.0065 -0.0041 1286 ILE 85 HB -0.0095 0.0072 -0.0047 1287 ILE 85 CG2 -0.0107 0.0063 -0.0026 1288 ILE 85 HG21 -0.0124 0.0077 -0.0043 1289 ILE 85 HG22 -0.0123 0.0055 -0.0006 1290 ILE 85 HG23 -0.0093 0.0055 -0.0019 1291 ILE 85 CG1 -0.0061 0.0078 -0.0072 1292 ILE 85 HG11 -0.0081 0.0091 -0.0088 1293 ILE 85 HG12 -0.0046 0.0080 -0.0084 1294 ILE 85 CD -0.0038 0.0070 -0.0069 1295 ILE 85 HD1 -0.0022 0.0079 -0.0091 1296 ILE 85 HD2 -0.0054 0.0070 -0.0062 1297 ILE 85 HD3 -0.0020 0.0056 -0.0052 1298 ILE 85 C -0.0076 0.0036 0.0008 1299 ILE 85 O -0.0090 0.0042 0.0003 1300 LYS 86 N -0.0066 0.0010 0.0050 1301 LYS 86 HN -0.0046 0.0017 0.0048 1302 LYS 86 CA -0.0091 -0.0007 0.0081 1303 LYS 86 HA -0.0115 -0.0013 0.0075 1304 LYS 86 CB -0.0070 -0.0013 0.0120 1305 LYS 86 HB1 -0.0057 -0.0007 0.0115 1306 LYS 86 HB2 -0.0091 -0.0026 0.0142 1307 LYS 86 CG -0.0038 -0.0008 0.0137 1308 LYS 86 HG1 -0.0051 -0.0014 0.0145 1309 LYS 86 HG2 -0.0017 0.0005 0.0115 1310 LYS 86 CD -0.0018 -0.0013 0.0173 1311 LYS 86 HD1 -0.0003 -0.0005 0.0163 1312 LYS 86 HD2 -0.0039 -0.0026 0.0193 1313 LYS 86 CE 0.0013 -0.0010 0.0194 1314 LYS 86 HE1 -0.0001 -0.0018 0.0207 1315 LYS 86 HE2 0.0033 0.0003 0.0173 1316 LYS 86 NZ 0.0035 -0.0012 0.0225 1317 LYS 86 HZ1 0.0020 -0.0019 0.0232 1318 LYS 86 HZ2 0.0061 -0.0001 0.0213 1319 LYS 86 HZ3 0.0044 -0.0017 0.0248 1320 LYS 86 C -0.0108 -0.0013 0.0083 1321 LYS 86 O -0.0094 -0.0004 0.0068 1322 GLY 87 N -0.0031 -0.0040 0.0074 1323 GLY 87 HN -0.0015 -0.0047 0.0078 1324 GLY 87 CA -0.0049 -0.0051 0.0061 1325 GLY 87 HA1 -0.0046 -0.0052 0.0062 1326 GLY 87 HA2 -0.0066 -0.0043 0.0058 1327 GLY 87 C -0.0047 -0.0076 0.0051 1328 GLY 87 O -0.0035 -0.0083 0.0053 1329 HIS 88 N 0.0112 -0.0048 -0.0127 1330 HIS 88 HN 0.0079 -0.0014 -0.0105 1331 HIS 88 CA 0.0109 -0.0098 -0.0111 1332 HIS 88 HA 0.0128 -0.0150 -0.0115 1333 HIS 88 CB 0.0049 -0.0104 -0.0054 1334 HIS 88 HB1 0.0029 -0.0054 -0.0048 1335 HIS 88 HB2 0.0027 -0.0110 -0.0031 1336 HIS 88 CD2 0.0015 -0.0174 -0.0004 1337 HIS 88 HD2 -0.0014 -0.0134 0.0013 1338 HIS 88 CG 0.0044 -0.0168 -0.0033 1339 HIS 88 NE2 0.0029 -0.0244 0.0001 1340 HIS 88 HE2 0.0016 -0.0266 0.0019 1341 HIS 88 ND1 0.0077 -0.0234 -0.0046 1342 HIS 88 HD1 0.0102 -0.0245 -0.0067 1343 HIS 88 CE1 0.0066 -0.0277 -0.0025 1344 HIS 88 HE1 0.0086 -0.0334 -0.0030 1345 HIS 88 C 0.0142 -0.0085 -0.0146 1346 HIS 88 O 0.0152 -0.0024 -0.0170 1347 HIS 89 N 0.0376 -0.0113 -0.0243 1348 HIS 89 HN 0.0498 -0.0140 -0.0124 1349 HIS 89 CA 0.0219 -0.0005 -0.0256 1350 HIS 89 HA 0.0265 0.0035 -0.0115 1351 HIS 89 CB 0.0021 0.0142 -0.0251 1352 HIS 89 HB1 -0.0084 0.0223 -0.0245 1353 HIS 89 HB2 -0.0040 0.0111 -0.0397 1354 HIS 89 CD2 0.0004 0.0264 -0.0043 1355 HIS 89 HD2 -0.0047 0.0235 -0.0169 1356 HIS 89 CG 0.0044 0.0227 -0.0058 1357 HIS 89 NE2 0.0036 0.0353 0.0172 1358 HIS 89 HE2 0.0011 0.0407 0.0240 1359 HIS 89 ND1 0.0101 0.0291 0.0143 1360 HIS 89 HD1 0.0139 0.0282 0.0181 1361 HIS 89 CE1 0.0095 0.0365 0.0277 1362 HIS 89 HE1 0.0127 0.0433 0.0450 1363 HIS 89 C 0.0197 -0.0089 -0.0447 1364 HIS 89 O 0.0062 -0.0015 -0.0494 1365 HIS 90 N 0.0025 -0.0114 -0.0049 1366 HIS 90 HN 0.0034 -0.0107 -0.0077 1367 HIS 90 CA 0.0040 -0.0097 -0.0034 1368 HIS 90 HA 0.0060 -0.0077 -0.0055 1369 HIS 90 CB 0.0051 -0.0081 0.0013 1370 HIS 90 HB1 0.0059 -0.0072 0.0024 1371 HIS 90 HB2 0.0033 -0.0099 0.0037 1372 HIS 90 CD2 0.0078 -0.0053 0.0008 1373 HIS 90 HD2 0.0060 -0.0073 0.0001 1374 HIS 90 CG 0.0078 -0.0054 0.0014 1375 HIS 90 NE2 0.0108 -0.0022 0.0011 1376 HIS 90 HE2 0.0115 -0.0015 0.0007 1377 HIS 90 ND1 0.0107 -0.0022 0.0023 1378 HIS 90 HD1 0.0113 -0.0015 0.0033 1379 HIS 90 CE1 0.0124 -0.0004 0.0020 1380 HIS 90 HE1 0.0148 0.0021 0.0026 1381 HIS 90 C 0.0024 -0.0115 -0.0043 1382 HIS 90 O 0.0032 -0.0105 -0.0025 1383 HIS 91 N -0.0062 -0.0083 -0.0068 1384 HIS 91 HN -0.0025 -0.0068 -0.0065 1385 HIS 91 CA -0.0054 -0.0101 -0.0041 1386 HIS 91 HA -0.0084 -0.0096 -0.0065 1387 HIS 91 CB 0.0011 -0.0078 -0.0033 1388 HIS 91 HB1 0.0016 -0.0090 -0.0014 1389 HIS 91 HB2 0.0044 -0.0082 -0.0008 1390 HIS 91 CD2 0.0073 0.0006 -0.0099 1391 HIS 91 HD2 0.0110 0.0007 -0.0080 1392 HIS 91 CG 0.0027 -0.0029 -0.0083 1393 HIS 91 NE2 0.0061 0.0042 -0.0150 1394 HIS 91 HE2 0.0084 0.0074 -0.0175 1395 HIS 91 ND1 -0.0012 -0.0016 -0.0121 1396 HIS 91 HD1 -0.0049 -0.0035 -0.0119 1397 HIS 91 CE1 0.0010 0.0027 -0.0161 1398 HIS 91 HE1 -0.0011 0.0049 -0.0199 1399 HIS 91 C -0.0067 -0.0150 0.0011 1400 HIS 91 O -0.0060 -0.0168 0.0037 1401 TYR 92 N -0.0093 -0.0057 -0.0013 1402 TYR 92 HN -0.0088 -0.0068 -0.0002 1403 TYR 92 CA -0.0088 -0.0033 -0.0017 1404 TYR 92 HA -0.0092 -0.0021 -0.0027 1405 TYR 92 CB -0.0069 -0.0024 0.0002 1406 TYR 92 HB1 -0.0065 -0.0007 -0.0001 1407 TYR 92 HB2 -0.0064 -0.0037 0.0013 1408 TYR 92 CG -0.0061 -0.0018 0.0010 1409 TYR 92 CD1 -0.0057 -0.0036 0.0021 1410 TYR 92 HD1 -0.0061 -0.0054 0.0024 1411 TYR 92 CE1 -0.0050 -0.0031 0.0028 1412 TYR 92 HE1 -0.0048 -0.0045 0.0036 1413 TYR 92 CZ -0.0045 -0.0007 0.0024 1414 TYR 92 OH -0.0038 -0.0002 0.0030 1415 TYR 92 HH -0.0037 0.0015 0.0025 1416 TYR 92 CD2 -0.0055 0.0005 0.0006 1417 TYR 92 HD2 -0.0057 0.0019 -0.0002 1418 TYR 92 CE2 -0.0047 0.0011 0.0013 1419 TYR 92 HE2 -0.0043 0.0029 0.0010 1420 TYR 92 C -0.0096 -0.0032 -0.0028 1421 TYR 92 O -0.0097 -0.0046 -0.0022 1422 ILE 93 N -0.0043 0.0001 -0.0045 1423 ILE 93 HN -0.0040 -0.0000 -0.0045 1424 ILE 93 CA -0.0048 0.0009 -0.0049 1425 ILE 93 HA -0.0054 0.0008 -0.0048 1426 ILE 93 CB -0.0053 0.0011 -0.0050 1427 ILE 93 HB -0.0047 0.0012 -0.0052 1428 ILE 93 CG2 -0.0058 0.0004 -0.0044 1429 ILE 93 HG21 -0.0061 0.0006 -0.0044 1430 ILE 93 HG22 -0.0063 0.0003 -0.0042 1431 ILE 93 HG23 -0.0053 -0.0001 -0.0041 1432 ILE 93 CG1 -0.0059 0.0019 -0.0054 1433 ILE 93 HG11 -0.0065 0.0018 -0.0051 1434 ILE 93 HG12 -0.0056 0.0023 -0.0058 1435 ILE 93 CD -0.0062 0.0022 -0.0055 1436 ILE 93 HD1 -0.0056 0.0023 -0.0057 1437 ILE 93 HD2 -0.0067 0.0027 -0.0058 1438 ILE 93 HD3 -0.0066 0.0018 -0.0051 1439 ILE 93 C -0.0043 0.0015 -0.0055 1440 ILE 93 O -0.0036 0.0016 -0.0058 1441 SER 94 N 0.0025 0.0010 -0.0107 1442 SER 94 HN 0.0021 0.0002 -0.0111 1443 SER 94 CA 0.0030 0.0011 -0.0097 1444 SER 94 HA 0.0034 0.0019 -0.0092 1445 SER 94 CB 0.0031 -0.0002 -0.0087 1446 SER 94 HB1 0.0027 -0.0011 -0.0092 1447 SER 94 HB2 0.0032 -0.0003 -0.0085 1448 SER 94 OG 0.0037 -0.0001 -0.0076 1449 SER 94 HG1 0.0035 -0.0002 -0.0078 1450 SER 94 C 0.0027 0.0011 -0.0102 1451 SER 94 O 0.0022 0.0003 -0.0110 1452 ALA 95 N 0.0058 0.0018 -0.0109 1453 ALA 95 HN 0.0044 0.0032 -0.0099 1454 ALA 95 CA 0.0066 0.0001 -0.0094 1455 ALA 95 HA 0.0079 -0.0012 -0.0109 1456 ALA 95 CB 0.0051 0.0016 -0.0084 1457 ALA 95 HB1 0.0037 0.0028 -0.0068 1458 ALA 95 HB2 0.0057 0.0004 -0.0072 1459 ALA 95 HB3 0.0048 0.0028 -0.0103 1460 ALA 95 C 0.0070 -0.0015 -0.0067 1461 ALA 95 O 0.0057 -0.0006 -0.0049 1462 ASP 96 N 0.0118 -0.0040 -0.0091 1463 ASP 96 HN 0.0139 -0.0044 -0.0099 1464 ASP 96 CA 0.0122 -0.0054 -0.0070 1465 ASP 96 HA 0.0107 -0.0045 -0.0074 1466 ASP 96 CB 0.0160 -0.0066 -0.0074 1467 ASP 96 HB1 0.0165 -0.0077 -0.0057 1468 ASP 96 HB2 0.0176 -0.0074 -0.0070 1469 ASP 96 CG 0.0174 -0.0053 -0.0107 1470 ASP 96 OD1 0.0205 -0.0061 -0.0114 1471 ASP 96 OD2 0.0153 -0.0035 -0.0126 1472 ASP 96 C 0.0108 -0.0067 -0.0036 1473 ASP 96 O 0.0101 -0.0067 -0.0031 1474 HIS 97 N 0.0107 -0.0101 -0.0001 1475 HIS 97 HN 0.0068 -0.0112 0.0048 1476 HIS 97 CA 0.0101 -0.0153 -0.0001 1477 HIS 97 HA 0.0115 -0.0092 -0.0008 1478 HIS 97 CB 0.0028 -0.0208 0.0081 1479 HIS 97 HB1 0.0024 -0.0244 0.0079 1480 HIS 97 HB2 0.0013 -0.0273 0.0088 1481 HIS 97 CD2 -0.0039 -0.0062 0.0192 1482 HIS 97 HD2 -0.0019 -0.0046 0.0170 1483 HIS 97 CG -0.0022 -0.0130 0.0158 1484 HIS 97 NE2 -0.0089 -0.0010 0.0264 1485 HIS 97 HE2 -0.0105 0.0056 0.0296 1486 HIS 97 ND1 -0.0060 -0.0125 0.0207 1487 HIS 97 HD1 -0.0059 -0.0168 0.0198 1488 HIS 97 CE1 -0.0099 -0.0052 0.0270 1489 HIS 97 HE1 -0.0136 -0.0025 0.0320 1490 HIS 97 C 0.0147 -0.0239 -0.0075 1491 HIS 97 O 0.0164 -0.0263 -0.0101 1492 HIS 98 N 0.0230 -0.0296 -0.0206 1493 HIS 98 HN 0.0185 -0.0225 -0.0119 1494 HIS 98 CA 0.0138 -0.0151 -0.0106 1495 HIS 98 HA 0.0230 -0.0296 -0.0061 1496 HIS 98 CB 0.0007 0.0055 -0.0359 1497 HIS 98 HB1 -0.0086 0.0202 -0.0410 1498 HIS 98 HB2 0.0078 -0.0056 -0.0583 1499 HIS 98 CD2 -0.0260 0.0477 -0.0246 1500 HIS 98 HD2 -0.0367 0.0646 -0.0296 1501 HIS 98 CG -0.0090 0.0208 -0.0265 1502 HIS 98 NE2 -0.0274 0.0499 -0.0145 1503 HIS 98 HE2 -0.0383 0.0670 -0.0111 1504 HIS 98 ND1 0.0002 0.0063 -0.0174 1505 HIS 98 HD1 0.0130 -0.0138 -0.0162 1506 HIS 98 CE1 -0.0113 0.0245 -0.0106 1507 HIS 98 HE1 -0.0082 0.0196 -0.0033 1508 HIS 98 C 0.0044 -0.0003 0.0206 1509 HIS 98 O 0.0005 0.0059 0.0285 1510 GLY 99 N 0.0056 -0.0072 -0.0034 1511 GLY 99 HN 0.0055 -0.0104 -0.0008 1512 GLY 99 CA 0.0102 -0.0040 -0.0038 1513 GLY 99 HA1 0.0109 -0.0012 -0.0058 1514 GLY 99 HA2 0.0132 -0.0056 -0.0011 1515 GLY 99 C 0.0099 -0.0024 -0.0053 1516 GLY 99 O 0.0064 -0.0042 -0.0055 1517 HIS 100 N 0.0160 0.0031 -0.0143 1518 HIS 100 HN 0.0200 0.0052 -0.0141 1519 HIS 100 CA 0.0148 0.0037 -0.0168 1520 HIS 100 HA 0.0137 0.0013 -0.0135 1521 HIS 100 CB 0.0202 0.0075 -0.0184 1522 HIS 100 HB1 0.0193 0.0079 -0.0202 1523 HIS 100 HB2 0.0214 0.0099 -0.0218 1524 HIS 100 CD2 0.0256 0.0052 -0.0081 1525 HIS 100 HD2 0.0224 0.0025 -0.0062 1526 HIS 100 CG 0.0251 0.0077 -0.0134 1527 HIS 100 NE2 0.0313 0.0071 -0.0054 1528 HIS 100 HE2 0.0332 0.0061 -0.0015 1529 HIS 100 ND1 0.0304 0.0109 -0.0140 1530 HIS 100 HD1 0.0313 0.0132 -0.0175 1531 HIS 100 CE1 0.0340 0.0104 -0.0091 1532 HIS 100 HE1 0.0386 0.0126 -0.0083 1533 HIS 100 C 0.0100 0.0038 -0.0223 1534 HIS 100 O 0.0097 0.0058 -0.0266 1535 VAL 101 N 0.0086 -0.0022 -0.0128 1536 VAL 101 HN 0.0082 -0.0023 -0.0118 1537 VAL 101 CA 0.0074 -0.0026 -0.0143 1538 VAL 101 HA 0.0073 -0.0027 -0.0146 1539 VAL 101 CB 0.0056 -0.0032 -0.0137 1540 VAL 101 HB 0.0058 -0.0031 -0.0131 1541 VAL 101 CG1 0.0042 -0.0037 -0.0152 1542 VAL 101 HG11 0.0047 -0.0036 -0.0164 1543 VAL 101 HG12 0.0040 -0.0038 -0.0158 1544 VAL 101 HG13 0.0030 -0.0041 -0.0147 1545 VAL 101 CG2 0.0049 -0.0034 -0.0122 1546 VAL 101 HG21 0.0047 -0.0034 -0.0127 1547 VAL 101 HG22 0.0058 -0.0030 -0.0110 1548 VAL 101 HG23 0.0036 -0.0038 -0.0117 1549 VAL 101 C 0.0081 -0.0025 -0.0160 1550 VAL 101 O 0.0090 -0.0022 -0.0159 1551 SER 102 N 0.0089 -0.0043 -0.0115 1552 SER 102 HN 0.0095 -0.0048 -0.0123 1553 SER 102 CA 0.0087 -0.0048 -0.0112 1554 SER 102 HA 0.0080 -0.0045 -0.0102 1555 SER 102 CB 0.0092 -0.0038 -0.0121 1556 SER 102 HB1 0.0089 -0.0025 -0.0122 1557 SER 102 HB2 0.0089 -0.0039 -0.0118 1558 SER 102 OG 0.0101 -0.0042 -0.0135 1559 SER 102 HG1 0.0103 -0.0035 -0.0140 1560 SER 102 C 0.0090 -0.0065 -0.0112 1561 SER 102 O 0.0090 -0.0075 -0.0108 1562 THR 103 N 0.0055 -0.0067 0.0001 1563 THR 103 HN 0.0049 -0.0056 -0.0004 1564 THR 103 CA 0.0061 -0.0078 0.0006 1565 THR 103 HA 0.0067 -0.0089 0.0001 1566 THR 103 CB 0.0061 -0.0079 0.0027 1567 THR 103 HB 0.0063 -0.0082 0.0033 1568 THR 103 OG1 0.0068 -0.0090 0.0033 1569 THR 103 HG1 0.0069 -0.0092 0.0046 1570 THR 103 CG2 0.0053 -0.0062 0.0036 1571 THR 103 HG21 0.0053 -0.0063 0.0051 1572 THR 103 HG22 0.0047 -0.0053 0.0032 1573 THR 103 HG23 0.0051 -0.0058 0.0031 1574 THR 103 C 0.0058 -0.0071 -0.0003 1575 THR 103 O 0.0050 -0.0057 -0.0006 1576 LYS 104 N -0.0091 -0.0088 -0.0026 1577 LYS 104 HN -0.0091 -0.0072 -0.0029 1578 LYS 104 CA -0.0073 -0.0109 -0.0006 1579 LYS 104 HA -0.0082 -0.0132 -0.0008 1580 LYS 104 CB -0.0051 -0.0100 0.0012 1581 LYS 104 HB1 -0.0059 -0.0100 0.0005 1582 LYS 104 HB2 -0.0039 -0.0119 0.0026 1583 LYS 104 CG -0.0035 -0.0069 0.0019 1584 LYS 104 HG1 -0.0024 -0.0071 0.0029 1585 LYS 104 HG2 -0.0047 -0.0050 0.0005 1586 LYS 104 CD -0.0017 -0.0059 0.0032 1587 LYS 104 HD1 -0.0028 -0.0054 0.0021 1588 LYS 104 HD2 -0.0008 -0.0079 0.0044 1589 LYS 104 CE 0.0001 -0.0029 0.0042 1590 LYS 104 HE1 0.0011 -0.0034 0.0052 1591 LYS 104 HE2 -0.0008 -0.0009 0.0029 1592 LYS 104 NZ 0.0019 -0.0021 0.0055 1593 LYS 104 HZ1 0.0035 -0.0010 0.0067 1594 LYS 104 HZ2 0.0024 -0.0040 0.0063 1595 LYS 104 HZ3 0.0015 -0.0004 0.0048 1596 LYS 104 C -0.0065 -0.0113 0.0002 1597 LYS 104 O -0.0068 -0.0093 -0.0005 1598 GLU 105 N -0.0163 -0.0180 -0.0041 1599 GLU 105 HN -0.0196 -0.0193 -0.0033 1600 GLU 105 CA -0.0161 -0.0117 -0.0013 1601 GLU 105 HA -0.0113 -0.0097 -0.0024 1602 GLU 105 CB -0.0187 -0.0073 0.0017 1603 GLU 105 HB1 -0.0237 -0.0092 0.0030 1604 GLU 105 HB2 -0.0157 -0.0072 0.0005 1605 GLU 105 CG -0.0184 -0.0004 0.0047 1606 GLU 105 HG1 -0.0134 0.0016 0.0035 1607 GLU 105 HG2 -0.0216 -0.0001 0.0062 1608 GLU 105 CD -0.0202 0.0039 0.0074 1609 GLU 105 OE1 -0.0159 0.0070 0.0069 1610 GLU 105 OE2 -0.0261 0.0042 0.0100 1611 GLU 105 C -0.0201 -0.0120 0.0002 1612 GLU 105 O -0.0254 -0.0154 0.0009 1613 HIS 106 N -0.0140 -0.0086 -0.0013 1614 HIS 106 HN -0.0136 -0.0092 0.0005 1615 HIS 106 CA -0.0162 -0.0115 -0.0039 1616 HIS 106 HA -0.0170 -0.0131 -0.0042 1617 HIS 106 CB -0.0173 -0.0099 -0.0083 1618 HIS 106 HB1 -0.0190 -0.0124 -0.0101 1619 HIS 106 HB2 -0.0167 -0.0082 -0.0085 1620 HIS 106 CD2 -0.0161 -0.0033 -0.0118 1621 HIS 106 HD2 -0.0153 -0.0011 -0.0118 1622 HIS 106 CG -0.0171 -0.0073 -0.0103 1623 HIS 106 NE2 -0.0162 -0.0023 -0.0130 1624 HIS 106 HE2 -0.0153 0.0004 -0.0135 1625 HIS 106 ND1 -0.0179 -0.0089 -0.0107 1626 HIS 106 HD1 -0.0187 -0.0117 -0.0100 1627 HIS 106 CE1 -0.0173 -0.0058 -0.0123 1628 HIS 106 HE1 -0.0176 -0.0060 -0.0129 1629 HIS 106 C -0.0169 -0.0147 -0.0023 1630 HIS 106 O -0.0158 -0.0140 -0.0004 1631 HIS 107 N -0.0052 -0.0019 -0.0014 1632 HIS 107 HN -0.0046 -0.0031 -0.0009 1633 HIS 107 CA -0.0050 0.0012 -0.0018 1634 HIS 107 HA -0.0069 0.0020 -0.0027 1635 HIS 107 CB -0.0043 0.0018 -0.0017 1636 HIS 107 HB1 -0.0025 0.0006 -0.0007 1637 HIS 107 HB2 -0.0060 0.0010 -0.0022 1638 HIS 107 CD2 -0.0012 0.0064 -0.0013 1639 HIS 107 HD2 0.0008 0.0056 -0.0003 1640 HIS 107 CG -0.0036 0.0049 -0.0020 1641 HIS 107 NE2 -0.0017 0.0092 -0.0020 1642 HIS 107 HE2 -0.0003 0.0108 -0.0018 1643 HIS 107 ND1 -0.0057 0.0068 -0.0031 1644 HIS 107 HD1 -0.0076 0.0063 -0.0038 1645 HIS 107 CE1 -0.0044 0.0093 -0.0031 1646 HIS 107 HE1 -0.0054 0.0113 -0.0039 1647 HIS 107 C -0.0029 0.0028 -0.0013 1648 HIS 107 O -0.0007 0.0018 -0.0003 1649 ASP 108 N -0.0001 0.0090 0.0001 1650 ASP 108 HN -0.0035 0.0106 -0.0014 1651 ASP 108 CA 0.0034 0.0119 0.0020 1652 ASP 108 HA 0.0069 0.0115 0.0037 1653 ASP 108 CB 0.0036 0.0095 0.0019 1654 ASP 108 HB1 0.0002 0.0105 0.0004 1655 ASP 108 HB2 0.0038 0.0050 0.0017 1656 ASP 108 CG 0.0079 0.0109 0.0041 1657 ASP 108 OD1 0.0106 0.0145 0.0057 1658 ASP 108 OD2 0.0083 0.0084 0.0042 1659 ASP 108 C 0.0019 0.0179 0.0017 1660 ASP 108 O -0.0021 0.0197 -0.0001 1661 HIS 109 N 0.0109 0.0183 -0.0038 1662 HIS 109 HN 0.0160 0.0180 -0.0050 1663 HIS 109 CA 0.0083 0.0229 0.0018 1664 HIS 109 HA 0.0027 0.0223 0.0020 1665 HIS 109 CB 0.0117 0.0255 0.0042 1666 HIS 109 HB1 0.0110 0.0294 0.0086 1667 HIS 109 HB2 0.0175 0.0252 0.0029 1668 HIS 109 CD2 0.0106 0.0211 -0.0006 1669 HIS 109 HD2 0.0159 0.0202 -0.0024 1670 HIS 109 CG 0.0080 0.0233 0.0023 1671 HIS 109 NE2 0.0051 0.0198 -0.0012 1672 HIS 109 HE2 0.0055 0.0180 -0.0032 1673 HIS 109 ND1 0.0009 0.0235 0.0036 1674 HIS 109 HD1 -0.0025 0.0248 0.0057 1675 HIS 109 CE1 -0.0006 0.0212 0.0013 1676 HIS 109 HE1 -0.0059 0.0207 0.0016 1677 HIS 109 C 0.0091 0.0261 0.0053 1678 HIS 109 O 0.0051 0.0292 0.0094 1679 ASP 110 N 0.0041 0.0187 0.0016 1680 ASP 110 HN 0.0047 0.0175 0.0029 1681 ASP 110 CA 0.0040 0.0167 -0.0006 1682 ASP 110 HA 0.0041 0.0170 -0.0000 1683 ASP 110 CB 0.0047 0.0130 -0.0006 1684 ASP 110 HB1 0.0045 0.0116 -0.0026 1685 ASP 110 HB2 0.0047 0.0128 -0.0009 1686 ASP 110 CG 0.0058 0.0113 0.0025 1687 ASP 110 OD1 0.0060 0.0128 0.0046 1688 ASP 110 OD2 0.0064 0.0084 0.0026 1689 ASP 110 C 0.0030 0.0175 -0.0042 1690 ASP 110 O 0.0026 0.0168 -0.0062 1691 THR 111 N -0.0010 0.0123 -0.0049 1692 THR 111 HN 0.0007 0.0119 -0.0036 1693 THR 111 CA -0.0030 0.0119 -0.0060 1694 THR 111 HA -0.0049 0.0121 -0.0073 1695 THR 111 CB -0.0034 0.0089 -0.0050 1696 THR 111 HB -0.0052 0.0085 -0.0060 1697 THR 111 OG1 -0.0012 0.0085 -0.0035 1698 THR 111 HG1 -0.0013 0.0098 -0.0041 1699 THR 111 CG2 -0.0036 0.0065 -0.0042 1700 THR 111 HG21 -0.0018 0.0067 -0.0031 1701 THR 111 HG22 -0.0039 0.0043 -0.0034 1702 THR 111 HG23 -0.0053 0.0065 -0.0053 1703 THR 111 C -0.0024 0.0142 -0.0066 1704 THR 111 O -0.0036 0.0140 -0.0072 1705 THR 112 N 0.0023 0.0142 -0.0020 1706 THR 112 HN 0.0017 0.0148 -0.0032 1707 THR 112 CA 0.0026 0.0115 -0.0022 1708 THR 112 HA 0.0034 0.0110 -0.0006 1709 THR 112 CB 0.0018 0.0106 -0.0043 1710 THR 112 HB 0.0010 0.0109 -0.0059 1711 THR 112 OG1 0.0016 0.0118 -0.0043 1712 THR 112 HG1 0.0012 0.0136 -0.0045 1713 THR 112 CG2 0.0022 0.0077 -0.0043 1714 THR 112 HG21 0.0030 0.0073 -0.0026 1715 THR 112 HG22 0.0015 0.0072 -0.0057 1716 THR 112 HG23 0.0022 0.0066 -0.0044 1717 THR 112 C 0.0028 0.0101 -0.0023 1718 THR 112 O 0.0020 0.0107 -0.0036 1719 PHE 113 N 0.0040 0.0044 -0.0063 1720 PHE 113 HN 0.0039 0.0033 -0.0055 1721 PHE 113 CA 0.0039 0.0049 -0.0057 1722 PHE 113 HA 0.0041 0.0060 -0.0068 1723 PHE 113 CB 0.0035 0.0059 -0.0035 1724 PHE 113 HB1 0.0034 0.0065 -0.0031 1725 PHE 113 HB2 0.0033 0.0046 -0.0024 1726 PHE 113 CG 0.0034 0.0077 -0.0033 1727 PHE 113 CD1 0.0030 0.0077 -0.0017 1728 PHE 113 HD1 0.0029 0.0064 -0.0006 1729 PHE 113 CE1 0.0030 0.0094 -0.0015 1730 PHE 113 HE1 0.0027 0.0094 -0.0003 1731 PHE 113 CZ 0.0032 0.0110 -0.0029 1732 PHE 113 HZ 0.0032 0.0123 -0.0028 1733 PHE 113 CD2 0.0036 0.0094 -0.0047 1734 PHE 113 HD2 0.0038 0.0094 -0.0059 1735 PHE 113 CE2 0.0035 0.0110 -0.0045 1736 PHE 113 HE2 0.0037 0.0123 -0.0056 1737 PHE 113 C 0.0040 0.0029 -0.0057 1738 PHE 113 O 0.0040 0.0012 -0.0058 1739 GLU 114 N 0.0059 -0.0146 0.0005 1740 GLU 114 HN 0.0058 -0.0161 0.0004 1741 GLU 114 CA 0.0066 -0.0184 0.0004 1742 GLU 114 HA 0.0080 -0.0163 0.0010 1743 GLU 114 CB 0.0014 -0.0214 -0.0013 1744 GLU 114 HB1 0.0021 -0.0243 -0.0014 1745 GLU 114 HB2 0.0001 -0.0237 -0.0019 1746 GLU 114 CG -0.0033 -0.0174 -0.0023 1747 GLU 114 HG1 -0.0046 -0.0148 -0.0024 1748 GLU 114 HG2 -0.0020 -0.0146 -0.0017 1749 GLU 114 CD -0.0082 -0.0205 -0.0039 1750 GLU 114 OE1 -0.0119 -0.0176 -0.0046 1751 GLU 114 OE2 -0.0083 -0.0256 -0.0044 1752 GLU 114 C 0.0109 -0.0226 0.0012 1753 GLU 114 O 0.0121 -0.0234 0.0014 1754 GLU 115 N 0.0081 -0.0104 0.0022 1755 GLU 115 HN 0.0100 -0.0103 0.0033 1756 GLU 115 CA 0.0102 -0.0122 -0.0001 1757 GLU 115 HA 0.0101 -0.0114 0.0013 1758 GLU 115 CB 0.0150 -0.0135 0.0000 1759 GLU 115 HB1 0.0166 -0.0152 -0.0021 1760 GLU 115 HB2 0.0152 -0.0141 -0.0008 1761 GLU 115 CG 0.0176 -0.0120 0.0042 1762 GLU 115 HG1 0.0161 -0.0103 0.0065 1763 GLU 115 HG2 0.0176 -0.0116 0.0049 1764 GLU 115 CD 0.0223 -0.0133 0.0043 1765 GLU 115 OE1 0.0243 -0.0154 0.0016 1766 GLU 115 OE2 0.0239 -0.0123 0.0071 1767 GLU 115 C 0.0082 -0.0140 -0.0045 1768 GLU 115 O 0.0061 -0.0145 -0.0064 1769 ILE 116 N 0.0037 -0.0134 0.0046 1770 ILE 116 HN 0.0011 -0.0144 0.0098 1771 ILE 116 CA 0.0030 -0.0078 -0.0001 1772 ILE 116 HA 0.0056 -0.0065 -0.0055 1773 ILE 116 CB -0.0029 -0.0011 0.0021 1774 ILE 116 HB -0.0056 -0.0026 0.0078 1775 ILE 116 CG2 -0.0043 0.0018 0.0013 1776 ILE 116 HG21 -0.0034 -0.0023 0.0040 1777 ILE 116 HG22 -0.0088 0.0062 0.0035 1778 ILE 116 HG23 -0.0020 0.0037 -0.0045 1779 ILE 116 CG1 -0.0041 0.0045 -0.0021 1780 ILE 116 HG11 -0.0014 0.0061 -0.0078 1781 ILE 116 HG12 -0.0029 0.0023 -0.0015 1782 ILE 116 CD -0.0101 0.0111 0.0005 1783 ILE 116 HD1 -0.0128 0.0096 0.0062 1784 ILE 116 HD2 -0.0107 0.0149 -0.0026 1785 ILE 116 HD3 -0.0115 0.0138 -0.0003 1786 ILE 116 C 0.0051 -0.0107 -0.0003 1787 ILE 116 O 0.0035 -0.0138 0.0053 1788 ILE 117 N 0.0105 -0.0405 -0.0024 1789 ILE 117 HN 0.0079 -0.0478 0.0088 1790 ILE 117 CA 0.0050 -0.0305 -0.0013 1791 ILE 117 HA 0.0052 -0.0189 -0.0117 1792 ILE 117 CB -0.0075 -0.0240 0.0156 1793 ILE 117 HB -0.0082 -0.0354 0.0267 1794 ILE 117 CG2 -0.0127 -0.0164 0.0183 1795 ILE 117 HG21 -0.0219 -0.0111 0.0302 1796 ILE 117 HG22 -0.0085 -0.0269 0.0198 1797 ILE 117 HG23 -0.0118 -0.0056 0.0072 1798 ILE 117 CG1 -0.0148 -0.0095 0.0160 1799 ILE 117 HG11 -0.0111 -0.0019 0.0027 1800 ILE 117 HG12 -0.0236 -0.0000 0.0235 1801 ILE 117 CD -0.0161 -0.0167 0.0246 1802 ILE 117 HD1 -0.0077 -0.0256 0.0173 1803 ILE 117 HD2 -0.0200 -0.0240 0.0381 1804 ILE 117 HD3 -0.0218 -0.0054 0.0251 1805 ILE 117 C 0.0120 -0.0415 -0.0041 1806 ILE 117 O 0.0157 -0.0572 0.0030 1807 ILE 118 N -0.0017 0.0030 -0.0036 1808 ILE 118 HN -0.0072 0.0040 -0.0080 1809 ILE 118 CA -0.0124 0.0346 0.0176 1810 ILE 118 HA 0.0005 0.0037 -0.0008 1811 ILE 118 CB -0.0140 0.0032 -0.0155 1812 ILE 118 HB -0.0211 0.0071 -0.0185 1813 ILE 118 CG2 -0.0182 0.0067 -0.0160 1814 ILE 118 HG21 -0.0237 0.0038 -0.0243 1815 ILE 118 HG22 -0.0227 0.0155 -0.0115 1816 ILE 118 HG23 -0.0113 0.0035 -0.0125 1817 ILE 118 CG1 -0.0095 -0.0089 -0.0232 1818 ILE 118 HG11 -0.0157 -0.0109 -0.0313 1819 ILE 118 HG12 -0.0079 -0.0110 -0.0237 1820 ILE 118 CD 0.0010 -0.0161 -0.0201 1821 ILE 118 HD1 0.0038 -0.0246 -0.0259 1822 ILE 118 HD2 -0.0003 -0.0147 -0.0200 1823 ILE 118 HD3 0.0075 -0.0145 -0.0121 1824 ILE 118 C -0.0113 0.0187 0.0028 1825 ILE 118 OT1 -0.0179 0.0241 0.0017 1826 ILE 118 OT2 -0.0080 0.0168 0.0040