1 ASN 3 N 0.0133 0.0123 -0.0080 2 ASN 3 HN 0.0108 0.0133 -0.0099 3 ASN 3 CA 0.0172 0.0114 -0.0056 4 ASN 3 HA 0.0185 0.0091 -0.0032 5 ASN 3 CB 0.0154 0.0098 -0.0050 6 ASN 3 HB1 0.0184 0.0091 -0.0032 7 ASN 3 HB2 0.0139 0.0121 -0.0075 8 ASN 3 CG 0.0116 0.0057 -0.0034 9 ASN 3 OD1 0.0127 0.0025 -0.0003 10 ASN 3 ND2 0.0069 0.0059 -0.0056 11 ASN 3 HD21 0.0044 0.0032 -0.0046 12 ASN 3 HD22 0.0061 0.0086 -0.0082 13 ASN 3 C 0.0216 0.0151 -0.0067 14 ASN 3 O 0.0217 0.0185 -0.0094 15 ARG 4 N 0.0167 0.0145 -0.0014 16 ARG 4 HN 0.0165 0.0184 0.0036 17 ARG 4 CA 0.0191 0.0125 -0.0044 18 ARG 4 HA 0.0179 0.0083 -0.0097 19 ARG 4 CB 0.0138 0.0148 -0.0006 20 ARG 4 HB1 0.0150 0.0127 -0.0035 21 ARG 4 HB2 0.0160 0.0191 0.0046 22 ARG 4 CG 0.0041 0.0143 0.0003 23 ARG 4 HG1 0.0013 0.0160 0.0029 24 ARG 4 HG2 0.0028 0.0168 0.0037 25 ARG 4 CD -0.0001 0.0086 -0.0064 26 ARG 4 HD1 0.0025 0.0070 -0.0089 27 ARG 4 HD2 0.0010 0.0061 -0.0099 28 ARG 4 NE -0.0094 0.0090 -0.0044 29 ARG 4 HE -0.0116 0.0122 0.0000 30 ARG 4 CZ -0.0149 0.0057 -0.0079 31 ARG 4 NH1 -0.0127 0.0015 -0.0136 32 ARG 4 HH11 -0.0065 0.0013 -0.0149 33 ARG 4 HH12 -0.0167 -0.0005 -0.0156 34 ARG 4 NH2 -0.0229 0.0065 -0.0055 35 ARG 4 HH21 -0.0271 0.0041 -0.0080 36 ARG 4 HH22 -0.0247 0.0097 -0.0011 37 ARG 4 C 0.0285 0.0141 -0.0038 38 ARG 4 O 0.0318 0.0117 -0.0074 39 ALA 5 N 0.0189 0.0130 -0.0008 40 ALA 5 HN 0.0182 0.0121 -0.0007 41 ALA 5 CA 0.0197 0.0141 -0.0012 42 ALA 5 HA 0.0205 0.0150 -0.0011 43 ALA 5 CB 0.0199 0.0137 -0.0000 44 ALA 5 HB1 0.0204 0.0145 -0.0003 45 ALA 5 HB2 0.0204 0.0137 0.0012 46 ALA 5 HB3 0.0190 0.0128 -0.0000 47 ALA 5 C 0.0190 0.0143 -0.0029 48 ALA 5 O 0.0180 0.0133 -0.0035 49 PHE 6 N 0.0135 0.0089 -0.0065 50 PHE 6 HN 0.0143 0.0090 -0.0063 51 PHE 6 CA 0.0128 0.0093 -0.0072 52 PHE 6 HA 0.0119 0.0091 -0.0072 53 PHE 6 CB 0.0131 0.0102 -0.0081 54 PHE 6 HB1 0.0128 0.0106 -0.0086 55 PHE 6 HB2 0.0140 0.0104 -0.0081 56 PHE 6 CG 0.0125 0.0103 -0.0084 57 PHE 6 CD1 0.0129 0.0101 -0.0081 58 PHE 6 HD1 0.0137 0.0100 -0.0076 59 PHE 6 CE1 0.0123 0.0101 -0.0083 60 PHE 6 HE1 0.0126 0.0100 -0.0080 61 PHE 6 CZ 0.0113 0.0103 -0.0088 62 PHE 6 HZ 0.0108 0.0103 -0.0090 63 PHE 6 CD2 0.0114 0.0105 -0.0090 64 PHE 6 HD2 0.0111 0.0106 -0.0092 65 PHE 6 CE2 0.0108 0.0105 -0.0092 66 PHE 6 HE2 0.0100 0.0106 -0.0096 67 PHE 6 C 0.0130 0.0093 -0.0071 68 PHE 6 O 0.0138 0.0092 -0.0067 69 LYS 7 N 0.0093 0.0098 -0.0067 70 LYS 7 HN 0.0092 0.0104 -0.0065 71 LYS 7 CA 0.0085 0.0092 -0.0063 72 LYS 7 HA 0.0086 0.0085 -0.0065 73 LYS 7 CB 0.0080 0.0087 -0.0061 74 LYS 7 HB1 0.0084 0.0081 -0.0065 75 LYS 7 HB2 0.0073 0.0082 -0.0058 76 LYS 7 CG 0.0078 0.0094 -0.0058 77 LYS 7 HG1 0.0075 0.0101 -0.0055 78 LYS 7 HG2 0.0084 0.0097 -0.0062 79 LYS 7 CD 0.0071 0.0090 -0.0055 80 LYS 7 HD1 0.0074 0.0084 -0.0058 81 LYS 7 HD2 0.0065 0.0086 -0.0052 82 LYS 7 CE 0.0067 0.0098 -0.0051 83 LYS 7 HE1 0.0061 0.0094 -0.0048 84 LYS 7 HE2 0.0065 0.0104 -0.0048 85 LYS 7 NZ 0.0073 0.0102 -0.0054 86 LYS 7 HZ1 0.0073 0.0097 -0.0055 87 LYS 7 HZ2 0.0079 0.0104 -0.0057 88 LYS 7 HZ3 0.0071 0.0109 -0.0051 89 LYS 7 C 0.0078 0.0098 -0.0058 90 LYS 7 O 0.0078 0.0107 -0.0056 91 SER 8 N 0.0062 0.0021 -0.0045 92 SER 8 HN 0.0062 0.0017 -0.0046 93 SER 8 CA 0.0062 0.0014 -0.0036 94 SER 8 HA 0.0064 0.0020 -0.0033 95 SER 8 CB 0.0060 0.0004 -0.0041 96 SER 8 HB1 0.0059 0.0007 -0.0048 97 SER 8 HB2 0.0060 -0.0000 -0.0035 98 SER 8 OG 0.0058 -0.0004 -0.0045 99 SER 8 HG1 0.0058 -0.0000 -0.0051 100 SER 8 C 0.0063 0.0011 -0.0027 101 SER 8 O 0.0063 0.0011 -0.0028 102 HIS 9 N 0.0055 -0.0007 -0.0081 103 HIS 9 HN 0.0054 -0.0013 -0.0087 104 HIS 9 CA 0.0066 -0.0007 -0.0071 105 HIS 9 HA 0.0070 -0.0012 -0.0072 106 HIS 9 CB 0.0073 -0.0014 -0.0070 107 HIS 9 HB1 0.0082 -0.0014 -0.0063 108 HIS 9 HB2 0.0070 -0.0010 -0.0070 109 HIS 9 CD2 0.0071 -0.0033 -0.0087 110 HIS 9 HD2 0.0066 -0.0030 -0.0089 111 HIS 9 CG 0.0075 -0.0027 -0.0079 112 HIS 9 NE2 0.0074 -0.0044 -0.0092 113 HIS 9 HE2 0.0072 -0.0050 -0.0100 114 HIS 9 ND1 0.0081 -0.0033 -0.0079 115 HIS 9 HD1 0.0085 -0.0031 -0.0073 116 HIS 9 CE1 0.0080 -0.0044 -0.0087 117 HIS 9 HE1 0.0084 -0.0051 -0.0090 118 HIS 9 C 0.0066 0.0004 -0.0062 119 HIS 9 O 0.0063 0.0010 -0.0060 120 HIS 10 N -0.0027 -0.0047 -0.0013 121 HIS 10 HN 0.0032 -0.0043 -0.0004 122 HIS 10 CA -0.0066 -0.0056 0.0056 123 HIS 10 HA -0.0122 -0.0058 0.0034 124 HIS 10 CB -0.0004 -0.0054 0.0098 125 HIS 10 HB1 -0.0036 -0.0061 0.0149 126 HIS 10 HB2 0.0049 -0.0053 0.0128 127 HIS 10 CD2 0.0116 -0.0039 0.0019 128 HIS 10 HD2 0.0171 -0.0036 0.0034 129 HIS 10 CG 0.0034 -0.0047 0.0040 130 HIS 10 NE2 0.0117 -0.0035 -0.0026 131 HIS 10 HE2 0.0168 -0.0029 -0.0049 132 HIS 10 ND1 -0.0015 -0.0048 0.0010 133 HIS 10 HD1 -0.0078 -0.0053 0.0017 134 HIS 10 CE1 0.0036 -0.0041 -0.0029 135 HIS 10 HE1 0.0018 -0.0039 -0.0060 136 HIS 10 C -0.0092 -0.0063 0.0125 137 HIS 10 O -0.0116 -0.0071 0.0194 138 GLY 11 N 0.0026 0.0001 0.0020 139 GLY 11 HN 0.0028 -0.0001 0.0010 140 GLY 11 CA 0.0023 0.0006 0.0015 141 GLY 11 HA1 0.0021 0.0007 0.0026 142 GLY 11 HA2 0.0018 0.0016 0.0008 143 GLY 11 C 0.0030 -0.0004 0.0004 144 GLY 11 O 0.0029 0.0000 -0.0001 145 HIS 12 N 0.0009 -0.0032 -0.0002 146 HIS 12 HN -0.0008 -0.0032 0.0019 147 HIS 12 CA 0.0021 -0.0052 -0.0028 148 HIS 12 HA 0.0026 -0.0072 -0.0044 149 HIS 12 CB 0.0004 -0.0073 -0.0016 150 HIS 12 HB1 0.0015 -0.0083 -0.0036 151 HIS 12 HB2 -0.0004 -0.0053 0.0003 152 HIS 12 CD2 -0.0028 -0.0141 -0.0010 153 HIS 12 HD2 -0.0022 -0.0150 -0.0023 154 HIS 12 CG -0.0019 -0.0107 -0.0005 155 HIS 12 NE2 -0.0049 -0.0163 0.0005 156 HIS 12 HE2 -0.0060 -0.0189 0.0006 157 HIS 12 ND1 -0.0034 -0.0107 0.0013 158 HIS 12 HD1 -0.0032 -0.0086 0.0021 159 HIS 12 CE1 -0.0051 -0.0142 0.0019 160 HIS 12 HE1 -0.0066 -0.0152 0.0031 161 HIS 12 C 0.0047 -0.0026 -0.0047 162 HIS 12 O 0.0050 0.0007 -0.0035 163 PHE 13 N 0.0021 0.0020 -0.0014 164 PHE 13 HN 0.0024 -0.0009 -0.0017 165 PHE 13 CA 0.0041 0.0044 -0.0043 166 PHE 13 HA 0.0035 0.0074 -0.0037 167 PHE 13 CB 0.0059 0.0029 -0.0065 168 PHE 13 HB1 0.0073 0.0050 -0.0085 169 PHE 13 HB2 0.0067 -0.0000 -0.0075 170 PHE 13 CG 0.0045 0.0024 -0.0047 171 PHE 13 CD1 0.0033 0.0056 -0.0033 172 PHE 13 HD1 0.0034 0.0085 -0.0036 173 PHE 13 CE1 0.0020 0.0052 -0.0015 174 PHE 13 HE1 0.0010 0.0077 -0.0004 175 PHE 13 CZ 0.0018 0.0014 -0.0011 176 PHE 13 HZ 0.0008 0.0010 0.0004 177 PHE 13 CD2 0.0044 -0.0014 -0.0042 178 PHE 13 HD2 0.0053 -0.0039 -0.0053 179 PHE 13 CE2 0.0030 -0.0019 -0.0024 180 PHE 13 HE2 0.0029 -0.0048 -0.0021 181 PHE 13 C 0.0055 0.0046 -0.0061 182 PHE 13 O 0.0056 0.0017 -0.0061 183 LEU 14 N 0.0094 0.0038 -0.0045 184 LEU 14 HN 0.0097 0.0042 -0.0045 185 LEU 14 CA 0.0088 0.0032 -0.0045 186 LEU 14 HA 0.0086 0.0028 -0.0043 187 LEU 14 CB 0.0091 0.0029 -0.0041 188 LEU 14 HB1 0.0086 0.0025 -0.0041 189 LEU 14 HB2 0.0092 0.0033 -0.0043 190 LEU 14 CG 0.0097 0.0027 -0.0034 191 LEU 14 HG 0.0101 0.0032 -0.0034 192 LEU 14 CD1 0.0098 0.0024 -0.0031 193 LEU 14 HD11 0.0094 0.0019 -0.0030 194 LEU 14 HD12 0.0103 0.0023 -0.0026 195 LEU 14 HD13 0.0100 0.0028 -0.0032 196 LEU 14 CD2 0.0095 0.0022 -0.0032 197 LEU 14 HD21 0.0095 0.0025 -0.0034 198 LEU 14 HD22 0.0100 0.0021 -0.0027 199 LEU 14 HD23 0.0091 0.0018 -0.0032 200 LEU 14 C 0.0082 0.0035 -0.0051 201 LEU 14 O 0.0083 0.0040 -0.0055 202 SER 15 N 0.0131 0.0066 -0.0041 203 SER 15 HN 0.0124 0.0064 -0.0037 204 SER 15 CA 0.0133 0.0063 -0.0049 205 SER 15 HA 0.0140 0.0065 -0.0050 206 SER 15 CB 0.0129 0.0058 -0.0058 207 SER 15 HB1 0.0130 0.0056 -0.0063 208 SER 15 HB2 0.0122 0.0055 -0.0056 209 SER 15 OG 0.0135 0.0059 -0.0061 210 SER 15 HG1 0.0137 0.0062 -0.0056 211 SER 15 C 0.0129 0.0062 -0.0047 212 SER 15 O 0.0122 0.0062 -0.0041 213 ALA 16 N 0.0148 0.0101 -0.0035 214 ALA 16 HN 0.0149 0.0113 -0.0042 215 ALA 16 CA 0.0117 0.0086 -0.0026 216 ALA 16 HA 0.0119 0.0071 -0.0017 217 ALA 16 CB 0.0110 0.0070 -0.0016 218 ALA 16 HB1 0.0131 0.0056 -0.0008 219 ALA 16 HB2 0.0108 0.0084 -0.0025 220 ALA 16 HB3 0.0088 0.0057 -0.0009 221 ALA 16 C 0.0089 0.0106 -0.0038 222 ALA 16 O 0.0085 0.0127 -0.0052 223 GLU 17 N 0.0037 0.0088 -0.0058 224 GLU 17 HN 0.0034 0.0078 -0.0038 225 GLU 17 CA 0.0012 0.0087 -0.0078 226 GLU 17 HA 0.0015 0.0097 -0.0096 227 GLU 17 CB 0.0001 0.0086 -0.0085 228 GLU 17 HB1 -0.0021 0.0081 -0.0094 229 GLU 17 HB2 0.0003 0.0078 -0.0066 230 GLU 17 CG 0.0016 0.0102 -0.0107 231 GLU 17 HG1 0.0038 0.0108 -0.0099 232 GLU 17 HG2 0.0013 0.0110 -0.0126 233 GLU 17 CD 0.0003 0.0099 -0.0112 234 GLU 17 OE1 0.0018 0.0107 -0.0115 235 GLU 17 OE2 -0.0023 0.0088 -0.0109 236 GLU 17 C -0.0013 0.0072 -0.0067 237 GLU 17 O -0.0019 0.0059 -0.0045 238 GLY 18 N -0.0041 0.0073 -0.0096 239 GLY 18 HN -0.0033 0.0084 -0.0120 240 GLY 18 CA -0.0091 0.0065 -0.0061 241 GLY 18 HA1 -0.0119 0.0078 -0.0069 242 GLY 18 HA2 -0.0107 0.0072 -0.0066 243 GLY 18 C -0.0083 0.0032 -0.0009 244 GLY 18 O -0.0062 0.0013 0.0013 245 GLU 19 N -0.0095 0.0089 -0.0016 246 GLU 19 HN -0.0151 0.0219 -0.0129 247 GLU 19 CA -0.0092 0.0088 0.0076 248 GLU 19 HA -0.0038 -0.0032 0.0226 249 GLU 19 CB -0.0188 0.0333 0.0171 250 GLU 19 HB1 -0.0184 0.0331 0.0235 251 GLU 19 HB2 -0.0244 0.0459 0.0017 252 GLU 19 CG -0.0215 0.0421 0.0393 253 GLU 19 HG1 -0.0222 0.0433 0.0345 254 GLU 19 HG2 -0.0162 0.0303 0.0553 255 GLU 19 CD -0.0309 0.0661 0.0483 256 GLU 19 OE1 -0.0327 0.0704 0.0488 257 GLU 19 OE2 -0.0364 0.0802 0.0548 258 GLU 19 C -0.0071 0.0021 -0.0125 259 GLU 19 O -0.0080 0.0045 -0.0086 260 ALA 20 N -0.0020 0.0060 0.0055 261 ALA 20 HN -0.0020 0.0074 0.0036 262 ALA 20 CA 0.0008 0.0050 0.0048 263 ALA 20 HA 0.0014 0.0030 0.0070 264 ALA 20 CB -0.0007 0.0068 0.0035 265 ALA 20 HB1 0.0013 0.0060 0.0031 266 ALA 20 HB2 -0.0032 0.0069 0.0053 267 ALA 20 HB3 -0.0012 0.0089 0.0011 268 ALA 20 C 0.0042 0.0048 0.0024 269 ALA 20 O 0.0046 0.0058 0.0009 270 VAL 21 N 0.0058 0.0011 0.0039 271 VAL 21 HN 0.0058 0.0003 0.0045 272 VAL 21 CA 0.0078 0.0013 0.0028 273 VAL 21 HA 0.0077 0.0022 0.0021 274 VAL 21 CB 0.0093 -0.0006 0.0037 275 VAL 21 HB 0.0096 -0.0015 0.0043 276 VAL 21 CG1 0.0114 -0.0003 0.0026 277 VAL 21 HG11 0.0123 0.0003 0.0017 278 VAL 21 HG12 0.0111 0.0005 0.0020 279 VAL 21 HG13 0.0124 -0.0017 0.0032 280 VAL 21 CG2 0.0081 -0.0014 0.0049 281 VAL 21 HG21 0.0092 -0.0027 0.0055 282 VAL 21 HG22 0.0076 -0.0005 0.0044 283 VAL 21 HG23 0.0067 -0.0018 0.0058 284 VAL 21 C 0.0088 0.0020 0.0018 285 VAL 21 O 0.0087 0.0015 0.0023 286 LYS 22 N 0.0098 0.0033 0.0002 287 LYS 22 HN 0.0104 0.0027 0.0000 288 LYS 22 CA 0.0089 0.0034 -0.0007 289 LYS 22 HA 0.0084 0.0040 -0.0004 290 LYS 22 CB 0.0083 0.0036 -0.0013 291 LYS 22 HB1 0.0081 0.0041 -0.0006 292 LYS 22 HB2 0.0076 0.0038 -0.0019 293 LYS 22 CG 0.0089 0.0028 -0.0018 294 LYS 22 HG1 0.0088 0.0023 -0.0027 295 LYS 22 HG2 0.0098 0.0024 -0.0014 296 LYS 22 CD 0.0087 0.0030 -0.0017 297 LYS 22 HD1 0.0093 0.0023 -0.0020 298 LYS 22 HD2 0.0089 0.0034 -0.0008 299 LYS 22 CE 0.0076 0.0034 -0.0024 300 LYS 22 HE1 0.0071 0.0041 -0.0020 301 LYS 22 HE2 0.0075 0.0030 -0.0033 302 LYS 22 NZ 0.0076 0.0034 -0.0024 303 LYS 22 HZ1 0.0070 0.0035 -0.0030 304 LYS 22 HZ2 0.0078 0.0037 -0.0017 305 LYS 22 HZ3 0.0083 0.0027 -0.0027 306 LYS 22 C 0.0093 0.0027 -0.0015 307 LYS 22 O 0.0101 0.0019 -0.0016 308 THR 23 N 0.0064 -0.0013 -0.0043 309 THR 23 HN 0.0057 -0.0005 -0.0042 310 THR 23 CA 0.0058 -0.0024 -0.0051 311 THR 23 HA 0.0066 -0.0029 -0.0049 312 THR 23 CB 0.0043 -0.0018 -0.0054 313 THR 23 HB 0.0035 -0.0014 -0.0056 314 THR 23 OG1 0.0045 -0.0006 -0.0048 315 THR 23 HG1 0.0035 -0.0003 -0.0050 316 THR 23 CG2 0.0037 -0.0030 -0.0062 317 THR 23 HG21 0.0027 -0.0025 -0.0064 318 THR 23 HG22 0.0034 -0.0039 -0.0068 319 THR 23 HG23 0.0046 -0.0035 -0.0061 320 THR 23 C 0.0056 -0.0037 -0.0058 321 THR 23 O 0.0051 -0.0035 -0.0059 322 HIS 24 N -0.0012 -0.0111 -0.0064 323 HIS 24 HN -0.0010 -0.0084 -0.0063 324 HIS 24 CA -0.0011 -0.0141 -0.0069 325 HIS 24 HA -0.0017 -0.0168 -0.0063 326 HIS 24 CB 0.0013 -0.0143 -0.0105 327 HIS 24 HB1 0.0019 -0.0115 -0.0112 328 HIS 24 HB2 0.0022 -0.0149 -0.0119 329 HIS 24 CD2 0.0031 -0.0173 -0.0137 330 HIS 24 HD2 0.0043 -0.0150 -0.0152 331 HIS 24 CG 0.0017 -0.0173 -0.0115 332 HIS 24 NE2 0.0029 -0.0209 -0.0138 333 HIS 24 HE2 0.0039 -0.0219 -0.0153 334 HIS 24 ND1 0.0005 -0.0208 -0.0101 335 HIS 24 HD1 -0.0007 -0.0216 -0.0084 336 HIS 24 CE1 0.0013 -0.0229 -0.0116 337 HIS 24 HE1 0.0008 -0.0258 -0.0111 338 HIS 24 C -0.0024 -0.0135 -0.0048 339 HIS 24 O -0.0025 -0.0104 -0.0043 340 HIS 25 N -0.0015 -0.0239 -0.0068 341 HIS 25 HN 0.0013 -0.0288 -0.0073 342 HIS 25 CA -0.0059 -0.0241 -0.0004 343 HIS 25 HA -0.0094 -0.0195 0.0015 344 HIS 25 CB -0.0060 -0.0314 0.0051 345 HIS 25 HB1 -0.0069 -0.0314 0.0064 346 HIS 25 HB2 -0.0091 -0.0317 0.0098 347 HIS 25 CD2 0.0007 -0.0431 0.0039 348 HIS 25 HD2 -0.0013 -0.0429 0.0066 349 HIS 25 CG -0.0009 -0.0382 0.0027 350 HIS 25 NE2 0.0056 -0.0487 0.0008 351 HIS 25 HE2 0.0079 -0.0530 0.0006 352 HIS 25 ND1 0.0029 -0.0407 -0.0010 353 HIS 25 HD1 0.0027 -0.0383 -0.0025 354 HIS 25 CE1 0.0068 -0.0470 -0.0021 355 HIS 25 HE1 0.0104 -0.0503 -0.0049 356 HIS 25 C -0.0057 -0.0234 -0.0011 357 HIS 25 O -0.0097 -0.0210 0.0030 358 GLY 26 N -0.0081 -0.0218 -0.0044 359 GLY 26 HN -0.0058 -0.0229 -0.0064 360 GLY 26 CA -0.0103 -0.0208 -0.0029 361 GLY 26 HA1 -0.0133 -0.0192 -0.0037 362 GLY 26 HA2 -0.0090 -0.0214 -0.0046 363 GLY 26 C -0.0101 -0.0213 0.0019 364 GLY 26 O -0.0075 -0.0228 0.0042 365 HIS 27 N -0.0191 -0.0236 0.0065 366 HIS 27 HN -0.0213 -0.0252 0.0061 367 HIS 27 CA -0.0191 -0.0202 0.0086 368 HIS 27 HA -0.0204 -0.0205 0.0087 369 HIS 27 CB -0.0153 -0.0180 0.0090 370 HIS 27 HB1 -0.0157 -0.0155 0.0106 371 HIS 27 HB2 -0.0138 -0.0176 0.0089 372 HIS 27 CD2 -0.0094 -0.0208 0.0059 373 HIS 27 HD2 -0.0077 -0.0208 0.0056 374 HIS 27 CG -0.0128 -0.0196 0.0074 375 HIS 27 NE2 -0.0084 -0.0221 0.0049 376 HIS 27 HE2 -0.0062 -0.0234 0.0036 377 HIS 27 ND1 -0.0140 -0.0202 0.0074 378 HIS 27 HD1 -0.0163 -0.0196 0.0083 379 HIS 27 CE1 -0.0113 -0.0217 0.0058 380 HIS 27 HE1 -0.0113 -0.0226 0.0053 381 HIS 27 C -0.0218 -0.0186 0.0101 382 HIS 27 O -0.0216 -0.0190 0.0099 383 HIS 28 N -0.0379 -0.0189 0.0039 384 HIS 28 HN -0.0332 -0.0303 -0.0039 385 HIS 28 CA -0.0382 -0.0169 0.0192 386 HIS 28 HA -0.0328 -0.0293 0.0182 387 HIS 28 CB -0.0450 -0.0020 0.0155 388 HIS 28 HB1 -0.0438 -0.0058 0.0018 389 HIS 28 HB2 -0.0445 -0.0021 0.0275 390 HIS 28 CD2 -0.0590 0.0280 -0.0027 391 HIS 28 HD2 -0.0581 0.0249 -0.0170 392 HIS 28 CG -0.0536 0.0171 0.0130 393 HIS 28 NE2 -0.0664 0.0451 0.0012 394 HIS 28 HE2 -0.0714 0.0556 -0.0079 395 HIS 28 ND1 -0.0578 0.0280 0.0272 396 HIS 28 HD1 -0.0557 0.0244 0.0407 397 HIS 28 CE1 -0.0654 0.0443 0.0193 398 HIS 28 HE1 -0.0699 0.0552 0.0270 399 HIS 28 C -0.0376 -0.0164 0.0406 400 HIS 28 O -0.0345 -0.0224 0.0533 401 ASP 29 N -0.0281 -0.0029 0.0113 402 ASP 29 HN -0.0282 -0.0043 0.0139 403 ASP 29 CA -0.0290 -0.0039 0.0103 404 ASP 29 HA -0.0304 -0.0046 0.0071 405 ASP 29 CB -0.0303 -0.0073 0.0133 406 ASP 29 HB1 -0.0311 -0.0081 0.0126 407 ASP 29 HB2 -0.0290 -0.0067 0.0166 408 ASP 29 CG -0.0326 -0.0105 0.0130 409 ASP 29 OD1 -0.0334 -0.0132 0.0159 410 ASP 29 OD2 -0.0335 -0.0105 0.0097 411 ASP 29 C -0.0270 -0.0007 0.0101 412 ASP 29 O -0.0248 0.0014 0.0127 413 HIS 30 N -0.0118 0.0135 0.0030 414 HIS 30 HN -0.0003 0.0063 0.0000 415 HIS 30 CA -0.0176 0.0271 -0.0063 416 HIS 30 HA -0.0300 0.0316 0.0004 417 HIS 30 CB -0.0088 0.0253 -0.0126 418 HIS 30 HB1 -0.0139 0.0358 -0.0191 419 HIS 30 HB2 0.0039 0.0215 -0.0202 420 HIS 30 CD2 0.0023 0.0012 0.0031 421 HIS 30 HD2 0.0148 -0.0043 -0.0025 422 HIS 30 CG -0.0095 0.0143 -0.0001 423 HIS 30 NE2 -0.0049 -0.0043 0.0157 424 HIS 30 HE2 0.0004 -0.0140 0.0212 425 HIS 30 ND1 -0.0237 0.0172 0.0100 426 HIS 30 HD1 -0.0342 0.0262 0.0101 427 HIS 30 CE1 -0.0205 0.0058 0.0193 428 HIS 30 HE1 -0.0292 0.0043 0.0290 429 HIS 30 C -0.0157 0.0381 -0.0199 430 HIS 30 O -0.0041 0.0346 -0.0268 431 HIS 31 N 0.0037 0.0146 0.0072 432 HIS 31 HN 0.0023 0.0133 0.0077 433 HIS 31 CA 0.0036 0.0156 0.0046 434 HIS 31 HA 0.0046 0.0168 0.0039 435 HIS 31 CB 0.0013 0.0145 0.0030 436 HIS 31 HB1 0.0010 0.0151 0.0011 437 HIS 31 HB2 0.0001 0.0131 0.0039 438 HIS 31 CD2 -0.0001 0.0129 0.0041 439 HIS 31 HD2 -0.0004 0.0118 0.0059 440 HIS 31 CG 0.0007 0.0142 0.0026 441 HIS 31 NE2 -0.0005 0.0132 0.0027 442 HIS 31 HE2 -0.0010 0.0125 0.0033 443 HIS 31 ND1 0.0008 0.0153 0.0004 444 HIS 31 HD1 0.0014 0.0163 -0.0010 445 HIS 31 CE1 0.0001 0.0146 0.0006 446 HIS 31 HE1 0.0000 0.0152 -0.0009 447 HIS 31 C 0.0041 0.0162 0.0043 448 HIS 31 O 0.0039 0.0154 0.0058 449 THR 32 N 0.0124 0.0201 -0.0028 450 THR 32 HN 0.0136 0.0199 -0.0027 451 THR 32 CA 0.0114 0.0183 -0.0027 452 THR 32 HA 0.0099 0.0186 -0.0027 453 THR 32 CB 0.0118 0.0166 -0.0025 454 THR 32 HB 0.0134 0.0162 -0.0024 455 THR 32 OG1 0.0112 0.0172 -0.0026 456 THR 32 HG1 0.0114 0.0186 -0.0027 457 THR 32 CG2 0.0106 0.0147 -0.0024 458 THR 32 HG21 0.0109 0.0136 -0.0023 459 THR 32 HG22 0.0111 0.0141 -0.0023 460 THR 32 HG23 0.0090 0.0151 -0.0025 461 THR 32 C 0.0120 0.0176 -0.0026 462 THR 32 O 0.0137 0.0174 -0.0025 463 HIS 33 N 0.0159 0.0189 0.0025 464 HIS 33 HN 0.0156 0.0193 0.0034 465 HIS 33 CA 0.0134 0.0175 0.0012 466 HIS 33 HA 0.0139 0.0173 0.0007 467 HIS 33 CB 0.0103 0.0177 0.0032 468 HIS 33 HB1 0.0084 0.0165 0.0021 469 HIS 33 HB2 0.0097 0.0178 0.0037 470 HIS 33 CD2 0.0125 0.0203 0.0068 471 HIS 33 HD2 0.0148 0.0204 0.0058 472 HIS 33 CG 0.0103 0.0192 0.0058 473 HIS 33 NE2 0.0113 0.0214 0.0094 474 HIS 33 HE2 0.0123 0.0225 0.0108 475 HIS 33 ND1 0.0077 0.0196 0.0078 476 HIS 33 HD1 0.0058 0.0189 0.0077 477 HIS 33 CE1 0.0084 0.0209 0.0100 478 HIS 33 HE1 0.0069 0.0216 0.0120 479 HIS 33 C 0.0133 0.0159 -0.0014 480 HIS 33 O 0.0131 0.0158 -0.0015 481 PHE 34 N 0.0101 0.0090 -0.0043 482 PHE 34 HN 0.0125 0.0097 -0.0043 483 PHE 34 CA 0.0095 0.0052 -0.0045 484 PHE 34 HA 0.0076 0.0047 -0.0045 485 PHE 34 CB 0.0130 0.0031 -0.0046 486 PHE 34 HB1 0.0125 0.0001 -0.0047 487 PHE 34 HB2 0.0151 0.0037 -0.0046 488 PHE 34 CG 0.0143 0.0039 -0.0045 489 PHE 34 CD1 0.0125 0.0026 -0.0046 490 PHE 34 HD1 0.0101 0.0011 -0.0047 491 PHE 34 CE1 0.0139 0.0033 -0.0046 492 PHE 34 HE1 0.0125 0.0023 -0.0046 493 PHE 34 CZ 0.0170 0.0053 -0.0045 494 PHE 34 HZ 0.0181 0.0058 -0.0045 495 PHE 34 CD2 0.0175 0.0059 -0.0045 496 PHE 34 HD2 0.0189 0.0069 -0.0044 497 PHE 34 CE2 0.0189 0.0066 -0.0045 498 PHE 34 HE2 0.0213 0.0082 -0.0044 499 PHE 34 C 0.0078 0.0037 -0.0045 500 PHE 34 O 0.0091 0.0042 -0.0045 501 HIS 35 N 0.0032 -0.0036 -0.0074 502 HIS 35 HN 0.0036 -0.0041 -0.0077 503 HIS 35 CA -0.0026 -0.0061 -0.0086 504 HIS 35 HA -0.0028 -0.0049 -0.0080 505 HIS 35 CB -0.0087 -0.0038 -0.0072 506 HIS 35 HB1 -0.0132 -0.0062 -0.0084 507 HIS 35 HB2 -0.0083 -0.0044 -0.0075 508 HIS 35 CD2 -0.0071 0.0071 -0.0013 509 HIS 35 HD2 -0.0040 0.0073 -0.0013 510 HIS 35 CG -0.0095 0.0024 -0.0038 511 HIS 35 NE2 -0.0093 0.0120 0.0015 512 HIS 35 HE2 -0.0083 0.0161 0.0037 513 HIS 35 ND1 -0.0135 0.0046 -0.0025 514 HIS 35 HD1 -0.0162 0.0022 -0.0037 515 HIS 35 CE1 -0.0131 0.0103 0.0007 516 HIS 35 HE1 -0.0158 0.0132 0.0023 517 HIS 35 C -0.0024 -0.0125 -0.0121 518 HIS 35 O -0.0017 -0.0150 -0.0135 519 VAL 36 N -0.0023 -0.0130 -0.0195 520 VAL 36 HN -0.0018 -0.0125 -0.0196 521 VAL 36 CA -0.0022 -0.0136 -0.0189 522 VAL 36 HA -0.0025 -0.0141 -0.0186 523 VAL 36 CB -0.0013 -0.0134 -0.0183 524 VAL 36 HB -0.0010 -0.0128 -0.0185 525 VAL 36 CG1 -0.0012 -0.0140 -0.0176 526 VAL 36 HG11 -0.0014 -0.0139 -0.0178 527 VAL 36 HG12 -0.0016 -0.0146 -0.0174 528 VAL 36 HG13 -0.0006 -0.0139 -0.0172 529 VAL 36 CG2 -0.0010 -0.0134 -0.0179 530 VAL 36 HG21 -0.0013 -0.0140 -0.0177 531 VAL 36 HG22 -0.0010 -0.0130 -0.0183 532 VAL 36 HG23 -0.0003 -0.0133 -0.0175 533 VAL 36 C -0.0025 -0.0136 -0.0192 534 VAL 36 O -0.0023 -0.0130 -0.0196 535 GLU 37 N -0.0040 -0.0146 -0.0245 536 GLU 37 HN -0.0054 -0.0151 -0.0238 537 GLU 37 CA -0.0037 -0.0146 -0.0242 538 GLU 37 HA -0.0022 -0.0140 -0.0252 539 GLU 37 CB -0.0059 -0.0150 -0.0252 540 GLU 37 HB1 -0.0074 -0.0156 -0.0242 541 GLU 37 HB2 -0.0062 -0.0148 -0.0270 542 GLU 37 CG -0.0056 -0.0149 -0.0254 543 GLU 37 HG1 -0.0040 -0.0143 -0.0263 544 GLU 37 HG2 -0.0054 -0.0152 -0.0236 545 GLU 37 CD -0.0076 -0.0152 -0.0267 546 GLU 37 OE1 -0.0095 -0.0159 -0.0258 547 GLU 37 OE2 -0.0074 -0.0148 -0.0289 548 GLU 37 C -0.0032 -0.0149 -0.0217 549 GLU 37 O -0.0044 -0.0154 -0.0201 550 ASN 38 N 0.0124 -0.0056 -0.0376 551 ASN 38 HN 0.0209 -0.0003 -0.0512 552 ASN 38 CA 0.0168 -0.0019 -0.0172 553 ASN 38 HA 0.0115 -0.0050 -0.0025 554 ASN 38 CB 0.0387 0.0133 -0.0132 555 ASN 38 HB1 0.0437 0.0170 -0.0072 556 ASN 38 HB2 0.0417 0.0159 0.0004 557 ASN 38 CG 0.0497 0.0201 -0.0350 558 ASN 38 OD1 0.0479 0.0186 -0.0438 559 ASN 38 ND2 0.0622 0.0283 -0.0440 560 ASN 38 HD21 0.0696 0.0329 -0.0579 561 ASN 38 HD22 0.0642 0.0300 -0.0363 562 ASN 38 C 0.0067 -0.0088 -0.0155 563 ASN 38 O 0.0027 -0.0121 -0.0326 564 HIS 39 N 0.0061 -0.0057 -0.0117 565 HIS 39 HN 0.0069 -0.0052 -0.0091 566 HIS 39 CA 0.0025 -0.0065 -0.0087 567 HIS 39 HA 0.0039 -0.0062 -0.0102 568 HIS 39 CB -0.0040 -0.0088 -0.0100 569 HIS 39 HB1 -0.0067 -0.0094 -0.0069 570 HIS 39 HB2 -0.0052 -0.0091 -0.0095 571 HIS 39 CD2 -0.0061 -0.0107 -0.0214 572 HIS 39 HD2 -0.0052 -0.0106 -0.0223 573 HIS 39 CG -0.0055 -0.0100 -0.0163 574 HIS 39 NE2 -0.0077 -0.0117 -0.0257 575 HIS 39 HE2 -0.0079 -0.0123 -0.0302 576 HIS 39 ND1 -0.0069 -0.0105 -0.0172 577 HIS 39 HD1 -0.0069 -0.0102 -0.0142 578 HIS 39 CE1 -0.0081 -0.0115 -0.0229 579 HIS 39 HE1 -0.0093 -0.0122 -0.0252 580 HIS 39 C 0.0033 -0.0055 -0.0019 581 HIS 39 O -0.0006 -0.0064 0.0018 582 GLY 40 N 0.0351 -0.0022 0.0177 583 GLY 40 HN 0.0423 -0.0114 0.0133 584 GLY 40 CA 0.0338 0.0064 0.0254 585 GLY 40 HA1 0.0300 0.0163 0.0328 586 GLY 40 HA2 0.0448 0.0030 0.0294 587 GLY 40 C 0.0227 0.0057 0.0172 588 GLY 40 O 0.0222 -0.0047 0.0065 589 GLY 41 N -0.0112 0.0498 -0.0333 590 GLY 41 HN 0.0007 0.0586 -0.0444 591 GLY 41 CA -0.0314 0.0520 -0.0303 592 GLY 41 HA1 -0.0306 0.0643 -0.0417 593 GLY 41 HA2 -0.0479 0.0530 -0.0270 594 GLY 41 C -0.0322 0.0366 -0.0158 595 GLY 41 O -0.0513 0.0350 -0.0096 596 LYS 42 N -0.0092 0.0011 -0.0015 597 LYS 42 HN -0.0069 0.0011 -0.0035 598 LYS 42 CA -0.0105 -0.0029 0.0001 599 LYS 42 HA -0.0129 -0.0027 0.0022 600 LYS 42 CB -0.0106 -0.0044 0.0005 601 LYS 42 HB1 -0.0108 -0.0078 0.0012 602 LYS 42 HB2 -0.0084 -0.0039 -0.0015 603 LYS 42 CG -0.0135 -0.0024 0.0027 604 LYS 42 HG1 -0.0134 0.0010 0.0021 605 LYS 42 HG2 -0.0156 -0.0029 0.0046 606 LYS 42 CD -0.0140 -0.0042 0.0034 607 LYS 42 HD1 -0.0164 -0.0031 0.0053 608 LYS 42 HD2 -0.0140 -0.0076 0.0039 609 LYS 42 CE -0.0116 -0.0033 0.0011 610 LYS 42 HE1 -0.0121 -0.0049 0.0018 611 LYS 42 HE2 -0.0091 -0.0044 -0.0008 612 LYS 42 NZ -0.0117 0.0012 0.0006 613 LYS 42 HZ1 -0.0102 0.0017 -0.0008 614 LYS 42 HZ2 -0.0140 0.0023 0.0024 615 LYS 42 HZ3 -0.0110 0.0027 -0.0003 616 LYS 42 C -0.0085 -0.0059 -0.0011 617 LYS 42 O -0.0057 -0.0057 -0.0036 618 VAL 43 N -0.0087 -0.0082 -0.0043 619 VAL 43 HN -0.0100 -0.0084 -0.0028 620 VAL 43 CA -0.0079 -0.0096 -0.0076 621 VAL 43 HA -0.0060 -0.0087 -0.0088 622 VAL 43 CB -0.0076 -0.0097 -0.0082 623 VAL 43 HB -0.0067 -0.0106 -0.0108 624 VAL 43 CG1 -0.0054 -0.0070 -0.0069 625 VAL 43 HG11 -0.0049 -0.0070 -0.0076 626 VAL 43 HG12 -0.0035 -0.0059 -0.0078 627 VAL 43 HG13 -0.0062 -0.0061 -0.0044 628 VAL 43 CG2 -0.0103 -0.0113 -0.0069 629 VAL 43 HG21 -0.0099 -0.0112 -0.0074 630 VAL 43 HG22 -0.0113 -0.0105 -0.0044 631 VAL 43 HG23 -0.0118 -0.0133 -0.0080 632 VAL 43 C -0.0100 -0.0123 -0.0088 633 VAL 43 O -0.0123 -0.0132 -0.0071 634 ALA 44 N -0.0083 -0.0149 -0.0123 635 ALA 44 HN -0.0074 -0.0145 -0.0131 636 ALA 44 CA -0.0094 -0.0161 -0.0131 637 ALA 44 HA -0.0103 -0.0165 -0.0122 638 ALA 44 CB -0.0092 -0.0163 -0.0141 639 ALA 44 HB1 -0.0091 -0.0160 -0.0133 640 ALA 44 HB2 -0.0083 -0.0160 -0.0150 641 ALA 44 HB3 -0.0100 -0.0172 -0.0146 642 ALA 44 C -0.0094 -0.0165 -0.0141 643 ALA 44 O -0.0084 -0.0159 -0.0148 644 LEU 45 N -0.0044 -0.0157 -0.0093 645 LEU 45 HN -0.0044 -0.0162 -0.0092 646 LEU 45 CA -0.0042 -0.0153 -0.0092 647 LEU 45 HA -0.0041 -0.0147 -0.0092 648 LEU 45 CB -0.0038 -0.0155 -0.0086 649 LEU 45 HB1 -0.0037 -0.0152 -0.0085 650 LEU 45 HB2 -0.0039 -0.0160 -0.0086 651 LEU 45 CG -0.0034 -0.0155 -0.0081 652 LEU 45 HG -0.0035 -0.0158 -0.0081 653 LEU 45 CD1 -0.0031 -0.0158 -0.0075 654 LEU 45 HD11 -0.0028 -0.0158 -0.0072 655 LEU 45 HD12 -0.0032 -0.0163 -0.0076 656 LEU 45 HD13 -0.0029 -0.0155 -0.0075 657 LEU 45 CD2 -0.0032 -0.0147 -0.0081 658 LEU 45 HD21 -0.0032 -0.0144 -0.0082 659 LEU 45 HD22 -0.0034 -0.0146 -0.0083 660 LEU 45 HD23 -0.0029 -0.0146 -0.0076 661 LEU 45 C -0.0046 -0.0153 -0.0096 662 LEU 45 O -0.0047 -0.0159 -0.0097 663 LYS 46 N -0.0018 -0.0122 -0.0085 664 LYS 46 HN -0.0026 -0.0116 -0.0082 665 LYS 46 CA -0.0029 -0.0103 -0.0076 666 LYS 46 HA -0.0014 -0.0110 -0.0078 667 LYS 46 CB -0.0066 -0.0106 -0.0081 668 LYS 46 HB1 -0.0071 -0.0131 -0.0094 669 LYS 46 HB2 -0.0071 -0.0096 -0.0076 670 LYS 46 CG -0.0092 -0.0092 -0.0076 671 LYS 46 HG1 -0.0090 -0.0067 -0.0063 672 LYS 46 HG2 -0.0087 -0.0101 -0.0080 673 LYS 46 CD -0.0128 -0.0100 -0.0083 674 LYS 46 HD1 -0.0130 -0.0125 -0.0096 675 LYS 46 HD2 -0.0131 -0.0095 -0.0081 676 LYS 46 CE -0.0156 -0.0084 -0.0077 677 LYS 46 HE1 -0.0157 -0.0059 -0.0065 678 LYS 46 HE2 -0.0154 -0.0088 -0.0079 679 LYS 46 NZ -0.0189 -0.0096 -0.0086 680 LYS 46 HZ1 -0.0192 -0.0116 -0.0097 681 LYS 46 HZ2 -0.0209 -0.0082 -0.0081 682 LYS 46 HZ3 -0.0188 -0.0101 -0.0089 683 LYS 46 C -0.0021 -0.0071 -0.0059 684 LYS 46 O -0.0018 -0.0061 -0.0053 685 THR 47 N -0.0002 -0.0019 -0.0021 686 THR 47 HN -0.0010 -0.0028 -0.0023 687 THR 47 CA 0.0007 0.0032 -0.0007 688 THR 47 HA 0.0037 0.0036 -0.0009 689 THR 47 CB 0.0022 0.0059 -0.0001 690 THR 47 HB 0.0035 0.0096 0.0008 691 THR 47 OG1 -0.0016 0.0062 0.0003 692 THR 47 HG1 -0.0000 0.0076 0.0006 693 THR 47 CG2 0.0065 0.0034 -0.0012 694 THR 47 HG21 0.0053 -0.0001 -0.0021 695 THR 47 HG22 0.0079 0.0055 -0.0007 696 THR 47 HG23 0.0096 0.0030 -0.0016 697 THR 47 C -0.0037 0.0056 0.0003 698 THR 47 O -0.0078 0.0036 0.0001 699 HIS 48 N -0.0030 0.0122 0.0045 700 HIS 48 HN 0.0010 0.0141 0.0038 701 HIS 48 CA -0.0072 0.0158 0.0063 702 HIS 48 HA -0.0090 0.0134 0.0063 703 HIS 48 CB -0.0040 0.0216 0.0066 704 HIS 48 HB1 -0.0006 0.0205 0.0055 705 HIS 48 HB2 -0.0071 0.0244 0.0080 706 HIS 48 CD2 -0.0022 0.0307 0.0079 707 HIS 48 HD2 -0.0056 0.0336 0.0093 708 HIS 48 CG -0.0011 0.0252 0.0065 709 HIS 48 NE2 0.0019 0.0320 0.0071 710 HIS 48 HE2 0.0024 0.0358 0.0077 711 HIS 48 ND1 0.0038 0.0232 0.0049 712 HIS 48 HD1 0.0056 0.0193 0.0036 713 HIS 48 CE1 0.0054 0.0274 0.0052 714 HIS 48 HE1 0.0090 0.0272 0.0043 715 HIS 48 C -0.0121 0.0174 0.0079 716 HIS 48 O -0.0169 0.0183 0.0094 717 CYS 49 N -0.0134 0.0196 0.0121 718 CYS 49 HN -0.0069 0.0193 0.0083 719 CYS 49 CA -0.0181 0.0227 0.0164 720 CYS 49 HA -0.0239 0.0253 0.0210 721 CYS 49 CB -0.0112 0.0306 0.0167 722 CYS 49 HB1 -0.0057 0.0277 0.0121 723 CYS 49 HB2 -0.0081 0.0358 0.0176 724 CYS 49 SG -0.0165 0.0365 0.0227 725 CYS 49 HG1 -0.0217 0.0288 0.0215 726 CYS 49 C -0.0218 0.0146 0.0141 727 CYS 49 O -0.0259 0.0156 0.0170 728 GLY 50 N -0.0106 0.0045 0.0038 729 GLY 50 HN -0.0084 0.0051 0.0039 730 GLY 50 CA -0.0138 -0.0012 0.0008 731 GLY 50 HA1 -0.0187 -0.0008 0.0015 732 GLY 50 HA2 -0.0140 -0.0033 -0.0005 733 GLY 50 C -0.0100 -0.0048 -0.0019 734 GLY 50 O -0.0127 -0.0090 -0.0041 735 LYS 51 N -0.0046 -0.0020 -0.0011 736 LYS 51 HN -0.0043 -0.0010 0.0009 737 LYS 51 CA -0.0028 -0.0046 -0.0019 738 LYS 51 HA -0.0032 -0.0055 -0.0040 739 LYS 51 CB -0.0006 -0.0057 0.0000 740 LYS 51 HB1 0.0007 -0.0077 -0.0007 741 LYS 51 HB2 -0.0000 -0.0049 0.0022 742 LYS 51 CG -0.0009 -0.0053 0.0002 743 LYS 51 HG1 0.0007 -0.0059 0.0019 744 LYS 51 HG2 -0.0023 -0.0033 0.0007 745 LYS 51 CD -0.0012 -0.0068 -0.0026 746 LYS 51 HD1 -0.0027 -0.0063 -0.0043 747 LYS 51 HD2 0.0003 -0.0088 -0.0030 748 LYS 51 CE -0.0016 -0.0063 -0.0024 749 LYS 51 HE1 -0.0003 -0.0065 -0.0004 750 LYS 51 HE2 -0.0033 -0.0045 -0.0025 751 LYS 51 NZ -0.0014 -0.0081 -0.0048 752 LYS 51 HZ1 -0.0018 -0.0077 -0.0048 753 LYS 51 HZ2 0.0002 -0.0099 -0.0046 754 LYS 51 HZ3 -0.0025 -0.0082 -0.0067 755 LYS 51 C -0.0024 -0.0048 -0.0016 756 LYS 51 O -0.0024 -0.0035 0.0004 757 TYR 52 N -0.0037 -0.0121 -0.0030 758 TYR 52 HN -0.0032 -0.0126 -0.0037 759 TYR 52 CA -0.0041 -0.0123 -0.0040 760 TYR 52 HA -0.0051 -0.0117 -0.0034 761 TYR 52 CB -0.0048 -0.0127 -0.0061 762 TYR 52 HB1 -0.0048 -0.0130 -0.0069 763 TYR 52 HB2 -0.0039 -0.0133 -0.0067 764 TYR 52 CG -0.0067 -0.0119 -0.0063 765 TYR 52 CD1 -0.0071 -0.0116 -0.0059 766 TYR 52 HD1 -0.0060 -0.0119 -0.0053 767 TYR 52 CE1 -0.0088 -0.0109 -0.0061 768 TYR 52 HE1 -0.0091 -0.0107 -0.0057 769 TYR 52 CZ -0.0102 -0.0105 -0.0068 770 TYR 52 OH -0.0120 -0.0098 -0.0070 771 TYR 52 HH -0.0128 -0.0097 -0.0076 772 TYR 52 CD2 -0.0081 -0.0116 -0.0071 773 TYR 52 HD2 -0.0078 -0.0118 -0.0074 774 TYR 52 CE2 -0.0098 -0.0109 -0.0073 775 TYR 52 HE2 -0.0109 -0.0106 -0.0078 776 TYR 52 C -0.0024 -0.0130 -0.0040 777 TYR 52 O -0.0010 -0.0137 -0.0042 778 LEU 53 N -0.0012 -0.0121 0.0028 779 LEU 53 HN -0.0003 -0.0116 0.0028 780 LEU 53 CA -0.0004 -0.0129 0.0036 781 LEU 53 HA -0.0010 -0.0126 0.0032 782 LEU 53 CB 0.0017 -0.0124 0.0039 783 LEU 53 HB1 0.0022 -0.0132 0.0046 784 LEU 53 HB2 0.0024 -0.0124 0.0041 785 LEU 53 CG 0.0022 -0.0107 0.0030 786 LEU 53 HG 0.0014 -0.0106 0.0026 787 LEU 53 CD1 0.0020 -0.0093 0.0020 788 LEU 53 HD11 0.0024 -0.0081 0.0014 789 LEU 53 HD12 0.0005 -0.0093 0.0016 790 LEU 53 HD13 0.0028 -0.0093 0.0022 791 LEU 53 CD2 0.0042 -0.0104 0.0034 792 LEU 53 HD21 0.0044 -0.0114 0.0041 793 LEU 53 HD22 0.0046 -0.0092 0.0028 794 LEU 53 HD23 0.0051 -0.0105 0.0037 795 LEU 53 C -0.0009 -0.0147 0.0046 796 LEU 53 O -0.0008 -0.0154 0.0051 797 SER 54 N -0.0049 -0.0089 0.0096 798 SER 54 HN -0.0048 -0.0094 0.0100 799 SER 54 CA -0.0047 -0.0085 0.0090 800 SER 54 HA -0.0050 -0.0080 0.0087 801 SER 54 CB -0.0038 -0.0088 0.0085 802 SER 54 HB1 -0.0034 -0.0094 0.0088 803 SER 54 HB2 -0.0037 -0.0087 0.0083 804 SER 54 OG -0.0035 -0.0084 0.0079 805 SER 54 HG1 -0.0037 -0.0080 0.0075 806 SER 54 C -0.0048 -0.0087 0.0093 807 SER 54 O -0.0048 -0.0093 0.0099 808 ILE 55 N -0.0058 -0.0044 0.0161 809 ILE 55 HN -0.0064 -0.0049 0.0155 810 ILE 55 CA -0.0045 -0.0042 0.0153 811 ILE 55 HA -0.0041 -0.0037 0.0161 812 ILE 55 CB -0.0048 -0.0047 0.0140 813 ILE 55 HB -0.0050 -0.0051 0.0131 814 ILE 55 CG2 -0.0061 -0.0051 0.0144 815 ILE 55 HG21 -0.0059 -0.0047 0.0154 816 ILE 55 HG22 -0.0071 -0.0054 0.0147 817 ILE 55 HG23 -0.0063 -0.0055 0.0135 818 ILE 55 CG1 -0.0035 -0.0044 0.0134 819 ILE 55 HG11 -0.0026 -0.0043 0.0128 820 ILE 55 HG12 -0.0038 -0.0048 0.0126 821 ILE 55 CD -0.0027 -0.0038 0.0145 822 ILE 55 HD1 -0.0022 -0.0033 0.0152 823 ILE 55 HD2 -0.0035 -0.0038 0.0152 824 ILE 55 HD3 -0.0019 -0.0036 0.0140 825 ILE 55 C -0.0034 -0.0038 0.0150 826 ILE 55 O -0.0022 -0.0036 0.0143 827 GLY 56 N -0.0047 -0.0043 0.0137 828 GLY 56 HN -0.0045 -0.0052 0.0142 829 GLY 56 CA -0.0032 -0.0031 0.0141 830 GLY 56 HA1 -0.0029 -0.0037 0.0146 831 GLY 56 HA2 -0.0023 -0.0030 0.0147 832 GLY 56 C -0.0032 -0.0013 0.0132 833 GLY 56 O -0.0039 -0.0004 0.0123 834 ASP 57 N -0.0055 0.0087 0.0126 835 ASP 57 HN -0.0068 0.0097 0.0106 836 ASP 57 CA -0.0062 0.0049 0.0146 837 ASP 57 HA -0.0058 0.0037 0.0160 838 ASP 57 CB -0.0097 0.0029 0.0125 839 ASP 57 HB1 -0.0104 0.0000 0.0139 840 ASP 57 HB2 -0.0102 0.0042 0.0111 841 ASP 57 CG -0.0120 0.0030 0.0101 842 ASP 57 OD1 -0.0110 0.0041 0.0104 843 ASP 57 OD2 -0.0148 0.0020 0.0080 844 ASP 57 C -0.0043 0.0044 0.0169 845 ASP 57 O -0.0050 0.0014 0.0184 846 HIS 58 N 0.0019 0.0112 0.0194 847 HIS 58 HN -0.0036 0.0087 0.0216 848 HIS 58 CA 0.0104 0.0164 0.0174 849 HIS 58 HA 0.0155 0.0151 0.0117 850 HIS 58 CB 0.0133 0.0256 0.0246 851 HIS 58 HB1 0.0076 0.0267 0.0307 852 HIS 58 HB2 0.0146 0.0269 0.0248 853 HIS 58 CD2 0.0224 0.0383 0.0301 854 HIS 58 HD2 0.0174 0.0402 0.0364 855 HIS 58 CG 0.0214 0.0319 0.0242 856 HIS 58 NE2 0.0312 0.0423 0.0266 857 HIS 58 HE2 0.0342 0.0475 0.0294 858 HIS 58 ND1 0.0295 0.0318 0.0170 859 HIS 58 HD1 0.0308 0.0278 0.0116 860 HIS 58 CE1 0.0352 0.0381 0.0187 861 HIS 58 HE1 0.0422 0.0399 0.0145 862 HIS 58 C 0.0104 0.0146 0.0156 863 HIS 58 O 0.0036 0.0100 0.0167 864 LYS 59 N 0.0155 0.0193 0.0188 865 LYS 59 HN 0.0158 0.0215 0.0186 866 LYS 59 CA 0.0110 0.0162 0.0164 867 LYS 59 HA 0.0101 0.0171 0.0157 868 LYS 59 CB 0.0072 0.0181 0.0136 869 LYS 59 HB1 0.0039 0.0154 0.0119 870 LYS 59 HB2 0.0082 0.0173 0.0144 871 LYS 59 CG 0.0062 0.0241 0.0118 872 LYS 59 HG1 0.0033 0.0248 0.0098 873 LYS 59 HG2 0.0093 0.0267 0.0134 874 LYS 59 CD 0.0054 0.0259 0.0109 875 LYS 59 HD1 0.0044 0.0302 0.0095 876 LYS 59 HD2 0.0088 0.0261 0.0131 877 LYS 59 CE 0.0018 0.0223 0.0093 878 LYS 59 HE1 0.0014 0.0242 0.0086 879 LYS 59 HE2 0.0029 0.0182 0.0108 880 LYS 59 NZ -0.0028 0.0216 0.0064 881 LYS 59 HZ1 -0.0039 0.0253 0.0050 882 LYS 59 HZ2 -0.0025 0.0194 0.0070 883 LYS 59 HZ3 -0.0052 0.0194 0.0053 884 LYS 59 C 0.0108 0.0100 0.0175 885 LYS 59 O 0.0081 0.0072 0.0163 886 GLN 60 N 0.0057 0.0069 0.0182 887 GLN 60 HN 0.0064 0.0096 0.0195 888 GLN 60 CA 0.0055 0.0045 0.0193 889 GLN 60 HA 0.0048 0.0025 0.0169 890 GLN 60 CB 0.0060 0.0071 0.0201 891 GLN 60 HB1 0.0058 0.0050 0.0206 892 GLN 60 HB2 0.0068 0.0089 0.0229 893 GLN 60 CG 0.0060 0.0101 0.0166 894 GLN 60 HG1 0.0063 0.0113 0.0171 895 GLN 60 HG2 0.0064 0.0128 0.0166 896 GLN 60 CD 0.0051 0.0084 0.0123 897 GLN 60 OE1 0.0049 0.0093 0.0101 898 GLN 60 NE2 0.0045 0.0061 0.0111 899 GLN 60 HE21 0.0046 0.0052 0.0130 900 GLN 60 HE22 0.0039 0.0052 0.0082 901 GLN 60 C 0.0056 0.0020 0.0231 902 GLN 60 O 0.0063 0.0034 0.0258 903 VAL 61 N 0.0033 -0.0036 0.0153 904 VAL 61 HN 0.0038 -0.0036 0.0143 905 VAL 61 CA 0.0032 -0.0046 0.0164 906 VAL 61 HA 0.0032 -0.0053 0.0169 907 VAL 61 CB 0.0039 -0.0057 0.0156 908 VAL 61 HB 0.0040 -0.0050 0.0149 909 VAL 61 CG1 0.0038 -0.0067 0.0167 910 VAL 61 HG11 0.0037 -0.0073 0.0175 911 VAL 61 HG12 0.0044 -0.0075 0.0161 912 VAL 61 HG13 0.0034 -0.0061 0.0172 913 VAL 61 CG2 0.0046 -0.0066 0.0148 914 VAL 61 HG21 0.0052 -0.0074 0.0143 915 VAL 61 HG22 0.0046 -0.0072 0.0155 916 VAL 61 HG23 0.0048 -0.0059 0.0140 917 VAL 61 C 0.0025 -0.0039 0.0174 918 VAL 61 O 0.0023 -0.0029 0.0171 919 TYR 62 N 0.0031 -0.0049 0.0121 920 TYR 62 HN 0.0039 -0.0077 0.0133 921 TYR 62 CA -0.0008 -0.0033 0.0131 922 TYR 62 HA -0.0016 -0.0004 0.0118 923 TYR 62 CB -0.0036 -0.0055 0.0158 924 TYR 62 HB1 -0.0033 -0.0082 0.0172 925 TYR 62 HB2 -0.0029 -0.0061 0.0158 926 TYR 62 CG -0.0076 -0.0032 0.0165 927 TYR 62 CD1 -0.0103 -0.0039 0.0182 928 TYR 62 HD1 -0.0094 -0.0060 0.0190 929 TYR 62 CE1 -0.0140 -0.0017 0.0188 930 TYR 62 HE1 -0.0160 -0.0021 0.0200 931 TYR 62 CZ -0.0151 0.0012 0.0177 932 TYR 62 OH -0.0189 0.0035 0.0182 933 TYR 62 HH -0.0189 0.0059 0.0168 934 TYR 62 CD2 -0.0089 -0.0004 0.0154 935 TYR 62 HD2 -0.0069 0.0001 0.0141 936 TYR 62 CE2 -0.0126 0.0018 0.0160 937 TYR 62 HE2 -0.0135 0.0041 0.0152 938 TYR 62 C -0.0008 -0.0032 0.0130 939 TYR 62 O 0.0014 -0.0055 0.0133 940 LEU 63 N -0.0018 -0.0090 0.0083 941 LEU 63 HN -0.0035 -0.0076 0.0079 942 LEU 63 CA -0.0020 -0.0082 0.0078 943 LEU 63 HA -0.0001 -0.0099 0.0083 944 LEU 63 CB -0.0012 -0.0050 0.0052 945 LEU 63 HB1 -0.0035 -0.0032 0.0048 946 LEU 63 HB2 0.0009 -0.0046 0.0042 947 LEU 63 CG 0.0002 -0.0046 0.0044 948 LEU 63 HG -0.0015 -0.0054 0.0056 949 LEU 63 CD1 0.0041 -0.0063 0.0044 950 LEU 63 HD11 0.0059 -0.0055 0.0032 951 LEU 63 HD12 0.0050 -0.0059 0.0038 952 LEU 63 HD13 0.0042 -0.0088 0.0061 953 LEU 63 CD2 0.0000 -0.0011 0.0021 954 LEU 63 HD21 0.0012 -0.0008 0.0014 955 LEU 63 HD22 0.0014 -0.0001 0.0009 956 LEU 63 HD23 -0.0028 0.0001 0.0022 957 LEU 63 C -0.0056 -0.0085 0.0092 958 LEU 63 O -0.0083 -0.0069 0.0090 959 SER 64 N -0.0044 -0.0087 0.0081 960 SER 64 HN -0.0042 -0.0079 0.0086 961 SER 64 CA -0.0040 -0.0087 0.0074 962 SER 64 HA -0.0043 -0.0095 0.0072 963 SER 64 CB -0.0037 -0.0076 0.0079 964 SER 64 HB1 -0.0034 -0.0068 0.0082 965 SER 64 HB2 -0.0043 -0.0079 0.0087 966 SER 64 OG -0.0033 -0.0075 0.0072 967 SER 64 HG1 -0.0027 -0.0069 0.0067 968 SER 64 C -0.0032 -0.0085 0.0062 969 SER 64 O -0.0029 -0.0079 0.0061 970 HIS 65 N -0.0104 -0.0092 0.0051 971 HIS 65 HN -0.0151 -0.0105 0.0080 972 HIS 65 CA -0.0041 -0.0085 -0.0017 973 HIS 65 HA -0.0004 -0.0080 -0.0056 974 HIS 65 CB -0.0082 -0.0129 -0.0084 975 HIS 65 HB1 -0.0118 -0.0134 -0.0047 976 HIS 65 HB2 -0.0128 -0.0163 -0.0117 977 HIS 65 CD2 0.0009 -0.0114 -0.0170 978 HIS 65 HD2 -0.0013 -0.0111 -0.0132 979 HIS 65 CG -0.0017 -0.0122 -0.0156 980 HIS 65 NE2 0.0072 -0.0108 -0.0244 981 HIS 65 HE2 0.0107 -0.0100 -0.0269 982 HIS 65 ND1 0.0029 -0.0121 -0.0221 983 HIS 65 HD1 0.0022 -0.0127 -0.0228 984 HIS 65 CE1 0.0082 -0.0113 -0.0272 985 HIS 65 HE1 0.0130 -0.0109 -0.0328 986 HIS 65 C 0.0020 -0.0038 0.0029 987 HIS 65 O -0.0005 -0.0034 0.0076 988 HIS 66 N 0.0056 -0.0086 -0.0002 989 HIS 66 HN 0.0044 -0.0167 -0.0024 990 HIS 66 CA 0.0093 -0.0042 0.0025 991 HIS 66 HA 0.0099 -0.0114 0.0013 992 HIS 66 CB 0.0204 -0.0002 0.0086 993 HIS 66 HB1 0.0231 0.0024 0.0104 994 HIS 66 HB2 0.0204 0.0070 0.0101 995 HIS 66 CD2 0.0370 -0.0087 0.0149 996 HIS 66 HD2 0.0401 -0.0013 0.0179 997 HIS 66 CG 0.0283 -0.0094 0.0106 998 HIS 66 NE2 0.0416 -0.0196 0.0149 999 HIS 66 HE2 0.0485 -0.0219 0.0177 1000 HIS 66 ND1 0.0273 -0.0204 0.0078 1001 HIS 66 HD1 0.0217 -0.0234 0.0045 1002 HIS 66 CE1 0.0354 -0.0262 0.0106 1003 HIS 66 HE1 0.0371 -0.0353 0.0095 1004 HIS 66 C 0.0015 0.0044 0.0005 1005 HIS 66 O -0.0068 0.0076 -0.0029 1006 LEU 67 N -0.0003 -0.0069 -0.0032 1007 LEU 67 HN -0.0011 -0.0076 -0.0024 1008 LEU 67 CA -0.0013 -0.0060 -0.0063 1009 LEU 67 HA -0.0018 -0.0062 -0.0064 1010 LEU 67 CB -0.0042 -0.0070 -0.0074 1011 LEU 67 HB1 -0.0038 -0.0069 -0.0073 1012 LEU 67 HB2 -0.0056 -0.0084 -0.0059 1013 LEU 67 CG -0.0057 -0.0064 -0.0105 1014 LEU 67 HG -0.0046 -0.0051 -0.0121 1015 LEU 67 CD1 -0.0057 -0.0061 -0.0112 1016 LEU 67 HD11 -0.0036 -0.0049 -0.0113 1017 LEU 67 HD12 -0.0066 -0.0073 -0.0095 1018 LEU 67 HD13 -0.0071 -0.0058 -0.0133 1019 LEU 67 CD2 -0.0088 -0.0077 -0.0110 1020 LEU 67 HD21 -0.0099 -0.0072 -0.0133 1021 LEU 67 HD22 -0.0100 -0.0090 -0.0095 1022 LEU 67 HD23 -0.0089 -0.0079 -0.0107 1023 LEU 67 C 0.0009 -0.0041 -0.0081 1024 LEU 67 O 0.0017 -0.0034 -0.0087 1025 HIS 68 N 0.0013 -0.0021 -0.0013 1026 HIS 68 HN -0.0011 -0.0046 0.0019 1027 HIS 68 CA 0.0040 0.0005 -0.0045 1028 HIS 68 HA 0.0090 0.0004 -0.0061 1029 HIS 68 CB 0.0042 -0.0023 -0.0021 1030 HIS 68 HB1 -0.0008 -0.0023 -0.0004 1031 HIS 68 HB2 0.0068 -0.0062 0.0006 1032 HIS 68 CD2 0.0059 0.0010 -0.0056 1033 HIS 68 HD2 0.0016 0.0006 -0.0038 1034 HIS 68 CG 0.0076 -0.0001 -0.0052 1035 HIS 68 NE2 0.0108 0.0029 -0.0090 1036 HIS 68 HE2 0.0109 0.0046 -0.0106 1037 HIS 68 ND1 0.0134 0.0011 -0.0083 1038 HIS 68 HD1 0.0158 0.0007 -0.0088 1039 HIS 68 CE1 0.0152 0.0029 -0.0105 1040 HIS 68 HE1 0.0195 0.0043 -0.0133 1041 HIS 68 C 0.0007 0.0060 -0.0083 1042 HIS 68 O -0.0051 0.0075 -0.0077 1043 GLY 69 N 0.0093 0.0065 -0.0155 1044 GLY 69 HN 0.0120 0.0044 -0.0164 1045 GLY 69 CA 0.0081 0.0116 -0.0169 1046 GLY 69 HA1 0.0109 0.0124 -0.0191 1047 GLY 69 HA2 0.0072 0.0137 -0.0172 1048 GLY 69 C 0.0043 0.0128 -0.0148 1049 GLY 69 O 0.0014 0.0165 -0.0144 1050 ASP 70 N 0.0087 0.0142 -0.0113 1051 ASP 70 HN 0.0142 0.0105 -0.0106 1052 ASP 70 CA 0.0024 0.0161 -0.0107 1053 ASP 70 HA -0.0000 0.0224 -0.0140 1054 ASP 70 CB 0.0068 0.0145 -0.0110 1055 ASP 70 HB1 0.0024 0.0170 -0.0113 1056 ASP 70 HB2 0.0087 0.0081 -0.0075 1057 ASP 70 CG 0.0152 0.0185 -0.0158 1058 ASP 70 OD1 0.0141 0.0259 -0.0201 1059 ASP 70 OD2 0.0227 0.0141 -0.0152 1060 ASP 70 C -0.0056 0.0117 -0.0057 1061 ASP 70 O -0.0051 0.0052 -0.0018 1062 HIS 71 N 0.0011 0.0103 0.0003 1063 HIS 71 HN 0.0010 0.0140 -0.0009 1064 HIS 71 CA -0.0041 0.0079 0.0011 1065 HIS 71 HA -0.0066 0.0105 0.0002 1066 HIS 71 CB -0.0065 0.0076 0.0012 1067 HIS 71 HB1 -0.0107 0.0062 0.0017 1068 HIS 71 HB2 -0.0041 0.0051 0.0021 1069 HIS 71 CD2 -0.0042 0.0146 -0.0012 1070 HIS 71 HD2 -0.0015 0.0127 -0.0005 1071 HIS 71 CG -0.0067 0.0128 -0.0006 1072 HIS 71 NE2 -0.0057 0.0196 -0.0029 1073 HIS 71 HE2 -0.0043 0.0220 -0.0037 1074 HIS 71 ND1 -0.0097 0.0166 -0.0019 1075 HIS 71 HD1 -0.0120 0.0163 -0.0018 1076 HIS 71 CE1 -0.0090 0.0206 -0.0032 1077 HIS 71 HE1 -0.0108 0.0243 -0.0045 1078 HIS 71 C -0.0047 0.0028 0.0029 1079 HIS 71 O -0.0061 -0.0010 0.0042 1080 SER 72 N -0.0101 -0.0008 -0.0025 1081 SER 72 HN -0.0092 0.0005 -0.0024 1082 SER 72 CA -0.0099 -0.0038 -0.0019 1083 SER 72 HA -0.0113 -0.0051 -0.0022 1084 SER 72 CB -0.0070 -0.0048 -0.0007 1085 SER 72 HB1 -0.0070 -0.0071 -0.0003 1086 SER 72 HB2 -0.0055 -0.0038 -0.0003 1087 SER 72 OG -0.0061 -0.0041 -0.0005 1088 SER 72 HG1 -0.0055 -0.0021 -0.0006 1089 SER 72 C -0.0106 -0.0047 -0.0020 1090 SER 72 O -0.0102 -0.0071 -0.0015 1091 LEU 73 N -0.0108 -0.0095 -0.0037 1092 LEU 73 HN -0.0108 -0.0095 -0.0037 1093 LEU 73 CA -0.0116 -0.0076 -0.0034 1094 LEU 73 HA -0.0115 -0.0077 -0.0036 1095 LEU 73 CB -0.0114 -0.0058 -0.0046 1096 LEU 73 HB1 -0.0119 -0.0045 -0.0044 1097 LEU 73 HB2 -0.0118 -0.0055 -0.0042 1098 LEU 73 CG -0.0100 -0.0059 -0.0065 1099 LEU 73 HG -0.0094 -0.0071 -0.0066 1100 LEU 73 CD1 -0.0099 -0.0039 -0.0074 1101 LEU 73 HD11 -0.0089 -0.0040 -0.0088 1102 LEU 73 HD12 -0.0103 -0.0037 -0.0069 1103 LEU 73 HD13 -0.0104 -0.0027 -0.0073 1104 LEU 73 CD2 -0.0093 -0.0062 -0.0072 1105 LEU 73 HD21 -0.0093 -0.0076 -0.0066 1106 LEU 73 HD22 -0.0083 -0.0063 -0.0086 1107 LEU 73 HD23 -0.0098 -0.0050 -0.0071 1108 LEU 73 C -0.0130 -0.0074 -0.0016 1109 LEU 73 O -0.0134 -0.0077 -0.0010 1110 PHE 74 N -0.0116 -0.0115 -0.0014 1111 PHE 74 HN -0.0119 -0.0114 -0.0012 1112 PHE 74 CA -0.0121 -0.0115 -0.0005 1113 PHE 74 HA -0.0116 -0.0117 -0.0007 1114 PHE 74 CB -0.0120 -0.0120 0.0009 1115 PHE 74 HB1 -0.0124 -0.0120 0.0016 1116 PHE 74 HB2 -0.0123 -0.0119 0.0011 1117 PHE 74 CG -0.0107 -0.0127 0.0011 1118 PHE 74 CD1 -0.0100 -0.0130 0.0009 1119 PHE 74 HD1 -0.0104 -0.0127 0.0006 1120 PHE 74 CE1 -0.0089 -0.0137 0.0011 1121 PHE 74 HE1 -0.0084 -0.0139 0.0010 1122 PHE 74 CZ -0.0084 -0.0141 0.0016 1123 PHE 74 HZ -0.0075 -0.0146 0.0018 1124 PHE 74 CD2 -0.0102 -0.0131 0.0015 1125 PHE 74 HD2 -0.0108 -0.0129 0.0017 1126 PHE 74 CE2 -0.0091 -0.0138 0.0018 1127 PHE 74 HE2 -0.0087 -0.0141 0.0021 1128 PHE 74 C -0.0134 -0.0108 -0.0005 1129 PHE 74 O -0.0140 -0.0104 -0.0010 1130 HIS 75 N -0.0113 -0.0087 0.0005 1131 HIS 75 HN -0.0131 -0.0096 0.0009 1132 HIS 75 CA -0.0086 -0.0074 0.0019 1133 HIS 75 HA -0.0067 -0.0065 0.0010 1134 HIS 75 CB -0.0087 -0.0074 0.0057 1135 HIS 75 HB1 -0.0107 -0.0083 0.0065 1136 HIS 75 HB2 -0.0091 -0.0075 0.0064 1137 HIS 75 CD2 -0.0035 -0.0048 0.0066 1138 HIS 75 HD2 -0.0025 -0.0045 0.0042 1139 HIS 75 CG -0.0061 -0.0061 0.0075 1140 HIS 75 NE2 -0.0020 -0.0041 0.0094 1141 HIS 75 HE2 -0.0000 -0.0031 0.0096 1142 HIS 75 ND1 -0.0063 -0.0061 0.0109 1143 HIS 75 HD1 -0.0080 -0.0069 0.0123 1144 HIS 75 CE1 -0.0038 -0.0049 0.0119 1145 HIS 75 HE1 -0.0032 -0.0045 0.0145 1146 HIS 75 C -0.0081 -0.0072 0.0007 1147 HIS 75 O -0.0101 -0.0081 0.0011 1148 LEU 76 N -0.0029 -0.0084 -0.0025 1149 LEU 76 HN -0.0016 -0.0074 -0.0032 1150 LEU 76 CA -0.0018 -0.0075 -0.0033 1151 LEU 76 HA -0.0036 -0.0088 -0.0036 1152 LEU 76 CB -0.0000 -0.0059 -0.0068 1153 LEU 76 HB1 0.0006 -0.0054 -0.0076 1154 LEU 76 HB2 0.0020 -0.0045 -0.0063 1155 LEU 76 CG -0.0017 -0.0068 -0.0101 1156 LEU 76 HG -0.0024 -0.0074 -0.0094 1157 LEU 76 CD1 0.0004 -0.0050 -0.0133 1158 LEU 76 HD11 0.0013 -0.0043 -0.0140 1159 LEU 76 HD12 -0.0008 -0.0056 -0.0157 1160 LEU 76 HD13 0.0023 -0.0037 -0.0124 1161 LEU 76 CD2 -0.0044 -0.0086 -0.0114 1162 LEU 76 HD21 -0.0060 -0.0100 -0.0092 1163 LEU 76 HD22 -0.0056 -0.0092 -0.0138 1164 LEU 76 HD23 -0.0037 -0.0081 -0.0122 1165 LEU 76 C 0.0003 -0.0063 -0.0002 1166 LEU 76 O 0.0026 -0.0047 0.0006 1167 GLU 77 N 0.0023 0.0017 -0.0067 1168 GLU 77 HN 0.0011 -0.0012 -0.0066 1169 GLU 77 CA 0.0032 0.0041 -0.0022 1170 GLU 77 HA 0.0043 0.0068 -0.0025 1171 GLU 77 CB 0.0019 0.0012 0.0020 1172 GLU 77 HB1 0.0027 0.0033 0.0053 1173 GLU 77 HB2 0.0008 -0.0016 0.0024 1174 GLU 77 CG 0.0012 -0.0005 0.0012 1175 GLU 77 HG1 0.0001 -0.0034 -0.0012 1176 GLU 77 HG2 0.0023 0.0020 -0.0006 1177 GLU 77 CD 0.0006 -0.0017 0.0057 1178 GLU 77 OE1 -0.0007 -0.0050 0.0080 1179 GLU 77 OE2 0.0015 0.0003 0.0068 1180 GLU 77 C 0.0040 0.0060 -0.0014 1181 GLU 77 O 0.0030 0.0036 -0.0008 1182 HIS 78 N 0.0113 0.0235 0.0086 1183 HIS 78 HN 0.0151 0.0291 0.0098 1184 HIS 78 CA 0.0118 0.0203 0.0058 1185 HIS 78 HA 0.0086 0.0137 0.0033 1186 HIS 78 CB 0.0206 0.0224 0.0005 1187 HIS 78 HB1 0.0210 0.0217 -0.0004 1188 HIS 78 HB2 0.0243 0.0289 0.0025 1189 HIS 78 CD2 0.0295 0.0181 -0.0098 1190 HIS 78 HD2 0.0320 0.0233 -0.0078 1191 HIS 78 CG 0.0243 0.0169 -0.0066 1192 HIS 78 NE2 0.0317 0.0113 -0.0166 1193 HIS 78 HE2 0.0354 0.0105 -0.0201 1194 HIS 78 ND1 0.0233 0.0093 -0.0116 1195 HIS 78 HD1 0.0199 0.0066 -0.0109 1196 HIS 78 CE1 0.0278 0.0062 -0.0175 1197 HIS 78 HE1 0.0281 0.0002 -0.0222 1198 HIS 78 C 0.0078 0.0239 0.0117 1199 HIS 78 O 0.0095 0.0313 0.0160 1200 HIS 79 N 0.0033 0.0171 -0.0174 1201 HIS 79 HN 0.0029 -0.0034 -0.0236 1202 HIS 79 CA -0.0138 0.0252 -0.0049 1203 HIS 79 HA -0.0065 0.0452 -0.0029 1204 HIS 79 CB -0.0407 0.0256 0.0109 1205 HIS 79 HB1 -0.0539 0.0284 0.0194 1206 HIS 79 HB2 -0.0473 0.0058 0.0085 1207 HIS 79 CD2 -0.0507 0.0472 0.0234 1208 HIS 79 HD2 -0.0550 0.0295 0.0203 1209 HIS 79 CG -0.0431 0.0484 0.0193 1210 HIS 79 NE2 -0.0532 0.0739 0.0332 1211 HIS 79 HE2 -0.0585 0.0803 0.0383 1212 HIS 79 ND1 -0.0412 0.0751 0.0266 1213 HIS 79 HD1 -0.0365 0.0819 0.0259 1214 HIS 79 CE1 -0.0473 0.0898 0.0347 1215 HIS 79 HE1 -0.0474 0.1121 0.0417 1216 HIS 79 C -0.0174 0.0042 -0.0094 1217 HIS 79 O -0.0266 -0.0199 -0.0116 1218 GLY 80 N -0.0408 -0.0464 -0.0239 1219 GLY 80 HN -0.0416 -0.0516 -0.0235 1220 GLY 80 CA -0.0438 -0.0646 -0.0231 1221 GLY 80 HA1 -0.0504 -0.0621 -0.0374 1222 GLY 80 HA2 -0.0461 -0.0814 -0.0214 1223 GLY 80 C -0.0342 -0.0641 -0.0038 1224 GLY 80 O -0.0253 -0.0641 0.0144 1225 GLY 81 N -0.0168 0.0078 -0.0026 1226 GLY 81 HN -0.0168 0.0078 -0.0007 1227 GLY 81 CA -0.0122 0.0072 0.0030 1228 GLY 81 HA1 -0.0122 0.0070 0.0097 1229 GLY 81 HA2 -0.0154 0.0075 0.0027 1230 GLY 81 C -0.0027 0.0065 0.0006 1231 GLY 81 O 0.0016 0.0060 0.0038 1232 LYS 82 N -0.0059 0.0057 0.0024 1233 LYS 82 HN -0.0064 0.0046 0.0007 1234 LYS 82 CA -0.0018 0.0045 0.0009 1235 LYS 82 HA -0.0003 0.0063 0.0037 1236 LYS 82 CB 0.0029 0.0030 -0.0009 1237 LYS 82 HB1 0.0060 0.0020 -0.0021 1238 LYS 82 HB2 0.0013 0.0012 -0.0037 1239 LYS 82 CG 0.0054 0.0052 0.0026 1240 LYS 82 HG1 0.0022 0.0064 0.0041 1241 LYS 82 HG2 0.0072 0.0070 0.0053 1242 LYS 82 CD 0.0095 0.0038 0.0008 1243 LYS 82 HD1 0.0129 0.0028 -0.0005 1244 LYS 82 HD2 0.0076 0.0019 -0.0021 1245 LYS 82 CE 0.0114 0.0059 0.0041 1246 LYS 82 HE1 0.0142 0.0047 0.0024 1247 LYS 82 HE2 0.0080 0.0068 0.0051 1248 LYS 82 NZ 0.0141 0.0084 0.0080 1249 LYS 82 HZ1 0.0172 0.0077 0.0071 1250 LYS 82 HZ2 0.0115 0.0098 0.0099 1251 LYS 82 HZ3 0.0155 0.0098 0.0101 1252 LYS 82 C -0.0037 0.0022 -0.0026 1253 LYS 82 O -0.0070 0.0004 -0.0055 1254 VAL 83 N 0.0075 -0.0009 -0.0033 1255 VAL 83 HN 0.0070 -0.0022 -0.0036 1256 VAL 83 CA 0.0070 -0.0018 -0.0048 1257 VAL 83 HA 0.0075 -0.0007 -0.0038 1258 VAL 83 CB 0.0070 -0.0011 -0.0084 1259 VAL 83 HB 0.0078 0.0014 -0.0087 1260 VAL 83 CG1 0.0063 -0.0028 -0.0103 1261 VAL 83 HG11 0.0063 -0.0020 -0.0128 1262 VAL 83 HG12 0.0065 -0.0023 -0.0093 1263 VAL 83 HG13 0.0054 -0.0052 -0.0102 1264 VAL 83 CG2 0.0067 -0.0017 -0.0097 1265 VAL 83 HG21 0.0068 -0.0009 -0.0123 1266 VAL 83 HG22 0.0058 -0.0042 -0.0097 1267 VAL 83 HG23 0.0072 -0.0006 -0.0083 1268 VAL 83 C 0.0059 -0.0052 -0.0041 1269 VAL 83 O 0.0053 -0.0071 -0.0041 1270 SER 84 N 0.0016 -0.0097 -0.0017 1271 SER 84 HN 0.0024 -0.0091 -0.0012 1272 SER 84 CA 0.0001 -0.0126 -0.0007 1273 SER 84 HA -0.0007 -0.0130 -0.0014 1274 SER 84 CB 0.0014 -0.0139 0.0025 1275 SER 84 HB1 0.0021 -0.0137 0.0033 1276 SER 84 HB2 0.0028 -0.0128 0.0033 1277 SER 84 OG -0.0000 -0.0167 0.0034 1278 SER 84 HG1 0.0009 -0.0174 0.0055 1279 SER 84 C -0.0018 -0.0139 -0.0020 1280 SER 84 O -0.0015 -0.0130 -0.0025 1281 ILE 85 N -0.0016 -0.0148 0.0015 1282 ILE 85 HN -0.0024 -0.0151 0.0013 1283 ILE 85 CA -0.0035 -0.0154 0.0010 1284 ILE 85 HA -0.0024 -0.0150 0.0010 1285 ILE 85 CB -0.0054 -0.0151 -0.0017 1286 ILE 85 HB -0.0068 -0.0157 -0.0016 1287 ILE 85 CG2 -0.0072 -0.0156 -0.0024 1288 ILE 85 HG21 -0.0086 -0.0152 -0.0044 1289 ILE 85 HG22 -0.0086 -0.0168 -0.0008 1290 ILE 85 HG23 -0.0059 -0.0150 -0.0025 1291 ILE 85 CG1 -0.0039 -0.0133 -0.0041 1292 ILE 85 HG11 -0.0054 -0.0132 -0.0060 1293 ILE 85 HG12 -0.0028 -0.0131 -0.0037 1294 ILE 85 CD -0.0018 -0.0122 -0.0046 1295 ILE 85 HD1 -0.0005 -0.0110 -0.0062 1296 ILE 85 HD2 -0.0028 -0.0123 -0.0054 1297 ILE 85 HD3 -0.0003 -0.0124 -0.0027 1298 ILE 85 C -0.0052 -0.0171 0.0033 1299 ILE 85 O -0.0066 -0.0179 0.0037 1300 LYS 86 N -0.0090 -0.0143 0.0051 1301 LYS 86 HN -0.0084 -0.0140 0.0050 1302 LYS 86 CA -0.0095 -0.0145 0.0058 1303 LYS 86 HA -0.0102 -0.0149 0.0057 1304 LYS 86 CB -0.0094 -0.0141 0.0068 1305 LYS 86 HB1 -0.0095 -0.0141 0.0069 1306 LYS 86 HB2 -0.0099 -0.0143 0.0073 1307 LYS 86 CG -0.0086 -0.0135 0.0071 1308 LYS 86 HG1 -0.0085 -0.0135 0.0071 1309 LYS 86 HG2 -0.0080 -0.0133 0.0066 1310 LYS 86 CD -0.0085 -0.0132 0.0081 1311 LYS 86 HD1 -0.0085 -0.0132 0.0081 1312 LYS 86 HD2 -0.0091 -0.0134 0.0086 1313 LYS 86 CE -0.0077 -0.0126 0.0085 1314 LYS 86 HE1 -0.0077 -0.0125 0.0087 1315 LYS 86 HE2 -0.0071 -0.0124 0.0080 1316 LYS 86 NZ -0.0076 -0.0123 0.0095 1317 LYS 86 HZ1 -0.0082 -0.0126 0.0098 1318 LYS 86 HZ2 -0.0072 -0.0121 0.0093 1319 LYS 86 HZ3 -0.0074 -0.0120 0.0099 1320 LYS 86 C -0.0094 -0.0145 0.0056 1321 LYS 86 O -0.0088 -0.0142 0.0050 1322 GLY 87 N -0.0107 -0.0086 0.0089 1323 GLY 87 HN -0.0115 -0.0089 0.0095 1324 GLY 87 CA -0.0086 -0.0081 0.0074 1325 GLY 87 HA1 -0.0077 -0.0096 0.0073 1326 GLY 87 HA2 -0.0080 -0.0077 0.0068 1327 GLY 87 C -0.0087 -0.0060 0.0066 1328 GLY 87 O -0.0103 -0.0047 0.0071 1329 HIS 88 N -0.0122 0.0014 0.0062 1330 HIS 88 HN -0.0072 -0.0016 0.0072 1331 HIS 88 CA -0.0112 0.0077 -0.0001 1332 HIS 88 HA -0.0165 0.0112 -0.0015 1333 HIS 88 CB -0.0031 0.0093 -0.0047 1334 HIS 88 HB1 0.0025 0.0062 -0.0039 1335 HIS 88 HB2 -0.0027 0.0084 -0.0040 1336 HIS 88 CD2 0.0030 0.0191 -0.0163 1337 HIS 88 HD2 0.0093 0.0169 -0.0166 1338 HIS 88 CG -0.0030 0.0164 -0.0114 1339 HIS 88 NE2 -0.0005 0.0257 -0.0212 1340 HIS 88 HE2 0.0021 0.0292 -0.0255 1341 HIS 88 ND1 -0.0103 0.0211 -0.0131 1342 HIS 88 HD1 -0.0157 0.0205 -0.0104 1343 HIS 88 CE1 -0.0085 0.0267 -0.0190 1344 HIS 88 HE1 -0.0129 0.0314 -0.0219 1345 HIS 88 C -0.0122 0.0085 -0.0005 1346 HIS 88 O -0.0105 0.0038 0.0033 1347 HIS 89 N -0.0080 0.0210 -0.0018 1348 HIS 89 HN -0.0092 0.0250 -0.0058 1349 HIS 89 CA -0.0089 0.0211 -0.0009 1350 HIS 89 HA -0.0099 0.0253 -0.0054 1351 HIS 89 CB -0.0024 0.0158 -0.0011 1352 HIS 89 HB1 -0.0033 0.0164 -0.0010 1353 HIS 89 HB2 -0.0012 0.0113 0.0035 1354 HIS 89 CD2 0.0099 0.0112 -0.0086 1355 HIS 89 HD2 0.0117 0.0067 -0.0047 1356 HIS 89 CG 0.0037 0.0157 -0.0078 1357 HIS 89 NE2 0.0138 0.0134 -0.0158 1358 HIS 89 HE2 0.0188 0.0112 -0.0183 1359 HIS 89 ND1 0.0037 0.0207 -0.0143 1360 HIS 89 HD1 -0.0002 0.0246 -0.0153 1361 HIS 89 CE1 0.0098 0.0192 -0.0190 1362 HIS 89 HE1 0.0115 0.0220 -0.0247 1363 HIS 89 C -0.0152 0.0213 0.0056 1364 HIS 89 O -0.0164 0.0209 0.0076 1365 HIS 90 N -0.0081 0.0078 0.0060 1366 HIS 90 HN -0.0042 0.0076 0.0026 1367 HIS 90 CA -0.0125 0.0084 0.0100 1368 HIS 90 HA -0.0104 0.0096 0.0082 1369 HIS 90 CB -0.0163 0.0151 0.0140 1370 HIS 90 HB1 -0.0199 0.0147 0.0172 1371 HIS 90 HB2 -0.0179 0.0150 0.0154 1372 HIS 90 CD2 -0.0086 0.0257 0.0080 1373 HIS 90 HD2 -0.0065 0.0239 0.0060 1374 HIS 90 CG -0.0130 0.0223 0.0117 1375 HIS 90 NE2 -0.0069 0.0323 0.0071 1376 HIS 90 HE2 -0.0037 0.0359 0.0045 1377 HIS 90 ND1 -0.0142 0.0271 0.0131 1378 HIS 90 HD1 -0.0176 0.0267 0.0161 1379 HIS 90 CE1 -0.0103 0.0330 0.0102 1380 HIS 90 HE1 -0.0102 0.0378 0.0105 1381 HIS 90 C -0.0158 0.0011 0.0124 1382 HIS 90 O -0.0202 0.0011 0.0163 1383 HIS 91 N -0.0069 0.0026 0.0133 1384 HIS 91 HN -0.0032 0.0043 0.0142 1385 HIS 91 CA -0.0085 -0.0004 0.0136 1386 HIS 91 HA -0.0126 0.0003 0.0119 1387 HIS 91 CB -0.0052 0.0015 0.0143 1388 HIS 91 HB1 -0.0066 -0.0007 0.0143 1389 HIS 91 HB2 -0.0009 0.0008 0.0160 1390 HIS 91 CD2 -0.0017 0.0117 0.0128 1391 HIS 91 HD2 0.0026 0.0117 0.0143 1392 HIS 91 CG -0.0055 0.0075 0.0125 1393 HIS 91 NE2 -0.0044 0.0163 0.0105 1394 HIS 91 HE2 -0.0029 0.0202 0.0100 1395 HIS 91 ND1 -0.0104 0.0093 0.0102 1396 HIS 91 HD1 -0.0139 0.0071 0.0096 1397 HIS 91 CE1 -0.0096 0.0146 0.0091 1398 HIS 91 HE1 -0.0127 0.0175 0.0072 1399 HIS 91 C -0.0083 -0.0066 0.0153 1400 HIS 91 O -0.0051 -0.0085 0.0170 1401 TYR 92 N -0.0050 -0.0119 0.0101 1402 TYR 92 HN -0.0062 -0.0109 0.0092 1403 TYR 92 CA -0.0051 -0.0146 0.0096 1404 TYR 92 HA -0.0039 -0.0157 0.0105 1405 TYR 92 CB -0.0070 -0.0155 0.0078 1406 TYR 92 HB1 -0.0072 -0.0174 0.0074 1407 TYR 92 HB2 -0.0082 -0.0142 0.0070 1408 TYR 92 CG -0.0071 -0.0156 0.0077 1409 TYR 92 CD1 -0.0077 -0.0135 0.0076 1410 TYR 92 HD1 -0.0080 -0.0117 0.0076 1411 TYR 92 CE1 -0.0077 -0.0136 0.0075 1412 TYR 92 HE1 -0.0081 -0.0119 0.0075 1413 TYR 92 CZ -0.0072 -0.0159 0.0075 1414 TYR 92 OH -0.0072 -0.0160 0.0076 1415 TYR 92 HH -0.0067 -0.0177 0.0077 1416 TYR 92 CD2 -0.0067 -0.0179 0.0077 1417 TYR 92 HD2 -0.0063 -0.0196 0.0078 1418 TYR 92 CE2 -0.0068 -0.0181 0.0076 1419 TYR 92 HE2 -0.0064 -0.0199 0.0076 1420 TYR 92 C -0.0048 -0.0152 0.0098 1421 TYR 92 O -0.0056 -0.0139 0.0092 1422 ILE 93 N -0.0012 -0.0146 0.0062 1423 ILE 93 HN -0.0009 -0.0150 0.0063 1424 ILE 93 CA -0.0016 -0.0141 0.0059 1425 ILE 93 HA -0.0021 -0.0137 0.0062 1426 ILE 93 CB -0.0016 -0.0142 0.0062 1427 ILE 93 HB -0.0012 -0.0146 0.0060 1428 ILE 93 CG2 -0.0018 -0.0146 0.0071 1429 ILE 93 HG21 -0.0018 -0.0147 0.0073 1430 ILE 93 HG22 -0.0022 -0.0142 0.0074 1431 ILE 93 HG23 -0.0015 -0.0150 0.0072 1432 ILE 93 CG1 -0.0021 -0.0136 0.0061 1433 ILE 93 HG11 -0.0025 -0.0133 0.0064 1434 ILE 93 HG12 -0.0020 -0.0134 0.0055 1435 ILE 93 CD -0.0020 -0.0138 0.0062 1436 ILE 93 HD1 -0.0015 -0.0141 0.0059 1437 ILE 93 HD2 -0.0023 -0.0134 0.0061 1438 ILE 93 HD3 -0.0021 -0.0141 0.0068 1439 ILE 93 C -0.0014 -0.0138 0.0051 1440 ILE 93 O -0.0009 -0.0141 0.0047 1441 SER 94 N 0.0014 -0.0112 0.0050 1442 SER 94 HN 0.0009 -0.0101 0.0060 1443 SER 94 CA 0.0011 -0.0109 0.0029 1444 SER 94 HA 0.0016 -0.0121 0.0020 1445 SER 94 CB 0.0004 -0.0094 0.0022 1446 SER 94 HB1 -0.0002 -0.0080 0.0029 1447 SER 94 HB2 0.0006 -0.0098 0.0029 1448 SER 94 OG 0.0002 -0.0093 0.0000 1449 SER 94 HG1 -0.0001 -0.0086 -0.0005 1450 SER 94 C 0.0007 -0.0101 0.0023 1451 SER 94 O 0.0002 -0.0088 0.0033 1452 ALA 95 N 0.0045 -0.0071 -0.0003 1453 ALA 95 HN 0.0056 -0.0077 -0.0007 1454 ALA 95 CA 0.0039 -0.0057 -0.0014 1455 ALA 95 HA 0.0027 -0.0052 -0.0008 1456 ALA 95 CB 0.0048 -0.0058 -0.0021 1457 ALA 95 HB1 0.0060 -0.0064 -0.0027 1458 ALA 95 HB2 0.0044 -0.0048 -0.0029 1459 ALA 95 HB3 0.0047 -0.0065 -0.0012 1460 ALA 95 C 0.0041 -0.0049 -0.0026 1461 ALA 95 O 0.0054 -0.0053 -0.0033 1462 ASP 96 N 0.0048 -0.0029 -0.0028 1463 ASP 96 HN 0.0043 -0.0021 -0.0013 1464 ASP 96 CA 0.0042 -0.0015 -0.0052 1465 ASP 96 HA 0.0044 -0.0018 -0.0062 1466 ASP 96 CB 0.0028 0.0011 -0.0045 1467 ASP 96 HB1 0.0022 0.0022 -0.0063 1468 ASP 96 HB2 0.0025 0.0014 -0.0034 1469 ASP 96 CG 0.0023 0.0018 -0.0028 1470 ASP 96 OD1 0.0011 0.0037 -0.0019 1471 ASP 96 OD2 0.0030 0.0005 -0.0025 1472 ASP 96 C 0.0047 -0.0022 -0.0069 1473 ASP 96 O 0.0053 -0.0034 -0.0061 1474 HIS 97 N 0.0044 -0.0054 -0.0095 1475 HIS 97 HN 0.0056 -0.0061 -0.0097 1476 HIS 97 CA 0.0048 -0.0029 -0.0097 1477 HIS 97 HA 0.0047 -0.0031 -0.0097 1478 HIS 97 CB 0.0073 -0.0018 -0.0103 1479 HIS 97 HB1 0.0075 0.0001 -0.0105 1480 HIS 97 HB2 0.0073 -0.0015 -0.0104 1481 HIS 97 CD2 0.0107 -0.0036 -0.0109 1482 HIS 97 HD2 0.0103 -0.0026 -0.0109 1483 HIS 97 CG 0.0094 -0.0034 -0.0107 1484 HIS 97 NE2 0.0125 -0.0053 -0.0112 1485 HIS 97 HE2 0.0135 -0.0062 -0.0113 1486 HIS 97 ND1 0.0105 -0.0050 -0.0108 1487 HIS 97 HD1 0.0100 -0.0052 -0.0107 1488 HIS 97 CE1 0.0124 -0.0061 -0.0111 1489 HIS 97 HE1 0.0136 -0.0075 -0.0112 1490 HIS 97 C 0.0027 -0.0010 -0.0095 1491 HIS 97 O 0.0023 0.0009 -0.0095 1492 HIS 98 N -0.0005 -0.0011 -0.0133 1493 HIS 98 HN -0.0012 0.0019 -0.0127 1494 HIS 98 CA 0.0007 -0.0006 -0.0113 1495 HIS 98 HA 0.0028 -0.0039 -0.0102 1496 HIS 98 CB -0.0019 0.0006 -0.0144 1497 HIS 98 HB1 -0.0040 0.0040 -0.0156 1498 HIS 98 HB2 -0.0026 -0.0026 -0.0173 1499 HIS 98 CD2 -0.0020 0.0049 -0.0120 1500 HIS 98 HD2 -0.0041 0.0084 -0.0130 1501 HIS 98 CG -0.0007 0.0012 -0.0124 1502 HIS 98 NE2 0.0001 0.0034 -0.0098 1503 HIS 98 HE2 -0.0001 0.0053 -0.0090 1504 HIS 98 ND1 0.0021 -0.0026 -0.0105 1505 HIS 98 HD1 0.0035 -0.0058 -0.0102 1506 HIS 98 CE1 0.0025 -0.0011 -0.0090 1507 HIS 98 HE1 0.0044 -0.0033 -0.0074 1508 HIS 98 C 0.0018 0.0036 -0.0072 1509 HIS 98 O 0.0008 0.0069 -0.0068 1510 GLY 99 N 0.0023 0.0037 -0.0069 1511 GLY 99 HN 0.0027 0.0022 -0.0073 1512 GLY 99 CA 0.0028 0.0058 -0.0037 1513 GLY 99 HA1 0.0016 0.0082 -0.0041 1514 GLY 99 HA2 0.0033 0.0058 -0.0027 1515 GLY 99 C 0.0044 0.0047 -0.0013 1516 GLY 99 O 0.0053 0.0020 -0.0017 1517 HIS 100 N 0.0054 0.0069 0.0030 1518 HIS 100 HN 0.0043 0.0082 0.0032 1519 HIS 100 CA 0.0059 0.0057 0.0052 1520 HIS 100 HA 0.0064 0.0049 0.0056 1521 HIS 100 CB 0.0046 0.0068 0.0072 1522 HIS 100 HB1 0.0050 0.0059 0.0088 1523 HIS 100 HB2 0.0041 0.0076 0.0067 1524 HIS 100 CD2 0.0036 0.0078 0.0081 1525 HIS 100 HD2 0.0046 0.0066 0.0081 1526 HIS 100 CG 0.0035 0.0081 0.0076 1527 HIS 100 NE2 0.0022 0.0095 0.0086 1528 HIS 100 HE2 0.0019 0.0097 0.0091 1529 HIS 100 ND1 0.0020 0.0099 0.0079 1530 HIS 100 HD1 0.0016 0.0105 0.0077 1531 HIS 100 CE1 0.0013 0.0106 0.0085 1532 HIS 100 HE1 0.0001 0.0121 0.0089 1533 HIS 100 C 0.0071 0.0043 0.0052 1534 HIS 100 O 0.0069 0.0047 0.0045 1535 VAL 101 N 0.0047 0.0006 0.0059 1536 VAL 101 HN 0.0042 0.0006 0.0067 1537 VAL 101 CA 0.0058 -0.0015 0.0062 1538 VAL 101 HA 0.0068 -0.0016 0.0046 1539 VAL 101 CB 0.0063 -0.0032 0.0069 1540 VAL 101 HB 0.0052 -0.0028 0.0084 1541 VAL 101 CG1 0.0073 -0.0055 0.0075 1542 VAL 101 HG11 0.0068 -0.0059 0.0088 1543 VAL 101 HG12 0.0084 -0.0060 0.0061 1544 VAL 101 HG13 0.0076 -0.0066 0.0081 1545 VAL 101 CG2 0.0072 -0.0028 0.0051 1546 VAL 101 HG21 0.0082 -0.0031 0.0037 1547 VAL 101 HG22 0.0065 -0.0012 0.0047 1548 VAL 101 HG23 0.0076 -0.0040 0.0056 1549 VAL 101 C 0.0051 -0.0020 0.0077 1550 VAL 101 O 0.0037 -0.0011 0.0092 1551 SER 102 N 0.0026 -0.0043 0.0105 1552 SER 102 HN 0.0025 -0.0058 0.0087 1553 SER 102 CA 0.0025 -0.0026 0.0111 1554 SER 102 HA 0.0027 -0.0017 0.0133 1555 SER 102 CB 0.0018 0.0001 0.0089 1556 SER 102 HB1 0.0016 0.0015 0.0090 1557 SER 102 HB2 0.0017 0.0016 0.0097 1558 SER 102 OG 0.0013 -0.0009 0.0058 1559 SER 102 HG1 0.0012 -0.0011 0.0048 1560 SER 102 C 0.0027 -0.0047 0.0110 1561 SER 102 O 0.0032 -0.0074 0.0118 1562 THR 103 N -0.0004 -0.0044 0.0104 1563 THR 103 HN -0.0004 -0.0023 0.0094 1564 THR 103 CA -0.0008 -0.0056 0.0097 1565 THR 103 HA -0.0014 -0.0081 0.0092 1566 THR 103 CB 0.0001 -0.0051 0.0123 1567 THR 103 HB 0.0006 -0.0063 0.0144 1568 THR 103 OG1 -0.0003 -0.0065 0.0116 1569 THR 103 HG1 0.0003 -0.0066 0.0135 1570 THR 103 CG2 0.0008 -0.0015 0.0128 1571 THR 103 HG21 0.0015 -0.0013 0.0148 1572 THR 103 HG22 0.0012 -0.0003 0.0134 1573 THR 103 HG23 0.0003 -0.0003 0.0108 1574 THR 103 C -0.0015 -0.0038 0.0067 1575 THR 103 O -0.0013 -0.0010 0.0060 1576 LYS 104 N -0.0029 -0.0030 0.0097 1577 LYS 104 HN -0.0025 -0.0045 0.0100 1578 LYS 104 CA -0.0038 -0.0018 0.0083 1579 LYS 104 HA -0.0038 -0.0001 0.0089 1580 LYS 104 CB -0.0048 -0.0019 0.0061 1581 LYS 104 HB1 -0.0048 -0.0012 0.0064 1582 LYS 104 HB2 -0.0055 -0.0008 0.0052 1583 LYS 104 CG -0.0050 -0.0042 0.0050 1584 LYS 104 HG1 -0.0052 -0.0047 0.0044 1585 LYS 104 HG2 -0.0043 -0.0054 0.0060 1586 LYS 104 CD -0.0059 -0.0042 0.0031 1587 LYS 104 HD1 -0.0057 -0.0038 0.0036 1588 LYS 104 HD2 -0.0066 -0.0028 0.0022 1589 LYS 104 CE -0.0062 -0.0064 0.0017 1590 LYS 104 HE1 -0.0064 -0.0067 0.0012 1591 LYS 104 HE2 -0.0056 -0.0078 0.0026 1592 LYS 104 NZ -0.0071 -0.0063 -0.0001 1593 LYS 104 HZ1 -0.0075 -0.0074 -0.0013 1594 LYS 104 HZ2 -0.0076 -0.0048 -0.0007 1595 LYS 104 HZ3 -0.0070 -0.0069 -0.0000 1596 LYS 104 C -0.0037 -0.0026 0.0082 1597 LYS 104 O -0.0031 -0.0044 0.0088 1598 GLU 105 N -0.0082 0.0119 0.0092 1599 GLU 105 HN -0.0089 0.0164 0.0075 1600 GLU 105 CA -0.0107 0.0126 0.0065 1601 GLU 105 HA -0.0080 0.0100 0.0099 1602 GLU 105 CB -0.0110 0.0219 0.0041 1603 GLU 105 HB1 -0.0138 0.0247 0.0005 1604 GLU 105 HB2 -0.0064 0.0255 0.0080 1605 GLU 105 CG -0.0134 0.0229 0.0013 1606 GLU 105 HG1 -0.0107 0.0200 0.0048 1607 GLU 105 HG2 -0.0182 0.0200 -0.0029 1608 GLU 105 CD -0.0130 0.0322 -0.0003 1609 GLU 105 OE1 -0.0084 0.0356 0.0036 1610 GLU 105 OE2 -0.0173 0.0359 -0.0057 1611 GLU 105 C -0.0169 0.0074 0.0012 1612 GLU 105 O -0.0205 0.0077 -0.0025 1613 HIS 106 N -0.0036 0.0028 0.0030 1614 HIS 106 HN -0.0035 0.0008 0.0071 1615 HIS 106 CA -0.0108 -0.0054 -0.0042 1616 HIS 106 HA -0.0143 -0.0104 -0.0059 1617 HIS 106 CB -0.0122 -0.0009 -0.0174 1618 HIS 106 HB1 -0.0180 -0.0080 -0.0222 1619 HIS 106 HB2 -0.0089 0.0043 -0.0168 1620 HIS 106 CD2 -0.0058 0.0166 -0.0304 1621 HIS 106 HD2 -0.0017 0.0231 -0.0299 1622 HIS 106 CG -0.0108 0.0056 -0.0254 1623 HIS 106 NE2 -0.0065 0.0184 -0.0362 1624 HIS 106 HE2 -0.0028 0.0260 -0.0389 1625 HIS 106 ND1 -0.0148 0.0004 -0.0282 1626 HIS 106 HD1 -0.0188 -0.0076 -0.0258 1627 HIS 106 CE1 -0.0120 0.0084 -0.0346 1628 HIS 106 HE1 -0.0137 0.0074 -0.0380 1629 HIS 106 C -0.0136 -0.0138 0.0028 1630 HIS 106 O -0.0098 -0.0111 0.0098 1631 HIS 107 N 0.0026 -0.0208 0.0045 1632 HIS 107 HN 0.0033 -0.0232 0.0047 1633 HIS 107 CA 0.0030 -0.0194 0.0037 1634 HIS 107 HA 0.0011 -0.0182 0.0047 1635 HIS 107 CB 0.0041 -0.0221 0.0038 1636 HIS 107 HB1 0.0059 -0.0237 0.0031 1637 HIS 107 HB2 0.0025 -0.0235 0.0054 1638 HIS 107 CD2 0.0076 -0.0206 0.0010 1639 HIS 107 HD2 0.0095 -0.0213 -0.0001 1640 HIS 107 CG 0.0050 -0.0208 0.0028 1641 HIS 107 NE2 0.0072 -0.0191 0.0008 1642 HIS 107 HE2 0.0087 -0.0184 -0.0005 1643 HIS 107 ND1 0.0030 -0.0196 0.0038 1644 HIS 107 HD1 0.0010 -0.0194 0.0051 1645 HIS 107 CE1 0.0045 -0.0186 0.0025 1646 HIS 107 HE1 0.0036 -0.0173 0.0027 1647 HIS 107 C 0.0050 -0.0170 0.0016 1648 HIS 107 O 0.0070 -0.0175 0.0004 1649 ASP 108 N 0.0061 -0.0202 0.0043 1650 ASP 108 HN 0.0047 -0.0198 0.0047 1651 ASP 108 CA 0.0072 -0.0177 0.0013 1652 ASP 108 HA 0.0099 -0.0186 0.0008 1653 ASP 108 CB 0.0041 -0.0159 0.0013 1654 ASP 108 HB1 0.0015 -0.0146 0.0014 1655 ASP 108 HB2 0.0034 -0.0176 0.0033 1656 ASP 108 CG 0.0052 -0.0137 -0.0014 1657 ASP 108 OD1 0.0082 -0.0131 -0.0035 1658 ASP 108 OD2 0.0028 -0.0125 -0.0013 1659 ASP 108 C 0.0078 -0.0157 -0.0009 1660 ASP 108 O 0.0067 -0.0159 -0.0001 1661 HIS 109 N 0.0190 -0.0179 0.0001 1662 HIS 109 HN 0.0231 -0.0189 0.0002 1663 HIS 109 CA 0.0186 -0.0079 -0.0045 1664 HIS 109 HA 0.0174 -0.0088 -0.0039 1665 HIS 109 CB 0.0294 -0.0023 -0.0081 1666 HIS 109 HB1 0.0281 0.0059 -0.0118 1667 HIS 109 HB2 0.0324 -0.0034 -0.0079 1668 HIS 109 CD2 0.0481 -0.0108 -0.0060 1669 HIS 109 HD2 0.0524 -0.0129 -0.0054 1670 HIS 109 CG 0.0380 -0.0062 -0.0071 1671 HIS 109 NE2 0.0529 -0.0130 -0.0054 1672 HIS 109 HE2 0.0603 -0.0164 -0.0046 1673 HIS 109 ND1 0.0366 -0.0054 -0.0074 1674 HIS 109 HD1 0.0298 -0.0025 -0.0081 1675 HIS 109 CE1 0.0457 -0.0097 -0.0063 1676 HIS 109 HE1 0.0468 -0.0103 -0.0061 1677 HIS 109 C 0.0084 -0.0016 -0.0064 1678 HIS 109 O 0.0047 0.0052 -0.0092 1679 ASP 110 N 0.0080 -0.0112 -0.0057 1680 ASP 110 HN 0.0083 -0.0114 -0.0056 1681 ASP 110 CA 0.0057 -0.0097 -0.0051 1682 ASP 110 HA 0.0056 -0.0084 -0.0066 1683 ASP 110 CB 0.0041 -0.0089 -0.0044 1684 ASP 110 HB1 0.0023 -0.0080 -0.0037 1685 ASP 110 HB2 0.0044 -0.0102 -0.0030 1686 ASP 110 CG 0.0042 -0.0076 -0.0062 1687 ASP 110 OD1 0.0055 -0.0070 -0.0083 1688 ASP 110 OD2 0.0030 -0.0071 -0.0056 1689 ASP 110 C 0.0048 -0.0105 -0.0031 1690 ASP 110 O 0.0032 -0.0094 -0.0028 1691 THR 111 N 0.0014 -0.0133 -0.0007 1692 THR 111 HN 0.0028 -0.0141 -0.0006 1693 THR 111 CA 0.0005 -0.0142 0.0008 1694 THR 111 HA -0.0012 -0.0133 0.0008 1695 THR 111 CB 0.0002 -0.0159 0.0029 1696 THR 111 HB -0.0009 -0.0163 0.0040 1697 THR 111 OG1 0.0023 -0.0174 0.0034 1698 THR 111 HG1 0.0029 -0.0178 0.0035 1699 THR 111 CG2 -0.0012 -0.0154 0.0032 1700 THR 111 HG21 -0.0002 -0.0150 0.0021 1701 THR 111 HG22 -0.0015 -0.0166 0.0047 1702 THR 111 HG23 -0.0029 -0.0143 0.0029 1703 THR 111 C 0.0021 -0.0148 0.0005 1704 THR 111 O 0.0019 -0.0158 0.0018 1705 THR 112 N 0.0063 -0.0112 -0.0016 1706 THR 112 HN 0.0079 -0.0107 -0.0009 1707 THR 112 CA 0.0063 -0.0089 -0.0015 1708 THR 112 HA 0.0042 -0.0095 -0.0024 1709 THR 112 CB 0.0092 -0.0091 -0.0002 1710 THR 112 HB 0.0113 -0.0083 0.0007 1711 THR 112 OG1 0.0098 -0.0124 -0.0001 1712 THR 112 HG1 0.0102 -0.0139 -0.0000 1713 THR 112 CG2 0.0089 -0.0068 -0.0002 1714 THR 112 HG21 0.0068 -0.0075 -0.0012 1715 THR 112 HG22 0.0110 -0.0072 0.0006 1716 THR 112 HG23 0.0088 -0.0041 -0.0002 1717 THR 112 C 0.0060 -0.0054 -0.0014 1718 THR 112 O 0.0076 -0.0043 -0.0007 1719 PHE 113 N 0.0109 -0.0024 -0.0011 1720 PHE 113 HN 0.0104 -0.0028 -0.0013 1721 PHE 113 CA 0.0101 -0.0000 -0.0025 1722 PHE 113 HA 0.0110 0.0004 -0.0021 1723 PHE 113 CB 0.0072 -0.0004 -0.0042 1724 PHE 113 HB1 0.0066 0.0012 -0.0052 1725 PHE 113 HB2 0.0064 -0.0004 -0.0047 1726 PHE 113 CG 0.0061 -0.0031 -0.0038 1727 PHE 113 CD1 0.0042 -0.0051 -0.0043 1728 PHE 113 HD1 0.0035 -0.0046 -0.0049 1729 PHE 113 CE1 0.0032 -0.0076 -0.0040 1730 PHE 113 HE1 0.0018 -0.0091 -0.0044 1731 PHE 113 CZ 0.0041 -0.0083 -0.0032 1732 PHE 113 HZ 0.0034 -0.0102 -0.0029 1733 PHE 113 CD2 0.0070 -0.0038 -0.0030 1734 PHE 113 HD2 0.0085 -0.0024 -0.0026 1735 PHE 113 CE2 0.0060 -0.0064 -0.0027 1736 PHE 113 HE2 0.0068 -0.0069 -0.0020 1737 PHE 113 C 0.0110 0.0024 -0.0028 1738 PHE 113 O 0.0118 0.0022 -0.0022 1739 GLU 114 N 0.0085 0.0084 -0.0032 1740 GLU 114 HN 0.0089 0.0070 -0.0030 1741 GLU 114 CA 0.0076 0.0124 -0.0030 1742 GLU 114 HA 0.0069 0.0136 -0.0042 1743 GLU 114 CB 0.0088 0.0140 0.0008 1744 GLU 114 HB1 0.0081 0.0172 0.0009 1745 GLU 114 HB2 0.0095 0.0130 0.0020 1746 GLU 114 CG 0.0099 0.0131 0.0033 1747 GLU 114 HG1 0.0108 0.0101 0.0037 1748 GLU 114 HG2 0.0093 0.0139 0.0021 1749 GLU 114 CD 0.0109 0.0152 0.0070 1750 GLU 114 OE1 0.0117 0.0151 0.0090 1751 GLU 114 OE2 0.0108 0.0168 0.0078 1752 GLU 114 C 0.0066 0.0134 -0.0052 1753 GLU 114 O 0.0068 0.0112 -0.0059 1754 GLU 115 N 0.0078 0.0154 -0.0093 1755 GLU 115 HN 0.0072 0.0155 -0.0096 1756 GLU 115 CA 0.0084 0.0145 -0.0086 1757 GLU 115 HA 0.0093 0.0148 -0.0084 1758 GLU 115 CB 0.0080 0.0140 -0.0085 1759 GLU 115 HB1 0.0083 0.0132 -0.0079 1760 GLU 115 HB2 0.0070 0.0138 -0.0087 1761 GLU 115 CG 0.0084 0.0148 -0.0088 1762 GLU 115 HG1 0.0082 0.0156 -0.0093 1763 GLU 115 HG2 0.0094 0.0149 -0.0085 1764 GLU 115 CD 0.0080 0.0144 -0.0087 1765 GLU 115 OE1 0.0081 0.0134 -0.0081 1766 GLU 115 OE2 0.0075 0.0150 -0.0092 1767 GLU 115 C 0.0083 0.0135 -0.0081 1768 GLU 115 O 0.0074 0.0132 -0.0082 1769 ILE 116 N 0.0119 0.0108 -0.0054 1770 ILE 116 HN 0.0128 0.0112 -0.0045 1771 ILE 116 CA 0.0120 0.0098 -0.0046 1772 ILE 116 HA 0.0110 0.0097 -0.0056 1773 ILE 116 CB 0.0136 0.0110 -0.0034 1774 ILE 116 HB 0.0146 0.0113 -0.0024 1775 ILE 116 CG2 0.0137 0.0132 -0.0048 1776 ILE 116 HG21 0.0134 0.0140 -0.0056 1777 ILE 116 HG22 0.0149 0.0142 -0.0040 1778 ILE 116 HG23 0.0127 0.0129 -0.0057 1779 ILE 116 CG1 0.0139 0.0098 -0.0023 1780 ILE 116 HG11 0.0129 0.0095 -0.0033 1781 ILE 116 HG12 0.0138 0.0082 -0.0014 1782 ILE 116 CD 0.0156 0.0110 -0.0011 1783 ILE 116 HD1 0.0166 0.0113 -0.0001 1784 ILE 116 HD2 0.0157 0.0100 -0.0003 1785 ILE 116 HD3 0.0157 0.0125 -0.0020 1786 ILE 116 C 0.0117 0.0075 -0.0034 1787 ILE 116 O 0.0125 0.0072 -0.0023 1788 ILE 117 N 0.0083 -0.0036 -0.0015 1789 ILE 117 HN 0.0055 -0.0024 -0.0050 1790 ILE 117 CA 0.0075 -0.0124 0.0007 1791 ILE 117 HA 0.0090 -0.0129 0.0026 1792 ILE 117 CB 0.0011 -0.0173 -0.0051 1793 ILE 117 HB -0.0009 -0.0160 -0.0077 1794 ILE 117 CG2 0.0003 -0.0270 -0.0025 1795 ILE 117 HG21 -0.0044 -0.0302 -0.0069 1796 ILE 117 HG22 0.0023 -0.0294 0.0006 1797 ILE 117 HG23 0.0024 -0.0286 0.0004 1798 ILE 117 CG1 -0.0024 -0.0144 -0.0102 1799 ILE 117 HG11 0.0004 -0.0124 -0.0075 1800 ILE 117 HG12 -0.0060 -0.0199 -0.0123 1801 ILE 117 CD -0.0054 -0.0073 -0.0160 1802 ILE 117 HD1 -0.0021 -0.0014 -0.0142 1803 ILE 117 HD2 -0.0083 -0.0093 -0.0188 1804 ILE 117 HD3 -0.0080 -0.0059 -0.0195 1805 ILE 117 C 0.0113 -0.0163 0.0065 1806 ILE 117 O 0.0117 -0.0149 0.0064 1807 ILE 118 N -0.0074 -0.0164 0.0153 1808 ILE 118 HN -0.0133 -0.0157 0.0107 1809 ILE 118 CA -0.0123 -0.0480 0.0584 1810 ILE 118 HA 0.0096 -0.0199 0.0310 1811 ILE 118 CB 0.0097 -0.0171 0.0269 1812 ILE 118 HB 0.0015 -0.0191 0.0247 1813 ILE 118 CG2 0.0200 -0.0217 0.0401 1814 ILE 118 HG21 0.0260 -0.0186 0.0392 1815 ILE 118 HG22 0.0138 -0.0296 0.0478 1816 ILE 118 HG23 0.0279 -0.0205 0.0431 1817 ILE 118 CG1 0.0179 -0.0060 0.0157 1818 ILE 118 HG11 0.0234 -0.0037 0.0158 1819 ILE 118 HG12 0.0099 -0.0029 0.0063 1820 ILE 118 CD 0.0290 -0.0016 0.0161 1821 ILE 118 HD1 0.0341 0.0064 0.0076 1822 ILE 118 HD2 0.0377 -0.0041 0.0251 1823 ILE 118 HD3 0.0237 -0.0036 0.0158 1824 ILE 118 C -0.0079 -0.0317 0.0374 1825 ILE 118 OT1 -0.0190 -0.0349 0.0352 1826 ILE 118 OT2 -0.0181 -0.0287 0.0267