1 ASN 3 N -0.0000 -0.0159 -0.0134 2 ASN 3 HN 0.0018 -0.0164 -0.0146 3 ASN 3 CA 0.0020 -0.0141 -0.0111 4 ASN 3 HA -0.0003 -0.0131 -0.0091 5 ASN 3 CB 0.0055 -0.0123 -0.0094 6 ASN 3 HB1 0.0071 -0.0109 -0.0078 7 ASN 3 HB2 0.0078 -0.0133 -0.0115 8 ASN 3 CG 0.0038 -0.0111 -0.0072 9 ASN 3 OD1 0.0025 -0.0093 -0.0041 10 ASN 3 ND2 0.0040 -0.0120 -0.0085 11 ASN 3 HD21 0.0028 -0.0112 -0.0071 12 ASN 3 HD22 0.0046 -0.0136 -0.0111 13 ASN 3 C 0.0036 -0.0150 -0.0130 14 ASN 3 O 0.0035 -0.0171 -0.0161 15 ARG 4 N 0.0131 -0.0158 -0.0174 16 ARG 4 HN 0.0132 -0.0146 -0.0204 17 ARG 4 CA 0.0087 -0.0094 -0.0099 18 ARG 4 HA 0.0092 -0.0121 -0.0061 19 ARG 4 CB 0.0066 -0.0081 -0.0018 20 ARG 4 HB1 0.0035 -0.0042 0.0045 21 ARG 4 HB2 0.0052 -0.0039 -0.0053 22 ARG 4 CG 0.0100 -0.0173 0.0032 23 ARG 4 HG1 0.0079 -0.0153 0.0090 24 ARG 4 HG2 0.0128 -0.0209 -0.0028 25 ARG 4 CD 0.0123 -0.0243 0.0084 26 ARG 4 HD1 0.0145 -0.0267 0.0026 27 ARG 4 HD2 0.0096 -0.0210 0.0146 28 ARG 4 NE 0.0153 -0.0324 0.0131 29 ARG 4 HE 0.0145 -0.0313 0.0144 30 ARG 4 CZ 0.0190 -0.0412 0.0149 31 ARG 4 NH1 0.0206 -0.0437 0.0129 32 ARG 4 HH11 0.0193 -0.0392 0.0086 33 ARG 4 HH12 0.0238 -0.0505 0.0132 34 ARG 4 NH2 0.0214 -0.0477 0.0190 35 ARG 4 HH21 0.0243 -0.0543 0.0203 36 ARG 4 HH22 0.0203 -0.0460 0.0202 37 ARG 4 C 0.0049 0.0006 -0.0146 38 ARG 4 O 0.0014 0.0060 -0.0100 39 ALA 5 N 0.0047 -0.0022 -0.0027 40 ALA 5 HN 0.0052 -0.0031 -0.0035 41 ALA 5 CA 0.0051 0.0005 -0.0040 42 ALA 5 HA 0.0044 0.0015 -0.0029 43 ALA 5 CB 0.0051 0.0026 -0.0044 44 ALA 5 HB1 0.0054 0.0046 -0.0054 45 ALA 5 HB2 0.0040 0.0031 -0.0024 46 ALA 5 HB3 0.0057 0.0016 -0.0054 47 ALA 5 C 0.0065 -0.0001 -0.0066 48 ALA 5 O 0.0074 -0.0021 -0.0078 49 PHE 6 N 0.0028 0.0010 -0.0052 50 PHE 6 HN 0.0021 0.0022 -0.0046 51 PHE 6 CA 0.0038 0.0004 -0.0066 52 PHE 6 HA 0.0046 -0.0008 -0.0074 53 PHE 6 CB 0.0035 -0.0007 -0.0057 54 PHE 6 HB1 0.0042 -0.0007 -0.0067 55 PHE 6 HB2 0.0026 0.0002 -0.0046 56 PHE 6 CG 0.0036 -0.0029 -0.0049 57 PHE 6 CD1 0.0026 -0.0034 -0.0032 58 PHE 6 HD1 0.0018 -0.0021 -0.0024 59 PHE 6 CE1 0.0027 -0.0055 -0.0025 60 PHE 6 HE1 0.0019 -0.0058 -0.0012 61 PHE 6 CZ 0.0037 -0.0071 -0.0036 62 PHE 6 HZ 0.0038 -0.0087 -0.0031 63 PHE 6 CD2 0.0046 -0.0046 -0.0060 64 PHE 6 HD2 0.0054 -0.0043 -0.0073 65 PHE 6 CE2 0.0047 -0.0067 -0.0053 66 PHE 6 HE2 0.0055 -0.0080 -0.0062 67 PHE 6 C 0.0043 0.0022 -0.0081 68 PHE 6 O 0.0037 0.0041 -0.0078 69 LYS 7 N 0.0010 0.0024 -0.0028 70 LYS 7 HN 0.0027 0.0000 -0.0026 71 LYS 7 CA 0.0020 0.0046 -0.0053 72 LYS 7 HA -0.0001 0.0069 -0.0052 73 LYS 7 CB 0.0045 0.0057 -0.0084 74 LYS 7 HB1 0.0034 0.0073 -0.0086 75 LYS 7 HB2 0.0051 0.0073 -0.0102 76 LYS 7 CG 0.0076 0.0026 -0.0089 77 LYS 7 HG1 0.0083 0.0007 -0.0081 78 LYS 7 HG2 0.0071 0.0015 -0.0076 79 LYS 7 CD 0.0103 0.0038 -0.0123 80 LYS 7 HD1 0.0098 0.0054 -0.0131 81 LYS 7 HD2 0.0104 0.0054 -0.0135 82 LYS 7 CE 0.0137 0.0008 -0.0131 83 LYS 7 HE1 0.0155 0.0019 -0.0156 84 LYS 7 HE2 0.0140 -0.0009 -0.0121 85 LYS 7 NZ 0.0142 -0.0012 -0.0121 86 LYS 7 HZ1 0.0147 0.0001 -0.0135 87 LYS 7 HZ2 0.0122 -0.0016 -0.0099 88 LYS 7 HZ3 0.0161 -0.0036 -0.0120 89 LYS 7 C 0.0032 0.0030 -0.0052 90 LYS 7 O 0.0043 -0.0001 -0.0039 91 SER 8 N -0.0035 0.0055 -0.0077 92 SER 8 HN -0.0035 0.0065 -0.0076 93 SER 8 CA -0.0028 0.0051 -0.0084 94 SER 8 HA -0.0026 0.0040 -0.0086 95 SER 8 CB -0.0033 0.0053 -0.0080 96 SER 8 HB1 -0.0040 0.0047 -0.0074 97 SER 8 HB2 -0.0027 0.0049 -0.0084 98 SER 8 OG -0.0034 0.0067 -0.0077 99 SER 8 HG1 -0.0039 0.0070 -0.0072 100 SER 8 C -0.0017 0.0059 -0.0092 101 SER 8 O -0.0016 0.0070 -0.0091 102 HIS 9 N -0.0006 0.0066 -0.0133 103 HIS 9 HN -0.0007 0.0058 -0.0135 104 HIS 9 CA 0.0005 0.0071 -0.0135 105 HIS 9 HA 0.0010 0.0064 -0.0139 106 HIS 9 CB 0.0008 0.0078 -0.0134 107 HIS 9 HB1 0.0017 0.0081 -0.0136 108 HIS 9 HB2 0.0003 0.0084 -0.0131 109 HIS 9 CD2 -0.0001 0.0068 -0.0134 110 HIS 9 HD2 -0.0007 0.0073 -0.0130 111 HIS 9 CG 0.0007 0.0070 -0.0136 112 HIS 9 NE2 0.0002 0.0059 -0.0138 113 HIS 9 HE2 -0.0002 0.0055 -0.0137 114 HIS 9 ND1 0.0014 0.0061 -0.0141 115 HIS 9 HD1 0.0021 0.0060 -0.0143 116 HIS 9 CE1 0.0011 0.0055 -0.0142 117 HIS 9 HE1 0.0014 0.0048 -0.0145 118 HIS 9 C 0.0009 0.0078 -0.0134 119 HIS 9 O 0.0010 0.0073 -0.0136 120 HIS 10 N 0.0126 0.0134 0.0009 121 HIS 10 HN 0.0044 0.0098 -0.0015 122 HIS 10 CA 0.0189 0.0189 -0.0053 123 HIS 10 HA 0.0272 0.0217 -0.0002 124 HIS 10 CB 0.0127 0.0163 -0.0075 125 HIS 10 HB1 0.0179 0.0206 -0.0117 126 HIS 10 HB2 0.0047 0.0141 -0.0136 127 HIS 10 CD2 -0.0000 0.0045 0.0068 128 HIS 10 HD2 -0.0084 0.0015 0.0023 129 HIS 10 CG 0.0100 0.0110 0.0037 130 HIS 10 NE2 0.0023 0.0023 0.0170 131 HIS 10 HE2 -0.0032 -0.0022 0.0214 132 HIS 10 ND1 0.0185 0.0129 0.0116 133 HIS 10 HD1 0.0268 0.0175 0.0114 134 HIS 10 CE1 0.0136 0.0076 0.0195 135 HIS 10 HE1 0.0179 0.0074 0.0270 136 HIS 10 C 0.0201 0.0239 -0.0177 137 HIS 10 O 0.0239 0.0283 -0.0249 138 GLY 11 N 0.0032 0.0096 -0.0050 139 GLY 11 HN 0.0034 0.0108 -0.0045 140 GLY 11 CA 0.0038 0.0078 -0.0030 141 GLY 11 HA1 0.0035 0.0066 -0.0038 142 GLY 11 HA2 0.0040 0.0064 -0.0023 143 GLY 11 C 0.0048 0.0093 -0.0006 144 GLY 11 O 0.0054 0.0079 0.0013 145 HIS 12 N -0.0043 0.0095 0.0071 146 HIS 12 HN -0.0033 0.0085 0.0081 147 HIS 12 CA -0.0023 0.0071 0.0040 148 HIS 12 HA -0.0021 0.0070 0.0055 149 HIS 12 CB 0.0010 0.0033 0.0035 150 HIS 12 HB1 0.0023 0.0017 0.0006 151 HIS 12 HB2 0.0008 0.0035 0.0025 152 HIS 12 CD2 0.0062 -0.0026 0.0081 153 HIS 12 HD2 0.0078 -0.0046 0.0053 154 HIS 12 CG 0.0031 0.0010 0.0078 155 HIS 12 NE2 0.0070 -0.0034 0.0129 156 HIS 12 HE2 0.0091 -0.0058 0.0143 157 HIS 12 ND1 0.0020 0.0024 0.0123 158 HIS 12 HD1 -0.0002 0.0049 0.0132 159 HIS 12 CE1 0.0044 -0.0003 0.0153 160 HIS 12 HE1 0.0043 -0.0001 0.0191 161 HIS 12 C -0.0037 0.0086 -0.0011 162 HIS 12 O -0.0054 0.0104 -0.0030 163 PHE 13 N -0.0007 0.0081 0.0019 164 PHE 13 HN -0.0008 0.0075 0.0016 165 PHE 13 CA 0.0002 0.0086 0.0017 166 PHE 13 HA 0.0004 0.0091 0.0019 167 PHE 13 CB 0.0007 0.0081 0.0009 168 PHE 13 HB1 0.0014 0.0085 0.0007 169 PHE 13 HB2 0.0006 0.0076 0.0006 170 PHE 13 CG 0.0006 0.0078 0.0007 171 PHE 13 CD1 0.0008 0.0083 0.0010 172 PHE 13 HD1 0.0011 0.0090 0.0013 173 PHE 13 CE1 0.0007 0.0080 0.0008 174 PHE 13 HE1 0.0009 0.0085 0.0010 175 PHE 13 CZ 0.0004 0.0072 0.0004 176 PHE 13 HZ 0.0003 0.0070 0.0003 177 PHE 13 CD2 0.0003 0.0070 0.0002 178 PHE 13 HD2 0.0002 0.0065 0.0000 179 PHE 13 CE2 0.0002 0.0067 0.0001 180 PHE 13 HE2 -0.0000 0.0060 -0.0002 181 PHE 13 C 0.0002 0.0088 0.0018 182 PHE 13 O -0.0003 0.0084 0.0018 183 LEU 14 N -0.0047 0.0053 -0.0035 184 LEU 14 HN -0.0048 0.0048 -0.0035 185 LEU 14 CA -0.0049 0.0053 -0.0032 186 LEU 14 HA -0.0046 0.0057 -0.0033 187 LEU 14 CB -0.0050 0.0045 -0.0033 188 LEU 14 HB1 -0.0051 0.0045 -0.0031 189 LEU 14 HB2 -0.0052 0.0041 -0.0031 190 LEU 14 CG -0.0046 0.0042 -0.0041 191 LEU 14 HG -0.0044 0.0042 -0.0043 192 LEU 14 CD1 -0.0047 0.0035 -0.0042 193 LEU 14 HD11 -0.0048 0.0035 -0.0040 194 LEU 14 HD12 -0.0044 0.0033 -0.0047 195 LEU 14 HD13 -0.0049 0.0031 -0.0040 196 LEU 14 CD2 -0.0042 0.0048 -0.0044 197 LEU 14 HD21 -0.0040 0.0053 -0.0044 198 LEU 14 HD22 -0.0039 0.0046 -0.0049 199 LEU 14 HD23 -0.0043 0.0049 -0.0042 200 LEU 14 C -0.0053 0.0055 -0.0024 201 LEU 14 O -0.0056 0.0052 -0.0021 202 SER 15 N -0.0039 0.0029 0.0003 203 SER 15 HN -0.0033 0.0019 0.0006 204 SER 15 CA -0.0046 0.0031 -0.0004 205 SER 15 HA -0.0054 0.0040 -0.0009 206 SER 15 CB -0.0042 0.0037 0.0005 207 SER 15 HB1 -0.0047 0.0037 -0.0002 208 SER 15 HB2 -0.0034 0.0029 0.0011 209 SER 15 OG -0.0044 0.0051 0.0013 210 SER 15 HG1 -0.0043 0.0052 0.0015 211 SER 15 C -0.0047 0.0018 -0.0016 212 SER 15 O -0.0040 0.0005 -0.0015 213 ALA 16 N -0.0063 -0.0018 0.0014 214 ALA 16 HN -0.0065 -0.0010 0.0010 215 ALA 16 CA -0.0058 -0.0027 -0.0002 216 ALA 16 HA -0.0057 -0.0034 0.0002 217 ALA 16 CB -0.0058 -0.0011 -0.0017 218 ALA 16 HB1 -0.0062 -0.0001 -0.0012 219 ALA 16 HB2 -0.0059 -0.0004 -0.0022 220 ALA 16 HB3 -0.0054 -0.0017 -0.0030 221 ALA 16 C -0.0052 -0.0041 -0.0010 222 ALA 16 O -0.0052 -0.0039 -0.0013 223 GLU 17 N 0.0012 -0.0110 -0.0020 224 GLU 17 HN 0.0005 -0.0098 -0.0016 225 GLU 17 CA 0.0021 -0.0129 -0.0025 226 GLU 17 HA 0.0033 -0.0137 -0.0031 227 GLU 17 CB 0.0005 -0.0147 -0.0021 228 GLU 17 HB1 0.0012 -0.0156 -0.0025 229 GLU 17 HB2 -0.0009 -0.0138 -0.0015 230 GLU 17 CG -0.0003 -0.0165 -0.0020 231 GLU 17 HG1 -0.0011 -0.0157 -0.0016 232 GLU 17 HG2 0.0010 -0.0175 -0.0026 233 GLU 17 CD -0.0018 -0.0182 -0.0016 234 GLU 17 OE1 -0.0035 -0.0189 -0.0010 235 GLU 17 OE2 -0.0016 -0.0185 -0.0017 236 GLU 17 C 0.0033 -0.0119 -0.0029 237 GLU 17 O 0.0024 -0.0108 -0.0024 238 GLY 18 N 0.0067 -0.0194 0.0003 239 GLY 18 HN 0.0079 -0.0209 -0.0004 240 GLY 18 CA 0.0104 -0.0192 -0.0025 241 GLY 18 HA1 0.0095 -0.0225 -0.0014 242 GLY 18 HA2 0.0140 -0.0202 -0.0051 243 GLY 18 C 0.0105 -0.0129 -0.0034 244 GLY 18 O 0.0124 -0.0087 -0.0054 245 GLU 19 N 0.0088 -0.0117 0.0036 246 GLU 19 HN 0.0094 -0.0166 0.0070 247 GLU 19 CA 0.0083 -0.0037 -0.0022 248 GLU 19 HA 0.0093 0.0008 -0.0063 249 GLU 19 CB 0.0158 -0.0053 -0.0058 250 GLU 19 HB1 0.0152 0.0009 -0.0101 251 GLU 19 HB2 0.0149 -0.0098 -0.0017 252 GLU 19 CG 0.0257 -0.0088 -0.0094 253 GLU 19 HG1 0.0271 -0.0151 -0.0054 254 GLU 19 HG2 0.0269 -0.0041 -0.0137 255 GLU 19 CD 0.0328 -0.0100 -0.0129 256 GLU 19 OE1 0.0313 -0.0044 -0.0163 257 GLU 19 OE2 0.0399 -0.0166 -0.0124 258 GLU 19 C -0.0009 0.0006 0.0003 259 GLU 19 O -0.0019 0.0068 -0.0038 260 ALA 20 N 0.0006 -0.0026 -0.0034 261 ALA 20 HN 0.0007 -0.0041 -0.0024 262 ALA 20 CA -0.0019 -0.0018 -0.0035 263 ALA 20 HA -0.0022 -0.0000 -0.0047 264 ALA 20 CB -0.0019 -0.0024 -0.0031 265 ALA 20 HB1 -0.0037 -0.0017 -0.0033 266 ALA 20 HB2 -0.0002 -0.0017 -0.0039 267 ALA 20 HB3 -0.0017 -0.0042 -0.0019 268 ALA 20 C -0.0042 -0.0027 -0.0025 269 ALA 20 O -0.0040 -0.0041 -0.0016 270 VAL 21 N -0.0045 0.0003 -0.0038 271 VAL 21 HN -0.0044 0.0005 -0.0042 272 VAL 21 CA -0.0053 0.0005 -0.0033 273 VAL 21 HA -0.0054 0.0003 -0.0029 274 VAL 21 CB -0.0060 0.0012 -0.0037 275 VAL 21 HB -0.0060 0.0014 -0.0040 276 VAL 21 CG1 -0.0069 0.0013 -0.0031 277 VAL 21 HG11 -0.0071 0.0011 -0.0026 278 VAL 21 HG12 -0.0069 0.0011 -0.0028 279 VAL 21 HG13 -0.0074 0.0018 -0.0034 280 VAL 21 CG2 -0.0059 0.0015 -0.0044 281 VAL 21 HG21 -0.0064 0.0020 -0.0047 282 VAL 21 HG22 -0.0058 0.0013 -0.0042 283 VAL 21 HG23 -0.0053 0.0015 -0.0049 284 VAL 21 C -0.0054 0.0001 -0.0026 285 VAL 21 O -0.0052 0.0002 -0.0029 286 LYS 22 N -0.0014 -0.0021 -0.0068 287 LYS 22 HN -0.0024 -0.0017 -0.0061 288 LYS 22 CA -0.0013 -0.0034 -0.0042 289 LYS 22 HA -0.0009 -0.0032 -0.0052 290 LYS 22 CB 0.0013 -0.0060 -0.0024 291 LYS 22 HB1 0.0035 -0.0065 -0.0044 292 LYS 22 HB2 0.0016 -0.0070 -0.0006 293 LYS 22 CG 0.0007 -0.0064 -0.0005 294 LYS 22 HG1 -0.0006 -0.0068 0.0021 295 LYS 22 HG2 -0.0007 -0.0049 -0.0018 296 LYS 22 CD 0.0037 -0.0084 -0.0006 297 LYS 22 HD1 0.0028 -0.0083 0.0005 298 LYS 22 HD2 0.0050 -0.0080 -0.0032 299 LYS 22 CE 0.0058 -0.0108 0.0015 300 LYS 22 HE1 0.0070 -0.0110 0.0003 301 LYS 22 HE2 0.0045 -0.0111 0.0041 302 LYS 22 NZ 0.0082 -0.0126 0.0019 303 LYS 22 HZ1 0.0095 -0.0142 0.0036 304 LYS 22 HZ2 0.0097 -0.0125 -0.0004 305 LYS 22 HZ3 0.0071 -0.0122 0.0027 306 LYS 22 C -0.0044 -0.0025 -0.0017 307 LYS 22 O -0.0063 -0.0013 -0.0015 308 THR 23 N 0.0035 0.0026 -0.0065 309 THR 23 HN 0.0059 0.0021 -0.0075 310 THR 23 CA 0.0014 0.0032 -0.0039 311 THR 23 HA -0.0016 0.0038 -0.0041 312 THR 23 CB 0.0020 0.0031 -0.0046 313 THR 23 HB 0.0051 0.0025 -0.0044 314 THR 23 OG1 0.0008 0.0030 -0.0084 315 THR 23 HG1 0.0015 0.0028 -0.0087 316 THR 23 CG2 -0.0002 0.0037 -0.0019 317 THR 23 HG21 0.0000 0.0036 -0.0027 318 THR 23 HG22 0.0009 0.0037 0.0011 319 THR 23 HG23 -0.0033 0.0043 -0.0020 320 THR 23 C 0.0027 0.0033 0.0002 321 THR 23 O 0.0061 0.0027 0.0009 322 HIS 24 N -0.0009 -0.0061 0.0047 323 HIS 24 HN -0.0026 -0.0012 0.0044 324 HIS 24 CA -0.0002 -0.0087 0.0067 325 HIS 24 HA 0.0015 -0.0139 0.0082 326 HIS 24 CB 0.0005 -0.0080 0.0004 327 HIS 24 HB1 -0.0012 -0.0028 -0.0014 328 HIS 24 HB2 0.0021 -0.0108 -0.0038 329 HIS 24 CD2 0.0009 -0.0085 -0.0012 330 HIS 24 HD2 -0.0002 -0.0042 -0.0047 331 HIS 24 CG 0.0013 -0.0107 0.0014 332 HIS 24 NE2 0.0022 -0.0129 0.0011 333 HIS 24 HE2 0.0024 -0.0130 -0.0004 334 HIS 24 ND1 0.0028 -0.0163 0.0055 335 HIS 24 HD1 0.0034 -0.0190 0.0082 336 HIS 24 CE1 0.0033 -0.0175 0.0051 337 HIS 24 HE1 0.0044 -0.0217 0.0076 338 HIS 24 C -0.0023 -0.0054 0.0128 339 HIS 24 O -0.0046 0.0005 0.0134 340 HIS 25 N 0.0117 -0.0097 0.0139 341 HIS 25 HN 0.0169 -0.0178 0.0131 342 HIS 25 CA 0.0030 -0.0117 0.0244 343 HIS 25 HA -0.0041 -0.0034 0.0270 344 HIS 25 CB 0.0018 -0.0244 0.0332 345 HIS 25 HB1 -0.0006 -0.0231 0.0350 346 HIS 25 HB2 -0.0044 -0.0263 0.0409 347 HIS 25 CD2 0.0149 -0.0462 0.0321 348 HIS 25 HD2 0.0113 -0.0474 0.0367 349 HIS 25 CG 0.0116 -0.0363 0.0297 350 HIS 25 NE2 0.0243 -0.0551 0.0272 351 HIS 25 HE2 0.0289 -0.0632 0.0272 352 HIS 25 ND1 0.0187 -0.0388 0.0236 353 HIS 25 HD1 0.0183 -0.0334 0.0208 354 HIS 25 CE1 0.0263 -0.0502 0.0222 355 HIS 25 HE1 0.0332 -0.0549 0.0176 356 HIS 25 C 0.0042 -0.0124 0.0235 357 HIS 25 O -0.0036 -0.0096 0.0302 358 GLY 26 N -0.0071 -0.0096 0.0139 359 GLY 26 HN -0.0046 -0.0117 0.0112 360 GLY 26 CA -0.0109 -0.0070 0.0157 361 GLY 26 HA1 -0.0147 -0.0050 0.0148 362 GLY 26 HA2 -0.0103 -0.0078 0.0133 363 GLY 26 C -0.0102 -0.0058 0.0222 364 GLY 26 O -0.0059 -0.0075 0.0253 365 HIS 27 N -0.0177 -0.0292 0.0264 366 HIS 27 HN -0.0326 -0.0604 0.0363 367 HIS 27 CA -0.0186 -0.0161 0.0400 368 HIS 27 HA -0.0297 -0.0501 0.0380 369 HIS 27 CB 0.0056 0.0170 0.0090 370 HIS 27 HB1 0.0022 0.0228 0.0224 371 HIS 27 HB2 0.0177 0.0529 0.0101 372 HIS 27 CD2 0.0398 0.0080 -0.0820 373 HIS 27 HD2 0.0529 0.0399 -0.0866 374 HIS 27 CG 0.0180 -0.0065 -0.0413 375 HIS 27 NE2 0.0420 -0.0280 -0.1180 376 HIS 27 HE2 0.0553 -0.0300 -0.1522 377 HIS 27 ND1 0.0068 -0.0505 -0.0515 378 HIS 27 HD1 -0.0092 -0.0693 -0.0284 379 HIS 27 CE1 0.0218 -0.0621 -0.0979 380 HIS 27 HE1 0.0182 -0.0957 -0.1177 381 HIS 27 C -0.0324 0.0050 0.0916 382 HIS 27 O -0.0275 0.0342 0.1045 383 HIS 28 N -0.0600 0.0211 0.0237 384 HIS 28 HN -0.0638 0.0387 0.0346 385 HIS 28 CA -0.0707 0.0226 0.0039 386 HIS 28 HA -0.0809 0.0441 0.0060 387 HIS 28 CB -0.0616 0.0113 0.0104 388 HIS 28 HB1 -0.0582 0.0237 0.0301 389 HIS 28 HB2 -0.0711 0.0143 -0.0054 390 HIS 28 CD2 -0.0288 -0.0278 0.0352 391 HIS 28 HD2 -0.0243 -0.0168 0.0556 392 HIS 28 CG -0.0450 -0.0179 0.0131 393 HIS 28 NE2 -0.0172 -0.0558 0.0291 394 HIS 28 HE2 -0.0046 -0.0681 0.0416 395 HIS 28 ND1 -0.0434 -0.0406 -0.0074 396 HIS 28 HD1 -0.0528 -0.0408 -0.0265 397 HIS 28 CE1 -0.0266 -0.0625 0.0033 398 HIS 28 HE1 -0.0216 -0.0831 -0.0081 399 HIS 28 C -0.0812 0.0136 -0.0265 400 HIS 28 O -0.0953 0.0246 -0.0431 401 ASP 29 N -0.0475 0.0323 -0.0183 402 ASP 29 HN -0.0470 0.0281 -0.0109 403 ASP 29 CA -0.0484 0.0307 -0.0266 404 ASP 29 HA -0.0493 0.0276 -0.0344 405 ASP 29 CB -0.0485 0.0216 -0.0224 406 ASP 29 HB1 -0.0492 0.0202 -0.0287 407 ASP 29 HB2 -0.0475 0.0242 -0.0141 408 ASP 29 CG -0.0491 0.0101 -0.0208 409 ASP 29 OD1 -0.0489 0.0027 -0.0148 410 ASP 29 OD2 -0.0496 0.0084 -0.0257 411 ASP 29 C -0.0480 0.0420 -0.0298 412 ASP 29 O -0.0469 0.0493 -0.0227 413 HIS 30 N -0.0078 0.0413 0.0094 414 HIS 30 HN -0.0209 0.0542 0.0170 415 HIS 30 CA 0.0231 0.0215 0.0339 416 HIS 30 HA 0.0387 0.0038 0.0162 417 HIS 30 CB 0.0384 0.0126 0.0499 418 HIS 30 HB1 0.0626 -0.0033 0.0672 419 HIS 30 HB2 0.0236 0.0303 0.0700 420 HIS 30 CD2 0.0278 0.0109 0.0078 421 HIS 30 HD2 0.0111 0.0287 0.0226 422 HIS 30 CG 0.0417 0.0013 0.0166 423 HIS 30 NE2 0.0395 -0.0076 -0.0256 424 HIS 30 HE2 0.0334 -0.0063 -0.0404 425 HIS 30 ND1 0.0622 -0.0227 -0.0099 426 HIS 30 HD1 0.0759 -0.0343 -0.0101 427 HIS 30 CE1 0.0601 -0.0273 -0.0347 428 HIS 30 HE1 0.0728 -0.0446 -0.0605 429 HIS 30 C 0.0198 0.0335 0.0701 430 HIS 30 O -0.0025 0.0571 0.0885 431 HIS 31 N 0.0015 0.0180 0.0076 432 HIS 31 HN 0.0004 0.0163 0.0078 433 HIS 31 CA 0.0011 0.0197 0.0054 434 HIS 31 HA 0.0015 0.0212 0.0046 435 HIS 31 CB -0.0012 0.0184 0.0037 436 HIS 31 HB1 -0.0016 0.0195 0.0021 437 HIS 31 HB2 -0.0018 0.0167 0.0046 438 HIS 31 CD2 -0.0033 0.0158 0.0035 439 HIS 31 HD2 -0.0031 0.0142 0.0052 440 HIS 31 CG -0.0024 0.0178 0.0027 441 HIS 31 NE2 -0.0044 0.0161 0.0018 442 HIS 31 HE2 -0.0051 0.0150 0.0019 443 HIS 31 ND1 -0.0031 0.0193 0.0004 444 HIS 31 HD1 -0.0027 0.0209 -0.0006 445 HIS 31 CE1 -0.0042 0.0182 -0.0000 446 HIS 31 HE1 -0.0049 0.0189 -0.0017 447 HIS 31 C 0.0021 0.0208 0.0058 448 HIS 31 O 0.0027 0.0198 0.0075 449 THR 32 N -0.0022 0.0105 -0.0001 450 THR 32 HN -0.0011 0.0102 0.0002 451 THR 32 CA -0.0031 0.0090 -0.0003 452 THR 32 HA -0.0045 0.0092 -0.0008 453 THR 32 CB -0.0027 0.0071 -0.0001 454 THR 32 HB -0.0013 0.0068 0.0004 455 THR 32 OG1 -0.0033 0.0071 -0.0003 456 THR 32 HG1 -0.0031 0.0084 -0.0003 457 THR 32 CG2 -0.0038 0.0056 -0.0003 458 THR 32 HG21 -0.0035 0.0043 -0.0001 459 THR 32 HG22 -0.0034 0.0054 -0.0002 460 THR 32 HG23 -0.0052 0.0058 -0.0008 461 THR 32 C -0.0026 0.0090 -0.0002 462 THR 32 O -0.0011 0.0089 0.0003 463 HIS 33 N 0.0012 0.0098 0.0026 464 HIS 33 HN 0.0003 0.0104 0.0035 465 HIS 33 CA 0.0006 0.0081 0.0022 466 HIS 33 HA 0.0015 0.0078 0.0013 467 HIS 33 CB -0.0010 0.0079 0.0033 468 HIS 33 HB1 -0.0015 0.0065 0.0030 469 HIS 33 HB2 -0.0020 0.0082 0.0043 470 HIS 33 CD2 0.0007 0.0106 0.0034 471 HIS 33 HD2 0.0020 0.0109 0.0025 472 HIS 33 CG -0.0007 0.0093 0.0038 473 HIS 33 NE2 0.0002 0.0116 0.0042 474 HIS 33 HE2 0.0010 0.0127 0.0042 475 HIS 33 ND1 -0.0020 0.0095 0.0049 476 HIS 33 HD1 -0.0032 0.0087 0.0055 477 HIS 33 CE1 -0.0014 0.0108 0.0051 478 HIS 33 HE1 -0.0022 0.0113 0.0060 479 HIS 33 C 0.0002 0.0066 0.0017 480 HIS 33 O -0.0007 0.0067 0.0025 481 PHE 34 N 0.0026 0.0041 -0.0010 482 PHE 34 HN 0.0029 0.0039 -0.0016 483 PHE 34 CA 0.0025 0.0045 0.0010 484 PHE 34 HA 0.0017 0.0047 0.0015 485 PHE 34 CB 0.0017 0.0048 0.0017 486 PHE 34 HB1 0.0018 0.0050 0.0032 487 PHE 34 HB2 0.0025 0.0045 0.0011 488 PHE 34 CG -0.0003 0.0051 0.0011 489 PHE 34 CD1 -0.0016 0.0056 0.0020 490 PHE 34 HD1 -0.0012 0.0057 0.0030 491 PHE 34 CE1 -0.0035 0.0059 0.0015 492 PHE 34 HE1 -0.0045 0.0063 0.0022 493 PHE 34 CZ -0.0040 0.0058 0.0002 494 PHE 34 HZ -0.0055 0.0061 -0.0002 495 PHE 34 CD2 -0.0009 0.0050 -0.0003 496 PHE 34 HD2 0.0001 0.0046 -0.0009 497 PHE 34 CE2 -0.0027 0.0053 -0.0007 498 PHE 34 HE2 -0.0032 0.0052 -0.0018 499 PHE 34 C 0.0044 0.0042 0.0019 500 PHE 34 O 0.0057 0.0038 0.0015 501 HIS 35 N 0.0051 0.0077 0.0025 502 HIS 35 HN 0.0047 0.0109 0.0040 503 HIS 35 CA 0.0063 0.0042 0.0055 504 HIS 35 HA 0.0067 0.0008 0.0037 505 HIS 35 CB 0.0071 0.0039 0.0101 506 HIS 35 HB1 0.0080 0.0017 0.0127 507 HIS 35 HB2 0.0066 0.0075 0.0117 508 HIS 35 CD2 0.0067 0.0043 0.0079 509 HIS 35 HD2 0.0058 0.0080 0.0074 510 HIS 35 CG 0.0074 0.0021 0.0091 511 HIS 35 NE2 0.0073 0.0012 0.0076 512 HIS 35 HE2 0.0070 0.0019 0.0067 513 HIS 35 ND1 0.0084 -0.0026 0.0095 514 HIS 35 HD1 0.0091 -0.0051 0.0105 515 HIS 35 CE1 0.0083 -0.0028 0.0086 516 HIS 35 HE1 0.0090 -0.0061 0.0086 517 HIS 35 C 0.0063 0.0052 0.0066 518 HIS 35 O 0.0058 0.0090 0.0083 519 VAL 36 N 0.0093 0.0038 0.0090 520 VAL 36 HN 0.0101 0.0038 0.0085 521 VAL 36 CA 0.0094 0.0033 0.0102 522 VAL 36 HA 0.0087 0.0034 0.0105 523 VAL 36 CB 0.0106 0.0029 0.0102 524 VAL 36 HB 0.0114 0.0028 0.0099 525 VAL 36 CG1 0.0107 0.0024 0.0115 526 VAL 36 HG11 0.0109 0.0021 0.0121 527 VAL 36 HG12 0.0099 0.0025 0.0119 528 VAL 36 HG13 0.0115 0.0021 0.0115 529 VAL 36 CG2 0.0105 0.0032 0.0095 530 VAL 36 HG21 0.0098 0.0033 0.0098 531 VAL 36 HG22 0.0104 0.0036 0.0085 532 VAL 36 HG23 0.0114 0.0030 0.0095 533 VAL 36 C 0.0095 0.0030 0.0110 534 VAL 36 O 0.0102 0.0029 0.0107 535 GLU 37 N 0.0089 0.0047 0.0107 536 GLU 37 HN 0.0088 0.0034 0.0113 537 GLU 37 CA 0.0076 0.0044 0.0098 538 GLU 37 HA 0.0078 0.0059 0.0092 539 GLU 37 CB 0.0056 0.0037 0.0086 540 GLU 37 HB1 0.0053 0.0021 0.0092 541 GLU 37 HB2 0.0055 0.0048 0.0080 542 GLU 37 CG 0.0040 0.0037 0.0074 543 GLU 37 HG1 0.0044 0.0053 0.0069 544 GLU 37 HG2 0.0039 0.0025 0.0080 545 GLU 37 CD 0.0022 0.0034 0.0062 546 GLU 37 OE1 0.0013 0.0016 0.0064 547 GLU 37 OE2 0.0016 0.0050 0.0049 548 GLU 37 C 0.0079 0.0028 0.0109 549 GLU 37 O 0.0082 0.0012 0.0120 550 ASN 38 N 0.0020 0.0049 0.0136 551 ASN 38 HN -0.0022 0.0102 0.0127 552 ASN 38 CA 0.0012 -0.0003 0.0097 553 ASN 38 HA 0.0066 -0.0037 0.0130 554 ASN 38 CB -0.0031 0.0055 0.0089 555 ASN 38 HB1 0.0005 0.0085 0.0143 556 ASN 38 HB2 -0.0045 0.0014 0.0052 557 ASN 38 CG -0.0102 0.0126 0.0062 558 ASN 38 OD1 -0.0152 0.0109 0.0002 559 ASN 38 ND2 -0.0107 0.0210 0.0108 560 ASN 38 HD21 -0.0154 0.0256 0.0089 561 ASN 38 HD22 -0.0067 0.0224 0.0156 562 ASN 38 C -0.0015 -0.0076 0.0026 563 ASN 38 O -0.0057 -0.0070 -0.0012 564 HIS 39 N 0.0025 -0.0071 0.0067 565 HIS 39 HN 0.0037 -0.0076 0.0065 566 HIS 39 CA 0.0022 -0.0088 0.0057 567 HIS 39 HA 0.0002 -0.0088 0.0056 568 HIS 39 CB 0.0039 -0.0084 0.0061 569 HIS 39 HB1 0.0040 -0.0099 0.0053 570 HIS 39 HB2 0.0059 -0.0080 0.0065 571 HIS 39 CD2 0.0036 -0.0042 0.0084 572 HIS 39 HD2 0.0049 -0.0033 0.0090 573 HIS 39 CG 0.0029 -0.0064 0.0071 574 HIS 39 NE2 0.0022 -0.0032 0.0088 575 HIS 39 HE2 0.0020 -0.0015 0.0097 576 HIS 39 ND1 0.0012 -0.0068 0.0067 577 HIS 39 HD1 0.0004 -0.0083 0.0058 578 HIS 39 CE1 0.0008 -0.0048 0.0078 579 HIS 39 HE1 -0.0006 -0.0045 0.0078 580 HIS 39 C 0.0028 -0.0111 0.0045 581 HIS 39 O 0.0039 -0.0126 0.0038 582 GLY 40 N -0.0040 -0.0009 -0.0044 583 GLY 40 HN -0.0091 -0.0001 -0.0001 584 GLY 40 CA -0.0072 0.0014 -0.0126 585 GLY 40 HA1 -0.0016 0.0007 -0.0184 586 GLY 40 HA2 -0.0137 0.0037 -0.0152 587 GLY 40 C -0.0099 0.0016 -0.0095 588 GLY 40 O -0.0142 0.0016 -0.0016 589 GLY 41 N -0.0206 0.0128 -0.0255 590 GLY 41 HN -0.0167 0.0083 -0.0387 591 GLY 41 CA -0.0183 0.0130 -0.0168 592 GLY 41 HA1 -0.0138 0.0085 -0.0275 593 GLY 41 HA2 -0.0304 0.0208 -0.0123 594 GLY 41 C -0.0059 0.0088 0.0011 595 GLY 41 O -0.0068 0.0112 0.0120 596 LYS 42 N 0.0062 -0.0095 0.0061 597 LYS 42 HN 0.0055 -0.0097 0.0057 598 LYS 42 CA 0.0072 -0.0090 0.0068 599 LYS 42 HA 0.0078 -0.0086 0.0072 600 LYS 42 CB 0.0081 -0.0099 0.0066 601 LYS 42 HB1 0.0086 -0.0094 0.0071 602 LYS 42 HB2 0.0075 -0.0105 0.0060 603 LYS 42 CG 0.0092 -0.0107 0.0066 604 LYS 42 HG1 0.0088 -0.0113 0.0061 605 LYS 42 HG2 0.0098 -0.0101 0.0071 606 LYS 42 CD 0.0103 -0.0116 0.0065 607 LYS 42 HD1 0.0112 -0.0119 0.0066 608 LYS 42 HD2 0.0107 -0.0110 0.0070 609 LYS 42 CE 0.0098 -0.0127 0.0057 610 LYS 42 HE1 0.0106 -0.0132 0.0057 611 LYS 42 HE2 0.0090 -0.0123 0.0056 612 LYS 42 NZ 0.0094 -0.0135 0.0051 613 LYS 42 HZ1 0.0092 -0.0143 0.0046 614 LYS 42 HZ2 0.0102 -0.0138 0.0052 615 LYS 42 HZ3 0.0086 -0.0131 0.0050 616 LYS 42 C 0.0065 -0.0078 0.0071 617 LYS 42 O 0.0054 -0.0079 0.0067 618 VAL 43 N 0.0081 -0.0045 0.0114 619 VAL 43 HN 0.0090 -0.0046 0.0118 620 VAL 43 CA 0.0076 -0.0034 0.0114 621 VAL 43 HA 0.0066 -0.0033 0.0110 622 VAL 43 CB 0.0081 -0.0022 0.0119 623 VAL 43 HB 0.0075 -0.0014 0.0118 624 VAL 43 CG1 0.0081 -0.0020 0.0119 625 VAL 43 HG11 0.0084 -0.0011 0.0122 626 VAL 43 HG12 0.0072 -0.0021 0.0115 627 VAL 43 HG13 0.0087 -0.0028 0.0120 628 VAL 43 CG2 0.0094 -0.0022 0.0124 629 VAL 43 HG21 0.0097 -0.0013 0.0128 630 VAL 43 HG22 0.0099 -0.0030 0.0125 631 VAL 43 HG23 0.0093 -0.0022 0.0124 632 VAL 43 C 0.0075 -0.0036 0.0113 633 VAL 43 O 0.0082 -0.0044 0.0115 634 ALA 44 N 0.0069 -0.0011 0.0085 635 ALA 44 HN 0.0066 -0.0005 0.0082 636 ALA 44 CA 0.0058 -0.0005 0.0081 637 ALA 44 HA 0.0063 -0.0012 0.0084 638 ALA 44 CB 0.0036 -0.0007 0.0080 639 ALA 44 HB1 0.0032 -0.0022 0.0085 640 ALA 44 HB2 0.0031 0.0001 0.0077 641 ALA 44 HB3 0.0028 -0.0003 0.0078 642 ALA 44 C 0.0065 0.0015 0.0075 643 ALA 44 O 0.0068 0.0025 0.0071 644 LEU 45 N 0.0024 0.0025 0.0074 645 LEU 45 HN 0.0014 0.0026 0.0080 646 LEU 45 CA 0.0027 0.0030 0.0056 647 LEU 45 HA 0.0039 0.0028 0.0051 648 LEU 45 CB 0.0026 0.0033 0.0050 649 LEU 45 HB1 0.0027 0.0037 0.0036 650 LEU 45 HB2 0.0013 0.0035 0.0055 651 LEU 45 CG 0.0039 0.0026 0.0057 652 LEU 45 HG 0.0038 0.0021 0.0071 653 LEU 45 CD1 0.0036 0.0029 0.0052 654 LEU 45 HD11 0.0046 0.0024 0.0057 655 LEU 45 HD12 0.0023 0.0031 0.0058 656 LEU 45 HD13 0.0036 0.0034 0.0038 657 LEU 45 CD2 0.0058 0.0023 0.0050 658 LEU 45 HD21 0.0058 0.0027 0.0037 659 LEU 45 HD22 0.0063 0.0018 0.0058 660 LEU 45 HD23 0.0067 0.0020 0.0049 661 LEU 45 C 0.0013 0.0038 0.0048 662 LEU 45 O -0.0003 0.0041 0.0052 663 LYS 46 N 0.0007 0.0076 0.0041 664 LYS 46 HN 0.0020 0.0084 0.0039 665 LYS 46 CA -0.0004 0.0070 0.0021 666 LYS 46 HA -0.0018 0.0061 0.0025 667 LYS 46 CB 0.0000 0.0073 0.0011 668 LYS 46 HB1 -0.0001 0.0071 0.0023 669 LYS 46 HB2 -0.0010 0.0066 -0.0002 670 LYS 46 CG 0.0019 0.0085 -0.0000 671 LYS 46 HG1 0.0020 0.0086 -0.0014 672 LYS 46 HG2 0.0030 0.0091 0.0012 673 LYS 46 CD 0.0021 0.0087 -0.0007 674 LYS 46 HD1 0.0022 0.0087 0.0007 675 LYS 46 HD2 0.0009 0.0079 -0.0017 676 LYS 46 CE 0.0038 0.0098 -0.0021 677 LYS 46 HE1 0.0037 0.0098 -0.0036 678 LYS 46 HE2 0.0051 0.0105 -0.0012 679 LYS 46 NZ 0.0039 0.0099 -0.0025 680 LYS 46 HZ1 0.0045 0.0102 -0.0012 681 LYS 46 HZ2 0.0047 0.0104 -0.0038 682 LYS 46 HZ3 0.0026 0.0091 -0.0027 683 LYS 46 C -0.0001 0.0072 0.0006 684 LYS 46 O 0.0013 0.0081 0.0006 685 THR 47 N -0.0035 0.0068 -0.0003 686 THR 47 HN -0.0041 0.0057 -0.0007 687 THR 47 CA -0.0036 0.0060 -0.0014 688 THR 47 HA -0.0037 0.0066 -0.0000 689 THR 47 CB -0.0051 0.0034 -0.0020 690 THR 47 HB -0.0052 0.0029 -0.0025 691 THR 47 OG1 -0.0050 0.0024 -0.0040 692 THR 47 HG1 -0.0060 0.0009 -0.0040 693 THR 47 CG2 -0.0066 0.0025 0.0002 694 THR 47 HG21 -0.0066 0.0029 0.0007 695 THR 47 HG22 -0.0077 0.0007 -0.0001 696 THR 47 HG23 -0.0068 0.0033 0.0019 697 THR 47 C -0.0021 0.0069 -0.0037 698 THR 47 O -0.0010 0.0079 -0.0047 699 HIS 48 N -0.0038 0.0087 -0.0023 700 HIS 48 HN -0.0033 0.0082 -0.0005 701 HIS 48 CA -0.0043 0.0105 -0.0042 702 HIS 48 HA -0.0044 0.0125 -0.0047 703 HIS 48 CB -0.0039 0.0114 -0.0026 704 HIS 48 HB1 -0.0033 0.0126 -0.0006 705 HIS 48 HB2 -0.0042 0.0129 -0.0040 706 HIS 48 CD2 -0.0039 0.0079 -0.0026 707 HIS 48 HD2 -0.0043 0.0089 -0.0042 708 HIS 48 CG -0.0036 0.0088 -0.0017 709 HIS 48 NE2 -0.0034 0.0054 -0.0010 710 HIS 48 HE2 -0.0035 0.0043 -0.0010 711 HIS 48 ND1 -0.0030 0.0068 0.0004 712 HIS 48 HD1 -0.0027 0.0069 0.0015 713 HIS 48 CE1 -0.0030 0.0049 0.0008 714 HIS 48 HE1 -0.0025 0.0030 0.0023 715 HIS 48 C -0.0051 0.0091 -0.0070 716 HIS 48 O -0.0057 0.0105 -0.0092 717 CYS 49 N 0.0033 0.0026 -0.0178 718 CYS 49 HN -0.0013 0.0002 -0.0102 719 CYS 49 CA 0.0062 -0.0044 -0.0278 720 CYS 49 HA 0.0104 -0.0035 -0.0354 721 CYS 49 CB 0.0010 -0.0181 -0.0259 722 CYS 49 HB1 -0.0029 -0.0190 -0.0186 723 CYS 49 HB2 -0.0011 -0.0209 -0.0234 724 CYS 49 SG 0.0042 -0.0285 -0.0386 725 CYS 49 HG1 0.0080 -0.0211 -0.0414 726 CYS 49 C 0.0087 0.0007 -0.0296 727 CYS 49 O 0.0113 -0.0039 -0.0375 728 GLY 50 N -0.0008 0.0037 -0.0101 729 GLY 50 HN -0.0005 0.0047 -0.0086 730 GLY 50 CA 0.0004 0.0057 -0.0083 731 GLY 50 HA1 0.0019 0.0059 -0.0110 732 GLY 50 HA2 0.0021 0.0082 -0.0061 733 GLY 50 C -0.0026 0.0041 -0.0053 734 GLY 50 O -0.0021 0.0049 -0.0045 735 LYS 51 N -0.0010 0.0036 -0.0077 736 LYS 51 HN -0.0028 0.0012 -0.0072 737 LYS 51 CA -0.0034 0.0036 -0.0058 738 LYS 51 HA -0.0007 0.0048 -0.0074 739 LYS 51 CB -0.0067 -0.0022 -0.0056 740 LYS 51 HB1 -0.0082 -0.0021 -0.0044 741 LYS 51 HB2 -0.0098 -0.0031 -0.0036 742 LYS 51 CG -0.0041 -0.0073 -0.0094 743 LYS 51 HG1 -0.0069 -0.0113 -0.0088 744 LYS 51 HG2 -0.0021 -0.0073 -0.0109 745 LYS 51 CD -0.0005 -0.0073 -0.0121 746 LYS 51 HD1 0.0023 -0.0031 -0.0126 747 LYS 51 HD2 -0.0026 -0.0075 -0.0106 748 LYS 51 CE 0.0022 -0.0122 -0.0160 749 LYS 51 HE1 -0.0004 -0.0163 -0.0155 750 LYS 51 HE2 0.0049 -0.0114 -0.0177 751 LYS 51 NZ 0.0048 -0.0129 -0.0182 752 LYS 51 HZ1 0.0070 -0.0159 -0.0209 753 LYS 51 HZ2 0.0024 -0.0141 -0.0168 754 LYS 51 HZ3 0.0072 -0.0090 -0.0185 755 LYS 51 C -0.0065 0.0082 -0.0018 756 LYS 51 O -0.0089 0.0087 0.0002 757 TYR 52 N -0.0059 0.0094 -0.0020 758 TYR 52 HN -0.0069 0.0094 -0.0015 759 TYR 52 CA -0.0049 0.0088 -0.0009 760 TYR 52 HA -0.0037 0.0087 -0.0013 761 TYR 52 CB -0.0050 0.0082 0.0007 762 TYR 52 HB1 -0.0046 0.0078 0.0016 763 TYR 52 HB2 -0.0063 0.0083 0.0011 764 TYR 52 CG -0.0041 0.0081 0.0007 765 TYR 52 CD1 -0.0046 0.0084 -0.0000 766 TYR 52 HD1 -0.0058 0.0089 -0.0006 767 TYR 52 CE1 -0.0037 0.0083 -0.0001 768 TYR 52 HE1 -0.0042 0.0086 -0.0007 769 TYR 52 CZ -0.0023 0.0077 0.0006 770 TYR 52 OH -0.0014 0.0076 0.0005 771 TYR 52 HH -0.0004 0.0072 0.0012 772 TYR 52 CD2 -0.0026 0.0075 0.0014 773 TYR 52 HD2 -0.0022 0.0072 0.0019 774 TYR 52 CE2 -0.0017 0.0073 0.0014 775 TYR 52 HE2 -0.0006 0.0069 0.0019 776 TYR 52 C -0.0055 0.0088 -0.0006 777 TYR 52 O -0.0069 0.0090 -0.0005 778 LEU 53 N -0.0041 0.0068 -0.0004 779 LEU 53 HN -0.0040 0.0066 -0.0004 780 LEU 53 CA -0.0045 0.0071 -0.0005 781 LEU 53 HA -0.0047 0.0071 -0.0006 782 LEU 53 CB -0.0048 0.0068 -0.0008 783 LEU 53 HB1 -0.0050 0.0071 -0.0009 784 LEU 53 HB2 -0.0046 0.0067 -0.0008 785 LEU 53 CG -0.0049 0.0065 -0.0012 786 LEU 53 HG -0.0050 0.0066 -0.0012 787 LEU 53 CD1 -0.0045 0.0060 -0.0011 788 LEU 53 HD11 -0.0046 0.0058 -0.0014 789 LEU 53 HD12 -0.0043 0.0061 -0.0009 790 LEU 53 HD13 -0.0044 0.0059 -0.0011 791 LEU 53 CD2 -0.0052 0.0064 -0.0015 792 LEU 53 HD21 -0.0055 0.0067 -0.0015 793 LEU 53 HD22 -0.0053 0.0061 -0.0017 794 LEU 53 HD23 -0.0051 0.0062 -0.0015 795 LEU 53 C -0.0045 0.0075 -0.0003 796 LEU 53 O -0.0043 0.0076 -0.0001 797 SER 54 N -0.0031 0.0092 -0.0023 798 SER 54 HN -0.0027 0.0098 -0.0020 799 SER 54 CA -0.0029 0.0090 -0.0030 800 SER 54 HA -0.0033 0.0083 -0.0034 801 SER 54 CB -0.0028 0.0095 -0.0024 802 SER 54 HB1 -0.0023 0.0102 -0.0020 803 SER 54 HB2 -0.0035 0.0092 -0.0017 804 SER 54 OG -0.0026 0.0093 -0.0031 805 SER 54 HG1 -0.0031 0.0087 -0.0032 806 SER 54 C -0.0020 0.0094 -0.0038 807 SER 54 O -0.0015 0.0101 -0.0036 808 ILE 55 N -0.0008 0.0044 -0.0017 809 ILE 55 HN -0.0007 0.0046 -0.0018 810 ILE 55 CA -0.0010 0.0045 -0.0018 811 ILE 55 HA -0.0011 0.0042 -0.0016 812 ILE 55 CB -0.0014 0.0048 -0.0019 813 ILE 55 HB -0.0013 0.0051 -0.0021 814 ILE 55 CG2 -0.0017 0.0046 -0.0018 815 ILE 55 HG21 -0.0018 0.0043 -0.0017 816 ILE 55 HG22 -0.0016 0.0046 -0.0019 817 ILE 55 HG23 -0.0021 0.0048 -0.0019 818 ILE 55 CG1 -0.0017 0.0048 -0.0019 819 ILE 55 HG11 -0.0015 0.0050 -0.0020 820 ILE 55 HG12 -0.0020 0.0050 -0.0020 821 ILE 55 CD -0.0018 0.0044 -0.0017 822 ILE 55 HD1 -0.0014 0.0043 -0.0017 823 ILE 55 HD2 -0.0019 0.0042 -0.0016 824 ILE 55 HD3 -0.0020 0.0044 -0.0018 825 ILE 55 C -0.0006 0.0047 -0.0019 826 ILE 55 O -0.0007 0.0048 -0.0019 827 GLY 56 N 0.0052 0.0114 -0.0098 828 GLY 56 HN 0.0039 0.0115 -0.0093 829 GLY 56 CA 0.0066 0.0114 -0.0101 830 GLY 56 HA1 0.0074 0.0118 -0.0088 831 GLY 56 HA2 0.0058 0.0113 -0.0105 832 GLY 56 C 0.0082 0.0111 -0.0116 833 GLY 56 O 0.0077 0.0107 -0.0132 834 ASP 57 N 0.0003 0.0078 -0.0175 835 ASP 57 HN 0.0030 -0.0076 -0.0343 836 ASP 57 CA -0.0158 0.0013 -0.0012 837 ASP 57 HA -0.0116 0.0202 0.0091 838 ASP 57 CB -0.0161 -0.0209 -0.0197 839 ASP 57 HB1 -0.0283 -0.0266 -0.0081 840 ASP 57 HB2 -0.0203 -0.0403 -0.0306 841 ASP 57 CG 0.0061 -0.0107 -0.0410 842 ASP 57 OD1 0.0208 0.0150 -0.0392 843 ASP 57 OD2 0.0077 -0.0290 -0.0588 844 ASP 57 C -0.0394 -0.0115 0.0197 845 ASP 57 O -0.0554 -0.0230 0.0316 846 HIS 58 N -0.0111 0.0012 0.0004 847 HIS 58 HN -0.0126 0.0012 0.0008 848 HIS 58 CA -0.0057 0.0045 -0.0008 849 HIS 58 HA -0.0032 0.0019 -0.0018 850 HIS 58 CB -0.0069 0.0107 0.0004 851 HIS 58 HB1 -0.0101 0.0130 0.0016 852 HIS 58 HB2 -0.0090 0.0098 0.0009 853 HIS 58 CD2 -0.0011 0.0209 -0.0000 854 HIS 58 HD2 -0.0040 0.0238 0.0012 855 HIS 58 CG -0.0018 0.0150 -0.0006 856 HIS 58 NE2 0.0043 0.0228 -0.0014 857 HIS 58 HE2 0.0060 0.0270 -0.0013 858 HIS 58 ND1 0.0031 0.0132 -0.0022 859 HIS 58 HD1 0.0038 0.0091 -0.0030 860 HIS 58 CE1 0.0066 0.0180 -0.0027 861 HIS 58 HE1 0.0108 0.0182 -0.0039 862 HIS 58 C -0.0017 0.0054 -0.0019 863 HIS 58 O -0.0033 0.0040 -0.0016 864 LYS 59 N -0.0045 0.0059 -0.0011 865 LYS 59 HN -0.0033 0.0063 -0.0011 866 LYS 59 CA -0.0021 0.0067 -0.0011 867 LYS 59 HA -0.0026 0.0045 -0.0018 868 LYS 59 CB 0.0020 0.0070 -0.0015 869 LYS 59 HB1 0.0036 0.0078 -0.0014 870 LYS 59 HB2 0.0023 0.0092 -0.0007 871 LYS 59 CG 0.0036 0.0037 -0.0028 872 LYS 59 HG1 0.0066 0.0042 -0.0030 873 LYS 59 HG2 0.0024 0.0033 -0.0028 874 LYS 59 CD 0.0028 0.0004 -0.0039 875 LYS 59 HD1 0.0043 -0.0018 -0.0049 876 LYS 59 HD2 -0.0002 -0.0004 -0.0038 877 LYS 59 CE 0.0037 0.0005 -0.0040 878 LYS 59 HE1 0.0032 -0.0021 -0.0049 879 LYS 59 HE2 0.0020 0.0024 -0.0031 880 LYS 59 NZ 0.0076 0.0016 -0.0040 881 LYS 59 HZ1 0.0093 0.0001 -0.0048 882 LYS 59 HZ2 0.0080 0.0042 -0.0032 883 LYS 59 HZ3 0.0082 0.0015 -0.0042 884 LYS 59 C -0.0031 0.0098 0.0001 885 LYS 59 O -0.0026 0.0098 0.0001 886 GLN 60 N -0.0018 0.0097 -0.0026 887 GLN 60 HN -0.0017 0.0104 -0.0022 888 GLN 60 CA -0.0020 0.0095 -0.0021 889 GLN 60 HA -0.0019 0.0089 -0.0028 890 GLN 60 CB -0.0017 0.0107 -0.0017 891 GLN 60 HB1 -0.0019 0.0105 -0.0015 892 GLN 60 HB2 -0.0018 0.0112 -0.0009 893 GLN 60 CG -0.0012 0.0117 -0.0028 894 GLN 60 HG1 -0.0010 0.0124 -0.0026 895 GLN 60 HG2 -0.0010 0.0122 -0.0029 896 GLN 60 CD -0.0010 0.0111 -0.0041 897 GLN 60 OE1 -0.0008 0.0109 -0.0049 898 GLN 60 NE2 -0.0010 0.0108 -0.0044 899 GLN 60 HE21 -0.0011 0.0108 -0.0038 900 GLN 60 HE22 -0.0008 0.0104 -0.0053 901 GLN 60 C -0.0025 0.0087 -0.0009 902 GLN 60 O -0.0027 0.0089 -0.0001 903 VAL 61 N -0.0044 0.0056 -0.0025 904 VAL 61 HN -0.0047 0.0054 -0.0024 905 VAL 61 CA -0.0044 0.0055 -0.0024 906 VAL 61 HA -0.0044 0.0058 -0.0027 907 VAL 61 CB -0.0049 0.0052 -0.0023 908 VAL 61 HB -0.0049 0.0050 -0.0020 909 VAL 61 CG1 -0.0049 0.0051 -0.0022 910 VAL 61 HG11 -0.0048 0.0054 -0.0024 911 VAL 61 HG12 -0.0053 0.0050 -0.0021 912 VAL 61 HG13 -0.0046 0.0050 -0.0019 913 VAL 61 CG2 -0.0053 0.0054 -0.0026 914 VAL 61 HG21 -0.0057 0.0053 -0.0026 915 VAL 61 HG22 -0.0053 0.0057 -0.0029 916 VAL 61 HG23 -0.0054 0.0055 -0.0027 917 VAL 61 C -0.0039 0.0054 -0.0021 918 VAL 61 O -0.0037 0.0051 -0.0018 919 TYR 62 N -0.0057 0.0136 -0.0084 920 TYR 62 HN -0.0067 0.0146 -0.0098 921 TYR 62 CA -0.0025 0.0133 -0.0061 922 TYR 62 HA -0.0015 0.0127 -0.0049 923 TYR 62 CB -0.0000 0.0163 -0.0071 924 TYR 62 HB1 -0.0006 0.0167 -0.0077 925 TYR 62 HB2 -0.0003 0.0183 -0.0088 926 TYR 62 CG 0.0036 0.0164 -0.0049 927 TYR 62 CD1 0.0054 0.0159 -0.0033 928 TYR 62 HD1 0.0042 0.0154 -0.0036 929 TYR 62 CE1 0.0087 0.0159 -0.0012 930 TYR 62 HE1 0.0101 0.0155 0.0001 931 TYR 62 CZ 0.0103 0.0165 -0.0007 932 TYR 62 OH 0.0136 0.0164 0.0014 933 TYR 62 HH 0.0139 0.0158 0.0021 934 TYR 62 CD2 0.0052 0.0170 -0.0044 935 TYR 62 HD2 0.0038 0.0174 -0.0056 936 TYR 62 CE2 0.0085 0.0170 -0.0023 937 TYR 62 HE2 0.0097 0.0174 -0.0019 938 TYR 62 C -0.0031 0.0106 -0.0042 939 TYR 62 O -0.0053 0.0099 -0.0050 940 LEU 63 N -0.0044 0.0085 -0.0052 941 LEU 63 HN -0.0036 0.0075 -0.0051 942 LEU 63 CA -0.0030 0.0070 -0.0051 943 LEU 63 HA -0.0039 0.0083 -0.0052 944 LEU 63 CB -0.0039 0.0034 -0.0042 945 LEU 63 HB1 -0.0022 0.0019 -0.0041 946 LEU 63 HB2 -0.0064 0.0031 -0.0039 947 LEU 63 CG -0.0038 0.0021 -0.0040 948 LEU 63 HG -0.0015 0.0029 -0.0044 949 LEU 63 CD1 -0.0067 0.0034 -0.0040 950 LEU 63 HD11 -0.0091 0.0027 -0.0036 951 LEU 63 HD12 -0.0066 0.0025 -0.0038 952 LEU 63 HD13 -0.0067 0.0061 -0.0045 953 LEU 63 CD2 -0.0037 -0.0016 -0.0032 954 LEU 63 HD21 -0.0038 -0.0026 -0.0030 955 LEU 63 HD22 -0.0059 -0.0025 -0.0028 956 LEU 63 HD23 -0.0014 -0.0025 -0.0033 957 LEU 63 C 0.0007 0.0075 -0.0055 958 LEU 63 O 0.0023 0.0064 -0.0055 959 SER 64 N -0.0069 0.0118 -0.0044 960 SER 64 HN -0.0071 0.0111 -0.0048 961 SER 64 CA -0.0056 0.0127 -0.0028 962 SER 64 HA -0.0056 0.0139 -0.0026 963 SER 64 CB -0.0055 0.0136 -0.0026 964 SER 64 HB1 -0.0057 0.0125 -0.0029 965 SER 64 HB2 -0.0063 0.0148 -0.0033 966 SER 64 OG -0.0043 0.0144 -0.0011 967 SER 64 HG1 -0.0036 0.0133 -0.0005 968 SER 64 C -0.0044 0.0112 -0.0017 969 SER 64 O -0.0044 0.0095 -0.0020 970 HIS 65 N 0.0004 0.0205 -0.0060 971 HIS 65 HN 0.0035 0.0300 -0.0066 972 HIS 65 CA 0.0092 0.0124 0.0023 973 HIS 65 HA 0.0051 0.0016 0.0026 974 HIS 65 CB 0.0201 0.0130 0.0095 975 HIS 65 HB1 0.0247 0.0239 0.0095 976 HIS 65 HB2 0.0171 0.0096 0.0084 977 HIS 65 CD2 0.0401 0.0078 0.0245 978 HIS 65 HD2 0.0451 0.0181 0.0250 979 HIS 65 CG 0.0289 0.0041 0.0180 980 HIS 65 NE2 0.0442 -0.0043 0.0307 981 HIS 65 HE2 0.0519 -0.0051 0.0362 982 HIS 65 ND1 0.0259 -0.0102 0.0200 983 HIS 65 HD1 0.0183 -0.0158 0.0165 984 HIS 65 CE1 0.0352 -0.0148 0.0277 985 HIS 65 HE1 0.0359 -0.0257 0.0313 986 HIS 65 C 0.0133 0.0174 0.0036 987 HIS 65 O 0.0184 0.0293 0.0037 988 HIS 66 N -0.0036 0.0042 -0.0022 989 HIS 66 HN -0.0045 0.0057 0.0008 990 HIS 66 CA -0.0053 0.0099 -0.0058 991 HIS 66 HA -0.0073 0.0147 -0.0042 992 HIS 66 CB -0.0043 0.0099 -0.0146 993 HIS 66 HB1 -0.0058 0.0146 -0.0171 994 HIS 66 HB2 -0.0022 0.0051 -0.0166 995 HIS 66 CD2 -0.0022 0.0075 -0.0239 996 HIS 66 HD2 -0.0005 0.0044 -0.0281 997 HIS 66 CG -0.0040 0.0103 -0.0176 998 HIS 66 NE2 -0.0030 0.0096 -0.0241 999 HIS 66 HE2 -0.0022 0.0089 -0.0283 1000 HIS 66 ND1 -0.0059 0.0141 -0.0139 1001 HIS 66 HD1 -0.0075 0.0167 -0.0091 1002 HIS 66 CE1 -0.0052 0.0135 -0.0180 1003 HIS 66 HE1 -0.0063 0.0160 -0.0167 1004 HIS 66 C -0.0060 0.0107 -0.0027 1005 HIS 66 O -0.0049 0.0065 0.0021 1006 LEU 67 N -0.0135 0.0072 0.0027 1007 LEU 67 HN -0.0133 0.0065 0.0034 1008 LEU 67 CA -0.0119 0.0054 0.0039 1009 LEU 67 HA -0.0107 0.0062 0.0019 1010 LEU 67 CB -0.0089 0.0029 0.0050 1011 LEU 67 HB1 -0.0099 0.0019 0.0069 1012 LEU 67 HB2 -0.0073 0.0035 0.0030 1013 LEU 67 CG -0.0066 0.0009 0.0058 1014 LEU 67 HG -0.0079 -0.0002 0.0081 1015 LEU 67 CD1 -0.0056 0.0021 0.0036 1016 LEU 67 HD11 -0.0079 0.0033 0.0037 1017 LEU 67 HD12 -0.0045 0.0034 0.0011 1018 LEU 67 HD13 -0.0037 0.0006 0.0041 1019 LEU 67 CD2 -0.0033 -0.0011 0.0060 1020 LEU 67 HD21 -0.0016 -0.0026 0.0068 1021 LEU 67 HD22 -0.0018 -0.0001 0.0037 1022 LEU 67 HD23 -0.0038 -0.0021 0.0077 1023 LEU 67 C -0.0144 0.0049 0.0063 1024 LEU 67 O -0.0158 0.0037 0.0089 1025 HIS 68 N -0.0194 0.0067 0.0141 1026 HIS 68 HN -0.0159 0.0102 0.0123 1027 HIS 68 CA -0.0168 0.0060 0.0114 1028 HIS 68 HA -0.0208 0.0074 0.0157 1029 HIS 68 CB -0.0098 0.0130 0.0076 1030 HIS 68 HB1 -0.0056 0.0119 0.0032 1031 HIS 68 HB2 -0.0105 0.0198 0.0111 1032 HIS 68 CD2 -0.0007 0.0139 -0.0006 1033 HIS 68 HD2 0.0041 0.0139 -0.0051 1034 HIS 68 CG -0.0073 0.0134 0.0054 1035 HIS 68 NE2 -0.0015 0.0140 0.0002 1036 HIS 68 HE2 0.0020 0.0132 -0.0034 1037 HIS 68 ND1 -0.0120 0.0132 0.0098 1038 HIS 68 HD1 -0.0172 0.0129 0.0145 1039 HIS 68 CE1 -0.0083 0.0136 0.0065 1040 HIS 68 HE1 -0.0104 0.0134 0.0083 1041 HIS 68 C -0.0162 -0.0034 0.0070 1042 HIS 68 O -0.0144 -0.0082 0.0033 1043 GLY 69 N -0.0401 -0.0090 0.0265 1044 GLY 69 HN -0.0410 0.0003 0.0322 1045 GLY 69 CA -0.0410 -0.0274 0.0180 1046 GLY 69 HA1 -0.0453 -0.0287 0.0214 1047 GLY 69 HA2 -0.0481 -0.0374 0.0196 1048 GLY 69 C -0.0263 -0.0308 0.0021 1049 GLY 69 O -0.0249 -0.0455 -0.0068 1050 ASP 70 N -0.0144 -0.0045 -0.0275 1051 ASP 70 HN -0.0036 -0.0021 -0.0194 1052 ASP 70 CA -0.0031 -0.0059 -0.0364 1053 ASP 70 HA -0.0101 -0.0100 -0.0533 1054 ASP 70 CB 0.0237 -0.0049 -0.0389 1055 ASP 70 HB1 0.0320 -0.0065 -0.0486 1056 ASP 70 HB2 0.0322 -0.0006 -0.0221 1057 ASP 70 CG 0.0283 -0.0076 -0.0524 1058 ASP 70 OD1 0.0224 -0.0125 -0.0729 1059 ASP 70 OD2 0.0367 -0.0047 -0.0415 1060 ASP 70 C -0.0081 -0.0028 -0.0215 1061 ASP 70 O -0.0124 0.0015 -0.0009 1062 HIS 71 N -0.0036 -0.0027 -0.0074 1063 HIS 71 HN -0.0032 -0.0044 -0.0084 1064 HIS 71 CA -0.0020 -0.0016 -0.0068 1065 HIS 71 HA -0.0020 -0.0029 -0.0075 1066 HIS 71 CB 0.0010 -0.0014 -0.0068 1067 HIS 71 HB1 0.0023 -0.0008 -0.0065 1068 HIS 71 HB2 0.0012 -0.0002 -0.0061 1069 HIS 71 CD2 0.0029 -0.0045 -0.0087 1070 HIS 71 HD2 0.0031 -0.0035 -0.0081 1071 HIS 71 CG 0.0020 -0.0037 -0.0082 1072 HIS 71 NE2 0.0036 -0.0068 -0.0101 1073 HIS 71 HE2 0.0042 -0.0078 -0.0107 1074 HIS 71 ND1 0.0021 -0.0055 -0.0093 1075 HIS 71 HD1 0.0016 -0.0055 -0.0092 1076 HIS 71 CE1 0.0030 -0.0073 -0.0104 1077 HIS 71 HE1 0.0034 -0.0090 -0.0114 1078 HIS 71 C -0.0029 0.0006 -0.0054 1079 HIS 71 O -0.0015 0.0024 -0.0044 1080 SER 72 N -0.0017 -0.0027 -0.0002 1081 SER 72 HN -0.0028 -0.0049 0.0005 1082 SER 72 CA -0.0022 -0.0006 -0.0001 1083 SER 72 HA -0.0005 0.0014 -0.0011 1084 SER 72 CB -0.0055 0.0011 0.0014 1085 SER 72 HB1 -0.0056 0.0029 0.0013 1086 SER 72 HB2 -0.0073 -0.0009 0.0024 1087 SER 72 OG -0.0061 0.0032 0.0016 1088 SER 72 HG1 -0.0067 0.0015 0.0020 1089 SER 72 C -0.0017 -0.0027 -0.0002 1090 SER 72 O -0.0024 -0.0014 0.0000 1091 LEU 73 N 0.0072 -0.0089 0.0033 1092 LEU 73 HN 0.0077 -0.0097 0.0030 1093 LEU 73 CA 0.0074 -0.0096 0.0031 1094 LEU 73 HA 0.0067 -0.0087 0.0034 1095 LEU 73 CB 0.0065 -0.0115 0.0031 1096 LEU 73 HB1 0.0065 -0.0118 0.0031 1097 LEU 73 HB2 0.0074 -0.0125 0.0027 1098 LEU 73 CG 0.0047 -0.0118 0.0036 1099 LEU 73 HG 0.0047 -0.0115 0.0036 1100 LEU 73 CD1 0.0041 -0.0138 0.0035 1101 LEU 73 HD11 0.0028 -0.0141 0.0038 1102 LEU 73 HD12 0.0050 -0.0147 0.0031 1103 LEU 73 HD13 0.0040 -0.0142 0.0035 1104 LEU 73 CD2 0.0033 -0.0106 0.0041 1105 LEU 73 HD21 0.0037 -0.0092 0.0042 1106 LEU 73 HD22 0.0020 -0.0109 0.0044 1107 LEU 73 HD23 0.0033 -0.0109 0.0041 1108 LEU 73 C 0.0093 -0.0096 0.0026 1109 LEU 73 O 0.0104 -0.0103 0.0022 1110 PHE 74 N 0.0061 -0.0030 0.0091 1111 PHE 74 HN 0.0071 -0.0035 0.0087 1112 PHE 74 CA 0.0065 -0.0032 0.0074 1113 PHE 74 HA 0.0054 -0.0026 0.0080 1114 PHE 74 CB 0.0062 -0.0028 0.0045 1115 PHE 74 HB1 0.0067 -0.0030 0.0031 1116 PHE 74 HB2 0.0072 -0.0032 0.0040 1117 PHE 74 CG 0.0036 -0.0015 0.0040 1118 PHE 74 CD1 0.0026 -0.0011 0.0043 1119 PHE 74 HD1 0.0038 -0.0017 0.0049 1120 PHE 74 CE1 0.0003 0.0000 0.0038 1121 PHE 74 HE1 -0.0004 0.0003 0.0040 1122 PHE 74 CZ -0.0012 0.0008 0.0029 1123 PHE 74 HZ -0.0030 0.0017 0.0025 1124 PHE 74 CD2 0.0021 -0.0008 0.0032 1125 PHE 74 HD2 0.0028 -0.0011 0.0029 1126 PHE 74 CE2 -0.0003 0.0004 0.0026 1127 PHE 74 HE2 -0.0014 0.0009 0.0020 1128 PHE 74 C 0.0090 -0.0043 0.0075 1129 PHE 74 O 0.0107 -0.0052 0.0085 1130 HIS 75 N 0.0037 -0.0042 0.0085 1131 HIS 75 HN 0.0034 -0.0045 0.0087 1132 HIS 75 CA 0.0027 -0.0037 0.0086 1133 HIS 75 HA 0.0032 -0.0036 0.0085 1134 HIS 75 CB 0.0021 -0.0023 0.0084 1135 HIS 75 HB1 0.0017 -0.0024 0.0085 1136 HIS 75 HB2 0.0030 -0.0016 0.0080 1137 HIS 75 CD2 0.0005 -0.0019 0.0086 1138 HIS 75 HD2 0.0007 -0.0027 0.0088 1139 HIS 75 CG 0.0011 -0.0016 0.0084 1140 HIS 75 NE2 -0.0004 -0.0008 0.0085 1141 HIS 75 HE2 -0.0010 -0.0008 0.0086 1142 HIS 75 ND1 0.0006 -0.0004 0.0082 1143 HIS 75 HD1 0.0008 0.0001 0.0080 1144 HIS 75 CE1 -0.0003 0.0000 0.0083 1145 HIS 75 HE1 -0.0009 0.0010 0.0081 1146 HIS 75 C 0.0016 -0.0046 0.0091 1147 HIS 75 O 0.0010 -0.0050 0.0093 1148 LEU 76 N 0.0062 0.0006 0.0085 1149 LEU 76 HN 0.0079 0.0002 0.0094 1150 LEU 76 CA 0.0056 -0.0010 0.0065 1151 LEU 76 HA 0.0041 -0.0009 0.0056 1152 LEU 76 CB 0.0076 -0.0031 0.0059 1153 LEU 76 HB1 0.0070 -0.0043 0.0043 1154 LEU 76 HB2 0.0091 -0.0033 0.0067 1155 LEU 76 CG 0.0084 -0.0032 0.0063 1156 LEU 76 HG 0.0089 -0.0020 0.0078 1157 LEU 76 CD1 0.0105 -0.0052 0.0058 1158 LEU 76 HD11 0.0101 -0.0065 0.0042 1159 LEU 76 HD12 0.0110 -0.0053 0.0060 1160 LEU 76 HD13 0.0119 -0.0052 0.0068 1161 LEU 76 CD2 0.0065 -0.0031 0.0050 1162 LEU 76 HD21 0.0050 -0.0017 0.0054 1163 LEU 76 HD22 0.0071 -0.0032 0.0053 1164 LEU 76 HD23 0.0059 -0.0043 0.0034 1165 LEU 76 C 0.0053 -0.0010 0.0063 1166 LEU 76 O 0.0069 -0.0013 0.0072 1167 GLU 77 N -0.0022 -0.0014 0.0048 1168 GLU 77 HN -0.0037 -0.0022 0.0042 1169 GLU 77 CA -0.0035 -0.0005 0.0054 1170 GLU 77 HA -0.0017 0.0007 0.0062 1171 GLU 77 CB -0.0065 0.0013 0.0063 1172 GLU 77 HB1 -0.0074 0.0019 0.0066 1173 GLU 77 HB2 -0.0084 0.0003 0.0055 1174 GLU 77 CG -0.0058 0.0038 0.0080 1175 GLU 77 HG1 -0.0057 0.0034 0.0078 1176 GLU 77 HG2 -0.0033 0.0045 0.0086 1177 GLU 77 CD -0.0081 0.0061 0.0094 1178 GLU 77 OE1 -0.0109 0.0061 0.0091 1179 GLU 77 OE2 -0.0070 0.0082 0.0108 1180 GLU 77 C -0.0041 -0.0029 0.0037 1181 GLU 77 O -0.0061 -0.0045 0.0025 1182 HIS 78 N -0.0024 -0.0001 0.0004 1183 HIS 78 HN -0.0011 0.0013 0.0011 1184 HIS 78 CA -0.0032 -0.0041 -0.0007 1185 HIS 78 HA -0.0039 -0.0056 -0.0012 1186 HIS 78 CB 0.0000 -0.0065 0.0003 1187 HIS 78 HB1 -0.0009 -0.0093 -0.0006 1188 HIS 78 HB2 0.0012 -0.0047 0.0010 1189 HIS 78 CD2 0.0064 -0.0063 0.0029 1190 HIS 78 HD2 0.0076 -0.0038 0.0038 1191 HIS 78 CG 0.0030 -0.0078 0.0013 1192 HIS 78 NE2 0.0083 -0.0086 0.0033 1193 HIS 78 HE2 0.0108 -0.0082 0.0044 1194 HIS 78 ND1 0.0029 -0.0111 0.0007 1195 HIS 78 HD1 0.0009 -0.0129 -0.0005 1196 HIS 78 CE1 0.0062 -0.0115 0.0019 1197 HIS 78 HE1 0.0068 -0.0138 0.0018 1198 HIS 78 C -0.0065 -0.0043 -0.0021 1199 HIS 78 O -0.0067 -0.0024 -0.0018 1200 HIS 79 N -0.0078 -0.0104 -0.0041 1201 HIS 79 HN -0.0072 -0.0121 -0.0037 1202 HIS 79 CA -0.0103 -0.0099 -0.0032 1203 HIS 79 HA -0.0106 -0.0082 -0.0037 1204 HIS 79 CB -0.0120 -0.0096 -0.0026 1205 HIS 79 HB1 -0.0138 -0.0095 -0.0019 1206 HIS 79 HB2 -0.0115 -0.0112 -0.0023 1207 HIS 79 CD2 -0.0112 -0.0071 -0.0038 1208 HIS 79 HD2 -0.0105 -0.0085 -0.0036 1209 HIS 79 CG -0.0118 -0.0074 -0.0035 1210 HIS 79 NE2 -0.0118 -0.0047 -0.0044 1211 HIS 79 HE2 -0.0115 -0.0039 -0.0047 1212 HIS 79 ND1 -0.0128 -0.0052 -0.0038 1213 HIS 79 HD1 -0.0134 -0.0048 -0.0037 1214 HIS 79 CE1 -0.0127 -0.0036 -0.0044 1215 HIS 79 HE1 -0.0133 -0.0017 -0.0048 1216 HIS 79 C -0.0111 -0.0119 -0.0022 1217 HIS 79 O -0.0110 -0.0140 -0.0015 1218 GLY 80 N -0.0298 0.0490 0.0160 1219 GLY 80 HN -0.0263 0.0706 0.0145 1220 GLY 80 CA -0.0334 0.0283 0.0176 1221 GLY 80 HA1 -0.0524 0.0179 0.0285 1222 GLY 80 HA2 -0.0307 0.0409 0.0163 1223 GLY 80 C -0.0135 0.0033 0.0051 1224 GLY 80 O 0.0098 0.0093 -0.0085 1225 GLY 81 N -0.0092 -0.0081 -0.0008 1226 GLY 81 HN -0.0169 -0.0098 -0.0003 1227 GLY 81 CA -0.0020 -0.0159 -0.0013 1228 GLY 81 HA1 -0.0058 -0.0236 -0.0011 1229 GLY 81 HA2 0.0056 -0.0159 -0.0018 1230 GLY 81 C 0.0004 -0.0139 -0.0014 1231 GLY 81 O 0.0074 -0.0188 -0.0019 1232 LYS 82 N -0.0004 -0.0008 0.0040 1233 LYS 82 HN -0.0002 -0.0007 0.0043 1234 LYS 82 CA 0.0011 -0.0036 0.0032 1235 LYS 82 HA 0.0015 -0.0033 0.0039 1236 LYS 82 CB 0.0037 -0.0053 0.0045 1237 LYS 82 HB1 0.0048 -0.0075 0.0039 1238 LYS 82 HB2 0.0032 -0.0056 0.0039 1239 LYS 82 CG 0.0053 -0.0038 0.0076 1240 LYS 82 HG1 0.0042 -0.0016 0.0083 1241 LYS 82 HG2 0.0059 -0.0037 0.0083 1242 LYS 82 CD 0.0077 -0.0053 0.0090 1243 LYS 82 HD1 0.0090 -0.0075 0.0085 1244 LYS 82 HD2 0.0071 -0.0055 0.0081 1245 LYS 82 CE 0.0092 -0.0036 0.0120 1246 LYS 82 HE1 0.0108 -0.0047 0.0128 1247 LYS 82 HE2 0.0079 -0.0014 0.0125 1248 LYS 82 NZ 0.0101 -0.0032 0.0134 1249 LYS 82 HZ1 0.0113 -0.0051 0.0129 1250 LYS 82 HZ2 0.0086 -0.0019 0.0128 1251 LYS 82 HZ3 0.0112 -0.0021 0.0155 1252 LYS 82 C -0.0003 -0.0054 0.0001 1253 LYS 82 O -0.0017 -0.0053 -0.0013 1254 VAL 83 N 0.0017 -0.0074 -0.0001 1255 VAL 83 HN 0.0010 -0.0076 -0.0008 1256 VAL 83 CA 0.0021 -0.0066 0.0010 1257 VAL 83 HA 0.0024 -0.0062 0.0017 1258 VAL 83 CB 0.0033 -0.0070 0.0012 1259 VAL 83 HB 0.0042 -0.0076 0.0010 1260 VAL 83 CG1 0.0028 -0.0075 0.0003 1261 VAL 83 HG11 0.0038 -0.0078 0.0004 1262 VAL 83 HG12 0.0025 -0.0081 -0.0006 1263 VAL 83 HG13 0.0020 -0.0069 0.0006 1264 VAL 83 CG2 0.0038 -0.0061 0.0025 1265 VAL 83 HG21 0.0048 -0.0064 0.0027 1266 VAL 83 HG22 0.0029 -0.0055 0.0028 1267 VAL 83 HG23 0.0040 -0.0057 0.0031 1268 VAL 83 C 0.0007 -0.0057 0.0014 1269 VAL 83 O -0.0002 -0.0059 0.0006 1270 SER 84 N -0.0027 -0.0018 0.0035 1271 SER 84 HN -0.0016 -0.0014 0.0043 1272 SER 84 CA -0.0045 -0.0013 0.0044 1273 SER 84 HA -0.0056 -0.0018 0.0034 1274 SER 84 CB -0.0054 -0.0006 0.0057 1275 SER 84 HB1 -0.0044 -0.0000 0.0068 1276 SER 84 HB2 -0.0057 -0.0010 0.0049 1277 SER 84 OG -0.0073 -0.0001 0.0064 1278 SER 84 HG1 -0.0079 0.0003 0.0071 1279 SER 84 C -0.0039 -0.0008 0.0053 1280 SER 84 O -0.0023 -0.0005 0.0061 1281 ILE 85 N -0.0049 -0.0012 0.0042 1282 ILE 85 HN -0.0061 -0.0014 0.0037 1283 ILE 85 CA -0.0045 -0.0010 0.0046 1284 ILE 85 HA -0.0031 -0.0008 0.0050 1285 ILE 85 CB -0.0050 -0.0017 0.0033 1286 ILE 85 HB -0.0065 -0.0018 0.0030 1287 ILE 85 CG2 -0.0043 -0.0015 0.0037 1288 ILE 85 HG21 -0.0046 -0.0021 0.0027 1289 ILE 85 HG22 -0.0051 -0.0009 0.0048 1290 ILE 85 HG23 -0.0028 -0.0014 0.0040 1291 ILE 85 CG1 -0.0042 -0.0027 0.0016 1292 ILE 85 HG11 -0.0046 -0.0032 0.0007 1293 ILE 85 HG12 -0.0048 -0.0029 0.0013 1294 ILE 85 CD -0.0021 -0.0028 0.0017 1295 ILE 85 HD1 -0.0016 -0.0034 0.0005 1296 ILE 85 HD2 -0.0014 -0.0027 0.0018 1297 ILE 85 HD3 -0.0016 -0.0022 0.0027 1298 ILE 85 C -0.0057 -0.0001 0.0060 1299 ILE 85 O -0.0074 -0.0001 0.0059 1300 LYS 86 N -0.0085 -0.0052 0.0058 1301 LYS 86 HN -0.0080 -0.0045 0.0054 1302 LYS 86 CA -0.0079 -0.0035 0.0052 1303 LYS 86 HA -0.0080 -0.0047 0.0055 1304 LYS 86 CB -0.0101 -0.0011 0.0051 1305 LYS 86 HB1 -0.0121 -0.0019 0.0059 1306 LYS 86 HB2 -0.0099 -0.0001 0.0047 1307 LYS 86 CG -0.0100 0.0011 0.0044 1308 LYS 86 HG1 -0.0080 0.0021 0.0036 1309 LYS 86 HG2 -0.0101 0.0002 0.0047 1310 LYS 86 CD -0.0124 0.0032 0.0045 1311 LYS 86 HD1 -0.0143 0.0022 0.0054 1312 LYS 86 HD2 -0.0124 0.0040 0.0043 1313 LYS 86 CE -0.0124 0.0056 0.0038 1314 LYS 86 HE1 -0.0107 0.0069 0.0030 1315 LYS 86 HE2 -0.0123 0.0049 0.0040 1316 LYS 86 NZ -0.0150 0.0073 0.0041 1317 LYS 86 HZ1 -0.0159 0.0070 0.0045 1318 LYS 86 HZ2 -0.0163 0.0067 0.0047 1319 LYS 86 HZ3 -0.0147 0.0093 0.0035 1320 LYS 86 C -0.0051 -0.0026 0.0040 1321 LYS 86 O -0.0038 -0.0027 0.0037 1322 GLY 87 N -0.0061 -0.0059 0.0013 1323 GLY 87 HN -0.0064 -0.0056 0.0011 1324 GLY 87 CA -0.0047 -0.0053 0.0010 1325 GLY 87 HA1 -0.0038 -0.0056 0.0013 1326 GLY 87 HA2 -0.0046 -0.0056 0.0012 1327 GLY 87 C -0.0047 -0.0040 -0.0000 1328 GLY 87 O -0.0059 -0.0035 -0.0005 1329 HIS 88 N 0.0015 -0.0103 -0.0049 1330 HIS 88 HN 0.0029 -0.0109 -0.0042 1331 HIS 88 CA 0.0013 -0.0062 -0.0027 1332 HIS 88 HA 0.0021 -0.0070 -0.0026 1333 HIS 88 CB 0.0044 -0.0041 0.0007 1334 HIS 88 HB1 0.0036 -0.0029 0.0008 1335 HIS 88 HB2 0.0073 -0.0066 0.0015 1336 HIS 88 CD2 0.0052 0.0034 0.0055 1337 HIS 88 HD2 0.0051 0.0049 0.0063 1338 HIS 88 CG 0.0050 -0.0006 0.0032 1339 HIS 88 NE2 0.0056 0.0054 0.0069 1340 HIS 88 HE2 0.0057 0.0084 0.0086 1341 HIS 88 ND1 0.0053 -0.0012 0.0030 1342 HIS 88 HD1 0.0052 -0.0038 0.0015 1343 HIS 88 CE1 0.0056 0.0025 0.0053 1344 HIS 88 HE1 0.0057 0.0032 0.0058 1345 HIS 88 C -0.0028 -0.0030 -0.0041 1346 HIS 88 O -0.0053 -0.0031 -0.0060 1347 HIS 89 N -0.0036 -0.0092 -0.0079 1348 HIS 89 HN -0.0001 -0.0107 -0.0039 1349 HIS 89 CA -0.0087 -0.0041 -0.0111 1350 HIS 89 HA -0.0076 -0.0024 -0.0077 1351 HIS 89 CB -0.0131 0.0033 -0.0109 1352 HIS 89 HB1 -0.0167 0.0071 -0.0129 1353 HIS 89 HB2 -0.0147 0.0022 -0.0146 1354 HIS 89 CD2 -0.0102 0.0095 -0.0004 1355 HIS 89 HD2 -0.0113 0.0084 -0.0031 1356 HIS 89 CG -0.0107 0.0074 -0.0032 1357 HIS 89 NE2 -0.0082 0.0136 0.0069 1358 HIS 89 HE2 -0.0075 0.0163 0.0106 1359 HIS 89 ND1 -0.0090 0.0100 0.0022 1360 HIS 89 HD1 -0.0088 0.0093 0.0018 1361 HIS 89 CE1 -0.0074 0.0137 0.0082 1362 HIS 89 HE1 -0.0059 0.0167 0.0135 1363 HIS 89 C -0.0112 -0.0080 -0.0189 1364 HIS 89 O -0.0158 -0.0045 -0.0228 1365 HIS 90 N -0.0116 -0.0072 -0.0105 1366 HIS 90 HN -0.0119 -0.0071 -0.0105 1367 HIS 90 CA -0.0130 -0.0069 -0.0091 1368 HIS 90 HA -0.0142 -0.0065 -0.0086 1369 HIS 90 CB -0.0140 -0.0064 -0.0103 1370 HIS 90 HB1 -0.0148 -0.0063 -0.0091 1371 HIS 90 HB2 -0.0128 -0.0067 -0.0112 1372 HIS 90 CD2 -0.0154 -0.0056 -0.0138 1373 HIS 90 HD2 -0.0139 -0.0060 -0.0146 1374 HIS 90 CG -0.0156 -0.0057 -0.0119 1375 HIS 90 NE2 -0.0173 -0.0049 -0.0146 1376 HIS 90 HE2 -0.0176 -0.0046 -0.0160 1377 HIS 90 ND1 -0.0178 -0.0050 -0.0116 1378 HIS 90 HD1 -0.0185 -0.0049 -0.0105 1379 HIS 90 CE1 -0.0187 -0.0045 -0.0133 1380 HIS 90 HE1 -0.0204 -0.0039 -0.0136 1381 HIS 90 C -0.0120 -0.0074 -0.0069 1382 HIS 90 O -0.0129 -0.0073 -0.0057 1383 HIS 91 N -0.0147 -0.0083 -0.0049 1384 HIS 91 HN -0.0148 -0.0085 -0.0053 1385 HIS 91 CA -0.0130 -0.0074 -0.0032 1386 HIS 91 HA -0.0122 -0.0076 -0.0036 1387 HIS 91 CB -0.0109 -0.0073 -0.0031 1388 HIS 91 HB1 -0.0096 -0.0066 -0.0019 1389 HIS 91 HB2 -0.0116 -0.0071 -0.0026 1390 HIS 91 CD2 -0.0091 -0.0087 -0.0066 1391 HIS 91 HD2 -0.0096 -0.0086 -0.0064 1392 HIS 91 CG -0.0096 -0.0082 -0.0053 1393 HIS 91 NE2 -0.0080 -0.0095 -0.0085 1394 HIS 91 HE2 -0.0075 -0.0101 -0.0099 1395 HIS 91 ND1 -0.0088 -0.0085 -0.0063 1396 HIS 91 HD1 -0.0089 -0.0083 -0.0056 1397 HIS 91 CE1 -0.0079 -0.0094 -0.0082 1398 HIS 91 HE1 -0.0071 -0.0099 -0.0095 1399 HIS 91 C -0.0141 -0.0065 -0.0009 1400 HIS 91 O -0.0159 -0.0063 -0.0003 1401 TYR 92 N -0.0117 -0.0032 0.0054 1402 TYR 92 HN -0.0113 -0.0039 0.0060 1403 TYR 92 CA -0.0120 -0.0025 0.0062 1404 TYR 92 HA -0.0125 -0.0016 0.0055 1405 TYR 92 CB -0.0123 -0.0019 0.0078 1406 TYR 92 HB1 -0.0125 -0.0015 0.0085 1407 TYR 92 HB2 -0.0119 -0.0027 0.0084 1408 TYR 92 CG -0.0130 -0.0007 0.0075 1409 TYR 92 CD1 -0.0128 -0.0009 0.0072 1410 TYR 92 HD1 -0.0123 -0.0020 0.0070 1411 TYR 92 CE1 -0.0134 0.0002 0.0069 1412 TYR 92 HE1 -0.0133 0.0000 0.0066 1413 TYR 92 CZ -0.0142 0.0016 0.0071 1414 TYR 92 OH -0.0148 0.0027 0.0068 1415 TYR 92 HH -0.0152 0.0036 0.0068 1416 TYR 92 CD2 -0.0137 0.0007 0.0077 1417 TYR 92 HD2 -0.0138 0.0009 0.0080 1418 TYR 92 CE2 -0.0143 0.0018 0.0075 1419 TYR 92 HE2 -0.0148 0.0029 0.0076 1420 TYR 92 C -0.0116 -0.0034 0.0065 1421 TYR 92 O -0.0109 -0.0046 0.0070 1422 ILE 93 N -0.0079 0.0006 0.0026 1423 ILE 93 HN -0.0073 0.0009 0.0025 1424 ILE 93 CA -0.0084 0.0004 0.0016 1425 ILE 93 HA -0.0091 0.0000 0.0017 1426 ILE 93 CB -0.0080 0.0006 0.0008 1427 ILE 93 HB -0.0073 0.0009 0.0007 1428 ILE 93 CG2 -0.0078 0.0007 0.0012 1429 ILE 93 HG21 -0.0075 0.0008 0.0007 1430 ILE 93 HG22 -0.0085 0.0003 0.0015 1431 ILE 93 HG23 -0.0074 0.0009 0.0019 1432 ILE 93 CG1 -0.0085 0.0003 -0.0002 1433 ILE 93 HG11 -0.0091 0.0000 -0.0001 1434 ILE 93 HG12 -0.0087 0.0002 -0.0004 1435 ILE 93 CD -0.0079 0.0006 -0.0011 1436 ILE 93 HD1 -0.0073 0.0009 -0.0012 1437 ILE 93 HD2 -0.0083 0.0004 -0.0018 1438 ILE 93 HD3 -0.0077 0.0007 -0.0009 1439 ILE 93 C -0.0085 0.0003 0.0013 1440 ILE 93 O -0.0079 0.0006 0.0011 1441 SER 94 N -0.0070 0.0003 0.0002 1442 SER 94 HN -0.0081 -0.0006 -0.0001 1443 SER 94 CA -0.0068 0.0003 0.0007 1444 SER 94 HA -0.0055 0.0012 0.0011 1445 SER 94 CB -0.0075 -0.0011 0.0024 1446 SER 94 HB1 -0.0088 -0.0020 0.0019 1447 SER 94 HB2 -0.0070 -0.0012 0.0035 1448 SER 94 OG -0.0069 -0.0010 0.0032 1449 SER 94 HG1 -0.0075 -0.0011 0.0023 1450 SER 94 C -0.0076 0.0003 -0.0010 1451 SER 94 O -0.0089 -0.0005 -0.0020 1452 ALA 95 N -0.0051 -0.0004 -0.0077 1453 ALA 95 HN -0.0043 -0.0008 -0.0079 1454 ALA 95 CA -0.0054 0.0009 -0.0081 1455 ALA 95 HA -0.0064 0.0012 -0.0078 1456 ALA 95 CB -0.0052 0.0014 -0.0084 1457 ALA 95 HB1 -0.0042 0.0011 -0.0087 1458 ALA 95 HB2 -0.0054 0.0024 -0.0087 1459 ALA 95 HB3 -0.0058 0.0010 -0.0080 1460 ALA 95 C -0.0046 0.0015 -0.0087 1461 ALA 95 O -0.0035 0.0012 -0.0090 1462 ASP 96 N 0.0032 0.0027 -0.0113 1463 ASP 96 HN 0.0026 0.0035 -0.0099 1464 ASP 96 CA 0.0056 0.0047 -0.0122 1465 ASP 96 HA 0.0066 0.0037 -0.0144 1466 ASP 96 CB 0.0071 0.0071 -0.0117 1467 ASP 96 HB1 0.0090 0.0087 -0.0123 1468 ASP 96 HB2 0.0061 0.0080 -0.0094 1469 ASP 96 CG 0.0075 0.0060 -0.0132 1470 ASP 96 OD1 0.0084 0.0077 -0.0126 1471 ASP 96 OD2 0.0070 0.0036 -0.0151 1472 ASP 96 C 0.0053 0.0058 -0.0107 1473 ASP 96 O 0.0032 0.0053 -0.0087 1474 HIS 97 N 0.0141 0.0070 -0.0151 1475 HIS 97 HN 0.0187 0.0062 -0.0180 1476 HIS 97 CA 0.0134 0.0110 -0.0090 1477 HIS 97 HA 0.0083 0.0102 -0.0083 1478 HIS 97 CB 0.0197 0.0131 -0.0081 1479 HIS 97 HB1 0.0188 0.0160 -0.0034 1480 HIS 97 HB2 0.0251 0.0140 -0.0087 1481 HIS 97 CD2 0.0164 0.0092 -0.0127 1482 HIS 97 HD2 0.0120 0.0104 -0.0093 1483 HIS 97 CG 0.0202 0.0100 -0.0128 1484 HIS 97 NE2 0.0191 0.0062 -0.0181 1485 HIS 97 HE2 0.0168 0.0045 -0.0199 1486 HIS 97 ND1 0.0253 0.0078 -0.0180 1487 HIS 97 HD1 0.0289 0.0079 -0.0192 1488 HIS 97 CE1 0.0245 0.0056 -0.0210 1489 HIS 97 HE1 0.0276 0.0033 -0.0255 1490 HIS 97 C 0.0131 0.0144 -0.0037 1491 HIS 97 O 0.0102 0.0173 0.0016 1492 HIS 98 N 0.0156 0.0117 -0.0106 1493 HIS 98 HN 0.0204 0.0105 -0.0228 1494 HIS 98 CA 0.0273 0.0056 -0.0064 1495 HIS 98 HA 0.0178 0.0099 -0.0024 1496 HIS 98 CB 0.0410 -0.0029 0.0120 1497 HIS 98 HB1 0.0507 -0.0072 0.0082 1498 HIS 98 HB2 0.0323 0.0000 0.0267 1499 HIS 98 CD2 0.0726 -0.0189 0.0180 1500 HIS 98 HD2 0.0840 -0.0242 0.0155 1501 HIS 98 CG 0.0533 -0.0093 0.0170 1502 HIS 98 NE2 0.0756 -0.0209 0.0232 1503 HIS 98 HE2 0.0884 -0.0273 0.0255 1504 HIS 98 ND1 0.0442 -0.0053 0.0212 1505 HIS 98 HD1 0.0300 0.0016 0.0213 1506 HIS 98 CE1 0.0581 -0.0125 0.0249 1507 HIS 98 HE1 0.0558 -0.0117 0.0292 1508 HIS 98 C 0.0391 0.0017 -0.0262 1509 HIS 98 O 0.0431 0.0011 -0.0403 1510 GLY 99 N 0.0217 0.0008 -0.0064 1511 GLY 99 HN 0.0202 0.0028 -0.0018 1512 GLY 99 CA 0.0220 -0.0007 -0.0096 1513 GLY 99 HA1 0.0268 -0.0016 -0.0124 1514 GLY 99 HA2 0.0217 0.0010 -0.0060 1515 GLY 99 C 0.0161 -0.0035 -0.0140 1516 GLY 99 O 0.0108 -0.0041 -0.0139 1517 HIS 100 N 0.0016 -0.0032 -0.0042 1518 HIS 100 HN 0.0025 -0.0035 -0.0042 1519 HIS 100 CA 0.0013 -0.0026 -0.0053 1520 HIS 100 HA 0.0011 -0.0027 -0.0050 1521 HIS 100 CB 0.0026 -0.0025 -0.0062 1522 HIS 100 HB1 0.0024 -0.0020 -0.0071 1523 HIS 100 HB2 0.0029 -0.0024 -0.0065 1524 HIS 100 CD2 0.0038 -0.0033 -0.0053 1525 HIS 100 HD2 0.0031 -0.0032 -0.0051 1526 HIS 100 CG 0.0037 -0.0030 -0.0058 1527 HIS 100 NE2 0.0052 -0.0037 -0.0052 1528 HIS 100 HE2 0.0056 -0.0040 -0.0049 1529 HIS 100 ND1 0.0049 -0.0033 -0.0060 1530 HIS 100 HD1 0.0051 -0.0031 -0.0063 1531 HIS 100 CE1 0.0058 -0.0037 -0.0056 1532 HIS 100 HE1 0.0068 -0.0040 -0.0056 1533 HIS 100 C 0.0002 -0.0019 -0.0060 1534 HIS 100 O 0.0002 -0.0018 -0.0063 1535 VAL 101 N -0.0042 0.0010 -0.0057 1536 VAL 101 HN -0.0042 0.0010 -0.0055 1537 VAL 101 CA -0.0044 0.0010 -0.0060 1538 VAL 101 HA -0.0045 0.0010 -0.0061 1539 VAL 101 CB -0.0046 0.0008 -0.0059 1540 VAL 101 HB -0.0045 0.0009 -0.0057 1541 VAL 101 CG1 -0.0049 0.0008 -0.0061 1542 VAL 101 HG11 -0.0048 0.0009 -0.0063 1543 VAL 101 HG12 -0.0050 0.0008 -0.0062 1544 VAL 101 HG13 -0.0050 0.0007 -0.0060 1545 VAL 101 CG2 -0.0048 0.0007 -0.0056 1546 VAL 101 HG21 -0.0049 0.0007 -0.0057 1547 VAL 101 HG22 -0.0046 0.0007 -0.0054 1548 VAL 101 HG23 -0.0050 0.0006 -0.0055 1549 VAL 101 C -0.0043 0.0011 -0.0062 1550 VAL 101 O -0.0040 0.0012 -0.0062 1551 SER 102 N -0.0060 0.0024 -0.0005 1552 SER 102 HN -0.0060 0.0022 -0.0008 1553 SER 102 CA -0.0059 0.0025 -0.0006 1554 SER 102 HA -0.0060 0.0026 -0.0003 1555 SER 102 CB -0.0057 0.0028 -0.0010 1556 SER 102 HB1 -0.0057 0.0031 -0.0009 1557 SER 102 HB2 -0.0057 0.0029 -0.0010 1558 SER 102 OG -0.0057 0.0027 -0.0014 1559 SER 102 HG1 -0.0056 0.0028 -0.0014 1560 SER 102 C -0.0060 0.0020 -0.0008 1561 SER 102 O -0.0061 0.0017 -0.0007 1562 THR 103 N -0.0065 0.0013 0.0023 1563 THR 103 HN -0.0057 0.0012 0.0022 1564 THR 103 CA -0.0070 0.0008 0.0015 1565 THR 103 HA -0.0076 0.0009 0.0018 1566 THR 103 CB -0.0075 0.0005 0.0010 1567 THR 103 HB -0.0081 0.0007 0.0014 1568 THR 103 OG1 -0.0082 0.0001 0.0002 1569 THR 103 HG1 -0.0086 -0.0000 0.0000 1570 THR 103 CG2 -0.0067 0.0003 0.0005 1571 THR 103 HG21 -0.0072 0.0001 0.0002 1572 THR 103 HG22 -0.0063 0.0006 0.0010 1573 THR 103 HG23 -0.0063 0.0000 0.0000 1574 THR 103 C -0.0063 0.0005 0.0009 1575 THR 103 O -0.0053 0.0005 0.0009 1576 LYS 104 N -0.0049 -0.0043 0.0060 1577 LYS 104 HN -0.0063 -0.0025 0.0057 1578 LYS 104 CA -0.0051 -0.0044 0.0068 1579 LYS 104 HA -0.0035 -0.0057 0.0054 1580 LYS 104 CB -0.0055 -0.0056 0.0105 1581 LYS 104 HB1 -0.0041 -0.0076 0.0112 1582 LYS 104 HB2 -0.0054 -0.0059 0.0109 1583 LYS 104 CG -0.0078 -0.0039 0.0130 1584 LYS 104 HG1 -0.0092 -0.0021 0.0128 1585 LYS 104 HG2 -0.0081 -0.0033 0.0124 1586 LYS 104 CD -0.0078 -0.0056 0.0167 1587 LYS 104 HD1 -0.0065 -0.0073 0.0170 1588 LYS 104 HD2 -0.0073 -0.0064 0.0171 1589 LYS 104 CE -0.0102 -0.0038 0.0192 1590 LYS 104 HE1 -0.0114 -0.0021 0.0188 1591 LYS 104 HE2 -0.0107 -0.0030 0.0189 1592 LYS 104 NZ -0.0102 -0.0053 0.0227 1593 LYS 104 HZ1 -0.0119 -0.0039 0.0241 1594 LYS 104 HZ2 -0.0092 -0.0068 0.0230 1595 LYS 104 HZ3 -0.0099 -0.0062 0.0239 1596 LYS 104 C -0.0069 -0.0016 0.0055 1597 LYS 104 O -0.0084 0.0005 0.0049 1598 GLU 105 N 0.0104 -0.0126 0.0139 1599 GLU 105 HN 0.0240 -0.0154 0.0136 1600 GLU 105 CA -0.0015 -0.0118 -0.0004 1601 GLU 105 HA -0.0130 -0.0100 -0.0049 1602 GLU 105 CB 0.0097 -0.0162 -0.0185 1603 GLU 105 HB1 0.0216 -0.0182 -0.0143 1604 GLU 105 HB2 0.0160 -0.0183 -0.0246 1605 GLU 105 CG -0.0028 -0.0155 -0.0343 1606 GLU 105 HG1 -0.0150 -0.0135 -0.0383 1607 GLU 105 HG2 -0.0084 -0.0138 -0.0295 1608 GLU 105 CD 0.0084 -0.0199 -0.0526 1609 GLU 105 OE1 0.0075 -0.0213 -0.0658 1610 GLU 105 OE2 0.0177 -0.0220 -0.0535 1611 GLU 105 C -0.0102 -0.0090 0.0089 1612 GLU 105 O -0.0004 -0.0098 0.0192 1613 HIS 106 N -0.0095 -0.0080 0.0029 1614 HIS 106 HN -0.0133 -0.0048 -0.0080 1615 HIS 106 CA -0.0202 -0.0012 0.0144 1616 HIS 106 HA -0.0291 0.0055 0.0059 1617 HIS 106 CB -0.0160 -0.0044 0.0218 1618 HIS 106 HB1 -0.0254 0.0017 0.0293 1619 HIS 106 HB2 -0.0070 -0.0112 0.0309 1620 HIS 106 CD2 0.0007 -0.0150 0.0032 1621 HIS 106 HD2 0.0110 -0.0225 0.0098 1622 HIS 106 CG -0.0121 -0.0064 0.0072 1623 HIS 106 NE2 -0.0013 -0.0128 -0.0122 1624 HIS 106 HE2 0.0066 -0.0179 -0.0203 1625 HIS 106 ND1 -0.0224 0.0014 -0.0050 1626 HIS 106 HD1 -0.0326 0.0085 -0.0053 1627 HIS 106 CE1 -0.0154 -0.0029 -0.0166 1628 HIS 106 HE1 -0.0200 0.0010 -0.0285 1629 HIS 106 C -0.0268 0.0027 0.0292 1630 HIS 106 O -0.0196 -0.0028 0.0379 1631 HIS 107 N -0.0157 -0.0007 0.0232 1632 HIS 107 HN -0.0141 -0.0006 0.0258 1633 HIS 107 CA -0.0133 -0.0003 0.0193 1634 HIS 107 HA -0.0140 -0.0004 0.0175 1635 HIS 107 CB -0.0085 0.0002 0.0203 1636 HIS 107 HB1 -0.0078 0.0002 0.0227 1637 HIS 107 HB2 -0.0076 0.0003 0.0216 1638 HIS 107 CD2 -0.0040 0.0009 0.0154 1639 HIS 107 HD2 -0.0040 0.0008 0.0169 1640 HIS 107 CG -0.0058 0.0006 0.0165 1641 HIS 107 NE2 -0.0021 0.0012 0.0116 1642 HIS 107 HE2 -0.0007 0.0014 0.0097 1643 HIS 107 ND1 -0.0051 0.0008 0.0136 1644 HIS 107 HD1 -0.0060 0.0007 0.0136 1645 HIS 107 CE1 -0.0028 0.0011 0.0107 1646 HIS 107 HE1 -0.0018 0.0013 0.0077 1647 HIS 107 C -0.0143 -0.0004 0.0167 1648 HIS 107 O -0.0150 -0.0005 0.0184 1649 ASP 108 N -0.0077 0.0021 0.0216 1650 ASP 108 HN -0.0074 0.0026 0.0193 1651 ASP 108 CA -0.0083 0.0016 0.0210 1652 ASP 108 HA -0.0073 0.0021 0.0234 1653 ASP 108 CB -0.0118 -0.0011 0.0208 1654 ASP 108 HB1 -0.0128 -0.0016 0.0181 1655 ASP 108 HB2 -0.0127 -0.0021 0.0232 1656 ASP 108 CG -0.0130 -0.0021 0.0212 1657 ASP 108 OD1 -0.0112 -0.0007 0.0212 1658 ASP 108 OD2 -0.0158 -0.0043 0.0214 1659 ASP 108 C -0.0069 0.0031 0.0174 1660 ASP 108 O -0.0060 0.0042 0.0151 1661 HIS 109 N 0.0009 0.0007 0.0111 1662 HIS 109 HN 0.0007 0.0008 0.0109 1663 HIS 109 CA 0.0021 0.0050 0.0044 1664 HIS 109 HA 0.0047 0.0036 0.0054 1665 HIS 109 CB 0.0083 0.0073 -0.0014 1666 HIS 109 HB1 0.0077 0.0111 -0.0067 1667 HIS 109 HB2 0.0070 0.0076 -0.0013 1668 HIS 109 CD2 0.0232 0.0014 0.0013 1669 HIS 109 HD2 0.0231 0.0010 0.0019 1670 HIS 109 CG 0.0171 0.0040 -0.0001 1671 HIS 109 NE2 0.0302 -0.0011 0.0020 1672 HIS 109 HE2 0.0356 -0.0032 0.0031 1673 HIS 109 ND1 0.0204 0.0032 -0.0002 1674 HIS 109 HD1 0.0173 0.0045 -0.0009 1675 HIS 109 CE1 0.0282 0.0001 0.0012 1676 HIS 109 HE1 0.0324 -0.0013 0.0016 1677 HIS 109 C -0.0061 0.0090 0.0018 1678 HIS 109 O -0.0065 0.0117 -0.0020 1679 ASP 110 N -0.0015 0.0037 0.0021 1680 ASP 110 HN -0.0009 0.0026 0.0030 1681 ASP 110 CA -0.0038 0.0038 0.0012 1682 ASP 110 HA -0.0038 0.0052 0.0003 1683 ASP 110 CB -0.0047 0.0021 0.0019 1684 ASP 110 HB1 -0.0065 0.0021 0.0013 1685 ASP 110 HB2 -0.0045 0.0007 0.0029 1686 ASP 110 CG -0.0038 0.0023 0.0021 1687 ASP 110 OD1 -0.0025 0.0038 0.0016 1688 ASP 110 OD2 -0.0045 0.0008 0.0028 1689 ASP 110 C -0.0054 0.0035 0.0008 1690 ASP 110 O -0.0071 0.0041 -0.0002 1691 THR 111 N -0.0089 0.0009 0.0053 1692 THR 111 HN -0.0081 0.0010 0.0065 1693 THR 111 CA -0.0087 0.0010 0.0052 1694 THR 111 HA -0.0098 0.0008 0.0040 1695 THR 111 CB -0.0090 0.0003 0.0073 1696 THR 111 HB -0.0092 0.0003 0.0069 1697 THR 111 OG1 -0.0073 0.0007 0.0089 1698 THR 111 HG1 -0.0063 0.0013 0.0084 1699 THR 111 CG2 -0.0108 -0.0008 0.0081 1700 THR 111 HG21 -0.0107 -0.0008 0.0085 1701 THR 111 HG22 -0.0110 -0.0013 0.0096 1702 THR 111 HG23 -0.0121 -0.0011 0.0070 1703 THR 111 C -0.0067 0.0021 0.0045 1704 THR 111 O -0.0062 0.0024 0.0046 1705 THR 112 N -0.0046 0.0008 0.0040 1706 THR 112 HN -0.0055 0.0013 0.0027 1707 THR 112 CA -0.0019 0.0001 0.0033 1708 THR 112 HA -0.0012 -0.0004 0.0046 1709 THR 112 CB 0.0002 -0.0004 0.0033 1710 THR 112 HB -0.0003 0.0001 0.0017 1711 THR 112 OG1 0.0002 -0.0011 0.0059 1712 THR 112 HG1 -0.0016 -0.0007 0.0062 1713 THR 112 CG2 0.0031 -0.0011 0.0026 1714 THR 112 HG21 0.0036 -0.0016 0.0040 1715 THR 112 HG22 0.0045 -0.0016 0.0028 1716 THR 112 HG23 0.0034 -0.0007 0.0005 1717 THR 112 C -0.0017 0.0008 0.0004 1718 THR 112 O -0.0028 0.0016 -0.0014 1719 PHE 113 N 0.0013 -0.0018 -0.0037 1720 PHE 113 HN 0.0018 -0.0026 -0.0025 1721 PHE 113 CA 0.0011 -0.0010 -0.0051 1722 PHE 113 HA 0.0007 -0.0003 -0.0064 1723 PHE 113 CB -0.0005 -0.0005 -0.0042 1724 PHE 113 HB1 -0.0008 0.0002 -0.0053 1725 PHE 113 HB2 0.0000 -0.0013 -0.0030 1726 PHE 113 CG -0.0022 0.0001 -0.0032 1727 PHE 113 CD1 -0.0030 -0.0002 -0.0012 1728 PHE 113 HD1 -0.0024 -0.0010 -0.0004 1729 PHE 113 CE1 -0.0046 0.0003 -0.0002 1730 PHE 113 HE1 -0.0052 0.0000 0.0013 1731 PHE 113 CZ -0.0054 0.0013 -0.0013 1732 PHE 113 HZ -0.0066 0.0017 -0.0005 1733 PHE 113 CD2 -0.0030 0.0011 -0.0042 1734 PHE 113 HD2 -0.0024 0.0013 -0.0057 1735 PHE 113 CE2 -0.0046 0.0016 -0.0032 1736 PHE 113 HE2 -0.0052 0.0023 -0.0040 1737 PHE 113 C 0.0028 -0.0018 -0.0058 1738 PHE 113 O 0.0041 -0.0030 -0.0049 1739 GLU 114 N 0.0046 -0.0060 -0.0072 1740 GLU 114 HN 0.0031 -0.0051 -0.0083 1741 GLU 114 CA 0.0072 -0.0075 -0.0083 1742 GLU 114 HA 0.0086 -0.0083 -0.0065 1743 GLU 114 CB 0.0079 -0.0079 -0.0110 1744 GLU 114 HB1 0.0098 -0.0090 -0.0118 1745 GLU 114 HB2 0.0065 -0.0071 -0.0128 1746 GLU 114 CG 0.0079 -0.0079 -0.0104 1747 GLU 114 HG1 0.0060 -0.0068 -0.0099 1748 GLU 114 HG2 0.0091 -0.0086 -0.0084 1749 GLU 114 CD 0.0090 -0.0085 -0.0129 1750 GLU 114 OE1 0.0095 -0.0088 -0.0125 1751 GLU 114 OE2 0.0092 -0.0087 -0.0154 1752 GLU 114 C 0.0072 -0.0075 -0.0091 1753 GLU 114 O 0.0052 -0.0063 -0.0096 1754 GLU 115 N 0.0112 -0.0119 -0.0146 1755 GLU 115 HN 0.0113 -0.0142 -0.0153 1756 GLU 115 CA 0.0095 -0.0105 -0.0124 1757 GLU 115 HA 0.0082 -0.0099 -0.0108 1758 GLU 115 CB 0.0082 -0.0132 -0.0117 1759 GLU 115 HB1 0.0071 -0.0121 -0.0102 1760 GLU 115 HB2 0.0095 -0.0142 -0.0134 1761 GLU 115 CG 0.0065 -0.0161 -0.0107 1762 GLU 115 HG1 0.0075 -0.0173 -0.0121 1763 GLU 115 HG2 0.0051 -0.0151 -0.0089 1764 GLU 115 CD 0.0054 -0.0188 -0.0102 1765 GLU 115 OE1 0.0044 -0.0179 -0.0089 1766 GLU 115 OE2 0.0054 -0.0218 -0.0111 1767 GLU 115 C 0.0104 -0.0073 -0.0124 1768 GLU 115 O 0.0125 -0.0065 -0.0145 1769 ILE 116 N 0.0112 -0.0047 -0.0044 1770 ILE 116 HN 0.0100 -0.0052 -0.0028 1771 ILE 116 CA 0.0114 -0.0024 -0.0044 1772 ILE 116 HA 0.0126 -0.0019 -0.0061 1773 ILE 116 CB 0.0106 0.0001 -0.0032 1774 ILE 116 HB 0.0093 -0.0005 -0.0015 1775 ILE 116 CG2 0.0115 0.0011 -0.0044 1776 ILE 116 HG21 0.0116 -0.0006 -0.0047 1777 ILE 116 HG22 0.0109 0.0028 -0.0035 1778 ILE 116 HG23 0.0128 0.0019 -0.0061 1779 ILE 116 CG1 0.0105 0.0025 -0.0029 1780 ILE 116 HG11 0.0118 0.0031 -0.0046 1781 ILE 116 HG12 0.0099 0.0017 -0.0021 1782 ILE 116 CD 0.0096 0.0050 -0.0016 1783 ILE 116 HD1 0.0084 0.0044 0.0001 1784 ILE 116 HD2 0.0096 0.0066 -0.0014 1785 ILE 116 HD3 0.0103 0.0059 -0.0024 1786 ILE 116 C 0.0106 -0.0034 -0.0035 1787 ILE 116 O 0.0093 -0.0046 -0.0018 1788 ILE 117 N 0.0195 -0.0056 0.0051 1789 ILE 117 HN 0.0333 -0.0061 0.0139 1790 ILE 117 CA -0.0036 0.0051 0.0159 1791 ILE 117 HA -0.0185 0.0039 0.0021 1792 ILE 117 CB -0.0076 0.0108 0.0277 1793 ILE 117 HB 0.0092 0.0109 0.0399 1794 ILE 117 CG2 -0.0297 0.0231 0.0433 1795 ILE 117 HG21 -0.0328 0.0268 0.0506 1796 ILE 117 HG22 -0.0260 0.0280 0.0586 1797 ILE 117 HG23 -0.0467 0.0237 0.0324 1798 ILE 117 CG1 -0.0121 0.0046 0.0085 1799 ILE 117 HG11 -0.0214 0.0008 -0.0082 1800 ILE 117 HG12 -0.0249 0.0108 0.0152 1801 ILE 117 CD 0.0114 -0.0041 0.0030 1802 ILE 117 HD1 0.0246 -0.0109 -0.0049 1803 ILE 117 HD2 0.0205 -0.0002 0.0196 1804 ILE 117 HD3 0.0063 -0.0077 -0.0098 1805 ILE 117 C -0.0048 0.0122 0.0331 1806 ILE 117 O 0.0130 0.0126 0.0473 1807 ILE 118 N -0.0044 0.0112 0.0165 1808 ILE 118 HN -0.0034 0.0249 0.0141 1809 ILE 118 CA 0.0015 -0.0144 0.0104 1810 ILE 118 HA 0.0039 -0.0149 0.0073 1811 ILE 118 CB 0.0160 0.0059 -0.0105 1812 ILE 118 HB 0.0170 0.0205 -0.0129 1813 ILE 118 CG2 0.0257 -0.0068 -0.0224 1814 ILE 118 HG21 0.0339 -0.0026 -0.0337 1815 ILE 118 HG22 0.0257 -0.0057 -0.0226 1816 ILE 118 HG23 0.0247 -0.0217 -0.0200 1817 ILE 118 CG1 0.0171 0.0069 -0.0120 1818 ILE 118 HG11 0.0256 0.0114 -0.0237 1819 ILE 118 HG12 0.0111 0.0180 -0.0048 1820 ILE 118 CD 0.0151 -0.0113 -0.0080 1821 ILE 118 HD1 0.0159 -0.0093 -0.0092 1822 ILE 118 HD2 0.0214 -0.0228 -0.0155 1823 ILE 118 HD3 0.0066 -0.0160 0.0038 1824 ILE 118 C 0.0033 0.0018 0.0069 1825 ILE 118 OT1 0.0021 0.0173 0.0073 1826 ILE 118 OT2 -0.0056 0.0133 0.0179