1 GLY 2 N 0.0066 0.0126 -0.0078 2 GLY 2 HN 0.0087 0.0128 -0.0075 3 GLY 2 CA 0.0056 0.0156 -0.0090 4 GLY 2 HA1 0.0079 0.0172 -0.0091 5 GLY 2 HA2 0.0042 0.0148 -0.0090 6 GLY 2 C 0.0032 0.0175 -0.0101 7 GLY 2 O 0.0005 0.0186 -0.0110 8 GLY 2 C1 0.0048 0.0097 -0.0072 9 GLY 2 O1 0.0021 0.0094 -0.0076 10 GLY 2 C2 0.0059 0.0068 -0.0060 11 GLY 2 H2A 0.0075 0.0052 -0.0051 12 GLY 2 H2B 0.0076 0.0077 -0.0060 13 GLY 2 C3 0.0027 0.0048 -0.0059 14 GLY 2 H3A 0.0010 0.0039 -0.0060 15 GLY 2 H3B 0.0012 0.0065 -0.0068 16 GLY 2 C4 0.0036 0.0017 -0.0047 17 GLY 2 H4A 0.0053 0.0026 -0.0047 18 GLY 2 H4B 0.0051 0.0001 -0.0038 19 GLY 2 C5 0.0004 -0.0002 -0.0047 20 GLY 2 H5A -0.0004 -0.0023 -0.0041 21 GLY 2 H5B -0.0018 0.0015 -0.0057 22 GLY 2 C6 0.0007 -0.0015 -0.0042 23 GLY 2 H6A 0.0022 -0.0038 -0.0031 24 GLY 2 H6B 0.0021 0.0005 -0.0046 25 GLY 2 C7 -0.0029 -0.0023 -0.0046 26 GLY 2 H7A -0.0043 -0.0043 -0.0042 27 GLY 2 H7B -0.0044 -0.0000 -0.0057 28 GLY 2 C8 -0.0028 -0.0033 -0.0043 29 GLY 2 H8A -0.0055 -0.0038 -0.0046 30 GLY 2 H8B -0.0014 -0.0056 -0.0032 31 GLY 2 C9 -0.0010 -0.0006 -0.0048 32 GLY 2 H9A 0.0016 0.0001 -0.0045 33 GLY 2 H9B -0.0025 0.0017 -0.0059 34 GLY 2 C10 -0.0008 -0.0016 -0.0045 35 GLY 2 H10A 0.0005 0.0006 -0.0049 36 GLY 2 H10B 0.0009 -0.0037 -0.0034 37 GLY 2 C11 -0.0043 -0.0025 -0.0048 38 GLY 2 H11A -0.0054 -0.0049 -0.0042 39 GLY 2 H11B -0.0061 -0.0005 -0.0059 40 GLY 2 C12 -0.0039 -0.0029 -0.0046 41 GLY 2 H12A -0.0028 -0.0005 -0.0052 42 GLY 2 H12B -0.0021 -0.0048 -0.0036 43 GLY 2 C13 -0.0074 -0.0037 -0.0050 44 GLY 2 H13A -0.0084 -0.0062 -0.0044 45 GLY 2 H13B -0.0093 -0.0018 -0.0060 46 GLY 2 C14 -0.0071 -0.0036 -0.0050 47 GLY 2 H14A -0.0051 -0.0052 -0.0040 48 GLY 2 H14B -0.0096 -0.0045 -0.0052 49 GLY 2 H14C -0.0064 -0.0010 -0.0057 50 ASN 3 N -0.0015 0.0075 -0.0075 51 ASN 3 HN -0.0003 0.0070 -0.0054 52 ASN 3 CA -0.0025 0.0062 -0.0088 53 ASN 3 HA -0.0033 0.0078 -0.0106 54 ASN 3 CB -0.0014 0.0060 -0.0069 55 ASN 3 HB1 -0.0022 0.0050 -0.0079 56 ASN 3 HB2 -0.0006 0.0044 -0.0049 57 ASN 3 CG -0.0003 0.0092 -0.0062 58 ASN 3 OD1 -0.0009 0.0109 -0.0078 59 ASN 3 ND2 0.0013 0.0102 -0.0038 60 ASN 3 HD21 0.0020 0.0124 -0.0034 61 ASN 3 HD22 0.0017 0.0090 -0.0028 62 ASN 3 C -0.0038 0.0030 -0.0098 63 ASN 3 O -0.0039 0.0015 -0.0094 64 ARG 4 N -0.0055 0.0050 0.0033 65 ARG 4 HN -0.0054 0.0041 0.0036 66 ARG 4 CA -0.0042 -0.0011 -0.0019 67 ARG 4 HA -0.0042 0.0012 -0.0027 68 ARG 4 CB -0.0027 -0.0021 -0.0108 69 ARG 4 HB1 -0.0017 -0.0058 -0.0149 70 ARG 4 HB2 -0.0025 -0.0058 -0.0101 71 ARG 4 CG -0.0026 0.0064 -0.0156 72 ARG 4 HG1 -0.0014 0.0046 -0.0219 73 ARG 4 HG2 -0.0034 0.0098 -0.0120 74 ARG 4 CD -0.0028 0.0125 -0.0170 75 ARG 4 HD1 -0.0040 0.0146 -0.0107 76 ARG 4 HD2 -0.0020 0.0093 -0.0207 77 ARG 4 NE -0.0026 0.0201 -0.0220 78 ARG 4 HE -0.0020 0.0192 -0.0253 79 ARG 4 CZ -0.0032 0.0280 -0.0220 80 ARG 4 NH1 -0.0041 0.0301 -0.0175 81 ARG 4 HH11 -0.0045 0.0259 -0.0131 82 ARG 4 HH12 -0.0047 0.0363 -0.0169 83 ARG 4 NH2 -0.0030 0.0341 -0.0267 84 ARG 4 HH21 -0.0035 0.0401 -0.0266 85 ARG 4 HH22 -0.0024 0.0327 -0.0298 86 ARG 4 C -0.0041 -0.0102 0.0020 87 ARG 4 O -0.0033 -0.0153 -0.0004 88 ALA 5 N -0.0054 -0.0075 0.0020 89 ALA 5 HN -0.0052 -0.0071 0.0022 90 ALA 5 CA -0.0041 -0.0069 0.0020 91 ALA 5 HA -0.0044 -0.0073 0.0019 92 ALA 5 CB -0.0040 -0.0050 0.0026 93 ALA 5 HB1 -0.0030 -0.0045 0.0025 94 ALA 5 HB2 -0.0051 -0.0046 0.0030 95 ALA 5 HB3 -0.0037 -0.0046 0.0027 96 ALA 5 C -0.0025 -0.0076 0.0014 97 ALA 5 O -0.0021 -0.0078 0.0012 98 PHE 6 N -0.0021 -0.0052 -0.0017 99 PHE 6 HN -0.0027 -0.0049 -0.0016 100 PHE 6 CA -0.0009 -0.0060 -0.0019 101 PHE 6 HA -0.0001 -0.0061 -0.0021 102 PHE 6 CB -0.0012 -0.0074 -0.0015 103 PHE 6 HB1 -0.0004 -0.0079 -0.0017 104 PHE 6 HB2 -0.0021 -0.0074 -0.0013 105 PHE 6 CG -0.0014 -0.0084 -0.0013 106 PHE 6 CD1 -0.0026 -0.0083 -0.0010 107 PHE 6 HD1 -0.0035 -0.0077 -0.0009 108 PHE 6 CE1 -0.0028 -0.0091 -0.0008 109 PHE 6 HE1 -0.0037 -0.0091 -0.0006 110 PHE 6 CZ -0.0017 -0.0099 -0.0009 111 PHE 6 HZ -0.0018 -0.0105 -0.0008 112 PHE 6 CD2 -0.0003 -0.0092 -0.0014 113 PHE 6 HD2 0.0006 -0.0093 -0.0017 114 PHE 6 CE2 -0.0004 -0.0100 -0.0013 115 PHE 6 HE2 0.0004 -0.0107 -0.0014 116 PHE 6 C -0.0001 -0.0052 -0.0023 117 PHE 6 O -0.0006 -0.0044 -0.0023 118 LYS 7 N 0.0002 -0.0035 -0.0013 119 LYS 7 HN 0.0038 -0.0076 -0.0006 120 LYS 7 CA 0.0020 0.0004 -0.0056 121 LYS 7 HA -0.0023 0.0044 -0.0057 122 LYS 7 CB 0.0072 0.0031 -0.0114 123 LYS 7 HB1 0.0050 0.0064 -0.0125 124 LYS 7 HB2 0.0084 0.0059 -0.0145 125 LYS 7 CG 0.0137 -0.0020 -0.0121 126 LYS 7 HG1 0.0153 -0.0060 -0.0100 127 LYS 7 HG2 0.0128 -0.0038 -0.0100 128 LYS 7 CD 0.0194 0.0006 -0.0181 129 LYS 7 HD1 0.0184 0.0041 -0.0202 130 LYS 7 HD2 0.0193 0.0033 -0.0202 131 LYS 7 CE 0.0263 -0.0045 -0.0191 132 LYS 7 HE1 0.0301 -0.0023 -0.0235 133 LYS 7 HE2 0.0270 -0.0082 -0.0166 134 LYS 7 NZ 0.0277 -0.0077 -0.0175 135 LYS 7 HZ1 0.0287 -0.0048 -0.0205 136 LYS 7 HZ2 0.0235 -0.0086 -0.0139 137 LYS 7 HZ3 0.0317 -0.0120 -0.0170 138 LYS 7 C 0.0045 -0.0031 -0.0046 139 LYS 7 O 0.0068 -0.0090 -0.0017 140 SER 8 N -0.0025 0.0014 -0.0022 141 SER 8 HN -0.0030 0.0007 -0.0029 142 SER 8 CA -0.0038 0.0024 -0.0015 143 SER 8 HA -0.0034 0.0029 -0.0010 144 SER 8 CB -0.0042 0.0033 -0.0007 145 SER 8 HB1 -0.0030 0.0036 -0.0001 146 SER 8 HB2 -0.0051 0.0041 -0.0002 147 SER 8 OG -0.0048 0.0027 -0.0014 148 SER 8 HG1 -0.0039 0.0021 -0.0019 149 SER 8 C -0.0053 0.0020 -0.0023 150 SER 8 O -0.0056 0.0009 -0.0034 151 HIS 9 N -0.0111 -0.0018 0.0071 152 HIS 9 HN -0.0111 -0.0001 0.0058 153 HIS 9 CA -0.0128 -0.0025 0.0073 154 HIS 9 HA -0.0141 -0.0010 0.0060 155 HIS 9 CB -0.0106 -0.0026 0.0077 156 HIS 9 HB1 -0.0119 -0.0030 0.0078 157 HIS 9 HB2 -0.0090 -0.0039 0.0090 158 HIS 9 CD2 -0.0061 0.0007 0.0061 159 HIS 9 HD2 -0.0042 -0.0003 0.0071 160 HIS 9 CG -0.0090 -0.0001 0.0062 161 HIS 9 NE2 -0.0059 0.0032 0.0043 162 HIS 9 HE2 -0.0041 0.0044 0.0037 163 HIS 9 ND1 -0.0106 0.0017 0.0046 164 HIS 9 HD1 -0.0128 0.0016 0.0043 165 HIS 9 CE1 -0.0087 0.0037 0.0034 166 HIS 9 HE1 -0.0092 0.0055 0.0020 167 HIS 9 C -0.0151 -0.0047 0.0085 168 HIS 9 O -0.0173 -0.0047 0.0081 169 HIS 10 N -0.0469 -0.0396 0.0342 170 HIS 10 HN -0.0659 -0.0294 0.0360 171 HIS 10 CA -0.0266 -0.0228 0.0131 172 HIS 10 HA -0.0037 -0.0359 0.0114 173 HIS 10 CB -0.0244 0.0009 -0.0042 174 HIS 10 HB1 -0.0078 0.0127 -0.0202 175 HIS 10 HB2 -0.0474 0.0159 -0.0038 176 HIS 10 CD2 -0.0292 -0.0040 0.0014 177 HIS 10 HD2 -0.0529 0.0072 0.0047 178 HIS 10 CG -0.0140 -0.0094 -0.0020 179 HIS 10 NE2 -0.0074 -0.0147 -0.0015 180 HIS 10 HE2 -0.0106 -0.0135 -0.0008 181 HIS 10 ND1 0.0164 -0.0230 -0.0069 182 HIS 10 HD1 0.0329 -0.0292 -0.0103 183 HIS 10 CE1 0.0196 -0.0259 -0.0063 184 HIS 10 HE1 0.0412 -0.0356 -0.0098 185 HIS 10 C -0.0391 -0.0076 0.0085 186 HIS 10 O -0.0274 0.0108 -0.0096 187 GLY 11 N -0.0003 0.0022 -0.0207 188 GLY 11 HN -0.0024 0.0026 -0.0122 189 GLY 11 CA 0.0030 -0.0003 -0.0217 190 GLY 11 HA1 0.0050 -0.0006 -0.0314 191 GLY 11 HA2 0.0091 -0.0059 -0.0161 192 GLY 11 C -0.0045 0.0049 -0.0170 193 GLY 11 O -0.0022 0.0031 -0.0168 194 HIS 12 N -0.0048 0.0073 0.0046 195 HIS 12 HN -0.0047 0.0075 0.0041 196 HIS 12 CA -0.0018 0.0067 0.0039 197 HIS 12 HA -0.0013 0.0057 0.0059 198 HIS 12 CB 0.0010 0.0064 0.0029 199 HIS 12 HB1 0.0031 0.0062 0.0020 200 HIS 12 HB2 0.0003 0.0074 0.0011 201 HIS 12 CD2 0.0050 0.0039 0.0058 202 HIS 12 HD2 0.0072 0.0038 0.0045 203 HIS 12 CG 0.0020 0.0050 0.0053 204 HIS 12 NE2 0.0047 0.0029 0.0083 205 HIS 12 HE2 0.0064 0.0020 0.0092 206 HIS 12 ND1 -0.0002 0.0047 0.0074 207 HIS 12 HD1 -0.0025 0.0053 0.0075 208 HIS 12 CE1 0.0015 0.0034 0.0092 209 HIS 12 HE1 0.0006 0.0028 0.0111 210 HIS 12 C -0.0018 0.0079 0.0015 211 HIS 12 O -0.0035 0.0093 -0.0005 212 PHE 13 N 0.0025 0.0082 -0.0048 213 PHE 13 HN 0.0018 0.0099 -0.0052 214 PHE 13 CA 0.0010 0.0069 -0.0036 215 PHE 13 HA 0.0021 0.0055 -0.0035 216 PHE 13 CB -0.0005 0.0086 -0.0036 217 PHE 13 HB1 -0.0014 0.0076 -0.0027 218 PHE 13 HB2 -0.0018 0.0099 -0.0035 219 PHE 13 CG 0.0011 0.0100 -0.0049 220 PHE 13 CD1 0.0029 0.0087 -0.0053 221 PHE 13 HD1 0.0031 0.0068 -0.0046 222 PHE 13 CE1 0.0044 0.0099 -0.0065 223 PHE 13 HE1 0.0058 0.0090 -0.0068 224 PHE 13 CZ 0.0042 0.0125 -0.0074 225 PHE 13 HZ 0.0054 0.0134 -0.0084 226 PHE 13 CD2 0.0009 0.0125 -0.0058 227 PHE 13 HD2 -0.0005 0.0135 -0.0055 228 PHE 13 CE2 0.0024 0.0137 -0.0070 229 PHE 13 HE2 0.0023 0.0157 -0.0077 230 PHE 13 C -0.0007 0.0058 -0.0023 231 PHE 13 O -0.0015 0.0067 -0.0023 232 LEU 14 N -0.0025 -0.0012 0.0016 233 LEU 14 HN -0.0025 -0.0017 0.0015 234 LEU 14 CA -0.0027 -0.0011 0.0020 235 LEU 14 HA -0.0025 -0.0007 0.0018 236 LEU 14 CB -0.0027 -0.0018 0.0019 237 LEU 14 HB1 -0.0028 -0.0018 0.0022 238 LEU 14 HB2 -0.0028 -0.0023 0.0021 239 LEU 14 CG -0.0023 -0.0021 0.0012 240 LEU 14 HG -0.0022 -0.0022 0.0009 241 LEU 14 CD1 -0.0024 -0.0028 0.0012 242 LEU 14 HD11 -0.0025 -0.0026 0.0015 243 LEU 14 HD12 -0.0022 -0.0029 0.0007 244 LEU 14 HD13 -0.0026 -0.0032 0.0014 245 LEU 14 CD2 -0.0021 -0.0014 0.0008 246 LEU 14 HD21 -0.0020 -0.0009 0.0008 247 LEU 14 HD22 -0.0019 -0.0016 0.0003 248 LEU 14 HD23 -0.0022 -0.0012 0.0011 249 LEU 14 C -0.0030 -0.0009 0.0027 250 LEU 14 O -0.0032 -0.0013 0.0030 251 SER 15 N -0.0012 -0.0033 0.0032 252 SER 15 HN -0.0011 -0.0032 0.0031 253 SER 15 CA -0.0032 -0.0020 0.0037 254 SER 15 HA -0.0034 -0.0028 0.0041 255 SER 15 CB -0.0031 0.0005 0.0024 256 SER 15 HB1 -0.0048 0.0015 0.0029 257 SER 15 HB2 -0.0027 0.0013 0.0018 258 SER 15 OG -0.0016 0.0008 0.0014 259 SER 15 HG1 -0.0004 -0.0006 0.0014 260 SER 15 C -0.0052 -0.0022 0.0049 261 SER 15 O -0.0052 -0.0025 0.0050 262 ALA 16 N -0.0077 -0.0075 0.0093 263 ALA 16 HN -0.0070 -0.0078 0.0089 264 ALA 16 CA -0.0073 -0.0072 0.0094 265 ALA 16 HA -0.0080 -0.0068 0.0099 266 ALA 16 CB -0.0061 -0.0063 0.0095 267 ALA 16 HB1 -0.0063 -0.0056 0.0100 268 ALA 16 HB2 -0.0054 -0.0066 0.0090 269 ALA 16 HB3 -0.0058 -0.0060 0.0095 270 ALA 16 C -0.0070 -0.0082 0.0087 271 ALA 16 O -0.0065 -0.0089 0.0080 272 GLU 17 N 0.0010 -0.0119 0.0153 273 GLU 17 HN -0.0017 -0.0084 0.0189 274 GLU 17 CA -0.0029 -0.0096 0.0139 275 GLU 17 HA 0.0014 -0.0133 0.0128 276 GLU 17 CB -0.0107 -0.0074 0.0058 277 GLU 17 HB1 -0.0146 -0.0042 0.0067 278 GLU 17 HB2 -0.0144 -0.0046 0.0061 279 GLU 17 CG -0.0092 -0.0128 -0.0042 280 GLU 17 HG1 -0.0056 -0.0162 -0.0059 281 GLU 17 HG2 -0.0059 -0.0155 -0.0048 282 GLU 17 CD -0.0175 -0.0099 -0.0113 283 GLU 17 OE1 -0.0183 -0.0126 -0.0191 284 GLU 17 OE2 -0.0236 -0.0043 -0.0088 285 GLU 17 C -0.0060 -0.0037 0.0226 286 GLU 17 O -0.0104 0.0010 0.0258 287 GLY 18 N -0.0126 -0.0278 -0.0041 288 GLY 18 HN -0.0068 -0.0194 -0.0205 289 GLY 18 CA -0.0208 -0.0445 -0.0138 290 GLY 18 HA1 -0.0324 -0.0652 -0.0079 291 GLY 18 HA2 -0.0177 -0.0426 -0.0382 292 GLY 18 C -0.0175 -0.0362 0.0007 293 GLY 18 O -0.0061 -0.0161 -0.0074 294 GLU 19 N -0.0093 -0.0206 0.0062 295 GLU 19 HN -0.0108 -0.0124 0.0002 296 GLU 19 CA -0.0094 -0.0186 0.0067 297 GLU 19 HA -0.0076 -0.0262 0.0153 298 GLU 19 CB -0.0099 -0.0014 0.0107 299 GLU 19 HB1 -0.0100 0.0000 0.0106 300 GLU 19 HB2 -0.0118 0.0065 0.0018 301 GLU 19 CG -0.0078 0.0041 0.0269 302 GLU 19 HG1 -0.0076 0.0034 0.0280 303 GLU 19 HG2 -0.0059 -0.0033 0.0360 304 GLU 19 CD -0.0083 0.0210 0.0304 305 GLU 19 OE1 -0.0093 0.0255 0.0262 306 GLU 19 OE2 -0.0078 0.0296 0.0374 307 GLU 19 C -0.0115 -0.0224 -0.0089 308 GLU 19 O -0.0121 -0.0192 -0.0110 309 ALA 20 N -0.0058 -0.0045 0.0192 310 ALA 20 HN -0.0061 -0.0034 0.0196 311 ALA 20 CA -0.0042 -0.0052 0.0180 312 ALA 20 HA -0.0043 -0.0067 0.0178 313 ALA 20 CB -0.0030 -0.0039 0.0173 314 ALA 20 HB1 -0.0018 -0.0045 0.0163 315 ALA 20 HB2 -0.0034 -0.0039 0.0176 316 ALA 20 HB3 -0.0028 -0.0024 0.0174 317 ALA 20 C -0.0036 -0.0053 0.0176 318 ALA 20 O -0.0043 -0.0046 0.0182 319 VAL 21 N -0.0021 -0.0019 0.0121 320 VAL 21 HN -0.0019 -0.0018 0.0116 321 VAL 21 CA -0.0024 -0.0024 0.0118 322 VAL 21 HA -0.0026 -0.0025 0.0124 323 VAL 21 CB -0.0027 -0.0033 0.0114 324 VAL 21 HB -0.0025 -0.0032 0.0107 325 VAL 21 CG1 -0.0030 -0.0038 0.0112 326 VAL 21 HG11 -0.0027 -0.0036 0.0107 327 VAL 21 HG12 -0.0032 -0.0039 0.0118 328 VAL 21 HG13 -0.0033 -0.0044 0.0108 329 VAL 21 CG2 -0.0032 -0.0036 0.0120 330 VAL 21 HG21 -0.0034 -0.0043 0.0117 331 VAL 21 HG22 -0.0034 -0.0037 0.0127 332 VAL 21 HG23 -0.0030 -0.0033 0.0121 333 VAL 21 C -0.0019 -0.0020 0.0112 334 VAL 21 O -0.0016 -0.0017 0.0106 335 LYS 22 N 0.0003 -0.0009 0.0057 336 LYS 22 HN 0.0029 -0.0007 0.0033 337 LYS 22 CA -0.0016 -0.0005 0.0037 338 LYS 22 HA -0.0031 -0.0008 0.0069 339 LYS 22 CB -0.0062 0.0002 -0.0006 340 LYS 22 HB1 -0.0094 0.0001 0.0015 341 LYS 22 HB2 -0.0081 0.0004 -0.0017 342 LYS 22 CG -0.0042 0.0006 -0.0057 343 LYS 22 HG1 -0.0028 0.0009 -0.0087 344 LYS 22 HG2 -0.0006 0.0004 -0.0047 345 LYS 22 CD -0.0085 0.0011 -0.0082 346 LYS 22 HD1 -0.0062 0.0014 -0.0114 347 LYS 22 HD2 -0.0098 0.0009 -0.0051 348 LYS 22 CE -0.0134 0.0017 -0.0107 349 LYS 22 HE1 -0.0161 0.0015 -0.0076 350 LYS 22 HE2 -0.0120 0.0019 -0.0136 351 LYS 22 NZ -0.0166 0.0022 -0.0139 352 LYS 22 HZ1 -0.0195 0.0026 -0.0164 353 LYS 22 HZ2 -0.0181 0.0020 -0.0117 354 LYS 22 HZ3 -0.0137 0.0023 -0.0165 355 LYS 22 C 0.0031 -0.0005 0.0012 356 LYS 22 O 0.0072 -0.0005 -0.0004 357 THR 23 N 0.0023 0.0048 -0.0014 358 THR 23 HN 0.0021 0.0036 -0.0008 359 THR 23 CA 0.0031 0.0060 -0.0006 360 THR 23 HA 0.0034 0.0072 -0.0010 361 THR 23 CB 0.0036 0.0056 0.0013 362 THR 23 HB 0.0032 0.0044 0.0017 363 THR 23 OG1 0.0038 0.0056 0.0020 364 THR 23 HG1 0.0040 0.0053 0.0032 365 THR 23 CG2 0.0044 0.0070 0.0021 366 THR 23 HG21 0.0047 0.0068 0.0035 367 THR 23 HG22 0.0042 0.0069 0.0018 368 THR 23 HG23 0.0047 0.0082 0.0017 369 THR 23 C 0.0028 0.0060 -0.0013 370 THR 23 O 0.0023 0.0047 -0.0015 371 HIS 24 N 0.0044 0.0103 -0.0074 372 HIS 24 HN 0.0053 0.0116 -0.0072 373 HIS 24 CA 0.0040 0.0108 -0.0089 374 HIS 24 HA 0.0032 0.0093 -0.0087 375 HIS 24 CB 0.0032 0.0114 -0.0116 376 HIS 24 HB1 0.0040 0.0129 -0.0119 377 HIS 24 HB2 0.0022 0.0100 -0.0120 378 HIS 24 CD2 0.0026 0.0133 -0.0154 379 HIS 24 HD2 0.0030 0.0145 -0.0163 380 HIS 24 CG 0.0027 0.0119 -0.0133 381 HIS 24 NE2 0.0020 0.0130 -0.0164 382 HIS 24 HE2 0.0017 0.0137 -0.0181 383 HIS 24 ND1 0.0021 0.0106 -0.0129 384 HIS 24 HD1 0.0020 0.0094 -0.0115 385 HIS 24 CE1 0.0017 0.0114 -0.0149 386 HIS 24 HE1 0.0012 0.0107 -0.0152 387 HIS 24 C 0.0054 0.0126 -0.0083 388 HIS 24 O 0.0066 0.0143 -0.0078 389 HIS 25 N 0.0015 0.0167 -0.0096 390 HIS 25 HN 0.0032 0.0040 -0.0119 391 HIS 25 CA -0.0027 0.0205 0.0030 392 HIS 25 HA -0.0059 0.0306 0.0108 393 HIS 25 CB -0.0049 0.0042 0.0139 394 HIS 25 HB1 -0.0070 0.0007 0.0214 395 HIS 25 HB2 -0.0078 0.0069 0.0227 396 HIS 25 CD2 0.0011 -0.0186 0.0005 397 HIS 25 HD2 -0.0002 -0.0140 0.0033 398 HIS 25 CG -0.0006 -0.0115 0.0040 399 HIS 25 NE2 0.0049 -0.0336 -0.0081 400 HIS 25 HE2 0.0071 -0.0415 -0.0130 401 HIS 25 ND1 0.0021 -0.0218 -0.0019 402 HIS 25 HD1 0.0016 -0.0199 -0.0010 403 HIS 25 CE1 0.0054 -0.0349 -0.0093 404 HIS 25 HE1 0.0082 -0.0453 -0.0156 405 HIS 25 C -0.0008 0.0272 -0.0046 406 HIS 25 O -0.0041 0.0364 0.0036 407 GLY 26 N -0.0041 0.0160 -0.0111 408 GLY 26 HN -0.0021 0.0168 -0.0118 409 GLY 26 CA -0.0043 0.0145 -0.0093 410 GLY 26 HA1 -0.0062 0.0147 -0.0098 411 GLY 26 HA2 -0.0022 0.0147 -0.0092 412 GLY 26 C -0.0048 0.0124 -0.0069 413 GLY 26 O -0.0040 0.0120 -0.0062 414 HIS 27 N -0.0001 0.0083 0.0075 415 HIS 27 HN 0.0038 0.0068 0.0111 416 HIS 27 CA 0.0012 0.0095 -0.0014 417 HIS 27 HA 0.0078 0.0082 -0.0024 418 HIS 27 CB -0.0017 0.0112 -0.0075 419 HIS 27 HB1 -0.0001 0.0119 -0.0140 420 HIS 27 HB2 -0.0085 0.0126 -0.0069 421 HIS 27 CD2 -0.0007 0.0102 -0.0033 422 HIS 27 HD2 -0.0070 0.0114 -0.0019 423 HIS 27 CG 0.0025 0.0100 -0.0058 424 HIS 27 NE2 0.0060 0.0086 -0.0025 425 HIS 27 HE2 0.0058 0.0083 -0.0004 426 HIS 27 ND1 0.0110 0.0082 -0.0067 427 HIS 27 HD1 0.0149 0.0077 -0.0086 428 HIS 27 CE1 0.0128 0.0075 -0.0047 429 HIS 27 HE1 0.0191 0.0061 -0.0045 430 HIS 27 C -0.0026 0.0106 -0.0029 431 HIS 27 O -0.0094 0.0116 0.0002 432 HIS 28 N 0.0194 -0.0012 0.0156 433 HIS 28 HN 0.0266 0.0048 0.0166 434 HIS 28 CA 0.0095 0.0013 0.0063 435 HIS 28 HA 0.0128 0.0096 0.0026 436 HIS 28 CB 0.0026 0.0025 0.0002 437 HIS 28 HB1 0.0080 0.0095 -0.0010 438 HIS 28 HB2 -0.0044 0.0048 -0.0069 439 HIS 28 CD2 0.0001 -0.0076 0.0057 440 HIS 28 HD2 0.0057 -0.0013 0.0053 441 HIS 28 CG -0.0019 -0.0072 0.0039 442 HIS 28 NE2 -0.0063 -0.0178 0.0085 443 HIS 28 HE2 -0.0064 -0.0203 0.0102 444 HIS 28 ND1 -0.0099 -0.0175 0.0055 445 HIS 28 HD1 -0.0134 -0.0200 0.0047 446 HIS 28 CE1 -0.0120 -0.0235 0.0083 447 HIS 28 HE1 -0.0176 -0.0321 0.0105 448 HIS 28 C 0.0019 -0.0052 0.0053 449 HIS 28 O -0.0033 -0.0008 -0.0019 450 ASP 29 N -0.0004 -0.0176 0.0339 451 ASP 29 HN -0.0036 -0.0142 0.0292 452 ASP 29 CA 0.0032 -0.0137 0.0402 453 ASP 29 HA 0.0061 -0.0130 0.0449 454 ASP 29 CB 0.0013 -0.0043 0.0384 455 ASP 29 HB1 0.0039 -0.0011 0.0432 456 ASP 29 HB2 -0.0019 -0.0047 0.0333 457 ASP 29 CG -0.0002 0.0016 0.0369 458 ASP 29 OD1 -0.0030 0.0086 0.0335 459 ASP 29 OD2 0.0014 -0.0005 0.0392 460 ASP 29 C 0.0053 -0.0196 0.0428 461 ASP 29 O 0.0029 -0.0237 0.0383 462 HIS 30 N -0.0329 0.0203 -0.0178 463 HIS 30 HN -0.0314 0.0243 -0.0138 464 HIS 30 CA -0.0205 0.0160 -0.0097 465 HIS 30 HA -0.0214 0.0069 -0.0163 466 HIS 30 CB -0.0053 0.0087 -0.0010 467 HIS 30 HB1 0.0039 0.0050 0.0047 468 HIS 30 HB2 -0.0038 0.0182 0.0064 469 HIS 30 CD2 -0.0028 -0.0085 -0.0099 470 HIS 30 HD2 -0.0024 -0.0000 -0.0041 471 HIS 30 CG -0.0041 -0.0062 -0.0096 472 HIS 30 NE2 -0.0018 -0.0246 -0.0194 473 HIS 30 HE2 -0.0011 -0.0301 -0.0224 474 HIS 30 ND1 -0.0037 -0.0205 -0.0185 475 HIS 30 HD1 -0.0043 -0.0224 -0.0202 476 HIS 30 CE1 -0.0024 -0.0312 -0.0242 477 HIS 30 HE1 -0.0021 -0.0439 -0.0322 478 HIS 30 C -0.0208 0.0314 -0.0000 479 HIS 30 O -0.0242 0.0450 0.0058 480 HIS 31 N -0.0075 0.0046 0.0123 481 HIS 31 HN -0.0086 0.0045 0.0128 482 HIS 31 CA -0.0067 0.0026 0.0099 483 HIS 31 HA -0.0045 0.0033 0.0092 484 HIS 31 CB -0.0068 0.0013 0.0086 485 HIS 31 HB1 -0.0064 -0.0004 0.0067 486 HIS 31 HB2 -0.0089 0.0008 0.0093 487 HIS 31 CD2 -0.0048 0.0040 0.0101 488 HIS 31 HD2 -0.0064 0.0047 0.0118 489 HIS 31 CG -0.0047 0.0026 0.0086 490 HIS 31 NE2 -0.0023 0.0046 0.0092 491 HIS 31 HE2 -0.0017 0.0057 0.0099 492 HIS 31 ND1 -0.0022 0.0021 0.0067 493 HIS 31 HD1 -0.0016 0.0011 0.0053 494 HIS 31 CE1 -0.0009 0.0034 0.0071 495 HIS 31 HE1 0.0011 0.0035 0.0060 496 HIS 31 C -0.0083 0.0009 0.0092 497 HIS 31 O -0.0108 0.0006 0.0103 498 THR 32 N -0.0106 -0.0093 0.0049 499 THR 32 HN -0.0114 -0.0093 0.0050 500 THR 32 CA -0.0101 -0.0088 0.0058 501 THR 32 HA -0.0097 -0.0088 0.0056 502 THR 32 CB -0.0110 -0.0083 0.0066 503 THR 32 HB -0.0114 -0.0082 0.0068 504 THR 32 OG1 -0.0118 -0.0085 0.0063 505 THR 32 HG1 -0.0118 -0.0089 0.0056 506 THR 32 CG2 -0.0104 -0.0077 0.0075 507 THR 32 HG21 -0.0111 -0.0074 0.0080 508 THR 32 HG22 -0.0098 -0.0075 0.0078 509 THR 32 HG23 -0.0100 -0.0078 0.0073 510 THR 32 C -0.0093 -0.0085 0.0061 511 THR 32 O -0.0095 -0.0084 0.0063 512 HIS 33 N -0.0050 -0.0088 0.0010 513 HIS 33 HN -0.0043 -0.0096 -0.0006 514 HIS 33 CA -0.0050 -0.0062 0.0012 515 HIS 33 HA -0.0059 -0.0056 0.0029 516 HIS 33 CB -0.0043 -0.0050 -0.0003 517 HIS 33 HB1 -0.0043 -0.0029 -0.0002 518 HIS 33 HB2 -0.0035 -0.0055 -0.0021 519 HIS 33 CD2 -0.0054 -0.0072 0.0020 520 HIS 33 HD2 -0.0061 -0.0081 0.0033 521 HIS 33 CG -0.0046 -0.0057 0.0003 522 HIS 33 NE2 -0.0053 -0.0074 0.0017 523 HIS 33 HE2 -0.0057 -0.0084 0.0025 524 HIS 33 ND1 -0.0040 -0.0049 -0.0010 525 HIS 33 HD1 -0.0033 -0.0038 -0.0024 526 HIS 33 CE1 -0.0044 -0.0060 -0.0002 527 HIS 33 HE1 -0.0040 -0.0058 -0.0009 528 HIS 33 C -0.0047 -0.0053 0.0006 529 HIS 33 O -0.0039 -0.0059 -0.0012 530 PHE 34 N -0.0052 -0.0040 0.0028 531 PHE 34 HN -0.0060 -0.0040 0.0031 532 PHE 34 CA -0.0050 -0.0026 0.0029 533 PHE 34 HA -0.0044 -0.0027 0.0027 534 PHE 34 CB -0.0063 -0.0020 0.0036 535 PHE 34 HB1 -0.0061 -0.0009 0.0037 536 PHE 34 HB2 -0.0070 -0.0019 0.0039 537 PHE 34 CG -0.0070 -0.0029 0.0037 538 PHE 34 CD1 -0.0065 -0.0028 0.0035 539 PHE 34 HD1 -0.0056 -0.0022 0.0032 540 PHE 34 CE1 -0.0071 -0.0036 0.0036 541 PHE 34 HE1 -0.0067 -0.0036 0.0035 542 PHE 34 CZ -0.0083 -0.0044 0.0040 543 PHE 34 HZ -0.0088 -0.0050 0.0041 544 PHE 34 CD2 -0.0081 -0.0037 0.0040 545 PHE 34 HD2 -0.0085 -0.0037 0.0042 546 PHE 34 CE2 -0.0088 -0.0044 0.0042 547 PHE 34 HE2 -0.0097 -0.0051 0.0044 548 PHE 34 C -0.0042 -0.0016 0.0028 549 PHE 34 O -0.0046 -0.0013 0.0030 550 HIS 35 N -0.0003 0.0038 0.0038 551 HIS 35 HN -0.0016 0.0016 0.0029 552 HIS 35 CA 0.0026 0.0073 0.0028 553 HIS 35 HA 0.0039 0.0095 0.0035 554 HIS 35 CB 0.0040 0.0067 -0.0020 555 HIS 35 HB1 0.0060 0.0092 -0.0027 556 HIS 35 HB2 0.0025 0.0042 -0.0029 557 HIS 35 CD2 0.0029 0.0028 -0.0066 558 HIS 35 HD2 0.0007 -0.0001 -0.0062 559 HIS 35 CG 0.0046 0.0060 -0.0049 560 HIS 35 NE2 0.0044 0.0034 -0.0092 561 HIS 35 HE2 0.0036 0.0016 -0.0108 562 HIS 35 ND1 0.0072 0.0088 -0.0065 563 HIS 35 HD1 0.0090 0.0115 -0.0060 564 HIS 35 CE1 0.0069 0.0071 -0.0091 565 HIS 35 HE1 0.0087 0.0086 -0.0108 566 HIS 35 C 0.0025 0.0087 0.0057 567 HIS 35 O 0.0009 0.0066 0.0059 568 VAL 36 N -0.0004 0.0011 -0.0049 569 VAL 36 HN -0.0011 0.0000 -0.0049 570 VAL 36 CA -0.0005 -0.0001 -0.0067 571 VAL 36 HA 0.0007 0.0013 -0.0075 572 VAL 36 CB -0.0008 -0.0020 -0.0092 573 VAL 36 HB -0.0020 -0.0034 -0.0084 574 VAL 36 CG1 -0.0009 -0.0033 -0.0110 575 VAL 36 HG11 -0.0022 -0.0045 -0.0098 576 VAL 36 HG12 0.0002 -0.0019 -0.0116 577 VAL 36 HG13 -0.0010 -0.0045 -0.0129 578 VAL 36 CG2 0.0008 -0.0006 -0.0109 579 VAL 36 HG21 0.0020 0.0008 -0.0118 580 VAL 36 HG22 0.0010 0.0003 -0.0098 581 VAL 36 HG23 0.0006 -0.0020 -0.0127 582 VAL 36 C -0.0020 -0.0014 -0.0049 583 VAL 36 O -0.0035 -0.0029 -0.0036 584 GLU 37 N -0.0004 0.0024 -0.0049 585 GLU 37 HN 0.0026 0.0045 -0.0069 586 GLU 37 CA -0.0039 0.0001 -0.0022 587 GLU 37 HA -0.0069 -0.0019 0.0001 588 GLU 37 CB -0.0031 0.0041 0.0019 589 GLU 37 HB1 -0.0001 0.0060 -0.0004 590 GLU 37 HB2 -0.0023 0.0069 0.0045 591 GLU 37 CG -0.0070 0.0022 0.0056 592 GLU 37 HG1 -0.0099 0.0001 0.0077 593 GLU 37 HG2 -0.0075 -0.0003 0.0033 594 GLU 37 CD -0.0061 0.0065 0.0101 595 GLU 37 OE1 -0.0035 0.0087 0.0089 596 GLU 37 OE2 -0.0078 0.0078 0.0147 597 GLU 37 C -0.0044 -0.0035 -0.0064 598 GLU 37 O -0.0012 -0.0025 -0.0103 599 ASN 38 N -0.0005 0.0057 -0.0139 600 ASN 38 HN -0.0073 0.0171 -0.0179 601 ASN 38 CA 0.0017 -0.0201 -0.0058 602 ASN 38 HA 0.0172 -0.0275 -0.0023 603 ASN 38 CB 0.0104 -0.0232 -0.0042 604 ASN 38 HB1 0.0313 -0.0177 -0.0044 605 ASN 38 HB2 0.0087 -0.0427 0.0017 606 ASN 38 CG -0.0051 -0.0075 -0.0101 607 ASN 38 OD1 -0.0280 -0.0114 -0.0106 608 ASN 38 ND2 0.0080 0.0108 -0.0149 609 ASN 38 HD21 -0.0023 0.0205 -0.0186 610 ASN 38 HD22 0.0269 0.0133 -0.0143 611 ASN 38 C -0.0218 -0.0364 -0.0024 612 ASN 38 O -0.0437 -0.0285 -0.0064 613 HIS 39 N -0.0051 -0.0124 -0.0102 614 HIS 39 HN -0.0031 -0.0140 -0.0130 615 HIS 39 CA -0.0054 -0.0127 -0.0101 616 HIS 39 HA -0.0088 -0.0133 -0.0074 617 HIS 39 CB -0.0023 -0.0079 -0.0100 618 HIS 39 HB1 -0.0019 -0.0085 -0.0107 619 HIS 39 HB2 0.0010 -0.0069 -0.0123 620 HIS 39 CD2 -0.0027 0.0004 -0.0045 621 HIS 39 HD2 -0.0007 0.0011 -0.0059 622 HIS 39 CG -0.0038 -0.0035 -0.0059 623 HIS 39 NE2 -0.0050 0.0034 -0.0006 624 HIS 39 HE2 -0.0053 0.0064 0.0015 625 HIS 39 ND1 -0.0066 -0.0029 -0.0030 626 HIS 39 HD1 -0.0079 -0.0051 -0.0032 627 HIS 39 CE1 -0.0072 0.0013 0.0001 628 HIS 39 HE1 -0.0094 0.0028 0.0031 629 HIS 39 C -0.0044 -0.0173 -0.0138 630 HIS 39 O -0.0024 -0.0172 -0.0156 631 GLY 40 N 0.0156 -0.0080 -0.0057 632 GLY 40 HN 0.0112 -0.0109 -0.0012 633 GLY 40 CA 0.0100 0.0001 -0.0145 634 GLY 40 HA1 0.0170 0.0035 -0.0201 635 GLY 40 HA2 0.0052 0.0027 -0.0167 636 GLY 40 C 0.0003 0.0002 -0.0126 637 GLY 40 O -0.0067 -0.0046 -0.0052 638 GLY 41 N 0.0318 0.0170 0.0133 639 GLY 41 HN 0.0505 0.0364 0.0032 640 GLY 41 CA 0.0005 0.0194 -0.0033 641 GLY 41 HA1 0.0019 0.0431 -0.0253 642 GLY 41 HA2 -0.0259 0.0061 -0.0025 643 GLY 41 C -0.0002 0.0080 0.0074 644 GLY 41 O -0.0299 0.0015 0.0000 645 LYS 42 N 0.0188 -0.0186 0.0140 646 LYS 42 HN 0.0125 -0.0189 0.0170 647 LYS 42 CA 0.0153 -0.0118 0.0049 648 LYS 42 HA 0.0238 -0.0113 0.0006 649 LYS 42 CB 0.0054 -0.0117 0.0088 650 LYS 42 HB1 0.0009 -0.0058 0.0015 651 LYS 42 HB2 -0.0022 -0.0137 0.0150 652 LYS 42 CG 0.0115 -0.0163 0.0134 653 LYS 42 HG1 0.0162 -0.0222 0.0207 654 LYS 42 HG2 0.0194 -0.0142 0.0069 655 LYS 42 CD 0.0023 -0.0155 0.0160 656 LYS 42 HD1 0.0080 -0.0179 0.0174 657 LYS 42 HD2 -0.0022 -0.0094 0.0085 658 LYS 42 CE -0.0083 -0.0191 0.0259 659 LYS 42 HE1 -0.0146 -0.0180 0.0268 660 LYS 42 HE2 -0.0141 -0.0168 0.0248 661 LYS 42 NZ -0.0027 -0.0273 0.0363 662 LYS 42 HZ1 -0.0098 -0.0297 0.0431 663 LYS 42 HZ2 0.0035 -0.0294 0.0371 664 LYS 42 HZ3 0.0025 -0.0284 0.0360 665 LYS 42 C 0.0111 -0.0052 -0.0037 666 LYS 42 O 0.0049 -0.0054 -0.0007 667 VAL 43 N 0.0033 -0.0060 -0.0098 668 VAL 43 HN 0.0041 -0.0058 -0.0111 669 VAL 43 CA 0.0027 -0.0048 -0.0103 670 VAL 43 HA 0.0023 -0.0055 -0.0090 671 VAL 43 CB 0.0042 -0.0047 -0.0125 672 VAL 43 HB 0.0037 -0.0039 -0.0126 673 VAL 43 CG1 0.0060 -0.0070 -0.0124 674 VAL 43 HG11 0.0071 -0.0070 -0.0139 675 VAL 43 HG12 0.0057 -0.0080 -0.0108 676 VAL 43 HG13 0.0067 -0.0078 -0.0124 677 VAL 43 CG2 0.0047 -0.0033 -0.0146 678 VAL 43 HG21 0.0058 -0.0034 -0.0161 679 VAL 43 HG22 0.0051 -0.0040 -0.0145 680 VAL 43 HG23 0.0034 -0.0016 -0.0148 681 VAL 43 C 0.0009 -0.0025 -0.0104 682 VAL 43 O 0.0004 -0.0017 -0.0106 683 ALA 44 N -0.0002 0.0024 -0.0081 684 ALA 44 HN -0.0013 0.0012 -0.0067 685 ALA 44 CA 0.0007 0.0057 -0.0070 686 ALA 44 HA 0.0020 0.0069 -0.0086 687 ALA 44 CB -0.0005 0.0063 -0.0039 688 ALA 44 HB1 -0.0008 0.0053 -0.0043 689 ALA 44 HB2 -0.0017 0.0053 -0.0021 690 ALA 44 HB3 0.0003 0.0089 -0.0032 691 ALA 44 C 0.0010 0.0069 -0.0065 692 ALA 44 O -0.0001 0.0053 -0.0057 693 LEU 45 N 0.0010 0.0055 -0.0007 694 LEU 45 HN 0.0013 0.0071 -0.0010 695 LEU 45 CA 0.0007 0.0050 -0.0010 696 LEU 45 HA 0.0003 0.0032 -0.0008 697 LEU 45 CB 0.0005 0.0060 -0.0033 698 LEU 45 HB1 0.0004 0.0057 -0.0034 699 LEU 45 HB2 0.0010 0.0078 -0.0034 700 LEU 45 CG -0.0002 0.0050 -0.0053 701 LEU 45 HG -0.0001 0.0053 -0.0052 702 LEU 45 CD1 -0.0003 0.0063 -0.0075 703 LEU 45 HD11 -0.0008 0.0056 -0.0090 704 LEU 45 HD12 0.0002 0.0081 -0.0075 705 LEU 45 HD13 -0.0004 0.0061 -0.0077 706 LEU 45 CD2 -0.0009 0.0025 -0.0054 707 LEU 45 HD21 -0.0009 0.0021 -0.0047 708 LEU 45 HD22 -0.0010 0.0016 -0.0044 709 LEU 45 HD23 -0.0014 0.0020 -0.0072 710 LEU 45 C 0.0014 0.0060 0.0009 711 LEU 45 O 0.0021 0.0080 0.0012 712 LYS 46 N 0.0016 0.0122 0.0062 713 LYS 46 HN 0.0008 0.0095 0.0059 714 LYS 46 CA 0.0034 0.0127 0.0088 715 LYS 46 HA 0.0038 0.0156 0.0084 716 LYS 46 CB 0.0054 0.0120 0.0124 717 LYS 46 HB1 0.0058 0.0139 0.0123 718 LYS 46 HB2 0.0068 0.0132 0.0142 719 LYS 46 CG 0.0053 0.0079 0.0138 720 LYS 46 HG1 0.0051 0.0061 0.0141 721 LYS 46 HG2 0.0038 0.0066 0.0119 722 LYS 46 CD 0.0074 0.0078 0.0171 723 LYS 46 HD1 0.0074 0.0093 0.0166 724 LYS 46 HD2 0.0088 0.0096 0.0188 725 LYS 46 CE 0.0076 0.0038 0.0190 726 LYS 46 HE1 0.0077 0.0024 0.0198 727 LYS 46 HE2 0.0062 0.0020 0.0174 728 LYS 46 NZ 0.0096 0.0043 0.0221 729 LYS 46 HZ1 0.0092 0.0046 0.0213 730 LYS 46 HZ2 0.0101 0.0019 0.0239 731 LYS 46 HZ3 0.0108 0.0067 0.0231 732 LYS 46 C 0.0026 0.0100 0.0085 733 LYS 46 O 0.0010 0.0071 0.0072 734 THR 47 N 0.0008 0.0045 0.0093 735 THR 47 HN 0.0012 0.0048 0.0093 736 THR 47 CA 0.0002 0.0011 0.0082 737 THR 47 HA -0.0017 0.0010 0.0086 738 THR 47 CB -0.0010 -0.0012 0.0077 739 THR 47 HB -0.0019 -0.0036 0.0071 740 THR 47 OG1 0.0015 -0.0016 0.0071 741 THR 47 HG1 0.0003 -0.0027 0.0069 742 THR 47 CG2 -0.0040 0.0003 0.0088 743 THR 47 HG21 -0.0033 0.0026 0.0095 744 THR 47 HG22 -0.0051 -0.0014 0.0085 745 THR 47 HG23 -0.0060 0.0007 0.0094 746 THR 47 C 0.0033 -0.0003 0.0071 747 THR 47 O 0.0061 0.0012 0.0071 748 HIS 48 N 0.0068 -0.0040 0.0051 749 HIS 48 HN 0.0023 -0.0054 0.0034 750 HIS 48 CA 0.0129 -0.0070 -0.0011 751 HIS 48 HA 0.0194 -0.0056 0.0005 752 HIS 48 CB 0.0106 -0.0114 -0.0084 753 HIS 48 HB1 0.0111 -0.0108 -0.0074 754 HIS 48 HB2 0.0153 -0.0136 -0.0131 755 HIS 48 CD2 -0.0011 -0.0174 -0.0174 756 HIS 48 HD2 0.0027 -0.0197 -0.0220 757 HIS 48 CG 0.0015 -0.0136 -0.0110 758 HIS 48 NE2 -0.0101 -0.0180 -0.0171 759 HIS 48 HE2 -0.0140 -0.0206 -0.0211 760 HIS 48 ND1 -0.0057 -0.0118 -0.0067 761 HIS 48 HD1 -0.0056 -0.0090 -0.0018 762 HIS 48 CE1 -0.0125 -0.0145 -0.0106 763 HIS 48 HE1 -0.0192 -0.0141 -0.0089 764 HIS 48 C 0.0129 -0.0079 -0.0026 765 HIS 48 O 0.0195 -0.0088 -0.0052 766 CYS 49 N 0.0041 -0.0074 0.0095 767 CYS 49 HN 0.0038 -0.0046 0.0043 768 CYS 49 CA 0.0024 -0.0020 0.0174 769 CYS 49 HA 0.0028 -0.0047 0.0212 770 CYS 49 CB 0.0005 0.0078 0.0141 771 CYS 49 HB1 0.0000 0.0108 0.0108 772 CYS 49 HB2 0.0009 0.0073 0.0087 773 CYS 49 SG -0.0017 0.0152 0.0232 774 CYS 49 HG1 -0.0015 0.0124 0.0293 775 CYS 49 C 0.0020 -0.0019 0.0239 776 CYS 49 O 0.0006 0.0024 0.0311 777 GLY 50 N 0.0085 0.0028 0.0097 778 GLY 50 HN 0.0079 0.0035 0.0111 779 GLY 50 CA 0.0092 0.0044 0.0092 780 GLY 50 HA1 0.0102 0.0045 0.0073 781 GLY 50 HA2 0.0091 0.0063 0.0102 782 GLY 50 C 0.0085 0.0034 0.0100 783 GLY 50 O 0.0091 0.0041 0.0092 784 LYS 51 N 0.0056 0.0015 0.0047 785 LYS 51 HN 0.0054 0.0015 0.0061 786 LYS 51 CA 0.0042 -0.0022 0.0067 787 LYS 51 HA 0.0045 -0.0029 0.0039 788 LYS 51 CB 0.0025 -0.0075 0.0078 789 LYS 51 HB1 0.0014 -0.0104 0.0091 790 LYS 51 HB2 0.0020 -0.0069 0.0112 791 LYS 51 CG 0.0027 -0.0101 0.0029 792 LYS 51 HG1 0.0015 -0.0135 0.0044 793 LYS 51 HG2 0.0038 -0.0072 0.0013 794 LYS 51 CD 0.0029 -0.0123 -0.0016 795 LYS 51 HD1 0.0041 -0.0090 -0.0029 796 LYS 51 HD2 0.0017 -0.0153 0.0001 797 LYS 51 CE 0.0032 -0.0146 -0.0065 798 LYS 51 HE1 0.0022 -0.0174 -0.0051 799 LYS 51 HE2 0.0045 -0.0114 -0.0087 800 LYS 51 NZ 0.0030 -0.0177 -0.0103 801 LYS 51 HZ1 0.0034 -0.0189 -0.0138 802 LYS 51 HZ2 0.0018 -0.0210 -0.0084 803 LYS 51 HZ3 0.0039 -0.0154 -0.0114 804 LYS 51 C 0.0039 0.0003 0.0120 805 LYS 51 O 0.0039 0.0026 0.0154 806 TYR 52 N 0.0057 0.0052 0.0079 807 TYR 52 HN 0.0076 0.0061 0.0084 808 TYR 52 CA 0.0038 0.0071 0.0068 809 TYR 52 HA 0.0024 0.0058 0.0066 810 TYR 52 CB 0.0057 0.0095 0.0069 811 TYR 52 HB1 0.0043 0.0113 0.0059 812 TYR 52 HB2 0.0075 0.0106 0.0073 813 TYR 52 CG 0.0069 0.0081 0.0077 814 TYR 52 CD1 0.0093 0.0064 0.0089 815 TYR 52 HD1 0.0103 0.0060 0.0094 816 TYR 52 CE1 0.0105 0.0052 0.0097 817 TYR 52 HE1 0.0123 0.0038 0.0107 818 TYR 52 CZ 0.0093 0.0057 0.0091 819 TYR 52 OH 0.0104 0.0044 0.0098 820 TYR 52 HH 0.0094 0.0051 0.0093 821 TYR 52 CD2 0.0058 0.0087 0.0071 822 TYR 52 HD2 0.0039 0.0100 0.0061 823 TYR 52 CE2 0.0069 0.0075 0.0078 824 TYR 52 HE2 0.0060 0.0079 0.0074 825 TYR 52 C 0.0019 0.0087 0.0057 826 TYR 52 O 0.0029 0.0099 0.0058 827 LEU 53 N 0.0041 0.0097 0.0044 828 LEU 53 HN 0.0025 0.0095 0.0045 829 LEU 53 CA 0.0030 0.0106 0.0037 830 LEU 53 HA 0.0042 0.0096 0.0045 831 LEU 53 CB -0.0005 0.0101 0.0041 832 LEU 53 HB1 -0.0012 0.0112 0.0033 833 LEU 53 HB2 -0.0018 0.0108 0.0036 834 LEU 53 CG -0.0013 0.0074 0.0061 835 LEU 53 HG 0.0003 0.0067 0.0067 836 LEU 53 CD1 -0.0011 0.0057 0.0074 837 LEU 53 HD11 -0.0018 0.0038 0.0089 838 LEU 53 HD12 0.0013 0.0056 0.0075 839 LEU 53 HD13 -0.0026 0.0063 0.0069 840 LEU 53 CD2 -0.0046 0.0072 0.0062 841 LEU 53 HD21 -0.0048 0.0084 0.0054 842 LEU 53 HD22 -0.0051 0.0053 0.0077 843 LEU 53 HD23 -0.0063 0.0079 0.0057 844 LEU 53 C 0.0038 0.0132 0.0017 845 LEU 53 O 0.0035 0.0148 0.0005 846 SER 54 N 0.0057 0.0208 -0.0046 847 SER 54 HN 0.0057 0.0168 -0.0027 848 SER 54 CA 0.0064 0.0214 -0.0064 849 SER 54 HA 0.0056 0.0261 -0.0071 850 SER 54 CB 0.0098 0.0181 -0.0116 851 SER 54 HB1 0.0106 0.0133 -0.0107 852 SER 54 HB2 0.0110 0.0201 -0.0149 853 SER 54 OG 0.0106 0.0188 -0.0135 854 SER 54 HG1 0.0105 0.0229 -0.0154 855 SER 54 C 0.0048 0.0185 -0.0016 856 SER 54 O 0.0042 0.0144 0.0016 857 ILE 55 N 0.0147 0.0126 -0.0029 858 ILE 55 HN 0.0142 0.0123 -0.0035 859 ILE 55 CA 0.0160 0.0105 -0.0008 860 ILE 55 HA 0.0167 0.0114 -0.0002 861 ILE 55 CB 0.0179 0.0103 0.0015 862 ILE 55 HB 0.0173 0.0089 0.0011 863 ILE 55 CG2 0.0189 0.0136 0.0019 864 ILE 55 HG21 0.0193 0.0152 0.0021 865 ILE 55 HG22 0.0178 0.0147 0.0003 866 ILE 55 HG23 0.0203 0.0136 0.0036 867 ILE 55 CG1 0.0196 0.0086 0.0039 868 ILE 55 HG11 0.0190 0.0060 0.0038 869 ILE 55 HG12 0.0210 0.0091 0.0054 870 ILE 55 CD 0.0202 0.0097 0.0043 871 ILE 55 HD1 0.0188 0.0089 0.0029 872 ILE 55 HD2 0.0206 0.0123 0.0043 873 ILE 55 HD3 0.0215 0.0086 0.0062 874 ILE 55 C 0.0147 0.0073 -0.0016 875 ILE 55 O 0.0155 0.0051 -0.0001 876 GLY 56 N 0.0087 0.0122 -0.0111 877 GLY 56 HN 0.0107 0.0162 -0.0147 878 GLY 56 CA 0.0023 0.0063 -0.0135 879 GLY 56 HA1 0.0000 0.0057 -0.0173 880 GLY 56 HA2 0.0017 0.0071 -0.0166 881 GLY 56 C -0.0005 -0.0001 -0.0071 882 GLY 56 O 0.0020 -0.0004 -0.0009 883 ASP 57 N -0.0881 -0.0698 0.0095 884 ASP 57 HN -0.0709 -0.0699 0.0542 885 ASP 57 CA -0.0491 -0.0341 -0.0371 886 ASP 57 HA -0.0633 -0.0332 -0.0775 887 ASP 57 CB 0.0085 -0.0057 -0.0058 888 ASP 57 HB1 0.0398 0.0221 -0.0397 889 ASP 57 HB2 0.0232 -0.0067 0.0360 890 ASP 57 CG 0.0078 -0.0120 0.0182 891 ASP 57 OD1 -0.0337 -0.0339 0.0016 892 ASP 57 OD2 0.0508 0.0067 0.0520 893 ASP 57 C -0.0408 -0.0230 -0.0614 894 ASP 57 O -0.0023 0.0083 -0.0913 895 HIS 58 N -0.0435 -0.0332 -0.0024 896 HIS 58 HN -0.0432 -0.0226 -0.0050 897 HIS 58 CA -0.0255 -0.0268 0.0021 898 HIS 58 HA -0.0194 -0.0439 0.0086 899 HIS 58 CB -0.0371 -0.0125 -0.0055 900 HIS 58 HB1 -0.0466 0.0031 -0.0127 901 HIS 58 HB2 -0.0513 -0.0256 -0.0071 902 HIS 58 CD2 -0.0179 0.0218 -0.0076 903 HIS 58 HD2 -0.0271 0.0381 -0.0149 904 HIS 58 CG -0.0205 -0.0019 -0.0025 905 HIS 58 NE2 -0.0007 0.0215 -0.0016 906 HIS 58 HE2 0.0046 0.0356 -0.0034 907 HIS 58 ND1 -0.0051 -0.0169 0.0066 908 HIS 58 HD1 -0.0032 -0.0351 0.0119 909 HIS 58 CE1 0.0063 -0.0023 0.0068 910 HIS 58 HE1 0.0194 -0.0083 0.0128 911 HIS 58 C -0.0024 -0.0120 0.0063 912 HIS 58 O -0.0007 -0.0038 0.0048 913 LYS 59 N 0.0328 0.0088 -0.0012 914 LYS 59 HN 0.0274 0.0047 -0.0009 915 LYS 59 CA 0.0258 0.0086 0.0018 916 LYS 59 HA 0.0282 0.0185 0.0056 917 LYS 59 CB 0.0103 0.0048 0.0067 918 LYS 59 HB1 0.0053 0.0038 0.0085 919 LYS 59 HB2 0.0080 -0.0052 0.0028 920 LYS 59 CG 0.0040 0.0144 0.0144 921 LYS 59 HG1 -0.0071 0.0111 0.0177 922 LYS 59 HG2 0.0071 0.0135 0.0125 923 LYS 59 CD 0.0078 0.0289 0.0199 924 LYS 59 HD1 0.0019 0.0347 0.0255 925 LYS 59 HD2 0.0186 0.0323 0.0168 926 LYS 59 CE 0.0064 0.0322 0.0222 927 LYS 59 HE1 0.0089 0.0430 0.0265 928 LYS 59 HE2 0.0133 0.0275 0.0168 929 LYS 59 NZ -0.0074 0.0275 0.0260 930 LYS 59 HZ1 -0.0143 0.0310 0.0309 931 LYS 59 HZ2 -0.0095 0.0173 0.0218 932 LYS 59 HZ3 -0.0082 0.0305 0.0279 933 LYS 59 C 0.0299 -0.0001 -0.0044 934 LYS 59 O 0.0297 0.0033 -0.0026 935 GLN 60 N 0.0085 0.0056 -0.0031 936 GLN 60 HN 0.0074 0.0075 -0.0019 937 GLN 60 CA 0.0080 0.0076 -0.0024 938 GLN 60 HA 0.0101 0.0063 -0.0046 939 GLN 60 CB 0.0080 0.0135 -0.0020 940 GLN 60 HB1 0.0078 0.0147 -0.0017 941 GLN 60 HB2 0.0055 0.0149 0.0006 942 GLN 60 CG 0.0115 0.0164 -0.0052 943 GLN 60 HG1 0.0115 0.0205 -0.0049 944 GLN 60 HG2 0.0112 0.0162 -0.0050 945 GLN 60 CD 0.0151 0.0141 -0.0089 946 GLN 60 OE1 0.0167 0.0114 -0.0107 947 GLN 60 NE2 0.0166 0.0153 -0.0103 948 GLN 60 HE21 0.0152 0.0172 -0.0088 949 GLN 60 HE22 0.0191 0.0142 -0.0129 950 GLN 60 C 0.0043 0.0053 0.0010 951 GLN 60 O 0.0016 0.0049 0.0036 952 VAL 61 N 0.0070 -0.0003 0.0065 953 VAL 61 HN 0.0074 0.0000 0.0068 954 VAL 61 CA 0.0058 -0.0003 0.0065 955 VAL 61 HA 0.0055 -0.0010 0.0059 956 VAL 61 CB 0.0054 0.0002 0.0068 957 VAL 61 HB 0.0058 0.0009 0.0073 958 VAL 61 CG1 0.0041 0.0003 0.0068 959 VAL 61 HG11 0.0037 -0.0004 0.0063 960 VAL 61 HG12 0.0039 0.0006 0.0070 961 VAL 61 HG13 0.0037 0.0007 0.0071 962 VAL 61 CG2 0.0059 -0.0004 0.0064 963 VAL 61 HG21 0.0056 -0.0001 0.0066 964 VAL 61 HG22 0.0056 -0.0011 0.0058 965 VAL 61 HG23 0.0068 -0.0004 0.0064 966 VAL 61 C 0.0051 0.0001 0.0067 967 VAL 61 O 0.0053 0.0009 0.0073 968 TYR 62 N -0.0035 -0.0101 0.0283 969 TYR 62 HN -0.0032 -0.0010 0.0291 970 TYR 62 CA -0.0030 -0.0171 0.0074 971 TYR 62 HA -0.0035 -0.0296 0.0086 972 TYR 62 CB -0.0029 -0.0258 -0.0044 973 TYR 62 HB1 -0.0022 -0.0128 -0.0098 974 TYR 62 HB2 -0.0037 -0.0359 0.0068 975 TYR 62 CG -0.0027 -0.0395 -0.0227 976 TYR 62 CD1 -0.0016 -0.0322 -0.0438 977 TYR 62 HD1 -0.0009 -0.0163 -0.0470 978 TYR 62 CE1 -0.0015 -0.0452 -0.0605 979 TYR 62 HE1 -0.0007 -0.0395 -0.0767 980 TYR 62 CZ -0.0025 -0.0656 -0.0564 981 TYR 62 OH -0.0023 -0.0781 -0.0736 982 TYR 62 HH -0.0029 -0.0882 -0.0681 983 TYR 62 CD2 -0.0037 -0.0602 -0.0189 984 TYR 62 HD2 -0.0046 -0.0661 -0.0028 985 TYR 62 CE2 -0.0036 -0.0732 -0.0357 986 TYR 62 HE2 -0.0043 -0.0890 -0.0326 987 TYR 62 C -0.0018 0.0012 -0.0042 988 TYR 62 O -0.0012 0.0197 -0.0009 989 LEU 63 N -0.0020 -0.0081 0.0059 990 LEU 63 HN -0.0010 -0.0110 0.0059 991 LEU 63 CA -0.0025 -0.0056 0.0044 992 LEU 63 HA -0.0036 -0.0026 0.0044 993 LEU 63 CB -0.0028 -0.0064 0.0069 994 LEU 63 HB1 -0.0016 -0.0091 0.0060 995 LEU 63 HB2 -0.0033 -0.0071 0.0102 996 LEU 63 CG -0.0040 -0.0030 0.0067 997 LEU 63 HG -0.0036 -0.0019 0.0035 998 LEU 63 CD1 -0.0057 0.0005 0.0091 999 LEU 63 HD11 -0.0060 -0.0005 0.0123 1000 LEU 63 HD12 -0.0065 0.0029 0.0089 1001 LEU 63 HD13 -0.0058 0.0016 0.0079 1002 LEU 63 CD2 -0.0038 -0.0044 0.0083 1003 LEU 63 HD21 -0.0047 -0.0019 0.0084 1004 LEU 63 HD22 -0.0040 -0.0059 0.0114 1005 LEU 63 HD23 -0.0026 -0.0066 0.0063 1006 LEU 63 C -0.0013 -0.0065 0.0000 1007 LEU 63 O 0.0001 -0.0099 -0.0009 1008 SER 64 N -0.0018 -0.0087 -0.0081 1009 SER 64 HN -0.0044 -0.0062 -0.0076 1010 SER 64 CA 0.0016 -0.0079 -0.0119 1011 SER 64 HA 0.0040 -0.0102 -0.0123 1012 SER 64 CB 0.0008 -0.0035 -0.0147 1013 SER 64 HB1 -0.0019 -0.0011 -0.0141 1014 SER 64 HB2 0.0002 -0.0034 -0.0142 1015 SER 64 OG 0.0040 -0.0023 -0.0186 1016 SER 64 HG1 0.0037 -0.0011 -0.0194 1017 SER 64 C 0.0030 -0.0082 -0.0129 1018 SER 64 O 0.0006 -0.0074 -0.0114 1019 HIS 65 N -0.0003 -0.0214 -0.0228 1020 HIS 65 HN -0.0016 -0.0161 -0.0211 1021 HIS 65 CA -0.0060 -0.0248 -0.0113 1022 HIS 65 HA -0.0040 -0.0278 -0.0146 1023 HIS 65 CB -0.0120 -0.0114 -0.0021 1024 HIS 65 HB1 -0.0143 -0.0083 0.0018 1025 HIS 65 HB2 -0.0098 -0.0016 -0.0079 1026 HIS 65 CD2 -0.0244 -0.0166 0.0226 1027 HIS 65 HD2 -0.0271 -0.0160 0.0276 1028 HIS 65 CG -0.0177 -0.0148 0.0094 1029 HIS 65 NE2 -0.0274 -0.0201 0.0288 1030 HIS 65 HE2 -0.0322 -0.0227 0.0385 1031 HIS 65 ND1 -0.0163 -0.0169 0.0072 1032 HIS 65 HD1 -0.0119 -0.0160 -0.0015 1033 HIS 65 CE1 -0.0223 -0.0202 0.0191 1034 HIS 65 HE1 -0.0232 -0.0230 0.0212 1035 HIS 65 C -0.0090 -0.0382 -0.0035 1036 HIS 65 O -0.0117 -0.0376 0.0017 1037 HIS 66 N -0.0021 -0.0060 -0.0021 1038 HIS 66 HN 0.0030 -0.0013 -0.0106 1039 HIS 66 CA 0.0044 -0.0155 0.0080 1040 HIS 66 HA 0.0139 -0.0149 0.0034 1041 HIS 66 CB -0.0059 -0.0186 0.0162 1042 HIS 66 HB1 0.0001 -0.0257 0.0233 1043 HIS 66 HB2 -0.0159 -0.0193 0.0211 1044 HIS 66 CD2 -0.0235 -0.0094 0.0110 1045 HIS 66 HD2 -0.0332 -0.0120 0.0182 1046 HIS 66 CG -0.0107 -0.0119 0.0091 1047 HIS 66 NE2 -0.0220 -0.0031 0.0018 1048 HIS 66 HE2 -0.0291 -0.0005 0.0012 1049 HIS 66 ND1 -0.0012 -0.0071 -0.0011 1050 HIS 66 HD1 0.0091 -0.0075 -0.0047 1051 HIS 66 CE1 -0.0084 -0.0019 -0.0051 1052 HIS 66 HE1 -0.0040 0.0027 -0.0131 1053 HIS 66 C 0.0114 -0.0231 0.0153 1054 HIS 66 O 0.0104 -0.0212 0.0132 1055 LEU 67 N 0.0103 0.0080 0.0119 1056 LEU 67 HN 0.0111 0.0065 0.0135 1057 LEU 67 CA 0.0081 0.0103 0.0088 1058 LEU 67 HA 0.0061 0.0097 0.0073 1059 LEU 67 CB 0.0063 0.0086 0.0080 1060 LEU 67 HB1 0.0082 0.0091 0.0095 1061 LEU 67 HB2 0.0051 0.0053 0.0087 1062 LEU 67 CG 0.0035 0.0104 0.0046 1063 LEU 67 HG 0.0047 0.0135 0.0041 1064 LEU 67 CD1 0.0010 0.0108 0.0022 1065 LEU 67 HD11 0.0024 0.0132 0.0022 1066 LEU 67 HD12 -0.0000 0.0078 0.0028 1067 LEU 67 HD13 -0.0011 0.0117 -0.0002 1068 LEU 67 CD2 0.0014 0.0077 0.0040 1069 LEU 67 HD21 -0.0006 0.0090 0.0016 1070 LEU 67 HD22 0.0000 0.0046 0.0044 1071 LEU 67 HD23 0.0030 0.0074 0.0057 1072 LEU 67 C 0.0098 0.0149 0.0080 1073 LEU 67 O 0.0120 0.0166 0.0090 1074 HIS 68 N 0.0084 0.0185 -0.0070 1075 HIS 68 HN 0.0099 0.0203 -0.0128 1076 HIS 68 CA 0.0051 0.0206 -0.0038 1077 HIS 68 HA 0.0012 0.0224 0.0013 1078 HIS 68 CB 0.0034 0.0268 -0.0098 1079 HIS 68 HB1 0.0073 0.0253 -0.0151 1080 HIS 68 HB2 0.0010 0.0313 -0.0116 1081 HIS 68 CD2 -0.0003 0.0317 -0.0096 1082 HIS 68 HD2 0.0027 0.0314 -0.0152 1083 HIS 68 CG -0.0005 0.0298 -0.0064 1084 HIS 68 NE2 -0.0050 0.0341 -0.0040 1085 HIS 68 HE2 -0.0058 0.0351 -0.0038 1086 HIS 68 ND1 -0.0051 0.0310 0.0010 1087 HIS 68 HD1 -0.0063 0.0301 0.0046 1088 HIS 68 CE1 -0.0077 0.0335 0.0022 1089 HIS 68 HE1 -0.0115 0.0350 0.0075 1090 HIS 68 C 0.0082 0.0146 -0.0008 1091 HIS 68 O 0.0135 0.0098 -0.0041 1092 GLY 69 N -0.0050 0.0383 0.0217 1093 GLY 69 HN -0.0104 0.0563 0.0322 1094 GLY 69 CA -0.0027 0.0186 0.0211 1095 GLY 69 HA1 -0.0087 0.0247 0.0365 1096 GLY 69 HA2 -0.0017 -0.0029 0.0243 1097 GLY 69 C 0.0062 0.0193 -0.0052 1098 GLY 69 O 0.0122 -0.0030 -0.0161 1099 ASP 70 N 0.0020 0.0052 -0.0080 1100 ASP 70 HN -0.0092 0.0104 -0.0110 1101 ASP 70 CA 0.0165 -0.0006 -0.0045 1102 ASP 70 HA 0.0212 -0.0127 0.0018 1103 ASP 70 CB 0.0089 -0.0031 -0.0035 1104 ASP 70 HB1 0.0192 -0.0097 0.0002 1105 ASP 70 HB2 0.0055 0.0090 -0.0097 1106 ASP 70 CG -0.0088 -0.0141 0.0013 1107 ASP 70 OD1 -0.0070 -0.0291 0.0089 1108 ASP 70 OD2 -0.0244 -0.0072 -0.0029 1109 ASP 70 C 0.0334 0.0115 -0.0098 1110 ASP 70 O 0.0319 0.0266 -0.0175 1111 HIS 71 N 0.0061 -0.0008 -0.0136 1112 HIS 71 HN 0.0072 -0.0141 -0.0122 1113 HIS 71 CA 0.0211 0.0105 -0.0039 1114 HIS 71 HA 0.0265 0.0083 -0.0002 1115 HIS 71 CB 0.0329 0.0021 0.0044 1116 HIS 71 HB1 0.0448 0.0095 0.0121 1117 HIS 71 HB2 0.0280 0.0035 0.0011 1118 HIS 71 CD2 0.0320 -0.0348 0.0054 1119 HIS 71 HD2 0.0266 -0.0356 0.0018 1120 HIS 71 CG 0.0355 -0.0190 0.0071 1121 HIS 71 NE2 0.0367 -0.0506 0.0093 1122 HIS 71 HE2 0.0353 -0.0644 0.0089 1123 HIS 71 ND1 0.0423 -0.0245 0.0119 1124 HIS 71 HD1 0.0461 -0.0159 0.0141 1125 HIS 71 CE1 0.0428 -0.0436 0.0130 1126 HIS 71 HE1 0.0475 -0.0529 0.0167 1127 HIS 71 C 0.0204 0.0325 -0.0053 1128 HIS 71 O 0.0266 0.0410 -0.0016 1129 SER 72 N 0.0090 0.0188 -0.0075 1130 SER 72 HN 0.0080 0.0177 -0.0083 1131 SER 72 CA 0.0076 0.0193 -0.0052 1132 SER 72 HA 0.0088 0.0203 -0.0049 1133 SER 72 CB 0.0068 0.0202 -0.0026 1134 SER 72 HB1 0.0059 0.0207 -0.0009 1135 SER 72 HB2 0.0053 0.0191 -0.0028 1136 SER 72 OG 0.0088 0.0220 -0.0021 1137 SER 72 HG1 0.0092 0.0215 -0.0033 1138 SER 72 C 0.0052 0.0174 -0.0056 1139 SER 72 O 0.0037 0.0175 -0.0037 1140 LEU 73 N -0.0011 -0.0005 -0.0058 1141 LEU 73 HN 0.0000 -0.0033 -0.0058 1142 LEU 73 CA 0.0004 -0.0012 -0.0059 1143 LEU 73 HA -0.0011 0.0019 -0.0059 1144 LEU 73 CB -0.0016 -0.0063 -0.0056 1145 LEU 73 HB1 -0.0011 -0.0062 -0.0056 1146 LEU 73 HB2 0.0006 -0.0095 -0.0056 1147 LEU 73 CG -0.0073 -0.0076 -0.0054 1148 LEU 73 HG -0.0080 -0.0077 -0.0053 1149 LEU 73 CD1 -0.0086 -0.0128 -0.0051 1150 LEU 73 HD11 -0.0127 -0.0138 -0.0049 1151 LEU 73 HD12 -0.0061 -0.0158 -0.0051 1152 LEU 73 HD13 -0.0082 -0.0128 -0.0051 1153 LEU 73 CD2 -0.0109 -0.0035 -0.0054 1154 LEU 73 HD21 -0.0102 0.0003 -0.0055 1155 LEU 73 HD22 -0.0150 -0.0045 -0.0052 1156 LEU 73 HD23 -0.0105 -0.0032 -0.0054 1157 LEU 73 C 0.0062 -0.0012 -0.0061 1158 LEU 73 O 0.0089 -0.0037 -0.0061 1159 PHE 74 N -0.0009 0.0020 -0.0053 1160 PHE 74 HN -0.0017 0.0016 -0.0041 1161 PHE 74 CA 0.0001 0.0020 -0.0070 1162 PHE 74 HA 0.0010 0.0025 -0.0082 1163 PHE 74 CB 0.0005 0.0035 -0.0065 1164 PHE 74 HB1 0.0012 0.0034 -0.0078 1165 PHE 74 HB2 -0.0004 0.0032 -0.0052 1166 PHE 74 CG 0.0012 0.0058 -0.0060 1167 PHE 74 CD1 0.0005 0.0067 -0.0040 1168 PHE 74 HD1 -0.0006 0.0058 -0.0029 1169 PHE 74 CE1 0.0012 0.0088 -0.0035 1170 PHE 74 HE1 0.0006 0.0095 -0.0020 1171 PHE 74 CZ 0.0026 0.0100 -0.0050 1172 PHE 74 HZ 0.0031 0.0117 -0.0046 1173 PHE 74 CD2 0.0026 0.0070 -0.0075 1174 PHE 74 HD2 0.0032 0.0063 -0.0090 1175 PHE 74 CE2 0.0033 0.0091 -0.0070 1176 PHE 74 HE2 0.0043 0.0100 -0.0081 1177 PHE 74 C -0.0003 -0.0001 -0.0080 1178 PHE 74 O -0.0015 -0.0016 -0.0071 1179 HIS 75 N -0.0042 -0.0053 -0.0017 1180 HIS 75 HN -0.0070 -0.0050 -0.0024 1181 HIS 75 CA 0.0012 -0.0059 -0.0009 1182 HIS 75 HA 0.0040 -0.0061 -0.0009 1183 HIS 75 CB 0.0014 -0.0069 0.0046 1184 HIS 75 HB1 -0.0016 -0.0066 0.0047 1185 HIS 75 HB2 0.0002 -0.0073 0.0077 1186 HIS 75 CD2 0.0116 -0.0076 0.0040 1187 HIS 75 HD2 0.0131 -0.0070 0.0003 1188 HIS 75 CG 0.0067 -0.0076 0.0063 1189 HIS 75 NE2 0.0148 -0.0084 0.0074 1190 HIS 75 HE2 0.0187 -0.0086 0.0068 1191 HIS 75 ND1 0.0068 -0.0084 0.0111 1192 HIS 75 HD1 0.0037 -0.0086 0.0137 1193 HIS 75 CE1 0.0118 -0.0089 0.0116 1194 HIS 75 HE1 0.0133 -0.0096 0.0150 1195 HIS 75 C 0.0028 -0.0053 -0.0053 1196 HIS 75 O 0.0000 -0.0048 -0.0065 1197 LEU 76 N 0.0002 -0.0027 -0.0097 1198 LEU 76 HN 0.0009 -0.0026 -0.0096 1199 LEU 76 CA 0.0005 -0.0027 -0.0105 1200 LEU 76 HA -0.0003 -0.0029 -0.0108 1201 LEU 76 CB 0.0014 -0.0027 -0.0116 1202 LEU 76 HB1 0.0015 -0.0027 -0.0122 1203 LEU 76 HB2 0.0023 -0.0025 -0.0112 1204 LEU 76 CG 0.0009 -0.0028 -0.0123 1205 LEU 76 HG 0.0008 -0.0028 -0.0117 1206 LEU 76 CD1 0.0019 -0.0027 -0.0132 1207 LEU 76 HD11 0.0022 -0.0027 -0.0139 1208 LEU 76 HD12 0.0016 -0.0028 -0.0138 1209 LEU 76 HD13 0.0027 -0.0025 -0.0127 1210 LEU 76 CD2 -0.0002 -0.0031 -0.0130 1211 LEU 76 HD21 -0.0010 -0.0032 -0.0123 1212 LEU 76 HD22 -0.0005 -0.0032 -0.0135 1213 LEU 76 HD23 -0.0001 -0.0031 -0.0136 1214 LEU 76 C 0.0012 -0.0025 -0.0098 1215 LEU 76 O 0.0022 -0.0023 -0.0093 1216 GLU 77 N -0.0096 -0.0075 -0.0054 1217 GLU 77 HN -0.0106 -0.0075 -0.0059 1218 GLU 77 CA -0.0083 -0.0076 -0.0046 1219 GLU 77 HA -0.0074 -0.0077 -0.0038 1220 GLU 77 CB -0.0090 -0.0081 -0.0034 1221 GLU 77 HB1 -0.0079 -0.0081 -0.0028 1222 GLU 77 HB2 -0.0099 -0.0080 -0.0041 1223 GLU 77 CG -0.0100 -0.0086 -0.0020 1224 GLU 77 HG1 -0.0113 -0.0086 -0.0024 1225 GLU 77 HG2 -0.0093 -0.0086 -0.0016 1226 GLU 77 CD -0.0101 -0.0091 -0.0004 1227 GLU 77 OE1 -0.0111 -0.0092 -0.0004 1228 GLU 77 OE2 -0.0094 -0.0094 0.0009 1229 GLU 77 C -0.0073 -0.0070 -0.0059 1230 GLU 77 O -0.0079 -0.0068 -0.0069 1231 HIS 78 N -0.0030 0.0069 -0.0066 1232 HIS 78 HN -0.0024 0.0093 -0.0075 1233 HIS 78 CA -0.0039 0.0061 -0.0056 1234 HIS 78 HA -0.0041 0.0032 -0.0052 1235 HIS 78 CB -0.0023 0.0075 -0.0075 1236 HIS 78 HB1 -0.0032 0.0077 -0.0065 1237 HIS 78 HB2 -0.0018 0.0103 -0.0083 1238 HIS 78 CD2 0.0024 0.0054 -0.0125 1239 HIS 78 HD2 0.0031 0.0075 -0.0135 1240 HIS 78 CG 0.0000 0.0051 -0.0098 1241 HIS 78 NE2 0.0039 0.0026 -0.0139 1242 HIS 78 HE2 0.0057 0.0021 -0.0158 1243 HIS 78 ND1 0.0001 0.0020 -0.0096 1244 HIS 78 HD1 -0.0014 0.0011 -0.0080 1245 HIS 78 CE1 0.0024 0.0006 -0.0121 1246 HIS 78 HE1 0.0030 -0.0018 -0.0126 1247 HIS 78 C -0.0065 0.0078 -0.0029 1248 HIS 78 O -0.0069 0.0110 -0.0027 1249 HIS 79 N -0.0111 0.0165 -0.0014 1250 HIS 79 HN -0.0128 0.0202 -0.0027 1251 HIS 79 CA 0.0004 0.0219 0.0063 1252 HIS 79 HA -0.0006 0.0220 0.0056 1253 HIS 79 CB 0.0119 0.0124 0.0145 1254 HIS 79 HB1 0.0207 0.0180 0.0204 1255 HIS 79 HB2 0.0123 0.0114 0.0148 1256 HIS 79 CD2 0.0122 -0.0168 0.0156 1257 HIS 79 HD2 0.0113 -0.0194 0.0151 1258 HIS 79 CG 0.0121 -0.0032 0.0151 1259 HIS 79 NE2 0.0144 -0.0274 0.0175 1260 HIS 79 HE2 0.0151 -0.0386 0.0183 1261 HIS 79 ND1 0.0145 -0.0050 0.0168 1262 HIS 79 HD1 0.0151 0.0031 0.0170 1263 HIS 79 CE1 0.0157 -0.0197 0.0181 1264 HIS 79 HE1 0.0174 -0.0251 0.0195 1265 HIS 79 C 0.0036 0.0377 0.0080 1266 HIS 79 O 0.0057 0.0403 0.0094 1267 GLY 80 N -0.0336 -0.0186 -0.0157 1268 GLY 80 HN -0.0467 -0.0225 -0.0284 1269 GLY 80 CA -0.0404 -0.0062 0.0084 1270 GLY 80 HA1 -0.0269 -0.0044 0.0169 1271 GLY 80 HA2 -0.0598 -0.0035 0.0078 1272 GLY 80 C -0.0399 0.0003 0.0226 1273 GLY 80 O -0.0517 -0.0013 0.0152 1274 GLY 81 N 0.0025 -0.0336 -0.0216 1275 GLY 81 HN -0.0125 -0.0364 -0.0360 1276 GLY 81 CA 0.0103 -0.0393 -0.0184 1277 GLY 81 HA1 0.0029 -0.0538 -0.0333 1278 GLY 81 HA2 0.0295 -0.0465 -0.0064 1279 GLY 81 C 0.0019 -0.0153 -0.0112 1280 GLY 81 O 0.0098 -0.0159 -0.0049 1281 LYS 82 N 0.0052 0.0055 -0.0034 1282 LYS 82 HN 0.0058 0.0067 -0.0015 1283 LYS 82 CA 0.0034 0.0032 -0.0030 1284 LYS 82 HA 0.0026 0.0018 -0.0046 1285 LYS 82 CB 0.0023 0.0024 0.0002 1286 LYS 82 HB1 0.0009 0.0006 0.0005 1287 LYS 82 HB2 0.0031 0.0038 0.0019 1288 LYS 82 CG 0.0021 0.0022 0.0010 1289 LYS 82 HG1 0.0034 0.0039 0.0005 1290 LYS 82 HG2 0.0012 0.0007 -0.0006 1291 LYS 82 CD 0.0012 0.0017 0.0043 1292 LYS 82 HD1 -0.0002 -0.0001 0.0048 1293 LYS 82 HD2 0.0021 0.0032 0.0058 1294 LYS 82 CE 0.0012 0.0019 0.0052 1295 LYS 82 HE1 0.0007 0.0017 0.0076 1296 LYS 82 HE2 0.0027 0.0038 0.0048 1297 LYS 82 NZ 0.0001 0.0001 0.0034 1298 LYS 82 HZ1 -0.0013 -0.0017 0.0036 1299 LYS 82 HZ2 0.0006 0.0003 0.0010 1300 LYS 82 HZ3 0.0000 0.0001 0.0041 1301 LYS 82 C 0.0035 0.0031 -0.0036 1302 LYS 82 O 0.0047 0.0049 -0.0029 1303 VAL 83 N -0.0039 -0.0012 -0.0031 1304 VAL 83 HN -0.0042 -0.0024 -0.0032 1305 VAL 83 CA -0.0031 -0.0006 -0.0036 1306 VAL 83 HA -0.0030 0.0007 -0.0032 1307 VAL 83 CB -0.0016 -0.0008 -0.0048 1308 VAL 83 HB -0.0013 -0.0002 -0.0050 1309 VAL 83 CG1 -0.0015 -0.0026 -0.0055 1310 VAL 83 HG11 -0.0004 -0.0027 -0.0064 1311 VAL 83 HG12 -0.0021 -0.0032 -0.0052 1312 VAL 83 HG13 -0.0018 -0.0032 -0.0055 1313 VAL 83 CG2 -0.0008 0.0002 -0.0053 1314 VAL 83 HG21 0.0003 0.0002 -0.0061 1315 VAL 83 HG22 -0.0010 -0.0004 -0.0052 1316 VAL 83 HG23 -0.0009 0.0015 -0.0048 1317 VAL 83 C -0.0036 -0.0013 -0.0033 1318 VAL 83 O -0.0042 -0.0027 -0.0034 1319 SER 84 N -0.0128 0.0001 -0.0025 1320 SER 84 HN -0.0118 0.0021 -0.0022 1321 SER 84 CA -0.0140 0.0001 -0.0019 1322 SER 84 HA -0.0150 -0.0022 -0.0024 1323 SER 84 CB -0.0165 0.0021 0.0001 1324 SER 84 HB1 -0.0156 0.0046 0.0007 1325 SER 84 HB2 -0.0182 0.0013 0.0006 1326 SER 84 OG -0.0180 0.0019 0.0008 1327 SER 84 HG1 -0.0196 0.0030 0.0021 1328 SER 84 C -0.0115 0.0013 -0.0027 1329 SER 84 O -0.0094 0.0033 -0.0030 1330 ILE 85 N -0.0093 0.0024 -0.0055 1331 ILE 85 HN -0.0101 0.0018 -0.0054 1332 ILE 85 CA -0.0078 0.0027 -0.0056 1333 ILE 85 HA -0.0069 0.0032 -0.0057 1334 ILE 85 CB -0.0071 0.0012 -0.0059 1335 ILE 85 HB -0.0079 0.0008 -0.0058 1336 ILE 85 CG2 -0.0054 0.0015 -0.0060 1337 ILE 85 HG21 -0.0049 0.0004 -0.0062 1338 ILE 85 HG22 -0.0053 0.0024 -0.0059 1339 ILE 85 HG23 -0.0046 0.0019 -0.0061 1340 ILE 85 CG1 -0.0072 -0.0003 -0.0060 1341 ILE 85 HG11 -0.0067 -0.0014 -0.0062 1342 ILE 85 HG12 -0.0085 -0.0006 -0.0059 1343 ILE 85 CD -0.0063 -0.0002 -0.0061 1344 ILE 85 HD1 -0.0066 -0.0012 -0.0062 1345 ILE 85 HD2 -0.0050 -0.0001 -0.0063 1346 ILE 85 HD3 -0.0066 0.0010 -0.0060 1347 ILE 85 C -0.0080 0.0040 -0.0055 1348 ILE 85 O -0.0089 0.0037 -0.0054 1349 LYS 86 N -0.0074 -0.0017 -0.0067 1350 LYS 86 HN -0.0058 -0.0026 -0.0060 1351 LYS 86 CA -0.0084 0.0009 -0.0055 1352 LYS 86 HA -0.0099 0.0018 -0.0062 1353 LYS 86 CB -0.0090 0.0017 -0.0054 1354 LYS 86 HB1 -0.0101 0.0009 -0.0073 1355 LYS 86 HB2 -0.0101 0.0036 -0.0048 1356 LYS 86 CG -0.0071 0.0009 -0.0041 1357 LYS 86 HG1 -0.0062 0.0018 -0.0022 1358 LYS 86 HG2 -0.0060 -0.0010 -0.0047 1359 LYS 86 CD -0.0080 0.0016 -0.0045 1360 LYS 86 HD1 -0.0088 0.0005 -0.0063 1361 LYS 86 HD2 -0.0093 0.0035 -0.0041 1362 LYS 86 CE -0.0062 0.0011 -0.0031 1363 LYS 86 HE1 -0.0055 0.0022 -0.0012 1364 LYS 86 HE2 -0.0049 -0.0008 -0.0034 1365 LYS 86 NZ -0.0072 0.0014 -0.0038 1366 LYS 86 HZ1 -0.0089 0.0024 -0.0046 1367 LYS 86 HZ2 -0.0069 -0.0003 -0.0050 1368 LYS 86 HZ3 -0.0065 0.0020 -0.0025 1369 LYS 86 C -0.0069 0.0018 -0.0031 1370 LYS 86 O -0.0049 0.0004 -0.0022 1371 GLY 87 N 0.0011 0.0020 -0.0028 1372 GLY 87 HN 0.0000 0.0030 -0.0037 1373 GLY 87 CA 0.0011 0.0028 -0.0001 1374 GLY 87 HA1 -0.0002 0.0041 -0.0002 1375 GLY 87 HA2 0.0024 0.0015 0.0007 1376 GLY 87 C 0.0009 0.0035 0.0018 1377 GLY 87 O 0.0011 0.0030 0.0013 1378 HIS 88 N 0.0023 -0.0070 0.0208 1379 HIS 88 HN 0.0089 -0.0120 0.0199 1380 HIS 88 CA 0.0034 0.0017 0.0140 1381 HIS 88 HA -0.0025 0.0086 0.0131 1382 HIS 88 CB 0.0144 0.0033 0.0055 1383 HIS 88 HB1 0.0208 -0.0032 0.0058 1384 HIS 88 HB2 0.0162 0.0032 0.0044 1385 HIS 88 CD2 0.0221 0.0161 -0.0085 1386 HIS 88 HD2 0.0297 0.0111 -0.0101 1387 HIS 88 CG 0.0148 0.0137 -0.0020 1388 HIS 88 NE2 0.0180 0.0268 -0.0132 1389 HIS 88 HE2 0.0213 0.0310 -0.0184 1390 HIS 88 ND1 0.0062 0.0227 -0.0024 1391 HIS 88 HD1 -0.0003 0.0232 0.0015 1392 HIS 88 CE1 0.0085 0.0303 -0.0093 1393 HIS 88 HE1 0.0032 0.0384 -0.0115 1394 HIS 88 C 0.0005 0.0011 0.0163 1395 HIS 88 O 0.0016 -0.0073 0.0215 1396 HIS 89 N -0.0618 -0.0144 0.0650 1397 HIS 89 HN -0.0967 -0.0370 0.0544 1398 HIS 89 CA -0.0126 -0.0252 0.0285 1399 HIS 89 HA -0.0246 -0.0562 -0.0031 1400 HIS 89 CB 0.0354 -0.0060 0.0287 1401 HIS 89 HB1 0.0691 -0.0179 -0.0018 1402 HIS 89 HB2 0.0518 0.0259 0.0593 1403 HIS 89 CD2 0.0180 0.0113 0.0578 1404 HIS 89 HD2 0.0299 0.0428 0.0900 1405 HIS 89 CG 0.0174 -0.0138 0.0279 1406 HIS 89 NE2 0.0011 -0.0115 0.0384 1407 HIS 89 HE2 -0.0006 -0.0023 0.0504 1408 HIS 89 ND1 0.0001 -0.0516 -0.0094 1409 HIS 89 HD1 -0.0045 -0.0761 -0.0366 1410 HIS 89 CE1 -0.0093 -0.0491 -0.0019 1411 HIS 89 HE1 -0.0223 -0.0738 -0.0254 1412 HIS 89 C 0.0058 -0.0189 0.0272 1413 HIS 89 O 0.0490 -0.0233 0.0013 1414 HIS 90 N -0.0080 0.0001 0.0039 1415 HIS 90 HN -0.0022 -0.0009 0.0006 1416 HIS 90 CA -0.0107 -0.0009 0.0043 1417 HIS 90 HA -0.0050 -0.0014 0.0014 1418 HIS 90 CB -0.0132 0.0058 0.0108 1419 HIS 90 HB1 -0.0161 0.0044 0.0109 1420 HIS 90 HB2 -0.0181 0.0076 0.0143 1421 HIS 90 CD2 -0.0000 0.0164 0.0134 1422 HIS 90 HD2 -0.0005 0.0162 0.0134 1423 HIS 90 CG -0.0053 0.0122 0.0123 1424 HIS 90 NE2 0.0066 0.0216 0.0145 1425 HIS 90 HE2 0.0115 0.0253 0.0154 1426 HIS 90 ND1 -0.0019 0.0150 0.0131 1427 HIS 90 HD1 -0.0048 0.0137 0.0133 1428 HIS 90 CE1 0.0053 0.0206 0.0144 1429 HIS 90 HE1 0.0092 0.0239 0.0153 1430 HIS 90 C -0.0171 -0.0083 0.0012 1431 HIS 90 O -0.0209 -0.0093 0.0021 1432 HIS 91 N -0.0003 -0.0030 -0.0151 1433 HIS 91 HN -0.0003 -0.0020 -0.0126 1434 HIS 91 CA 0.0046 0.0024 -0.0127 1435 HIS 91 HA 0.0065 0.0021 -0.0186 1436 HIS 91 CB 0.0111 0.0093 -0.0103 1437 HIS 91 HB1 0.0150 0.0134 -0.0089 1438 HIS 91 HB2 0.0095 0.0099 -0.0042 1439 HIS 91 CD2 0.0168 0.0116 -0.0188 1440 HIS 91 HD2 0.0161 0.0128 -0.0135 1441 HIS 91 CG 0.0150 0.0101 -0.0182 1442 HIS 91 NE2 0.0198 0.0111 -0.0279 1443 HIS 91 HE2 0.0214 0.0116 -0.0310 1444 HIS 91 ND1 0.0169 0.0089 -0.0267 1445 HIS 91 HD1 0.0162 0.0078 -0.0282 1446 HIS 91 CE1 0.0197 0.0095 -0.0324 1447 HIS 91 HE1 0.0216 0.0087 -0.0398 1448 HIS 91 C 0.0013 0.0022 -0.0047 1449 HIS 91 O -0.0036 -0.0002 0.0015 1450 TYR 92 N -0.0040 0.0057 -0.0128 1451 TYR 92 HN -0.0028 0.0058 -0.0133 1452 TYR 92 CA -0.0058 0.0049 -0.0096 1453 TYR 92 HA -0.0075 0.0049 -0.0096 1454 TYR 92 CB -0.0081 0.0048 -0.0092 1455 TYR 92 HB1 -0.0092 0.0042 -0.0066 1456 TYR 92 HB2 -0.0066 0.0050 -0.0097 1457 TYR 92 CG -0.0112 0.0054 -0.0116 1458 TYR 92 CD1 -0.0109 0.0063 -0.0149 1459 TYR 92 HD1 -0.0085 0.0065 -0.0159 1460 TYR 92 CE1 -0.0138 0.0068 -0.0171 1461 TYR 92 HE1 -0.0136 0.0075 -0.0197 1462 TYR 92 CZ -0.0170 0.0065 -0.0158 1463 TYR 92 OH -0.0199 0.0071 -0.0180 1464 TYR 92 HH -0.0218 0.0068 -0.0167 1465 TYR 92 CD2 -0.0145 0.0051 -0.0103 1466 TYR 92 HD2 -0.0147 0.0045 -0.0077 1467 TYR 92 CE2 -0.0174 0.0057 -0.0124 1468 TYR 92 HE2 -0.0198 0.0055 -0.0114 1469 TYR 92 C -0.0034 0.0041 -0.0066 1470 TYR 92 O -0.0007 0.0041 -0.0064 1471 ILE 93 N -0.0037 0.0045 -0.0051 1472 ILE 93 HN -0.0051 0.0045 -0.0051 1473 ILE 93 CA -0.0020 0.0036 -0.0031 1474 ILE 93 HA -0.0001 0.0039 -0.0036 1475 ILE 93 CB -0.0021 0.0031 -0.0021 1476 ILE 93 HB -0.0041 0.0027 -0.0015 1477 ILE 93 CG2 -0.0016 0.0041 -0.0040 1478 ILE 93 HG21 -0.0016 0.0037 -0.0033 1479 ILE 93 HG22 0.0003 0.0045 -0.0047 1480 ILE 93 HG23 -0.0030 0.0047 -0.0053 1481 ILE 93 CG1 -0.0003 0.0021 -0.0000 1482 ILE 93 HG11 0.0017 0.0025 -0.0006 1483 ILE 93 HG12 -0.0005 0.0015 0.0012 1484 ILE 93 CD -0.0008 0.0015 0.0013 1485 ILE 93 HD1 -0.0028 0.0011 0.0019 1486 ILE 93 HD2 0.0005 0.0008 0.0027 1487 ILE 93 HD3 -0.0006 0.0020 0.0002 1488 ILE 93 C -0.0027 0.0027 -0.0013 1489 ILE 93 O -0.0048 0.0023 -0.0006 1490 SER 94 N 0.0022 0.0016 -0.0027 1491 SER 94 HN 0.0039 0.0007 -0.0040 1492 SER 94 CA 0.0023 0.0009 0.0002 1493 SER 94 HA 0.0003 0.0020 0.0013 1494 SER 94 CB 0.0039 -0.0000 -0.0003 1495 SER 94 HB1 0.0061 -0.0013 -0.0010 1496 SER 94 HB2 0.0032 0.0009 -0.0024 1497 SER 94 OG 0.0036 -0.0003 0.0023 1498 SER 94 HG1 0.0046 -0.0013 0.0039 1499 SER 94 C 0.0036 -0.0004 0.0026 1500 SER 94 O 0.0057 -0.0016 0.0019 1501 ALA 95 N -0.0004 -0.0001 0.0015 1502 ALA 95 HN -0.0013 0.0006 0.0019 1503 ALA 95 CA 0.0003 -0.0005 0.0030 1504 ALA 95 HA 0.0010 -0.0011 0.0024 1505 ALA 95 CB -0.0012 0.0006 0.0042 1506 ALA 95 HB1 -0.0020 0.0012 0.0049 1507 ALA 95 HB2 -0.0007 0.0003 0.0054 1508 ALA 95 HB3 -0.0020 0.0011 0.0030 1509 ALA 95 C 0.0013 -0.0012 0.0046 1510 ALA 95 O 0.0008 -0.0008 0.0054 1511 ASP 96 N 0.0063 0.0012 0.0071 1512 ASP 96 HN 0.0063 0.0011 0.0068 1513 ASP 96 CA 0.0083 0.0013 0.0085 1514 ASP 96 HA 0.0087 0.0010 0.0080 1515 ASP 96 CB 0.0105 0.0006 0.0083 1516 ASP 96 HB1 0.0121 0.0007 0.0094 1517 ASP 96 HB2 0.0100 0.0010 0.0087 1518 ASP 96 CG 0.0111 -0.0006 0.0059 1519 ASP 96 OD1 0.0126 -0.0012 0.0055 1520 ASP 96 OD2 0.0102 -0.0010 0.0045 1521 ASP 96 C 0.0077 0.0026 0.0109 1522 ASP 96 O 0.0059 0.0033 0.0115 1523 HIS 97 N 0.0129 0.0028 0.0030 1524 HIS 97 HN 0.0197 0.0007 -0.0001 1525 HIS 97 CA 0.0119 0.0094 0.0123 1526 HIS 97 HA 0.0044 0.0098 0.0132 1527 HIS 97 CB 0.0214 0.0119 0.0156 1528 HIS 97 HB1 0.0202 0.0168 0.0227 1529 HIS 97 HB2 0.0293 0.0116 0.0150 1530 HIS 97 CD2 0.0169 0.0089 0.0115 1531 HIS 97 HD2 0.0105 0.0120 0.0161 1532 HIS 97 CG 0.0223 0.0083 0.0105 1533 HIS 97 NE2 0.0212 0.0045 0.0052 1534 HIS 97 HE2 0.0179 0.0031 0.0033 1535 HIS 97 ND1 0.0300 0.0037 0.0039 1536 HIS 97 HD1 0.0352 0.0024 0.0018 1537 HIS 97 CE1 0.0290 0.0015 0.0008 1538 HIS 97 HE1 0.0337 -0.0023 -0.0047 1539 HIS 97 C 0.0113 0.0137 0.0184 1540 HIS 97 O 0.0069 0.0188 0.0257 1541 HIS 98 N 0.0059 0.0099 0.0195 1542 HIS 98 HN 0.0041 0.0071 0.0254 1543 HIS 98 CA 0.0014 0.0059 0.0092 1544 HIS 98 HA 0.0049 0.0107 0.0027 1545 HIS 98 CB -0.0036 0.0003 0.0080 1546 HIS 98 HB1 -0.0071 -0.0046 0.0147 1547 HIS 98 HB2 -0.0003 0.0041 0.0084 1548 HIS 98 CD2 -0.0155 -0.0119 -0.0048 1549 HIS 98 HD2 -0.0196 -0.0174 0.0007 1550 HIS 98 CG -0.0083 -0.0039 -0.0026 1551 HIS 98 NE2 -0.0168 -0.0121 -0.0160 1552 HIS 98 HE2 -0.0215 -0.0171 -0.0202 1553 HIS 98 ND1 -0.0050 0.0010 -0.0122 1554 HIS 98 HD1 0.0002 0.0072 -0.0131 1555 HIS 98 CE1 -0.0103 -0.0041 -0.0200 1556 HIS 98 HE1 -0.0095 -0.0022 -0.0286 1557 HIS 98 C -0.0031 0.0009 0.0081 1558 HIS 98 O -0.0045 -0.0018 0.0162 1559 GLY 99 N -0.0025 0.0048 -0.0059 1560 GLY 99 HN -0.0018 0.0053 -0.0088 1561 GLY 99 CA -0.0045 0.0040 -0.0045 1562 GLY 99 HA1 -0.0068 0.0031 -0.0025 1563 GLY 99 HA2 -0.0057 0.0039 -0.0071 1564 GLY 99 C -0.0021 0.0044 -0.0022 1565 GLY 99 O 0.0015 0.0055 -0.0021 1566 HIS 100 N 0.0053 0.0154 -0.0124 1567 HIS 100 HN 0.0028 0.0208 -0.0117 1568 HIS 100 CA 0.0055 0.0097 -0.0059 1569 HIS 100 HA 0.0058 0.0070 -0.0032 1570 HIS 100 CB 0.0018 0.0137 0.0004 1571 HIS 100 HB1 0.0020 0.0094 0.0054 1572 HIS 100 HB2 0.0015 0.0166 -0.0024 1573 HIS 100 CD2 -0.0027 0.0189 0.0075 1574 HIS 100 HD2 -0.0009 0.0141 0.0082 1575 HIS 100 CG -0.0018 0.0195 0.0040 1576 HIS 100 NE2 -0.0065 0.0258 0.0104 1577 HIS 100 HE2 -0.0082 0.0272 0.0137 1578 HIS 100 ND1 -0.0049 0.0266 0.0045 1579 HIS 100 HD1 -0.0051 0.0286 0.0025 1580 HIS 100 CE1 -0.0077 0.0302 0.0085 1581 HIS 100 HE1 -0.0107 0.0360 0.0102 1582 HIS 100 C 0.0089 0.0033 -0.0080 1583 HIS 100 O 0.0097 0.0045 -0.0120 1584 VAL 101 N 0.0067 0.0008 0.0021 1585 VAL 101 HN 0.0063 0.0007 0.0032 1586 VAL 101 CA 0.0058 -0.0000 0.0007 1587 VAL 101 HA 0.0059 -0.0001 0.0000 1588 VAL 101 CB 0.0043 -0.0010 0.0015 1589 VAL 101 HB 0.0043 -0.0009 0.0024 1590 VAL 101 CG1 0.0033 -0.0020 0.0002 1591 VAL 101 HG11 0.0036 -0.0019 -0.0005 1592 VAL 101 HG12 0.0032 -0.0022 -0.0007 1593 VAL 101 HG13 0.0022 -0.0027 0.0009 1594 VAL 101 CG2 0.0038 -0.0012 0.0025 1595 VAL 101 HG21 0.0038 -0.0014 0.0016 1596 VAL 101 HG22 0.0045 -0.0006 0.0035 1597 VAL 101 HG23 0.0027 -0.0019 0.0031 1598 VAL 101 C 0.0063 0.0001 -0.0005 1599 VAL 101 O 0.0069 0.0007 -0.0000 1600 SER 102 N 0.0146 0.0002 -0.0008 1601 SER 102 HN 0.0133 -0.0007 -0.0015 1602 SER 102 CA 0.0154 0.0016 -0.0027 1603 SER 102 HA 0.0165 0.0022 -0.0017 1604 SER 102 CB 0.0164 0.0032 -0.0044 1605 SER 102 HB1 0.0176 0.0037 -0.0031 1606 SER 102 HB2 0.0173 0.0044 -0.0054 1607 SER 102 OG 0.0151 0.0027 -0.0061 1608 SER 102 HG1 0.0150 0.0022 -0.0052 1609 SER 102 C 0.0137 0.0007 -0.0044 1610 SER 102 O 0.0123 -0.0008 -0.0036 1611 THR 103 N 0.0162 0.0052 0.0020 1612 THR 103 HN 0.0166 0.0071 0.0011 1613 THR 103 CA 0.0150 0.0052 0.0004 1614 THR 103 HA 0.0135 0.0027 0.0003 1615 THR 103 CB 0.0168 0.0063 0.0019 1616 THR 103 HB 0.0176 0.0047 0.0042 1617 THR 103 OG1 0.0155 0.0060 0.0004 1618 THR 103 HG1 0.0166 0.0062 0.0017 1619 THR 103 CG2 0.0188 0.0098 0.0018 1620 THR 103 HG21 0.0202 0.0105 0.0030 1621 THR 103 HG22 0.0199 0.0102 0.0029 1622 THR 103 HG23 0.0180 0.0115 -0.0006 1623 THR 103 C 0.0139 0.0073 -0.0028 1624 THR 103 O 0.0149 0.0098 -0.0034 1625 LYS 104 N 0.0114 -0.0003 -0.0112 1626 LYS 104 HN 0.0064 0.0006 -0.0110 1627 LYS 104 CA 0.0131 -0.0003 -0.0147 1628 LYS 104 HA 0.0178 -0.0010 -0.0177 1629 LYS 104 CB 0.0143 -0.0009 -0.0094 1630 LYS 104 HB1 0.0186 -0.0019 -0.0059 1631 LYS 104 HB2 0.0163 -0.0010 -0.0124 1632 LYS 104 CG 0.0081 -0.0001 -0.0047 1633 LYS 104 HG1 0.0042 0.0008 -0.0081 1634 LYS 104 HG2 0.0054 0.0002 -0.0024 1635 LYS 104 CD 0.0102 -0.0009 0.0015 1636 LYS 104 HD1 0.0135 -0.0017 0.0052 1637 LYS 104 HD2 0.0134 -0.0013 -0.0008 1638 LYS 104 CE 0.0040 -0.0001 0.0056 1639 LYS 104 HE1 0.0006 0.0008 0.0018 1640 LYS 104 HE2 0.0008 0.0003 0.0082 1641 LYS 104 NZ 0.0060 -0.0008 0.0112 1642 LYS 104 HZ1 0.0018 -0.0001 0.0118 1643 LYS 104 HZ2 0.0104 -0.0015 0.0100 1644 LYS 104 HZ3 0.0065 -0.0012 0.0163 1645 LYS 104 C 0.0075 0.0010 -0.0202 1646 LYS 104 O 0.0017 0.0020 -0.0200 1647 GLU 105 N -0.0057 -0.0018 -0.0348 1648 GLU 105 HN -0.0161 -0.0038 -0.0331 1649 GLU 105 CA 0.0059 -0.0029 -0.0210 1650 GLU 105 HA 0.0127 -0.0020 -0.0205 1651 GLU 105 CB -0.0028 -0.0077 -0.0044 1652 GLU 105 HB1 -0.0099 -0.0087 -0.0044 1653 GLU 105 HB2 -0.0119 -0.0093 -0.0032 1654 GLU 105 CG 0.0093 -0.0090 0.0108 1655 GLU 105 HG1 0.0167 -0.0078 0.0108 1656 GLU 105 HG2 0.0179 -0.0077 0.0109 1657 GLU 105 CD -0.0000 -0.0137 0.0269 1658 GLU 105 OE1 -0.0033 -0.0156 0.0338 1659 GLU 105 OE2 -0.0037 -0.0154 0.0325 1660 GLU 105 C 0.0183 -0.0005 -0.0236 1661 GLU 105 O 0.0136 -0.0002 -0.0283 1662 HIS 106 N -0.0049 -0.0033 -0.0190 1663 HIS 106 HN -0.0048 -0.0028 -0.0200 1664 HIS 106 CA 0.0060 0.0030 -0.0153 1665 HIS 106 HA 0.0115 0.0052 -0.0114 1666 HIS 106 CB 0.0078 -0.0007 -0.0048 1667 HIS 106 HB1 0.0166 0.0046 -0.0022 1668 HIS 106 HB2 0.0026 -0.0032 -0.0079 1669 HIS 106 CD2 -0.0023 -0.0167 0.0125 1670 HIS 106 HD2 -0.0087 -0.0203 0.0103 1671 HIS 106 CG 0.0055 -0.0080 0.0067 1672 HIS 106 NE2 -0.0012 -0.0205 0.0222 1673 HIS 106 HE2 -0.0069 -0.0271 0.0269 1674 HIS 106 ND1 0.0119 -0.0062 0.0126 1675 HIS 106 HD1 0.0182 -0.0004 0.0104 1676 HIS 106 CE1 0.0075 -0.0140 0.0219 1677 HIS 106 HE1 0.0101 -0.0151 0.0282 1678 HIS 106 C 0.0104 0.0114 -0.0259 1679 HIS 106 O 0.0045 0.0115 -0.0349 1680 HIS 107 N -0.0123 0.0081 -0.0050 1681 HIS 107 HN -0.0139 0.0083 -0.0075 1682 HIS 107 CA -0.0144 0.0063 -0.0015 1683 HIS 107 HA -0.0131 0.0061 0.0008 1684 HIS 107 CB -0.0188 0.0051 -0.0024 1685 HIS 107 HB1 -0.0200 0.0055 -0.0051 1686 HIS 107 HB2 -0.0189 0.0052 -0.0029 1687 HIS 107 CD2 -0.0238 0.0023 0.0012 1688 HIS 107 HD2 -0.0245 0.0027 -0.0009 1689 HIS 107 CG -0.0213 0.0033 0.0009 1690 HIS 107 NE2 -0.0252 0.0007 0.0048 1691 HIS 107 HE2 -0.0269 -0.0002 0.0061 1692 HIS 107 ND1 -0.0212 0.0023 0.0042 1693 HIS 107 HD1 -0.0196 0.0027 0.0048 1694 HIS 107 CE1 -0.0236 0.0008 0.0065 1695 HIS 107 HE1 -0.0241 -0.0002 0.0095 1696 HIS 107 C -0.0143 0.0059 0.0002 1697 HIS 107 O -0.0146 0.0065 -0.0020 1698 ASP 108 N -0.0165 0.0070 0.0120 1699 ASP 108 HN -0.0173 0.0077 0.0100 1700 ASP 108 CA -0.0151 0.0057 0.0183 1701 ASP 108 HA -0.0161 0.0067 0.0206 1702 ASP 108 CB -0.0101 0.0007 0.0183 1703 ASP 108 HB1 -0.0090 -0.0004 0.0167 1704 ASP 108 HB2 -0.0088 -0.0007 0.0150 1705 ASP 108 CG -0.0078 -0.0014 0.0244 1706 ASP 108 OD1 -0.0100 0.0009 0.0292 1707 ASP 108 OD2 -0.0037 -0.0055 0.0243 1708 ASP 108 C -0.0173 0.0079 0.0215 1709 ASP 108 O -0.0192 0.0098 0.0187 1710 HIS 109 N -0.0091 0.0004 0.0208 1711 HIS 109 HN -0.0024 -0.0001 0.0193 1712 HIS 109 CA -0.0094 0.0178 0.0113 1713 HIS 109 HA -0.0105 0.0139 0.0137 1714 HIS 109 CB 0.0109 0.0273 0.0008 1715 HIS 109 HB1 0.0083 0.0423 -0.0068 1716 HIS 109 HB2 0.0154 0.0271 -0.0003 1717 HIS 109 CD2 0.0472 0.0076 0.0021 1718 HIS 109 HD2 0.0543 0.0051 0.0017 1719 HIS 109 CG 0.0282 0.0170 0.0019 1720 HIS 109 NE2 0.0577 0.0006 0.0032 1721 HIS 109 HE2 0.0719 -0.0069 0.0037 1722 HIS 109 ND1 0.0269 0.0159 0.0028 1723 HIS 109 HD1 0.0145 0.0212 0.0032 1724 HIS 109 CE1 0.0449 0.0058 0.0037 1725 HIS 109 HE1 0.0482 0.0022 0.0048 1726 HIS 109 C -0.0292 0.0316 0.0089 1727 HIS 109 O -0.0356 0.0431 0.0042 1728 ASP 110 N -0.0114 0.0105 0.0149 1729 ASP 110 HN -0.0099 0.0090 0.0152 1730 ASP 110 CA -0.0089 0.0075 0.0127 1731 ASP 110 HA -0.0085 0.0076 0.0162 1732 ASP 110 CB -0.0045 0.0026 0.0110 1733 ASP 110 HB1 -0.0029 0.0004 0.0087 1734 ASP 110 HB2 -0.0050 0.0026 0.0079 1735 ASP 110 CG -0.0015 -0.0000 0.0164 1736 ASP 110 OD1 -0.0023 0.0017 0.0218 1737 ASP 110 OD2 0.0019 -0.0039 0.0150 1738 ASP 110 C -0.0109 0.0088 0.0068 1739 ASP 110 O -0.0100 0.0076 0.0053 1740 THR 111 N -0.0127 0.0045 0.0071 1741 THR 111 HN -0.0138 0.0051 0.0070 1742 THR 111 CA -0.0134 0.0052 0.0043 1743 THR 111 HA -0.0119 0.0044 0.0044 1744 THR 111 CB -0.0130 0.0055 0.0006 1745 THR 111 HB -0.0131 0.0057 -0.0014 1746 THR 111 OG1 -0.0155 0.0068 -0.0002 1747 THR 111 HG1 -0.0174 0.0079 -0.0004 1748 THR 111 CG2 -0.0099 0.0039 0.0001 1749 THR 111 HG21 -0.0097 0.0036 0.0020 1750 THR 111 HG22 -0.0095 0.0040 -0.0026 1751 THR 111 HG23 -0.0079 0.0028 0.0006 1752 THR 111 C -0.0168 0.0069 0.0049 1753 THR 111 O -0.0180 0.0078 0.0026 1754 THR 112 N -0.0201 0.0084 0.0075 1755 THR 112 HN -0.0208 0.0086 0.0068 1756 THR 112 CA -0.0184 0.0080 0.0070 1757 THR 112 HA -0.0178 0.0079 0.0078 1758 THR 112 CB -0.0175 0.0078 0.0071 1759 THR 112 HB -0.0181 0.0079 0.0063 1760 THR 112 OG1 -0.0176 0.0078 0.0088 1761 THR 112 HG1 -0.0187 0.0081 0.0090 1762 THR 112 CG2 -0.0157 0.0074 0.0067 1763 THR 112 HG21 -0.0151 0.0072 0.0076 1764 THR 112 HG22 -0.0151 0.0072 0.0069 1765 THR 112 HG23 -0.0155 0.0073 0.0054 1766 THR 112 C -0.0183 0.0080 0.0053 1767 THR 112 O -0.0191 0.0082 0.0042 1768 PHE 113 N -0.0043 0.0002 -0.0003 1769 PHE 113 HN -0.0037 0.0002 0.0003 1770 PHE 113 CA -0.0042 -0.0002 -0.0014 1771 PHE 113 HA -0.0049 -0.0002 -0.0021 1772 PHE 113 CB -0.0044 -0.0000 -0.0011 1773 PHE 113 HB1 -0.0045 -0.0003 -0.0019 1774 PHE 113 HB2 -0.0036 -0.0001 -0.0005 1775 PHE 113 CG -0.0055 0.0005 -0.0005 1776 PHE 113 CD1 -0.0054 0.0008 0.0006 1777 PHE 113 HD1 -0.0046 0.0006 0.0010 1778 PHE 113 CE1 -0.0064 0.0013 0.0012 1779 PHE 113 HE1 -0.0064 0.0015 0.0021 1780 PHE 113 CZ -0.0075 0.0015 0.0007 1781 PHE 113 HZ -0.0083 0.0018 0.0012 1782 PHE 113 CD2 -0.0066 0.0007 -0.0009 1783 PHE 113 HD2 -0.0067 0.0005 -0.0017 1784 PHE 113 CE2 -0.0076 0.0012 -0.0003 1785 PHE 113 HE2 -0.0085 0.0013 -0.0007 1786 PHE 113 C -0.0031 -0.0006 -0.0018 1787 PHE 113 O -0.0023 -0.0007 -0.0012 1788 GLU 114 N 0.0013 -0.0032 -0.0086 1789 GLU 114 HN -0.0030 0.0039 -0.0113 1790 GLU 114 CA 0.0088 -0.0173 -0.0112 1791 GLU 114 HA 0.0134 -0.0238 -0.0042 1792 GLU 114 CB 0.0088 -0.0223 -0.0284 1793 GLU 114 HB1 0.0147 -0.0333 -0.0301 1794 GLU 114 HB2 0.0043 -0.0162 -0.0354 1795 GLU 114 CG 0.0071 -0.0210 -0.0347 1796 GLU 114 HG1 0.0010 -0.0101 -0.0350 1797 GLU 114 HG2 0.0111 -0.0261 -0.0271 1798 GLU 114 CD 0.0082 -0.0277 -0.0510 1799 GLU 114 OE1 0.0083 -0.0292 -0.0562 1800 GLU 114 OE2 0.0089 -0.0310 -0.0584 1801 GLU 114 C 0.0104 -0.0189 -0.0063 1802 GLU 114 O 0.0052 -0.0091 -0.0050 1803 GLU 115 N 0.0062 -0.0143 -0.0055 1804 GLU 115 HN 0.0062 -0.0146 -0.0056 1805 GLU 115 CA 0.0043 -0.0121 -0.0055 1806 GLU 115 HA 0.0029 -0.0129 -0.0063 1807 GLU 115 CB 0.0027 -0.0110 -0.0057 1808 GLU 115 HB1 0.0015 -0.0091 -0.0055 1809 GLU 115 HB2 0.0041 -0.0105 -0.0050 1810 GLU 115 CG 0.0008 -0.0129 -0.0070 1811 GLU 115 HG1 0.0019 -0.0149 -0.0073 1812 GLU 115 HG2 -0.0007 -0.0133 -0.0077 1813 GLU 115 CD -0.0006 -0.0118 -0.0072 1814 GLU 115 OE1 -0.0017 -0.0094 -0.0069 1815 GLU 115 OE2 -0.0006 -0.0132 -0.0077 1816 GLU 115 C 0.0054 -0.0098 -0.0043 1817 GLU 115 O 0.0077 -0.0092 -0.0033 1818 ILE 116 N 0.0039 -0.0064 -0.0019 1819 ILE 116 HN 0.0020 -0.0071 -0.0013 1820 ILE 116 CA 0.0043 -0.0031 -0.0012 1821 ILE 116 HA 0.0066 -0.0025 -0.0020 1822 ILE 116 CB 0.0034 -0.0014 -0.0005 1823 ILE 116 HB 0.0012 -0.0023 0.0001 1824 ILE 116 CG2 0.0055 -0.0021 -0.0014 1825 ILE 116 HG21 0.0056 -0.0045 -0.0020 1826 ILE 116 HG22 0.0048 -0.0011 -0.0009 1827 ILE 116 HG23 0.0077 -0.0011 -0.0020 1828 ILE 116 CG1 0.0034 0.0020 0.0003 1829 ILE 116 HG11 0.0056 0.0029 -0.0003 1830 ILE 116 HG12 0.0020 0.0024 0.0010 1831 ILE 116 CD 0.0024 0.0037 0.0011 1832 ILE 116 HD1 0.0002 0.0028 0.0018 1833 ILE 116 HD2 0.0024 0.0061 0.0017 1834 ILE 116 HD3 0.0038 0.0035 0.0005 1835 ILE 116 C 0.0027 -0.0024 -0.0004 1836 ILE 116 O 0.0002 -0.0034 0.0003 1837 ILE 117 N 0.0046 -0.0011 -0.0038 1838 ILE 117 HN -0.0008 -0.0052 0.0000 1839 ILE 117 CA 0.0097 0.0028 -0.0074 1840 ILE 117 HA 0.0144 0.0094 -0.0088 1841 ILE 117 CB 0.0060 0.0055 -0.0010 1842 ILE 117 HB 0.0005 -0.0008 0.0014 1843 ILE 117 CG2 0.0110 0.0079 -0.0055 1844 ILE 117 HG21 0.0083 0.0103 -0.0006 1845 ILE 117 HG22 0.0114 0.0013 -0.0107 1846 ILE 117 HG23 0.0166 0.0138 -0.0085 1847 ILE 117 CG1 0.0046 0.0145 0.0070 1848 ILE 117 HG11 0.0090 0.0194 0.0049 1849 ILE 117 HG12 0.0052 0.0189 0.0093 1850 ILE 117 CD -0.0032 0.0119 0.0149 1851 ILE 117 HD1 -0.0041 0.0079 0.0133 1852 ILE 117 HD2 -0.0076 0.0072 0.0171 1853 ILE 117 HD3 -0.0039 0.0187 0.0204 1854 ILE 117 C 0.0127 -0.0044 -0.0163 1855 ILE 117 O 0.0086 -0.0132 -0.0172 1856 ILE 118 N -0.0036 -0.0001 0.0069 1857 ILE 118 HN -0.0018 0.0015 0.0078 1858 ILE 118 CA 0.0011 -0.0194 0.0016 1859 ILE 118 HA -0.0017 -0.0043 0.0059 1860 ILE 118 CB 0.0058 -0.0009 0.0090 1861 ILE 118 HB 0.0081 -0.0007 0.0097 1862 ILE 118 CG2 0.0099 -0.0046 0.0088 1863 ILE 118 HG21 0.0138 -0.0025 0.0105 1864 ILE 118 HG22 0.0111 -0.0088 0.0077 1865 ILE 118 HG23 0.0077 -0.0052 0.0081 1866 ILE 118 CG1 0.0050 0.0051 0.0108 1867 ILE 118 HG11 0.0092 0.0068 0.0124 1868 ILE 118 HG12 0.0027 0.0078 0.0111 1869 ILE 118 CD 0.0015 0.0059 0.0102 1870 ILE 118 HD1 0.0010 0.0104 0.0115 1871 ILE 118 HD2 0.0038 0.0035 0.0100 1872 ILE 118 HD3 -0.0028 0.0044 0.0086 1873 ILE 118 C 0.0013 -0.0092 0.0051 1874 ILE 118 OT1 0.0027 -0.0095 0.0053 1875 ILE 118 OT2 -0.0022 -0.0066 0.0051