1 ASN 3 N 0.0020 -0.0007 -0.0049 2 ASN 3 HN 0.0032 -0.0012 -0.0036 3 ASN 3 CA 0.0023 -0.0015 -0.0051 4 ASN 3 HA 0.0011 -0.0002 -0.0058 5 ASN 3 CB 0.0041 -0.0015 -0.0027 6 ASN 3 HB1 0.0043 -0.0022 -0.0028 7 ASN 3 HB2 0.0053 -0.0029 -0.0019 8 ASN 3 CG 0.0040 0.0013 -0.0011 9 ASN 3 OD1 0.0032 0.0028 -0.0012 10 ASN 3 ND2 0.0048 0.0019 0.0004 11 ASN 3 HD21 0.0047 0.0038 0.0014 12 ASN 3 HD22 0.0052 0.0007 0.0002 13 ASN 3 C 0.0023 -0.0043 -0.0068 14 ASN 3 O 0.0022 -0.0057 -0.0077 15 ARG 4 N 0.0007 -0.0079 -0.0066 16 ARG 4 HN 0.0006 -0.0059 -0.0033 17 ARG 4 CA 0.0026 -0.0068 -0.0071 18 ARG 4 HA 0.0019 -0.0093 -0.0104 19 ARG 4 CB -0.0000 -0.0054 -0.0018 20 ARG 4 HB1 0.0010 -0.0051 -0.0025 21 ARG 4 HB2 0.0014 -0.0024 0.0016 22 ARG 4 CG -0.0060 -0.0084 0.0003 23 ARG 4 HG1 -0.0073 -0.0071 0.0040 24 ARG 4 HG2 -0.0071 -0.0085 0.0015 25 ARG 4 CD -0.0086 -0.0129 -0.0038 26 ARG 4 HD1 -0.0075 -0.0143 -0.0074 27 ARG 4 HD2 -0.0077 -0.0130 -0.0051 28 ARG 4 NE -0.0143 -0.0152 -0.0009 29 ARG 4 HE -0.0154 -0.0135 0.0030 30 ARG 4 CZ -0.0179 -0.0192 -0.0033 31 ARG 4 NH1 -0.0168 -0.0217 -0.0086 32 ARG 4 HH11 -0.0132 -0.0204 -0.0108 33 ARG 4 HH12 -0.0195 -0.0246 -0.0101 34 ARG 4 NH2 -0.0227 -0.0208 -0.0003 35 ARG 4 HH21 -0.0254 -0.0239 -0.0020 36 ARG 4 HH22 -0.0235 -0.0190 0.0037 37 ARG 4 C 0.0084 -0.0031 -0.0079 38 ARG 4 O 0.0108 -0.0024 -0.0096 39 ALA 5 N 0.0048 -0.0049 -0.0041 40 ALA 5 HN 0.0047 -0.0046 -0.0039 41 ALA 5 CA 0.0048 -0.0056 -0.0038 42 ALA 5 HA 0.0050 -0.0060 -0.0041 43 ALA 5 CB 0.0049 -0.0060 -0.0036 44 ALA 5 HB1 0.0049 -0.0065 -0.0033 45 ALA 5 HB2 0.0050 -0.0061 -0.0041 46 ALA 5 HB3 0.0047 -0.0056 -0.0033 47 ALA 5 C 0.0047 -0.0055 -0.0031 48 ALA 5 O 0.0045 -0.0050 -0.0027 49 PHE 6 N 0.0037 -0.0047 -0.0026 50 PHE 6 HN 0.0042 -0.0053 -0.0029 51 PHE 6 CA 0.0036 -0.0047 -0.0021 52 PHE 6 HA 0.0031 -0.0040 -0.0016 53 PHE 6 CB 0.0037 -0.0048 -0.0032 54 PHE 6 HB1 0.0039 -0.0050 -0.0029 55 PHE 6 HB2 0.0042 -0.0053 -0.0039 56 PHE 6 CG 0.0030 -0.0037 -0.0039 57 PHE 6 CD1 0.0028 -0.0034 -0.0048 58 PHE 6 HD1 0.0032 -0.0039 -0.0050 59 PHE 6 CE1 0.0021 -0.0024 -0.0053 60 PHE 6 HE1 0.0019 -0.0022 -0.0060 61 PHE 6 CZ 0.0016 -0.0018 -0.0050 62 PHE 6 HZ 0.0010 -0.0010 -0.0053 63 PHE 6 CD2 0.0025 -0.0031 -0.0036 64 PHE 6 HD2 0.0026 -0.0033 -0.0029 65 PHE 6 CE2 0.0018 -0.0021 -0.0041 66 PHE 6 HE2 0.0014 -0.0016 -0.0038 67 PHE 6 C 0.0042 -0.0055 -0.0011 68 PHE 6 O 0.0048 -0.0063 -0.0011 69 LYS 7 N 0.0030 -0.0057 0.0010 70 LYS 7 HN 0.0033 -0.0045 0.0015 71 LYS 7 CA 0.0026 -0.0069 0.0023 72 LYS 7 HA 0.0023 -0.0081 0.0017 73 LYS 7 CB 0.0027 -0.0062 0.0030 74 LYS 7 HB1 0.0028 -0.0063 0.0019 75 LYS 7 HB2 0.0023 -0.0071 0.0040 76 LYS 7 CG 0.0031 -0.0043 0.0039 77 LYS 7 HG1 0.0030 -0.0042 0.0048 78 LYS 7 HG2 0.0035 -0.0034 0.0028 79 LYS 7 CD 0.0031 -0.0040 0.0051 80 LYS 7 HD1 0.0032 -0.0039 0.0042 81 LYS 7 HD2 0.0026 -0.0051 0.0059 82 LYS 7 CE 0.0034 -0.0024 0.0064 83 LYS 7 HE1 0.0033 -0.0024 0.0074 84 LYS 7 HE2 0.0033 -0.0024 0.0072 85 LYS 7 NZ 0.0040 -0.0007 0.0055 86 LYS 7 HZ1 0.0041 -0.0004 0.0051 87 LYS 7 HZ2 0.0041 -0.0007 0.0042 88 LYS 7 HZ3 0.0041 0.0003 0.0063 89 LYS 7 C 0.0023 -0.0072 0.0040 90 LYS 7 O 0.0025 -0.0061 0.0044 91 SER 8 N -0.0005 -0.0059 0.0030 92 SER 8 HN -0.0004 -0.0062 0.0031 93 SER 8 CA -0.0006 -0.0058 0.0031 94 SER 8 HA -0.0007 -0.0055 0.0031 95 SER 8 CB -0.0003 -0.0059 0.0029 96 SER 8 HB1 -0.0002 -0.0057 0.0027 97 SER 8 HB2 -0.0004 -0.0058 0.0029 98 SER 8 OG -0.0002 -0.0063 0.0029 99 SER 8 HG1 -0.0001 -0.0064 0.0028 100 SER 8 C -0.0008 -0.0060 0.0034 101 SER 8 O -0.0008 -0.0063 0.0035 102 HIS 9 N -0.0023 -0.0069 0.0043 103 HIS 9 HN -0.0023 -0.0068 0.0044 104 HIS 9 CA -0.0025 -0.0068 0.0040 105 HIS 9 HA -0.0026 -0.0068 0.0040 106 HIS 9 CB -0.0027 -0.0066 0.0039 107 HIS 9 HB1 -0.0029 -0.0066 0.0037 108 HIS 9 HB2 -0.0027 -0.0067 0.0039 109 HIS 9 CD2 -0.0028 -0.0062 0.0045 110 HIS 9 HD2 -0.0027 -0.0062 0.0045 111 HIS 9 CG -0.0028 -0.0063 0.0042 112 HIS 9 NE2 -0.0029 -0.0060 0.0046 113 HIS 9 HE2 -0.0029 -0.0058 0.0049 114 HIS 9 ND1 -0.0029 -0.0062 0.0042 115 HIS 9 HD1 -0.0030 -0.0063 0.0040 116 HIS 9 CE1 -0.0030 -0.0060 0.0045 117 HIS 9 HE1 -0.0030 -0.0059 0.0046 118 HIS 9 C -0.0024 -0.0071 0.0037 119 HIS 9 O -0.0023 -0.0073 0.0036 120 HIS 10 N -0.0044 -0.0110 0.0033 121 HIS 10 HN -0.0023 -0.0084 0.0047 122 HIS 10 CA -0.0052 -0.0110 0.0048 123 HIS 10 HA -0.0067 -0.0137 0.0022 124 HIS 10 CB -0.0009 -0.0070 0.0045 125 HIS 10 HB1 -0.0015 -0.0072 0.0054 126 HIS 10 HB2 0.0004 -0.0043 0.0076 127 HIS 10 CD2 0.0064 -0.0031 -0.0020 128 HIS 10 HD2 0.0078 -0.0006 0.0004 129 HIS 10 CG 0.0025 -0.0063 -0.0008 130 HIS 10 NE2 0.0085 -0.0036 -0.0072 131 HIS 10 HE2 0.0114 -0.0017 -0.0093 132 HIS 10 ND1 0.0020 -0.0088 -0.0050 133 HIS 10 HD1 -0.0005 -0.0113 -0.0051 134 HIS 10 CE1 0.0057 -0.0071 -0.0088 135 HIS 10 HE1 0.0064 -0.0082 -0.0127 136 HIS 10 C -0.0080 -0.0110 0.0105 137 HIS 10 O -0.0084 -0.0104 0.0127 138 GLY 11 N -0.0016 -0.0078 0.0048 139 GLY 11 HN -0.0015 -0.0073 0.0049 140 GLY 11 CA -0.0008 -0.0082 0.0042 141 GLY 11 HA1 -0.0011 -0.0087 0.0041 142 GLY 11 HA2 -0.0004 -0.0076 0.0042 143 GLY 11 C -0.0003 -0.0087 0.0037 144 GLY 11 O 0.0004 -0.0089 0.0032 145 HIS 12 N -0.0004 -0.0053 0.0046 146 HIS 12 HN -0.0001 -0.0052 0.0042 147 HIS 12 CA -0.0001 -0.0050 0.0050 148 HIS 12 HA -0.0001 -0.0048 0.0056 149 HIS 12 CB 0.0006 -0.0047 0.0046 150 HIS 12 HB1 0.0008 -0.0045 0.0049 151 HIS 12 HB2 0.0007 -0.0048 0.0040 152 HIS 12 CD2 0.0019 -0.0038 0.0050 153 HIS 12 HD2 0.0021 -0.0037 0.0050 154 HIS 12 CG 0.0012 -0.0043 0.0048 155 HIS 12 NE2 0.0022 -0.0036 0.0051 156 HIS 12 HE2 0.0027 -0.0032 0.0053 157 HIS 12 ND1 0.0011 -0.0043 0.0048 158 HIS 12 HD1 0.0007 -0.0046 0.0047 159 HIS 12 CE1 0.0017 -0.0039 0.0050 160 HIS 12 HE1 0.0018 -0.0038 0.0051 161 HIS 12 C -0.0006 -0.0053 0.0050 162 HIS 12 O -0.0010 -0.0057 0.0044 163 PHE 13 N 0.0017 -0.0047 0.0014 164 PHE 13 HN 0.0016 -0.0045 0.0013 165 PHE 13 CA 0.0019 -0.0050 0.0020 166 PHE 13 HA 0.0021 -0.0054 0.0020 167 PHE 13 CB 0.0020 -0.0051 0.0022 168 PHE 13 HB1 0.0022 -0.0054 0.0026 169 PHE 13 HB2 0.0018 -0.0047 0.0023 170 PHE 13 CG 0.0021 -0.0055 0.0016 171 PHE 13 CD1 0.0023 -0.0060 0.0014 172 PHE 13 HD1 0.0024 -0.0062 0.0016 173 PHE 13 CE1 0.0024 -0.0063 0.0009 174 PHE 13 HE1 0.0026 -0.0067 0.0007 175 PHE 13 CZ 0.0023 -0.0061 0.0006 176 PHE 13 HZ 0.0023 -0.0064 0.0001 177 PHE 13 CD2 0.0020 -0.0053 0.0013 178 PHE 13 HD2 0.0018 -0.0049 0.0015 179 PHE 13 CE2 0.0020 -0.0056 0.0008 180 PHE 13 HE2 0.0019 -0.0054 0.0005 181 PHE 13 C 0.0018 -0.0046 0.0025 182 PHE 13 O 0.0015 -0.0040 0.0025 183 LEU 14 N -0.0006 -0.0032 -0.0006 184 LEU 14 HN -0.0005 -0.0031 -0.0006 185 LEU 14 CA -0.0008 -0.0033 -0.0005 186 LEU 14 HA -0.0009 -0.0034 -0.0005 187 LEU 14 CB -0.0007 -0.0034 -0.0003 188 LEU 14 HB1 -0.0008 -0.0035 -0.0003 189 LEU 14 HB2 -0.0006 -0.0033 -0.0004 190 LEU 14 CG -0.0005 -0.0035 -0.0001 191 LEU 14 HG -0.0004 -0.0034 -0.0002 192 LEU 14 CD1 -0.0004 -0.0036 0.0000 193 LEU 14 HD11 -0.0006 -0.0037 0.0001 194 LEU 14 HD12 -0.0003 -0.0036 0.0002 195 LEU 14 HD13 -0.0003 -0.0035 -0.0000 196 LEU 14 CD2 -0.0006 -0.0036 -0.0001 197 LEU 14 HD21 -0.0007 -0.0035 -0.0002 198 LEU 14 HD22 -0.0005 -0.0036 0.0001 199 LEU 14 HD23 -0.0008 -0.0037 -0.0000 200 LEU 14 C -0.0009 -0.0033 -0.0007 201 LEU 14 O -0.0009 -0.0031 -0.0008 202 SER 15 N -0.0023 0.0007 -0.0026 203 SER 15 HN -0.0030 0.0008 -0.0023 204 SER 15 CA -0.0023 0.0006 -0.0030 205 SER 15 HA -0.0016 0.0005 -0.0029 206 SER 15 CB -0.0027 0.0005 -0.0041 207 SER 15 HB1 -0.0028 0.0004 -0.0044 208 SER 15 HB2 -0.0035 0.0006 -0.0042 209 SER 15 OG -0.0020 0.0002 -0.0048 210 SER 15 HG1 -0.0016 0.0002 -0.0044 211 SER 15 C -0.0030 0.0008 -0.0023 212 SER 15 O -0.0038 0.0010 -0.0019 213 ALA 16 N -0.0056 0.0037 -0.0076 214 ALA 16 HN -0.0043 0.0032 -0.0083 215 ALA 16 CA -0.0070 0.0043 -0.0057 216 ALA 16 HA -0.0081 0.0048 -0.0048 217 ALA 16 CB -0.0053 0.0035 -0.0036 218 ALA 16 HB1 -0.0043 0.0030 -0.0029 219 ALA 16 HB2 -0.0042 0.0030 -0.0044 220 ALA 16 HB3 -0.0064 0.0040 -0.0020 221 ALA 16 C -0.0085 0.0050 -0.0067 222 ALA 16 O -0.0078 0.0047 -0.0081 223 GLU 17 N -0.0181 0.0107 -0.0096 224 GLU 17 HN -0.0185 0.0100 -0.0079 225 GLU 17 CA -0.0201 0.0104 -0.0113 226 GLU 17 HA -0.0197 0.0111 -0.0129 227 GLU 17 CB -0.0213 0.0101 -0.0120 228 GLU 17 HB1 -0.0231 0.0096 -0.0127 229 GLU 17 HB2 -0.0214 0.0096 -0.0103 230 GLU 17 CG -0.0202 0.0111 -0.0138 231 GLU 17 HG1 -0.0184 0.0117 -0.0132 232 GLU 17 HG2 -0.0202 0.0116 -0.0155 233 GLU 17 CD -0.0216 0.0107 -0.0143 234 GLU 17 OE1 -0.0205 0.0112 -0.0146 235 GLU 17 OE2 -0.0237 0.0098 -0.0141 236 GLU 17 C -0.0220 0.0093 -0.0103 237 GLU 17 O -0.0227 0.0085 -0.0084 238 GLY 18 N -0.0176 0.0085 -0.0129 239 GLY 18 HN -0.0148 0.0049 -0.0146 240 GLY 18 CA -0.0205 0.0140 -0.0050 241 GLY 18 HA1 -0.0257 0.0188 -0.0074 242 GLY 18 HA2 -0.0184 0.0128 -0.0019 243 GLY 18 C -0.0190 0.0147 0.0022 244 GLY 18 O -0.0136 0.0106 0.0074 245 GLU 19 N -0.0202 0.0278 0.0008 246 GLU 19 HN -0.0284 0.0506 -0.0181 247 GLU 19 CA -0.0200 0.0324 0.0106 248 GLU 19 HA -0.0112 0.0114 0.0367 249 GLU 19 CB -0.0298 0.0798 0.0253 250 GLU 19 HB1 -0.0297 0.0831 0.0315 251 GLU 19 HB2 -0.0389 0.1019 -0.0015 252 GLU 19 CG -0.0277 0.0950 0.0681 253 GLU 19 HG1 -0.0279 0.0938 0.0646 254 GLU 19 HG2 -0.0188 0.0745 0.0957 255 GLU 19 CD -0.0374 0.1416 0.0815 256 GLU 19 OE1 -0.0410 0.1534 0.0768 257 GLU 19 OE2 -0.0413 0.1656 0.0970 258 GLU 19 C -0.0228 0.0217 -0.0293 259 GLU 19 O -0.0247 0.0301 -0.0281 260 ALA 20 N -0.0173 0.0166 -0.0030 261 ALA 20 HN -0.0173 0.0174 -0.0039 262 ALA 20 CA -0.0154 0.0155 -0.0055 263 ALA 20 HA -0.0150 0.0137 -0.0042 264 ALA 20 CB -0.0161 0.0186 -0.0076 265 ALA 20 HB1 -0.0147 0.0178 -0.0093 266 ALA 20 HB2 -0.0177 0.0197 -0.0058 267 ALA 20 HB3 -0.0164 0.0205 -0.0091 268 ALA 20 C -0.0132 0.0138 -0.0079 269 ALA 20 O -0.0131 0.0138 -0.0081 270 VAL 21 N -0.0072 0.0059 -0.0017 271 VAL 21 HN -0.0073 0.0059 -0.0014 272 VAL 21 CA -0.0064 0.0056 -0.0024 273 VAL 21 HA -0.0063 0.0057 -0.0027 274 VAL 21 CB -0.0056 0.0048 -0.0020 275 VAL 21 HB -0.0057 0.0048 -0.0017 276 VAL 21 CG1 -0.0048 0.0045 -0.0027 277 VAL 21 HG11 -0.0047 0.0048 -0.0033 278 VAL 21 HG12 -0.0047 0.0046 -0.0029 279 VAL 21 HG13 -0.0042 0.0039 -0.0024 280 VAL 21 CG2 -0.0057 0.0045 -0.0011 281 VAL 21 HG21 -0.0052 0.0039 -0.0008 282 VAL 21 HG22 -0.0057 0.0046 -0.0013 283 VAL 21 HG23 -0.0063 0.0046 -0.0005 284 VAL 21 C -0.0064 0.0060 -0.0032 285 VAL 21 O -0.0066 0.0061 -0.0030 286 LYS 22 N -0.0065 0.0022 0.0020 287 LYS 22 HN -0.0068 0.0031 0.0016 288 LYS 22 CA -0.0054 0.0024 0.0023 289 LYS 22 HA -0.0049 0.0014 0.0028 290 LYS 22 CB -0.0060 0.0031 0.0019 291 LYS 22 HB1 -0.0070 0.0023 0.0018 292 LYS 22 HB2 -0.0052 0.0032 0.0022 293 LYS 22 CG -0.0065 0.0047 0.0013 294 LYS 22 HG1 -0.0056 0.0056 0.0014 295 LYS 22 HG2 -0.0068 0.0049 0.0011 296 LYS 22 CD -0.0079 0.0051 0.0007 297 LYS 22 HD1 -0.0082 0.0062 0.0003 298 LYS 22 HD2 -0.0088 0.0042 0.0006 299 LYS 22 CE -0.0076 0.0052 0.0008 300 LYS 22 HE1 -0.0075 0.0041 0.0011 301 LYS 22 HE2 -0.0066 0.0060 0.0009 302 LYS 22 NZ -0.0089 0.0059 0.0001 303 LYS 22 HZ1 -0.0088 0.0062 0.0001 304 LYS 22 HZ2 -0.0099 0.0052 -0.0001 305 LYS 22 HZ3 -0.0091 0.0069 -0.0002 306 LYS 22 C -0.0041 0.0035 0.0025 307 LYS 22 O -0.0043 0.0043 0.0022 308 THR 23 N -0.0021 -0.0013 0.0052 309 THR 23 HN -0.0019 -0.0013 0.0051 310 THR 23 CA -0.0018 -0.0012 0.0051 311 THR 23 HA -0.0020 -0.0014 0.0051 312 THR 23 CB -0.0013 -0.0013 0.0048 313 THR 23 HB -0.0012 -0.0011 0.0047 314 THR 23 OG1 -0.0014 -0.0018 0.0047 315 THR 23 HG1 -0.0011 -0.0019 0.0045 316 THR 23 CG2 -0.0011 -0.0012 0.0047 317 THR 23 HG21 -0.0008 -0.0014 0.0044 318 THR 23 HG22 -0.0010 -0.0008 0.0047 319 THR 23 HG23 -0.0013 -0.0014 0.0047 320 THR 23 C -0.0018 -0.0006 0.0052 321 THR 23 O -0.0018 -0.0003 0.0052 322 HIS 24 N 0.0005 0.0002 0.0036 323 HIS 24 HN 0.0005 0.0001 0.0036 324 HIS 24 CA 0.0004 0.0009 0.0035 325 HIS 24 HA 0.0005 0.0009 0.0036 326 HIS 24 CB -0.0003 0.0011 0.0035 327 HIS 24 HB1 -0.0004 0.0010 0.0035 328 HIS 24 HB2 -0.0006 0.0008 0.0035 329 HIS 24 CD2 -0.0008 0.0022 0.0034 330 HIS 24 HD2 -0.0011 0.0022 0.0034 331 HIS 24 CG -0.0004 0.0018 0.0035 332 HIS 24 NE2 -0.0008 0.0027 0.0034 333 HIS 24 HE2 -0.0011 0.0031 0.0034 334 HIS 24 ND1 -0.0001 0.0020 0.0035 335 HIS 24 HD1 0.0002 0.0018 0.0035 336 HIS 24 CE1 -0.0004 0.0026 0.0035 337 HIS 24 HE1 -0.0003 0.0029 0.0034 338 HIS 24 C 0.0009 0.0013 0.0036 339 HIS 24 O 0.0010 0.0013 0.0036 340 HIS 25 N 0.0026 -0.0014 0.0081 341 HIS 25 HN 0.0022 -0.0009 0.0082 342 HIS 25 CA 0.0033 -0.0012 0.0075 343 HIS 25 HA 0.0038 -0.0017 0.0074 344 HIS 25 CB 0.0034 -0.0003 0.0069 345 HIS 25 HB1 0.0036 -0.0005 0.0069 346 HIS 25 HB2 0.0039 -0.0001 0.0064 347 HIS 25 CD2 0.0024 0.0012 0.0069 348 HIS 25 HD2 0.0027 0.0014 0.0066 349 HIS 25 CG 0.0027 0.0004 0.0071 350 HIS 25 NE2 0.0017 0.0017 0.0072 351 HIS 25 HE2 0.0013 0.0023 0.0071 352 HIS 25 ND1 0.0021 0.0005 0.0075 353 HIS 25 HD1 0.0022 0.0000 0.0077 354 HIS 25 CE1 0.0015 0.0012 0.0075 355 HIS 25 HE1 0.0010 0.0015 0.0078 356 HIS 25 C 0.0032 -0.0010 0.0075 357 HIS 25 O 0.0037 -0.0011 0.0071 358 GLY 26 N 0.0055 -0.0014 0.0045 359 GLY 26 HN 0.0044 -0.0016 0.0051 360 GLY 26 CA 0.0055 -0.0008 0.0040 361 GLY 26 HA1 0.0065 -0.0014 0.0042 362 GLY 26 HA2 0.0041 -0.0007 0.0044 363 GLY 26 C 0.0058 0.0007 0.0025 364 GLY 26 O 0.0055 0.0015 0.0019 365 HIS 27 N 0.0087 0.0023 0.0023 366 HIS 27 HN 0.0095 0.0024 0.0028 367 HIS 27 CA 0.0091 0.0032 0.0002 368 HIS 27 HA 0.0108 0.0039 0.0000 369 HIS 27 CB 0.0087 0.0033 -0.0003 370 HIS 27 HB1 0.0091 0.0041 -0.0019 371 HIS 27 HB2 0.0070 0.0026 -0.0002 372 HIS 27 CD2 0.0097 0.0025 0.0029 373 HIS 27 HD2 0.0082 0.0017 0.0033 374 HIS 27 CG 0.0102 0.0032 0.0013 375 HIS 27 NE2 0.0117 0.0028 0.0039 376 HIS 27 HE2 0.0120 0.0024 0.0053 377 HIS 27 ND1 0.0124 0.0041 0.0014 378 HIS 27 HD1 0.0132 0.0047 0.0005 379 HIS 27 CE1 0.0133 0.0038 0.0030 380 HIS 27 HE1 0.0150 0.0042 0.0035 381 HIS 27 C 0.0077 0.0033 -0.0014 382 HIS 27 O 0.0058 0.0025 -0.0011 383 HIS 28 N 0.0131 0.0019 0.0020 384 HIS 28 HN 0.0142 0.0015 0.0014 385 HIS 28 CA 0.0117 0.0024 0.0025 386 HIS 28 HA 0.0124 0.0023 0.0021 387 HIS 28 CB 0.0105 0.0042 0.0017 388 HIS 28 HB1 0.0113 0.0048 0.0005 389 HIS 28 HB2 0.0096 0.0045 0.0021 390 HIS 28 CD2 0.0096 0.0059 0.0006 391 HIS 28 HD2 0.0104 0.0065 -0.0006 392 HIS 28 CG 0.0096 0.0048 0.0018 393 HIS 28 NE2 0.0085 0.0062 0.0012 394 HIS 28 HE2 0.0083 0.0070 0.0006 395 HIS 28 ND1 0.0083 0.0045 0.0031 396 HIS 28 HD1 0.0079 0.0037 0.0041 397 HIS 28 CE1 0.0077 0.0053 0.0027 398 HIS 28 HE1 0.0068 0.0053 0.0035 399 HIS 28 C 0.0107 0.0016 0.0042 400 HIS 28 O 0.0101 0.0016 0.0046 401 ASP 29 N 0.0081 -0.0016 0.0017 402 ASP 29 HN 0.0082 -0.0013 0.0013 403 ASP 29 CA 0.0074 -0.0020 0.0032 404 ASP 29 HA 0.0066 -0.0015 0.0035 405 ASP 29 CB 0.0069 -0.0020 0.0038 406 ASP 29 HB1 0.0064 -0.0023 0.0050 407 ASP 29 HB2 0.0077 -0.0025 0.0035 408 ASP 29 CG 0.0060 -0.0007 0.0032 409 ASP 29 OD1 0.0057 -0.0005 0.0033 410 ASP 29 OD2 0.0054 0.0001 0.0027 411 ASP 29 C 0.0083 -0.0033 0.0039 412 ASP 29 O 0.0094 -0.0041 0.0035 413 HIS 30 N 0.0083 -0.0039 0.0034 414 HIS 30 HN 0.0049 -0.0033 0.0029 415 HIS 30 CA 0.0088 -0.0055 0.0044 416 HIS 30 HA 0.0124 -0.0047 0.0041 417 HIS 30 CB 0.0048 -0.0039 0.0032 418 HIS 30 HB1 0.0054 -0.0051 0.0040 419 HIS 30 HB2 0.0011 -0.0049 0.0037 420 HIS 30 CD2 0.0015 0.0036 -0.0014 421 HIS 30 HD2 -0.0021 0.0031 -0.0013 422 HIS 30 CG 0.0049 0.0008 0.0004 423 HIS 30 NE2 0.0034 0.0075 -0.0037 424 HIS 30 HE2 0.0019 0.0103 -0.0054 425 HIS 30 ND1 0.0089 0.0029 -0.0006 426 HIS 30 HD1 0.0120 0.0016 0.0003 427 HIS 30 CE1 0.0079 0.0069 -0.0031 428 HIS 30 HE1 0.0103 0.0095 -0.0045 429 HIS 30 C 0.0083 -0.0103 0.0072 430 HIS 30 O 0.0053 -0.0122 0.0082 431 HIS 31 N 0.0039 -0.0073 -0.0034 432 HIS 31 HN 0.0038 -0.0067 -0.0032 433 HIS 31 CA 0.0040 -0.0076 -0.0033 434 HIS 31 HA 0.0042 -0.0082 -0.0030 435 HIS 31 CB 0.0040 -0.0068 -0.0027 436 HIS 31 HB1 0.0040 -0.0070 -0.0026 437 HIS 31 HB2 0.0037 -0.0061 -0.0029 438 HIS 31 CD2 0.0041 -0.0064 -0.0012 439 HIS 31 HD2 0.0040 -0.0060 -0.0015 440 HIS 31 CG 0.0042 -0.0069 -0.0017 441 HIS 31 NE2 0.0044 -0.0066 -0.0003 442 HIS 31 HE2 0.0044 -0.0064 0.0002 443 HIS 31 ND1 0.0044 -0.0073 -0.0010 444 HIS 31 HD1 0.0045 -0.0077 -0.0012 445 HIS 31 CE1 0.0045 -0.0072 -0.0002 446 HIS 31 HE1 0.0047 -0.0074 0.0004 447 HIS 31 C 0.0039 -0.0076 -0.0042 448 HIS 31 O 0.0036 -0.0072 -0.0049 449 THR 32 N 0.0014 -0.0064 -0.0066 450 THR 32 HN 0.0004 -0.0061 -0.0070 451 THR 32 CA 0.0021 -0.0055 -0.0055 452 THR 32 HA 0.0029 -0.0057 -0.0051 453 THR 32 CB 0.0013 -0.0042 -0.0050 454 THR 32 HB 0.0005 -0.0040 -0.0054 455 THR 32 OG1 0.0007 -0.0038 -0.0051 456 THR 32 HG1 0.0006 -0.0046 -0.0058 457 THR 32 CG2 0.0021 -0.0033 -0.0039 458 THR 32 HG21 0.0014 -0.0023 -0.0035 459 THR 32 HG22 0.0025 -0.0034 -0.0037 460 THR 32 HG23 0.0029 -0.0034 -0.0035 461 THR 32 C 0.0028 -0.0058 -0.0054 462 THR 32 O 0.0021 -0.0059 -0.0058 463 HIS 33 N 0.0036 -0.0060 -0.0032 464 HIS 33 HN 0.0040 -0.0058 -0.0026 465 HIS 33 CA 0.0035 -0.0066 -0.0033 466 HIS 33 HA 0.0030 -0.0069 -0.0040 467 HIS 33 CB 0.0037 -0.0076 -0.0027 468 HIS 33 HB1 0.0037 -0.0081 -0.0028 469 HIS 33 HB2 0.0042 -0.0074 -0.0020 470 HIS 33 CD2 0.0032 -0.0083 -0.0035 471 HIS 33 HD2 0.0029 -0.0077 -0.0041 472 HIS 33 CG 0.0036 -0.0083 -0.0029 473 HIS 33 NE2 0.0032 -0.0091 -0.0033 474 HIS 33 HE2 0.0030 -0.0093 -0.0037 475 HIS 33 ND1 0.0038 -0.0092 -0.0023 476 HIS 33 HD1 0.0041 -0.0095 -0.0017 477 HIS 33 CE1 0.0036 -0.0097 -0.0026 478 HIS 33 HE1 0.0037 -0.0104 -0.0023 479 HIS 33 C 0.0036 -0.0059 -0.0031 480 HIS 33 O 0.0041 -0.0055 -0.0024 481 PHE 34 N 0.0030 -0.0030 -0.0028 482 PHE 34 HN 0.0026 -0.0033 -0.0032 483 PHE 34 CA 0.0031 -0.0020 -0.0024 484 PHE 34 HA 0.0034 -0.0017 -0.0022 485 PHE 34 CB 0.0022 -0.0014 -0.0026 486 PHE 34 HB1 0.0023 -0.0007 -0.0022 487 PHE 34 HB2 0.0019 -0.0018 -0.0028 488 PHE 34 CG 0.0015 -0.0012 -0.0028 489 PHE 34 CD1 0.0017 -0.0006 -0.0024 490 PHE 34 HD1 0.0024 -0.0003 -0.0020 491 PHE 34 CE1 0.0011 -0.0004 -0.0026 492 PHE 34 HE1 0.0012 0.0001 -0.0024 493 PHE 34 CZ 0.0003 -0.0008 -0.0031 494 PHE 34 HZ -0.0002 -0.0007 -0.0033 495 PHE 34 CD2 0.0007 -0.0017 -0.0033 496 PHE 34 HD2 0.0006 -0.0021 -0.0035 497 PHE 34 CE2 0.0001 -0.0015 -0.0035 498 PHE 34 HE2 -0.0006 -0.0018 -0.0039 499 PHE 34 C 0.0039 -0.0020 -0.0021 500 PHE 34 O 0.0038 -0.0024 -0.0023 501 HIS 35 N 0.0017 0.0016 -0.0011 502 HIS 35 HN 0.0025 0.0026 -0.0008 503 HIS 35 CA 0.0034 0.0019 -0.0005 504 HIS 35 HA 0.0025 0.0004 -0.0009 505 HIS 35 CB 0.0066 0.0007 0.0007 506 HIS 35 HB1 0.0081 0.0013 0.0013 507 HIS 35 HB2 0.0075 0.0019 0.0011 508 HIS 35 CD2 0.0064 -0.0044 0.0005 509 HIS 35 HD2 0.0060 -0.0036 0.0003 510 HIS 35 CG 0.0067 -0.0028 0.0006 511 HIS 35 NE2 0.0067 -0.0076 0.0005 512 HIS 35 HE2 0.0066 -0.0094 0.0004 513 HIS 35 ND1 0.0073 -0.0050 0.0008 514 HIS 35 HD1 0.0077 -0.0045 0.0010 515 HIS 35 CE1 0.0073 -0.0078 0.0007 516 HIS 35 HE1 0.0077 -0.0100 0.0008 517 HIS 35 C 0.0034 0.0052 -0.0004 518 HIS 35 O 0.0042 0.0074 -0.0000 519 VAL 36 N 0.0011 0.0090 0.0019 520 VAL 36 HN 0.0010 0.0090 0.0020 521 VAL 36 CA 0.0011 0.0083 0.0013 522 VAL 36 HA 0.0015 0.0083 0.0011 523 VAL 36 CB 0.0013 0.0078 0.0009 524 VAL 36 HB 0.0009 0.0078 0.0011 525 VAL 36 CG1 0.0012 0.0071 0.0003 526 VAL 36 HG11 0.0006 0.0068 0.0004 527 VAL 36 HG12 0.0016 0.0071 0.0001 528 VAL 36 HG13 0.0014 0.0068 0.0000 529 VAL 36 CG2 0.0021 0.0082 0.0008 530 VAL 36 HG21 0.0026 0.0082 0.0006 531 VAL 36 HG22 0.0022 0.0088 0.0012 532 VAL 36 HG23 0.0023 0.0079 0.0005 533 VAL 36 C 0.0003 0.0079 0.0015 534 VAL 36 O -0.0003 0.0079 0.0017 535 GLU 37 N -0.0009 0.0087 0.0041 536 GLU 37 HN 0.0015 0.0081 0.0034 537 GLU 37 CA -0.0032 0.0082 0.0026 538 GLU 37 HA -0.0057 0.0090 0.0036 539 GLU 37 CB -0.0019 0.0083 0.0029 540 GLU 37 HB1 0.0006 0.0075 0.0018 541 GLU 37 HB2 -0.0013 0.0094 0.0055 542 GLU 37 CG -0.0044 0.0080 0.0019 543 GLU 37 HG1 -0.0069 0.0088 0.0030 544 GLU 37 HG2 -0.0049 0.0069 -0.0007 545 GLU 37 CD -0.0031 0.0084 0.0029 546 GLU 37 OE1 -0.0008 0.0074 0.0014 547 GLU 37 OE2 -0.0043 0.0096 0.0052 548 GLU 37 C -0.0037 0.0067 -0.0008 549 GLU 37 O -0.0012 0.0057 -0.0023 550 ASN 38 N -0.0172 0.0147 -0.0019 551 ASN 38 HN -0.0247 0.0206 0.0000 552 ASN 38 CA -0.0191 0.0066 -0.0113 553 ASN 38 HA -0.0106 0.0028 -0.0103 554 ASN 38 CB -0.0294 0.0103 -0.0131 555 ASN 38 HB1 -0.0254 0.0135 -0.0076 556 ASN 38 HB2 -0.0319 0.0041 -0.0209 557 ASN 38 CG -0.0414 0.0183 -0.0117 558 ASN 38 OD1 -0.0480 0.0164 -0.0174 559 ASN 38 ND2 -0.0445 0.0276 -0.0039 560 ASN 38 HD21 -0.0525 0.0327 -0.0032 561 ASN 38 HD22 -0.0393 0.0291 0.0004 562 ASN 38 C -0.0209 -0.0016 -0.0206 563 ASN 38 O -0.0260 0.0002 -0.0216 564 HIS 39 N -0.0154 -0.0032 -0.0097 565 HIS 39 HN -0.0141 -0.0040 -0.0110 566 HIS 39 CA -0.0138 -0.0053 -0.0129 567 HIS 39 HA -0.0174 -0.0054 -0.0126 568 HIS 39 CB -0.0078 -0.0040 -0.0115 569 HIS 39 HB1 -0.0061 -0.0060 -0.0145 570 HIS 39 HB2 -0.0044 -0.0034 -0.0110 571 HIS 39 CD2 -0.0071 0.0026 -0.0023 572 HIS 39 HD2 -0.0058 0.0038 -0.0006 573 HIS 39 CG -0.0084 -0.0008 -0.0070 574 HIS 39 NE2 -0.0082 0.0044 0.0003 575 HIS 39 HE2 -0.0084 0.0070 0.0040 576 HIS 39 ND1 -0.0100 -0.0012 -0.0074 577 HIS 39 HD1 -0.0110 -0.0035 -0.0105 578 HIS 39 CE1 -0.0099 0.0020 -0.0029 579 HIS 39 HE1 -0.0111 0.0026 -0.0019 580 HIS 39 C -0.0134 -0.0091 -0.0182 581 HIS 39 O -0.0096 -0.0109 -0.0211 582 GLY 40 N -0.0350 -0.0179 -0.0261 583 GLY 40 HN -0.0382 -0.0075 -0.0254 584 GLY 40 CA -0.0303 -0.0298 -0.0265 585 GLY 40 HA1 -0.0315 -0.0411 -0.0295 586 GLY 40 HA2 -0.0365 -0.0275 -0.0289 587 GLY 40 C -0.0149 -0.0291 -0.0191 588 GLY 40 O -0.0100 -0.0168 -0.0141 589 GLY 41 N -0.0020 -0.0489 0.0071 590 GLY 41 HN -0.0097 -0.0564 0.0119 591 GLY 41 CA 0.0144 -0.0507 0.0045 592 GLY 41 HA1 0.0156 -0.0611 0.0086 593 GLY 41 HA2 0.0226 -0.0511 0.0029 594 GLY 41 C 0.0199 -0.0383 -0.0019 595 GLY 41 O 0.0343 -0.0368 -0.0056 596 LYS 42 N 0.0106 -0.0112 -0.0055 597 LYS 42 HN 0.0112 -0.0107 -0.0029 598 LYS 42 CA 0.0109 -0.0094 -0.0065 599 LYS 42 HA 0.0100 -0.0108 -0.0088 600 LYS 42 CB 0.0118 -0.0053 -0.0077 601 LYS 42 HB1 0.0123 -0.0039 -0.0075 602 LYS 42 HB2 0.0126 -0.0040 -0.0056 603 LYS 42 CG 0.0112 -0.0047 -0.0117 604 LYS 42 HG1 0.0107 -0.0060 -0.0120 605 LYS 42 HG2 0.0104 -0.0062 -0.0135 606 LYS 42 CD 0.0120 -0.0006 -0.0132 607 LYS 42 HD1 0.0114 -0.0005 -0.0163 608 LYS 42 HD2 0.0125 0.0006 -0.0127 609 LYS 42 CE 0.0131 0.0019 -0.0115 610 LYS 42 HE1 0.0137 0.0047 -0.0126 611 LYS 42 HE2 0.0138 0.0018 -0.0083 612 LYS 42 NZ 0.0126 0.0006 -0.0123 613 LYS 42 HZ1 0.0133 0.0024 -0.0114 614 LYS 42 HZ2 0.0119 0.0004 -0.0152 615 LYS 42 HZ3 0.0121 -0.0020 -0.0110 616 LYS 42 C 0.0113 -0.0102 -0.0033 617 LYS 42 O 0.0120 -0.0102 0.0000 618 VAL 43 N 0.0091 -0.0034 -0.0060 619 VAL 43 HN 0.0110 -0.0034 -0.0059 620 VAL 43 CA 0.0079 -0.0011 -0.0051 621 VAL 43 HA 0.0057 -0.0012 -0.0052 622 VAL 43 CB 0.0087 0.0010 -0.0041 623 VAL 43 HB 0.0075 0.0027 -0.0035 624 VAL 43 CG1 0.0082 0.0003 -0.0045 625 VAL 43 HG11 0.0086 0.0019 -0.0038 626 VAL 43 HG12 0.0061 -0.0002 -0.0048 627 VAL 43 HG13 0.0095 -0.0013 -0.0050 628 VAL 43 CG2 0.0117 0.0016 -0.0037 629 VAL 43 HG21 0.0123 0.0031 -0.0030 630 VAL 43 HG22 0.0130 -0.0000 -0.0043 631 VAL 43 HG23 0.0121 0.0023 -0.0033 632 VAL 43 C 0.0084 -0.0004 -0.0047 633 VAL 43 O 0.0102 -0.0014 -0.0051 634 ALA 44 N 0.0058 0.0035 -0.0025 635 ALA 44 HN 0.0043 0.0038 -0.0019 636 ALA 44 CA 0.0069 0.0046 -0.0018 637 ALA 44 HA 0.0085 0.0042 -0.0024 638 ALA 44 CB 0.0053 0.0045 -0.0015 639 ALA 44 HB1 0.0050 0.0032 -0.0026 640 ALA 44 HB2 0.0037 0.0050 -0.0007 641 ALA 44 HB3 0.0062 0.0053 -0.0010 642 ALA 44 C 0.0073 0.0064 -0.0003 643 ALA 44 O 0.0059 0.0069 0.0005 644 LEU 45 N 0.0052 0.0028 0.0008 645 LEU 45 HN 0.0053 0.0032 0.0007 646 LEU 45 CA 0.0056 0.0036 0.0003 647 LEU 45 HA 0.0055 0.0030 0.0003 648 LEU 45 CB 0.0065 0.0041 -0.0009 649 LEU 45 HB1 0.0067 0.0048 -0.0012 650 LEU 45 HB2 0.0065 0.0048 -0.0009 651 LEU 45 CG 0.0071 0.0029 -0.0018 652 LEU 45 HG 0.0069 0.0022 -0.0015 653 LEU 45 CD1 0.0080 0.0036 -0.0029 654 LEU 45 HD11 0.0084 0.0027 -0.0036 655 LEU 45 HD12 0.0079 0.0041 -0.0028 656 LEU 45 HD13 0.0083 0.0043 -0.0032 657 LEU 45 CD2 0.0072 0.0021 -0.0019 658 LEU 45 HD21 0.0071 0.0027 -0.0018 659 LEU 45 HD22 0.0067 0.0012 -0.0013 660 LEU 45 HD23 0.0078 0.0016 -0.0028 661 LEU 45 C 0.0050 0.0049 0.0011 662 LEU 45 O 0.0049 0.0057 0.0013 663 LYS 46 N 0.0042 0.0071 0.0028 664 LYS 46 HN 0.0041 0.0066 0.0027 665 LYS 46 CA 0.0046 0.0070 0.0032 666 LYS 46 HA 0.0046 0.0076 0.0032 667 LYS 46 CB 0.0053 0.0069 0.0039 668 LYS 46 HB1 0.0055 0.0075 0.0040 669 LYS 46 HB2 0.0057 0.0070 0.0042 670 LYS 46 CG 0.0055 0.0061 0.0041 671 LYS 46 HG1 0.0055 0.0055 0.0041 672 LYS 46 HG2 0.0052 0.0059 0.0038 673 LYS 46 CD 0.0062 0.0061 0.0048 674 LYS 46 HD1 0.0062 0.0066 0.0047 675 LYS 46 HD2 0.0065 0.0064 0.0050 676 LYS 46 CE 0.0065 0.0053 0.0051 677 LYS 46 HE1 0.0065 0.0048 0.0051 678 LYS 46 HE2 0.0062 0.0050 0.0048 679 LYS 46 NZ 0.0071 0.0055 0.0057 680 LYS 46 HZ1 0.0071 0.0057 0.0056 681 LYS 46 HZ2 0.0074 0.0049 0.0059 682 LYS 46 HZ3 0.0074 0.0059 0.0059 683 LYS 46 C 0.0044 0.0062 0.0031 684 LYS 46 O 0.0041 0.0056 0.0028 685 THR 47 N 0.0044 0.0020 0.0029 686 THR 47 HN 0.0044 0.0029 0.0034 687 THR 47 CA 0.0041 -0.0000 0.0015 688 THR 47 HA 0.0032 -0.0005 0.0009 689 THR 47 CB 0.0029 -0.0002 0.0010 690 THR 47 HB 0.0024 -0.0017 -0.0001 691 THR 47 OG1 0.0041 0.0001 0.0016 692 THR 47 HG1 0.0031 0.0002 0.0013 693 THR 47 CG2 0.0008 0.0014 0.0011 694 THR 47 HG21 0.0012 0.0029 0.0022 695 THR 47 HG22 -0.0001 0.0012 0.0007 696 THR 47 HG23 -0.0002 0.0012 0.0007 697 THR 47 C 0.0063 -0.0016 0.0014 698 THR 47 O 0.0080 -0.0011 0.0024 699 HIS 48 N 0.0075 -0.0046 -0.0005 700 HIS 48 HN 0.0057 -0.0050 -0.0014 701 HIS 48 CA 0.0094 -0.0068 -0.0005 702 HIS 48 HA 0.0105 -0.0071 -0.0001 703 HIS 48 CB 0.0081 -0.0092 -0.0020 704 HIS 48 HB1 0.0069 -0.0095 -0.0027 705 HIS 48 HB2 0.0095 -0.0110 -0.0021 706 HIS 48 CD2 0.0066 -0.0104 -0.0032 707 HIS 48 HD2 0.0081 -0.0119 -0.0031 708 HIS 48 CG 0.0064 -0.0090 -0.0027 709 HIS 48 NE2 0.0045 -0.0094 -0.0037 710 HIS 48 HE2 0.0041 -0.0101 -0.0042 711 HIS 48 ND1 0.0042 -0.0073 -0.0030 712 HIS 48 HD1 0.0035 -0.0060 -0.0028 713 HIS 48 CE1 0.0031 -0.0076 -0.0036 714 HIS 48 HE1 0.0014 -0.0065 -0.0040 715 HIS 48 C 0.0112 -0.0066 0.0004 716 HIS 48 O 0.0134 -0.0077 0.0010 717 CYS 49 N 0.0098 -0.0064 0.0015 718 CYS 49 HN 0.0075 -0.0058 0.0018 719 CYS 49 CA 0.0124 -0.0068 0.0013 720 CYS 49 HA 0.0144 -0.0084 0.0008 721 CYS 49 CB 0.0108 -0.0082 0.0011 722 CYS 49 HB1 0.0089 -0.0065 0.0015 723 CYS 49 HB2 0.0094 -0.0105 0.0008 724 CYS 49 SG 0.0138 -0.0094 0.0007 725 CYS 49 HG1 0.0156 -0.0066 0.0010 726 CYS 49 C 0.0139 -0.0034 0.0018 727 CYS 49 O 0.0162 -0.0030 0.0017 728 GLY 50 N 0.0089 0.0005 0.0036 729 GLY 50 HN 0.0068 0.0001 0.0037 730 GLY 50 CA 0.0104 0.0039 0.0038 731 GLY 50 HA1 0.0132 0.0036 0.0036 732 GLY 50 HA2 0.0094 0.0051 0.0040 733 GLY 50 C 0.0096 0.0061 0.0041 734 GLY 50 O 0.0114 0.0086 0.0042 735 LYS 51 N 0.0057 0.0043 0.0070 736 LYS 51 HN 0.0036 0.0017 0.0074 737 LYS 51 CA 0.0046 0.0064 0.0072 738 LYS 51 HA 0.0077 0.0081 0.0066 739 LYS 51 CB 0.0029 0.0028 0.0076 740 LYS 51 HB1 0.0023 0.0045 0.0077 741 LYS 51 HB2 -0.0006 0.0014 0.0083 742 LYS 51 CG 0.0060 -0.0015 0.0068 743 LYS 51 HG1 0.0041 -0.0041 0.0072 744 LYS 51 HG2 0.0069 -0.0031 0.0066 745 LYS 51 CD 0.0104 -0.0003 0.0059 746 LYS 51 HD1 0.0123 0.0026 0.0055 747 LYS 51 HD2 0.0094 0.0011 0.0061 748 LYS 51 CE 0.0136 -0.0045 0.0051 749 LYS 51 HE1 0.0116 -0.0076 0.0055 750 LYS 51 HE2 0.0152 -0.0054 0.0048 751 LYS 51 NZ 0.0173 -0.0036 0.0043 752 LYS 51 HZ1 0.0196 -0.0063 0.0038 753 LYS 51 HZ2 0.0159 -0.0031 0.0046 754 LYS 51 HZ3 0.0191 -0.0005 0.0040 755 LYS 51 C 0.0010 0.0102 0.0081 756 LYS 51 O -0.0023 0.0095 0.0088 757 TYR 52 N 0.0016 0.0094 0.0047 758 TYR 52 HN 0.0018 0.0091 0.0044 759 TYR 52 CA 0.0014 0.0105 0.0058 760 TYR 52 HA 0.0016 0.0109 0.0059 761 TYR 52 CB 0.0022 0.0115 0.0058 762 TYR 52 HB1 0.0019 0.0123 0.0067 763 TYR 52 HB2 0.0022 0.0111 0.0055 764 TYR 52 CG 0.0034 0.0122 0.0051 765 TYR 52 CD1 0.0042 0.0115 0.0040 766 TYR 52 HD1 0.0038 0.0106 0.0035 767 TYR 52 CE1 0.0053 0.0122 0.0033 768 TYR 52 HE1 0.0059 0.0117 0.0024 769 TYR 52 CZ 0.0057 0.0134 0.0039 770 TYR 52 OH 0.0069 0.0140 0.0032 771 TYR 52 HH 0.0070 0.0149 0.0037 772 TYR 52 CD2 0.0039 0.0134 0.0056 773 TYR 52 HD2 0.0033 0.0139 0.0065 774 TYR 52 CE2 0.0050 0.0140 0.0050 775 TYR 52 HE2 0.0053 0.0150 0.0054 776 TYR 52 C 0.0002 0.0102 0.0067 777 TYR 52 O -0.0003 0.0095 0.0067 778 LEU 53 N 0.0004 0.0045 0.0027 779 LEU 53 HN 0.0007 0.0038 0.0025 780 LEU 53 CA 0.0001 0.0051 0.0019 781 LEU 53 HA -0.0001 0.0058 0.0017 782 LEU 53 CB 0.0004 0.0045 0.0008 783 LEU 53 HB1 0.0002 0.0049 0.0003 784 LEU 53 HB2 0.0007 0.0037 0.0009 785 LEU 53 CG 0.0004 0.0046 -0.0000 786 LEU 53 HG 0.0001 0.0054 -0.0001 787 LEU 53 CD1 0.0006 0.0038 0.0003 788 LEU 53 HD11 0.0006 0.0039 -0.0003 789 LEU 53 HD12 0.0005 0.0041 0.0011 790 LEU 53 HD13 0.0009 0.0030 0.0004 791 LEU 53 CD2 0.0005 0.0042 -0.0012 792 LEU 53 HD21 0.0003 0.0048 -0.0015 793 LEU 53 HD22 0.0005 0.0043 -0.0018 794 LEU 53 HD23 0.0008 0.0034 -0.0012 795 LEU 53 C 0.0000 0.0054 0.0025 796 LEU 53 O 0.0003 0.0048 0.0030 797 SER 54 N -0.0024 0.0035 0.0008 798 SER 54 HN -0.0021 0.0059 0.0001 799 SER 54 CA -0.0027 0.0021 0.0015 800 SER 54 HA -0.0025 -0.0005 0.0017 801 SER 54 CB -0.0052 0.0033 0.0037 802 SER 54 HB1 -0.0054 0.0060 0.0034 803 SER 54 HB2 -0.0065 0.0027 0.0051 804 SER 54 OG -0.0056 0.0019 0.0044 805 SER 54 HG1 -0.0059 -0.0003 0.0051 806 SER 54 C -0.0009 0.0031 -0.0005 807 SER 54 O -0.0001 0.0057 -0.0018 808 ILE 55 N 0.0044 -0.0055 -0.0081 809 ILE 55 HN 0.0042 -0.0053 -0.0085 810 ILE 55 CA 0.0047 -0.0056 -0.0080 811 ILE 55 HA 0.0048 -0.0058 -0.0074 812 ILE 55 CB 0.0043 -0.0054 -0.0082 813 ILE 55 HB 0.0043 -0.0053 -0.0088 814 ILE 55 CG2 0.0036 -0.0051 -0.0079 815 ILE 55 HG21 0.0036 -0.0053 -0.0073 816 ILE 55 HG22 0.0034 -0.0050 -0.0081 817 ILE 55 HG23 0.0033 -0.0050 -0.0080 818 ILE 55 CG1 0.0046 -0.0055 -0.0080 819 ILE 55 HG11 0.0050 -0.0057 -0.0083 820 ILE 55 HG12 0.0042 -0.0054 -0.0080 821 ILE 55 CD 0.0048 -0.0058 -0.0072 822 ILE 55 HD1 0.0053 -0.0060 -0.0072 823 ILE 55 HD2 0.0044 -0.0057 -0.0068 824 ILE 55 HD3 0.0050 -0.0059 -0.0071 825 ILE 55 C 0.0054 -0.0058 -0.0084 826 ILE 55 O 0.0058 -0.0060 -0.0084 827 GLY 56 N 0.0013 -0.0012 -0.0078 828 GLY 56 HN -0.0025 -0.0009 -0.0066 829 GLY 56 CA -0.0001 -0.0007 -0.0072 830 GLY 56 HA1 0.0007 0.0042 -0.0056 831 GLY 56 HA2 -0.0052 -0.0027 -0.0064 832 GLY 56 C 0.0037 -0.0043 -0.0097 833 GLY 56 O 0.0050 -0.0098 -0.0121 834 ASP 57 N 0.0048 -0.0139 -0.0100 835 ASP 57 HN -0.0019 0.0003 -0.0055 836 ASP 57 CA 0.0125 -0.0210 -0.0141 837 ASP 57 HA 0.0113 -0.0386 -0.0158 838 ASP 57 CB -0.0002 -0.0110 -0.0076 839 ASP 57 HB1 0.0052 -0.0160 -0.0105 840 ASP 57 HB2 0.0007 0.0071 -0.0058 841 ASP 57 CG -0.0228 -0.0181 0.0010 842 ASP 57 OD1 -0.0285 -0.0335 0.0016 843 ASP 57 OD2 -0.0341 -0.0081 0.0071 844 ASP 57 C 0.0347 -0.0133 -0.0226 845 ASP 57 O 0.0425 -0.0142 -0.0259 846 HIS 58 N 0.0193 -0.0120 -0.0198 847 HIS 58 HN 0.0172 -0.0103 -0.0196 848 HIS 58 CA 0.0205 -0.0134 -0.0162 849 HIS 58 HA 0.0217 -0.0143 -0.0170 850 HIS 58 CB 0.0229 -0.0156 -0.0143 851 HIS 58 HB1 0.0218 -0.0148 -0.0140 852 HIS 58 HB2 0.0250 -0.0171 -0.0165 853 HIS 58 CD2 0.0241 -0.0176 -0.0068 854 HIS 58 HD2 0.0233 -0.0170 -0.0061 855 HIS 58 CG 0.0241 -0.0171 -0.0102 856 HIS 58 NE2 0.0254 -0.0191 -0.0040 857 HIS 58 HE2 0.0260 -0.0199 -0.0012 858 HIS 58 ND1 0.0253 -0.0182 -0.0097 859 HIS 58 HD1 0.0256 -0.0182 -0.0117 860 HIS 58 CE1 0.0261 -0.0194 -0.0059 861 HIS 58 HE1 0.0273 -0.0205 -0.0045 862 HIS 58 C 0.0178 -0.0116 -0.0130 863 HIS 58 O 0.0150 -0.0093 -0.0133 864 LYS 59 N 0.0134 -0.0177 -0.0130 865 LYS 59 HN 0.0175 -0.0214 -0.0126 866 LYS 59 CA 0.0087 -0.0153 -0.0071 867 LYS 59 HA 0.0054 -0.0116 -0.0099 868 LYS 59 CB 0.0109 -0.0186 -0.0023 869 LYS 59 HB1 0.0073 -0.0168 0.0024 870 LYS 59 HB2 0.0145 -0.0225 0.0003 871 LYS 59 CG 0.0130 -0.0192 -0.0065 872 LYS 59 HG1 0.0141 -0.0213 -0.0024 873 LYS 59 HG2 0.0173 -0.0218 -0.0103 874 LYS 59 CD 0.0088 -0.0142 -0.0113 875 LYS 59 HD1 0.0106 -0.0151 -0.0136 876 LYS 59 HD2 0.0088 -0.0128 -0.0162 877 LYS 59 CE 0.0024 -0.0097 -0.0074 878 LYS 59 HE1 -0.0001 -0.0064 -0.0114 879 LYS 59 HE2 0.0003 -0.0084 -0.0058 880 LYS 59 NZ 0.0019 -0.0112 -0.0007 881 LYS 59 HZ1 0.0040 -0.0127 -0.0019 882 LYS 59 HZ2 0.0037 -0.0140 0.0033 883 LYS 59 HZ3 -0.0025 -0.0080 0.0016 884 LYS 59 C 0.0056 -0.0141 -0.0019 885 LYS 59 O 0.0003 -0.0102 0.0006 886 GLN 60 N 0.0049 -0.0090 -0.0014 887 GLN 60 HN 0.0061 -0.0104 -0.0024 888 GLN 60 CA 0.0039 -0.0077 0.0004 889 GLN 60 HA 0.0031 -0.0065 0.0021 890 GLN 60 CB 0.0055 -0.0092 0.0020 891 GLN 60 HB1 0.0047 -0.0081 0.0035 892 GLN 60 HB2 0.0062 -0.0102 0.0003 893 GLN 60 CG 0.0073 -0.0109 0.0041 894 GLN 60 HG1 0.0082 -0.0116 0.0056 895 GLN 60 HG2 0.0085 -0.0123 0.0026 896 GLN 60 CD 0.0067 -0.0099 0.0060 897 GLN 60 OE1 0.0070 -0.0103 0.0053 898 GLN 60 NE2 0.0059 -0.0086 0.0086 899 GLN 60 HE21 0.0055 -0.0082 0.0091 900 GLN 60 HE22 0.0056 -0.0081 0.0101 901 GLN 60 C 0.0023 -0.0062 -0.0017 902 GLN 60 O 0.0027 -0.0070 -0.0043 903 VAL 61 N -0.0010 0.0007 -0.0024 904 VAL 61 HN -0.0002 0.0011 -0.0023 905 VAL 61 CA -0.0021 0.0006 -0.0023 906 VAL 61 HA -0.0023 -0.0004 -0.0025 907 VAL 61 CB -0.0019 0.0011 -0.0022 908 VAL 61 HB -0.0015 0.0021 -0.0021 909 VAL 61 CG1 -0.0031 0.0012 -0.0022 910 VAL 61 HG11 -0.0035 0.0003 -0.0024 911 VAL 61 HG12 -0.0028 0.0015 -0.0022 912 VAL 61 HG13 -0.0038 0.0019 -0.0021 913 VAL 61 CG2 -0.0009 0.0003 -0.0024 914 VAL 61 HG21 -0.0007 0.0006 -0.0024 915 VAL 61 HG22 -0.0012 -0.0007 -0.0026 916 VAL 61 HG23 0.0000 0.0003 -0.0024 917 VAL 61 C -0.0033 0.0012 -0.0022 918 VAL 61 O -0.0032 0.0022 -0.0020 919 TYR 62 N 0.0021 0.0085 -0.0082 920 TYR 62 HN 0.0027 0.0008 -0.0075 921 TYR 62 CA -0.0057 0.0133 -0.0016 922 TYR 62 HA -0.0058 0.0217 -0.0029 923 TYR 62 CB -0.0107 0.0097 0.0038 924 TYR 62 HB1 -0.0120 0.0016 0.0065 925 TYR 62 HB2 -0.0075 0.0100 0.0007 926 TYR 62 CG -0.0180 0.0171 0.0096 927 TYR 62 CD1 -0.0250 0.0144 0.0168 928 TYR 62 HD1 -0.0253 0.0069 0.0183 929 TYR 62 CE1 -0.0317 0.0216 0.0220 930 TYR 62 HE1 -0.0371 0.0197 0.0275 931 TYR 62 CZ -0.0313 0.0314 0.0199 932 TYR 62 OH -0.0380 0.0385 0.0252 933 TYR 62 HH -0.0365 0.0457 0.0225 934 TYR 62 CD2 -0.0177 0.0269 0.0077 935 TYR 62 HD2 -0.0123 0.0290 0.0021 936 TYR 62 CE2 -0.0243 0.0340 0.0128 937 TYR 62 HE2 -0.0241 0.0417 0.0113 938 TYR 62 C -0.0086 0.0104 0.0017 939 TYR 62 O -0.0063 0.0022 0.0009 940 LEU 63 N -0.0128 0.0113 0.0093 941 LEU 63 HN -0.0147 0.0135 0.0089 942 LEU 63 CA -0.0108 0.0091 0.0096 943 LEU 63 HA -0.0088 0.0069 0.0101 944 LEU 63 CB -0.0107 0.0090 0.0058 945 LEU 63 HB1 -0.0123 0.0108 0.0059 946 LEU 63 HB2 -0.0110 0.0094 0.0031 947 LEU 63 CG -0.0080 0.0059 0.0052 948 LEU 63 HG -0.0074 0.0052 0.0081 949 LEU 63 CD1 -0.0057 0.0034 0.0038 950 LEU 63 HD11 -0.0063 0.0040 0.0009 951 LEU 63 HD12 -0.0038 0.0012 0.0034 952 LEU 63 HD13 -0.0054 0.0030 0.0061 953 LEU 63 CD2 -0.0083 0.0063 0.0021 954 LEU 63 HD21 -0.0063 0.0041 0.0014 955 LEU 63 HD22 -0.0092 0.0073 -0.0008 956 LEU 63 HD23 -0.0097 0.0079 0.0033 957 LEU 63 C -0.0115 0.0099 0.0134 958 LEU 63 O -0.0137 0.0124 0.0137 959 SER 64 N -0.0131 0.0098 0.0146 960 SER 64 HN -0.0125 0.0098 0.0148 961 SER 64 CA -0.0121 0.0104 0.0155 962 SER 64 HA -0.0131 0.0106 0.0155 963 SER 64 CB -0.0115 0.0117 0.0171 964 SER 64 HB1 -0.0106 0.0116 0.0171 965 SER 64 HB2 -0.0129 0.0124 0.0176 966 SER 64 OG -0.0104 0.0124 0.0180 967 SER 64 HG1 -0.0090 0.0121 0.0179 968 SER 64 C -0.0103 0.0095 0.0148 969 SER 64 O -0.0093 0.0087 0.0141 970 HIS 65 N -0.0107 0.0010 0.0168 971 HIS 65 HN -0.0140 -0.0028 0.0185 972 HIS 65 CA 0.0028 0.0028 0.0017 973 HIS 65 HA 0.0043 0.0035 0.0004 974 HIS 65 CB 0.0059 -0.0130 -0.0117 975 HIS 65 HB1 0.0049 -0.0137 -0.0110 976 HIS 65 HB2 -0.0017 -0.0258 -0.0105 977 HIS 65 CD2 0.0306 -0.0082 -0.0384 978 HIS 65 HD2 0.0317 -0.0061 -0.0384 979 HIS 65 CG 0.0197 -0.0114 -0.0273 980 HIS 65 NE2 0.0408 -0.0074 -0.0502 981 HIS 65 HE2 0.0503 -0.0045 -0.0598 982 HIS 65 ND1 0.0228 -0.0129 -0.0319 983 HIS 65 HD1 0.0166 -0.0155 -0.0261 984 HIS 65 CE1 0.0356 -0.0102 -0.0457 985 HIS 65 HE1 0.0417 -0.0098 -0.0527 986 HIS 65 C 0.0128 0.0203 0.0004 987 HIS 65 O 0.0136 0.0229 0.0011 988 HIS 66 N 0.0106 0.0005 -0.0041 989 HIS 66 HN 0.0099 -0.0016 -0.0038 990 HIS 66 CA 0.0146 0.0165 -0.0048 991 HIS 66 HA 0.0158 0.0225 -0.0047 992 HIS 66 CB 0.0243 0.0192 -0.0177 993 HIS 66 HB1 0.0272 0.0319 -0.0180 994 HIS 66 HB2 0.0236 0.0133 -0.0186 995 HIS 66 CD2 0.0387 0.0080 -0.0416 996 HIS 66 HD2 0.0410 0.0060 -0.0455 997 HIS 66 CG 0.0314 0.0139 -0.0295 998 HIS 66 NE2 0.0431 0.0052 -0.0487 999 HIS 66 HE2 0.0492 0.0020 -0.0582 1000 HIS 66 ND1 0.0312 0.0148 -0.0288 1001 HIS 66 HD1 0.0265 0.0187 -0.0211 1002 HIS 66 CE1 0.0383 0.0095 -0.0405 1003 HIS 66 HE1 0.0401 0.0087 -0.0434 1004 HIS 66 C 0.0077 0.0242 0.0073 1005 HIS 66 O -0.0002 0.0169 0.0162 1006 LEU 67 N 0.0000 0.0134 0.0019 1007 LEU 67 HN 0.0002 0.0130 0.0024 1008 LEU 67 CA 0.0009 0.0124 0.0025 1009 LEU 67 HA 0.0015 0.0129 0.0014 1010 LEU 67 CB 0.0025 0.0110 0.0031 1011 LEU 67 HB1 0.0020 0.0104 0.0042 1012 LEU 67 HB2 0.0034 0.0113 0.0020 1013 LEU 67 CG 0.0038 0.0099 0.0035 1014 LEU 67 HG 0.0030 0.0094 0.0048 1015 LEU 67 CD1 0.0043 0.0106 0.0022 1016 LEU 67 HD11 0.0031 0.0113 0.0023 1017 LEU 67 HD12 0.0049 0.0113 0.0009 1018 LEU 67 HD13 0.0054 0.0098 0.0025 1019 LEU 67 CD2 0.0056 0.0088 0.0036 1020 LEU 67 HD21 0.0065 0.0079 0.0040 1021 LEU 67 HD22 0.0064 0.0093 0.0023 1022 LEU 67 HD23 0.0053 0.0082 0.0046 1023 LEU 67 C -0.0004 0.0122 0.0038 1024 LEU 67 O -0.0012 0.0115 0.0053 1025 HIS 68 N -0.0155 0.0082 0.0111 1026 HIS 68 HN -0.0115 0.0124 0.0053 1027 HIS 68 CA -0.0209 0.0038 0.0175 1028 HIS 68 HA -0.0295 0.0039 0.0202 1029 HIS 68 CB -0.0221 0.0082 0.0132 1030 HIS 68 HB1 -0.0135 0.0083 0.0103 1031 HIS 68 HB2 -0.0270 0.0148 0.0079 1032 HIS 68 CD2 -0.0266 0.0027 0.0205 1033 HIS 68 HD2 -0.0194 0.0034 0.0174 1034 HIS 68 CG -0.0289 0.0046 0.0193 1035 HIS 68 NE2 -0.0357 -0.0006 0.0270 1036 HIS 68 HE2 -0.0363 -0.0035 0.0302 1037 HIS 68 ND1 -0.0390 0.0025 0.0248 1038 HIS 68 HD1 -0.0427 0.0032 0.0253 1039 HIS 68 CE1 -0.0428 -0.0005 0.0293 1040 HIS 68 HE1 -0.0506 -0.0030 0.0344 1041 HIS 68 C -0.0148 -0.0054 0.0251 1042 HIS 68 O -0.0042 -0.0078 0.0242 1043 GLY 69 N -0.0342 -0.0103 0.0338 1044 GLY 69 HN -0.0390 -0.0041 0.0369 1045 GLY 69 CA -0.0322 -0.0222 0.0351 1046 GLY 69 HA1 -0.0376 -0.0230 0.0406 1047 GLY 69 HA2 -0.0314 -0.0288 0.0360 1048 GLY 69 C -0.0239 -0.0244 0.0274 1049 GLY 69 O -0.0185 -0.0340 0.0247 1050 ASP 70 N -0.0266 -0.0239 0.0247 1051 ASP 70 HN -0.0355 -0.0158 0.0250 1052 ASP 70 CA -0.0155 -0.0264 0.0201 1053 ASP 70 HA -0.0117 -0.0383 0.0244 1054 ASP 70 CB -0.0217 -0.0199 0.0199 1055 ASP 70 HB1 -0.0138 -0.0235 0.0177 1056 ASP 70 HB2 -0.0245 -0.0077 0.0149 1057 ASP 70 CG -0.0356 -0.0255 0.0302 1058 ASP 70 OD1 -0.0341 -0.0390 0.0366 1059 ASP 70 OD2 -0.0479 -0.0163 0.0318 1060 ASP 70 C -0.0022 -0.0200 0.0097 1061 ASP 70 O -0.0034 -0.0094 0.0047 1062 HIS 71 N 0.0001 -0.0173 -0.0097 1063 HIS 71 HN 0.0012 -0.0215 -0.0132 1064 HIS 71 CA 0.0046 -0.0153 -0.0107 1065 HIS 71 HA 0.0042 -0.0205 -0.0140 1066 HIS 71 CB 0.0135 -0.0121 -0.0130 1067 HIS 71 HB1 0.0171 -0.0112 -0.0142 1068 HIS 71 HB2 0.0144 -0.0068 -0.0099 1069 HIS 71 CD2 0.0196 -0.0165 -0.0191 1070 HIS 71 HD2 0.0205 -0.0118 -0.0164 1071 HIS 71 CG 0.0166 -0.0173 -0.0182 1072 HIS 71 NE2 0.0215 -0.0230 -0.0245 1073 HIS 71 HE2 0.0237 -0.0242 -0.0265 1074 HIS 71 ND1 0.0165 -0.0243 -0.0229 1075 HIS 71 HD1 0.0147 -0.0264 -0.0233 1076 HIS 71 CE1 0.0195 -0.0275 -0.0266 1077 HIS 71 HE1 0.0204 -0.0331 -0.0308 1078 HIS 71 C 0.0017 -0.0106 -0.0060 1079 HIS 71 O 0.0058 -0.0045 -0.0039 1080 SER 72 N 0.0080 -0.0067 0.0007 1081 SER 72 HN 0.0065 -0.0098 0.0018 1082 SER 72 CA 0.0077 -0.0030 0.0000 1083 SER 72 HA 0.0101 -0.0002 -0.0013 1084 SER 72 CB 0.0025 -0.0006 0.0011 1085 SER 72 HB1 0.0026 0.0024 0.0005 1086 SER 72 HB2 -0.0000 -0.0033 0.0025 1087 SER 72 OG 0.0008 0.0015 0.0012 1088 SER 72 HG1 -0.0002 -0.0012 0.0021 1089 SER 72 C 0.0091 -0.0052 0.0000 1090 SER 72 O 0.0084 -0.0027 -0.0003 1091 LEU 73 N 0.0122 -0.0032 -0.0041 1092 LEU 73 HN 0.0130 -0.0043 -0.0044 1093 LEU 73 CA 0.0124 -0.0040 -0.0043 1094 LEU 73 HA 0.0115 -0.0027 -0.0039 1095 LEU 73 CB 0.0112 -0.0066 -0.0045 1096 LEU 73 HB1 0.0110 -0.0069 -0.0045 1097 LEU 73 HB2 0.0124 -0.0081 -0.0050 1098 LEU 73 CG 0.0086 -0.0071 -0.0040 1099 LEU 73 HG 0.0087 -0.0068 -0.0040 1100 LEU 73 CD1 0.0077 -0.0099 -0.0043 1101 LEU 73 HD11 0.0059 -0.0102 -0.0039 1102 LEU 73 HD12 0.0091 -0.0112 -0.0048 1103 LEU 73 HD13 0.0075 -0.0102 -0.0043 1104 LEU 73 CD2 0.0067 -0.0053 -0.0033 1105 LEU 73 HD21 0.0072 -0.0034 -0.0031 1106 LEU 73 HD22 0.0048 -0.0057 -0.0030 1107 LEU 73 HD23 0.0065 -0.0056 -0.0033 1108 LEU 73 C 0.0151 -0.0041 -0.0049 1109 LEU 73 O 0.0167 -0.0050 -0.0053 1110 PHE 74 N 0.0105 -0.0022 -0.0031 1111 PHE 74 HN 0.0110 -0.0024 -0.0033 1112 PHE 74 CA 0.0106 -0.0023 -0.0036 1113 PHE 74 HA 0.0100 -0.0021 -0.0033 1114 PHE 74 CB 0.0104 -0.0023 -0.0047 1115 PHE 74 HB1 0.0105 -0.0024 -0.0051 1116 PHE 74 HB2 0.0109 -0.0025 -0.0050 1117 PHE 74 CG 0.0094 -0.0021 -0.0049 1118 PHE 74 CD1 0.0091 -0.0020 -0.0050 1119 PHE 74 HD1 0.0097 -0.0021 -0.0048 1120 PHE 74 CE1 0.0082 -0.0018 -0.0052 1121 PHE 74 HE1 0.0080 -0.0017 -0.0052 1122 PHE 74 CZ 0.0075 -0.0016 -0.0054 1123 PHE 74 HZ 0.0068 -0.0014 -0.0056 1124 PHE 74 CD2 0.0087 -0.0019 -0.0051 1125 PHE 74 HD2 0.0089 -0.0019 -0.0050 1126 PHE 74 CE2 0.0078 -0.0017 -0.0053 1127 PHE 74 HE2 0.0073 -0.0015 -0.0054 1128 PHE 74 C 0.0115 -0.0025 -0.0034 1129 PHE 74 O 0.0122 -0.0027 -0.0032 1130 HIS 75 N 0.0116 -0.0028 -0.0067 1131 HIS 75 HN 0.0089 -0.0039 -0.0064 1132 HIS 75 CA 0.0133 -0.0011 -0.0053 1133 HIS 75 HA 0.0163 -0.0004 -0.0062 1134 HIS 75 CB 0.0123 0.0011 -0.0015 1135 HIS 75 HB1 0.0092 0.0003 -0.0006 1136 HIS 75 HB2 0.0132 0.0020 -0.0007 1137 HIS 75 CD2 0.0162 0.0034 -0.0006 1138 HIS 75 HD2 0.0175 0.0023 -0.0030 1139 HIS 75 CG 0.0138 0.0031 0.0004 1140 HIS 75 NE2 0.0165 0.0056 0.0023 1141 HIS 75 HE2 0.0179 0.0063 0.0024 1142 HIS 75 ND1 0.0128 0.0050 0.0039 1143 HIS 75 HD1 0.0112 0.0053 0.0053 1144 HIS 75 CE1 0.0145 0.0065 0.0049 1145 HIS 75 HE1 0.0143 0.0082 0.0075 1146 HIS 75 C 0.0121 -0.0026 -0.0066 1147 HIS 75 O 0.0088 -0.0038 -0.0063 1148 LEU 76 N 0.0099 -0.0001 -0.0080 1149 LEU 76 HN 0.0102 -0.0002 -0.0079 1150 LEU 76 CA 0.0094 -0.0007 -0.0082 1151 LEU 76 HA 0.0092 -0.0007 -0.0083 1152 LEU 76 CB 0.0097 -0.0015 -0.0079 1153 LEU 76 HB1 0.0093 -0.0020 -0.0081 1154 LEU 76 HB2 0.0098 -0.0015 -0.0079 1155 LEU 76 CG 0.0104 -0.0016 -0.0075 1156 LEU 76 HG 0.0108 -0.0011 -0.0074 1157 LEU 76 CD1 0.0107 -0.0024 -0.0073 1158 LEU 76 HD11 0.0104 -0.0029 -0.0074 1159 LEU 76 HD12 0.0112 -0.0025 -0.0070 1160 LEU 76 HD13 0.0108 -0.0023 -0.0072 1161 LEU 76 CD2 0.0103 -0.0017 -0.0076 1162 LEU 76 HD21 0.0101 -0.0012 -0.0078 1163 LEU 76 HD22 0.0109 -0.0018 -0.0073 1164 LEU 76 HD23 0.0100 -0.0022 -0.0077 1165 LEU 76 C 0.0087 -0.0006 -0.0086 1166 LEU 76 O 0.0088 -0.0006 -0.0085 1167 GLU 77 N 0.0029 -0.0070 -0.0071 1168 GLU 77 HN 0.0013 -0.0067 -0.0080 1169 GLU 77 CA 0.0030 -0.0071 -0.0072 1170 GLU 77 HA 0.0046 -0.0072 -0.0059 1171 GLU 77 CB 0.0008 -0.0057 -0.0066 1172 GLU 77 HB1 0.0011 -0.0059 -0.0067 1173 GLU 77 HB2 -0.0008 -0.0056 -0.0078 1174 GLU 77 CG 0.0006 -0.0042 -0.0041 1175 GLU 77 HG1 -0.0003 -0.0038 -0.0041 1176 GLU 77 HG2 0.0024 -0.0045 -0.0029 1177 GLU 77 CD -0.0008 -0.0030 -0.0030 1178 GLU 77 OE1 -0.0030 -0.0023 -0.0038 1179 GLU 77 OE2 0.0003 -0.0025 -0.0012 1180 GLU 77 C 0.0033 -0.0086 -0.0096 1181 GLU 77 O 0.0018 -0.0088 -0.0113 1182 HIS 78 N -0.0071 -0.0076 -0.0169 1183 HIS 78 HN -0.0089 -0.0090 -0.0182 1184 HIS 78 CA -0.0083 -0.0070 -0.0144 1185 HIS 78 HA -0.0065 -0.0053 -0.0126 1186 HIS 78 CB -0.0121 -0.0077 -0.0123 1187 HIS 78 HB1 -0.0133 -0.0076 -0.0111 1188 HIS 78 HB2 -0.0138 -0.0093 -0.0141 1189 HIS 78 CD2 -0.0129 -0.0065 -0.0091 1190 HIS 78 HD2 -0.0137 -0.0078 -0.0110 1191 HIS 78 CG -0.0120 -0.0063 -0.0094 1192 HIS 78 NE2 -0.0127 -0.0048 -0.0057 1193 HIS 78 HE2 -0.0131 -0.0046 -0.0048 1194 HIS 78 ND1 -0.0114 -0.0044 -0.0061 1195 HIS 78 HD1 -0.0107 -0.0038 -0.0054 1196 HIS 78 CE1 -0.0118 -0.0036 -0.0040 1197 HIS 78 HE1 -0.0113 -0.0022 -0.0013 1198 HIS 78 C -0.0084 -0.0079 -0.0164 1199 HIS 78 O -0.0099 -0.0098 -0.0190 1200 HIS 79 N -0.0132 -0.0096 -0.0088 1201 HIS 79 HN -0.0104 0.0002 -0.0024 1202 HIS 79 CA -0.0065 -0.0114 -0.0117 1203 HIS 79 HA -0.0145 -0.0199 -0.0158 1204 HIS 79 CB 0.0125 -0.0145 -0.0183 1205 HIS 79 HB1 0.0177 -0.0140 -0.0192 1206 HIS 79 HB2 0.0204 -0.0064 -0.0144 1207 HIS 79 CD2 0.0247 -0.0327 -0.0341 1208 HIS 79 HD2 0.0314 -0.0259 -0.0309 1209 HIS 79 CG 0.0152 -0.0290 -0.0293 1210 HIS 79 NE2 0.0250 -0.0473 -0.0446 1211 HIS 79 HE2 0.0309 -0.0534 -0.0504 1212 HIS 79 ND1 0.0098 -0.0409 -0.0365 1213 HIS 79 HD1 0.0029 -0.0413 -0.0352 1214 HIS 79 CE1 0.0159 -0.0517 -0.0456 1215 HIS 79 HE1 0.0137 -0.0628 -0.0530 1216 HIS 79 C -0.0061 0.0023 -0.0019 1217 HIS 79 O 0.0028 0.0134 0.0039 1218 GLY 80 N -0.0089 0.0334 0.0039 1219 GLY 80 HN -0.0149 0.0346 -0.0026 1220 GLY 80 CA -0.0111 0.0469 0.0155 1221 GLY 80 HA1 -0.0021 0.0463 0.0264 1222 GLY 80 HA2 -0.0196 0.0561 0.0144 1223 GLY 80 C -0.0144 0.0490 0.0135 1224 GLY 80 O -0.0233 0.0484 0.0013 1225 GLY 81 N -0.0084 0.0376 0.0139 1226 GLY 81 HN -0.0059 0.0379 0.0230 1227 GLY 81 CA -0.0079 0.0343 0.0100 1228 GLY 81 HA1 -0.0066 0.0364 0.0182 1229 GLY 81 HA2 -0.0123 0.0388 0.0021 1230 GLY 81 C -0.0026 0.0211 0.0060 1231 GLY 81 O -0.0022 0.0172 0.0007 1232 LYS 82 N 0.0021 0.0149 0.0047 1233 LYS 82 HN 0.0027 0.0154 0.0058 1234 LYS 82 CA 0.0039 0.0097 0.0035 1235 LYS 82 HA 0.0043 0.0098 0.0041 1236 LYS 82 CB 0.0078 0.0067 0.0067 1237 LYS 82 HB1 0.0092 0.0026 0.0057 1238 LYS 82 HB2 0.0074 0.0066 0.0061 1239 LYS 82 CG 0.0105 0.0091 0.0118 1240 LYS 82 HG1 0.0091 0.0133 0.0128 1241 LYS 82 HG2 0.0111 0.0089 0.0124 1242 LYS 82 CD 0.0143 0.0066 0.0150 1243 LYS 82 HD1 0.0159 0.0025 0.0143 1244 LYS 82 HD2 0.0135 0.0065 0.0140 1245 LYS 82 CE 0.0167 0.0095 0.0201 1246 LYS 82 HE1 0.0193 0.0075 0.0222 1247 LYS 82 HE2 0.0151 0.0135 0.0207 1248 LYS 82 NZ 0.0179 0.0097 0.0218 1249 LYS 82 HZ1 0.0193 0.0060 0.0211 1250 LYS 82 HZ2 0.0156 0.0118 0.0202 1251 LYS 82 HZ3 0.0197 0.0115 0.0253 1252 LYS 82 C 0.0015 0.0068 -0.0015 1253 LYS 82 O -0.0004 0.0074 -0.0036 1254 VAL 83 N 0.0016 -0.0007 -0.0046 1255 VAL 83 HN 0.0021 -0.0009 -0.0040 1256 VAL 83 CA 0.0014 -0.0014 -0.0060 1257 VAL 83 HA 0.0011 -0.0013 -0.0065 1258 VAL 83 CB 0.0006 -0.0010 -0.0068 1259 VAL 83 HB -0.0001 -0.0001 -0.0066 1260 VAL 83 CG1 0.0010 -0.0011 -0.0062 1261 VAL 83 HG11 0.0004 -0.0008 -0.0068 1262 VAL 83 HG12 0.0012 -0.0007 -0.0051 1263 VAL 83 HG13 0.0018 -0.0020 -0.0064 1264 VAL 83 CG2 0.0004 -0.0016 -0.0083 1265 VAL 83 HG21 -0.0003 -0.0012 -0.0089 1266 VAL 83 HG22 0.0011 -0.0025 -0.0086 1267 VAL 83 HG23 0.0001 -0.0015 -0.0087 1268 VAL 83 C 0.0024 -0.0027 -0.0062 1269 VAL 83 O 0.0032 -0.0030 -0.0054 1270 SER 84 N 0.0005 -0.0053 -0.0077 1271 SER 84 HN 0.0009 -0.0047 -0.0075 1272 SER 84 CA -0.0002 -0.0051 -0.0074 1273 SER 84 HA -0.0006 -0.0057 -0.0077 1274 SER 84 CB -0.0009 -0.0045 -0.0067 1275 SER 84 HB1 -0.0005 -0.0039 -0.0063 1276 SER 84 HB2 -0.0013 -0.0048 -0.0067 1277 SER 84 OG -0.0016 -0.0045 -0.0064 1278 SER 84 HG1 -0.0021 -0.0042 -0.0060 1279 SER 84 C 0.0005 -0.0048 -0.0074 1280 SER 84 O 0.0013 -0.0043 -0.0073 1281 ILE 85 N 0.0007 -0.0033 -0.0054 1282 ILE 85 HN -0.0003 -0.0038 -0.0054 1283 ILE 85 CA 0.0013 -0.0032 -0.0056 1284 ILE 85 HA 0.0023 -0.0027 -0.0056 1285 ILE 85 CB 0.0013 -0.0043 -0.0066 1286 ILE 85 HB 0.0002 -0.0047 -0.0065 1287 ILE 85 CG2 0.0021 -0.0042 -0.0068 1288 ILE 85 HG21 0.0021 -0.0050 -0.0076 1289 ILE 85 HG22 0.0017 -0.0038 -0.0063 1290 ILE 85 HG23 0.0031 -0.0037 -0.0069 1291 ILE 85 CG1 0.0016 -0.0050 -0.0074 1292 ILE 85 HG11 0.0016 -0.0058 -0.0081 1293 ILE 85 HG12 0.0009 -0.0051 -0.0072 1294 ILE 85 CD 0.0030 -0.0046 -0.0076 1295 ILE 85 HD1 0.0032 -0.0050 -0.0081 1296 ILE 85 HD2 0.0037 -0.0045 -0.0079 1297 ILE 85 HD3 0.0032 -0.0038 -0.0069 1298 ILE 85 C 0.0006 -0.0027 -0.0048 1299 ILE 85 O -0.0005 -0.0031 -0.0046 1300 LYS 86 N 0.0007 -0.0055 -0.0052 1301 LYS 86 HN 0.0036 -0.0049 -0.0051 1302 LYS 86 CA -0.0012 -0.0032 -0.0029 1303 LYS 86 HA -0.0040 -0.0043 -0.0034 1304 LYS 86 CB -0.0025 -0.0003 -0.0002 1305 LYS 86 HB1 -0.0045 -0.0014 -0.0008 1306 LYS 86 HB2 -0.0045 0.0011 0.0014 1307 LYS 86 CG 0.0011 0.0019 0.0012 1308 LYS 86 HG1 0.0029 0.0032 0.0020 1309 LYS 86 HG2 0.0032 0.0005 -0.0004 1310 LYS 86 CD -0.0007 0.0043 0.0036 1311 LYS 86 HD1 -0.0023 0.0029 0.0026 1312 LYS 86 HD2 -0.0031 0.0055 0.0050 1313 LYS 86 CE 0.0026 0.0069 0.0052 1314 LYS 86 HE1 0.0040 0.0085 0.0064 1315 LYS 86 HE2 0.0050 0.0056 0.0037 1316 LYS 86 NZ 0.0006 0.0088 0.0072 1317 LYS 86 HZ1 -0.0026 0.0086 0.0076 1318 LYS 86 HZ2 0.0012 0.0077 0.0062 1319 LYS 86 HZ3 0.0020 0.0111 0.0090 1320 LYS 86 C 0.0017 -0.0020 -0.0023 1321 LYS 86 O 0.0055 -0.0023 -0.0032 1322 GLY 87 N 0.0012 -0.0019 -0.0028 1323 GLY 87 HN -0.0016 -0.0021 -0.0015 1324 GLY 87 CA 0.0053 -0.0005 -0.0045 1325 GLY 87 HA1 0.0058 -0.0032 -0.0050 1326 GLY 87 HA2 0.0081 -0.0000 -0.0057 1327 GLY 87 C 0.0050 0.0043 -0.0038 1328 GLY 87 O 0.0020 0.0071 -0.0020 1329 HIS 88 N 0.0054 0.0008 -0.0056 1330 HIS 88 HN 0.0140 -0.0067 -0.0090 1331 HIS 88 CA 0.0064 0.0143 -0.0098 1332 HIS 88 HA 0.0015 0.0245 -0.0094 1333 HIS 88 CB 0.0216 0.0170 -0.0199 1334 HIS 88 HB1 0.0268 0.0074 -0.0207 1335 HIS 88 HB2 0.0272 0.0165 -0.0234 1336 HIS 88 CD2 0.0304 0.0369 -0.0307 1337 HIS 88 HD2 0.0379 0.0297 -0.0334 1338 HIS 88 CG 0.0228 0.0329 -0.0249 1339 HIS 88 NE2 0.0268 0.0531 -0.0326 1340 HIS 88 HE2 0.0302 0.0598 -0.0365 1341 HIS 88 ND1 0.0145 0.0461 -0.0232 1342 HIS 88 HD1 0.0079 0.0466 -0.0192 1343 HIS 88 CE1 0.0172 0.0579 -0.0279 1344 HIS 88 HE1 0.0121 0.0701 -0.0279 1345 HIS 88 C -0.0022 0.0138 -0.0043 1346 HIS 88 O -0.0045 0.0012 0.0005 1347 HIS 89 N 0.0047 0.0288 -0.0000 1348 HIS 89 HN 0.0130 0.0410 -0.0028 1349 HIS 89 CA -0.0093 0.0296 0.0144 1350 HIS 89 HA -0.0071 0.0431 0.0183 1351 HIS 89 CB -0.0160 0.0141 0.0140 1352 HIS 89 HB1 -0.0259 0.0166 0.0251 1353 HIS 89 HB2 -0.0192 -0.0002 0.0108 1354 HIS 89 CD2 0.0005 0.0006 -0.0086 1355 HIS 89 HD2 -0.0009 -0.0136 -0.0136 1356 HIS 89 CG -0.0053 0.0144 0.0034 1357 HIS 89 NE2 0.0088 0.0080 -0.0135 1358 HIS 89 HE2 0.0141 0.0013 -0.0219 1359 HIS 89 ND1 -0.0007 0.0303 0.0061 1360 HIS 89 HD1 -0.0032 0.0426 0.0141 1361 HIS 89 CE1 0.0077 0.0260 -0.0043 1362 HIS 89 HE1 0.0129 0.0352 -0.0053 1363 HIS 89 C -0.0204 0.0300 0.0257 1364 HIS 89 O -0.0332 0.0291 0.0381 1365 HIS 90 N -0.0064 0.0185 0.0117 1366 HIS 90 HN 0.0033 0.0182 0.0024 1367 HIS 90 CA -0.0131 0.0202 0.0190 1368 HIS 90 HA -0.0049 0.0233 0.0129 1369 HIS 90 CB -0.0190 0.0351 0.0325 1370 HIS 90 HB1 -0.0254 0.0345 0.0383 1371 HIS 90 HB2 -0.0259 0.0345 0.0388 1372 HIS 90 CD2 0.0021 0.0590 0.0251 1373 HIS 90 HD2 0.0033 0.0546 0.0216 1374 HIS 90 CG -0.0074 0.0516 0.0303 1375 HIS 90 NE2 0.0110 0.0743 0.0247 1376 HIS 90 HE2 0.0191 0.0822 0.0212 1377 HIS 90 ND1 -0.0046 0.0629 0.0335 1378 HIS 90 HD1 -0.0106 0.0622 0.0389 1379 HIS 90 CE1 0.0066 0.0762 0.0299 1380 HIS 90 HE1 0.0112 0.0872 0.0314 1381 HIS 90 C -0.0231 0.0038 0.0198 1382 HIS 90 O -0.0310 0.0040 0.0275 1383 HIS 91 N -0.0098 0.0078 0.0169 1384 HIS 91 HN -0.0092 0.0072 0.0146 1385 HIS 91 CA -0.0155 0.0016 0.0140 1386 HIS 91 HA -0.0183 0.0020 0.0199 1387 HIS 91 CB -0.0222 -0.0052 0.0117 1388 HIS 91 HB1 -0.0268 -0.0098 0.0099 1389 HIS 91 HB2 -0.0197 -0.0059 0.0056 1390 HIS 91 CD2 -0.0280 -0.0056 0.0210 1391 HIS 91 HD2 -0.0265 -0.0068 0.0158 1392 HIS 91 CG -0.0266 -0.0049 0.0200 1393 HIS 91 NE2 -0.0317 -0.0043 0.0306 1394 HIS 91 HE2 -0.0334 -0.0040 0.0340 1395 HIS 91 ND1 -0.0295 -0.0033 0.0286 1396 HIS 91 HD1 -0.0293 -0.0025 0.0300 1397 HIS 91 CE1 -0.0325 -0.0029 0.0348 1398 HIS 91 HE1 -0.0352 -0.0015 0.0425 1399 HIS 91 C -0.0118 0.0007 0.0054 1400 HIS 91 O -0.0058 0.0028 -0.0008 1401 TYR 92 N -0.0133 -0.0022 0.0026 1402 TYR 92 HN -0.0144 -0.0017 0.0024 1403 TYR 92 CA -0.0128 -0.0035 0.0014 1404 TYR 92 HA -0.0115 -0.0040 0.0017 1405 TYR 92 CB -0.0134 -0.0039 0.0006 1406 TYR 92 HB1 -0.0132 -0.0049 -0.0004 1407 TYR 92 HB2 -0.0147 -0.0034 0.0004 1408 TYR 92 CG -0.0126 -0.0038 0.0012 1409 TYR 92 CD1 -0.0130 -0.0026 0.0022 1410 TYR 92 HD1 -0.0140 -0.0018 0.0025 1411 TYR 92 CE1 -0.0122 -0.0025 0.0029 1412 TYR 92 HE1 -0.0125 -0.0017 0.0037 1413 TYR 92 CZ -0.0110 -0.0036 0.0025 1414 TYR 92 OH -0.0101 -0.0035 0.0032 1415 TYR 92 HH -0.0092 -0.0043 0.0029 1416 TYR 92 CD2 -0.0113 -0.0048 0.0008 1417 TYR 92 HD2 -0.0110 -0.0057 0.0001 1418 TYR 92 CE2 -0.0106 -0.0047 0.0015 1419 TYR 92 HE2 -0.0096 -0.0056 0.0012 1420 TYR 92 C -0.0133 -0.0040 0.0005 1421 TYR 92 O -0.0146 -0.0035 0.0002 1422 ILE 93 N -0.0053 -0.0030 -0.0027 1423 ILE 93 HN -0.0050 -0.0027 -0.0027 1424 ILE 93 CA -0.0050 -0.0039 -0.0030 1425 ILE 93 HA -0.0050 -0.0040 -0.0030 1426 ILE 93 CB -0.0042 -0.0040 -0.0034 1427 ILE 93 HB -0.0042 -0.0040 -0.0034 1428 ILE 93 CG2 -0.0035 -0.0033 -0.0036 1429 ILE 93 HG21 -0.0029 -0.0034 -0.0039 1430 ILE 93 HG22 -0.0035 -0.0033 -0.0036 1431 ILE 93 HG23 -0.0037 -0.0026 -0.0033 1432 ILE 93 CG1 -0.0039 -0.0050 -0.0037 1433 ILE 93 HG11 -0.0038 -0.0050 -0.0038 1434 ILE 93 HG12 -0.0044 -0.0055 -0.0036 1435 ILE 93 CD -0.0032 -0.0052 -0.0041 1436 ILE 93 HD1 -0.0033 -0.0052 -0.0041 1437 ILE 93 HD2 -0.0030 -0.0059 -0.0044 1438 ILE 93 HD3 -0.0026 -0.0047 -0.0043 1439 ILE 93 C -0.0057 -0.0046 -0.0028 1440 ILE 93 O -0.0059 -0.0046 -0.0027 1441 SER 94 N -0.0074 -0.0042 -0.0006 1442 SER 94 HN -0.0069 -0.0040 -0.0006 1443 SER 94 CA -0.0083 -0.0047 -0.0006 1444 SER 94 HA -0.0088 -0.0049 -0.0007 1445 SER 94 CB -0.0090 -0.0040 -0.0007 1446 SER 94 HB1 -0.0087 -0.0040 -0.0006 1447 SER 94 HB2 -0.0090 -0.0032 -0.0006 1448 SER 94 OG -0.0101 -0.0044 -0.0007 1449 SER 94 HG1 -0.0101 -0.0050 -0.0007 1450 SER 94 C -0.0082 -0.0058 -0.0007 1451 SER 94 O -0.0076 -0.0059 -0.0006 1452 ALA 95 N -0.0041 -0.0044 0.0014 1453 ALA 95 HN -0.0044 -0.0043 0.0014 1454 ALA 95 CA -0.0040 -0.0045 0.0017 1455 ALA 95 HA -0.0037 -0.0046 0.0017 1456 ALA 95 CB -0.0042 -0.0046 0.0019 1457 ALA 95 HB1 -0.0045 -0.0045 0.0020 1458 ALA 95 HB2 -0.0041 -0.0047 0.0022 1459 ALA 95 HB3 -0.0043 -0.0045 0.0018 1460 ALA 95 C -0.0039 -0.0046 0.0019 1461 ALA 95 O -0.0041 -0.0046 0.0019 1462 ASP 96 N -0.0019 -0.0031 0.0052 1463 ASP 96 HN -0.0019 -0.0032 0.0052 1464 ASP 96 CA -0.0013 -0.0031 0.0057 1465 ASP 96 HA -0.0011 -0.0032 0.0054 1466 ASP 96 CB -0.0005 -0.0032 0.0056 1467 ASP 96 HB1 0.0000 -0.0032 0.0059 1468 ASP 96 HB2 -0.0006 -0.0031 0.0058 1469 ASP 96 CG -0.0003 -0.0036 0.0048 1470 ASP 96 OD1 0.0003 -0.0037 0.0047 1471 ASP 96 OD2 -0.0006 -0.0037 0.0043 1472 ASP 96 C -0.0015 -0.0027 0.0065 1473 ASP 96 O -0.0021 -0.0025 0.0067 1474 HIS 97 N -0.0008 -0.0030 0.0065 1475 HIS 97 HN -0.0009 -0.0027 0.0061 1476 HIS 97 CA -0.0009 -0.0034 0.0067 1477 HIS 97 HA -0.0011 -0.0039 0.0068 1478 HIS 97 CB -0.0011 -0.0033 0.0062 1479 HIS 97 HB1 -0.0011 -0.0036 0.0064 1480 HIS 97 HB2 -0.0009 -0.0028 0.0062 1481 HIS 97 CD2 -0.0017 -0.0040 0.0054 1482 HIS 97 HD2 -0.0018 -0.0044 0.0056 1483 HIS 97 CG -0.0014 -0.0034 0.0056 1484 HIS 97 NE2 -0.0019 -0.0038 0.0048 1485 HIS 97 HE2 -0.0022 -0.0042 0.0045 1486 HIS 97 ND1 -0.0014 -0.0029 0.0051 1487 HIS 97 HD1 -0.0012 -0.0025 0.0052 1488 HIS 97 CE1 -0.0017 -0.0032 0.0046 1489 HIS 97 HE1 -0.0018 -0.0030 0.0042 1490 HIS 97 C -0.0006 -0.0033 0.0074 1491 HIS 97 O -0.0007 -0.0036 0.0077 1492 HIS 98 N -0.0001 -0.0006 0.0088 1493 HIS 98 HN 0.0001 -0.0012 0.0083 1494 HIS 98 CA -0.0002 -0.0004 0.0090 1495 HIS 98 HA -0.0009 0.0000 0.0092 1496 HIS 98 CB 0.0007 -0.0002 0.0097 1497 HIS 98 HB1 0.0014 -0.0006 0.0095 1498 HIS 98 HB2 0.0007 0.0003 0.0102 1499 HIS 98 CD2 0.0012 -0.0002 0.0100 1500 HIS 98 HD2 0.0020 -0.0006 0.0099 1501 HIS 98 CG 0.0006 0.0001 0.0099 1502 HIS 98 NE2 0.0008 0.0003 0.0102 1503 HIS 98 HE2 0.0011 0.0002 0.0103 1504 HIS 98 ND1 -0.0003 0.0006 0.0101 1505 HIS 98 HD1 -0.0009 0.0009 0.0101 1506 HIS 98 CE1 -0.0001 0.0007 0.0103 1507 HIS 98 HE1 -0.0007 0.0011 0.0105 1508 HIS 98 C -0.0003 -0.0010 0.0083 1509 HIS 98 O 0.0000 -0.0017 0.0077 1510 GLY 99 N -0.0005 0.0007 0.0080 1511 GLY 99 HN -0.0007 0.0012 0.0085 1512 GLY 99 CA -0.0006 0.0002 0.0072 1513 GLY 99 HA1 0.0000 -0.0003 0.0070 1514 GLY 99 HA2 -0.0007 0.0003 0.0072 1515 GLY 99 C -0.0014 0.0002 0.0063 1516 GLY 99 O -0.0020 0.0007 0.0064 1517 HIS 100 N 0.0034 0.0073 0.0057 1518 HIS 100 HN 0.0042 0.0071 0.0057 1519 HIS 100 CA 0.0002 0.0039 0.0044 1520 HIS 100 HA -0.0028 0.0056 0.0049 1521 HIS 100 CB -0.0012 0.0010 0.0033 1522 HIS 100 HB1 -0.0037 -0.0015 0.0023 1523 HIS 100 HB2 0.0019 -0.0007 0.0028 1524 HIS 100 CD2 -0.0072 0.0062 0.0049 1525 HIS 100 HD2 -0.0092 0.0074 0.0052 1526 HIS 100 CG -0.0035 0.0034 0.0041 1527 HIS 100 NE2 -0.0080 0.0071 0.0052 1528 HIS 100 HE2 -0.0107 0.0089 0.0057 1529 HIS 100 ND1 -0.0020 0.0026 0.0038 1530 HIS 100 HD1 0.0006 0.0006 0.0033 1531 HIS 100 CE1 -0.0049 0.0049 0.0045 1532 HIS 100 HE1 -0.0047 0.0049 0.0045 1533 HIS 100 C 0.0018 0.0008 0.0034 1534 HIS 100 O 0.0055 -0.0012 0.0028 1535 VAL 101 N -0.0022 -0.0009 0.0030 1536 VAL 101 HN -0.0029 -0.0006 0.0032 1537 VAL 101 CA -0.0023 -0.0015 0.0026 1538 VAL 101 HA -0.0017 -0.0015 0.0028 1539 VAL 101 CB -0.0033 -0.0012 0.0027 1540 VAL 101 HB -0.0040 -0.0012 0.0026 1541 VAL 101 CG1 -0.0036 -0.0019 0.0022 1542 VAL 101 HG11 -0.0037 -0.0025 0.0018 1543 VAL 101 HG12 -0.0030 -0.0019 0.0023 1544 VAL 101 HG13 -0.0044 -0.0016 0.0023 1545 VAL 101 CG2 -0.0032 -0.0003 0.0033 1546 VAL 101 HG21 -0.0026 -0.0003 0.0034 1547 VAL 101 HG22 -0.0031 0.0002 0.0036 1548 VAL 101 HG23 -0.0040 -0.0001 0.0033 1549 VAL 101 C -0.0023 -0.0025 0.0020 1550 VAL 101 O -0.0026 -0.0027 0.0018 1551 SER 102 N -0.0037 -0.0053 0.0034 1552 SER 102 HN -0.0042 -0.0046 0.0044 1553 SER 102 CA -0.0032 -0.0060 0.0020 1554 SER 102 HA -0.0030 -0.0065 0.0008 1555 SER 102 CB -0.0019 -0.0073 0.0028 1556 SER 102 HB1 -0.0011 -0.0080 0.0034 1557 SER 102 HB2 -0.0014 -0.0080 0.0015 1558 SER 102 OG -0.0020 -0.0069 0.0042 1559 SER 102 HG1 -0.0019 -0.0068 0.0055 1560 SER 102 C -0.0043 -0.0051 0.0011 1561 SER 102 O -0.0055 -0.0038 0.0009 1562 THR 103 N -0.0111 -0.0055 0.0008 1563 THR 103 HN -0.0108 -0.0064 0.0012 1564 THR 103 CA -0.0117 -0.0040 0.0003 1565 THR 103 HA -0.0124 -0.0032 0.0008 1566 THR 103 CB -0.0111 -0.0035 -0.0015 1567 THR 103 HB -0.0109 -0.0035 -0.0020 1568 THR 103 OG1 -0.0117 -0.0020 -0.0020 1569 THR 103 HG1 -0.0114 -0.0017 -0.0031 1570 THR 103 CG2 -0.0102 -0.0046 -0.0022 1571 THR 103 HG21 -0.0097 -0.0042 -0.0035 1572 THR 103 HG22 -0.0097 -0.0058 -0.0019 1573 THR 103 HG23 -0.0104 -0.0045 -0.0018 1574 THR 103 C -0.0120 -0.0041 0.0011 1575 THR 103 O -0.0114 -0.0053 0.0013 1576 LYS 104 N -0.0187 0.0016 0.0038 1577 LYS 104 HN -0.0173 0.0013 0.0038 1578 LYS 104 CA -0.0186 0.0012 0.0047 1579 LYS 104 HA -0.0202 0.0012 0.0057 1580 LYS 104 CB -0.0183 0.0019 0.0030 1581 LYS 104 HB1 -0.0197 0.0026 0.0020 1582 LYS 104 HB2 -0.0185 0.0016 0.0038 1583 LYS 104 CG -0.0161 0.0019 0.0015 1584 LYS 104 HG1 -0.0147 0.0012 0.0024 1585 LYS 104 HG2 -0.0157 0.0020 0.0009 1586 LYS 104 CD -0.0161 0.0027 -0.0005 1587 LYS 104 HD1 -0.0174 0.0035 -0.0015 1588 LYS 104 HD2 -0.0167 0.0026 0.0001 1589 LYS 104 CE -0.0138 0.0027 -0.0018 1590 LYS 104 HE1 -0.0126 0.0019 -0.0007 1591 LYS 104 HE2 -0.0132 0.0028 -0.0025 1592 LYS 104 NZ -0.0138 0.0034 -0.0036 1593 LYS 104 HZ1 -0.0122 0.0031 -0.0039 1594 LYS 104 HZ2 -0.0149 0.0036 -0.0033 1595 LYS 104 HZ3 -0.0141 0.0041 -0.0052 1596 LYS 104 C -0.0169 0.0001 0.0064 1597 LYS 104 O -0.0153 -0.0003 0.0064 1598 GLU 105 N -0.0388 0.0174 0.0052 1599 GLU 105 HN -0.0486 0.0223 0.0042 1600 GLU 105 CA -0.0274 0.0089 0.0158 1601 GLU 105 HA -0.0214 0.0043 0.0222 1602 GLU 105 CB -0.0355 0.0091 0.0300 1603 GLU 105 HB1 -0.0418 0.0138 0.0238 1604 GLU 105 HB2 -0.0451 0.0115 0.0382 1605 GLU 105 CG -0.0237 0.0001 0.0421 1606 GLU 105 HG1 -0.0171 -0.0047 0.0480 1607 GLU 105 HG2 -0.0146 -0.0024 0.0349 1608 GLU 105 CD -0.0326 0.0004 0.0570 1609 GLU 105 OE1 -0.0365 -0.0015 0.0714 1610 GLU 105 OE2 -0.0353 0.0025 0.0541 1611 GLU 105 C -0.0145 0.0058 0.0039 1612 GLU 105 O -0.0184 0.0108 -0.0077 1613 HIS 106 N -0.0085 -0.0130 -0.0026 1614 HIS 106 HN -0.0274 -0.0248 -0.0009 1615 HIS 106 CA -0.0029 -0.0172 -0.0092 1616 HIS 106 HA -0.0175 -0.0369 -0.0166 1617 HIS 106 CB 0.0283 -0.0181 -0.0286 1618 HIS 106 HB1 0.0291 -0.0233 -0.0333 1619 HIS 106 HB2 0.0452 0.0013 -0.0229 1620 HIS 106 CD2 0.0573 -0.0366 -0.0608 1621 HIS 106 HD2 0.0742 -0.0190 -0.0566 1622 HIS 106 CG 0.0358 -0.0390 -0.0500 1623 HIS 106 NE2 0.0531 -0.0618 -0.0788 1624 HIS 106 HE2 0.0619 -0.0662 -0.0875 1625 HIS 106 ND1 0.0186 -0.0654 -0.0611 1626 HIS 106 HD1 0.0015 -0.0729 -0.0570 1627 HIS 106 CE1 0.0296 -0.0784 -0.0783 1628 HIS 106 HE1 0.0206 -0.0997 -0.0901 1629 HIS 106 C -0.0120 0.0004 0.0104 1630 HIS 106 O -0.0078 0.0242 0.0271 1631 HIS 107 N -0.0091 -0.0056 -0.0007 1632 HIS 107 HN -0.0080 -0.0068 0.0005 1633 HIS 107 CA -0.0078 -0.0051 -0.0028 1634 HIS 107 HA -0.0090 -0.0044 -0.0028 1635 HIS 107 CB -0.0052 -0.0067 -0.0024 1636 HIS 107 HB1 -0.0041 -0.0074 -0.0020 1637 HIS 107 HB2 -0.0055 -0.0074 -0.0007 1638 HIS 107 CD2 -0.0016 -0.0063 -0.0064 1639 HIS 107 HD2 -0.0007 -0.0066 -0.0066 1640 HIS 107 CG -0.0036 -0.0063 -0.0045 1641 HIS 107 NE2 -0.0009 -0.0057 -0.0080 1642 HIS 107 HE2 0.0004 -0.0055 -0.0097 1643 HIS 107 ND1 -0.0041 -0.0057 -0.0050 1644 HIS 107 HD1 -0.0055 -0.0056 -0.0040 1645 HIS 107 CE1 -0.0025 -0.0054 -0.0071 1646 HIS 107 HE1 -0.0024 -0.0049 -0.0081 1647 HIS 107 C -0.0074 -0.0039 -0.0054 1648 HIS 107 O -0.0068 -0.0040 -0.0057 1649 ASP 108 N -0.0040 -0.0059 -0.0004 1650 ASP 108 HN -0.0045 -0.0058 -0.0002 1651 ASP 108 CA -0.0034 -0.0052 -0.0008 1652 ASP 108 HA -0.0028 -0.0055 -0.0010 1653 ASP 108 CB -0.0036 -0.0047 -0.0008 1654 ASP 108 HB1 -0.0041 -0.0043 -0.0005 1655 ASP 108 HB2 -0.0036 -0.0052 -0.0007 1656 ASP 108 CG -0.0029 -0.0041 -0.0011 1657 ASP 108 OD1 -0.0024 -0.0039 -0.0014 1658 ASP 108 OD2 -0.0030 -0.0038 -0.0011 1659 ASP 108 C -0.0036 -0.0046 -0.0008 1660 ASP 108 O -0.0042 -0.0046 -0.0005 1661 HIS 109 N -0.0027 -0.0072 0.0091 1662 HIS 109 HN -0.0037 -0.0087 0.0115 1663 HIS 109 CA -0.0017 -0.0050 0.0044 1664 HIS 109 HA 0.0005 -0.0030 0.0032 1665 HIS 109 CB 0.0005 -0.0035 0.0049 1666 HIS 109 HB1 0.0004 -0.0024 0.0011 1667 HIS 109 HB2 -0.0011 -0.0054 0.0073 1668 HIS 109 CD2 0.0076 -0.0005 0.0116 1669 HIS 109 HD2 0.0066 -0.0021 0.0145 1670 HIS 109 CG 0.0052 -0.0008 0.0072 1671 HIS 109 NE2 0.0118 0.0024 0.0120 1672 HIS 109 HE2 0.0143 0.0033 0.0149 1673 HIS 109 ND1 0.0080 0.0020 0.0049 1674 HIS 109 HD1 0.0072 0.0024 0.0017 1675 HIS 109 CE1 0.0119 0.0038 0.0080 1676 HIS 109 HE1 0.0148 0.0061 0.0072 1677 HIS 109 C -0.0056 -0.0064 0.0001 1678 HIS 109 O -0.0051 -0.0046 -0.0043 1679 ASP 110 N -0.0071 -0.0060 -0.0019 1680 ASP 110 HN -0.0076 -0.0056 -0.0018 1681 ASP 110 CA -0.0072 -0.0058 -0.0018 1682 ASP 110 HA -0.0073 -0.0062 -0.0025 1683 ASP 110 CB -0.0082 -0.0050 -0.0014 1684 ASP 110 HB1 -0.0082 -0.0049 -0.0013 1685 ASP 110 HB2 -0.0081 -0.0046 -0.0008 1686 ASP 110 CG -0.0092 -0.0049 -0.0021 1687 ASP 110 OD1 -0.0092 -0.0055 -0.0030 1688 ASP 110 OD2 -0.0099 -0.0043 -0.0018 1689 ASP 110 C -0.0064 -0.0058 -0.0011 1690 ASP 110 O -0.0062 -0.0059 -0.0011 1691 THR 111 N -0.0078 -0.0055 -0.0038 1692 THR 111 HN -0.0078 -0.0053 -0.0035 1693 THR 111 CA -0.0068 -0.0053 -0.0031 1694 THR 111 HA -0.0071 -0.0054 -0.0034 1695 THR 111 CB -0.0069 -0.0047 -0.0016 1696 THR 111 HB -0.0064 -0.0046 -0.0011 1697 THR 111 OG1 -0.0064 -0.0046 -0.0010 1698 THR 111 HG1 -0.0054 -0.0048 -0.0011 1699 THR 111 CG2 -0.0085 -0.0043 -0.0013 1700 THR 111 HG21 -0.0090 -0.0043 -0.0017 1701 THR 111 HG22 -0.0085 -0.0038 -0.0002 1702 THR 111 HG23 -0.0089 -0.0043 -0.0017 1703 THR 111 C -0.0054 -0.0057 -0.0034 1704 THR 111 O -0.0044 -0.0057 -0.0027 1705 THR 112 N -0.0013 -0.0064 -0.0008 1706 THR 112 HN -0.0015 -0.0065 -0.0009 1707 THR 112 CA 0.0001 -0.0054 -0.0011 1708 THR 112 HA 0.0001 -0.0054 -0.0011 1709 THR 112 CB 0.0017 -0.0053 0.0000 1710 THR 112 HB 0.0018 -0.0052 -0.0000 1711 THR 112 OG1 0.0018 -0.0062 0.0015 1712 THR 112 HG1 0.0009 -0.0069 0.0019 1713 THR 112 CG2 0.0031 -0.0042 -0.0004 1714 THR 112 HG21 0.0030 -0.0042 -0.0004 1715 THR 112 HG22 0.0043 -0.0041 0.0005 1716 THR 112 HG23 0.0033 -0.0034 -0.0015 1717 THR 112 C 0.0001 -0.0044 -0.0027 1718 THR 112 O -0.0001 -0.0043 -0.0030 1719 PHE 113 N 0.0011 -0.0041 -0.0003 1720 PHE 113 HN 0.0015 -0.0036 -0.0003 1721 PHE 113 CA 0.0011 -0.0042 -0.0014 1722 PHE 113 HA 0.0008 -0.0047 -0.0012 1723 PHE 113 CB 0.0008 -0.0047 -0.0027 1724 PHE 113 HB1 0.0007 -0.0049 -0.0035 1725 PHE 113 HB2 0.0013 -0.0041 -0.0030 1726 PHE 113 CG 0.0000 -0.0058 -0.0024 1727 PHE 113 CD1 -0.0001 -0.0059 -0.0026 1728 PHE 113 HD1 0.0004 -0.0053 -0.0030 1729 PHE 113 CE1 -0.0008 -0.0069 -0.0023 1730 PHE 113 HE1 -0.0008 -0.0070 -0.0025 1731 PHE 113 CZ -0.0014 -0.0077 -0.0017 1732 PHE 113 HZ -0.0019 -0.0085 -0.0014 1733 PHE 113 CD2 -0.0006 -0.0066 -0.0018 1734 PHE 113 HD2 -0.0005 -0.0065 -0.0016 1735 PHE 113 CE2 -0.0013 -0.0076 -0.0015 1736 PHE 113 HE2 -0.0018 -0.0082 -0.0010 1737 PHE 113 C 0.0019 -0.0031 -0.0017 1738 PHE 113 O 0.0025 -0.0023 -0.0012 1739 GLU 114 N 0.0038 -0.0022 0.0017 1740 GLU 114 HN 0.0042 -0.0047 0.0018 1741 GLU 114 CA 0.0031 0.0025 0.0018 1742 GLU 114 HA 0.0026 0.0048 0.0004 1743 GLU 114 CB 0.0034 0.0040 0.0067 1744 GLU 114 HB1 0.0029 0.0077 0.0067 1745 GLU 114 HB2 0.0039 0.0018 0.0080 1746 GLU 114 CG 0.0038 0.0038 0.0103 1747 GLU 114 HG1 0.0044 0.0001 0.0109 1748 GLU 114 HG2 0.0034 0.0057 0.0089 1749 GLU 114 CD 0.0040 0.0059 0.0150 1750 GLU 114 OE1 0.0042 0.0066 0.0178 1751 GLU 114 OE2 0.0040 0.0069 0.0157 1752 GLU 114 C 0.0027 0.0028 -0.0013 1753 GLU 114 O 0.0031 -0.0006 -0.0025 1754 GLU 115 N 0.0042 -0.0000 0.0005 1755 GLU 115 HN 0.0033 0.0014 0.0005 1756 GLU 115 CA 0.0045 -0.0004 0.0002 1757 GLU 115 HA 0.0055 -0.0009 -0.0013 1758 GLU 115 CB 0.0034 0.0017 -0.0003 1759 GLU 115 HB1 0.0035 0.0015 -0.0002 1760 GLU 115 HB2 0.0023 0.0025 0.0011 1761 GLU 115 CG 0.0035 0.0030 -0.0025 1762 GLU 115 HG1 0.0034 0.0033 -0.0026 1763 GLU 115 HG2 0.0046 0.0023 -0.0038 1764 GLU 115 CD 0.0024 0.0051 -0.0028 1765 GLU 115 OE1 0.0022 0.0051 -0.0025 1766 GLU 115 OE2 0.0017 0.0066 -0.0035 1767 GLU 115 C 0.0047 -0.0019 0.0020 1768 GLU 115 O 0.0041 -0.0022 0.0039 1769 ILE 116 N 0.0053 -0.0033 0.0018 1770 ILE 116 HN 0.0057 -0.0031 0.0007 1771 ILE 116 CA 0.0054 -0.0043 0.0022 1772 ILE 116 HA 0.0049 -0.0045 0.0033 1773 ILE 116 CB 0.0059 -0.0057 0.0015 1774 ILE 116 HB 0.0064 -0.0055 0.0003 1775 ILE 116 CG2 0.0059 -0.0066 0.0021 1776 ILE 116 HG21 0.0058 -0.0059 0.0019 1777 ILE 116 HG22 0.0063 -0.0076 0.0015 1778 ILE 116 HG23 0.0055 -0.0070 0.0032 1779 ILE 116 CG1 0.0060 -0.0067 0.0017 1780 ILE 116 HG11 0.0056 -0.0070 0.0029 1781 ILE 116 HG12 0.0061 -0.0061 0.0014 1782 ILE 116 CD 0.0066 -0.0082 0.0010 1783 ILE 116 HD1 0.0071 -0.0079 -0.0002 1784 ILE 116 HD2 0.0067 -0.0088 0.0012 1785 ILE 116 HD3 0.0066 -0.0089 0.0014 1786 ILE 116 C 0.0053 -0.0034 0.0018 1787 ILE 116 O 0.0057 -0.0027 0.0006 1788 ILE 117 N 0.0064 -0.0022 0.0065 1789 ILE 117 HN 0.0075 -0.0039 0.0101 1790 ILE 117 CA 0.0033 0.0020 0.0075 1791 ILE 117 HA 0.0018 0.0043 0.0038 1792 ILE 117 CB 0.0013 0.0045 0.0127 1793 ILE 117 HB 0.0029 0.0020 0.0164 1794 ILE 117 CG2 -0.0017 0.0084 0.0143 1795 ILE 117 HG21 -0.0032 0.0102 0.0179 1796 ILE 117 HG22 -0.0007 0.0070 0.0156 1797 ILE 117 HG23 -0.0033 0.0108 0.0107 1798 ILE 117 CG1 -0.0001 0.0064 0.0117 1799 ILE 117 HG11 -0.0006 0.0074 0.0072 1800 ILE 117 HG12 -0.0026 0.0096 0.0141 1801 ILE 117 CD 0.0021 0.0032 0.0137 1802 ILE 117 HD1 0.0046 0.0001 0.0113 1803 ILE 117 HD2 0.0025 0.0024 0.0183 1804 ILE 117 HD3 0.0008 0.0050 0.0131 1805 ILE 117 C 0.0041 0.0009 0.0076 1806 ILE 117 O 0.0064 -0.0024 0.0104 1807 ILE 118 N 0.0040 0.0039 0.0066 1808 ILE 118 HN 0.0032 0.0068 0.0053 1809 ILE 118 CA 0.0030 0.0073 0.0086 1810 ILE 118 HA 0.0055 -0.0010 0.0048 1811 ILE 118 CB 0.0046 0.0029 -0.0019 1812 ILE 118 HB 0.0035 0.0068 -0.0030 1813 ILE 118 CG2 0.0052 0.0013 -0.0050 1814 ILE 118 HG21 0.0053 0.0014 -0.0091 1815 ILE 118 HG22 0.0044 0.0039 -0.0043 1816 ILE 118 HG23 0.0062 -0.0024 -0.0038 1817 ILE 118 CG1 0.0056 -0.0002 -0.0036 1818 ILE 118 HG11 0.0056 0.0002 -0.0078 1819 ILE 118 HG12 0.0050 0.0015 -0.0019 1820 ILE 118 CD 0.0071 -0.0056 -0.0021 1821 ILE 118 HD1 0.0077 -0.0075 -0.0033 1822 ILE 118 HD2 0.0077 -0.0075 -0.0039 1823 ILE 118 HD3 0.0071 -0.0061 0.0021 1824 ILE 118 C 0.0034 0.0062 0.0053 1825 ILE 118 OT1 0.0021 0.0107 0.0052 1826 ILE 118 OT2 0.0028 0.0080 0.0082