1 ASP 28 N 0.0005 -0.0000 -0.0119 2 ASP 28 CA 0.0006 0.0016 -0.0085 3 ASP 28 C 0.0017 -0.0011 -0.0058 4 ASP 28 O 0.0022 -0.0037 -0.0062 5 ASP 28 CB 0.0002 0.0037 -0.0081 6 ASP 28 CG 0.0003 0.0055 -0.0046 7 ASP 28 OD1 -0.0001 0.0078 -0.0038 8 ASP 28 OD2 0.0007 0.0048 -0.0028 9 ASP 28 H -0.0002 0.0018 -0.0138 10 ASP 28 HA 0.0003 0.0032 -0.0081 11 ASP 28 HB2 -0.0006 0.0057 -0.0101 12 ASP 28 HB3 0.0005 0.0021 -0.0086 13 PRO 29 N 0.0032 -0.0015 -0.0047 14 PRO 29 CA 0.0041 -0.0035 -0.0024 15 PRO 29 C 0.0033 -0.0027 -0.0022 16 PRO 29 O 0.0013 -0.0004 -0.0018 17 PRO 29 CB 0.0031 -0.0038 0.0009 18 PRO 29 CG 0.0023 -0.0025 0.0001 19 PRO 29 CD 0.0017 -0.0005 -0.0030 20 PRO 29 HA 0.0059 -0.0054 -0.0032 21 PRO 29 HB2 0.0017 -0.0027 0.0023 22 PRO 29 HB3 0.0044 -0.0058 0.0021 23 PRO 29 HG2 0.0009 -0.0016 0.0021 24 PRO 29 HG3 0.0037 -0.0040 -0.0002 25 PRO 29 HD2 -0.0000 0.0014 -0.0025 26 PRO 29 HD3 0.0021 -0.0004 -0.0044 27 ASN 30 N 0.0022 0.0026 -0.0048 28 ASN 30 CA 0.0023 0.0028 -0.0065 29 ASN 30 C 0.0034 -0.0005 -0.0037 30 ASN 30 O 0.0051 -0.0041 -0.0053 31 ASN 30 CB 0.0031 0.0022 -0.0118 32 ASN 30 CG 0.0033 0.0023 -0.0139 33 ASN 30 OD1 0.0020 0.0057 -0.0153 34 ASN 30 ND2 0.0050 -0.0015 -0.0143 35 ASN 30 H 0.0010 0.0053 -0.0041 36 ASN 30 HA 0.0009 0.0060 -0.0058 37 ASN 30 HB2 0.0022 0.0049 -0.0134 38 ASN 30 HB3 0.0044 -0.0008 -0.0123 39 ASN 30 HD21 0.0060 -0.0041 -0.0133 40 ASN 30 HD22 0.0051 -0.0015 -0.0157 41 ALA 31 N 0.0010 -0.0030 0.0040 42 ALA 31 CA 0.0014 -0.0041 0.0053 43 ALA 31 C 0.0003 -0.0036 0.0068 44 ALA 31 O -0.0002 -0.0035 0.0078 45 ALA 31 CB 0.0021 -0.0052 0.0057 46 ALA 31 H 0.0002 -0.0022 0.0043 47 ALA 31 HA 0.0019 -0.0045 0.0049 48 ALA 31 HB1 0.0024 -0.0061 0.0067 49 ALA 31 HB2 0.0016 -0.0049 0.0061 50 ALA 31 HB3 0.0028 -0.0056 0.0047 51 GLU 32 N 0.0019 -0.0022 0.0049 52 GLU 32 CA 0.0021 -0.0019 0.0050 53 GLU 32 C 0.0021 -0.0019 0.0050 54 GLU 32 O 0.0022 -0.0017 0.0051 55 GLU 32 CB 0.0021 -0.0016 0.0048 56 GLU 32 CG 0.0018 -0.0015 0.0044 57 GLU 32 CD 0.0019 -0.0012 0.0042 58 GLU 32 OE1 0.0020 -0.0009 0.0041 59 GLU 32 OE2 0.0018 -0.0012 0.0041 60 GLU 32 H 0.0017 -0.0022 0.0047 61 GLU 32 HA 0.0023 -0.0019 0.0053 62 GLU 32 HB2 0.0023 -0.0013 0.0048 63 GLU 32 HB3 0.0021 -0.0016 0.0048 64 GLU 32 HG2 0.0017 -0.0018 0.0043 65 GLU 32 HG3 0.0018 -0.0015 0.0044 66 PHE 33 N 0.0018 -0.0023 0.0049 67 PHE 33 CA 0.0016 -0.0028 0.0048 68 PHE 33 C 0.0011 -0.0027 0.0049 69 PHE 33 O 0.0010 -0.0021 0.0051 70 PHE 33 CB 0.0022 -0.0031 0.0046 71 PHE 33 CG 0.0025 -0.0026 0.0047 72 PHE 33 CD1 0.0023 -0.0025 0.0048 73 PHE 33 CD2 0.0030 -0.0023 0.0047 74 PHE 33 CE1 0.0026 -0.0021 0.0048 75 PHE 33 CE2 0.0033 -0.0019 0.0048 76 PHE 33 CZ 0.0032 -0.0018 0.0049 77 PHE 33 H 0.0021 -0.0020 0.0050 78 PHE 33 HA 0.0015 -0.0031 0.0047 79 PHE 33 HB2 0.0020 -0.0034 0.0045 80 PHE 33 HB3 0.0025 -0.0032 0.0045 81 PHE 33 HD1 0.0019 -0.0027 0.0048 82 PHE 33 HD2 0.0032 -0.0024 0.0046 83 PHE 33 HE1 0.0025 -0.0020 0.0049 84 PHE 33 HE2 0.0038 -0.0017 0.0048 85 PHE 33 HZ 0.0034 -0.0015 0.0049 86 ASP 34 N 0.0009 -0.0019 0.0041 87 ASP 34 CA -0.0005 -0.0023 0.0048 88 ASP 34 C -0.0019 -0.0026 0.0043 89 ASP 34 O -0.0020 -0.0025 0.0029 90 ASP 34 CB -0.0007 -0.0023 0.0041 91 ASP 34 CG -0.0020 -0.0027 0.0049 92 ASP 34 OD1 -0.0034 -0.0030 0.0046 93 ASP 34 OD2 -0.0017 -0.0027 0.0060 94 ASP 34 H 0.0011 -0.0018 0.0030 95 ASP 34 HA -0.0004 -0.0023 0.0061 96 ASP 34 HB2 0.0003 -0.0020 0.0043 97 ASP 34 HB3 -0.0010 -0.0022 0.0029 98 PRO 35 N -0.0020 -0.0023 0.0049 99 PRO 35 CA -0.0032 -0.0024 0.0047 100 PRO 35 C -0.0044 -0.0024 0.0040 101 PRO 35 O -0.0055 -0.0025 0.0039 102 PRO 35 CB -0.0035 -0.0026 0.0062 103 PRO 35 CG -0.0031 -0.0026 0.0070 104 PRO 35 CD -0.0019 -0.0024 0.0063 105 PRO 35 HA -0.0030 -0.0023 0.0042 106 PRO 35 HB2 -0.0046 -0.0027 0.0063 107 PRO 35 HB3 -0.0029 -0.0026 0.0066 108 PRO 35 HG2 -0.0040 -0.0027 0.0069 109 PRO 35 HG3 -0.0029 -0.0027 0.0080 110 PRO 35 HD2 -0.0019 -0.0024 0.0062 111 PRO 35 HD3 -0.0009 -0.0024 0.0068 112 ASP 36 N -0.0062 -0.0038 0.0048 113 ASP 36 CA -0.0085 -0.0052 0.0039 114 ASP 36 C -0.0080 -0.0051 0.0010 115 ASP 36 O -0.0097 -0.0062 -0.0008 116 ASP 36 CB -0.0094 -0.0056 0.0063 117 ASP 36 CG -0.0117 -0.0070 0.0054 118 ASP 36 OD1 -0.0139 -0.0082 0.0054 119 ASP 36 OD2 -0.0114 -0.0068 0.0046 120 ASP 36 H -0.0048 -0.0029 0.0057 121 ASP 36 HA -0.0100 -0.0061 0.0036 122 ASP 36 HB2 -0.0099 -0.0057 0.0083 123 ASP 36 HB3 -0.0078 -0.0046 0.0067 124 LEU 37 N -0.0049 -0.0004 0.0004 125 LEU 37 CA -0.0043 -0.0003 -0.0013 126 LEU 37 C -0.0041 -0.0003 -0.0016 127 LEU 37 O -0.0033 -0.0006 -0.0006 128 LEU 37 CB -0.0028 -0.0005 -0.0019 129 LEU 37 CG -0.0030 -0.0004 -0.0022 130 LEU 37 CD1 -0.0042 0.0000 -0.0035 131 LEU 37 CD2 -0.0034 -0.0005 -0.0006 132 LEU 37 H -0.0040 -0.0007 0.0012 133 LEU 37 HA -0.0054 0.0000 -0.0021 134 LEU 37 HB2 -0.0019 -0.0008 -0.0009 135 LEU 37 HB3 -0.0023 -0.0004 -0.0030 136 LEU 37 HG -0.0018 -0.0006 -0.0026 137 LEU 37 HD11 -0.0043 0.0001 -0.0037 138 LEU 37 HD12 -0.0054 0.0002 -0.0031 139 LEU 37 HD13 -0.0038 0.0001 -0.0047 140 LEU 37 HD21 -0.0035 -0.0005 -0.0009 141 LEU 37 HD22 -0.0025 -0.0009 0.0003 142 LEU 37 HD23 -0.0046 -0.0004 -0.0001 143 PRO 38 N -0.0037 -0.0011 -0.0021 144 PRO 38 CA -0.0027 -0.0013 -0.0030 145 PRO 38 C -0.0016 -0.0010 -0.0032 146 PRO 38 O -0.0017 -0.0010 -0.0033 147 PRO 38 CB -0.0033 -0.0024 -0.0039 148 PRO 38 CG -0.0046 -0.0027 -0.0035 149 PRO 38 CD -0.0049 -0.0019 -0.0024 150 PRO 38 HA -0.0025 -0.0011 -0.0029 151 PRO 38 HB2 -0.0030 -0.0026 -0.0044 152 PRO 38 HB3 -0.0030 -0.0027 -0.0044 153 PRO 38 HG2 -0.0051 -0.0033 -0.0040 154 PRO 38 HG3 -0.0050 -0.0027 -0.0033 155 PRO 38 HD2 -0.0050 -0.0020 -0.0025 156 PRO 38 HD3 -0.0057 -0.0018 -0.0019 157 GLY 39 N -0.0004 -0.0003 -0.0038 158 GLY 39 CA 0.0003 0.0006 -0.0040 159 GLY 39 C 0.0004 0.0014 -0.0031 160 GLY 39 O 0.0007 0.0020 -0.0030 161 GLY 39 H -0.0004 -0.0005 -0.0041 162 GLY 39 HA2 0.0007 0.0007 -0.0046 163 GLY 39 HA3 0.0003 0.0004 -0.0043 164 GLY 40 N -0.0002 -0.0001 -0.0015 165 GLY 40 CA 0.0002 0.0001 -0.0005 166 GLY 40 C 0.0005 0.0002 -0.0004 167 GLY 40 O 0.0010 0.0003 0.0003 168 GLY 40 H -0.0010 -0.0003 -0.0015 169 GLY 40 HA2 -0.0003 -0.0001 0.0002 170 GLY 40 HA3 0.0010 0.0003 -0.0004 171 GLY 41 N -0.0005 0.0003 -0.0017 172 GLY 41 CA -0.0006 0.0002 -0.0021 173 GLY 41 C 0.0000 -0.0001 -0.0024 174 GLY 41 O 0.0001 -0.0002 -0.0027 175 GLY 41 H -0.0007 0.0003 -0.0019 176 GLY 41 HA2 -0.0010 0.0001 -0.0025 177 GLY 41 HA3 -0.0008 0.0003 -0.0019 178 LEU 42 N 0.0009 0.0005 -0.0017 179 LEU 42 CA 0.0021 0.0007 -0.0019 180 LEU 42 C 0.0023 0.0009 -0.0033 181 LEU 42 O 0.0033 0.0011 -0.0037 182 LEU 42 CB 0.0025 0.0008 -0.0014 183 LEU 42 CG 0.0024 0.0006 -0.0000 184 LEU 42 CD1 0.0029 0.0006 0.0004 185 LEU 42 CD2 0.0031 0.0007 0.0006 186 LEU 42 H 0.0004 0.0004 -0.0016 187 LEU 42 HA 0.0026 0.0008 -0.0016 188 LEU 42 HB2 0.0020 0.0007 -0.0018 189 LEU 42 HB3 0.0034 0.0009 -0.0016 190 LEU 42 HG 0.0015 0.0005 0.0002 191 LEU 42 HD11 0.0028 0.0006 0.0014 192 LEU 42 HD12 0.0038 0.0008 0.0002 193 LEU 42 HD13 0.0023 0.0006 0.0000 194 LEU 42 HD21 0.0040 0.0008 0.0004 195 LEU 42 HD22 0.0030 0.0006 0.0015 196 LEU 42 HD23 0.0027 0.0006 0.0003 197 HIS 43 N -0.0016 0.0033 -0.0009 198 HIS 43 CA -0.0014 0.0025 -0.0008 199 HIS 43 C -0.0016 0.0007 0.0008 200 HIS 43 O -0.0010 -0.0011 0.0005 201 HIS 43 CB -0.0002 0.0018 -0.0027 202 HIS 43 CG 0.0002 0.0035 -0.0045 203 HIS 43 ND1 -0.0000 0.0050 -0.0050 204 HIS 43 CD2 0.0007 0.0038 -0.0059 205 HIS 43 CE1 0.0004 0.0062 -0.0067 206 HIS 43 NE2 0.0009 0.0055 -0.0072 207 HIS 43 H -0.0012 0.0023 -0.0010 208 HIS 43 HA -0.0019 0.0037 -0.0003 209 HIS 43 HB2 0.0003 0.0004 -0.0030 210 HIS 43 HB3 -0.0002 0.0014 -0.0026 211 HIS 43 HD1 -0.0005 0.0052 -0.0043 212 HIS 43 HD2 0.0011 0.0028 -0.0060 213 HIS 43 HE1 0.0004 0.0075 -0.0074 214 HIS 43 HE2 0.0011 0.0062 -0.0082 215 ARG 44 N -0.0030 -0.0042 0.0005 216 ARG 44 CA -0.0030 -0.0029 -0.0011 217 ARG 44 C -0.0032 -0.0042 -0.0012 218 ARG 44 O -0.0035 -0.0065 -0.0010 219 ARG 44 CB -0.0033 -0.0029 -0.0038 220 ARG 44 CG -0.0033 -0.0023 -0.0041 221 ARG 44 CD -0.0036 -0.0027 -0.0068 222 ARG 44 NE -0.0036 -0.0023 -0.0074 223 ARG 44 CZ -0.0039 -0.0022 -0.0096 224 ARG 44 NH1 -0.0042 -0.0026 -0.0116 225 ARG 44 NH2 -0.0039 -0.0018 -0.0100 226 ARG 44 H -0.0033 -0.0060 0.0002 227 ARG 44 HA -0.0026 -0.0010 -0.0006 228 ARG 44 HB2 -0.0037 -0.0047 -0.0045 229 ARG 44 HB3 -0.0032 -0.0016 -0.0048 230 ARG 44 HG2 -0.0029 -0.0004 -0.0036 231 ARG 44 HG3 -0.0033 -0.0036 -0.0030 232 ARG 44 HD2 -0.0040 -0.0045 -0.0074 233 ARG 44 HD3 -0.0036 -0.0014 -0.0079 234 ARG 44 HE -0.0034 -0.0020 -0.0059 235 ARG 44 HH11 -0.0042 -0.0029 -0.0114 236 ARG 44 HH12 -0.0044 -0.0026 -0.0133 237 ARG 44 HH21 -0.0037 -0.0015 -0.0085 238 ARG 44 HH22 -0.0041 -0.0017 -0.0116 239 CYS 45 N -0.0055 -0.0033 0.0017 240 CYS 45 CA -0.0060 -0.0037 0.0026 241 CYS 45 C -0.0052 -0.0033 -0.0007 242 CYS 45 O -0.0031 -0.0010 -0.0018 243 CYS 45 CB -0.0048 -0.0018 0.0058 244 CYS 45 SG -0.0050 -0.0019 0.0067 245 CYS 45 H -0.0039 -0.0015 0.0015 246 CYS 45 HA -0.0079 -0.0058 0.0032 247 CYS 45 HB2 -0.0057 -0.0024 0.0081 248 CYS 45 HB3 -0.0030 0.0002 0.0055 249 LEU 46 N -0.0061 -0.0058 -0.0052 250 LEU 46 CA -0.0038 -0.0058 -0.0120 251 LEU 46 C -0.0009 -0.0008 -0.0128 252 LEU 46 O 0.0022 0.0022 -0.0174 253 LEU 46 CB -0.0063 -0.0120 -0.0149 254 LEU 46 CG -0.0092 -0.0173 -0.0148 255 LEU 46 CD1 -0.0116 -0.0233 -0.0172 256 LEU 46 CD2 -0.0074 -0.0166 -0.0188 257 LEU 46 H -0.0086 -0.0093 -0.0030 258 LEU 46 HA -0.0025 -0.0050 -0.0147 259 LEU 46 HB2 -0.0076 -0.0129 -0.0122 260 LEU 46 HB3 -0.0046 -0.0119 -0.0199 261 LEU 46 HG -0.0107 -0.0173 -0.0098 262 LEU 46 HD11 -0.0130 -0.0240 -0.0140 263 LEU 46 HD12 -0.0136 -0.0270 -0.0173 264 LEU 46 HD13 -0.0100 -0.0232 -0.0221 265 LEU 46 HD21 -0.0059 -0.0125 -0.0168 266 LEU 46 HD22 -0.0056 -0.0163 -0.0238 267 LEU 46 HD23 -0.0096 -0.0205 -0.0188 268 ALA 47 N -0.0023 0.0012 -0.0056 269 ALA 47 CA 0.0000 0.0046 -0.0047 270 ALA 47 C 0.0023 0.0077 -0.0043 271 ALA 47 O 0.0048 0.0105 -0.0044 272 ALA 47 CB -0.0019 0.0056 -0.0012 273 ALA 47 H -0.0047 -0.0000 -0.0038 274 ALA 47 HA 0.0015 0.0043 -0.0071 275 ALA 47 HB1 -0.0002 0.0081 -0.0007 276 ALA 47 HB2 -0.0034 0.0060 0.0012 277 ALA 47 HB3 -0.0035 0.0034 -0.0015 278 CYS 48 N -0.0016 0.0003 -0.0055 279 CYS 48 CA 0.0004 0.0032 -0.0050 280 CYS 48 C 0.0012 0.0040 -0.0077 281 CYS 48 O 0.0030 0.0065 -0.0080 282 CYS 48 CB 0.0006 0.0039 -0.0014 283 CYS 48 SG 0.0002 0.0037 0.0016 284 CYS 48 H -0.0027 -0.0012 -0.0052 285 CYS 48 HA 0.0013 0.0044 -0.0055 286 CYS 48 HB2 -0.0004 0.0027 -0.0002 287 CYS 48 HB3 0.0021 0.0061 -0.0012 288 ALA 49 N -0.0002 0.0035 -0.0104 289 ALA 49 CA 0.0005 0.0032 -0.0128 290 ALA 49 C 0.0002 0.0052 -0.0097 291 ALA 49 O 0.0011 0.0066 -0.0112 292 ALA 49 CB 0.0026 0.0056 -0.0171 293 ALA 49 H -0.0012 0.0007 -0.0102 294 ALA 49 HA -0.0005 -0.0003 -0.0136 295 ALA 49 HB1 0.0035 0.0091 -0.0163 296 ALA 49 HB2 0.0027 0.0041 -0.0192 297 ALA 49 HB3 0.0030 0.0052 -0.0189 298 ARG 50 N 0.0006 0.0018 -0.0072 299 ARG 50 CA -0.0000 0.0033 -0.0045 300 ARG 50 C -0.0016 0.0003 -0.0028 301 ARG 50 O -0.0026 -0.0025 -0.0023 302 ARG 50 CB -0.0002 0.0059 -0.0017 303 ARG 50 CG 0.0013 0.0093 -0.0032 304 ARG 50 CD 0.0010 0.0118 -0.0002 305 ARG 50 NE 0.0025 0.0150 -0.0015 306 ARG 50 CZ 0.0025 0.0175 0.0004 307 ARG 50 NH1 0.0012 0.0173 0.0038 308 ARG 50 NH2 0.0039 0.0203 -0.0010 309 ARG 50 H -0.0000 0.0008 -0.0065 310 ARG 50 HA 0.0009 0.0046 -0.0058 311 ARG 50 HB2 -0.0011 0.0046 -0.0005 312 ARG 50 HB3 -0.0007 0.0068 0.0002 313 ARG 50 HG2 0.0022 0.0107 -0.0043 314 ARG 50 HG3 0.0018 0.0085 -0.0051 315 ARG 50 HD2 0.0001 0.0104 0.0010 316 ARG 50 HD3 0.0005 0.0126 0.0017 317 ARG 50 HE 0.0035 0.0152 -0.0041 318 ARG 50 HH11 0.0001 0.0153 0.0050 319 ARG 50 HH12 0.0012 0.0191 0.0054 320 ARG 50 HH21 0.0050 0.0206 -0.0036 321 ARG 50 HH22 0.0040 0.0222 0.0004 322 TYR 51 N -0.0014 0.0003 -0.0031 323 TYR 51 CA -0.0015 -0.0003 -0.0025 324 TYR 51 C -0.0013 0.0000 -0.0011 325 TYR 51 O -0.0010 0.0011 -0.0007 326 TYR 51 CB -0.0014 0.0003 -0.0032 327 TYR 51 CG -0.0015 0.0001 -0.0047 328 TYR 51 CD1 -0.0013 0.0010 -0.0055 329 TYR 51 CD2 -0.0019 -0.0010 -0.0053 330 TYR 51 CE1 -0.0014 0.0009 -0.0069 331 TYR 51 CE2 -0.0020 -0.0011 -0.0066 332 TYR 51 CZ -0.0018 -0.0002 -0.0074 333 TYR 51 OH -0.0019 -0.0003 -0.0088 334 TYR 51 H -0.0011 0.0012 -0.0032 335 TYR 51 HA -0.0018 -0.0013 -0.0027 336 TYR 51 HB2 -0.0011 0.0013 -0.0030 337 TYR 51 HB3 -0.0015 -0.0002 -0.0028 338 TYR 51 HD1 -0.0010 0.0019 -0.0051 339 TYR 51 HD2 -0.0021 -0.0017 -0.0047 340 TYR 51 HE1 -0.0012 0.0016 -0.0075 341 TYR 51 HE2 -0.0023 -0.0020 -0.0071 342 TYR 51 HH -0.0017 0.0005 -0.0092 343 PHE 52 N -0.0007 -0.0027 0.0010 344 PHE 52 CA -0.0000 -0.0030 0.0001 345 PHE 52 C -0.0003 -0.0023 -0.0020 346 PHE 52 O -0.0014 -0.0012 -0.0025 347 PHE 52 CB -0.0009 -0.0026 0.0012 348 PHE 52 CG -0.0007 -0.0033 0.0034 349 PHE 52 CD1 -0.0017 -0.0029 0.0048 350 PHE 52 CD2 0.0004 -0.0044 0.0040 351 PHE 52 CE1 -0.0015 -0.0035 0.0067 352 PHE 52 CE2 0.0006 -0.0050 0.0060 353 PHE 52 CZ -0.0004 -0.0046 0.0073 354 PHE 52 H -0.0018 -0.0018 0.0012 355 PHE 52 HA 0.0012 -0.0041 0.0002 356 PHE 52 HB2 -0.0021 -0.0016 0.0011 357 PHE 52 HB3 -0.0004 -0.0028 0.0005 358 PHE 52 HD1 -0.0026 -0.0020 0.0043 359 PHE 52 HD2 0.0012 -0.0048 0.0030 360 PHE 52 HE1 -0.0023 -0.0031 0.0078 361 PHE 52 HE2 0.0015 -0.0059 0.0065 362 PHE 52 HZ -0.0003 -0.0050 0.0089 363 ILE 53 N 0.0022 -0.0049 -0.0049 364 ILE 53 CA 0.0038 -0.0023 -0.0080 365 ILE 53 C 0.0038 0.0010 -0.0094 366 ILE 53 O 0.0040 0.0043 -0.0109 367 ILE 53 CB 0.0067 -0.0048 -0.0107 368 ILE 53 CG1 0.0080 -0.0073 -0.0114 369 ILE 53 CG2 0.0067 -0.0075 -0.0096 370 ILE 53 CD1 0.0109 -0.0097 -0.0141 371 ILE 53 H 0.0032 -0.0077 -0.0050 372 ILE 53 HA 0.0029 -0.0009 -0.0074 373 ILE 53 HB 0.0077 -0.0027 -0.0129 374 ILE 53 HG12 0.0069 -0.0093 -0.0092 375 ILE 53 HG13 0.0080 -0.0052 -0.0122 376 ILE 53 HG21 0.0055 -0.0095 -0.0073 377 ILE 53 HG22 0.0059 -0.0057 -0.0093 378 ILE 53 HG23 0.0087 -0.0093 -0.0115 379 ILE 53 HD11 0.0121 -0.0077 -0.0164 380 ILE 53 HD12 0.0117 -0.0114 -0.0145 381 ILE 53 HD13 0.0110 -0.0118 -0.0134 382 ASP 54 N 0.0043 -0.0009 -0.0068 383 ASP 54 CA 0.0045 0.0023 -0.0084 384 ASP 54 C 0.0030 0.0025 -0.0061 385 ASP 54 O 0.0025 -0.0006 -0.0040 386 ASP 54 CB 0.0070 0.0015 -0.0123 387 ASP 54 CG 0.0074 0.0048 -0.0143 388 ASP 54 OD1 0.0076 0.0079 -0.0159 389 ASP 54 OD2 0.0075 0.0043 -0.0143 390 ASP 54 H 0.0040 -0.0033 -0.0054 391 ASP 54 HA 0.0038 0.0052 -0.0086 392 ASP 54 HB2 0.0080 0.0012 -0.0139 393 ASP 54 HB3 0.0076 -0.0014 -0.0121 394 SER 55 N 0.0047 0.0048 -0.0063 395 SER 55 CA 0.0039 0.0067 -0.0041 396 SER 55 C 0.0045 0.0049 -0.0054 397 SER 55 O 0.0040 0.0044 -0.0029 398 SER 55 CB 0.0032 0.0116 -0.0049 399 SER 55 OG 0.0023 0.0136 -0.0030 400 SER 55 H 0.0048 0.0067 -0.0081 401 SER 55 HA 0.0032 0.0060 -0.0008 402 SER 55 HB2 0.0027 0.0127 -0.0035 403 SER 55 HB3 0.0038 0.0124 -0.0082 404 SER 55 HG 0.0028 0.0138 -0.0049 405 THR 56 N 0.0065 0.0044 -0.0054 406 THR 56 CA 0.0076 0.0016 -0.0080 407 THR 56 C 0.0065 -0.0035 -0.0060 408 THR 56 O 0.0063 -0.0053 -0.0057 409 THR 56 CB 0.0097 0.0012 -0.0128 410 THR 56 OG1 0.0106 0.0059 -0.0144 411 THR 56 CG2 0.0109 -0.0011 -0.0157 412 THR 56 H 0.0072 0.0054 -0.0069 413 THR 56 HA 0.0076 0.0035 -0.0079 414 THR 56 HB 0.0096 -0.0011 -0.0128 415 THR 56 HG1 0.0102 0.0066 -0.0134 416 THR 56 HG21 0.0124 -0.0014 -0.0191 417 THR 56 HG22 0.0110 0.0011 -0.0156 418 THR 56 HG23 0.0103 -0.0047 -0.0145 419 ASN 57 N 0.0032 -0.0021 -0.0062 420 ASN 57 CA 0.0026 -0.0066 -0.0041 421 ASN 57 C 0.0001 -0.0067 0.0002 422 ASN 57 O -0.0004 -0.0101 0.0019 423 ASN 57 CB 0.0029 -0.0079 -0.0043 424 ASN 57 CG 0.0055 -0.0101 -0.0082 425 ASN 57 OD1 0.0062 -0.0143 -0.0085 426 ASN 57 ND2 0.0069 -0.0073 -0.0113 427 ASN 57 H 0.0034 -0.0003 -0.0069 428 ASN 57 HA 0.0038 -0.0091 -0.0056 429 ASN 57 HB2 0.0024 -0.0048 -0.0042 430 ASN 57 HB3 0.0017 -0.0102 -0.0017 431 ASN 57 HD21 0.0063 -0.0039 -0.0111 432 ASN 57 HD22 0.0086 -0.0087 -0.0138 433 LEU 58 N 0.0006 -0.0037 0.0040 434 LEU 58 CA -0.0009 -0.0035 0.0061 435 LEU 58 C -0.0013 -0.0036 0.0068 436 LEU 58 O -0.0018 -0.0048 0.0085 437 LEU 58 CB -0.0019 -0.0014 0.0062 438 LEU 58 CG -0.0036 -0.0006 0.0082 439 LEU 58 CD1 -0.0043 0.0006 0.0083 440 LEU 58 CD2 -0.0038 -0.0025 0.0100 441 LEU 58 H 0.0006 -0.0025 0.0029 442 LEU 58 HA -0.0008 -0.0049 0.0070 443 LEU 58 HB2 -0.0016 -0.0017 0.0059 444 LEU 58 HB3 -0.0018 -0.0001 0.0050 445 LEU 58 HG -0.0042 0.0005 0.0082 446 LEU 58 HD11 -0.0054 0.0012 0.0097 447 LEU 58 HD12 -0.0037 -0.0004 0.0083 448 LEU 58 HD13 -0.0041 0.0020 0.0070 449 LEU 58 HD21 -0.0033 -0.0036 0.0101 450 LEU 58 HD22 -0.0050 -0.0019 0.0114 451 LEU 58 HD23 -0.0034 -0.0033 0.0099 452 LYS 59 N 0.0013 0.0003 0.0072 453 LYS 59 CA 0.0035 -0.0006 0.0040 454 LYS 59 C 0.0032 -0.0069 -0.0002 455 LYS 59 O 0.0026 -0.0095 -0.0014 456 LYS 59 CB 0.0087 0.0042 0.0016 457 LYS 59 CG 0.0123 0.0044 -0.0023 458 LYS 59 CD 0.0172 0.0096 -0.0041 459 LYS 59 CE 0.0196 0.0091 -0.0072 460 LYS 59 NZ 0.0208 0.0040 -0.0123 461 LYS 59 H 0.0031 0.0033 0.0073 462 LYS 59 HA 0.0012 -0.0004 0.0067 463 LYS 59 HB2 0.0100 0.0036 -0.0004 464 LYS 59 HB3 0.0086 0.0084 0.0048 465 LYS 59 HG2 0.0109 0.0049 -0.0004 466 LYS 59 HG3 0.0126 0.0004 -0.0057 467 LYS 59 HD2 0.0167 0.0136 -0.0006 468 LYS 59 HD3 0.0195 0.0100 -0.0064 469 LYS 59 HE2 0.0173 0.0086 -0.0049 470 LYS 59 HE3 0.0229 0.0131 -0.0081 471 LYS 59 HZ1 0.0233 0.0045 -0.0147 472 LYS 59 HZ2 0.0224 0.0038 -0.0143 473 LYS 59 HZ3 0.0178 -0.0000 -0.0118 474 THR 60 N 0.0034 -0.0016 -0.0002 475 THR 60 CA -0.0006 -0.0080 -0.0081 476 THR 60 C -0.0047 -0.0136 -0.0029 477 THR 60 O -0.0064 -0.0165 -0.0081 478 THR 60 CB -0.0044 -0.0140 -0.0128 479 THR 60 OG1 -0.0004 -0.0085 -0.0179 480 THR 60 CG2 -0.0086 -0.0207 -0.0211 481 THR 60 H 0.0030 -0.0020 0.0019 482 THR 60 HA 0.0023 -0.0043 -0.0144 483 THR 60 HB -0.0070 -0.0173 -0.0062 484 THR 60 HG1 0.0015 -0.0054 -0.0124 485 THR 60 HG21 -0.0112 -0.0248 -0.0241 486 THR 60 HG22 -0.0059 -0.0173 -0.0276 487 THR 60 HG23 -0.0116 -0.0248 -0.0173 488 HIS 61 N -0.0054 -0.0073 0.0080 489 HIS 61 CA -0.0057 -0.0078 0.0087 490 HIS 61 C -0.0056 -0.0074 0.0090 491 HIS 61 O -0.0059 -0.0079 0.0092 492 HIS 61 CB -0.0059 -0.0079 0.0098 493 HIS 61 CG -0.0062 -0.0082 0.0107 494 HIS 61 ND1 -0.0066 -0.0091 0.0109 495 HIS 61 CD2 -0.0061 -0.0076 0.0116 496 HIS 61 CE1 -0.0067 -0.0090 0.0118 497 HIS 61 NE2 -0.0064 -0.0081 0.0122 498 HIS 61 H -0.0053 -0.0070 0.0082 499 HIS 61 HA -0.0060 -0.0086 0.0084 500 HIS 61 HB2 -0.0062 -0.0085 0.0096 501 HIS 61 HB3 -0.0057 -0.0073 0.0099 502 HIS 61 HD1 -0.0068 -0.0097 0.0104 503 HIS 61 HD2 -0.0057 -0.0068 0.0117 504 HIS 61 HE1 -0.0070 -0.0095 0.0122 505 PHE 62 N -0.0027 -0.0022 0.0126 506 PHE 62 CA -0.0026 -0.0017 0.0130 507 PHE 62 C -0.0025 -0.0018 0.0120 508 PHE 62 O -0.0023 -0.0014 0.0121 509 PHE 62 CB -0.0022 -0.0005 0.0135 510 PHE 62 CG -0.0022 -0.0002 0.0144 511 PHE 62 CD1 -0.0026 -0.0008 0.0155 512 PHE 62 CD2 -0.0019 0.0006 0.0142 513 PHE 62 CE1 -0.0026 -0.0006 0.0163 514 PHE 62 CE2 -0.0019 0.0008 0.0150 515 PHE 62 CZ -0.0023 0.0002 0.0161 516 PHE 62 H -0.0025 -0.0018 0.0123 517 PHE 62 HA -0.0029 -0.0023 0.0137 518 PHE 62 HB2 -0.0019 0.0001 0.0127 519 PHE 62 HB3 -0.0022 -0.0003 0.0139 520 PHE 62 HD1 -0.0029 -0.0015 0.0156 521 PHE 62 HD2 -0.0016 0.0011 0.0134 522 PHE 62 HE1 -0.0029 -0.0011 0.0171 523 PHE 62 HE2 -0.0017 0.0015 0.0148 524 PHE 62 HZ -0.0023 0.0005 0.0167 525 ARG 63 N -0.0030 -0.0054 0.0267 526 ARG 63 CA -0.0036 -0.0050 0.0001 527 ARG 63 C -0.0133 -0.0189 -0.0006 528 ARG 63 O -0.0158 -0.0214 -0.0218 529 ARG 63 CB -0.0088 -0.0115 -0.0216 530 ARG 63 CG 0.0025 0.0050 -0.0252 531 ARG 63 CD -0.0032 -0.0021 -0.0467 532 ARG 63 NE -0.0062 -0.0051 -0.0728 533 ARG 63 CZ -0.0089 -0.0079 -0.0961 534 ARG 63 NH1 -0.0082 -0.0068 -0.0972 535 ARG 63 NH2 -0.0120 -0.0113 -0.1182 536 ARG 63 H -0.0090 -0.0142 0.0301 537 ARG 63 HA 0.0081 0.0120 -0.0035 538 ARG 63 HB2 -0.0198 -0.0274 -0.0163 539 ARG 63 HB3 -0.0103 -0.0126 -0.0405 540 ARG 63 HG2 0.0133 0.0208 -0.0310 541 ARG 63 HG3 0.0042 0.0065 -0.0063 542 ARG 63 HD2 0.0054 0.0104 -0.0490 543 ARG 63 HD3 -0.0138 -0.0176 -0.0404 544 ARG 63 HE -0.0063 -0.0054 -0.0724 545 ARG 63 HH11 -0.0056 -0.0039 -0.0809 546 ARG 63 HH12 -0.0102 -0.0089 -0.1145 547 ARG 63 HH21 -0.0124 -0.0118 -0.1178 548 ARG 63 HH22 -0.0142 -0.0135 -0.1362 549 SER 64 N -0.0199 -0.0058 -0.0098 550 SER 64 CA -0.0233 -0.0085 -0.0111 551 SER 64 C -0.0164 -0.0027 -0.0111 552 SER 64 O -0.0122 -0.0005 -0.0030 553 SER 64 CB -0.0281 -0.0138 -0.0020 554 SER 64 OG -0.0333 -0.0184 0.0001 555 SER 64 H -0.0190 -0.0061 -0.0029 556 SER 64 HA -0.0272 -0.0106 -0.0181 557 SER 64 HB2 -0.0240 -0.0114 0.0048 558 SER 64 HB3 -0.0316 -0.0164 -0.0035 559 SER 64 HG -0.0378 -0.0212 -0.0052 560 LYS 65 N -0.0311 0.0041 -0.0118 561 LYS 65 CA -0.0065 0.0146 -0.0227 562 LYS 65 C -0.0068 0.0131 -0.0149 563 LYS 65 O 0.0159 0.0201 -0.0093 564 LYS 65 CB -0.0017 0.0222 -0.0569 565 LYS 65 CG -0.0280 0.0169 -0.0796 566 LYS 65 CD -0.0394 0.0133 -0.0820 567 LYS 65 CE -0.0652 0.0082 -0.1045 568 LYS 65 NZ -0.0777 0.0041 -0.1060 569 LYS 65 H -0.0444 0.0019 -0.0262 570 LYS 65 HA 0.0120 0.0188 -0.0097 571 LYS 65 HB2 0.0148 0.0291 -0.0639 572 LYS 65 HB3 0.0065 0.0254 -0.0590 573 LYS 65 HG2 -0.0219 0.0228 -0.1017 574 LYS 65 HG3 -0.0451 0.0097 -0.0728 575 LYS 65 HD2 -0.0456 0.0074 -0.0601 576 LYS 65 HD3 -0.0222 0.0206 -0.0894 577 LYS 65 HE2 -0.0583 0.0144 -0.1266 578 LYS 65 HE3 -0.0815 0.0014 -0.0980 579 LYS 65 HZ1 -0.0627 0.0104 -0.1121 580 LYS 65 HZ2 -0.0854 -0.0022 -0.0854 581 LYS 65 HZ3 -0.0950 0.0008 -0.1219 582 ASP 66 N -0.0171 0.0026 -0.0171 583 ASP 66 CA -0.0121 0.0001 -0.0058 584 ASP 66 C -0.0064 -0.0033 0.0078 585 ASP 66 O 0.0009 -0.0005 0.0180 586 ASP 66 CB -0.0190 -0.0114 -0.0068 587 ASP 66 CG -0.0142 -0.0128 0.0031 588 ASP 66 OD1 -0.0126 -0.0061 -0.0006 589 ASP 66 OD2 -0.0122 -0.0207 0.0143 590 ASP 66 H -0.0239 -0.0042 -0.0227 591 ASP 66 HA -0.0075 0.0093 -0.0065 592 ASP 66 HB2 -0.0237 -0.0095 -0.0170 593 ASP 66 HB3 -0.0229 -0.0208 -0.0047 594 HIS 67 N -0.0051 0.0028 0.0098 595 HIS 67 CA -0.0044 0.0019 0.0111 596 HIS 67 C -0.0030 0.0024 0.0113 597 HIS 67 O -0.0019 0.0023 0.0120 598 HIS 67 CB -0.0054 0.0009 0.0115 599 HIS 67 CG -0.0049 -0.0002 0.0127 600 HIS 67 ND1 -0.0041 -0.0006 0.0135 601 HIS 67 CD2 -0.0054 -0.0010 0.0133 602 HIS 67 CE1 -0.0042 -0.0017 0.0145 603 HIS 67 NE2 -0.0050 -0.0020 0.0144 604 HIS 67 H -0.0060 0.0027 0.0094 605 HIS 67 HA -0.0042 0.0015 0.0115 606 HIS 67 HB2 -0.0064 0.0004 0.0114 607 HIS 67 HB3 -0.0055 0.0012 0.0111 608 HIS 67 HD1 -0.0036 -0.0001 0.0134 609 HIS 67 HD2 -0.0058 -0.0008 0.0128 610 HIS 67 HE1 -0.0038 -0.0023 0.0153 611 LYS 68 N 0.0021 0.0047 0.0113 612 LYS 68 CA 0.0062 0.0071 0.0121 613 LYS 68 C 0.0070 0.0074 0.0106 614 LYS 68 O 0.0094 0.0091 0.0124 615 LYS 68 CB 0.0089 0.0084 0.0097 616 LYS 68 CG 0.0077 0.0079 0.0111 617 LYS 68 CD 0.0105 0.0091 0.0084 618 LYS 68 CE 0.0101 0.0081 0.0033 619 LYS 68 NZ 0.0126 0.0092 0.0007 620 LYS 68 H 0.0016 0.0040 0.0089 621 LYS 68 HA 0.0064 0.0078 0.0157 622 LYS 68 HB2 0.0087 0.0077 0.0061 623 LYS 68 HB3 0.0119 0.0103 0.0106 624 LYS 68 HG2 0.0075 0.0083 0.0147 625 LYS 68 HG3 0.0047 0.0060 0.0102 626 LYS 68 HD2 0.0135 0.0110 0.0091 627 LYS 68 HD3 0.0097 0.0089 0.0095 628 LYS 68 HE2 0.0070 0.0062 0.0026 629 LYS 68 HE3 0.0110 0.0085 0.0022 630 LYS 68 HZ1 0.0156 0.0110 0.0013 631 LYS 68 HZ2 0.0122 0.0085 -0.0027 632 LYS 68 HZ3 0.0117 0.0088 0.0018 633 LYS 69 N -0.0008 0.0134 0.0159 634 LYS 69 CA 0.0026 0.0176 0.0192 635 LYS 69 C 0.0086 0.0153 0.0196 636 LYS 69 O 0.0108 0.0172 0.0212 637 LYS 69 CB 0.0031 0.0204 0.0209 638 LYS 69 CG 0.0078 0.0239 0.0241 639 LYS 69 CD 0.0078 0.0256 0.0251 640 LYS 69 CE 0.0124 0.0289 0.0282 641 LYS 69 NZ 0.0122 0.0301 0.0288 642 LYS 69 H -0.0024 0.0132 0.0154 643 LYS 69 HA 0.0005 0.0203 0.0201 644 LYS 69 HB2 -0.0009 0.0227 0.0211 645 LYS 69 HB3 0.0038 0.0174 0.0194 646 LYS 69 HG2 0.0117 0.0214 0.0238 647 LYS 69 HG3 0.0069 0.0272 0.0257 648 LYS 69 HD2 0.0037 0.0279 0.0252 649 LYS 69 HD3 0.0083 0.0222 0.0233 650 LYS 69 HE2 0.0166 0.0268 0.0282 651 LYS 69 HE3 0.0118 0.0325 0.0300 652 LYS 69 HZ1 0.0154 0.0323 0.0309 653 LYS 69 HZ2 0.0127 0.0266 0.0270 654 LYS 69 HZ3 0.0081 0.0321 0.0288 655 ARG 70 N 0.0033 0.0121 0.0192 656 ARG 70 CA 0.0067 0.0121 0.0143 657 ARG 70 C 0.0039 0.0080 0.0097 658 ARG 70 O 0.0049 0.0071 0.0064 659 ARG 70 CB 0.0113 0.0143 0.0121 660 ARG 70 CG 0.0154 0.0148 0.0073 661 ARG 70 CD 0.0173 0.0170 0.0090 662 ARG 70 NE 0.0210 0.0174 0.0044 663 ARG 70 CZ 0.0217 0.0175 0.0038 664 ARG 70 NH1 0.0189 0.0174 0.0075 665 ARG 70 NH2 0.0252 0.0179 -0.0006 666 ARG 70 H 0.0039 0.0130 0.0202 667 ARG 70 HA 0.0080 0.0136 0.0155 668 ARG 70 HB2 0.0130 0.0171 0.0156 669 ARG 70 HB3 0.0100 0.0127 0.0107 670 ARG 70 HG2 0.0185 0.0165 0.0061 671 ARG 70 HG3 0.0137 0.0120 0.0038 672 ARG 70 HD2 0.0141 0.0154 0.0103 673 ARG 70 HD3 0.0191 0.0198 0.0124 674 ARG 70 HE 0.0231 0.0175 0.0017 675 ARG 70 HH11 0.0163 0.0171 0.0108 676 ARG 70 HH12 0.0194 0.0175 0.0070 677 ARG 70 HH21 0.0274 0.0180 -0.0034 678 ARG 70 HH22 0.0259 0.0180 -0.0013 679 LEU 71 N 0.0003 0.0087 0.0089 680 LEU 71 CA -0.0012 0.0073 0.0072 681 LEU 71 C -0.0030 0.0045 0.0069 682 LEU 71 O -0.0044 0.0035 0.0044 683 LEU 71 CB -0.0009 0.0070 0.0088 684 LEU 71 CG 0.0010 0.0097 0.0093 685 LEU 71 CD1 0.0010 0.0091 0.0107 686 LEU 71 CD2 0.0014 0.0116 0.0062 687 LEU 71 H 0.0011 0.0091 0.0110 688 LEU 71 HA -0.0010 0.0085 0.0049 689 LEU 71 HB2 -0.0011 0.0058 0.0110 690 LEU 71 HB3 -0.0020 0.0059 0.0074 691 LEU 71 HG 0.0020 0.0106 0.0109 692 LEU 71 HD11 -0.0001 0.0080 0.0091 693 LEU 71 HD12 0.0007 0.0077 0.0129 694 LEU 71 HD13 0.0023 0.0109 0.0111 695 LEU 71 HD21 0.0015 0.0122 0.0053 696 LEU 71 HD22 0.0003 0.0107 0.0045 697 LEU 71 HD23 0.0027 0.0134 0.0067 698 LYS 72 N -0.0044 0.0054 0.0096 699 LYS 72 CA -0.0096 -0.0051 0.0089 700 LYS 72 C -0.0191 -0.0072 0.0032 701 LYS 72 O -0.0264 -0.0112 -0.0006 702 LYS 72 CB -0.0037 -0.0143 0.0154 703 LYS 72 CG -0.0084 -0.0258 0.0154 704 LYS 72 CD -0.0018 -0.0342 0.0220 705 LYS 72 CE -0.0063 -0.0456 0.0221 706 LYS 72 NZ 0.0001 -0.0538 0.0286 707 LYS 72 H 0.0017 0.0056 0.0136 708 LYS 72 HA -0.0109 -0.0050 0.0080 709 LYS 72 HB2 0.0030 -0.0126 0.0194 710 LYS 72 HB3 -0.0023 -0.0143 0.0163 711 LYS 72 HG2 -0.0147 -0.0279 0.0117 712 LYS 72 HG3 -0.0101 -0.0258 0.0142 713 LYS 72 HD2 0.0046 -0.0320 0.0257 714 LYS 72 HD3 -0.0001 -0.0342 0.0231 715 LYS 72 HE2 -0.0126 -0.0478 0.0185 716 LYS 72 HE3 -0.0083 -0.0454 0.0207 717 LYS 72 HZ1 0.0021 -0.0542 0.0300 718 LYS 72 HZ2 0.0062 -0.0519 0.0321 719 LYS 72 HZ3 -0.0032 -0.0616 0.0285 720 GLN 73 N -0.0107 0.0005 0.0074 721 GLN 73 CA -0.0089 0.0021 0.0037 722 GLN 73 C -0.0091 0.0020 -0.0069 723 GLN 73 O -0.0116 -0.0001 -0.0112 724 GLN 73 CB -0.0016 0.0083 0.0070 725 GLN 73 CG -0.0009 0.0088 0.0174 726 GLN 73 CD 0.0064 0.0151 0.0205 727 GLN 73 OE1 0.0116 0.0195 0.0160 728 GLN 73 NE2 0.0070 0.0155 0.0280 729 GLN 73 H -0.0071 0.0036 0.0106 730 GLN 73 HA -0.0127 -0.0011 0.0061 731 GLN 73 HB2 0.0022 0.0115 0.0047 732 GLN 73 HB3 -0.0003 0.0094 0.0040 733 GLN 73 HG2 -0.0044 0.0058 0.0197 734 GLN 73 HG3 -0.0024 0.0076 0.0205 735 GLN 73 HE21 0.0027 0.0118 0.0311 736 GLN 73 HE22 0.0116 0.0194 0.0303 737 LEU 74 N -0.0109 0.0052 -0.0030 738 LEU 74 CA -0.0117 0.0075 -0.0124 739 LEU 74 C -0.0186 0.0028 -0.0165 740 LEU 74 O -0.0207 0.0034 -0.0244 741 LEU 74 CB -0.0055 0.0135 -0.0146 742 LEU 74 CG -0.0050 0.0169 -0.0242 743 LEU 74 CD1 -0.0049 0.0183 -0.0283 744 LEU 74 CD2 0.0014 0.0228 -0.0252 745 LEU 74 H -0.0078 0.0066 0.0008 746 LEU 74 HA -0.0117 0.0082 -0.0151 747 LEU 74 HB2 -0.0008 0.0164 -0.0110 748 LEU 74 HB3 -0.0060 0.0123 -0.0121 749 LEU 74 HG -0.0095 0.0141 -0.0277 750 LEU 74 HD11 -0.0045 0.0208 -0.0350 751 LEU 74 HD12 -0.0005 0.0210 -0.0248 752 LEU 74 HD13 -0.0096 0.0142 -0.0280 753 LEU 74 HD21 0.0059 0.0256 -0.0217 754 LEU 74 HD22 0.0016 0.0251 -0.0320 755 LEU 74 HD23 0.0011 0.0217 -0.0225 756 SER 75 N -0.0235 0.0008 -0.0101 757 SER 75 CA -0.0303 -0.0030 -0.0127 758 SER 75 C -0.0264 0.0057 -0.0166 759 SER 75 O -0.0324 0.0057 -0.0217 760 SER 75 CB -0.0425 -0.0068 -0.0200 761 SER 75 OG -0.0493 -0.0111 -0.0221 762 SER 75 H -0.0181 -0.0021 -0.0031 763 SER 75 HA -0.0290 -0.0099 -0.0059 764 SER 75 HB2 -0.0448 -0.0130 -0.0167 765 SER 75 HB3 -0.0438 0.0001 -0.0267 766 SER 75 HG -0.0553 -0.0178 -0.0217 767 VAL 76 N -0.0131 0.0059 -0.0058 768 VAL 76 CA -0.0117 0.0084 -0.0067 769 VAL 76 C -0.0121 0.0063 -0.0050 770 VAL 76 O -0.0137 0.0064 -0.0070 771 VAL 76 CB -0.0077 0.0114 -0.0052 772 VAL 76 CG1 -0.0062 0.0141 -0.0061 773 VAL 76 CG2 -0.0073 0.0136 -0.0069 774 VAL 76 H -0.0116 0.0060 -0.0042 775 VAL 76 HA -0.0131 0.0098 -0.0097 776 VAL 76 HB -0.0064 0.0100 -0.0022 777 VAL 76 HG11 -0.0035 0.0161 -0.0051 778 VAL 76 HG12 -0.0076 0.0154 -0.0091 779 VAL 76 HG13 -0.0064 0.0125 -0.0048 780 VAL 76 HG21 -0.0045 0.0157 -0.0058 781 VAL 76 HG22 -0.0083 0.0117 -0.0061 782 VAL 76 HG23 -0.0087 0.0150 -0.0099 783 GLU 77 N -0.0086 0.0070 0.0021 784 GLU 77 CA -0.0065 0.0050 0.0040 785 GLU 77 C -0.0059 -0.0003 0.0057 786 GLU 77 O -0.0031 -0.0013 0.0078 787 GLU 77 CB -0.0023 0.0081 0.0059 788 GLU 77 CG 0.0007 0.0094 0.0076 789 GLU 77 CD 0.0048 0.0122 0.0095 790 GLU 77 OE1 0.0049 0.0165 0.0085 791 GLU 77 OE2 0.0080 0.0101 0.0121 792 GLU 77 H -0.0079 0.0061 0.0028 793 GLU 77 HA -0.0086 0.0049 0.0027 794 GLU 77 HB2 -0.0007 0.0060 0.0075 795 GLU 77 HB3 -0.0030 0.0114 0.0047 796 GLU 77 HG2 -0.0008 0.0116 0.0060 797 GLU 77 HG3 0.0013 0.0060 0.0088 798 PRO 78 N -0.0122 -0.0034 0.0038 799 PRO 78 CA -0.0114 -0.0137 0.0073 800 PRO 78 C -0.0029 -0.0144 0.0100 801 PRO 78 O -0.0025 -0.0095 0.0085 802 PRO 78 CB -0.0214 -0.0169 0.0054 803 PRO 78 CG -0.0281 -0.0092 0.0010 804 PRO 78 CD -0.0215 0.0001 -0.0001 805 PRO 78 HA -0.0103 -0.0181 0.0090 806 PRO 78 HB2 -0.0203 -0.0172 0.0057 807 PRO 78 HB3 -0.0241 -0.0241 0.0068 808 PRO 78 HG2 -0.0335 -0.0084 -0.0008 809 PRO 78 HG3 -0.0318 -0.0112 0.0005 810 PRO 78 HD2 -0.0205 0.0039 -0.0009 811 PRO 78 HD3 -0.0246 0.0048 -0.0024 812 TYR 79 N 0.0073 -0.0158 0.0075 813 TYR 79 CA 0.0187 -0.0164 0.0089 814 TYR 79 C 0.0251 -0.0067 0.0092 815 TYR 79 O 0.0256 0.0023 0.0088 816 TYR 79 CB 0.0199 -0.0176 0.0091 817 TYR 79 CG 0.0150 -0.0281 0.0090 818 TYR 79 CD1 0.0042 -0.0286 0.0077 819 TYR 79 CD2 0.0212 -0.0376 0.0102 820 TYR 79 CE1 -0.0003 -0.0382 0.0076 821 TYR 79 CE2 0.0168 -0.0472 0.0101 822 TYR 79 CZ 0.0060 -0.0475 0.0088 823 TYR 79 OH 0.0015 -0.0572 0.0087 824 TYR 79 H 0.0048 -0.0213 0.0074 825 TYR 79 HA 0.0219 -0.0235 0.0096 826 TYR 79 HB2 0.0160 -0.0108 0.0083 827 TYR 79 HB3 0.0285 -0.0176 0.0101 828 TYR 79 HD1 -0.0007 -0.0213 0.0068 829 TYR 79 HD2 0.0296 -0.0373 0.0112 830 TYR 79 HE1 -0.0087 -0.0383 0.0066 831 TYR 79 HE2 0.0217 -0.0545 0.0110 832 TYR 79 HH 0.0037 -0.0627 0.0092 833 SER 80 N 0.0255 -0.0064 0.0093 834 SER 80 CA 0.0250 -0.0021 0.0130 835 SER 80 C 0.0300 -0.0029 0.0149 836 SER 80 O 0.0344 -0.0065 0.0138 837 SER 80 CB 0.0192 -0.0007 0.0114 838 SER 80 OG 0.0180 0.0038 0.0149 839 SER 80 H 0.0245 -0.0088 0.0065 840 SER 80 HA 0.0250 0.0006 0.0155 841 SER 80 HB2 0.0158 -0.0004 0.0098 842 SER 80 HB3 0.0193 -0.0033 0.0089 843 SER 80 HG 0.0166 0.0060 0.0163 844 GLN 81 N 0.0223 0.0025 0.0112 845 GLN 81 CA 0.0211 0.0026 0.0101 846 GLN 81 C 0.0206 0.0035 0.0094 847 GLN 81 O 0.0211 0.0036 0.0098 848 GLN 81 CB 0.0203 0.0009 0.0098 849 GLN 81 CG 0.0190 0.0009 0.0087 850 GLN 81 CD 0.0183 -0.0007 0.0084 851 GLN 81 OE1 0.0184 -0.0017 0.0088 852 GLN 81 NE2 0.0174 -0.0010 0.0077 853 GLN 81 H 0.0226 0.0016 0.0117 854 GLN 81 HA 0.0210 0.0031 0.0098 855 GLN 81 HB2 0.0207 0.0002 0.0104 856 GLN 81 HB3 0.0203 0.0004 0.0100 857 GLN 81 HG2 0.0187 0.0017 0.0081 858 GLN 81 HG3 0.0190 0.0012 0.0086 859 GLN 81 HE21 0.0173 -0.0002 0.0074 860 GLN 81 HE22 0.0168 -0.0020 0.0075 861 GLU 82 N 0.0205 -0.0041 0.0180 862 GLU 82 CA 0.0174 0.0019 0.0121 863 GLU 82 C 0.0254 0.0043 0.0063 864 GLU 82 O 0.0245 0.0091 0.0009 865 GLU 82 CB 0.0104 0.0066 0.0093 866 GLU 82 CG 0.0065 0.0128 0.0034 867 GLU 82 CD -0.0005 0.0168 0.0014 868 GLU 82 OE1 0.0017 0.0192 -0.0024 869 GLU 82 OE2 -0.0085 0.0176 0.0035 870 GLU 82 H 0.0207 -0.0077 0.0222 871 GLU 82 HA 0.0145 0.0010 0.0143 872 GLU 82 HB2 0.0050 0.0046 0.0137 873 GLU 82 HB3 0.0134 0.0071 0.0075 874 GLU 82 HG2 0.0118 0.0150 -0.0012 875 GLU 82 HG3 0.0037 0.0123 0.0051 876 GLU 83 N 0.0344 -0.0066 0.0135 877 GLU 83 CA 0.0350 -0.0095 0.0112 878 GLU 83 C 0.0386 -0.0081 0.0132 879 GLU 83 O 0.0428 -0.0103 0.0124 880 GLU 83 CB 0.0297 -0.0101 0.0094 881 GLU 83 CG 0.0299 -0.0131 0.0069 882 GLU 83 CD 0.0245 -0.0139 0.0050 883 GLU 83 OE1 0.0217 -0.0113 0.0065 884 GLU 83 OE2 0.0231 -0.0172 0.0019 885 GLU 83 H 0.0333 -0.0036 0.0157 886 GLU 83 HA 0.0369 -0.0124 0.0092 887 GLU 83 HB2 0.0274 -0.0112 0.0080 888 GLU 83 HB3 0.0277 -0.0072 0.0114 889 GLU 83 HG2 0.0317 -0.0119 0.0084 890 GLU 83 HG3 0.0322 -0.0160 0.0051 891 ALA 84 N 0.0440 -0.0112 0.0134 892 ALA 84 CA 0.0494 -0.0161 0.0174 893 ALA 84 C 0.0455 -0.0188 0.0242 894 ALA 84 O 0.0485 -0.0232 0.0291 895 ALA 84 CB 0.0544 -0.0185 0.0180 896 ALA 84 H 0.0417 -0.0108 0.0141 897 ALA 84 HA 0.0525 -0.0157 0.0148 898 ALA 84 HB1 0.0582 -0.0221 0.0210 899 ALA 84 HB2 0.0512 -0.0187 0.0203 900 ALA 84 HB3 0.0574 -0.0166 0.0130 901 GLU 85 N 0.0250 -0.0205 0.0195 902 GLU 85 CA 0.0156 -0.0255 0.0224 903 GLU 85 C 0.0091 -0.0156 0.0244 904 GLU 85 O 0.0111 -0.0116 0.0237 905 GLU 85 CB 0.0187 -0.0340 0.0215 906 GLU 85 CG 0.0096 -0.0416 0.0243 907 GLU 85 CD 0.0009 -0.0360 0.0270 908 GLU 85 OE1 0.0023 -0.0353 0.0266 909 GLU 85 OE2 -0.0073 -0.0321 0.0295 910 GLU 85 H 0.0257 -0.0125 0.0192 911 GLU 85 HA 0.0113 -0.0297 0.0238 912 GLU 85 HB2 0.0252 -0.0393 0.0195 913 GLU 85 HB3 0.0215 -0.0293 0.0206 914 GLU 85 HG2 0.0060 -0.0434 0.0255 915 GLU 85 HG3 0.0129 -0.0491 0.0234 916 ARG 86 N 0.0016 -0.0080 0.0254 917 ARG 86 CA 0.0050 -0.0112 0.0270 918 ARG 86 C -0.0003 -0.0109 0.0120 919 ARG 86 O -0.0099 -0.0034 0.0030 920 ARG 86 CB 0.0032 -0.0029 0.0431 921 ARG 86 CG -0.0086 0.0117 0.0468 922 ARG 86 CD -0.0191 0.0189 0.0342 923 ARG 86 NE -0.0300 0.0325 0.0376 924 ARG 86 CZ -0.0407 0.0406 0.0273 925 ARG 86 NH1 -0.0423 0.0370 0.0129 926 ARG 86 NH2 -0.0497 0.0525 0.0316 927 ARG 86 H -0.0067 0.0003 0.0224 928 ARG 86 HA 0.0143 -0.0211 0.0284 929 ARG 86 HB2 0.0038 -0.0039 0.0425 930 ARG 86 HB3 0.0101 -0.0069 0.0533 931 ARG 86 HG2 -0.0085 0.0161 0.0586 932 ARG 86 HG3 -0.0094 0.0129 0.0473 933 ARG 86 HD2 -0.0190 0.0141 0.0221 934 ARG 86 HD3 -0.0188 0.0187 0.0348 935 ARG 86 HE -0.0290 0.0354 0.0484 936 ARG 86 HH11 -0.0359 0.0282 0.0090 937 ARG 86 HH12 -0.0503 0.0430 0.0051 938 ARG 86 HH21 -0.0487 0.0556 0.0424 939 ARG 86 HH22 -0.0578 0.0589 0.0243 940 ALA 87 N -0.0202 0.0000 0.0407 941 ALA 87 CA -0.0314 0.0006 0.0478 942 ALA 87 C -0.0309 0.0086 0.0299 943 ALA 87 O -0.0460 0.0148 0.0275 944 ALA 87 CB -0.0540 0.0045 0.0560 945 ALA 87 H -0.0276 0.0061 0.0328 946 ALA 87 HA -0.0237 -0.0074 0.0596 947 ALA 87 HB1 -0.0615 0.0124 0.0442 948 ALA 87 HB2 -0.0542 -0.0013 0.0687 949 ALA 87 HB3 -0.0626 0.0051 0.0609 950 ALA 88 N -0.0152 0.0012 0.0217 951 ALA 88 CA -0.0136 0.0016 0.0151 952 ALA 88 C -0.0074 0.0081 0.0137 953 ALA 88 O -0.0049 0.0115 0.0167 954 ALA 88 CB -0.0162 -0.0011 0.0166 955 ALA 88 H -0.0135 0.0040 0.0266 956 ALA 88 HA -0.0149 -0.0009 0.0099 957 ALA 88 HB1 -0.0149 0.0015 0.0217 958 ALA 88 HB2 -0.0206 -0.0057 0.0176 959 ALA 88 HB3 -0.0150 -0.0008 0.0114 960 GLY 89 N 0.0282 0.0128 0.0014 961 GLY 89 CA 0.0454 0.0172 -0.0010 962 GLY 89 C 0.0473 0.0175 -0.0052 963 GLY 89 O 0.0403 0.0149 -0.0179 964 GLY 89 H 0.0198 0.0107 0.0036 965 GLY 89 HA2 0.0504 0.0179 -0.0114 966 GLY 89 HA3 0.0520 0.0196 0.0106 967 MET 90 N 0.1233 0.0393 -0.0368 968 MET 90 CA 0.0856 0.0316 -0.0247 969 MET 90 C 0.0794 0.0613 -0.0412 970 MET 90 O 0.0581 0.0933 -0.0560 971 MET 90 CB 0.0428 0.0297 -0.0152 972 MET 90 CG 0.0031 0.0139 0.0021 973 MET 90 SD -0.0189 0.0420 -0.0103 974 MET 90 CE -0.0654 0.0166 0.0140 975 MET 90 H 0.1483 0.0193 -0.0298 976 MET 90 HA 0.0944 0.0038 -0.0099 977 MET 90 HB2 0.0507 0.0115 -0.0059 978 MET 90 HB3 0.0324 0.0585 -0.0303 979 MET 90 HG2 0.0134 -0.0150 0.0172 980 MET 90 HG3 -0.0230 0.0121 0.0083 981 MET 90 HE1 -0.0542 -0.0129 0.0293 982 MET 90 HE2 -0.0823 0.0305 0.0090 983 MET 90 HE3 -0.0877 0.0169 0.0182 984 GLY 91 N -0.0178 0.0179 0.0013 985 GLY 91 CA -0.0357 0.0074 0.0320 986 GLY 91 C -0.0485 0.0119 0.0162 987 GLY 91 O -0.0851 0.0115 0.0127 988 GLY 91 H -0.0343 0.0248 -0.0224 989 GLY 91 HA2 -0.0134 0.0009 0.0555 990 GLY 91 HA3 -0.0626 0.0028 0.0430 991 SER 92 N -0.0116 0.0152 -0.0084 992 SER 92 CA -0.0102 0.0158 -0.0081 993 SER 92 C -0.0066 0.0139 -0.0040 994 SER 92 O -0.0027 0.0150 -0.0027 995 SER 92 CB -0.0083 0.0203 -0.0113 996 SER 92 OG -0.0118 0.0220 -0.0151 997 SER 92 H -0.0091 0.0165 -0.0081 998 SER 92 HA -0.0134 0.0144 -0.0087 999 SER 92 HB2 -0.0051 0.0218 -0.0107 1000 SER 92 HB3 -0.0074 0.0208 -0.0112 1001 SER 92 HG -0.0142 0.0200 -0.0146 1002 TYR 93 N 0.0258 -0.0183 0.0043 1003 TYR 93 CA 0.0196 -0.0142 0.0064 1004 TYR 93 C 0.0182 -0.0227 0.0165 1005 TYR 93 O 0.0241 -0.0316 0.0198 1006 TYR 93 CB 0.0253 -0.0110 -0.0026 1007 TYR 93 CG 0.0190 -0.0053 -0.0024 1008 TYR 93 CD1 0.0128 0.0052 -0.0070 1009 TYR 93 CD2 0.0193 -0.0102 0.0024 1010 TYR 93 CE1 0.0070 0.0105 -0.0069 1011 TYR 93 CE2 0.0136 -0.0049 0.0026 1012 TYR 93 CZ 0.0075 0.0054 -0.0020 1013 TYR 93 OH 0.0016 0.0108 -0.0018 1014 TYR 93 H 0.0330 -0.0237 0.0029 1015 TYR 93 HA 0.0122 -0.0078 0.0070 1016 TYR 93 HB2 0.0276 -0.0063 -0.0099 1017 TYR 93 HB3 0.0322 -0.0178 -0.0025 1018 TYR 93 HD1 0.0125 0.0091 -0.0108 1019 TYR 93 HD2 0.0242 -0.0184 0.0061 1020 TYR 93 HE1 0.0022 0.0187 -0.0105 1021 TYR 93 HE2 0.0139 -0.0089 0.0064 1022 TYR 93 HH -0.0020 0.0074 0.0053 1023 VAL 94 N 0.0243 -0.0236 -0.0018 1024 VAL 94 CA 0.0023 -0.0281 -0.0170 1025 VAL 94 C -0.0246 -0.0235 -0.0141 1026 VAL 94 O -0.0363 -0.0127 0.0059 1027 VAL 94 CB -0.0007 -0.0259 -0.0131 1028 VAL 94 CG1 -0.0050 -0.0128 0.0135 1029 VAL 94 CG2 -0.0231 -0.0313 -0.0301 1030 VAL 94 H 0.0336 -0.0188 0.0109 1031 VAL 94 HA 0.0076 -0.0376 -0.0357 1032 VAL 94 HB 0.0181 -0.0305 -0.0178 1033 VAL 94 HG11 -0.0069 -0.0119 0.0152 1034 VAL 94 HG12 -0.0232 -0.0080 0.0192 1035 VAL 94 HG13 0.0119 -0.0095 0.0250 1036 VAL 94 HG21 -0.0420 -0.0272 -0.0264 1037 VAL 94 HG22 -0.0248 -0.0296 -0.0271 1038 VAL 94 HG23 -0.0186 -0.0407 -0.0490