1 ASP 28 N -0.0152 0.0002 -0.0028 2 ASP 28 CA -0.0071 0.0026 -0.0018 3 ASP 28 C -0.0042 0.0017 -0.0007 4 ASP 28 O -0.0059 -0.0040 0.0014 5 ASP 28 CB -0.0027 -0.0018 0.0012 6 ASP 28 CG 0.0058 0.0004 0.0023 7 ASP 28 OD1 0.0082 0.0065 0.0002 8 ASP 28 OD2 0.0102 -0.0041 0.0054 9 ASP 28 H -0.0174 0.0007 -0.0035 10 ASP 28 HA -0.0063 0.0082 -0.0042 11 ASP 28 HB2 -0.0048 -0.0010 0.0004 12 ASP 28 HB3 -0.0036 -0.0074 0.0035 13 PRO 29 N -0.0045 -0.0003 -0.0056 14 PRO 29 CA -0.0012 0.0003 -0.0056 15 PRO 29 C -0.0019 0.0007 -0.0103 16 PRO 29 O -0.0060 0.0001 -0.0119 17 PRO 29 CB -0.0028 -0.0004 -0.0011 18 PRO 29 CG -0.0057 -0.0013 0.0020 19 PRO 29 CD -0.0080 -0.0014 -0.0015 20 PRO 29 HA 0.0025 0.0010 -0.0052 21 PRO 29 HB2 -0.0049 -0.0007 -0.0025 22 PRO 29 HB3 0.0004 -0.0001 0.0008 23 PRO 29 HG2 -0.0085 -0.0020 0.0039 24 PRO 29 HG3 -0.0033 -0.0012 0.0047 25 PRO 29 HD2 -0.0116 -0.0019 -0.0027 26 PRO 29 HD3 -0.0082 -0.0016 0.0004 27 ASN 30 N 0.0017 -0.0065 0.0015 28 ASN 30 CA -0.0007 -0.0037 0.0001 29 ASN 30 C 0.0007 -0.0028 0.0018 30 ASN 30 O 0.0002 -0.0049 0.0006 31 ASN 30 CB -0.0038 -0.0054 -0.0035 32 ASN 30 CG -0.0064 -0.0026 -0.0052 33 ASN 30 OD1 -0.0084 0.0004 -0.0062 34 ASN 30 ND2 -0.0065 -0.0038 -0.0057 35 ASN 30 H 0.0020 -0.0056 0.0022 36 ASN 30 HA -0.0012 -0.0006 0.0006 37 ASN 30 HB2 -0.0047 -0.0055 -0.0045 38 ASN 30 HB3 -0.0030 -0.0086 -0.0037 39 ASN 30 HD21 -0.0049 -0.0063 -0.0049 40 ASN 30 HD22 -0.0081 -0.0020 -0.0068 41 ALA 31 N 0.0005 0.0015 0.0038 42 ALA 31 CA 0.0010 0.0024 0.0042 43 ALA 31 C 0.0018 0.0038 0.0049 44 ALA 31 O 0.0031 0.0036 0.0055 45 ALA 31 CB 0.0020 0.0013 0.0046 46 ALA 31 H 0.0008 0.0017 0.0040 47 ALA 31 HA 0.0001 0.0029 0.0038 48 ALA 31 HB1 0.0024 0.0020 0.0049 49 ALA 31 HB2 0.0029 0.0009 0.0050 50 ALA 31 HB3 0.0014 0.0004 0.0041 51 GLU 32 N 0.0035 0.0091 0.0017 52 GLU 32 CA 0.0022 0.0042 -0.0013 53 GLU 32 C 0.0021 0.0067 -0.0025 54 GLU 32 O 0.0009 0.0042 -0.0061 55 GLU 32 CB 0.0028 -0.0019 0.0027 56 GLU 32 CG 0.0046 -0.0012 0.0091 57 GLU 32 CD 0.0050 -0.0075 0.0126 58 GLU 32 OE1 0.0045 -0.0111 0.0120 59 GLU 32 OE2 0.0058 -0.0090 0.0161 60 GLU 32 H 0.0047 0.0086 0.0063 61 GLU 32 HA 0.0010 0.0034 -0.0056 62 GLU 32 HB2 0.0018 -0.0054 0.0002 63 GLU 32 HB3 0.0028 -0.0034 0.0033 64 GLU 32 HG2 0.0056 0.0022 0.0117 65 GLU 32 HG3 0.0046 0.0005 0.0084 66 PHE 33 N 0.0051 0.0085 0.0023 67 PHE 33 CA 0.0045 0.0095 0.0015 68 PHE 33 C 0.0038 0.0102 0.0014 69 PHE 33 O 0.0038 0.0098 0.0022 70 PHE 33 CB 0.0037 0.0099 0.0021 71 PHE 33 CG 0.0032 0.0099 0.0035 72 PHE 33 CD1 0.0023 0.0106 0.0038 73 PHE 33 CD2 0.0035 0.0091 0.0045 74 PHE 33 CE1 0.0017 0.0105 0.0051 75 PHE 33 CE2 0.0030 0.0091 0.0058 76 PHE 33 CZ 0.0021 0.0098 0.0061 77 PHE 33 H 0.0048 0.0084 0.0033 78 PHE 33 HA 0.0049 0.0095 0.0006 79 PHE 33 HB2 0.0032 0.0107 0.0015 80 PHE 33 HB3 0.0042 0.0095 0.0020 81 PHE 33 HD1 0.0019 0.0112 0.0031 82 PHE 33 HD2 0.0042 0.0085 0.0042 83 PHE 33 HE1 0.0010 0.0111 0.0054 84 PHE 33 HE2 0.0033 0.0084 0.0065 85 PHE 33 HZ 0.0017 0.0097 0.0071 86 ASP 34 N 0.0031 0.0057 0.0004 87 ASP 34 CA 0.0028 0.0043 0.0011 88 ASP 34 C 0.0023 0.0032 0.0000 89 ASP 34 O 0.0022 0.0033 -0.0010 90 ASP 34 CB 0.0030 0.0042 0.0021 91 ASP 34 CG 0.0028 0.0029 0.0030 92 ASP 34 OD1 0.0024 0.0018 0.0025 93 ASP 34 OD2 0.0031 0.0029 0.0043 94 ASP 34 H 0.0031 0.0060 -0.0000 95 ASP 34 HA 0.0029 0.0042 0.0017 96 ASP 34 HB2 0.0034 0.0051 0.0028 97 ASP 34 HB3 0.0029 0.0042 0.0015 98 PRO 35 N 0.0036 0.0007 0.0056 99 PRO 35 CA 0.0011 -0.0006 0.0044 100 PRO 35 C 0.0001 -0.0012 0.0040 101 PRO 35 O -0.0020 -0.0024 0.0030 102 PRO 35 CB 0.0004 -0.0027 0.0059 103 PRO 35 CG 0.0023 -0.0032 0.0083 104 PRO 35 CD 0.0045 -0.0009 0.0081 105 PRO 35 HA 0.0004 0.0004 0.0027 106 PRO 35 HB2 -0.0012 -0.0041 0.0056 107 PRO 35 HB3 0.0004 -0.0024 0.0054 108 PRO 35 HG2 0.0020 -0.0041 0.0089 109 PRO 35 HG3 0.0025 -0.0041 0.0094 110 PRO 35 HD2 0.0055 -0.0009 0.0092 111 PRO 35 HD3 0.0054 -0.0004 0.0086 112 ASP 36 N 0.0032 0.0009 0.0031 113 ASP 36 CA 0.0037 0.0048 0.0018 114 ASP 36 C 0.0036 0.0050 0.0022 115 ASP 36 O 0.0035 0.0082 0.0030 116 ASP 36 CB 0.0047 0.0056 -0.0024 117 ASP 36 CG 0.0052 0.0095 -0.0040 118 ASP 36 OD1 0.0050 0.0127 -0.0028 119 ASP 36 OD2 0.0057 0.0095 -0.0064 120 ASP 36 H 0.0035 -0.0014 0.0014 121 ASP 36 HA 0.0033 0.0071 0.0037 122 ASP 36 HB2 0.0047 0.0057 -0.0025 123 ASP 36 HB3 0.0050 0.0032 -0.0042 124 LEU 37 N 0.0030 -0.0062 -0.0015 125 LEU 37 CA 0.0031 -0.0059 -0.0016 126 LEU 37 C 0.0036 -0.0054 -0.0040 127 LEU 37 O 0.0040 -0.0040 -0.0052 128 LEU 37 CB 0.0029 -0.0041 0.0000 129 LEU 37 CG 0.0023 -0.0047 0.0026 130 LEU 37 CD1 0.0021 -0.0068 0.0030 131 LEU 37 CD2 0.0021 -0.0050 0.0036 132 LEU 37 H 0.0031 -0.0048 -0.0012 133 LEU 37 HA 0.0028 -0.0076 -0.0012 134 LEU 37 HB2 0.0031 -0.0026 -0.0002 135 LEU 37 HB3 0.0030 -0.0037 -0.0005 136 LEU 37 HG 0.0023 -0.0033 0.0035 137 LEU 37 HD11 0.0017 -0.0072 0.0048 138 LEU 37 HD12 0.0021 -0.0083 0.0021 139 LEU 37 HD13 0.0022 -0.0065 0.0024 140 LEU 37 HD21 0.0017 -0.0054 0.0053 141 LEU 37 HD22 0.0023 -0.0034 0.0034 142 LEU 37 HD23 0.0022 -0.0064 0.0027 143 PRO 38 N 0.0044 -0.0033 -0.0065 144 PRO 38 CA 0.0029 -0.0023 -0.0075 145 PRO 38 C 0.0016 -0.0003 -0.0074 146 PRO 38 O 0.0019 0.0009 -0.0059 147 PRO 38 CB 0.0036 -0.0020 -0.0063 148 PRO 38 CG 0.0054 -0.0034 -0.0053 149 PRO 38 CD 0.0059 -0.0037 -0.0049 150 PRO 38 HA 0.0024 -0.0033 -0.0090 151 PRO 38 HB2 0.0033 -0.0004 -0.0053 152 PRO 38 HB3 0.0030 -0.0022 -0.0073 153 PRO 38 HG2 0.0060 -0.0028 -0.0039 154 PRO 38 HG3 0.0057 -0.0049 -0.0062 155 PRO 38 HD2 0.0062 -0.0026 -0.0035 156 PRO 38 HD3 0.0069 -0.0052 -0.0049 157 GLY 39 N -0.0008 -0.0014 -0.0097 158 GLY 39 CA -0.0020 -0.0001 -0.0097 159 GLY 39 C -0.0014 -0.0009 -0.0098 160 GLY 39 O -0.0017 0.0002 -0.0095 161 GLY 39 H -0.0013 -0.0024 -0.0105 162 GLY 39 HA2 -0.0035 -0.0001 -0.0106 163 GLY 39 HA3 -0.0017 0.0014 -0.0089 164 GLY 40 N 0.0004 0.0001 -0.0060 165 GLY 40 CA 0.0008 0.0008 -0.0045 166 GLY 40 C 0.0010 0.0011 -0.0032 167 GLY 40 O 0.0015 0.0018 -0.0019 168 GLY 40 H -0.0001 -0.0009 -0.0062 169 GLY 40 HA2 0.0004 0.0000 -0.0040 170 GLY 40 HA3 0.0014 0.0018 -0.0049 171 GLY 41 N 0.0020 -0.0018 -0.0039 172 GLY 41 CA 0.0022 -0.0013 -0.0024 173 GLY 41 C 0.0021 0.0004 -0.0023 174 GLY 41 O 0.0022 0.0010 -0.0011 175 GLY 41 H 0.0019 -0.0023 -0.0047 176 GLY 41 HA2 0.0022 -0.0020 -0.0022 177 GLY 41 HA3 0.0023 -0.0016 -0.0016 178 LEU 42 N -0.0003 0.0008 -0.0043 179 LEU 42 CA 0.0003 0.0010 -0.0045 180 LEU 42 C 0.0005 0.0009 -0.0052 181 LEU 42 O 0.0009 0.0012 -0.0054 182 LEU 42 CB 0.0007 0.0013 -0.0044 183 LEU 42 CG 0.0006 0.0014 -0.0037 184 LEU 42 CD1 0.0010 0.0016 -0.0037 185 LEU 42 CD2 0.0008 0.0016 -0.0032 186 LEU 42 H -0.0004 0.0007 -0.0044 187 LEU 42 HA 0.0004 0.0012 -0.0042 188 LEU 42 HB2 0.0006 0.0011 -0.0047 189 LEU 42 HB3 0.0012 0.0015 -0.0045 190 LEU 42 HG 0.0002 0.0012 -0.0036 191 LEU 42 HD11 0.0010 0.0017 -0.0032 192 LEU 42 HD12 0.0015 0.0019 -0.0038 193 LEU 42 HD13 0.0009 0.0015 -0.0040 194 LEU 42 HD21 0.0012 0.0018 -0.0033 195 LEU 42 HD22 0.0007 0.0017 -0.0027 196 LEU 42 HD23 0.0005 0.0015 -0.0032 197 HIS 43 N -0.0043 0.0030 -0.0074 198 HIS 43 CA -0.0048 0.0045 -0.0059 199 HIS 43 C -0.0028 0.0046 -0.0042 200 HIS 43 O -0.0014 0.0037 -0.0043 201 HIS 43 CB -0.0058 0.0045 -0.0066 202 HIS 43 CG -0.0078 0.0042 -0.0084 203 HIS 43 ND1 -0.0098 0.0054 -0.0083 204 HIS 43 CD2 -0.0079 0.0028 -0.0103 205 HIS 43 CE1 -0.0112 0.0049 -0.0101 206 HIS 43 NE2 -0.0101 0.0033 -0.0113 207 HIS 43 H -0.0032 0.0019 -0.0080 208 HIS 43 HA -0.0059 0.0055 -0.0053 209 HIS 43 HB2 -0.0046 0.0036 -0.0068 210 HIS 43 HB3 -0.0063 0.0057 -0.0053 211 HIS 43 HD1 -0.0102 0.0066 -0.0070 212 HIS 43 HD2 -0.0066 0.0016 -0.0110 213 HIS 43 HE1 -0.0130 0.0056 -0.0104 214 HIS 43 HE2 -0.0107 0.0025 -0.0128 215 ARG 44 N 0.0007 0.0023 -0.0016 216 ARG 44 CA 0.0015 0.0017 -0.0001 217 ARG 44 C 0.0017 0.0036 0.0003 218 ARG 44 O 0.0015 0.0056 0.0002 219 ARG 44 CB 0.0026 0.0013 0.0018 220 ARG 44 CG 0.0026 -0.0001 0.0017 221 ARG 44 CD 0.0037 -0.0002 0.0037 222 ARG 44 NE 0.0037 -0.0015 0.0038 223 ARG 44 CZ 0.0047 -0.0020 0.0054 224 ARG 44 NH1 0.0056 -0.0013 0.0071 225 ARG 44 NH2 0.0046 -0.0031 0.0053 226 ARG 44 H 0.0007 0.0037 -0.0014 227 ARG 44 HA 0.0013 0.0002 -0.0006 228 ARG 44 HB2 0.0029 0.0029 0.0024 229 ARG 44 HB3 0.0031 0.0005 0.0027 230 ARG 44 HG2 0.0023 -0.0018 0.0013 231 ARG 44 HG3 0.0020 0.0006 0.0007 232 ARG 44 HD2 0.0039 0.0015 0.0042 233 ARG 44 HD3 0.0042 -0.0010 0.0047 234 ARG 44 HE 0.0030 -0.0019 0.0025 235 ARG 44 HH11 0.0056 -0.0004 0.0072 236 ARG 44 HH12 0.0063 -0.0016 0.0084 237 ARG 44 HH21 0.0040 -0.0037 0.0041 238 ARG 44 HH22 0.0053 -0.0035 0.0065 239 CYS 45 N -0.0000 0.0004 -0.0010 240 CYS 45 CA 0.0005 0.0022 0.0000 241 CYS 45 C 0.0024 0.0018 0.0008 242 CYS 45 O 0.0036 0.0009 0.0009 243 CYS 45 CB 0.0003 0.0032 0.0004 244 CYS 45 SG 0.0013 0.0053 0.0019 245 CYS 45 H 0.0003 -0.0005 -0.0013 246 CYS 45 HA -0.0003 0.0029 -0.0000 247 CYS 45 HB2 -0.0011 0.0036 -0.0001 248 CYS 45 HB3 0.0009 0.0023 0.0003 249 LEU 46 N 0.0071 0.0045 0.0034 250 LEU 46 CA 0.0127 0.0035 -0.0002 251 LEU 46 C 0.0172 0.0092 0.0005 252 LEU 46 O 0.0223 0.0096 -0.0021 253 LEU 46 CB 0.0121 0.0001 -0.0017 254 LEU 46 CG 0.0079 -0.0059 -0.0027 255 LEU 46 CD1 0.0072 -0.0087 -0.0038 256 LEU 46 CD2 0.0100 -0.0099 -0.0059 257 LEU 46 H 0.0038 0.0036 0.0047 258 LEU 46 HA 0.0141 0.0009 -0.0024 259 LEU 46 HB2 0.0106 0.0027 0.0005 260 LEU 46 HB3 0.0163 -0.0005 -0.0043 261 LEU 46 HG 0.0038 -0.0052 -0.0001 262 LEU 46 HD11 0.0054 -0.0060 -0.0014 263 LEU 46 HD12 0.0044 -0.0130 -0.0046 264 LEU 46 HD13 0.0115 -0.0090 -0.0063 265 LEU 46 HD21 0.0100 -0.0080 -0.0050 266 LEU 46 HD22 0.0143 -0.0103 -0.0085 267 LEU 46 HD23 0.0070 -0.0141 -0.0066 268 ALA 47 N 0.0137 0.0097 0.0002 269 ALA 47 CA 0.0169 0.0140 0.0018 270 ALA 47 C 0.0197 0.0165 0.0021 271 ALA 47 O 0.0233 0.0198 0.0025 272 ALA 47 CB 0.0142 0.0166 0.0058 273 ALA 47 H 0.0103 0.0089 0.0019 274 ALA 47 HA 0.0195 0.0137 -0.0002 275 ALA 47 HB1 0.0167 0.0197 0.0069 276 ALA 47 HB2 0.0117 0.0170 0.0079 277 ALA 47 HB3 0.0123 0.0148 0.0056 278 CYS 48 N 0.0156 0.0074 0.0026 279 CYS 48 CA 0.0138 0.0051 0.0023 280 CYS 48 C 0.0141 0.0009 0.0037 281 CYS 48 O 0.0133 -0.0013 0.0038 282 CYS 48 CB 0.0099 0.0059 0.0001 283 CYS 48 SG 0.0095 0.0106 -0.0014 284 CYS 48 H 0.0148 0.0071 0.0023 285 CYS 48 HA 0.0151 0.0061 0.0027 286 CYS 48 HB2 0.0081 0.0057 -0.0008 287 CYS 48 HB3 0.0086 0.0042 -0.0001 288 ALA 49 N 0.0125 0.0018 0.0047 289 ALA 49 CA 0.0127 -0.0034 0.0079 290 ALA 49 C 0.0074 -0.0071 0.0065 291 ALA 49 O 0.0065 -0.0118 0.0087 292 ALA 49 CB 0.0154 -0.0055 0.0110 293 ALA 49 H 0.0143 0.0047 0.0042 294 ALA 49 HA 0.0147 -0.0031 0.0091 295 ALA 49 HB1 0.0134 -0.0058 0.0099 296 ALA 49 HB2 0.0191 -0.0029 0.0120 297 ALA 49 HB3 0.0157 -0.0092 0.0135 298 ARG 50 N 0.0013 -0.0025 0.0077 299 ARG 50 CA -0.0016 -0.0041 0.0067 300 ARG 50 C 0.0013 -0.0025 0.0075 301 ARG 50 O 0.0056 0.0001 0.0061 302 ARG 50 CB -0.0040 -0.0051 0.0009 303 ARG 50 CG -0.0074 -0.0070 -0.0002 304 ARG 50 CD -0.0096 -0.0078 -0.0060 305 ARG 50 NE -0.0129 -0.0096 -0.0072 306 ARG 50 CZ -0.0150 -0.0104 -0.0121 307 ARG 50 NH1 -0.0144 -0.0097 -0.0162 308 ARG 50 NH2 -0.0178 -0.0120 -0.0129 309 ARG 50 H 0.0036 -0.0010 0.0051 310 ARG 50 HA -0.0043 -0.0060 0.0096 311 ARG 50 HB2 -0.0013 -0.0032 -0.0021 312 ARG 50 HB3 -0.0059 -0.0061 0.0003 313 ARG 50 HG2 -0.0102 -0.0088 0.0027 314 ARG 50 HG3 -0.0055 -0.0059 0.0003 315 ARG 50 HD2 -0.0068 -0.0059 -0.0089 316 ARG 50 HD3 -0.0116 -0.0089 -0.0064 317 ARG 50 HE -0.0134 -0.0101 -0.0040 318 ARG 50 HH11 -0.0124 -0.0086 -0.0158 319 ARG 50 HH12 -0.0160 -0.0103 -0.0200 320 ARG 50 HH21 -0.0184 -0.0126 -0.0098 321 ARG 50 HH22 -0.0194 -0.0126 -0.0165 322 TYR 51 N 0.0020 -0.0002 0.0000 323 TYR 51 CA 0.0008 -0.0002 -0.0015 324 TYR 51 C -0.0010 -0.0004 -0.0039 325 TYR 51 O -0.0013 -0.0022 -0.0044 326 TYR 51 CB 0.0013 -0.0028 -0.0011 327 TYR 51 CG 0.0032 -0.0030 0.0012 328 TYR 51 CD1 0.0045 -0.0044 0.0029 329 TYR 51 CD2 0.0036 -0.0019 0.0019 330 TYR 51 CE1 0.0062 -0.0046 0.0050 331 TYR 51 CE2 0.0053 -0.0020 0.0041 332 TYR 51 CZ 0.0066 -0.0034 0.0056 333 TYR 51 OH 0.0083 -0.0036 0.0078 334 TYR 51 H 0.0022 -0.0021 0.0001 335 TYR 51 HA 0.0009 0.0016 -0.0012 336 TYR 51 HB2 0.0012 -0.0047 -0.0015 337 TYR 51 HB3 0.0004 -0.0028 -0.0023 338 TYR 51 HD1 0.0042 -0.0053 0.0024 339 TYR 51 HD2 0.0026 -0.0008 0.0007 340 TYR 51 HE1 0.0072 -0.0056 0.0062 341 TYR 51 HE2 0.0056 -0.0011 0.0045 342 TYR 51 HH 0.0087 -0.0055 0.0082 343 PHE 52 N -0.0023 0.0057 -0.0077 344 PHE 52 CA -0.0019 0.0057 -0.0070 345 PHE 52 C -0.0021 0.0057 -0.0077 346 PHE 52 O -0.0030 0.0056 -0.0084 347 PHE 52 CB -0.0025 0.0052 -0.0058 348 PHE 52 CG -0.0024 0.0051 -0.0050 349 PHE 52 CD1 -0.0030 0.0050 -0.0052 350 PHE 52 CD2 -0.0015 0.0052 -0.0040 351 PHE 52 CE1 -0.0029 0.0049 -0.0045 352 PHE 52 CE2 -0.0014 0.0051 -0.0033 353 PHE 52 CZ -0.0021 0.0050 -0.0036 354 PHE 52 H -0.0031 0.0054 -0.0079 355 PHE 52 HA -0.0010 0.0059 -0.0067 356 PHE 52 HB2 -0.0034 0.0050 -0.0060 357 PHE 52 HB3 -0.0022 0.0052 -0.0053 358 PHE 52 HD1 -0.0037 0.0049 -0.0060 359 PHE 52 HD2 -0.0010 0.0054 -0.0039 360 PHE 52 HE1 -0.0034 0.0047 -0.0047 361 PHE 52 HE2 -0.0007 0.0052 -0.0026 362 PHE 52 HZ -0.0019 0.0049 -0.0030 363 ILE 53 N -0.0036 0.0120 -0.0064 364 ILE 53 CA -0.0077 0.0058 -0.0011 365 ILE 53 C -0.0094 -0.0008 0.0017 366 ILE 53 O -0.0104 -0.0084 0.0040 367 ILE 53 CB -0.0137 0.0108 0.0043 368 ILE 53 CG1 -0.0172 0.0170 0.0069 369 ILE 53 CG2 -0.0123 0.0160 0.0020 370 ILE 53 CD1 -0.0233 0.0220 0.0124 371 ILE 53 H -0.0052 0.0183 -0.0057 372 ILE 53 HA -0.0053 0.0022 -0.0030 373 ILE 53 HB -0.0167 0.0059 0.0082 374 ILE 53 HG12 -0.0142 0.0219 0.0030 375 ILE 53 HG13 -0.0182 0.0130 0.0085 376 ILE 53 HG21 -0.0090 0.0207 -0.0022 377 ILE 53 HG22 -0.0102 0.0114 0.0006 378 ILE 53 HG23 -0.0166 0.0195 0.0058 379 ILE 53 HD11 -0.0265 0.0173 0.0164 380 ILE 53 HD12 -0.0253 0.0263 0.0138 381 ILE 53 HD13 -0.0224 0.0260 0.0108 382 ASP 54 N -0.0062 0.0096 -0.0039 383 ASP 54 CA -0.0070 0.0070 -0.0026 384 ASP 54 C -0.0075 0.0055 -0.0030 385 ASP 54 O -0.0071 0.0068 -0.0034 386 ASP 54 CB -0.0069 0.0074 0.0006 387 ASP 54 CG -0.0078 0.0049 0.0021 388 ASP 54 OD1 -0.0082 0.0038 0.0021 389 ASP 54 OD2 -0.0081 0.0039 0.0034 390 ASP 54 H -0.0059 0.0105 -0.0041 391 ASP 54 HA -0.0074 0.0059 -0.0035 392 ASP 54 HB2 -0.0065 0.0086 0.0008 393 ASP 54 HB3 -0.0066 0.0085 0.0015 394 SER 55 N -0.0101 0.0055 -0.0046 395 SER 55 CA -0.0127 0.0034 -0.0027 396 SER 55 C -0.0111 0.0017 0.0007 397 SER 55 O -0.0122 0.0002 0.0025 398 SER 55 CB -0.0156 0.0028 -0.0035 399 SER 55 OG -0.0182 0.0007 -0.0017 400 SER 55 H -0.0103 0.0062 -0.0058 401 SER 55 HA -0.0137 0.0034 -0.0033 402 SER 55 HB2 -0.0168 0.0039 -0.0059 403 SER 55 HB3 -0.0147 0.0030 -0.0033 404 SER 55 HG -0.0177 -0.0002 0.0001 405 THR 56 N -0.0085 0.0009 0.0000 406 THR 56 CA -0.0059 -0.0010 0.0056 407 THR 56 C -0.0040 0.0013 0.0056 408 THR 56 O -0.0043 -0.0015 0.0084 409 THR 56 CB -0.0017 0.0007 0.0094 410 THR 56 OG1 -0.0034 -0.0009 0.0089 411 THR 56 CG2 0.0006 -0.0018 0.0155 412 THR 56 H -0.0071 0.0032 -0.0008 413 THR 56 HA -0.0083 -0.0052 0.0072 414 THR 56 HB 0.0009 0.0049 0.0080 415 THR 56 HG1 -0.0035 0.0019 0.0055 416 THR 56 HG21 0.0036 -0.0006 0.0181 417 THR 56 HG22 -0.0020 -0.0061 0.0169 418 THR 56 HG23 0.0019 -0.0006 0.0159 419 ASN 57 N -0.0044 0.0028 0.0054 420 ASN 57 CA -0.0035 0.0055 0.0044 421 ASN 57 C -0.0045 0.0045 0.0015 422 ASN 57 O -0.0041 0.0054 0.0016 423 ASN 57 CB -0.0024 0.0088 0.0030 424 ASN 57 CG -0.0009 0.0109 0.0060 425 ASN 57 OD1 0.0003 0.0132 0.0072 426 ASN 57 ND2 -0.0009 0.0102 0.0074 427 ASN 57 H -0.0044 0.0032 0.0046 428 ASN 57 HA -0.0028 0.0061 0.0068 429 ASN 57 HB2 -0.0030 0.0079 0.0015 430 ASN 57 HB3 -0.0021 0.0103 0.0011 431 ASN 57 HD21 -0.0018 0.0084 0.0064 432 ASN 57 HD22 0.0001 0.0116 0.0093 433 LEU 58 N -0.0049 0.0026 -0.0014 434 LEU 58 CA -0.0063 0.0022 -0.0010 435 LEU 58 C -0.0078 0.0013 0.0016 436 LEU 58 O -0.0076 0.0010 0.0031 437 LEU 58 CB -0.0081 0.0026 -0.0034 438 LEU 58 CG -0.0102 0.0022 -0.0033 439 LEU 58 CD1 -0.0126 0.0015 -0.0020 440 LEU 58 CD2 -0.0090 0.0021 -0.0021 441 LEU 58 H -0.0054 0.0028 -0.0028 442 LEU 58 HA -0.0049 0.0024 -0.0008 443 LEU 58 HB2 -0.0069 0.0032 -0.0050 444 LEU 58 HB3 -0.0092 0.0025 -0.0039 445 LEU 58 HG -0.0109 0.0026 -0.0052 446 LEU 58 HD11 -0.0140 0.0013 -0.0020 447 LEU 58 HD12 -0.0121 0.0011 -0.0000 448 LEU 58 HD13 -0.0135 0.0016 -0.0030 449 LEU 58 HD21 -0.0084 0.0017 -0.0001 450 LEU 58 HD22 -0.0105 0.0019 -0.0021 451 LEU 58 HD23 -0.0073 0.0026 -0.0032 452 LYS 59 N -0.0104 -0.0054 0.0029 453 LYS 59 CA -0.0115 -0.0071 0.0049 454 LYS 59 C -0.0091 -0.0098 0.0067 455 LYS 59 O -0.0102 -0.0118 0.0090 456 LYS 59 CB -0.0121 -0.0059 0.0040 457 LYS 59 CG -0.0090 -0.0054 0.0024 458 LYS 59 CD -0.0099 -0.0040 0.0014 459 LYS 59 CE -0.0112 -0.0057 0.0034 460 LYS 59 NZ -0.0086 -0.0080 0.0048 461 LYS 59 H -0.0099 -0.0037 0.0011 462 LYS 59 HA -0.0139 -0.0074 0.0060 463 LYS 59 HB2 -0.0131 -0.0072 0.0055 464 LYS 59 HB3 -0.0140 -0.0041 0.0028 465 LYS 59 HG2 -0.0079 -0.0041 0.0009 466 LYS 59 HG3 -0.0072 -0.0072 0.0035 467 LYS 59 HD2 -0.0119 -0.0023 0.0004 468 LYS 59 HD3 -0.0077 -0.0034 0.0001 469 LYS 59 HE2 -0.0134 -0.0063 0.0048 470 LYS 59 HE3 -0.0120 -0.0045 0.0026 471 LYS 59 HZ1 -0.0065 -0.0074 0.0036 472 LYS 59 HZ2 -0.0096 -0.0091 0.0061 473 LYS 59 HZ3 -0.0077 -0.0092 0.0056 474 THR 60 N -0.0040 -0.0095 0.0113 475 THR 60 CA 0.0006 -0.0106 0.0158 476 THR 60 C -0.0026 -0.0100 0.0127 477 THR 60 O -0.0017 -0.0139 0.0157 478 THR 60 CB 0.0080 -0.0045 0.0186 479 THR 60 OG1 0.0109 -0.0053 0.0216 480 THR 60 CG2 0.0129 -0.0055 0.0234 481 THR 60 H -0.0023 -0.0049 0.0101 482 THR 60 HA 0.0009 -0.0165 0.0195 483 THR 60 HB 0.0073 0.0012 0.0148 484 THR 60 HG1 0.0085 -0.0034 0.0185 485 THR 60 HG21 0.0179 -0.0011 0.0252 486 THR 60 HG22 0.0133 -0.0113 0.0272 487 THR 60 HG23 0.0108 -0.0048 0.0212 488 HIS 61 N -0.0043 -0.0071 0.0072 489 HIS 61 CA -0.0037 -0.0068 0.0068 490 HIS 61 C -0.0050 -0.0076 0.0077 491 HIS 61 O -0.0044 -0.0074 0.0083 492 HIS 61 CB -0.0035 -0.0062 0.0046 493 HIS 61 CG -0.0036 -0.0061 0.0040 494 HIS 61 ND1 -0.0022 -0.0055 0.0045 495 HIS 61 CD2 -0.0050 -0.0065 0.0030 496 HIS 61 CE1 -0.0028 -0.0056 0.0038 497 HIS 61 NE2 -0.0044 -0.0062 0.0030 498 HIS 61 H -0.0047 -0.0070 0.0060 499 HIS 61 HA -0.0024 -0.0063 0.0076 500 HIS 61 HB2 -0.0023 -0.0054 0.0042 501 HIS 61 HB3 -0.0046 -0.0065 0.0037 502 HIS 61 HD1 -0.0010 -0.0050 0.0052 503 HIS 61 HD2 -0.0063 -0.0070 0.0024 504 HIS 61 HE1 -0.0022 -0.0053 0.0040 505 PHE 62 N -0.0030 -0.0127 0.0092 506 PHE 62 CA -0.0053 -0.0132 0.0116 507 PHE 62 C -0.0044 -0.0148 0.0130 508 PHE 62 O -0.0061 -0.0153 0.0150 509 PHE 62 CB -0.0080 -0.0110 0.0113 510 PHE 62 CG -0.0089 -0.0092 0.0098 511 PHE 62 CD1 -0.0092 -0.0095 0.0104 512 PHE 62 CD2 -0.0095 -0.0070 0.0076 513 PHE 62 CE1 -0.0100 -0.0077 0.0090 514 PHE 62 CE2 -0.0103 -0.0053 0.0062 515 PHE 62 CZ -0.0106 -0.0056 0.0068 516 PHE 62 H -0.0030 -0.0114 0.0075 517 PHE 62 HA -0.0055 -0.0140 0.0129 518 PHE 62 HB2 -0.0080 -0.0104 0.0105 519 PHE 62 HB3 -0.0095 -0.0116 0.0133 520 PHE 62 HD1 -0.0087 -0.0112 0.0121 521 PHE 62 HD2 -0.0093 -0.0068 0.0071 522 PHE 62 HE1 -0.0102 -0.0081 0.0095 523 PHE 62 HE2 -0.0108 -0.0036 0.0045 524 PHE 62 HZ -0.0112 -0.0042 0.0055 525 ARG 63 N -0.0231 -0.0301 0.0003 526 ARG 63 CA -0.0152 -0.0438 -0.0033 527 ARG 63 C -0.0253 -0.0547 -0.0069 528 ARG 63 O -0.0204 -0.0666 -0.0101 529 ARG 63 CB -0.0006 -0.0415 -0.0020 530 ARG 63 CG 0.0110 -0.0332 0.0009 531 ARG 63 CD 0.0253 -0.0309 0.0021 532 ARG 63 NE 0.0320 -0.0447 -0.0015 533 ARG 63 CZ 0.0457 -0.0461 -0.0013 534 ARG 63 NH1 0.0548 -0.0347 0.0023 535 ARG 63 NH2 0.0504 -0.0589 -0.0048 536 ARG 63 H -0.0210 -0.0215 0.0029 537 ARG 63 HA -0.0125 -0.0483 -0.0045 538 ARG 63 HB2 -0.0031 -0.0354 -0.0004 539 ARG 63 HB3 0.0041 -0.0519 -0.0048 540 ARG 63 HG2 0.0137 -0.0394 -0.0008 541 ARG 63 HG3 0.0063 -0.0228 0.0036 542 ARG 63 HD2 0.0333 -0.0254 0.0041 543 ARG 63 HD3 0.0226 -0.0243 0.0039 544 ARG 63 HE 0.0256 -0.0533 -0.0043 545 ARG 63 HH11 0.0517 -0.0248 0.0050 546 ARG 63 HH12 0.0652 -0.0354 0.0025 547 ARG 63 HH21 0.0438 -0.0677 -0.0076 548 ARG 63 HH22 0.0606 -0.0606 -0.0049 549 SER 64 N -0.0045 -0.0226 0.0019 550 SER 64 CA -0.0025 -0.0229 0.0048 551 SER 64 C 0.0028 -0.0145 0.0081 552 SER 64 O 0.0074 -0.0138 0.0142 553 SER 64 CB -0.0006 -0.0310 0.0110 554 SER 64 OG -0.0049 -0.0389 0.0088 555 SER 64 H -0.0031 -0.0257 0.0051 556 SER 64 HA -0.0058 -0.0232 0.0003 557 SER 64 HB2 0.0033 -0.0299 0.0159 558 SER 64 HB3 0.0001 -0.0319 0.0125 559 SER 64 HG -0.0081 -0.0406 0.0052 560 LYS 65 N 0.0043 -0.0070 0.0229 561 LYS 65 CA 0.0174 -0.0024 0.0164 562 LYS 65 C 0.0229 -0.0017 0.0158 563 LYS 65 O 0.0355 -0.0011 0.0160 564 LYS 65 CB 0.0169 0.0049 0.0037 565 LYS 65 CG 0.0044 0.0093 -0.0050 566 LYS 65 CD 0.0041 0.0117 -0.0092 567 LYS 65 CE -0.0084 0.0159 -0.0177 568 LYS 65 NZ -0.0094 0.0180 -0.0213 569 LYS 65 H -0.0040 -0.0050 0.0187 570 LYS 65 HA 0.0251 -0.0053 0.0220 571 LYS 65 HB2 0.0263 0.0082 -0.0009 572 LYS 65 HB3 0.0170 0.0041 0.0052 573 LYS 65 HG2 0.0049 0.0139 -0.0129 574 LYS 65 HG3 -0.0052 0.0061 -0.0004 575 LYS 65 HD2 0.0036 0.0072 -0.0014 576 LYS 65 HD3 0.0136 0.0150 -0.0139 577 LYS 65 HE2 -0.0073 0.0207 -0.0257 578 LYS 65 HE3 -0.0178 0.0127 -0.0132 579 LYS 65 HZ1 -0.0005 0.0211 -0.0257 580 LYS 65 HZ2 -0.0108 0.0136 -0.0139 581 LYS 65 HZ3 -0.0179 0.0210 -0.0273 582 ASP 66 N 0.0238 0.0002 0.0202 583 ASP 66 CA 0.0242 0.0011 0.0175 584 ASP 66 C 0.0257 -0.0006 0.0190 585 ASP 66 O 0.0274 -0.0009 0.0170 586 ASP 66 CB 0.0209 0.0037 0.0166 587 ASP 66 CG 0.0212 0.0048 0.0134 588 ASP 66 OD1 0.0216 0.0059 0.0102 589 ASP 66 OD2 0.0210 0.0047 0.0140 590 ASP 66 H 0.0215 0.0012 0.0215 591 ASP 66 HA 0.0258 0.0010 0.0150 592 ASP 66 HB2 0.0197 0.0047 0.0160 593 ASP 66 HB3 0.0193 0.0037 0.0190 594 HIS 67 N 0.0147 0.0000 0.0200 595 HIS 67 CA 0.0147 -0.0007 0.0181 596 HIS 67 C 0.0129 -0.0010 0.0179 597 HIS 67 O 0.0131 -0.0012 0.0172 598 HIS 67 CB 0.0145 -0.0012 0.0168 599 HIS 67 CG 0.0146 -0.0018 0.0148 600 HIS 67 ND1 0.0157 -0.0019 0.0141 601 HIS 67 CD2 0.0142 -0.0024 0.0134 602 HIS 67 CE1 0.0161 -0.0025 0.0123 603 HIS 67 NE2 0.0152 -0.0028 0.0119 604 HIS 67 H 0.0146 0.0001 0.0203 605 HIS 67 HA 0.0159 -0.0006 0.0177 606 HIS 67 HB2 0.0158 -0.0010 0.0168 607 HIS 67 HB3 0.0132 -0.0013 0.0170 608 HIS 67 HD1 0.0162 -0.0016 0.0147 609 HIS 67 HD2 0.0131 -0.0025 0.0136 610 HIS 67 HE1 0.0169 -0.0027 0.0113 611 LYS 68 N 0.0182 -0.0032 0.0168 612 LYS 68 CA 0.0178 -0.0021 0.0169 613 LYS 68 C 0.0202 0.0014 0.0188 614 LYS 68 O 0.0217 0.0019 0.0194 615 LYS 68 CB 0.0134 -0.0013 0.0157 616 LYS 68 CG 0.0110 -0.0048 0.0138 617 LYS 68 CD 0.0066 -0.0037 0.0126 618 LYS 68 CE 0.0049 -0.0000 0.0131 619 LYS 68 NZ 0.0006 0.0009 0.0119 620 LYS 68 H 0.0159 -0.0026 0.0162 621 LYS 68 HA 0.0190 -0.0047 0.0166 622 LYS 68 HB2 0.0124 0.0014 0.0161 623 LYS 68 HB3 0.0130 -0.0008 0.0157 624 LYS 68 HG2 0.0121 -0.0077 0.0134 625 LYS 68 HG3 0.0113 -0.0053 0.0138 626 LYS 68 HD2 0.0062 -0.0031 0.0127 627 LYS 68 HD3 0.0049 -0.0063 0.0113 628 LYS 68 HE2 0.0055 -0.0006 0.0131 629 LYS 68 HE3 0.0064 0.0026 0.0144 630 LYS 68 HZ1 -0.0000 0.0015 0.0119 631 LYS 68 HZ2 -0.0005 0.0034 0.0123 632 LYS 68 HZ3 -0.0009 -0.0016 0.0107 633 LYS 69 N 0.0317 0.0022 0.0082 634 LYS 69 CA 0.0293 -0.0011 0.0014 635 LYS 69 C 0.0236 0.0010 0.0015 636 LYS 69 O 0.0241 -0.0012 -0.0016 637 LYS 69 CB 0.0257 -0.0024 -0.0027 638 LYS 69 CG 0.0207 -0.0048 -0.0094 639 LYS 69 CD 0.0171 -0.0052 -0.0120 640 LYS 69 CE 0.0116 -0.0073 -0.0185 641 LYS 69 NZ 0.0082 -0.0072 -0.0204 642 LYS 69 H 0.0310 0.0029 0.0090 643 LYS 69 HA 0.0340 -0.0041 -0.0007 644 LYS 69 HB2 0.0301 -0.0046 -0.0037 645 LYS 69 HB3 0.0223 0.0007 0.0004 646 LYS 69 HG2 0.0166 -0.0026 -0.0082 647 LYS 69 HG3 0.0240 -0.0081 -0.0128 648 LYS 69 HD2 0.0216 -0.0073 -0.0129 649 LYS 69 HD3 0.0144 -0.0018 -0.0082 650 LYS 69 HE2 0.0072 -0.0053 -0.0178 651 LYS 69 HE3 0.0144 -0.0108 -0.0226 652 LYS 69 HZ1 0.0041 -0.0085 -0.0248 653 LYS 69 HZ2 0.0056 -0.0038 -0.0164 654 LYS 69 HZ3 0.0123 -0.0090 -0.0209 655 ARG 70 N 0.0275 -0.0019 0.0123 656 ARG 70 CA 0.0163 0.0033 0.0108 657 ARG 70 C 0.0156 0.0088 0.0125 658 ARG 70 O 0.0069 0.0093 0.0101 659 ARG 70 CB 0.0131 0.0118 0.0128 660 ARG 70 CG 0.0009 0.0167 0.0109 661 ARG 70 CD -0.0070 0.0077 0.0055 662 ARG 70 NE -0.0187 0.0121 0.0036 663 ARG 70 CZ -0.0268 0.0065 -0.0008 664 ARG 70 NH1 -0.0244 -0.0038 -0.0037 665 ARG 70 NH2 -0.0372 0.0112 -0.0022 666 ARG 70 H 0.0323 0.0014 0.0148 667 ARG 70 HA 0.0107 -0.0031 0.0069 668 ARG 70 HB2 0.0148 0.0082 0.0121 669 ARG 70 HB3 0.0183 0.0184 0.0167 670 ARG 70 HG2 -0.0007 0.0224 0.0125 671 ARG 70 HG3 -0.0004 0.0209 0.0120 672 ARG 70 HD2 -0.0052 0.0019 0.0040 673 ARG 70 HD3 -0.0059 0.0036 0.0044 674 ARG 70 HE -0.0205 0.0196 0.0057 675 ARG 70 HH11 -0.0167 -0.0078 -0.0028 676 ARG 70 HH12 -0.0304 -0.0081 -0.0069 677 ARG 70 HH21 -0.0391 0.0189 -0.0001 678 ARG 70 HH22 -0.0436 0.0074 -0.0054 679 LEU 71 N 0.0151 0.0100 0.0145 680 LEU 71 CA 0.0140 0.0092 0.0132 681 LEU 71 C 0.0126 0.0080 0.0134 682 LEU 71 O 0.0117 0.0075 0.0120 683 LEU 71 CB 0.0139 0.0091 0.0136 684 LEU 71 CG 0.0153 0.0103 0.0135 685 LEU 71 CD1 0.0149 0.0099 0.0138 686 LEU 71 CD2 0.0159 0.0111 0.0116 687 LEU 71 H 0.0156 0.0101 0.0155 688 LEU 71 HA 0.0143 0.0097 0.0118 689 LEU 71 HB2 0.0136 0.0085 0.0150 690 LEU 71 HB3 0.0130 0.0085 0.0126 691 LEU 71 HG 0.0161 0.0108 0.0146 692 LEU 71 HD11 0.0141 0.0094 0.0127 693 LEU 71 HD12 0.0146 0.0094 0.0152 694 LEU 71 HD13 0.0159 0.0108 0.0138 695 LEU 71 HD21 0.0162 0.0114 0.0115 696 LEU 71 HD22 0.0150 0.0106 0.0105 697 LEU 71 HD23 0.0168 0.0119 0.0116 698 LYS 72 N 0.0025 -0.0038 0.0145 699 LYS 72 CA 0.0136 0.0065 0.0109 700 LYS 72 C 0.0210 0.0082 0.0145 701 LYS 72 O 0.0329 0.0124 0.0187 702 LYS 72 CB 0.0094 0.0149 -0.0026 703 LYS 72 CG 0.0203 0.0260 -0.0075 704 LYS 72 CD 0.0153 0.0338 -0.0206 705 LYS 72 CE 0.0261 0.0449 -0.0255 706 LYS 72 NZ 0.0215 0.0525 -0.0382 707 LYS 72 H -0.0061 -0.0044 0.0085 708 LYS 72 HA 0.0199 0.0069 0.0152 709 LYS 72 HB2 0.0041 0.0135 -0.0050 710 LYS 72 HB3 0.0030 0.0143 -0.0068 711 LYS 72 HG2 0.0251 0.0278 -0.0059 712 LYS 72 HG3 0.0271 0.0267 -0.0030 713 LYS 72 HD2 0.0103 0.0319 -0.0222 714 LYS 72 HD3 0.0086 0.0331 -0.0250 715 LYS 72 HE2 0.0308 0.0468 -0.0242 716 LYS 72 HE3 0.0330 0.0454 -0.0207 717 LYS 72 HZ1 0.0149 0.0522 -0.0431 718 LYS 72 HZ2 0.0170 0.0508 -0.0398 719 LYS 72 HZ3 0.0291 0.0600 -0.0414 720 GLN 73 N 0.0161 0.0062 0.0075 721 GLN 73 CA 0.0076 0.0035 0.0073 722 GLN 73 C 0.0029 0.0094 0.0144 723 GLN 73 O -0.0004 0.0094 0.0154 724 GLN 73 CB 0.0008 -0.0016 0.0042 725 GLN 73 CG 0.0046 -0.0080 -0.0031 726 GLN 73 CD -0.0022 -0.0128 -0.0059 727 GLN 73 OE1 -0.0078 -0.0106 -0.0022 728 GLN 73 NE2 -0.0019 -0.0194 -0.0125 729 GLN 73 H 0.0163 0.0052 0.0064 730 GLN 73 HA 0.0095 0.0009 0.0041 731 GLN 73 HB2 -0.0010 0.0010 0.0072 732 GLN 73 HB3 -0.0055 -0.0034 0.0042 733 GLN 73 HG2 0.0060 -0.0108 -0.0063 734 GLN 73 HG3 0.0110 -0.0063 -0.0033 735 GLN 73 HE21 0.0027 -0.0208 -0.0151 736 GLN 73 HE22 -0.0060 -0.0227 -0.0146 737 LEU 74 N 0.0011 0.0060 0.0055 738 LEU 74 CA -0.0023 0.0111 0.0058 739 LEU 74 C -0.0013 0.0122 0.0064 740 LEU 74 O -0.0046 0.0156 0.0063 741 LEU 74 CB -0.0013 0.0162 0.0075 742 LEU 74 CG -0.0050 0.0218 0.0078 743 LEU 74 CD1 -0.0113 0.0208 0.0056 744 LEU 74 CD2 -0.0033 0.0265 0.0096 745 LEU 74 H 0.0045 0.0066 0.0067 746 LEU 74 HA -0.0067 0.0102 0.0041 747 LEU 74 HB2 -0.0015 0.0150 0.0071 748 LEU 74 HB3 0.0030 0.0170 0.0091 749 LEU 74 HG -0.0045 0.0232 0.0084 750 LEU 74 HD11 -0.0138 0.0248 0.0059 751 LEU 74 HD12 -0.0119 0.0193 0.0050 752 LEU 74 HD13 -0.0125 0.0177 0.0043 753 LEU 74 HD21 -0.0039 0.0252 0.0091 754 LEU 74 HD22 -0.0060 0.0304 0.0098 755 LEU 74 HD23 0.0010 0.0273 0.0112 756 SER 75 N 0.0059 0.0099 0.0023 757 SER 75 CA -0.0036 0.0029 -0.0013 758 SER 75 C -0.0015 0.0078 -0.0072 759 SER 75 O -0.0088 0.0044 -0.0139 760 SER 75 CB -0.0132 -0.0015 -0.0102 761 SER 75 OG -0.0226 -0.0088 -0.0132 762 SER 75 H 0.0099 0.0092 0.0114 763 SER 75 HA -0.0052 -0.0029 0.0075 764 SER 75 HB2 -0.0144 -0.0049 -0.0055 765 SER 75 HB3 -0.0116 0.0043 -0.0190 766 SER 75 HG -0.0281 -0.0143 -0.0122 767 VAL 76 N -0.0024 0.0103 0.0025 768 VAL 76 CA -0.0013 0.0119 0.0002 769 VAL 76 C -0.0045 0.0084 0.0026 770 VAL 76 O -0.0074 0.0068 -0.0012 771 VAL 76 CB 0.0041 0.0161 0.0022 772 VAL 76 CG1 0.0051 0.0177 -0.0001 773 VAL 76 CG2 0.0074 0.0197 -0.0001 774 VAL 76 H 0.0001 0.0118 0.0053 775 VAL 76 HA -0.0021 0.0125 -0.0049 776 VAL 76 HB 0.0048 0.0154 0.0073 777 VAL 76 HG11 0.0089 0.0207 0.0014 778 VAL 76 HG12 0.0043 0.0183 -0.0052 779 VAL 76 HG13 0.0029 0.0152 0.0018 780 VAL 76 HG21 0.0111 0.0226 0.0014 781 VAL 76 HG22 0.0067 0.0186 0.0017 782 VAL 76 HG23 0.0066 0.0203 -0.0052 783 GLU 77 N -0.0081 0.0048 -0.0004 784 GLU 77 CA -0.0103 0.0019 0.0023 785 GLU 77 C -0.0113 0.0001 0.0064 786 GLU 77 O -0.0096 0.0016 0.0102 787 GLU 77 CB -0.0090 0.0032 0.0040 788 GLU 77 CG -0.0058 0.0067 0.0068 789 GLU 77 CD -0.0047 0.0077 0.0087 790 GLU 77 OE1 -0.0039 0.0091 0.0058 791 GLU 77 OE2 -0.0047 0.0071 0.0130 792 GLU 77 H -0.0066 0.0064 0.0015 793 GLU 77 HA -0.0123 -0.0002 -0.0002 794 GLU 77 HB2 -0.0105 0.0010 0.0064 795 GLU 77 HB3 -0.0089 0.0037 0.0010 796 GLU 77 HG2 -0.0041 0.0090 0.0045 797 GLU 77 HG3 -0.0058 0.0062 0.0098 798 PRO 78 N -0.0222 -0.0107 -0.0035 799 PRO 78 CA -0.0210 -0.0185 -0.0022 800 PRO 78 C -0.0157 -0.0212 0.0047 801 PRO 78 O -0.0146 -0.0216 0.0062 802 PRO 78 CB -0.0247 -0.0245 -0.0074 803 PRO 78 CG -0.0287 -0.0191 -0.0125 804 PRO 78 CD -0.0262 -0.0114 -0.0089 805 PRO 78 HA -0.0213 -0.0182 -0.0026 806 PRO 78 HB2 -0.0229 -0.0283 -0.0052 807 PRO 78 HB3 -0.0261 -0.0283 -0.0094 808 PRO 78 HG2 -0.0304 -0.0221 -0.0148 809 PRO 78 HG3 -0.0315 -0.0176 -0.0161 810 PRO 78 HD2 -0.0248 -0.0121 -0.0070 811 PRO 78 HD3 -0.0288 -0.0062 -0.0121 812 TYR 79 N -0.0404 -0.0063 -0.0151 813 TYR 79 CA -0.0160 -0.0122 0.0055 814 TYR 79 C -0.0108 0.0151 0.0259 815 TYR 79 O -0.0057 0.0256 0.0368 816 TYR 79 CB 0.0003 -0.0341 0.0091 817 TYR 79 CG -0.0023 -0.0627 -0.0095 818 TYR 79 CD1 -0.0180 -0.0696 -0.0287 819 TYR 79 CD2 0.0108 -0.0826 -0.0078 820 TYR 79 CE1 -0.0205 -0.0954 -0.0457 821 TYR 79 CE2 0.0084 -0.1085 -0.0247 822 TYR 79 CZ -0.0074 -0.1148 -0.0437 823 TYR 79 OH -0.0100 -0.1408 -0.0609 824 TYR 79 H -0.0502 -0.0092 -0.0263 825 TYR 79 HA -0.0136 -0.0203 0.0033 826 TYR 79 HB2 -0.0031 -0.0270 0.0098 827 TYR 79 HB3 0.0178 -0.0365 0.0250 828 TYR 79 HD1 -0.0283 -0.0543 -0.0302 829 TYR 79 HD2 0.0231 -0.0775 0.0071 830 TYR 79 HE1 -0.0329 -0.1002 -0.0605 831 TYR 79 HE2 0.0188 -0.1237 -0.0231 832 TYR 79 HH -0.0111 -0.1437 -0.0636 833 SER 80 N -0.0113 0.0017 0.0170 834 SER 80 CA -0.0097 0.0017 0.0154 835 SER 80 C -0.0101 0.0017 0.0159 836 SER 80 O -0.0119 0.0017 0.0173 837 SER 80 CB -0.0070 0.0020 0.0158 838 SER 80 OG -0.0052 0.0020 0.0141 839 SER 80 H -0.0107 0.0019 0.0187 840 SER 80 HA -0.0102 0.0016 0.0134 841 SER 80 HB2 -0.0068 0.0020 0.0155 842 SER 80 HB3 -0.0064 0.0021 0.0177 843 SER 80 HG -0.0054 0.0019 0.0126 844 GLN 81 N -0.0136 -0.0011 0.0122 845 GLN 81 CA -0.0149 -0.0012 0.0075 846 GLN 81 C -0.0157 -0.0010 0.0041 847 GLN 81 O -0.0161 -0.0026 0.0054 848 GLN 81 CB -0.0169 -0.0054 0.0071 849 GLN 81 CG -0.0181 -0.0052 0.0024 850 GLN 81 CD -0.0202 -0.0094 0.0016 851 GLN 81 OE1 -0.0214 -0.0131 0.0034 852 GLN 81 NE2 -0.0206 -0.0090 -0.0009 853 GLN 81 H -0.0142 -0.0037 0.0146 854 GLN 81 HA -0.0138 0.0017 0.0067 855 GLN 81 HB2 -0.0163 -0.0057 0.0099 856 GLN 81 HB3 -0.0181 -0.0082 0.0074 857 GLN 81 HG2 -0.0185 -0.0046 -0.0004 858 GLN 81 HG3 -0.0169 -0.0025 0.0022 859 GLN 81 HE21 -0.0196 -0.0059 -0.0022 860 GLN 81 HE22 -0.0220 -0.0116 -0.0015 861 GLU 82 N -0.0176 0.0128 -0.0134 862 GLU 82 CA -0.0193 0.0166 -0.0139 863 GLU 82 C -0.0176 0.0207 -0.0129 864 GLU 82 O -0.0187 0.0243 -0.0131 865 GLU 82 CB -0.0188 0.0163 -0.0137 866 GLU 82 CG -0.0205 0.0200 -0.0142 867 GLU 82 CD -0.0200 0.0193 -0.0140 868 GLU 82 OE1 -0.0167 0.0198 -0.0125 869 GLU 82 OE2 -0.0229 0.0182 -0.0153 870 GLU 82 H -0.0194 0.0115 -0.0143 871 GLU 82 HA -0.0224 0.0167 -0.0152 872 GLU 82 HB2 -0.0201 0.0134 -0.0145 873 GLU 82 HB3 -0.0156 0.0160 -0.0124 874 GLU 82 HG2 -0.0190 0.0229 -0.0133 875 GLU 82 HG3 -0.0236 0.0204 -0.0155 876 GLU 83 N -0.0091 -0.0036 -0.0057 877 GLU 83 CA -0.0138 0.0004 0.0000 878 GLU 83 C -0.0187 0.0072 -0.0033 879 GLU 83 O -0.0217 0.0110 -0.0041 880 GLU 83 CB -0.0140 -0.0018 0.0077 881 GLU 83 CG -0.0188 0.0020 0.0142 882 GLU 83 CD -0.0184 -0.0007 0.0218 883 GLU 83 OE1 -0.0191 -0.0001 0.0226 884 GLU 83 OE2 -0.0173 -0.0037 0.0271 885 GLU 83 H -0.0088 -0.0032 -0.0082 886 GLU 83 HA -0.0137 -0.0001 0.0011 887 GLU 83 HB2 -0.0105 -0.0066 0.0098 888 GLU 83 HB3 -0.0138 -0.0016 0.0064 889 GLU 83 HG2 -0.0222 0.0067 0.0124 890 GLU 83 HG3 -0.0192 0.0022 0.0151 891 ALA 84 N 0.0114 0.0019 -0.0129 892 ALA 84 CA 0.0240 0.0080 -0.0044 893 ALA 84 C 0.0195 0.0043 -0.0017 894 ALA 84 O 0.0265 0.0062 0.0090 895 ALA 84 CB 0.0300 0.0077 0.0121 896 ALA 84 H 0.0044 -0.0047 -0.0059 897 ALA 84 HA 0.0320 0.0157 -0.0129 898 ALA 84 HB1 0.0391 0.0121 0.0182 899 ALA 84 HB2 0.0217 -0.0000 0.0202 900 ALA 84 HB3 0.0339 0.0111 0.0094 901 GLU 85 N -0.0037 0.0213 -0.0234 902 GLU 85 CA -0.0044 0.0213 -0.0220 903 GLU 85 C -0.0087 0.0180 -0.0299 904 GLU 85 O -0.0162 0.0148 -0.0300 905 GLU 85 CB -0.0094 0.0207 -0.0132 906 GLU 85 CG -0.0092 0.0214 -0.0101 907 GLU 85 CD -0.0141 0.0184 -0.0152 908 GLU 85 OE1 -0.0217 0.0156 -0.0129 909 GLU 85 OE2 -0.0106 0.0187 -0.0214 910 GLU 85 H -0.0065 0.0192 -0.0284 911 GLU 85 HA 0.0018 0.0238 -0.0220 912 GLU 85 HB2 -0.0071 0.0226 -0.0082 913 GLU 85 HB3 -0.0158 0.0179 -0.0140 914 GLU 85 HG2 -0.0027 0.0238 -0.0118 915 GLU 85 HG3 -0.0107 0.0220 -0.0031 916 ARG 86 N -0.0141 0.0328 -0.0766 917 ARG 86 CA -0.0147 0.0439 -0.0660 918 ARG 86 C -0.0157 0.0426 -0.0435 919 ARG 86 O -0.0158 0.0276 -0.0352 920 ARG 86 CB -0.0143 0.0385 -0.0737 921 ARG 86 CG -0.0138 0.0161 -0.0766 922 ARG 86 CD -0.0144 0.0039 -0.0574 923 ARG 86 NE -0.0139 -0.0174 -0.0614 924 ARG 86 CZ -0.0142 -0.0323 -0.0486 925 ARG 86 NH1 -0.0151 -0.0285 -0.0298 926 ARG 86 NH2 -0.0136 -0.0510 -0.0544 927 ARG 86 H -0.0140 0.0185 -0.0739 928 ARG 86 HA -0.0148 0.0593 -0.0697 929 ARG 86 HB2 -0.0149 0.0442 -0.0633 930 ARG 86 HB3 -0.0138 0.0460 -0.0879 931 ARG 86 HG2 -0.0135 0.0145 -0.0830 932 ARG 86 HG3 -0.0132 0.0101 -0.0869 933 ARG 86 HD2 -0.0148 0.0063 -0.0499 934 ARG 86 HD3 -0.0149 0.0089 -0.0479 935 ARG 86 HE -0.0132 -0.0206 -0.0752 936 ARG 86 HH11 -0.0155 -0.0147 -0.0245 937 ARG 86 HH12 -0.0153 -0.0395 -0.0200 938 ARG 86 HH21 -0.0130 -0.0545 -0.0684 939 ARG 86 HH22 -0.0138 -0.0627 -0.0454 940 ALA 87 N 0.0034 0.0411 -0.0353 941 ALA 87 CA 0.0133 0.0449 0.0114 942 ALA 87 C 0.0282 0.0224 -0.0269 943 ALA 87 O 0.0139 0.0375 -0.0152 944 ALA 87 CB -0.0366 0.0945 0.0406 945 ALA 87 H -0.0305 0.0614 -0.0660 946 ALA 87 HA 0.0452 0.0286 0.0510 947 ALA 87 HB1 -0.0686 0.1109 0.0007 948 ALA 87 HB2 -0.0468 0.1101 0.0675 949 ALA 87 HB3 -0.0298 0.0976 0.0741 950 ALA 88 N 0.0794 0.0189 -0.0468 951 ALA 88 CA 0.0726 -0.0174 0.0062 952 ALA 88 C 0.0212 -0.0208 0.0099 953 ALA 88 O -0.0345 -0.0282 0.0193 954 ALA 88 CB 0.0590 -0.0413 0.0408 955 ALA 88 H 0.0412 0.0318 -0.0666 956 ALA 88 HA 0.1167 -0.0253 0.0187 957 ALA 88 HB1 0.0146 -0.0340 0.0290 958 ALA 88 HB2 0.0965 -0.0383 0.0372 959 ALA 88 HB3 0.0557 -0.0687 0.0807 960 GLY 89 N -0.0817 -0.0158 0.0516 961 GLY 89 CA 0.0037 -0.0467 0.0571 962 GLY 89 C -0.0218 -0.0495 0.0969 963 GLY 89 O -0.0774 -0.0181 0.0545 964 GLY 89 H -0.1428 -0.0056 0.0891 965 GLY 89 HA2 0.0404 -0.0383 -0.0158 966 GLY 89 HA3 0.0508 -0.0768 0.1051 967 MET 90 N 0.0198 0.0110 -0.0338 968 MET 90 CA 0.0236 0.0110 -0.0285 969 MET 90 C 0.0369 0.0102 -0.0500 970 MET 90 O 0.0256 0.0103 -0.0683 971 MET 90 CB -0.0011 0.0119 -0.0219 972 MET 90 CG 0.0009 0.0120 -0.0110 973 MET 90 SD 0.0147 0.0112 -0.0311 974 MET 90 CE 0.0113 0.0116 -0.0129 975 MET 90 H 0.0279 0.0109 -0.0228 976 MET 90 HA 0.0358 0.0108 -0.0128 977 MET 90 HB2 -0.0108 0.0125 -0.0086 978 MET 90 HB3 -0.0121 0.0121 -0.0385 979 MET 90 HG2 0.0120 0.0119 0.0055 980 MET 90 HG3 -0.0174 0.0128 -0.0060 981 MET 90 HE1 0.0211 0.0116 0.0043 982 MET 90 HE2 0.0188 0.0112 -0.0229 983 MET 90 HE3 -0.0080 0.0124 -0.0092 984 GLY 91 N -0.0960 -0.0045 0.0213 985 GLY 91 CA -0.0516 -0.0034 -0.0362 986 GLY 91 C -0.0084 -0.0048 -0.0024 987 GLY 91 O 0.0610 -0.0058 0.0041 988 GLY 91 H -0.0703 -0.0061 0.0661 989 GLY 91 HA2 -0.0886 -0.0018 -0.0805 990 GLY 91 HA3 -0.0118 -0.0032 -0.0597 991 SER 92 N -0.0081 -0.0122 0.0008 992 SER 92 CA -0.0013 -0.0138 0.0105 993 SER 92 C 0.0042 -0.0166 0.0174 994 SER 92 O 0.0035 -0.0096 0.0200 995 SER 92 CB -0.0018 -0.0030 0.0154 996 SER 92 OG -0.0069 -0.0006 0.0087 997 SER 92 H -0.0105 -0.0056 0.0006 998 SER 92 HA 0.0004 -0.0210 0.0092 999 SER 92 HB2 -0.0034 0.0043 0.0168 1000 SER 92 HB3 0.0034 -0.0044 0.0226 1001 SER 92 HG -0.0095 -0.0055 0.0022 1002 TYR 93 N 0.0156 -0.0109 -0.0036 1003 TYR 93 CA 0.0103 -0.0073 -0.0053 1004 TYR 93 C 0.0026 -0.0077 -0.0133 1005 TYR 93 O 0.0012 -0.0088 -0.0157 1006 TYR 93 CB 0.0084 0.0016 0.0015 1007 TYR 93 CG 0.0038 0.0058 0.0012 1008 TYR 93 CD1 0.0079 0.0053 0.0047 1009 TYR 93 CD2 -0.0046 0.0102 -0.0027 1010 TYR 93 CE1 0.0038 0.0090 0.0044 1011 TYR 93 CE2 -0.0087 0.0140 -0.0030 1012 TYR 93 CZ -0.0045 0.0134 0.0005 1013 TYR 93 OH -0.0087 0.0172 0.0002 1014 TYR 93 H 0.0140 -0.0080 -0.0024 1015 TYR 93 HA 0.0132 -0.0107 -0.0059 1016 TYR 93 HB2 0.0140 0.0017 0.0072 1017 TYR 93 HB3 0.0049 0.0050 0.0015 1018 TYR 93 HD1 0.0144 0.0018 0.0077 1019 TYR 93 HD2 -0.0079 0.0107 -0.0054 1020 TYR 93 HE1 0.0071 0.0085 0.0071 1021 TYR 93 HE2 -0.0153 0.0175 -0.0060 1022 TYR 93 HH -0.0128 0.0157 -0.0054 1023 VAL 94 N -0.0244 -0.0012 0.0102 1024 VAL 94 CA -0.0121 0.0081 0.0082 1025 VAL 94 C -0.0114 0.0108 0.0084 1026 VAL 94 O -0.0087 0.0004 0.0064 1027 VAL 94 CB 0.0025 0.0026 0.0038 1028 VAL 94 CG1 0.0056 -0.0129 0.0011 1029 VAL 94 CG2 0.0149 0.0131 0.0020 1030 VAL 94 H -0.0227 -0.0106 0.0086 1031 VAL 94 HA -0.0142 0.0187 0.0101 1032 VAL 94 HB 0.0016 0.0025 0.0041 1033 VAL 94 HG11 0.0156 -0.0162 -0.0018 1034 VAL 94 HG12 0.0061 -0.0133 0.0009 1035 VAL 94 HG13 -0.0029 -0.0203 0.0024 1036 VAL 94 HG21 0.0157 0.0139 0.0019 1037 VAL 94 HG22 0.0247 0.0091 -0.0011 1038 VAL 94 HG23 0.0130 0.0238 0.0038