1 ASP 28 N 0.0019 -0.0050 0.0014 2 ASP 28 CA 0.0006 -0.0057 0.0005 3 ASP 28 C 0.0026 -0.0045 -0.0004 4 ASP 28 O 0.0042 -0.0035 -0.0021 5 ASP 28 CB -0.0013 -0.0067 -0.0019 6 ASP 28 CG -0.0027 -0.0074 -0.0029 7 ASP 28 OD1 -0.0042 -0.0084 -0.0012 8 ASP 28 OD2 -0.0025 -0.0072 -0.0054 9 ASP 28 H 0.0006 -0.0058 0.0020 10 ASP 28 HA -0.0003 -0.0064 0.0024 11 ASP 28 HB2 -0.0027 -0.0075 -0.0012 12 ASP 28 HB3 -0.0003 -0.0060 -0.0038 13 PRO 29 N -0.0075 -0.0116 0.0138 14 PRO 29 CA -0.0032 -0.0095 0.0124 15 PRO 29 C 0.0080 -0.0209 0.0194 16 PRO 29 O 0.0202 -0.0245 0.0215 17 PRO 29 CB 0.0058 0.0044 0.0035 18 PRO 29 CG 0.0015 0.0113 -0.0007 19 PRO 29 CD -0.0017 -0.0001 0.0064 20 PRO 29 HA -0.0141 -0.0088 0.0121 21 PRO 29 HB2 0.0187 0.0023 0.0047 22 PRO 29 HB3 0.0017 0.0104 -0.0002 23 PRO 29 HG2 0.0117 0.0175 -0.0048 24 PRO 29 HG3 -0.0093 0.0177 -0.0046 25 PRO 29 HD2 0.0093 -0.0029 0.0080 26 PRO 29 HD3 -0.0112 0.0033 0.0045 27 ASN 30 N 0.0049 -0.0045 -0.0028 28 ASN 30 CA 0.0046 -0.0042 -0.0026 29 ASN 30 C 0.0014 0.0013 -0.0090 30 ASN 30 O -0.0035 0.0066 -0.0071 31 ASN 30 CB 0.0022 -0.0037 0.0063 32 ASN 30 CG 0.0015 -0.0032 0.0073 33 ASN 30 OD1 0.0053 -0.0081 0.0088 34 ASN 30 ND2 -0.0032 0.0027 0.0068 35 ASN 30 H 0.0085 -0.0087 -0.0032 36 ASN 30 HA 0.0088 -0.0087 -0.0043 37 ASN 30 HB2 0.0049 -0.0080 0.0103 38 ASN 30 HB3 -0.0017 0.0005 0.0079 39 ASN 30 HD21 -0.0062 0.0064 0.0057 40 ASN 30 HD22 -0.0037 0.0031 0.0073 41 ALA 31 N 0.0013 0.0076 -0.0153 42 ALA 31 CA 0.0007 0.0080 -0.0165 43 ALA 31 C 0.0004 0.0057 -0.0186 44 ALA 31 O -0.0005 0.0058 -0.0208 45 ALA 31 CB -0.0003 0.0107 -0.0177 46 ALA 31 H 0.0013 0.0063 -0.0161 47 ALA 31 HA 0.0013 0.0080 -0.0151 48 ALA 31 HB1 -0.0007 0.0110 -0.0186 49 ALA 31 HB2 -0.0009 0.0108 -0.0192 50 ALA 31 HB3 -0.0001 0.0123 -0.0163 51 GLU 32 N -0.0019 0.0039 -0.0086 52 GLU 32 CA -0.0055 0.0040 -0.0041 53 GLU 32 C -0.0038 -0.0004 0.0001 54 GLU 32 O -0.0064 -0.0012 0.0044 55 GLU 32 CB -0.0073 0.0061 -0.0049 56 GLU 32 CG -0.0038 0.0040 -0.0063 57 GLU 32 CD -0.0059 0.0062 -0.0068 58 GLU 32 OE1 -0.0076 0.0051 -0.0031 59 GLU 32 OE2 -0.0058 0.0090 -0.0110 60 GLU 32 H -0.0003 0.0041 -0.0110 61 GLU 32 HA -0.0081 0.0058 -0.0034 62 GLU 32 HB2 -0.0100 0.0062 -0.0016 63 GLU 32 HB3 -0.0085 0.0092 -0.0079 64 GLU 32 HG2 -0.0011 0.0040 -0.0097 65 GLU 32 HG3 -0.0025 0.0008 -0.0034 66 PHE 33 N -0.0043 -0.0012 -0.0009 67 PHE 33 CA -0.0027 -0.0035 0.0010 68 PHE 33 C -0.0020 -0.0027 0.0001 69 PHE 33 O -0.0022 -0.0001 -0.0021 70 PHE 33 CB 0.0010 -0.0047 0.0016 71 PHE 33 CG 0.0037 -0.0025 -0.0007 72 PHE 33 CD1 0.0061 -0.0018 -0.0016 73 PHE 33 CD2 0.0039 -0.0012 -0.0019 74 PHE 33 CE1 0.0086 0.0002 -0.0037 75 PHE 33 CE2 0.0063 0.0009 -0.0041 76 PHE 33 CZ 0.0087 0.0015 -0.0049 77 PHE 33 H -0.0027 0.0003 -0.0024 78 PHE 33 HA -0.0047 -0.0052 0.0027 79 PHE 33 HB2 0.0023 -0.0063 0.0029 80 PHE 33 HB3 0.0003 -0.0056 0.0025 81 PHE 33 HD1 0.0061 -0.0029 -0.0007 82 PHE 33 HD2 0.0020 -0.0017 -0.0012 83 PHE 33 HE1 0.0105 0.0007 -0.0044 84 PHE 33 HE2 0.0064 0.0019 -0.0050 85 PHE 33 HZ 0.0107 0.0031 -0.0066 86 ASP 34 N -0.0016 -0.0093 0.0046 87 ASP 34 CA -0.0006 -0.0080 0.0036 88 ASP 34 C 0.0012 -0.0071 0.0047 89 ASP 34 O 0.0017 -0.0076 0.0064 90 ASP 34 CB -0.0009 -0.0082 0.0035 91 ASP 34 CG -0.0001 -0.0069 0.0023 92 ASP 34 OD1 0.0014 -0.0061 0.0029 93 ASP 34 OD2 -0.0009 -0.0067 0.0007 94 ASP 34 H -0.0017 -0.0099 0.0057 95 ASP 34 HA -0.0008 -0.0075 0.0023 96 ASP 34 HB2 -0.0022 -0.0089 0.0029 97 ASP 34 HB3 -0.0006 -0.0086 0.0049 98 PRO 35 N 0.0030 -0.0001 -0.0025 99 PRO 35 CA 0.0075 0.0017 -0.0007 100 PRO 35 C 0.0092 0.0023 0.0001 101 PRO 35 O 0.0129 0.0039 0.0015 102 PRO 35 CB 0.0086 0.0054 -0.0034 103 PRO 35 CG 0.0052 0.0064 -0.0071 104 PRO 35 CD 0.0014 0.0027 -0.0066 105 PRO 35 HA 0.0088 0.0002 0.0019 106 PRO 35 HB2 0.0116 0.0075 -0.0031 107 PRO 35 HB3 0.0088 0.0051 -0.0030 108 PRO 35 HG2 0.0058 0.0077 -0.0080 109 PRO 35 HG3 0.0049 0.0082 -0.0091 110 PRO 35 HD2 -0.0005 0.0027 -0.0081 111 PRO 35 HD3 -0.0003 0.0022 -0.0075 112 ASP 36 N -0.0008 -0.0089 0.0057 113 ASP 36 CA 0.0020 -0.0024 0.0048 114 ASP 36 C 0.0015 0.0019 0.0064 115 ASP 36 O 0.0014 0.0078 0.0080 116 ASP 36 CB 0.0073 -0.0025 -0.0004 117 ASP 36 CG 0.0104 0.0042 -0.0016 118 ASP 36 OD1 0.0101 0.0072 -0.0005 119 ASP 36 OD2 0.0132 0.0066 -0.0037 120 ASP 36 H 0.0006 -0.0119 0.0036 121 ASP 36 HA 0.0005 -0.0003 0.0068 122 ASP 36 HB2 0.0076 -0.0053 -0.0013 123 ASP 36 HB3 0.0088 -0.0049 -0.0024 124 LEU 37 N -0.0011 -0.0005 0.0073 125 LEU 37 CA -0.0010 -0.0001 0.0071 126 LEU 37 C -0.0020 -0.0003 0.0091 127 LEU 37 O -0.0025 -0.0019 0.0102 128 LEU 37 CB -0.0001 -0.0016 0.0056 129 LEU 37 CG 0.0010 -0.0011 0.0034 130 LEU 37 CD1 0.0011 0.0012 0.0028 131 LEU 37 CD2 0.0013 -0.0015 0.0029 132 LEU 37 H -0.0009 -0.0020 0.0072 133 LEU 37 HA -0.0009 0.0016 0.0066 134 LEU 37 HB2 -0.0002 -0.0032 0.0059 135 LEU 37 HB3 -0.0003 -0.0015 0.0058 136 LEU 37 HG 0.0015 -0.0022 0.0026 137 LEU 37 HD11 0.0019 0.0015 0.0013 138 LEU 37 HD12 0.0006 0.0024 0.0036 139 LEU 37 HD13 0.0010 0.0014 0.0031 140 LEU 37 HD21 0.0020 -0.0011 0.0013 141 LEU 37 HD22 0.0012 -0.0031 0.0032 142 LEU 37 HD23 0.0008 -0.0004 0.0037 143 PRO 38 N -0.0056 0.0038 0.0083 144 PRO 38 CA -0.0071 0.0042 0.0095 145 PRO 38 C -0.0050 0.0021 0.0093 146 PRO 38 O -0.0026 0.0019 0.0070 147 PRO 38 CB -0.0081 0.0076 0.0074 148 PRO 38 CG -0.0082 0.0091 0.0060 149 PRO 38 CD -0.0057 0.0067 0.0058 150 PRO 38 HA -0.0089 0.0039 0.0117 151 PRO 38 HB2 -0.0066 0.0077 0.0057 152 PRO 38 HB3 -0.0103 0.0086 0.0087 153 PRO 38 HG2 -0.0078 0.0110 0.0038 154 PRO 38 HG3 -0.0102 0.0099 0.0074 155 PRO 38 HD2 -0.0037 0.0066 0.0037 156 PRO 38 HD3 -0.0063 0.0070 0.0060 157 GLY 39 N -0.0045 0.0022 0.0093 158 GLY 39 CA -0.0028 0.0006 0.0094 159 GLY 39 C -0.0012 -0.0012 0.0097 160 GLY 39 O 0.0006 -0.0025 0.0090 161 GLY 39 H -0.0057 0.0026 0.0108 162 GLY 39 HA2 -0.0033 0.0002 0.0109 163 GLY 39 HA3 -0.0022 0.0009 0.0077 164 GLY 40 N -0.0003 -0.0065 0.0112 165 GLY 40 CA -0.0004 -0.0074 0.0101 166 GLY 40 C -0.0002 -0.0076 0.0086 167 GLY 40 O -0.0002 -0.0085 0.0075 168 GLY 40 H -0.0001 -0.0054 0.0115 169 GLY 40 HA2 -0.0002 -0.0068 0.0098 170 GLY 40 HA3 -0.0007 -0.0085 0.0105 171 GLY 41 N -0.0008 -0.0025 0.0074 172 GLY 41 CA 0.0002 -0.0024 0.0060 173 GLY 41 C 0.0013 -0.0032 0.0056 174 GLY 41 O 0.0023 -0.0033 0.0045 175 GLY 41 H -0.0016 -0.0017 0.0076 176 GLY 41 HA2 -0.0001 -0.0013 0.0053 177 GLY 41 HA3 0.0006 -0.0027 0.0059 178 LEU 42 N 0.0004 -0.0031 0.0067 179 LEU 42 CA 0.0009 -0.0040 0.0066 180 LEU 42 C 0.0007 -0.0023 0.0062 181 LEU 42 O 0.0013 -0.0027 0.0059 182 LEU 42 CB -0.0002 -0.0056 0.0080 183 LEU 42 CG -0.0001 -0.0074 0.0087 184 LEU 42 CD1 -0.0013 -0.0088 0.0101 185 LEU 42 CD2 0.0019 -0.0086 0.0078 186 LEU 42 H -0.0009 -0.0030 0.0075 187 LEU 42 HA 0.0024 -0.0048 0.0060 188 LEU 42 HB2 -0.0016 -0.0048 0.0087 189 LEU 42 HB3 0.0002 -0.0062 0.0080 190 LEU 42 HG -0.0006 -0.0068 0.0088 191 LEU 42 HD11 -0.0012 -0.0101 0.0105 192 LEU 42 HD12 -0.0009 -0.0094 0.0100 193 LEU 42 HD13 -0.0027 -0.0080 0.0107 194 LEU 42 HD21 0.0024 -0.0092 0.0076 195 LEU 42 HD22 0.0019 -0.0099 0.0083 196 LEU 42 HD23 0.0027 -0.0076 0.0068 197 HIS 43 N 0.0003 0.0013 0.0018 198 HIS 43 CA 0.0003 0.0020 0.0002 199 HIS 43 C -0.0002 0.0018 -0.0000 200 HIS 43 O -0.0015 0.0011 -0.0002 201 HIS 43 CB -0.0007 0.0019 -0.0009 202 HIS 43 CG -0.0004 0.0020 -0.0007 203 HIS 43 ND1 0.0006 0.0029 -0.0013 204 HIS 43 CD2 -0.0010 0.0013 0.0000 205 HIS 43 CE1 0.0006 0.0027 -0.0009 206 HIS 43 NE2 -0.0004 0.0018 -0.0001 207 HIS 43 H -0.0005 0.0007 0.0022 208 HIS 43 HA 0.0013 0.0028 -0.0000 209 HIS 43 HB2 -0.0018 0.0013 -0.0009 210 HIS 43 HB3 -0.0006 0.0025 -0.0020 211 HIS 43 HD1 0.0012 0.0035 -0.0018 212 HIS 43 HD2 -0.0019 0.0005 0.0006 213 HIS 43 HE1 0.0012 0.0033 -0.0013 214 HIS 43 HE2 -0.0005 0.0015 0.0004 215 ARG 44 N -0.0009 0.0017 -0.0039 216 ARG 44 CA -0.0009 0.0024 -0.0048 217 ARG 44 C -0.0000 0.0036 -0.0063 218 ARG 44 O 0.0011 0.0036 -0.0065 219 ARG 44 CB 0.0005 0.0018 -0.0043 220 ARG 44 CG 0.0003 0.0005 -0.0028 221 ARG 44 CD 0.0018 -0.0001 -0.0024 222 ARG 44 NE 0.0018 -0.0014 -0.0009 223 ARG 44 CZ 0.0029 -0.0020 -0.0004 224 ARG 44 NH1 0.0041 -0.0015 -0.0012 225 ARG 44 NH2 0.0028 -0.0032 0.0010 226 ARG 44 H 0.0002 0.0015 -0.0039 227 ARG 44 HA -0.0022 0.0026 -0.0048 228 ARG 44 HB2 0.0018 0.0019 -0.0047 229 ARG 44 HB3 0.0002 0.0023 -0.0049 230 ARG 44 HG2 -0.0010 0.0004 -0.0025 231 ARG 44 HG3 0.0004 -0.0000 -0.0022 232 ARG 44 HD2 0.0031 0.0001 -0.0028 233 ARG 44 HD3 0.0016 0.0004 -0.0030 234 ARG 44 HE 0.0010 -0.0018 -0.0003 235 ARG 44 HH11 0.0042 -0.0006 -0.0023 236 ARG 44 HH12 0.0050 -0.0019 -0.0009 237 ARG 44 HH21 0.0020 -0.0037 0.0017 238 ARG 44 HH22 0.0036 -0.0037 0.0014 239 CYS 45 N -0.0006 0.0014 -0.0079 240 CYS 45 CA -0.0010 0.0008 -0.0075 241 CYS 45 C -0.0016 0.0009 -0.0077 242 CYS 45 O -0.0014 0.0011 -0.0078 243 CYS 45 CB -0.0005 0.0003 -0.0071 244 CYS 45 SG -0.0010 -0.0005 -0.0067 245 CYS 45 H -0.0002 0.0016 -0.0079 246 CYS 45 HA -0.0013 0.0006 -0.0075 247 CYS 45 HB2 -0.0001 0.0002 -0.0070 248 CYS 45 HB3 -0.0002 0.0004 -0.0072 249 LEU 46 N -0.0004 0.0020 -0.0088 250 LEU 46 CA -0.0032 0.0022 -0.0027 251 LEU 46 C -0.0067 -0.0028 -0.0026 252 LEU 46 O -0.0103 -0.0052 0.0016 253 LEU 46 CB -0.0009 0.0076 -0.0002 254 LEU 46 CG 0.0024 0.0129 0.0002 255 LEU 46 CD1 0.0048 0.0180 0.0023 256 LEU 46 CD2 0.0005 0.0131 0.0043 257 LEU 46 H 0.0025 0.0048 -0.0107 258 LEU 46 HA -0.0047 0.0021 -0.0000 259 LEU 46 HB2 0.0006 0.0077 -0.0030 260 LEU 46 HB3 -0.0031 0.0077 0.0042 261 LEU 46 HG 0.0045 0.0127 -0.0042 262 LEU 46 HD11 0.0064 0.0180 -0.0009 263 LEU 46 HD12 0.0070 0.0217 0.0027 264 LEU 46 HD13 0.0026 0.0180 0.0066 265 LEU 46 HD21 -0.0009 0.0097 0.0026 266 LEU 46 HD22 -0.0018 0.0130 0.0087 267 LEU 46 HD23 0.0029 0.0170 0.0046 268 ALA 47 N -0.0044 -0.0032 -0.0058 269 ALA 47 CA -0.0039 -0.0023 -0.0058 270 ALA 47 C -0.0032 -0.0008 -0.0056 271 ALA 47 O -0.0026 0.0002 -0.0059 272 ALA 47 CB -0.0043 -0.0027 -0.0046 273 ALA 47 H -0.0048 -0.0039 -0.0050 274 ALA 47 HA -0.0039 -0.0024 -0.0069 275 ALA 47 HB1 -0.0040 -0.0020 -0.0046 276 ALA 47 HB2 -0.0043 -0.0025 -0.0034 277 ALA 47 HB3 -0.0048 -0.0038 -0.0048 278 CYS 48 N -0.0040 -0.0005 -0.0046 279 CYS 48 CA -0.0037 -0.0007 -0.0047 280 CYS 48 C -0.0039 0.0003 -0.0047 281 CYS 48 O -0.0038 0.0002 -0.0047 282 CYS 48 CB -0.0026 -0.0011 -0.0050 283 CYS 48 SG -0.0025 -0.0023 -0.0049 284 CYS 48 H -0.0036 -0.0000 -0.0048 285 CYS 48 HA -0.0042 -0.0012 -0.0046 286 CYS 48 HB2 -0.0020 -0.0007 -0.0051 287 CYS 48 HB3 -0.0024 -0.0012 -0.0050 288 ALA 49 N -0.0047 -0.0005 -0.0057 289 ALA 49 CA -0.0052 0.0014 -0.0051 290 ALA 49 C -0.0039 0.0018 -0.0054 291 ALA 49 O -0.0043 0.0029 -0.0049 292 ALA 49 CB -0.0073 0.0012 -0.0045 293 ALA 49 H -0.0043 -0.0004 -0.0058 294 ALA 49 HA -0.0050 0.0025 -0.0048 295 ALA 49 HB1 -0.0075 0.0000 -0.0047 296 ALA 49 HB2 -0.0082 0.0009 -0.0043 297 ALA 49 HB3 -0.0077 0.0025 -0.0040 298 ARG 50 N -0.0073 0.0029 -0.0057 299 ARG 50 CA -0.0035 0.0043 -0.0055 300 ARG 50 C -0.0002 0.0068 -0.0053 301 ARG 50 O 0.0007 0.0058 -0.0054 302 ARG 50 CB -0.0013 0.0003 -0.0059 303 ARG 50 CG -0.0043 -0.0023 -0.0062 304 ARG 50 CD -0.0018 -0.0062 -0.0066 305 ARG 50 NE -0.0048 -0.0089 -0.0069 306 ARG 50 CZ -0.0035 -0.0127 -0.0073 307 ARG 50 NH1 0.0007 -0.0143 -0.0074 308 ARG 50 NH2 -0.0064 -0.0149 -0.0075 309 ARG 50 H -0.0069 0.0005 -0.0059 310 ARG 50 HA -0.0048 0.0065 -0.0053 311 ARG 50 HB2 -0.0000 -0.0020 -0.0062 312 ARG 50 HB3 0.0016 0.0015 -0.0058 313 ARG 50 HG2 -0.0055 -0.0001 -0.0060 314 ARG 50 HG3 -0.0072 -0.0036 -0.0064 315 ARG 50 HD2 -0.0006 -0.0084 -0.0068 316 ARG 50 HD3 0.0010 -0.0049 -0.0065 317 ARG 50 HE -0.0078 -0.0076 -0.0068 318 ARG 50 HH11 0.0030 -0.0127 -0.0072 319 ARG 50 HH12 0.0018 -0.0171 -0.0077 320 ARG 50 HH21 -0.0096 -0.0138 -0.0074 321 ARG 50 HH22 -0.0056 -0.0178 -0.0078 322 TYR 51 N -0.0027 0.0044 -0.0041 323 TYR 51 CA -0.0020 0.0036 -0.0021 324 TYR 51 C -0.0029 0.0040 -0.0015 325 TYR 51 O -0.0046 0.0050 -0.0014 326 TYR 51 CB -0.0025 0.0036 -0.0004 327 TYR 51 CG -0.0018 0.0033 -0.0011 328 TYR 51 CD1 -0.0029 0.0042 -0.0022 329 TYR 51 CD2 -0.0001 0.0022 -0.0006 330 TYR 51 CE1 -0.0023 0.0039 -0.0027 331 TYR 51 CE2 0.0006 0.0019 -0.0011 332 TYR 51 CZ -0.0006 0.0028 -0.0022 333 TYR 51 OH 0.0001 0.0026 -0.0028 334 TYR 51 H -0.0040 0.0052 -0.0039 335 TYR 51 HA -0.0004 0.0028 -0.0024 336 TYR 51 HB2 -0.0041 0.0044 -0.0002 337 TYR 51 HB3 -0.0020 0.0029 0.0010 338 TYR 51 HD1 -0.0043 0.0051 -0.0026 339 TYR 51 HD2 0.0008 0.0015 0.0003 340 TYR 51 HE1 -0.0032 0.0046 -0.0036 341 TYR 51 HE2 0.0019 0.0010 -0.0007 342 TYR 51 HH -0.0010 0.0031 -0.0025 343 PHE 52 N 0.0002 0.0009 -0.0031 344 PHE 52 CA 0.0005 0.0009 -0.0031 345 PHE 52 C 0.0008 0.0011 -0.0028 346 PHE 52 O 0.0010 0.0013 -0.0026 347 PHE 52 CB 0.0008 0.0005 -0.0035 348 PHE 52 CG 0.0005 0.0002 -0.0039 349 PHE 52 CD1 0.0003 0.0001 -0.0039 350 PHE 52 CD2 0.0004 -0.0000 -0.0041 351 PHE 52 CE1 0.0000 -0.0002 -0.0043 352 PHE 52 CE2 0.0001 -0.0003 -0.0045 353 PHE 52 CZ -0.0001 -0.0004 -0.0046 354 PHE 52 H 0.0004 0.0009 -0.0030 355 PHE 52 HA 0.0002 0.0008 -0.0032 356 PHE 52 HB2 0.0011 0.0005 -0.0034 357 PHE 52 HB3 0.0010 0.0004 -0.0035 358 PHE 52 HD1 0.0004 0.0003 -0.0037 359 PHE 52 HD2 0.0005 0.0000 -0.0040 360 PHE 52 HE1 -0.0001 -0.0002 -0.0044 361 PHE 52 HE2 -0.0000 -0.0005 -0.0047 362 PHE 52 HZ -0.0003 -0.0006 -0.0048 363 ILE 53 N -0.0052 0.0019 -0.0008 364 ILE 53 CA -0.0036 0.0029 0.0025 365 ILE 53 C 0.0009 0.0025 0.0026 366 ILE 53 O 0.0028 0.0034 0.0056 367 ILE 53 CB -0.0054 0.0032 0.0028 368 ILE 53 CG1 -0.0046 0.0019 -0.0008 369 ILE 53 CG2 -0.0099 0.0039 0.0035 370 ILE 53 CD1 -0.0062 0.0021 -0.0007 371 ILE 53 H -0.0070 0.0015 -0.0025 372 ILE 53 HA -0.0045 0.0039 0.0049 373 ILE 53 HB -0.0040 0.0039 0.0051 374 ILE 53 HG12 -0.0060 0.0012 -0.0032 375 ILE 53 HG13 -0.0015 0.0014 -0.0012 376 ILE 53 HG21 -0.0114 0.0033 0.0013 377 ILE 53 HG22 -0.0103 0.0049 0.0062 378 ILE 53 HG23 -0.0111 0.0041 0.0037 379 ILE 53 HD11 -0.0047 0.0027 0.0016 380 ILE 53 HD12 -0.0056 0.0011 -0.0034 381 ILE 53 HD13 -0.0094 0.0025 -0.0004 382 ASP 54 N 0.0023 0.0013 -0.0050 383 ASP 54 CA 0.0041 0.0040 -0.0065 384 ASP 54 C 0.0031 0.0032 -0.0055 385 ASP 54 O 0.0017 -0.0002 -0.0045 386 ASP 54 CB 0.0074 0.0031 -0.0100 387 ASP 54 CG 0.0094 0.0059 -0.0118 388 ASP 54 OD1 0.0103 0.0095 -0.0122 389 ASP 54 OD2 0.0102 0.0046 -0.0128 390 ASP 54 H 0.0014 -0.0015 -0.0044 391 ASP 54 HA 0.0040 0.0072 -0.0058 392 ASP 54 HB2 0.0080 0.0035 -0.0106 393 ASP 54 HB3 0.0075 -0.0001 -0.0107 394 SER 55 N 0.0000 0.0039 -0.0098 395 SER 55 CA -0.0029 0.0031 -0.0067 396 SER 55 C -0.0010 0.0001 -0.0047 397 SER 55 O -0.0024 -0.0018 -0.0015 398 SER 55 CB -0.0058 0.0060 -0.0079 399 SER 55 OG -0.0087 0.0054 -0.0051 400 SER 55 H -0.0000 0.0060 -0.0121 401 SER 55 HA -0.0046 0.0026 -0.0050 402 SER 55 HB2 -0.0074 0.0080 -0.0090 403 SER 55 HB3 -0.0043 0.0068 -0.0099 404 SER 55 HG -0.0078 0.0045 -0.0048 405 THR 56 N 0.0001 0.0014 -0.0071 406 THR 56 CA 0.0030 -0.0023 -0.0047 407 THR 56 C 0.0050 -0.0061 -0.0016 408 THR 56 O 0.0046 -0.0094 0.0023 409 THR 56 CB 0.0076 -0.0018 -0.0081 410 THR 56 OG1 0.0058 0.0020 -0.0113 411 THR 56 CG2 0.0103 -0.0054 -0.0057 412 THR 56 H 0.0016 0.0035 -0.0104 413 THR 56 HA 0.0003 -0.0026 -0.0026 414 THR 56 HB 0.0104 -0.0019 -0.0097 415 THR 56 HG1 0.0056 0.0041 -0.0135 416 THR 56 HG21 0.0136 -0.0050 -0.0081 417 THR 56 HG22 0.0074 -0.0054 -0.0039 418 THR 56 HG23 0.0117 -0.0083 -0.0033 419 ASN 57 N 0.0044 -0.0019 -0.0069 420 ASN 57 CA 0.0049 -0.0055 -0.0047 421 ASN 57 C 0.0026 -0.0056 -0.0006 422 ASN 57 O 0.0027 -0.0084 0.0016 423 ASN 57 CB 0.0061 -0.0067 -0.0058 424 ASN 57 CG 0.0089 -0.0085 -0.0092 425 ASN 57 OD1 0.0104 -0.0119 -0.0088 426 ASN 57 ND2 0.0096 -0.0062 -0.0125 427 ASN 57 H 0.0045 -0.0004 -0.0084 428 ASN 57 HA 0.0062 -0.0076 -0.0053 429 ASN 57 HB2 0.0052 -0.0041 -0.0065 430 ASN 57 HB3 0.0057 -0.0086 -0.0035 431 ASN 57 HD21 0.0084 -0.0034 -0.0128 432 ASN 57 HD22 0.0114 -0.0074 -0.0147 433 LEU 58 N 0.0018 -0.0020 -0.0012 434 LEU 58 CA 0.0007 -0.0022 -0.0010 435 LEU 58 C -0.0004 -0.0030 0.0009 436 LEU 58 O -0.0002 -0.0032 0.0021 437 LEU 58 CB -0.0006 -0.0021 -0.0029 438 LEU 58 CG -0.0021 -0.0024 -0.0030 439 LEU 58 CD1 -0.0040 -0.0031 -0.0020 440 LEU 58 CD2 -0.0012 -0.0024 -0.0022 441 LEU 58 H 0.0014 -0.0018 -0.0022 442 LEU 58 HA 0.0018 -0.0020 -0.0009 443 LEU 58 HB2 0.0003 -0.0016 -0.0042 444 LEU 58 HB3 -0.0014 -0.0022 -0.0032 445 LEU 58 HG -0.0027 -0.0022 -0.0045 446 LEU 58 HD11 -0.0050 -0.0033 -0.0020 447 LEU 58 HD12 -0.0036 -0.0034 -0.0004 448 LEU 58 HD13 -0.0047 -0.0031 -0.0027 449 LEU 58 HD21 -0.0008 -0.0027 -0.0006 450 LEU 58 HD22 -0.0023 -0.0026 -0.0023 451 LEU 58 HD23 0.0001 -0.0019 -0.0030 452 LYS 59 N -0.0012 -0.0065 0.0038 453 LYS 59 CA -0.0035 -0.0074 0.0075 454 LYS 59 C -0.0014 -0.0055 0.0117 455 LYS 59 O -0.0019 -0.0055 0.0141 456 LYS 59 CB -0.0073 -0.0097 0.0084 457 LYS 59 CG -0.0071 -0.0094 0.0098 458 LYS 59 CD -0.0109 -0.0118 0.0102 459 LYS 59 CE -0.0135 -0.0129 0.0139 460 LYS 59 NZ -0.0122 -0.0114 0.0182 461 LYS 59 H -0.0019 -0.0071 0.0023 462 LYS 59 HA -0.0040 -0.0079 0.0065 463 LYS 59 HB2 -0.0089 -0.0104 0.0109 464 LYS 59 HB3 -0.0087 -0.0110 0.0054 465 LYS 59 HG2 -0.0053 -0.0086 0.0073 466 LYS 59 HG3 -0.0059 -0.0082 0.0129 467 LYS 59 HD2 -0.0122 -0.0130 0.0071 468 LYS 59 HD3 -0.0106 -0.0115 0.0108 469 LYS 59 HE2 -0.0138 -0.0131 0.0133 470 LYS 59 HE3 -0.0162 -0.0146 0.0138 471 LYS 59 HZ1 -0.0121 -0.0113 0.0189 472 LYS 59 HZ2 -0.0140 -0.0123 0.0206 473 LYS 59 HZ3 -0.0095 -0.0097 0.0186 474 THR 60 N 0.0006 -0.0065 0.0121 475 THR 60 CA 0.0008 -0.0077 0.0117 476 THR 60 C 0.0023 -0.0091 0.0147 477 THR 60 O 0.0025 -0.0090 0.0155 478 THR 60 CB 0.0006 -0.0102 0.0089 479 THR 60 OG1 -0.0008 -0.0088 0.0062 480 THR 60 CG2 0.0008 -0.0115 0.0085 481 THR 60 H 0.0004 -0.0075 0.0108 482 THR 60 HA 0.0001 -0.0058 0.0113 483 THR 60 HB 0.0013 -0.0120 0.0094 484 THR 60 HG1 -0.0009 -0.0085 0.0063 485 THR 60 HG21 0.0006 -0.0132 0.0065 486 THR 60 HG22 0.0001 -0.0096 0.0081 487 THR 60 HG23 0.0018 -0.0125 0.0105 488 HIS 61 N 0.0041 -0.0043 0.0091 489 HIS 61 CA 0.0047 -0.0034 0.0077 490 HIS 61 C 0.0029 -0.0052 0.0083 491 HIS 61 O 0.0036 -0.0047 0.0086 492 HIS 61 CB 0.0049 -0.0022 0.0040 493 HIS 61 CG 0.0046 -0.0019 0.0022 494 HIS 61 ND1 0.0064 -0.0003 0.0025 495 HIS 61 CD2 0.0025 -0.0031 0.0001 496 HIS 61 CE1 0.0055 -0.0006 0.0007 497 HIS 61 NE2 0.0032 -0.0022 -0.0008 498 HIS 61 H 0.0036 -0.0043 0.0075 499 HIS 61 HA 0.0066 -0.0021 0.0091 500 HIS 61 HB2 0.0067 -0.0005 0.0038 501 HIS 61 HB3 0.0034 -0.0032 0.0029 502 HIS 61 HD1 0.0081 0.0008 0.0039 503 HIS 61 HD2 0.0008 -0.0044 -0.0008 504 HIS 61 HE1 0.0062 0.0001 0.0003 505 PHE 62 N 0.0030 0.0022 0.0108 506 PHE 62 CA 0.0017 0.0010 0.0113 507 PHE 62 C 0.0017 0.0007 0.0143 508 PHE 62 O 0.0006 -0.0003 0.0151 509 PHE 62 CB -0.0006 -0.0007 0.0101 510 PHE 62 CG -0.0009 -0.0006 0.0072 511 PHE 62 CD1 0.0001 0.0004 0.0051 512 PHE 62 CD2 -0.0021 -0.0015 0.0065 513 PHE 62 CE1 -0.0002 0.0005 0.0025 514 PHE 62 CE2 -0.0023 -0.0014 0.0038 515 PHE 62 CZ -0.0014 -0.0004 0.0018 516 PHE 62 H 0.0023 0.0016 0.0106 517 PHE 62 HA 0.0024 0.0018 0.0103 518 PHE 62 HB2 -0.0015 -0.0016 0.0113 519 PHE 62 HB3 -0.0012 -0.0012 0.0101 520 PHE 62 HD1 0.0010 0.0011 0.0057 521 PHE 62 HD2 -0.0028 -0.0023 0.0080 522 PHE 62 HE1 0.0006 0.0014 0.0009 523 PHE 62 HE2 -0.0033 -0.0021 0.0033 524 PHE 62 HZ -0.0016 -0.0003 -0.0003 525 ARG 63 N 0.0139 -0.0016 0.0285 526 ARG 63 CA 0.0101 0.0047 0.0189 527 ARG 63 C 0.0103 0.0043 0.0195 528 ARG 63 O 0.0070 0.0087 0.0119 529 ARG 63 CB 0.0012 0.0012 0.0100 530 ARG 63 CG 0.0011 0.0038 0.0079 531 ARG 63 CD -0.0078 0.0000 -0.0008 532 ARG 63 NE -0.0122 0.0051 -0.0102 533 ARG 63 CZ -0.0195 0.0047 -0.0194 534 ARG 63 NH1 -0.0233 -0.0001 -0.0207 535 ARG 63 NH2 -0.0230 0.0091 -0.0272 536 ARG 63 H 0.0103 -0.0089 0.0292 537 ARG 63 HA 0.0142 0.0134 0.0177 538 ARG 63 HB2 -0.0025 -0.0077 0.0117 539 ARG 63 HB3 -0.0015 0.0055 0.0033 540 ARG 63 HG2 0.0048 0.0128 0.0060 541 ARG 63 HG3 0.0040 -0.0003 0.0147 542 ARG 63 HD2 -0.0075 0.0024 -0.0022 543 ARG 63 HD3 -0.0114 -0.0089 0.0012 544 ARG 63 HE -0.0094 0.0089 -0.0094 545 ARG 63 HH11 -0.0207 -0.0034 -0.0150 546 ARG 63 HH12 -0.0288 -0.0005 -0.0276 547 ARG 63 HH21 -0.0203 0.0129 -0.0264 548 ARG 63 HH22 -0.0286 0.0090 -0.0343 549 SER 64 N 0.0149 0.0047 0.0200 550 SER 64 CA 0.0134 0.0039 0.0190 551 SER 64 C 0.0108 0.0004 0.0178 552 SER 64 O 0.0084 0.0007 0.0158 553 SER 64 CB 0.0118 0.0075 0.0169 554 SER 64 OG 0.0139 0.0111 0.0177 555 SER 64 H 0.0142 0.0067 0.0190 556 SER 64 HA 0.0150 0.0033 0.0204 557 SER 64 HB2 0.0098 0.0076 0.0153 558 SER 64 HB3 0.0109 0.0071 0.0163 559 SER 64 HG 0.0154 0.0112 0.0189 560 LYS 65 N 0.0208 -0.0069 0.0040 561 LYS 65 CA 0.0180 -0.0092 0.0045 562 LYS 65 C 0.0027 -0.0119 0.0110 563 LYS 65 O -0.0014 -0.0077 0.0148 564 LYS 65 CB 0.0260 -0.0204 -0.0042 565 LYS 65 CG 0.0248 -0.0350 -0.0095 566 LYS 65 CD 0.0104 -0.0436 -0.0057 567 LYS 65 CE 0.0098 -0.0577 -0.0112 568 LYS 65 NZ -0.0042 -0.0660 -0.0075 569 LYS 65 H 0.0259 -0.0132 -0.0012 570 LYS 65 HA 0.0219 0.0010 0.0066 571 LYS 65 HB2 0.0224 -0.0225 -0.0032 572 LYS 65 HB3 0.0367 -0.0158 -0.0077 573 LYS 65 HG2 0.0315 -0.0411 -0.0154 574 LYS 65 HG3 0.0281 -0.0332 -0.0104 575 LYS 65 HD2 0.0034 -0.0376 0.0002 576 LYS 65 HD3 0.0074 -0.0456 -0.0050 577 LYS 65 HE2 0.0163 -0.0639 -0.0170 578 LYS 65 HE3 0.0137 -0.0557 -0.0123 579 LYS 65 HZ1 -0.0084 -0.0681 -0.0063 580 LYS 65 HZ2 -0.0107 -0.0606 -0.0021 581 LYS 65 HZ3 -0.0042 -0.0757 -0.0115 582 ASP 66 N 0.0041 -0.0129 0.0027 583 ASP 66 CA -0.0041 -0.0146 0.0042 584 ASP 66 C -0.0080 -0.0076 0.0080 585 ASP 66 O -0.0139 -0.0076 0.0095 586 ASP 66 CB -0.0075 -0.0185 0.0036 587 ASP 66 CG -0.0157 -0.0217 0.0046 588 ASP 66 OD1 -0.0170 -0.0281 0.0025 589 ASP 66 OD2 -0.0210 -0.0179 0.0074 590 ASP 66 H 0.0064 -0.0133 0.0020 591 ASP 66 HA -0.0049 -0.0182 0.0031 592 ASP 66 HB2 -0.0040 -0.0228 0.0011 593 ASP 66 HB3 -0.0073 -0.0145 0.0051 594 HIS 67 N -0.0034 0.0039 0.0133 595 HIS 67 CA -0.0043 0.0051 0.0114 596 HIS 67 C -0.0065 0.0045 0.0111 597 HIS 67 O -0.0079 0.0047 0.0102 598 HIS 67 CB -0.0031 0.0063 0.0105 599 HIS 67 CG -0.0037 0.0076 0.0086 600 HIS 67 ND1 -0.0045 0.0080 0.0076 601 HIS 67 CD2 -0.0031 0.0086 0.0076 602 HIS 67 CE1 -0.0043 0.0094 0.0061 603 HIS 67 NE2 -0.0034 0.0098 0.0060 604 HIS 67 H -0.0022 0.0040 0.0138 605 HIS 67 HA -0.0044 0.0055 0.0109 606 HIS 67 HB2 -0.0015 0.0068 0.0106 607 HIS 67 HB3 -0.0031 0.0059 0.0109 608 HIS 67 HD1 -0.0052 0.0075 0.0080 609 HIS 67 HD2 -0.0027 0.0084 0.0080 610 HIS 67 HE1 -0.0048 0.0101 0.0050 611 LYS 68 N -0.0068 0.0029 0.0087 612 LYS 68 CA -0.0070 0.0036 0.0089 613 LYS 68 C -0.0097 0.0004 0.0086 614 LYS 68 O -0.0116 0.0012 0.0089 615 LYS 68 CB -0.0027 0.0037 0.0085 616 LYS 68 CG 0.0001 0.0067 0.0087 617 LYS 68 CD 0.0044 0.0065 0.0083 618 LYS 68 CE 0.0063 0.0023 0.0075 619 LYS 68 NZ 0.0105 0.0022 0.0071 620 LYS 68 H -0.0043 0.0019 0.0084 621 LYS 68 HA -0.0083 0.0066 0.0094 622 LYS 68 HB2 -0.0015 0.0007 0.0079 623 LYS 68 HB3 -0.0027 0.0045 0.0086 624 LYS 68 HG2 -0.0011 0.0098 0.0093 625 LYS 68 HG3 0.0002 0.0059 0.0086 626 LYS 68 HD2 0.0044 0.0072 0.0084 627 LYS 68 HD3 0.0063 0.0088 0.0085 628 LYS 68 HE2 0.0062 0.0016 0.0074 629 LYS 68 HE3 0.0045 0.0001 0.0073 630 LYS 68 HZ1 0.0108 0.0029 0.0072 631 LYS 68 HZ2 0.0118 -0.0007 0.0066 632 LYS 68 HZ3 0.0123 0.0043 0.0073 633 LYS 69 N -0.0066 0.0043 -0.0003 634 LYS 69 CA -0.0096 0.0016 0.0070 635 LYS 69 C -0.0125 0.0017 0.0110 636 LYS 69 O -0.0175 0.0037 0.0159 637 LYS 69 CB -0.0051 -0.0054 0.0085 638 LYS 69 CG -0.0066 -0.0100 0.0158 639 LYS 69 CD -0.0012 -0.0168 0.0158 640 LYS 69 CE -0.0018 -0.0222 0.0227 641 LYS 69 NZ 0.0039 -0.0286 0.0219 642 LYS 69 H -0.0025 0.0015 -0.0030 643 LYS 69 HA -0.0126 0.0042 0.0083 644 LYS 69 HB2 -0.0039 -0.0053 0.0067 645 LYS 69 HB3 -0.0014 -0.0075 0.0055 646 LYS 69 HG2 -0.0081 -0.0097 0.0176 647 LYS 69 HG3 -0.0099 -0.0084 0.0188 648 LYS 69 HD2 -0.0000 -0.0166 0.0139 649 LYS 69 HD3 0.0021 -0.0179 0.0123 650 LYS 69 HE2 -0.0033 -0.0222 0.0249 651 LYS 69 HE3 -0.0048 -0.0213 0.0261 652 LYS 69 HZ1 0.0038 -0.0325 0.0265 653 LYS 69 HZ2 0.0068 -0.0293 0.0185 654 LYS 69 HZ3 0.0054 -0.0285 0.0197 655 ARG 70 N -0.0126 0.0080 0.0107 656 ARG 70 CA -0.0087 0.0089 0.0018 657 ARG 70 C -0.0068 -0.0016 -0.0011 658 ARG 70 O -0.0030 -0.0040 -0.0094 659 ARG 70 CB -0.0094 0.0165 0.0025 660 ARG 70 CG -0.0053 0.0188 -0.0068 661 ARG 70 CD -0.0022 0.0231 -0.0141 662 ARG 70 NE 0.0018 0.0250 -0.0233 663 ARG 70 CZ 0.0055 0.0245 -0.0316 664 ARG 70 NH1 0.0058 0.0222 -0.0318 665 ARG 70 NH2 0.0090 0.0263 -0.0395 666 ARG 70 H -0.0153 0.0110 0.0163 667 ARG 70 HA -0.0065 0.0118 -0.0034 668 ARG 70 HB2 -0.0111 0.0236 0.0056 669 ARG 70 HB3 -0.0113 0.0131 0.0073 670 ARG 70 HG2 -0.0061 0.0243 -0.0057 671 ARG 70 HG3 -0.0038 0.0117 -0.0094 672 ARG 70 HD2 -0.0015 0.0177 -0.0150 673 ARG 70 HD3 -0.0037 0.0303 -0.0116 674 ARG 70 HE 0.0016 0.0267 -0.0231 675 ARG 70 HH11 0.0032 0.0208 -0.0260 676 ARG 70 HH12 0.0085 0.0217 -0.0380 677 ARG 70 HH21 0.0089 0.0281 -0.0395 678 ARG 70 HH22 0.0119 0.0260 -0.0459 679 LEU 71 N -0.0086 0.0056 0.0024 680 LEU 71 CA -0.0086 0.0030 0.0017 681 LEU 71 C -0.0084 0.0017 0.0010 682 LEU 71 O -0.0076 0.0001 -0.0006 683 LEU 71 CB -0.0101 0.0017 0.0035 684 LEU 71 CG -0.0105 0.0028 0.0045 685 LEU 71 CD1 -0.0119 0.0012 0.0062 686 LEU 71 CD2 -0.0093 0.0029 0.0027 687 LEU 71 H -0.0095 0.0062 0.0039 688 LEU 71 HA -0.0078 0.0029 0.0004 689 LEU 71 HB2 -0.0109 0.0018 0.0048 690 LEU 71 HB3 -0.0100 -0.0003 0.0029 691 LEU 71 HG -0.0106 0.0047 0.0053 692 LEU 71 HD11 -0.0118 -0.0008 0.0055 693 LEU 71 HD12 -0.0127 0.0011 0.0075 694 LEU 71 HD13 -0.0122 0.0020 0.0069 695 LEU 71 HD21 -0.0083 0.0042 0.0016 696 LEU 71 HD22 -0.0091 0.0011 0.0019 697 LEU 71 HD23 -0.0096 0.0036 0.0035 698 LYS 72 N -0.0114 0.0028 0.0052 699 LYS 72 CA -0.0064 0.0092 0.0043 700 LYS 72 C 0.0004 0.0110 0.0065 701 LYS 72 O 0.0067 0.0129 0.0084 702 LYS 72 CB -0.0107 0.0158 -0.0005 703 LYS 72 CG -0.0061 0.0229 -0.0018 704 LYS 72 CD -0.0108 0.0290 -0.0066 705 LYS 72 CE -0.0063 0.0360 -0.0079 706 LYS 72 NZ -0.0109 0.0419 -0.0125 707 LYS 72 H -0.0164 0.0032 0.0028 708 LYS 72 HA -0.0046 0.0081 0.0056 709 LYS 72 HB2 -0.0155 0.0144 -0.0020 710 LYS 72 HB3 -0.0125 0.0169 -0.0018 711 LYS 72 HG2 -0.0015 0.0247 -0.0006 712 LYS 72 HG3 -0.0040 0.0219 -0.0004 713 LYS 72 HD2 -0.0154 0.0272 -0.0078 714 LYS 72 HD3 -0.0129 0.0300 -0.0080 715 LYS 72 HE2 -0.0019 0.0379 -0.0068 716 LYS 72 HE3 -0.0040 0.0349 -0.0063 717 LYS 72 HZ1 -0.0132 0.0432 -0.0141 718 LYS 72 HZ2 -0.0153 0.0403 -0.0137 719 LYS 72 HZ3 -0.0077 0.0467 -0.0133 720 GLN 73 N -0.0022 0.0048 -0.0034 721 GLN 73 CA -0.0020 0.0049 -0.0036 722 GLN 73 C -0.0022 0.0051 -0.0056 723 GLN 73 O -0.0030 0.0049 -0.0060 724 GLN 73 CB -0.0003 0.0055 -0.0028 725 GLN 73 CG 0.0000 0.0054 -0.0009 726 GLN 73 CD 0.0018 0.0060 -0.0002 727 GLN 73 OE1 0.0029 0.0067 -0.0011 728 GLN 73 NE2 0.0019 0.0058 0.0015 729 GLN 73 H -0.0012 0.0052 -0.0030 730 GLN 73 HA -0.0029 0.0044 -0.0029 731 GLN 73 HB2 0.0007 0.0061 -0.0035 732 GLN 73 HB3 -0.0002 0.0056 -0.0030 733 GLN 73 HG2 -0.0008 0.0049 -0.0001 734 GLN 73 HG3 -0.0001 0.0053 -0.0007 735 GLN 73 HE21 0.0009 0.0053 0.0022 736 GLN 73 HE22 0.0030 0.0062 0.0020 737 LEU 74 N 0.0094 0.0096 -0.0116 738 LEU 74 CA 0.0139 0.0034 -0.0159 739 LEU 74 C 0.0135 -0.0060 -0.0170 740 LEU 74 O 0.0180 -0.0115 -0.0211 741 LEU 74 CB 0.0118 0.0027 -0.0144 742 LEU 74 CG 0.0166 -0.0027 -0.0188 743 LEU 74 CD1 0.0246 0.0012 -0.0240 744 LEU 74 CD2 0.0137 -0.0029 -0.0166 745 LEU 74 H 0.0046 0.0107 -0.0079 746 LEU 74 HA 0.0196 0.0063 -0.0195 747 LEU 74 HB2 0.0116 0.0094 -0.0132 748 LEU 74 HB3 0.0063 -0.0006 -0.0109 749 LEU 74 HG 0.0164 -0.0096 -0.0197 750 LEU 74 HD11 0.0278 -0.0026 -0.0270 751 LEU 74 HD12 0.0250 0.0082 -0.0232 752 LEU 74 HD13 0.0268 0.0009 -0.0257 753 LEU 74 HD21 0.0138 0.0040 -0.0156 754 LEU 74 HD22 0.0171 -0.0067 -0.0197 755 LEU 74 HD23 0.0080 -0.0060 -0.0130 756 SER 75 N 0.0149 0.0050 -0.0080 757 SER 75 CA 0.0211 0.0040 -0.0055 758 SER 75 C 0.0126 -0.0152 -0.0015 759 SER 75 O 0.0197 -0.0216 0.0032 760 SER 75 CB 0.0436 0.0076 0.0010 761 SER 75 OG 0.0498 0.0078 0.0030 762 SER 75 H 0.0047 0.0131 -0.0144 763 SER 75 HA 0.0146 0.0152 -0.0117 764 SER 75 HB2 0.0485 0.0213 -0.0022 765 SER 75 HB3 0.0499 -0.0036 0.0072 766 SER 75 HG 0.0595 0.0187 0.0025 767 VAL 76 N 0.0029 -0.0106 -0.0074 768 VAL 76 CA 0.0001 -0.0157 -0.0071 769 VAL 76 C -0.0045 -0.0180 -0.0059 770 VAL 76 O -0.0045 -0.0230 -0.0066 771 VAL 76 CB -0.0023 -0.0143 -0.0062 772 VAL 76 CG1 -0.0054 -0.0197 -0.0059 773 VAL 76 CG2 0.0022 -0.0121 -0.0073 774 VAL 76 H 0.0028 -0.0068 -0.0068 775 VAL 76 HA 0.0031 -0.0190 -0.0086 776 VAL 76 HB -0.0053 -0.0110 -0.0047 777 VAL 76 HG11 -0.0070 -0.0186 -0.0052 778 VAL 76 HG12 -0.0025 -0.0231 -0.0073 779 VAL 76 HG13 -0.0087 -0.0211 -0.0050 780 VAL 76 HG21 0.0004 -0.0111 -0.0066 781 VAL 76 HG22 0.0041 -0.0082 -0.0074 782 VAL 76 HG23 0.0052 -0.0154 -0.0088 783 GLU 77 N -0.0116 -0.0003 -0.0045 784 GLU 77 CA -0.0147 -0.0018 -0.0032 785 GLU 77 C -0.0160 -0.0010 0.0000 786 GLU 77 O -0.0155 0.0006 0.0025 787 GLU 77 CB -0.0152 -0.0020 -0.0031 788 GLU 77 CG -0.0132 0.0002 -0.0013 789 GLU 77 CD -0.0139 -0.0001 -0.0010 790 GLU 77 OE1 -0.0131 -0.0008 -0.0035 791 GLU 77 OE2 -0.0153 0.0002 0.0016 792 GLU 77 H -0.0104 0.0013 -0.0030 793 GLU 77 HA -0.0158 -0.0034 -0.0049 794 GLU 77 HB2 -0.0174 -0.0029 -0.0017 795 GLU 77 HB3 -0.0149 -0.0030 -0.0055 796 GLU 77 HG2 -0.0109 0.0011 -0.0026 797 GLU 77 HG3 -0.0135 0.0012 0.0011 798 PRO 78 N -0.0166 0.0145 -0.0038 799 PRO 78 CA -0.0189 0.0183 -0.0009 800 PRO 78 C -0.0237 0.0189 -0.0030 801 PRO 78 O -0.0263 0.0178 -0.0058 802 PRO 78 CB -0.0194 0.0201 0.0008 803 PRO 78 CG -0.0160 0.0173 -0.0003 804 PRO 78 CD -0.0157 0.0138 -0.0041 805 PRO 78 HA -0.0170 0.0193 0.0013 806 PRO 78 HB2 -0.0228 0.0208 -0.0004 807 PRO 78 HB3 -0.0185 0.0224 0.0039 808 PRO 78 HG2 -0.0171 0.0176 -0.0006 809 PRO 78 HG3 -0.0126 0.0175 0.0019 810 PRO 78 HD2 -0.0184 0.0130 -0.0065 811 PRO 78 HD3 -0.0123 0.0118 -0.0044 812 TYR 79 N -0.0144 0.0141 0.0025 813 TYR 79 CA -0.0102 0.0143 0.0017 814 TYR 79 C -0.0122 0.0158 0.0065 815 TYR 79 O -0.0099 0.0181 0.0117 816 TYR 79 CB -0.0027 0.0150 0.0018 817 TYR 79 CG -0.0005 0.0133 -0.0035 818 TYR 79 CD1 -0.0006 0.0135 -0.0029 819 TYR 79 CD2 0.0017 0.0114 -0.0091 820 TYR 79 CE1 0.0014 0.0119 -0.0077 821 TYR 79 CE2 0.0037 0.0097 -0.0140 822 TYR 79 CZ 0.0035 0.0100 -0.0133 823 TYR 79 OH 0.0055 0.0083 -0.0182 824 TYR 79 H -0.0175 0.0126 -0.0007 825 TYR 79 HA -0.0113 0.0124 -0.0027 826 TYR 79 HB2 -0.0016 0.0168 0.0061 827 TYR 79 HB3 -0.0000 0.0152 0.0014 828 TYR 79 HD1 -0.0023 0.0150 0.0014 829 TYR 79 HD2 0.0019 0.0112 -0.0097 830 TYR 79 HE1 0.0012 0.0121 -0.0071 831 TYR 79 HE2 0.0055 0.0083 -0.0183 832 TYR 79 HH 0.0033 0.0068 -0.0217 833 SER 80 N -0.0096 0.0093 0.0067 834 SER 80 CA -0.0092 0.0102 0.0070 835 SER 80 C -0.0056 0.0098 0.0047 836 SER 80 O -0.0033 0.0096 0.0032 837 SER 80 CB -0.0121 0.0076 0.0073 838 SER 80 OG -0.0121 0.0085 0.0078 839 SER 80 H -0.0101 0.0067 0.0056 840 SER 80 HA -0.0095 0.0129 0.0085 841 SER 80 HB2 -0.0146 0.0077 0.0088 842 SER 80 HB3 -0.0118 0.0049 0.0057 843 SER 80 HG -0.0133 0.0105 0.0095 844 GLN 81 N 0.0085 0.0063 0.0074 845 GLN 81 CA 0.0073 0.0063 0.0068 846 GLN 81 C 0.0064 0.0073 0.0043 847 GLN 81 O 0.0058 0.0077 0.0033 848 GLN 81 CB 0.0051 0.0052 0.0082 849 GLN 81 CG 0.0040 0.0051 0.0079 850 GLN 81 CD 0.0017 0.0041 0.0091 851 GLN 81 OE1 0.0002 0.0037 0.0094 852 GLN 81 NE2 0.0014 0.0037 0.0098 853 GLN 81 H 0.0077 0.0057 0.0083 854 GLN 81 HA 0.0086 0.0064 0.0071 855 GLN 81 HB2 0.0056 0.0045 0.0100 856 GLN 81 HB3 0.0036 0.0052 0.0077 857 GLN 81 HG2 0.0035 0.0059 0.0061 858 GLN 81 HG3 0.0054 0.0051 0.0085 859 GLN 81 HE21 0.0026 0.0041 0.0095 860 GLN 81 HE22 -0.0001 0.0031 0.0106 861 GLU 82 N 0.0131 0.0065 -0.0002 862 GLU 82 CA 0.0133 0.0059 -0.0008 863 GLU 82 C 0.0126 0.0082 0.0013 864 GLU 82 O 0.0126 0.0082 0.0011 865 GLU 82 CB 0.0142 0.0022 -0.0003 866 GLU 82 CG 0.0144 0.0013 -0.0009 867 GLU 82 CD 0.0153 -0.0023 -0.0006 868 GLU 82 OE1 0.0153 -0.0035 0.0023 869 GLU 82 OE2 0.0159 -0.0039 -0.0031 870 GLU 82 H 0.0130 0.0079 -0.0019 871 GLU 82 HA 0.0134 0.0066 -0.0033 872 GLU 82 HB2 0.0146 0.0009 -0.0019 873 GLU 82 HB3 0.0141 0.0015 0.0022 874 GLU 82 HG2 0.0140 0.0025 0.0008 875 GLU 82 HG3 0.0145 0.0021 -0.0034 876 GLU 83 N 0.0131 0.0106 -0.0045 877 GLU 83 CA 0.0156 0.0104 -0.0064 878 GLU 83 C 0.0206 0.0134 -0.0037 879 GLU 83 O 0.0252 0.0136 -0.0061 880 GLU 83 CB 0.0114 0.0094 -0.0058 881 GLU 83 CG 0.0136 0.0091 -0.0077 882 GLU 83 CD 0.0091 0.0078 -0.0075 883 GLU 83 OE1 0.0071 0.0093 -0.0035 884 GLU 83 OE2 0.0075 0.0051 -0.0116 885 GLU 83 H 0.0121 0.0123 -0.0009 886 GLU 83 HA 0.0171 0.0088 -0.0104 887 GLU 83 HB2 0.0081 0.0073 -0.0079 888 GLU 83 HB3 0.0097 0.0110 -0.0019 889 GLU 83 HG2 0.0165 0.0113 -0.0053 890 GLU 83 HG3 0.0156 0.0077 -0.0115 891 ALA 84 N 0.0201 0.0095 -0.0027 892 ALA 84 CA 0.0302 0.0104 0.0043 893 ALA 84 C 0.0283 0.0094 0.0114 894 ALA 84 O 0.0339 0.0095 0.0202 895 ALA 84 CB 0.0331 0.0101 0.0118 896 ALA 84 H 0.0137 0.0082 0.0009 897 ALA 84 HA 0.0370 0.0119 -0.0014 898 ALA 84 HB1 0.0404 0.0108 0.0170 899 ALA 84 HB2 0.0261 0.0085 0.0172 900 ALA 84 HB3 0.0351 0.0109 0.0064 901 GLU 85 N 0.0123 0.0016 0.0022 902 GLU 85 CA 0.0090 0.0003 0.0048 903 GLU 85 C 0.0047 0.0026 0.0023 904 GLU 85 O 0.0016 0.0034 0.0018 905 GLU 85 CB 0.0075 -0.0020 0.0086 906 GLU 85 CG 0.0047 -0.0040 0.0120 907 GLU 85 CD -0.0006 -0.0028 0.0113 908 GLU 85 OE1 -0.0039 -0.0028 0.0121 909 GLU 85 OE2 -0.0015 -0.0017 0.0099 910 GLU 85 H 0.0112 0.0036 -0.0005 911 GLU 85 HA 0.0106 -0.0006 0.0058 912 GLU 85 HB2 0.0107 -0.0032 0.0097 913 GLU 85 HB3 0.0052 -0.0010 0.0076 914 GLU 85 HG2 0.0067 -0.0042 0.0120 915 GLU 85 HG3 0.0050 -0.0059 0.0148 916 ARG 86 N -0.0007 -0.0069 0.0011 917 ARG 86 CA -0.0064 0.0069 0.0071 918 ARG 86 C -0.0175 0.0052 0.0205 919 ARG 86 O -0.0211 -0.0071 0.0255 920 ARG 86 CB -0.0026 0.0136 0.0021 921 ARG 86 CG -0.0006 0.0019 0.0004 922 ARG 86 CD -0.0097 -0.0059 0.0118 923 ARG 86 NE -0.0071 -0.0178 0.0094 924 ARG 86 CZ -0.0130 -0.0287 0.0171 925 ARG 86 NH1 -0.0223 -0.0289 0.0283 926 ARG 86 NH2 -0.0096 -0.0392 0.0136 927 ARG 86 H -0.0016 -0.0165 0.0027 928 ARG 86 HA -0.0049 0.0152 0.0049 929 ARG 86 HB2 -0.0080 0.0221 0.0082 930 ARG 86 HB3 0.0042 0.0194 -0.0063 931 ARG 86 HG2 0.0025 0.0079 -0.0037 932 ARG 86 HG3 0.0048 -0.0067 -0.0056 933 ARG 86 HD2 -0.0133 -0.0111 0.0165 934 ARG 86 HD3 -0.0146 0.0026 0.0173 935 ARG 86 HE -0.0003 -0.0176 0.0011 936 ARG 86 HH11 -0.0254 -0.0213 0.0315 937 ARG 86 HH12 -0.0269 -0.0370 0.0342 938 ARG 86 HH21 -0.0027 -0.0393 0.0052 939 ARG 86 HH22 -0.0138 -0.0476 0.0190 940 ALA 87 N -0.0144 0.0037 -0.0052 941 ALA 87 CA -0.0034 0.0019 -0.0274 942 ALA 87 C -0.0087 -0.0014 0.0073 943 ALA 87 O 0.0148 -0.0134 0.0075 944 ALA 87 CB 0.0405 -0.0172 -0.0465 945 ALA 87 H 0.0054 -0.0097 0.0138 946 ALA 87 HA -0.0229 0.0165 -0.0542 947 ALA 87 HB1 0.0598 -0.0316 -0.0197 948 ALA 87 HB2 0.0439 -0.0147 -0.0710 949 ALA 87 HB3 0.0491 -0.0189 -0.0621 950 ALA 88 N -0.0544 0.0119 0.0280 951 ALA 88 CA -0.0537 0.0240 0.0164 952 ALA 88 C -0.0390 -0.0029 0.0198 953 ALA 88 O -0.0166 -0.0144 -0.0006 954 ALA 88 CB -0.0432 0.0447 -0.0163 955 ALA 88 H -0.0390 -0.0053 0.0220 956 ALA 88 HA -0.0725 0.0380 0.0297 957 ALA 88 HB1 -0.0243 0.0308 -0.0299 958 ALA 88 HB2 -0.0541 0.0636 -0.0180 959 ALA 88 HB3 -0.0435 0.0539 -0.0240 960 GLY 89 N -0.0731 -0.0277 0.0590 961 GLY 89 CA 0.0176 -0.0533 0.0625 962 GLY 89 C 0.0149 -0.0548 0.0950 963 GLY 89 O -0.0298 -0.0392 0.0504 964 GLY 89 H -0.1244 -0.0157 0.0933 965 GLY 89 HA2 0.0485 -0.0570 -0.0077 966 GLY 89 HA3 0.0578 -0.0680 0.1114 967 MET 90 N 0.0596 0.0048 -0.0790 968 MET 90 CA -0.0156 -0.0107 -0.0540 969 MET 90 C -0.1143 0.0115 0.0905 970 MET 90 O -0.0656 0.0725 0.2074 971 MET 90 CB 0.0956 0.0226 -0.0639 972 MET 90 CG 0.0293 -0.0017 -0.0696 973 MET 90 SD -0.0938 0.0178 0.0891 974 MET 90 CE -0.1319 -0.0118 0.0449 975 MET 90 H 0.0379 -0.0349 -0.1639 976 MET 90 HA -0.0872 -0.0670 -0.1387 977 MET 90 HB2 0.1721 0.0111 -0.1607 978 MET 90 HB3 0.1569 0.0786 0.0290 979 MET 90 HG2 -0.0321 -0.0578 -0.1625 980 MET 90 HG3 0.1192 0.0224 -0.0852 981 MET 90 HE1 -0.1834 -0.0670 -0.0544 982 MET 90 HE2 -0.2052 -0.0030 0.1320 983 MET 90 HE3 -0.0303 0.0166 0.0303 984 GLY 91 N -0.0537 -0.0253 0.0094 985 GLY 91 CA -0.0146 -0.0167 -0.0470 986 GLY 91 C 0.0184 -0.0256 -0.0101 987 GLY 91 O 0.0891 -0.0307 -0.0037 988 GLY 91 H -0.0243 -0.0354 0.0536 989 GLY 91 HA2 -0.0554 -0.0060 -0.0907 990 GLY 91 HA3 0.0324 -0.0144 -0.0726 991 SER 92 N 0.0342 -0.0336 -0.0110 992 SER 92 CA 0.0416 -0.0259 -0.0176 993 SER 92 C 0.0601 -0.0370 -0.0068 994 SER 92 O 0.0791 -0.0398 -0.0036 995 SER 92 CB 0.0511 -0.0073 -0.0339 996 SER 92 OG 0.0334 0.0029 -0.0437 997 SER 92 H 0.0459 -0.0346 -0.0096 998 SER 92 HA 0.0264 -0.0251 -0.0189 999 SER 92 HB2 0.0664 -0.0078 -0.0328 1000 SER 92 HB3 0.0559 -0.0011 -0.0392 1001 SER 92 HG 0.0212 -0.0055 -0.0367 1002 TYR 93 N 0.0117 -0.0126 0.0096 1003 TYR 93 CA 0.0058 -0.0085 0.0037 1004 TYR 93 C -0.0012 -0.0075 -0.0054 1005 TYR 93 O -0.0012 -0.0074 -0.0053 1006 TYR 93 CB 0.0053 0.0029 0.0091 1007 TYR 93 CG -0.0000 0.0075 0.0044 1008 TYR 93 CD1 0.0023 0.0050 0.0062 1009 TYR 93 CD2 -0.0073 0.0143 -0.0019 1010 TYR 93 CE1 -0.0024 0.0091 0.0020 1011 TYR 93 CE2 -0.0120 0.0185 -0.0061 1012 TYR 93 CZ -0.0095 0.0158 -0.0042 1013 TYR 93 OH -0.0143 0.0199 -0.0085 1014 TYR 93 H 0.0117 -0.0077 0.0122 1015 TYR 93 HA 0.0069 -0.0142 0.0021 1016 TYR 93 HB2 0.0106 0.0022 0.0161 1017 TYR 93 HB3 0.0035 0.0086 0.0099 1018 TYR 93 HD1 0.0080 -0.0004 0.0111 1019 TYR 93 HD2 -0.0092 0.0164 -0.0034 1020 TYR 93 HE1 -0.0004 0.0070 0.0035 1021 TYR 93 HE2 -0.0176 0.0238 -0.0110 1022 TYR 93 HH -0.0186 0.0185 -0.0152 1023 VAL 94 N -0.0304 0.0015 0.0172 1024 VAL 94 CA -0.0137 0.0149 0.0135 1025 VAL 94 C -0.0135 0.0195 0.0139 1026 VAL 94 O -0.0098 0.0055 0.0115 1027 VAL 94 CB 0.0066 0.0070 0.0067 1028 VAL 94 CG1 0.0108 -0.0145 0.0034 1029 VAL 94 CG2 0.0234 0.0219 0.0032 1030 VAL 94 H -0.0278 -0.0118 0.0152 1031 VAL 94 HA -0.0165 0.0293 0.0158 1032 VAL 94 HB 0.0057 0.0061 0.0069 1033 VAL 94 HG11 0.0248 -0.0191 -0.0012 1034 VAL 94 HG12 0.0111 -0.0144 0.0033 1035 VAL 94 HG13 -0.0007 -0.0250 0.0058 1036 VAL 94 HG21 0.0241 0.0236 0.0031 1037 VAL 94 HG22 0.0371 0.0161 -0.0015 1038 VAL 94 HG23 0.0209 0.0366 0.0054