1 ASP 28 N 0.0038 0.0030 -0.0008 2 ASP 28 CA -0.0013 0.0030 0.0017 3 ASP 28 C -0.0017 0.0012 0.0033 4 ASP 28 O 0.0003 0.0025 0.0013 5 ASP 28 CB -0.0049 0.0075 -0.0004 6 ASP 28 CG -0.0103 0.0077 0.0020 7 ASP 28 OD1 -0.0124 0.0059 0.0045 8 ASP 28 OD2 -0.0125 0.0097 0.0013 9 ASP 28 H 0.0042 0.0043 -0.0021 10 ASP 28 HA -0.0023 0.0010 0.0038 11 ASP 28 HB2 -0.0046 0.0087 -0.0015 12 ASP 28 HB3 -0.0038 0.0095 -0.0026 13 PRO 29 N 0.0016 0.0066 -0.0096 14 PRO 29 CA -0.0042 0.0055 -0.0095 15 PRO 29 C -0.0115 0.0130 -0.0112 16 PRO 29 O -0.0164 0.0152 -0.0117 17 PRO 29 CB -0.0091 -0.0038 -0.0077 18 PRO 29 CG -0.0037 -0.0086 -0.0067 19 PRO 29 CD 0.0006 -0.0013 -0.0080 20 PRO 29 HA 0.0000 0.0053 -0.0094 21 PRO 29 HB2 -0.0163 -0.0025 -0.0081 22 PRO 29 HB3 -0.0091 -0.0076 -0.0070 23 PRO 29 HG2 -0.0083 -0.0130 -0.0059 24 PRO 29 HG3 0.0018 -0.0127 -0.0057 25 PRO 29 HD2 -0.0041 0.0004 -0.0085 26 PRO 29 HD3 0.0073 -0.0035 -0.0074 27 ASN 30 N 0.0040 -0.0058 0.0138 28 ASN 30 CA 0.0031 -0.0033 0.0056 29 ASN 30 C 0.0013 -0.0066 0.0044 30 ASN 30 O -0.0022 -0.0125 0.0007 31 ASN 30 CB 0.0005 -0.0053 -0.0012 32 ASN 30 CG -0.0007 -0.0031 -0.0102 33 ASN 30 OD1 0.0013 0.0034 -0.0138 34 ASN 30 ND2 -0.0040 -0.0085 -0.0140 35 ASN 30 H 0.0066 -0.0017 0.0171 36 ASN 30 HA 0.0058 0.0030 0.0053 37 ASN 30 HB2 0.0021 -0.0022 -0.0003 38 ASN 30 HB3 -0.0019 -0.0115 0.0000 39 ASN 30 HD21 -0.0055 -0.0137 -0.0109 40 ASN 30 HD22 -0.0048 -0.0072 -0.0197 41 ALA 31 N 0.0020 0.0001 0.0081 42 ALA 31 CA 0.0011 0.0003 0.0062 43 ALA 31 C 0.0030 0.0012 0.0052 44 ALA 31 O 0.0036 0.0011 0.0063 45 ALA 31 CB -0.0009 -0.0005 0.0071 46 ALA 31 H 0.0037 0.0004 0.0088 47 ALA 31 HA 0.0003 0.0005 0.0047 48 ALA 31 HB1 -0.0017 -0.0004 0.0056 49 ALA 31 HB2 -0.0002 -0.0007 0.0086 50 ALA 31 HB3 -0.0023 -0.0012 0.0078 51 GLU 32 N 0.0067 0.0039 -0.0016 52 GLU 32 CA 0.0073 -0.0021 -0.0078 53 GLU 32 C 0.0025 -0.0034 -0.0138 54 GLU 32 O 0.0008 -0.0074 -0.0199 55 GLU 32 CB 0.0150 -0.0076 -0.0069 56 GLU 32 CG 0.0183 -0.0089 -0.0053 57 GLU 32 CD 0.0259 -0.0146 -0.0046 58 GLU 32 OE1 0.0269 -0.0202 -0.0100 59 GLU 32 OE2 0.0309 -0.0137 0.0012 60 GLU 32 H 0.0106 0.0035 0.0016 61 GLU 32 HA 0.0055 -0.0013 -0.0087 62 GLU 32 HB2 0.0152 -0.0119 -0.0116 63 GLU 32 HB3 0.0181 -0.0064 -0.0026 64 GLU 32 HG2 0.0184 -0.0047 -0.0004 65 GLU 32 HG3 0.0151 -0.0099 -0.0094 66 PHE 33 N 0.0063 0.0054 -0.0060 67 PHE 33 CA 0.0039 0.0058 -0.0085 68 PHE 33 C 0.0013 0.0057 -0.0072 69 PHE 33 O 0.0011 0.0052 -0.0042 70 PHE 33 CB 0.0024 0.0060 -0.0097 71 PHE 33 CG 0.0011 0.0056 -0.0070 72 PHE 33 CD1 -0.0021 0.0055 -0.0058 73 PHE 33 CD2 0.0029 0.0054 -0.0057 74 PHE 33 CE1 -0.0033 0.0051 -0.0034 75 PHE 33 CE2 0.0017 0.0050 -0.0032 76 PHE 33 CZ -0.0014 0.0049 -0.0020 77 PHE 33 H 0.0058 0.0052 -0.0043 78 PHE 33 HA 0.0051 0.0061 -0.0105 79 PHE 33 HB2 0.0004 0.0063 -0.0113 80 PHE 33 HB3 0.0043 0.0062 -0.0110 81 PHE 33 HD1 -0.0036 0.0057 -0.0069 82 PHE 33 HD2 0.0054 0.0055 -0.0066 83 PHE 33 HE1 -0.0057 0.0050 -0.0025 84 PHE 33 HE2 0.0032 0.0049 -0.0022 85 PHE 33 HZ -0.0023 0.0046 -0.0001 86 ASP 34 N -0.0007 0.0029 -0.0047 87 ASP 34 CA -0.0034 0.0025 -0.0036 88 ASP 34 C -0.0047 0.0018 -0.0044 89 ASP 34 O -0.0042 0.0010 -0.0066 90 ASP 34 CB -0.0049 0.0017 -0.0044 91 ASP 34 CG -0.0076 0.0015 -0.0031 92 ASP 34 OD1 -0.0093 0.0007 -0.0038 93 ASP 34 OD2 -0.0081 0.0021 -0.0014 94 ASP 34 H -0.0004 0.0022 -0.0064 95 ASP 34 HA -0.0035 0.0034 -0.0016 96 ASP 34 HB2 -0.0039 0.0022 -0.0041 97 ASP 34 HB3 -0.0050 0.0008 -0.0064 98 PRO 35 N -0.0116 -0.0011 0.0006 99 PRO 35 CA -0.0148 -0.0018 -0.0001 100 PRO 35 C -0.0179 -0.0023 -0.0017 101 PRO 35 O -0.0207 -0.0030 -0.0024 102 PRO 35 CB -0.0157 -0.0026 0.0035 103 PRO 35 CG -0.0145 -0.0027 0.0060 104 PRO 35 CD -0.0113 -0.0016 0.0044 105 PRO 35 HA -0.0143 -0.0014 -0.0019 106 PRO 35 HB2 -0.0184 -0.0033 0.0036 107 PRO 35 HB3 -0.0142 -0.0023 0.0040 108 PRO 35 HG2 -0.0166 -0.0032 0.0061 109 PRO 35 HG3 -0.0139 -0.0030 0.0086 110 PRO 35 HD2 -0.0113 -0.0017 0.0047 111 PRO 35 HD3 -0.0090 -0.0013 0.0057 112 ASP 36 N -0.0064 0.0142 0.0010 113 ASP 36 CA -0.0118 0.0086 -0.0002 114 ASP 36 C -0.0108 -0.0033 -0.0021 115 ASP 36 O -0.0100 -0.0096 -0.0031 116 ASP 36 CB -0.0237 0.0118 -0.0001 117 ASP 36 CG -0.0298 0.0059 -0.0014 118 ASP 36 OD1 -0.0281 0.0083 -0.0009 119 ASP 36 OD2 -0.0364 -0.0013 -0.0028 120 ASP 36 H -0.0101 0.0149 0.0009 121 ASP 36 HA -0.0077 0.0107 0.0003 122 ASP 36 HB2 -0.0240 0.0203 0.0012 123 ASP 36 HB3 -0.0276 0.0104 -0.0005 124 LEU 37 N -0.0051 -0.0042 -0.0035 125 LEU 37 CA -0.0050 -0.0051 -0.0039 126 LEU 37 C -0.0035 -0.0053 -0.0055 127 LEU 37 O -0.0025 -0.0038 -0.0060 128 LEU 37 CB -0.0057 -0.0042 -0.0030 129 LEU 37 CG -0.0073 -0.0046 -0.0015 130 LEU 37 CD1 -0.0080 -0.0067 -0.0015 131 LEU 37 CD2 -0.0079 -0.0036 -0.0005 132 LEU 37 H -0.0050 -0.0028 -0.0031 133 LEU 37 HA -0.0057 -0.0066 -0.0038 134 LEU 37 HB2 -0.0052 -0.0027 -0.0029 135 LEU 37 HB3 -0.0053 -0.0048 -0.0035 136 LEU 37 HG -0.0076 -0.0040 -0.0010 137 LEU 37 HD11 -0.0092 -0.0068 -0.0004 138 LEU 37 HD12 -0.0078 -0.0074 -0.0020 139 LEU 37 HD13 -0.0076 -0.0073 -0.0021 140 LEU 37 HD21 -0.0091 -0.0039 0.0005 141 LEU 37 HD22 -0.0075 -0.0021 -0.0004 142 LEU 37 HD23 -0.0077 -0.0042 -0.0010 143 PRO 38 N -0.0015 -0.0041 -0.0001 144 PRO 38 CA -0.0010 -0.0042 -0.0007 145 PRO 38 C -0.0005 -0.0038 -0.0008 146 PRO 38 O -0.0007 -0.0038 -0.0007 147 PRO 38 CB -0.0012 -0.0050 -0.0011 148 PRO 38 CG -0.0019 -0.0053 -0.0007 149 PRO 38 CD -0.0021 -0.0047 -0.0001 150 PRO 38 HA -0.0008 -0.0041 -0.0009 151 PRO 38 HB2 -0.0011 -0.0050 -0.0012 152 PRO 38 HB3 -0.0010 -0.0052 -0.0015 153 PRO 38 HG2 -0.0021 -0.0057 -0.0008 154 PRO 38 HG3 -0.0020 -0.0054 -0.0008 155 PRO 38 HD2 -0.0022 -0.0047 0.0000 156 PRO 38 HD3 -0.0025 -0.0048 0.0002 157 GLY 39 N 0.0018 -0.0034 -0.0025 158 GLY 39 CA 0.0016 -0.0029 -0.0026 159 GLY 39 C 0.0023 -0.0035 -0.0024 160 GLY 39 O 0.0026 -0.0030 -0.0023 161 GLY 39 H 0.0012 -0.0039 -0.0027 162 GLY 39 HA2 0.0008 -0.0029 -0.0029 163 GLY 39 HA3 0.0019 -0.0020 -0.0025 164 GLY 40 N -0.0002 -0.0028 -0.0079 165 GLY 40 CA -0.0001 -0.0024 -0.0072 166 GLY 40 C -0.0003 -0.0024 -0.0071 167 GLY 40 O -0.0001 -0.0021 -0.0066 168 GLY 40 H -0.0006 -0.0029 -0.0079 169 GLY 40 HA2 -0.0004 -0.0023 -0.0067 170 GLY 40 HA3 0.0006 -0.0022 -0.0071 171 GLY 41 N 0.0004 -0.0046 -0.0048 172 GLY 41 CA 0.0004 -0.0044 -0.0041 173 GLY 41 C 0.0008 -0.0034 -0.0042 174 GLY 41 O 0.0009 -0.0031 -0.0035 175 GLY 41 H 0.0002 -0.0050 -0.0054 176 GLY 41 HA2 0.0003 -0.0048 -0.0042 177 GLY 41 HA3 0.0004 -0.0045 -0.0034 178 LEU 42 N 0.0059 -0.0021 -0.0067 179 LEU 42 CA 0.0046 -0.0012 -0.0065 180 LEU 42 C 0.0043 -0.0005 -0.0054 181 LEU 42 O 0.0033 0.0003 -0.0049 182 LEU 42 CB 0.0037 -0.0011 -0.0080 183 LEU 42 CG 0.0039 -0.0016 -0.0093 184 LEU 42 CD1 0.0030 -0.0015 -0.0106 185 LEU 42 CD2 0.0037 -0.0014 -0.0089 186 LEU 42 H 0.0061 -0.0025 -0.0074 187 LEU 42 HA 0.0045 -0.0009 -0.0062 188 LEU 42 HB2 0.0039 -0.0013 -0.0083 189 LEU 42 HB3 0.0028 -0.0003 -0.0078 190 LEU 42 HG 0.0049 -0.0023 -0.0095 191 LEU 42 HD11 0.0031 -0.0019 -0.0115 192 LEU 42 HD12 0.0020 -0.0007 -0.0104 193 LEU 42 HD13 0.0032 -0.0017 -0.0109 194 LEU 42 HD21 0.0028 -0.0007 -0.0087 195 LEU 42 HD22 0.0038 -0.0018 -0.0098 196 LEU 42 HD23 0.0045 -0.0015 -0.0080 197 HIS 43 N 0.0025 0.0031 0.0015 198 HIS 43 CA 0.0026 0.0032 0.0010 199 HIS 43 C 0.0025 0.0023 0.0018 200 HIS 43 O 0.0023 0.0012 0.0016 201 HIS 43 CB 0.0025 0.0029 -0.0004 202 HIS 43 CG 0.0026 0.0036 -0.0013 203 HIS 43 ND1 0.0028 0.0048 -0.0018 204 HIS 43 CD2 0.0026 0.0033 -0.0018 205 HIS 43 CE1 0.0028 0.0052 -0.0026 206 HIS 43 NE2 0.0027 0.0043 -0.0026 207 HIS 43 H 0.0025 0.0023 0.0016 208 HIS 43 HA 0.0027 0.0042 0.0012 209 HIS 43 HB2 0.0024 0.0018 -0.0006 210 HIS 43 HB3 0.0026 0.0031 -0.0007 211 HIS 43 HD1 0.0028 0.0053 -0.0016 212 HIS 43 HD2 0.0025 0.0024 -0.0016 213 HIS 43 HE1 0.0029 0.0061 -0.0031 214 HIS 43 HE2 0.0027 0.0044 -0.0029 215 ARG 44 N 0.0023 -0.0004 0.0036 216 ARG 44 CA 0.0037 -0.0004 0.0048 217 ARG 44 C 0.0033 0.0008 0.0063 218 ARG 44 O 0.0021 0.0017 0.0064 219 ARG 44 CB 0.0044 -0.0008 0.0050 220 ARG 44 CG 0.0045 -0.0018 0.0036 221 ARG 44 CD 0.0052 -0.0020 0.0040 222 ARG 44 NE 0.0052 -0.0029 0.0027 223 ARG 44 CZ 0.0059 -0.0033 0.0028 224 ARG 44 NH1 0.0065 -0.0028 0.0041 225 ARG 44 NH2 0.0060 -0.0042 0.0015 226 ARG 44 H 0.0015 0.0002 0.0036 227 ARG 44 HA 0.0044 -0.0011 0.0047 228 ARG 44 HB2 0.0038 -0.0000 0.0056 229 ARG 44 HB3 0.0055 -0.0010 0.0058 230 ARG 44 HG2 0.0053 -0.0026 0.0032 231 ARG 44 HG3 0.0034 -0.0016 0.0029 232 ARG 44 HD2 0.0045 -0.0012 0.0045 233 ARG 44 HD3 0.0063 -0.0022 0.0048 234 ARG 44 HE 0.0048 -0.0033 0.0017 235 ARG 44 HH11 0.0065 -0.0022 0.0051 236 ARG 44 HH12 0.0070 -0.0031 0.0042 237 ARG 44 HH21 0.0055 -0.0046 0.0005 238 ARG 44 HH22 0.0064 -0.0045 0.0016 239 CYS 45 N 0.0030 -0.0001 0.0059 240 CYS 45 CA 0.0037 0.0011 0.0053 241 CYS 45 C 0.0048 0.0008 0.0060 242 CYS 45 O 0.0044 0.0003 0.0062 243 CYS 45 CB 0.0028 0.0018 0.0045 244 CYS 45 SG 0.0038 0.0032 0.0039 245 CYS 45 H 0.0023 -0.0006 0.0059 246 CYS 45 HA 0.0042 0.0015 0.0052 247 CYS 45 HB2 0.0022 0.0021 0.0040 248 CYS 45 HB3 0.0022 0.0013 0.0046 249 LEU 46 N 0.0073 0.0012 0.0085 250 LEU 46 CA 0.0106 0.0008 0.0040 251 LEU 46 C 0.0132 0.0056 0.0030 252 LEU 46 O 0.0161 0.0072 -0.0000 253 LEU 46 CB 0.0104 -0.0036 0.0021 254 LEU 46 CG 0.0081 -0.0087 0.0027 255 LEU 46 CD1 0.0078 -0.0127 0.0010 256 LEU 46 CD2 0.0092 -0.0099 0.0006 257 LEU 46 H 0.0055 -0.0008 0.0099 258 LEU 46 HA 0.0114 0.0001 0.0026 259 LEU 46 HB2 0.0096 -0.0030 0.0035 260 LEU 46 HB3 0.0129 -0.0038 -0.0012 261 LEU 46 HG 0.0056 -0.0083 0.0060 262 LEU 46 HD11 0.0068 -0.0119 0.0027 263 LEU 46 HD12 0.0062 -0.0163 0.0013 264 LEU 46 HD13 0.0103 -0.0128 -0.0023 265 LEU 46 HD21 0.0091 -0.0072 0.0020 266 LEU 46 HD22 0.0117 -0.0100 -0.0027 267 LEU 46 HD23 0.0075 -0.0136 0.0010 268 ALA 47 N 0.0100 0.0049 0.0004 269 ALA 47 CA 0.0109 0.0069 0.0002 270 ALA 47 C 0.0107 0.0078 0.0004 271 ALA 47 O 0.0118 0.0093 0.0001 272 ALA 47 CB 0.0100 0.0084 0.0009 273 ALA 47 H 0.0089 0.0046 0.0009 274 ALA 47 HA 0.0123 0.0068 -0.0005 275 ALA 47 HB1 0.0108 0.0099 0.0007 276 ALA 47 HB2 0.0086 0.0085 0.0016 277 ALA 47 HB3 0.0101 0.0077 0.0007 278 CYS 48 N 0.0102 0.0040 0.0046 279 CYS 48 CA 0.0082 0.0030 0.0046 280 CYS 48 C 0.0081 0.0005 0.0063 281 CYS 48 O 0.0068 -0.0004 0.0065 282 CYS 48 CB 0.0056 0.0035 0.0033 283 CYS 48 SG 0.0055 0.0063 0.0014 284 CYS 48 H 0.0102 0.0036 0.0049 285 CYS 48 HA 0.0087 0.0038 0.0043 286 CYS 48 HB2 0.0049 0.0033 0.0033 287 CYS 48 HB3 0.0042 0.0028 0.0034 288 ALA 49 N 0.0088 0.0011 0.0078 289 ALA 49 CA 0.0090 -0.0026 0.0097 290 ALA 49 C 0.0054 -0.0050 0.0089 291 ALA 49 O 0.0049 -0.0081 0.0102 292 ALA 49 CB 0.0111 -0.0038 0.0115 293 ALA 49 H 0.0098 0.0028 0.0075 294 ALA 49 HA 0.0102 -0.0026 0.0104 295 ALA 49 HB1 0.0099 -0.0038 0.0108 296 ALA 49 HB2 0.0136 -0.0021 0.0121 297 ALA 49 HB3 0.0114 -0.0065 0.0130 298 ARG 50 N 0.0038 -0.0021 0.0093 299 ARG 50 CA 0.0012 -0.0037 0.0080 300 ARG 50 C 0.0004 -0.0037 0.0074 301 ARG 50 O 0.0012 -0.0016 0.0069 302 ARG 50 CB -0.0006 -0.0026 0.0060 303 ARG 50 CG -0.0001 -0.0027 0.0064 304 ARG 50 CD -0.0019 -0.0015 0.0044 305 ARG 50 NE -0.0014 -0.0015 0.0048 306 ARG 50 CZ -0.0026 -0.0004 0.0033 307 ARG 50 NH1 -0.0044 0.0007 0.0012 308 ARG 50 NH2 -0.0020 -0.0005 0.0038 309 ARG 50 H 0.0042 0.0001 0.0086 310 ARG 50 HA 0.0010 -0.0059 0.0090 311 ARG 50 HB2 -0.0004 -0.0003 0.0050 312 ARG 50 HB3 -0.0025 -0.0038 0.0050 313 ARG 50 HG2 -0.0003 -0.0049 0.0074 314 ARG 50 HG3 0.0018 -0.0014 0.0074 315 ARG 50 HD2 -0.0017 0.0007 0.0035 316 ARG 50 HD3 -0.0038 -0.0028 0.0035 317 ARG 50 HE -0.0001 -0.0025 0.0063 318 ARG 50 HH11 -0.0049 0.0008 0.0007 319 ARG 50 HH12 -0.0053 0.0016 0.0000 320 ARG 50 HH21 -0.0006 -0.0013 0.0053 321 ARG 50 HH22 -0.0028 0.0004 0.0027 322 TYR 51 N 0.0005 -0.0022 0.0027 323 TYR 51 CA -0.0002 -0.0024 0.0020 324 TYR 51 C -0.0010 -0.0024 0.0014 325 TYR 51 O -0.0009 -0.0029 0.0013 326 TYR 51 CB 0.0001 -0.0036 0.0018 327 TYR 51 CG 0.0010 -0.0037 0.0024 328 TYR 51 CD1 0.0019 -0.0040 0.0029 329 TYR 51 CD2 0.0009 -0.0035 0.0024 330 TYR 51 CE1 0.0027 -0.0042 0.0034 331 TYR 51 CE2 0.0017 -0.0037 0.0029 332 TYR 51 CZ 0.0026 -0.0040 0.0034 333 TYR 51 OH 0.0034 -0.0042 0.0040 334 TYR 51 H 0.0008 -0.0028 0.0027 335 TYR 51 HA -0.0004 -0.0019 0.0021 336 TYR 51 HB2 0.0003 -0.0041 0.0016 337 TYR 51 HB3 -0.0004 -0.0037 0.0013 338 TYR 51 HD1 0.0019 -0.0042 0.0029 339 TYR 51 HD2 0.0002 -0.0033 0.0020 340 TYR 51 HE1 0.0033 -0.0044 0.0038 341 TYR 51 HE2 0.0016 -0.0035 0.0029 342 TYR 51 HH 0.0038 -0.0048 0.0040 343 PHE 52 N -0.0001 0.0014 0.0011 344 PHE 52 CA 0.0000 0.0013 0.0006 345 PHE 52 C 0.0000 0.0016 0.0001 346 PHE 52 O -0.0001 0.0020 0.0001 347 PHE 52 CB -0.0000 0.0016 0.0006 348 PHE 52 CG -0.0001 0.0014 0.0010 349 PHE 52 CD1 -0.0002 0.0016 0.0016 350 PHE 52 CD2 0.0001 0.0010 0.0010 351 PHE 52 CE1 -0.0002 0.0014 0.0020 352 PHE 52 CE2 0.0001 0.0008 0.0014 353 PHE 52 CZ -0.0001 0.0010 0.0019 354 PHE 52 H -0.0002 0.0018 0.0012 355 PHE 52 HA 0.0002 0.0009 0.0005 356 PHE 52 HB2 -0.0002 0.0020 0.0006 357 PHE 52 HB3 0.0000 0.0015 0.0002 358 PHE 52 HD1 -0.0003 0.0019 0.0016 359 PHE 52 HD2 0.0002 0.0008 0.0006 360 PHE 52 HE1 -0.0003 0.0015 0.0024 361 PHE 52 HE2 0.0002 0.0005 0.0013 362 PHE 52 HZ -0.0001 0.0008 0.0022 363 ILE 53 N -0.0013 0.0054 0.0022 364 ILE 53 CA -0.0031 0.0014 0.0099 365 ILE 53 C 0.0007 -0.0039 0.0121 366 ILE 53 O 0.0021 -0.0090 0.0174 367 ILE 53 CB -0.0103 0.0054 0.0142 368 ILE 53 CG1 -0.0124 0.0092 0.0117 369 ILE 53 CG2 -0.0142 0.0097 0.0134 370 ILE 53 CD1 -0.0194 0.0130 0.0158 371 ILE 53 H -0.0048 0.0099 0.0005 372 ILE 53 HA -0.0020 -0.0007 0.0114 373 ILE 53 HB -0.0112 0.0021 0.0198 374 ILE 53 HG12 -0.0114 0.0124 0.0060 375 ILE 53 HG13 -0.0095 0.0059 0.0125 376 ILE 53 HG21 -0.0132 0.0129 0.0077 377 ILE 53 HG22 -0.0129 0.0069 0.0155 378 ILE 53 HG23 -0.0193 0.0125 0.0163 379 ILE 53 HD11 -0.0205 0.0099 0.0215 380 ILE 53 HD12 -0.0205 0.0156 0.0136 381 ILE 53 HD13 -0.0223 0.0163 0.0151 382 ASP 54 N 0.0039 0.0074 0.0040 383 ASP 54 CA 0.0086 0.0088 0.0029 384 ASP 54 C 0.0087 0.0065 0.0010 385 ASP 54 O 0.0057 0.0030 -0.0004 386 ASP 54 CB 0.0125 0.0079 0.0004 387 ASP 54 CG 0.0176 0.0095 -0.0008 388 ASP 54 OD1 0.0198 0.0133 0.0012 389 ASP 54 OD2 0.0195 0.0070 -0.0037 390 ASP 54 H 0.0019 0.0045 0.0026 391 ASP 54 HA 0.0094 0.0121 0.0052 392 ASP 54 HB2 0.0123 0.0094 0.0017 393 ASP 54 HB3 0.0117 0.0046 -0.0019 394 SER 55 N 0.0059 0.0099 -0.0042 395 SER 55 CA 0.0038 0.0095 -0.0020 396 SER 55 C 0.0055 0.0061 -0.0020 397 SER 55 O 0.0041 0.0041 0.0005 398 SER 55 CB 0.0026 0.0135 -0.0028 399 SER 55 OG 0.0007 0.0132 -0.0009 400 SER 55 H 0.0064 0.0124 -0.0060 401 SER 55 HA 0.0018 0.0089 0.0003 402 SER 55 HB2 0.0011 0.0157 -0.0026 403 SER 55 HB3 0.0045 0.0144 -0.0052 404 SER 55 HG 0.0020 0.0124 -0.0017 405 THR 56 N 0.0100 0.0115 -0.0043 406 THR 56 CA 0.0142 0.0052 -0.0034 407 THR 56 C 0.0131 0.0001 -0.0015 408 THR 56 O 0.0124 -0.0059 0.0007 409 THR 56 CB 0.0218 0.0065 -0.0059 410 THR 56 OG1 0.0226 0.0118 -0.0079 411 THR 56 CG2 0.0261 0.0001 -0.0050 412 THR 56 H 0.0125 0.0156 -0.0063 413 THR 56 HA 0.0125 0.0031 -0.0023 414 THR 56 HB 0.0233 0.0079 -0.0068 415 THR 56 HG1 0.0215 0.0160 -0.0089 416 THR 56 HG21 0.0315 0.0011 -0.0068 417 THR 56 HG22 0.0244 -0.0015 -0.0041 418 THR 56 HG23 0.0255 -0.0040 -0.0036 419 ASN 57 N 0.0083 0.0031 -0.0034 420 ASN 57 CA 0.0062 -0.0003 -0.0025 421 ASN 57 C 0.0040 -0.0007 -0.0000 422 ASN 57 O 0.0029 -0.0036 0.0000 423 ASN 57 CB 0.0053 -0.0006 -0.0015 424 ASN 57 CG 0.0069 -0.0021 -0.0040 425 ASN 57 OD1 0.0064 -0.0054 -0.0049 426 ASN 57 ND2 0.0089 0.0004 -0.0053 427 ASN 57 H 0.0085 0.0050 -0.0029 428 ASN 57 HA 0.0070 -0.0025 -0.0044 429 ASN 57 HB2 0.0053 0.0021 -0.0004 430 ASN 57 HB3 0.0033 -0.0023 0.0001 431 ASN 57 HD21 0.0092 0.0030 -0.0046 432 ASN 57 HD22 0.0099 -0.0005 -0.0070 433 LEU 58 N 0.0031 0.0010 0.0011 434 LEU 58 CA 0.0019 0.0008 0.0018 435 LEU 58 C 0.0015 0.0001 0.0025 436 LEU 58 O 0.0011 -0.0007 0.0033 437 LEU 58 CB 0.0010 0.0019 0.0013 438 LEU 58 CG -0.0004 0.0020 0.0019 439 LEU 58 CD1 -0.0010 0.0019 0.0022 440 LEU 58 CD2 -0.0006 0.0011 0.0027 441 LEU 58 H 0.0032 0.0017 0.0005 442 LEU 58 HA 0.0020 0.0004 0.0021 443 LEU 58 HB2 0.0012 0.0023 0.0009 444 LEU 58 HB3 0.0011 0.0024 0.0009 445 LEU 58 HG -0.0009 0.0027 0.0015 446 LEU 58 HD11 -0.0020 0.0019 0.0026 447 LEU 58 HD12 -0.0006 0.0011 0.0026 448 LEU 58 HD13 -0.0009 0.0026 0.0016 449 LEU 58 HD21 -0.0002 0.0003 0.0031 450 LEU 58 HD22 -0.0016 0.0012 0.0030 451 LEU 58 HD23 -0.0002 0.0012 0.0024 452 LYS 59 N 0.0011 0.0002 0.0019 453 LYS 59 CA -0.0005 -0.0039 0.0052 454 LYS 59 C 0.0024 -0.0039 0.0092 455 LYS 59 O 0.0011 -0.0065 0.0110 456 LYS 59 CB -0.0019 -0.0065 0.0067 457 LYS 59 CG 0.0013 -0.0051 0.0093 458 LYS 59 CD -0.0004 -0.0076 0.0103 459 LYS 59 CE -0.0022 -0.0120 0.0136 460 LYS 59 NZ 0.0007 -0.0124 0.0180 461 LYS 59 H 0.0015 0.0013 0.0011 462 LYS 59 HA -0.0030 -0.0051 0.0034 463 LYS 59 HB2 -0.0033 -0.0095 0.0089 464 LYS 59 HB3 -0.0040 -0.0064 0.0038 465 LYS 59 HG2 0.0027 -0.0020 0.0072 466 LYS 59 HG3 0.0034 -0.0053 0.0123 467 LYS 59 HD2 -0.0027 -0.0076 0.0072 468 LYS 59 HD3 0.0019 -0.0063 0.0117 469 LYS 59 HE2 -0.0045 -0.0133 0.0122 470 LYS 59 HE3 -0.0036 -0.0136 0.0139 471 LYS 59 HZ1 0.0028 -0.0113 0.0195 472 LYS 59 HZ2 -0.0007 -0.0154 0.0201 473 LYS 59 HZ3 0.0021 -0.0108 0.0180 474 THR 60 N 0.0039 -0.0037 0.0073 475 THR 60 CA 0.0044 -0.0049 0.0071 476 THR 60 C 0.0028 -0.0056 0.0070 477 THR 60 O 0.0027 -0.0070 0.0068 478 THR 60 CB 0.0055 -0.0042 0.0072 479 THR 60 OG1 0.0070 -0.0036 0.0073 480 THR 60 CG2 0.0060 -0.0055 0.0071 481 THR 60 H 0.0043 -0.0026 0.0074 482 THR 60 HA 0.0049 -0.0059 0.0070 483 THR 60 HB 0.0049 -0.0032 0.0073 484 THR 60 HG1 0.0067 -0.0027 0.0074 485 THR 60 HG21 0.0068 -0.0049 0.0072 486 THR 60 HG22 0.0066 -0.0065 0.0070 487 THR 60 HG23 0.0049 -0.0059 0.0070 488 HIS 61 N 0.0013 -0.0014 0.0036 489 HIS 61 CA 0.0013 -0.0008 0.0026 490 HIS 61 C 0.0017 -0.0012 0.0016 491 HIS 61 O 0.0016 -0.0006 0.0008 492 HIS 61 CB 0.0013 -0.0008 0.0025 493 HIS 61 CG 0.0014 -0.0005 0.0013 494 HIS 61 ND1 0.0010 0.0004 0.0007 495 HIS 61 CD2 0.0019 -0.0011 0.0006 496 HIS 61 CE1 0.0013 0.0003 -0.0003 497 HIS 61 NE2 0.0018 -0.0006 -0.0004 498 HIS 61 H 0.0014 -0.0017 0.0041 499 HIS 61 HA 0.0009 -0.0001 0.0027 500 HIS 61 HB2 0.0009 -0.0002 0.0029 501 HIS 61 HB3 0.0016 -0.0015 0.0028 502 HIS 61 HD1 0.0007 0.0010 0.0010 503 HIS 61 HD2 0.0022 -0.0019 0.0008 504 HIS 61 HE1 0.0012 0.0009 -0.0010 505 PHE 62 N 0.0001 -0.0019 0.0007 506 PHE 62 CA 0.0000 -0.0021 0.0005 507 PHE 62 C 0.0000 -0.0021 0.0008 508 PHE 62 O -0.0000 -0.0023 0.0007 509 PHE 62 CB -0.0000 -0.0025 0.0004 510 PHE 62 CG -0.0001 -0.0025 0.0002 511 PHE 62 CD1 -0.0001 -0.0023 -0.0002 512 PHE 62 CD2 -0.0001 -0.0027 0.0003 513 PHE 62 CE1 -0.0001 -0.0023 -0.0004 514 PHE 62 CE2 -0.0001 -0.0027 0.0001 515 PHE 62 CZ -0.0001 -0.0025 -0.0002 516 PHE 62 H 0.0001 -0.0020 0.0008 517 PHE 62 HA 0.0000 -0.0019 0.0003 518 PHE 62 HB2 -0.0001 -0.0027 0.0006 519 PHE 62 HB3 -0.0001 -0.0026 0.0002 520 PHE 62 HD1 -0.0000 -0.0021 -0.0003 521 PHE 62 HD2 -0.0001 -0.0029 0.0005 522 PHE 62 HE1 -0.0001 -0.0021 -0.0006 523 PHE 62 HE2 -0.0001 -0.0029 0.0002 524 PHE 62 HZ -0.0001 -0.0025 -0.0004 525 ARG 63 N -0.0017 -0.0033 0.0055 526 ARG 63 CA -0.0019 -0.0030 -0.0013 527 ARG 63 C -0.0061 -0.0035 -0.0059 528 ARG 63 O -0.0072 -0.0034 -0.0118 529 ARG 63 CB -0.0042 -0.0034 -0.0015 530 ARG 63 CG 0.0007 -0.0027 0.0018 531 ARG 63 CD -0.0018 -0.0031 0.0016 532 ARG 63 NE -0.0030 -0.0030 -0.0053 533 ARG 63 CZ -0.0042 -0.0031 -0.0070 534 ARG 63 NH1 -0.0039 -0.0033 -0.0025 535 ARG 63 NH2 -0.0055 -0.0030 -0.0133 536 ARG 63 H -0.0043 -0.0039 0.0090 537 ARG 63 HA 0.0031 -0.0021 -0.0031 538 ARG 63 HB2 -0.0089 -0.0043 0.0010 539 ARG 63 HB3 -0.0048 -0.0032 -0.0067 540 ARG 63 HG2 0.0053 -0.0019 -0.0008 541 ARG 63 HG3 0.0014 -0.0029 0.0069 542 ARG 63 HD2 0.0019 -0.0026 0.0038 543 ARG 63 HD3 -0.0063 -0.0040 0.0044 544 ARG 63 HE -0.0031 -0.0029 -0.0087 545 ARG 63 HH11 -0.0028 -0.0033 0.0023 546 ARG 63 HH12 -0.0048 -0.0034 -0.0037 547 ARG 63 HH21 -0.0057 -0.0029 -0.0169 548 ARG 63 HH22 -0.0065 -0.0031 -0.0149 549 SER 64 N 0.0010 -0.0016 -0.0053 550 SER 64 CA 0.0018 -0.0006 -0.0054 551 SER 64 C 0.0035 0.0007 -0.0055 552 SER 64 O 0.0050 0.0001 -0.0050 553 SER 64 CB 0.0027 -0.0019 -0.0048 554 SER 64 OG 0.0013 -0.0034 -0.0046 555 SER 64 H 0.0014 -0.0029 -0.0048 556 SER 64 HA 0.0008 0.0002 -0.0059 557 SER 64 HB2 0.0039 -0.0025 -0.0044 558 SER 64 HB3 0.0031 -0.0012 -0.0050 559 SER 64 HG 0.0003 -0.0030 -0.0050 560 LYS 65 N 0.0028 -0.0015 -0.0087 561 LYS 65 CA 0.0044 0.0028 -0.0069 562 LYS 65 C 0.0075 0.0024 -0.0029 563 LYS 65 O 0.0092 0.0049 -0.0008 564 LYS 65 CB 0.0029 0.0065 -0.0088 565 LYS 65 CG 0.0021 0.0054 -0.0098 566 LYS 65 CD 0.0046 0.0046 -0.0066 567 LYS 65 CE 0.0037 0.0035 -0.0078 568 LYS 65 NZ 0.0061 0.0024 -0.0047 569 LYS 65 H 0.0012 -0.0020 -0.0107 570 LYS 65 HA 0.0043 0.0038 -0.0070 571 LYS 65 HB2 0.0043 0.0094 -0.0072 572 LYS 65 HB3 0.0010 0.0075 -0.0112 573 LYS 65 HG2 0.0010 0.0082 -0.0113 574 LYS 65 HG3 0.0008 0.0024 -0.0115 575 LYS 65 HD2 0.0058 0.0018 -0.0051 576 LYS 65 HD3 0.0059 0.0076 -0.0051 577 LYS 65 HE2 0.0027 0.0063 -0.0092 578 LYS 65 HE3 0.0022 0.0006 -0.0095 579 LYS 65 HZ1 0.0075 0.0050 -0.0030 580 LYS 65 HZ2 0.0071 -0.0005 -0.0034 581 LYS 65 HZ3 0.0054 0.0017 -0.0056 582 ASP 66 N 0.0093 0.0014 -0.0021 583 ASP 66 CA 0.0100 0.0013 -0.0014 584 ASP 66 C 0.0103 0.0009 -0.0014 585 ASP 66 O 0.0107 0.0011 -0.0007 586 ASP 66 CB 0.0106 0.0007 -0.0012 587 ASP 66 CG 0.0113 0.0006 -0.0004 588 ASP 66 OD1 0.0114 0.0012 0.0002 589 ASP 66 OD2 0.0118 0.0001 -0.0002 590 ASP 66 H 0.0093 0.0010 -0.0025 591 ASP 66 HA 0.0100 0.0019 -0.0009 592 ASP 66 HB2 0.0103 0.0009 -0.0013 593 ASP 66 HB3 0.0107 0.0000 -0.0016 594 HIS 67 N 0.0088 0.0020 -0.0013 595 HIS 67 CA 0.0087 0.0020 -0.0019 596 HIS 67 C 0.0079 0.0024 -0.0018 597 HIS 67 O 0.0079 0.0025 -0.0016 598 HIS 67 CB 0.0088 0.0017 -0.0030 599 HIS 67 CG 0.0088 0.0016 -0.0037 600 HIS 67 ND1 0.0092 0.0014 -0.0034 601 HIS 67 CD2 0.0086 0.0014 -0.0046 602 HIS 67 CE1 0.0093 0.0012 -0.0042 603 HIS 67 NE2 0.0090 0.0012 -0.0049 604 HIS 67 H 0.0089 0.0020 -0.0016 605 HIS 67 HA 0.0093 0.0017 -0.0017 606 HIS 67 HB2 0.0094 0.0014 -0.0031 607 HIS 67 HB3 0.0082 0.0020 -0.0032 608 HIS 67 HD1 0.0093 0.0015 -0.0028 609 HIS 67 HD2 0.0082 0.0016 -0.0049 610 HIS 67 HE1 0.0096 0.0010 -0.0043 611 LYS 68 N 0.0072 0.0004 -0.0017 612 LYS 68 CA 0.0057 0.0006 -0.0018 613 LYS 68 C 0.0070 0.0028 0.0000 614 LYS 68 O 0.0072 0.0028 0.0000 615 LYS 68 CB 0.0022 0.0009 -0.0021 616 LYS 68 CG 0.0009 -0.0013 -0.0039 617 LYS 68 CD -0.0027 -0.0009 -0.0041 618 LYS 68 CE -0.0036 0.0018 -0.0024 619 LYS 68 NZ -0.0071 0.0022 -0.0027 620 LYS 68 H 0.0059 0.0009 -0.0015 621 LYS 68 HA 0.0064 -0.0012 -0.0030 622 LYS 68 HB2 0.0015 0.0028 -0.0009 623 LYS 68 HB3 0.0010 0.0008 -0.0024 624 LYS 68 HG2 0.0017 -0.0033 -0.0052 625 LYS 68 HG3 0.0020 -0.0013 -0.0037 626 LYS 68 HD2 -0.0038 -0.0008 -0.0043 627 LYS 68 HD3 -0.0035 -0.0025 -0.0054 628 LYS 68 HE2 -0.0024 0.0017 -0.0022 629 LYS 68 HE3 -0.0029 0.0034 -0.0012 630 LYS 68 HZ1 -0.0084 0.0022 -0.0029 631 LYS 68 HZ2 -0.0077 0.0039 -0.0015 632 LYS 68 HZ3 -0.0078 0.0006 -0.0039 633 LYS 69 N 0.0115 0.0036 -0.0007 634 LYS 69 CA 0.0101 0.0019 -0.0022 635 LYS 69 C 0.0071 0.0026 -0.0003 636 LYS 69 O 0.0069 0.0025 -0.0003 637 LYS 69 CB 0.0088 -0.0004 -0.0045 638 LYS 69 CG 0.0063 -0.0023 -0.0059 639 LYS 69 CD 0.0051 -0.0043 -0.0078 640 LYS 69 CE 0.0025 -0.0064 -0.0093 641 LYS 69 NZ 0.0014 -0.0082 -0.0110 642 LYS 69 H 0.0115 0.0031 -0.0014 643 LYS 69 HA 0.0120 0.0018 -0.0031 644 LYS 69 HB2 0.0109 -0.0010 -0.0060 645 LYS 69 HB3 0.0075 -0.0001 -0.0036 646 LYS 69 HG2 0.0043 -0.0016 -0.0042 647 LYS 69 HG3 0.0076 -0.0029 -0.0070 648 LYS 69 HD2 0.0073 -0.0049 -0.0093 649 LYS 69 HD3 0.0041 -0.0037 -0.0066 650 LYS 69 HE2 0.0003 -0.0059 -0.0078 651 LYS 69 HE3 0.0035 -0.0072 -0.0106 652 LYS 69 HZ1 -0.0005 -0.0097 -0.0120 653 LYS 69 HZ2 0.0004 -0.0074 -0.0097 654 LYS 69 HZ3 0.0035 -0.0087 -0.0124 655 ARG 70 N 0.0109 -0.0011 -0.0000 656 ARG 70 CA 0.0059 0.0007 0.0009 657 ARG 70 C 0.0043 0.0052 0.0013 658 ARG 70 O -0.0003 0.0060 0.0021 659 ARG 70 CB 0.0061 0.0023 0.0009 660 ARG 70 CG 0.0009 0.0037 0.0019 661 ARG 70 CD -0.0029 -0.0008 0.0025 662 ARG 70 NE -0.0079 0.0005 0.0034 663 ARG 70 CZ -0.0123 -0.0016 0.0042 664 ARG 70 NH1 -0.0122 -0.0052 0.0041 665 ARG 70 NH2 -0.0167 -0.0002 0.0050 666 ARG 70 H 0.0139 -0.0006 -0.0006 667 ARG 70 HA 0.0033 -0.0025 0.0013 668 ARG 70 HB2 0.0079 -0.0008 0.0005 669 ARG 70 HB3 0.0085 0.0057 0.0005 670 ARG 70 HG2 0.0013 0.0047 0.0018 671 ARG 70 HG3 -0.0006 0.0070 0.0022 672 ARG 70 HD2 -0.0032 -0.0019 0.0025 673 ARG 70 HD3 -0.0014 -0.0041 0.0021 674 ARG 70 HE -0.0081 0.0030 0.0035 675 ARG 70 HH11 -0.0089 -0.0064 0.0035 676 ARG 70 HH12 -0.0154 -0.0067 0.0046 677 ARG 70 HH21 -0.0169 0.0024 0.0051 678 ARG 70 HH22 -0.0201 -0.0016 0.0056 679 LEU 71 N 0.0066 0.0039 0.0027 680 LEU 71 CA 0.0056 0.0040 0.0017 681 LEU 71 C 0.0043 0.0040 0.0024 682 LEU 71 O 0.0036 0.0041 0.0019 683 LEU 71 CB 0.0054 0.0041 0.0010 684 LEU 71 CG 0.0066 0.0042 0.0003 685 LEU 71 CD1 0.0062 0.0043 -0.0005 686 LEU 71 CD2 0.0072 0.0042 -0.0006 687 LEU 71 H 0.0069 0.0039 0.0029 688 LEU 71 HA 0.0059 0.0041 0.0011 689 LEU 71 HB2 0.0051 0.0041 0.0017 690 LEU 71 HB3 0.0046 0.0042 0.0003 691 LEU 71 HG 0.0073 0.0041 0.0010 692 LEU 71 HD11 0.0055 0.0043 -0.0012 693 LEU 71 HD12 0.0058 0.0042 0.0002 694 LEU 71 HD13 0.0071 0.0043 -0.0010 695 LEU 71 HD21 0.0076 0.0042 -0.0001 696 LEU 71 HD22 0.0065 0.0043 -0.0013 697 LEU 71 HD23 0.0080 0.0043 -0.0011 698 LYS 72 N 0.0002 0.0018 -0.0000 699 LYS 72 CA 0.0002 0.0041 0.0008 700 LYS 72 C 0.0021 0.0043 0.0027 701 LYS 72 O 0.0026 0.0054 0.0036 702 LYS 72 CB -0.0009 0.0057 0.0004 703 LYS 72 CG -0.0010 0.0081 0.0012 704 LYS 72 CD -0.0023 0.0097 0.0005 705 LYS 72 CE -0.0024 0.0121 0.0013 706 LYS 72 NZ -0.0037 0.0136 0.0007 707 LYS 72 H -0.0005 0.0016 -0.0008 708 LYS 72 HA -0.0002 0.0043 0.0005 709 LYS 72 HB2 -0.0022 0.0055 -0.0010 710 LYS 72 HB3 -0.0005 0.0054 0.0007 711 LYS 72 HG2 0.0002 0.0085 0.0025 712 LYS 72 HG3 -0.0014 0.0085 0.0009 713 LYS 72 HD2 -0.0036 0.0093 -0.0008 714 LYS 72 HD3 -0.0019 0.0094 0.0008 715 LYS 72 HE2 -0.0012 0.0124 0.0026 716 LYS 72 HE3 -0.0028 0.0124 0.0011 717 LYS 72 HZ1 -0.0034 0.0134 0.0009 718 LYS 72 HZ2 -0.0050 0.0133 -0.0006 719 LYS 72 HZ3 -0.0038 0.0153 0.0013 720 GLN 73 N 0.0006 0.0033 0.0028 721 GLN 73 CA -0.0022 0.0022 0.0038 722 GLN 73 C -0.0041 0.0045 0.0051 723 GLN 73 O -0.0061 0.0046 0.0060 724 GLN 73 CB -0.0028 -0.0002 0.0035 725 GLN 73 CG -0.0011 -0.0028 0.0023 726 GLN 73 CD -0.0017 -0.0051 0.0020 727 GLN 73 OE1 -0.0024 -0.0045 0.0024 728 GLN 73 NE2 -0.0014 -0.0077 0.0013 729 GLN 73 H 0.0017 0.0027 0.0022 730 GLN 73 HA -0.0025 0.0013 0.0038 731 GLN 73 HB2 -0.0024 0.0006 0.0035 732 GLN 73 HB3 -0.0049 -0.0010 0.0043 733 GLN 73 HG2 -0.0016 -0.0037 0.0023 734 GLN 73 HG3 0.0010 -0.0020 0.0015 735 GLN 73 HE21 -0.0008 -0.0080 0.0010 736 GLN 73 HE22 -0.0017 -0.0092 0.0011 737 LEU 74 N -0.0046 0.0001 -0.0008 738 LEU 74 CA -0.0071 0.0037 -0.0005 739 LEU 74 C -0.0066 0.0052 -0.0001 740 LEU 74 O -0.0091 0.0077 0.0000 741 LEU 74 CB -0.0062 0.0070 0.0004 742 LEU 74 CG -0.0088 0.0109 0.0007 743 LEU 74 CD1 -0.0133 0.0100 -0.0002 744 LEU 74 CD2 -0.0074 0.0139 0.0016 745 LEU 74 H -0.0021 0.0003 -0.0003 746 LEU 74 HA -0.0102 0.0029 -0.0012 747 LEU 74 HB2 -0.0062 0.0057 0.0001 748 LEU 74 HB3 -0.0031 0.0077 0.0010 749 LEU 74 HG -0.0086 0.0123 0.0011 750 LEU 74 HD11 -0.0151 0.0128 0.0001 751 LEU 74 HD12 -0.0136 0.0085 -0.0006 752 LEU 74 HD13 -0.0143 0.0081 -0.0008 753 LEU 74 HD21 -0.0076 0.0125 0.0013 754 LEU 74 HD22 -0.0093 0.0166 0.0018 755 LEU 74 HD23 -0.0043 0.0146 0.0023 756 SER 75 N 0.0003 0.0033 -0.0002 757 SER 75 CA 0.0006 0.0002 0.0000 758 SER 75 C 0.0009 0.0008 0.0019 759 SER 75 O 0.0010 -0.0011 0.0016 760 SER 75 CB 0.0002 -0.0014 -0.0034 761 SER 75 OG 0.0005 -0.0045 -0.0032 762 SER 75 H 0.0005 0.0036 0.0013 763 SER 75 HA 0.0011 -0.0014 0.0015 764 SER 75 HB2 0.0000 -0.0018 -0.0045 765 SER 75 HB3 -0.0002 0.0002 -0.0049 766 SER 75 HG 0.0004 -0.0060 -0.0046 767 VAL 76 N 0.0010 0.0021 0.0009 768 VAL 76 CA 0.0013 0.0027 0.0012 769 VAL 76 C 0.0007 0.0006 0.0029 770 VAL 76 O 0.0001 -0.0005 0.0019 771 VAL 76 CB 0.0026 0.0052 0.0026 772 VAL 76 CG1 0.0030 0.0058 0.0029 773 VAL 76 CG2 0.0033 0.0073 0.0010 774 VAL 76 H 0.0016 0.0031 0.0017 775 VAL 76 HA 0.0011 0.0029 -0.0008 776 VAL 76 HB 0.0029 0.0050 0.0045 777 VAL 76 HG11 0.0039 0.0076 0.0038 778 VAL 76 HG12 0.0027 0.0060 0.0010 779 VAL 76 HG13 0.0026 0.0043 0.0041 780 VAL 76 HG21 0.0042 0.0090 0.0019 781 VAL 76 HG22 0.0031 0.0069 0.0008 782 VAL 76 HG23 0.0030 0.0075 -0.0010 783 GLU 77 N -0.0017 -0.0043 0.0004 784 GLU 77 CA -0.0043 -0.0046 0.0007 785 GLU 77 C -0.0053 -0.0029 0.0025 786 GLU 77 O -0.0056 -0.0016 0.0037 787 GLU 77 CB -0.0056 -0.0056 0.0002 788 GLU 77 CG -0.0049 -0.0045 0.0009 789 GLU 77 CD -0.0063 -0.0054 0.0005 790 GLU 77 OE1 -0.0058 -0.0069 -0.0009 791 GLU 77 OE2 -0.0080 -0.0047 0.0016 792 GLU 77 H -0.0011 -0.0030 0.0013 793 GLU 77 HA -0.0046 -0.0056 -0.0001 794 GLU 77 HB2 -0.0075 -0.0056 0.0007 795 GLU 77 HB3 -0.0052 -0.0070 -0.0011 796 GLU 77 HG2 -0.0030 -0.0045 0.0005 797 GLU 77 HG3 -0.0052 -0.0031 0.0023 798 PRO 78 N -0.0045 -0.0071 0.0048 799 PRO 78 CA -0.0054 -0.0020 0.0041 800 PRO 78 C -0.0112 -0.0029 0.0056 801 PRO 78 O -0.0120 -0.0079 0.0066 802 PRO 78 CB 0.0003 -0.0025 0.0030 803 PRO 78 CG 0.0048 -0.0066 0.0026 804 PRO 78 CD 0.0011 -0.0109 0.0042 805 PRO 78 HA -0.0056 0.0025 0.0034 806 PRO 78 HB2 -0.0010 -0.0046 0.0036 807 PRO 78 HB3 0.0020 0.0020 0.0018 808 PRO 78 HG2 0.0077 -0.0092 0.0024 809 PRO 78 HG3 0.0076 -0.0038 0.0015 810 PRO 78 HD2 -0.0001 -0.0149 0.0052 811 PRO 78 HD3 0.0035 -0.0122 0.0039 812 TYR 79 N -0.0174 -0.0023 0.0064 813 TYR 79 CA -0.0217 -0.0011 0.0024 814 TYR 79 C -0.0269 -0.0074 0.0037 815 TYR 79 O -0.0258 -0.0106 0.0071 816 TYR 79 CB -0.0179 0.0030 0.0018 817 TYR 79 CG -0.0134 0.0096 -0.0003 818 TYR 79 CD1 -0.0069 0.0109 0.0032 819 TYR 79 CD2 -0.0158 0.0145 -0.0060 820 TYR 79 CE1 -0.0030 0.0169 0.0013 821 TYR 79 CE2 -0.0119 0.0206 -0.0080 822 TYR 79 CZ -0.0054 0.0217 -0.0044 823 TYR 79 OH -0.0014 0.0278 -0.0064 824 TYR 79 H -0.0178 -0.0009 0.0050 825 TYR 79 HA -0.0244 0.0014 -0.0016 826 TYR 79 HB2 -0.0148 0.0007 0.0059 827 TYR 79 HB3 -0.0214 0.0034 -0.0010 828 TYR 79 HD1 -0.0050 0.0071 0.0077 829 TYR 79 HD2 -0.0209 0.0136 -0.0089 830 TYR 79 HE1 0.0021 0.0178 0.0042 831 TYR 79 HE2 -0.0138 0.0244 -0.0125 832 TYR 79 HH -0.0041 0.0291 -0.0094 833 SER 80 N -0.0220 -0.0032 0.0007 834 SER 80 CA -0.0208 -0.0034 -0.0007 835 SER 80 C -0.0218 -0.0033 0.0003 836 SER 80 O -0.0238 -0.0033 0.0017 837 SER 80 CB -0.0179 -0.0026 -0.0004 838 SER 80 OG -0.0165 -0.0028 -0.0019 839 SER 80 H -0.0214 -0.0026 0.0023 840 SER 80 HA -0.0211 -0.0041 -0.0026 841 SER 80 HB2 -0.0173 -0.0027 -0.0010 842 SER 80 HB3 -0.0176 -0.0020 0.0015 843 SER 80 HG -0.0164 -0.0032 -0.0035 844 GLN 81 N -0.0165 -0.0088 0.0038 845 GLN 81 CA -0.0155 -0.0088 0.0058 846 GLN 81 C -0.0156 -0.0093 0.0048 847 GLN 81 O -0.0169 -0.0089 0.0029 848 GLN 81 CB -0.0163 -0.0067 0.0076 849 GLN 81 CG -0.0152 -0.0067 0.0099 850 GLN 81 CD -0.0160 -0.0046 0.0117 851 GLN 81 OE1 -0.0176 -0.0030 0.0111 852 GLN 81 NE2 -0.0149 -0.0046 0.0139 853 GLN 81 H -0.0176 -0.0075 0.0036 854 GLN 81 HA -0.0142 -0.0100 0.0066 855 GLN 81 HB2 -0.0165 -0.0062 0.0081 856 GLN 81 HB3 -0.0176 -0.0055 0.0069 857 GLN 81 HG2 -0.0150 -0.0073 0.0094 858 GLN 81 HG3 -0.0140 -0.0077 0.0107 859 GLN 81 HE21 -0.0137 -0.0060 0.0143 860 GLN 81 HE22 -0.0154 -0.0033 0.0151 861 GLU 82 N -0.0161 -0.0040 -0.0028 862 GLU 82 CA -0.0174 -0.0017 -0.0056 863 GLU 82 C -0.0131 -0.0031 -0.0104 864 GLU 82 O -0.0133 -0.0017 -0.0132 865 GLU 82 CB -0.0219 0.0031 -0.0075 866 GLU 82 CG -0.0236 0.0058 -0.0102 867 GLU 82 CD -0.0281 0.0103 -0.0116 868 GLU 82 OE1 -0.0281 0.0122 -0.0158 869 GLU 82 OE2 -0.0319 0.0121 -0.0085 870 GLU 82 H -0.0153 -0.0063 0.0007 871 GLU 82 HA -0.0180 -0.0026 -0.0024 872 GLU 82 HB2 -0.0247 0.0038 -0.0039 873 GLU 82 HB3 -0.0213 0.0039 -0.0104 874 GLU 82 HG2 -0.0210 0.0053 -0.0141 875 GLU 82 HG3 -0.0241 0.0050 -0.0074 876 GLU 83 N -0.0130 -0.0061 -0.0160 877 GLU 83 CA -0.0045 -0.0070 -0.0225 878 GLU 83 C 0.0088 -0.0033 -0.0149 879 GLU 83 O 0.0200 -0.0036 -0.0204 880 GLU 83 CB -0.0126 -0.0083 -0.0238 881 GLU 83 CG -0.0047 -0.0093 -0.0304 882 GLU 83 CD -0.0136 -0.0110 -0.0327 883 GLU 83 OE1 -0.0168 -0.0086 -0.0233 884 GLU 83 OE2 -0.0176 -0.0148 -0.0442 885 GLU 83 H -0.0152 -0.0036 -0.0065 886 GLU 83 HA -0.0018 -0.0095 -0.0323 887 GLU 83 HB2 -0.0216 -0.0110 -0.0295 888 GLU 83 HB3 -0.0159 -0.0058 -0.0139 889 GLU 83 HG2 0.0037 -0.0065 -0.0241 890 GLU 83 HG3 -0.0005 -0.0116 -0.0398 891 ALA 84 N -0.0011 -0.0069 -0.0102 892 ALA 84 CA 0.0123 -0.0041 -0.0009 893 ALA 84 C 0.0149 -0.0005 0.0104 894 ALA 84 O 0.0225 0.0031 0.0218 895 ALA 84 CB 0.0101 -0.0017 0.0063 896 ALA 84 H -0.0115 -0.0055 -0.0064 897 ALA 84 HA 0.0222 -0.0064 -0.0080 898 ALA 84 HB1 0.0200 0.0004 0.0132 899 ALA 84 HB2 -0.0002 0.0005 0.0129 900 ALA 84 HB3 0.0094 -0.0044 -0.0021 901 GLU 85 N 0.0106 -0.0090 0.0047 902 GLU 85 CA 0.0077 -0.0088 0.0117 903 GLU 85 C 0.0007 -0.0076 0.0050 904 GLU 85 O -0.0086 -0.0063 0.0037 905 GLU 85 CB 0.0019 -0.0084 0.0213 906 GLU 85 CG 0.0002 -0.0086 0.0303 907 GLU 85 CD -0.0080 -0.0074 0.0284 908 GLU 85 OE1 -0.0175 -0.0062 0.0306 909 GLU 85 OE2 -0.0053 -0.0076 0.0248 910 GLU 85 H 0.0072 -0.0082 -0.0021 911 GLU 85 HA 0.0147 -0.0099 0.0141 912 GLU 85 HB2 0.0063 -0.0092 0.0243 913 GLU 85 HB3 -0.0058 -0.0073 0.0187 914 GLU 85 HG2 0.0078 -0.0096 0.0301 915 GLU 85 HG3 -0.0010 -0.0087 0.0376 916 ARG 86 N 0.0117 -0.0073 -0.0158 917 ARG 86 CA 0.0177 -0.0108 -0.0106 918 ARG 86 C 0.0197 -0.0103 -0.0153 919 ARG 86 O 0.0139 -0.0071 -0.0200 920 ARG 86 CB 0.0140 -0.0121 0.0004 921 ARG 86 CG 0.0034 -0.0087 0.0024 922 ARG 86 CD -0.0000 -0.0065 -0.0014 923 ARG 86 NE -0.0103 -0.0031 0.0001 924 ARG 86 CZ -0.0156 -0.0002 -0.0040 925 ARG 86 NH1 -0.0117 -0.0003 -0.0096 926 ARG 86 NH2 -0.0249 0.0028 -0.0025 927 ARG 86 H 0.0055 -0.0047 -0.0173 928 ARG 86 HA 0.0244 -0.0131 -0.0108 929 ARG 86 HB2 0.0176 -0.0141 0.0036 930 ARG 86 HB3 0.0158 -0.0136 0.0040 931 ARG 86 HG2 0.0017 -0.0100 0.0102 932 ARG 86 HG3 -0.0003 -0.0066 -0.0008 933 ARG 86 HD2 0.0021 -0.0055 -0.0090 934 ARG 86 HD3 0.0031 -0.0086 0.0025 935 ARG 86 HE -0.0134 -0.0031 0.0044 936 ARG 86 HH11 -0.0047 -0.0025 -0.0110 937 ARG 86 HH12 -0.0156 0.0019 -0.0127 938 ARG 86 HH21 -0.0281 0.0029 0.0017 939 ARG 86 HH22 -0.0291 0.0051 -0.0055 940 ALA 87 N 0.0075 -0.0071 0.0011 941 ALA 87 CA 0.0104 -0.0074 -0.0023 942 ALA 87 C 0.0090 -0.0087 0.0080 943 ALA 87 O 0.0153 -0.0109 0.0098 944 ALA 87 CB 0.0224 -0.0101 -0.0069 945 ALA 87 H 0.0129 -0.0094 0.0054 946 ALA 87 HA 0.0051 -0.0048 -0.0089 947 ALA 87 HB1 0.0277 -0.0127 -0.0003 948 ALA 87 HB2 0.0233 -0.0092 -0.0142 949 ALA 87 HB3 0.0247 -0.0104 -0.0092 950 ALA 88 N -0.0147 0.0038 0.0251 951 ALA 88 CA -0.0101 0.0090 0.0035 952 ALA 88 C 0.0157 -0.0113 0.0052 953 ALA 88 O 0.0374 -0.0207 -0.0125 954 ALA 88 CB -0.0096 0.0220 -0.0295 955 ALA 88 H 0.0002 -0.0076 0.0253 956 ALA 88 HA -0.0265 0.0187 0.0106 957 ALA 88 HB1 0.0069 0.0125 -0.0370 958 ALA 88 HB2 -0.0283 0.0364 -0.0300 959 ALA 88 HB3 -0.0067 0.0260 -0.0450 960 GLY 89 N 0.0227 -0.0164 0.0326 961 GLY 89 CA 0.0328 -0.0239 0.0346 962 GLY 89 C 0.0216 -0.0247 0.0441 963 GLY 89 O 0.0102 -0.0145 0.0396 964 GLY 89 H 0.0109 -0.0148 0.0395 965 GLY 89 HA2 0.0398 -0.0191 0.0232 966 GLY 89 HA3 0.0416 -0.0337 0.0405 967 MET 90 N -0.0105 0.0136 -0.0363 968 MET 90 CA -0.0043 0.0130 -0.0236 969 MET 90 C 0.0031 0.0035 -0.0273 970 MET 90 O -0.0001 0.0048 -0.0317 971 MET 90 CB -0.0117 0.0244 -0.0158 972 MET 90 CG -0.0061 0.0256 -0.0008 973 MET 90 SD 0.0034 0.0162 0.0002 974 MET 90 CE 0.0070 0.0209 0.0185 975 MET 90 H -0.0094 0.0123 -0.0365 976 MET 90 HA 0.0008 0.0109 -0.0168 977 MET 90 HB2 -0.0174 0.0309 -0.0149 978 MET 90 HB3 -0.0160 0.0259 -0.0222 979 MET 90 HG2 -0.0018 0.0241 0.0057 980 MET 90 HG3 -0.0122 0.0341 0.0036 981 MET 90 HE1 0.0106 0.0201 0.0247 982 MET 90 HE2 0.0127 0.0160 0.0207 983 MET 90 HE3 -0.0000 0.0296 0.0212 984 GLY 91 N -0.0637 -0.0176 0.0438 985 GLY 91 CA -0.0266 -0.0102 -0.0092 986 GLY 91 C 0.0075 -0.0112 0.0173 987 GLY 91 O 0.0694 -0.0086 0.0233 988 GLY 91 H -0.0395 -0.0205 0.0847 989 GLY 91 HA2 -0.0608 -0.0079 -0.0496 990 GLY 91 HA3 0.0115 -0.0064 -0.0277 991 SER 92 N 0.0503 -0.0199 0.0106 992 SER 92 CA 0.0560 -0.0130 0.0038 993 SER 92 C 0.0666 -0.0203 0.0040 994 SER 92 O 0.0757 -0.0260 0.0038 995 SER 92 CB 0.0605 -0.0040 -0.0038 996 SER 92 OG 0.0503 0.0026 -0.0038 997 SER 92 H 0.0553 -0.0240 0.0111 998 SER 92 HA 0.0490 -0.0088 0.0040 999 SER 92 HB2 0.0675 -0.0082 -0.0041 1000 SER 92 HB3 0.0643 0.0015 -0.0090 1001 SER 92 HG 0.0436 -0.0014 0.0016 1002 TYR 93 N -0.1301 0.0928 0.0215 1003 TYR 93 CA -0.0891 0.0656 0.0336 1004 TYR 93 C -0.0337 0.0719 0.0859 1005 TYR 93 O -0.0266 0.0834 0.1016 1006 TYR 93 CB -0.0782 0.0004 -0.0113 1007 TYR 93 CG -0.0425 -0.0323 -0.0082 1008 TYR 93 CD1 -0.0687 -0.0329 -0.0310 1009 TYR 93 CD2 0.0170 -0.0623 0.0173 1010 TYR 93 CE1 -0.0370 -0.0621 -0.0284 1011 TYR 93 CE2 0.0491 -0.0917 0.0201 1012 TYR 93 CZ 0.0219 -0.0915 -0.0029 1013 TYR 93 OH 0.0539 -0.1206 0.0002 1014 TYR 93 H -0.1216 0.0745 0.0134 1015 TYR 93 HA -0.1062 0.0873 0.0372 1016 TYR 93 HB2 -0.1192 -0.0027 -0.0487 1017 TYR 93 HB3 -0.0563 -0.0214 -0.0109 1018 TYR 93 HD1 -0.1151 -0.0098 -0.0511 1019 TYR 93 HD2 0.0383 -0.0623 0.0354 1020 TYR 93 HE1 -0.0583 -0.0620 -0.0464 1021 TYR 93 HE2 0.0954 -0.1148 0.0401 1022 TYR 93 HH 0.0853 -0.1085 0.0368 1023 VAL 94 N 0.2138 0.0558 -0.0568 1024 VAL 94 CA 0.1098 -0.0191 -0.0466 1025 VAL 94 C 0.1010 -0.0344 -0.0471 1026 VAL 94 O 0.0765 0.0546 -0.0287 1027 VAL 94 CB -0.0105 0.0245 -0.0153 1028 VAL 94 CG1 -0.0363 0.1547 0.0094 1029 VAL 94 CG2 -0.1153 -0.0598 -0.0064 1030 VAL 94 H 0.2012 0.1312 -0.0430 1031 VAL 94 HA 0.1276 -0.1080 -0.0636 1032 VAL 94 HB -0.0003 0.0209 -0.0180 1033 VAL 94 HG11 -0.1194 0.1800 0.0303 1034 VAL 94 HG12 -0.0432 0.1625 0.0120 1035 VAL 94 HG13 0.0357 0.2134 0.0034 1036 VAL 94 HG21 -0.1245 -0.0615 -0.0047 1037 VAL 94 HG22 -0.1967 -0.0278 0.0152 1038 VAL 94 HG23 -0.0993 -0.1500 -0.0232