1 ASP 28 N 0.0070 0.0039 0.0017 2 ASP 28 CA 0.0021 0.0025 0.0010 3 ASP 28 C -0.0022 0.0026 0.0005 4 ASP 28 O -0.0026 0.0064 0.0007 5 ASP 28 CB 0.0008 0.0062 0.0011 6 ASP 28 CG -0.0043 0.0049 0.0004 7 ASP 28 OD1 -0.0046 0.0008 0.0002 8 ASP 28 OD2 -0.0078 0.0082 0.0001 9 ASP 28 H 0.0100 0.0040 0.0020 10 ASP 28 HA 0.0025 -0.0015 0.0009 11 ASP 28 HB2 0.0038 0.0061 0.0014 12 ASP 28 HB3 0.0005 0.0101 0.0012 13 PRO 29 N 0.0009 0.0026 -0.0067 14 PRO 29 CA -0.0053 -0.0003 -0.0048 15 PRO 29 C -0.0121 0.0069 -0.0037 16 PRO 29 O -0.0160 0.0109 -0.0031 17 PRO 29 CB -0.0096 -0.0084 -0.0029 18 PRO 29 CG -0.0039 -0.0113 -0.0041 19 PRO 29 CD 0.0006 -0.0031 -0.0061 20 PRO 29 HA -0.0019 -0.0023 -0.0055 21 PRO 29 HB2 -0.0161 -0.0063 -0.0014 22 PRO 29 HB3 -0.0102 -0.0137 -0.0022 23 PRO 29 HG2 -0.0078 -0.0141 -0.0028 24 PRO 29 HG3 0.0009 -0.0163 -0.0049 25 PRO 29 HD2 -0.0031 0.0002 -0.0054 26 PRO 29 HD3 0.0071 -0.0049 -0.0076 27 ASN 30 N -0.0085 0.0043 -0.0035 28 ASN 30 CA -0.0086 0.0039 -0.0002 29 ASN 30 C -0.0067 0.0044 0.0023 30 ASN 30 O -0.0042 0.0053 0.0031 31 ASN 30 CB -0.0079 0.0042 -0.0002 32 ASN 30 CG -0.0079 0.0039 0.0031 33 ASN 30 OD1 -0.0103 0.0029 0.0041 34 ASN 30 ND2 -0.0054 0.0047 0.0048 35 ASN 30 H -0.0103 0.0037 -0.0047 36 ASN 30 HA -0.0110 0.0030 0.0004 37 ASN 30 HB2 -0.0095 0.0037 -0.0018 38 ASN 30 HB3 -0.0057 0.0051 -0.0012 39 ASN 30 HD21 -0.0036 0.0054 0.0039 40 ASN 30 HD22 -0.0054 0.0045 0.0069 41 ALA 31 N -0.0042 0.0103 0.0021 42 ALA 31 CA -0.0042 0.0087 0.0030 43 ALA 31 C -0.0054 0.0088 0.0042 44 ALA 31 O -0.0064 0.0090 0.0052 45 ALA 31 CB -0.0042 0.0078 0.0035 46 ALA 31 H -0.0050 0.0113 0.0024 47 ALA 31 HA -0.0034 0.0081 0.0025 48 ALA 31 HB1 -0.0041 0.0066 0.0041 49 ALA 31 HB2 -0.0050 0.0084 0.0040 50 ALA 31 HB3 -0.0033 0.0077 0.0026 51 GLU 32 N -0.0020 0.0035 0.0013 52 GLU 32 CA -0.0027 0.0020 0.0008 53 GLU 32 C -0.0043 -0.0009 -0.0002 54 GLU 32 O -0.0057 -0.0024 -0.0005 55 GLU 32 CB 0.0001 0.0017 -0.0000 56 GLU 32 CG 0.0025 0.0001 -0.0014 57 GLU 32 CD 0.0052 -0.0002 -0.0022 58 GLU 32 OE1 0.0052 -0.0023 -0.0032 59 GLU 32 OE2 0.0074 0.0017 -0.0019 60 GLU 32 H 0.0001 0.0035 0.0008 61 GLU 32 HA -0.0042 0.0032 0.0018 62 GLU 32 HB2 -0.0005 0.0006 -0.0004 63 GLU 32 HB3 0.0011 0.0038 0.0007 64 GLU 32 HG2 0.0033 0.0012 -0.0010 65 GLU 32 HG3 0.0015 -0.0020 -0.0021 66 PHE 33 N -0.0006 -0.0037 0.0014 67 PHE 33 CA -0.0015 -0.0045 0.0006 68 PHE 33 C -0.0029 -0.0042 0.0011 69 PHE 33 O -0.0031 -0.0032 0.0020 70 PHE 33 CB -0.0006 -0.0050 0.0002 71 PHE 33 CG -0.0002 -0.0041 0.0009 72 PHE 33 CD1 -0.0011 -0.0038 0.0013 73 PHE 33 CD2 0.0012 -0.0036 0.0013 74 PHE 33 CE1 -0.0007 -0.0030 0.0020 75 PHE 33 CE2 0.0016 -0.0028 0.0019 76 PHE 33 CZ 0.0007 -0.0025 0.0023 77 PHE 33 H -0.0002 -0.0031 0.0018 78 PHE 33 HA -0.0016 -0.0052 0.0001 79 PHE 33 HB2 -0.0013 -0.0056 -0.0003 80 PHE 33 HB3 0.0003 -0.0054 -0.0002 81 PHE 33 HD1 -0.0022 -0.0042 0.0010 82 PHE 33 HD2 0.0019 -0.0039 0.0010 83 PHE 33 HE1 -0.0014 -0.0028 0.0022 84 PHE 33 HE2 0.0027 -0.0024 0.0022 85 PHE 33 HZ 0.0010 -0.0019 0.0028 86 ASP 34 N -0.0017 -0.0070 0.0014 87 ASP 34 CA -0.0027 -0.0058 0.0012 88 ASP 34 C -0.0031 -0.0050 0.0019 89 ASP 34 O -0.0028 -0.0054 0.0018 90 ASP 34 CB -0.0035 -0.0060 -0.0003 91 ASP 34 CG -0.0046 -0.0048 -0.0006 92 ASP 34 OD1 -0.0052 -0.0040 -0.0004 93 ASP 34 OD2 -0.0049 -0.0047 -0.0010 94 ASP 34 H -0.0015 -0.0075 0.0008 95 ASP 34 HA -0.0028 -0.0054 0.0017 96 ASP 34 HB2 -0.0032 -0.0066 -0.0008 97 ASP 34 HB3 -0.0035 -0.0062 -0.0008 98 PRO 35 N -0.0048 -0.0050 0.0043 99 PRO 35 CA -0.0062 -0.0038 0.0052 100 PRO 35 C -0.0071 -0.0022 0.0041 101 PRO 35 O -0.0082 -0.0012 0.0048 102 PRO 35 CB -0.0065 -0.0042 0.0067 103 PRO 35 CG -0.0058 -0.0047 0.0059 104 PRO 35 CD -0.0045 -0.0055 0.0046 105 PRO 35 HA -0.0063 -0.0040 0.0058 106 PRO 35 HB2 -0.0076 -0.0032 0.0071 107 PRO 35 HB3 -0.0063 -0.0050 0.0078 108 PRO 35 HG2 -0.0062 -0.0037 0.0052 109 PRO 35 HG3 -0.0056 -0.0054 0.0069 110 PRO 35 HD2 -0.0042 -0.0053 0.0034 111 PRO 35 HD3 -0.0038 -0.0067 0.0052 112 ASP 36 N -0.0046 0.0033 0.0047 113 ASP 36 CA -0.0059 0.0092 0.0015 114 ASP 36 C -0.0056 0.0058 0.0011 115 ASP 36 O -0.0059 0.0101 0.0020 116 ASP 36 CB -0.0078 0.0118 -0.0066 117 ASP 36 CG -0.0091 0.0176 -0.0104 118 ASP 36 OD1 -0.0093 0.0246 -0.0080 119 ASP 36 OD2 -0.0100 0.0153 -0.0160 120 ASP 36 H -0.0049 -0.0012 0.0013 121 ASP 36 HA -0.0056 0.0143 0.0054 122 ASP 36 HB2 -0.0079 0.0145 -0.0060 123 ASP 36 HB3 -0.0080 0.0065 -0.0104 124 LEU 37 N -0.0036 -0.0044 -0.0015 125 LEU 37 CA -0.0035 -0.0064 -0.0020 126 LEU 37 C -0.0015 -0.0072 -0.0018 127 LEU 37 O -0.0003 -0.0065 -0.0012 128 LEU 37 CB -0.0044 -0.0071 -0.0025 129 LEU 37 CG -0.0065 -0.0069 -0.0030 130 LEU 37 CD1 -0.0074 -0.0079 -0.0035 131 LEU 37 CD2 -0.0073 -0.0049 -0.0026 132 LEU 37 H -0.0035 -0.0037 -0.0012 133 LEU 37 HA -0.0043 -0.0068 -0.0024 134 LEU 37 HB2 -0.0038 -0.0063 -0.0021 135 LEU 37 HB3 -0.0039 -0.0085 -0.0028 136 LEU 37 HG -0.0069 -0.0076 -0.0033 137 LEU 37 HD11 -0.0088 -0.0078 -0.0039 138 LEU 37 HD12 -0.0070 -0.0073 -0.0033 139 LEU 37 HD13 -0.0069 -0.0093 -0.0039 140 LEU 37 HD21 -0.0088 -0.0049 -0.0030 141 LEU 37 HD22 -0.0067 -0.0043 -0.0022 142 LEU 37 HD23 -0.0069 -0.0042 -0.0023 143 PRO 38 N -0.0006 -0.0055 -0.0025 144 PRO 38 CA 0.0018 -0.0065 -0.0032 145 PRO 38 C 0.0026 -0.0063 -0.0034 146 PRO 38 O 0.0013 -0.0070 -0.0033 147 PRO 38 CB 0.0014 -0.0090 -0.0038 148 PRO 38 CG -0.0008 -0.0091 -0.0034 149 PRO 38 CD -0.0023 -0.0072 -0.0026 150 PRO 38 HA 0.0031 -0.0055 -0.0033 151 PRO 38 HB2 0.0012 -0.0101 -0.0040 152 PRO 38 HB3 0.0029 -0.0096 -0.0042 153 PRO 38 HG2 -0.0017 -0.0108 -0.0036 154 PRO 38 HG3 -0.0004 -0.0087 -0.0033 155 PRO 38 HD2 -0.0035 -0.0080 -0.0025 156 PRO 38 HD3 -0.0034 -0.0065 -0.0022 157 GLY 39 N 0.0052 -0.0062 -0.0049 158 GLY 39 CA 0.0047 -0.0063 -0.0048 159 GLY 39 C 0.0034 -0.0050 -0.0053 160 GLY 39 O 0.0024 -0.0052 -0.0052 161 GLY 39 H 0.0063 -0.0057 -0.0051 162 GLY 39 HA2 0.0059 -0.0062 -0.0049 163 GLY 39 HA3 0.0042 -0.0075 -0.0043 164 GLY 40 N 0.0017 -0.0060 -0.0027 165 GLY 40 CA 0.0012 -0.0052 -0.0026 166 GLY 40 C 0.0000 -0.0056 -0.0030 167 GLY 40 O -0.0005 -0.0051 -0.0030 168 GLY 40 H 0.0017 -0.0057 -0.0027 169 GLY 40 HA2 0.0010 -0.0043 -0.0024 170 GLY 40 HA3 0.0018 -0.0051 -0.0025 171 GLY 41 N -0.0003 -0.0065 -0.0040 172 GLY 41 CA -0.0010 -0.0069 -0.0042 173 GLY 41 C -0.0005 -0.0071 -0.0044 174 GLY 41 O -0.0009 -0.0073 -0.0046 175 GLY 41 H -0.0002 -0.0068 -0.0043 176 GLY 41 HA2 -0.0014 -0.0074 -0.0046 177 GLY 41 HA3 -0.0015 -0.0064 -0.0039 178 LEU 42 N 0.0002 -0.0069 -0.0054 179 LEU 42 CA 0.0005 -0.0073 -0.0054 180 LEU 42 C 0.0006 -0.0074 -0.0057 181 LEU 42 O 0.0009 -0.0077 -0.0058 182 LEU 42 CB 0.0007 -0.0075 -0.0049 183 LEU 42 CG 0.0006 -0.0075 -0.0045 184 LEU 42 CD1 0.0008 -0.0077 -0.0040 185 LEU 42 CD2 0.0008 -0.0077 -0.0048 186 LEU 42 H 0.0000 -0.0068 -0.0051 187 LEU 42 HA 0.0007 -0.0075 -0.0056 188 LEU 42 HB2 0.0005 -0.0074 -0.0047 189 LEU 42 HB3 0.0009 -0.0078 -0.0049 190 LEU 42 HG 0.0004 -0.0072 -0.0045 191 LEU 42 HD11 0.0008 -0.0076 -0.0037 192 LEU 42 HD12 0.0011 -0.0080 -0.0040 193 LEU 42 HD13 0.0007 -0.0075 -0.0038 194 LEU 42 HD21 0.0011 -0.0080 -0.0048 195 LEU 42 HD22 0.0008 -0.0077 -0.0045 196 LEU 42 HD23 0.0007 -0.0075 -0.0051 197 HIS 43 N 0.0027 -0.0070 -0.0075 198 HIS 43 CA 0.0028 -0.0077 -0.0066 199 HIS 43 C 0.0028 -0.0066 -0.0076 200 HIS 43 O 0.0032 -0.0049 -0.0073 201 HIS 43 CB 0.0034 -0.0072 -0.0044 202 HIS 43 CG 0.0035 -0.0080 -0.0032 203 HIS 43 ND1 0.0033 -0.0099 -0.0025 204 HIS 43 CD2 0.0038 -0.0072 -0.0027 205 HIS 43 CE1 0.0035 -0.0102 -0.0015 206 HIS 43 NE2 0.0038 -0.0085 -0.0016 207 HIS 43 H 0.0030 -0.0056 -0.0076 208 HIS 43 HA 0.0025 -0.0092 -0.0068 209 HIS 43 HB2 0.0037 -0.0057 -0.0043 210 HIS 43 HB3 0.0034 -0.0079 -0.0039 211 HIS 43 HD1 0.0030 -0.0109 -0.0027 212 HIS 43 HD2 0.0040 -0.0057 -0.0030 213 HIS 43 HE1 0.0034 -0.0115 -0.0007 214 HIS 43 HE2 0.0039 -0.0084 -0.0012 215 ARG 44 N -0.0014 0.0026 -0.0115 216 ARG 44 CA -0.0001 0.0014 -0.0089 217 ARG 44 C 0.0004 0.0051 -0.0084 218 ARG 44 O 0.0004 0.0088 -0.0087 219 ARG 44 CB 0.0020 0.0007 -0.0051 220 ARG 44 CG 0.0019 -0.0020 -0.0049 221 ARG 44 CD 0.0041 -0.0021 -0.0009 222 ARG 44 NE 0.0041 -0.0044 -0.0005 223 ARG 44 CZ 0.0059 -0.0054 0.0028 224 ARG 44 NH1 0.0076 -0.0040 0.0059 225 ARG 44 NH2 0.0058 -0.0076 0.0029 226 ARG 44 H -0.0011 0.0053 -0.0112 227 ARG 44 HA -0.0007 -0.0014 -0.0097 228 ARG 44 HB2 0.0028 0.0037 -0.0039 229 ARG 44 HB3 0.0028 -0.0009 -0.0034 230 ARG 44 HG2 0.0013 -0.0052 -0.0057 231 ARG 44 HG3 0.0010 -0.0006 -0.0068 232 ARG 44 HD2 0.0047 0.0011 -0.0000 233 ARG 44 HD3 0.0049 -0.0036 0.0009 234 ARG 44 HE 0.0028 -0.0054 -0.0029 235 ARG 44 HH11 0.0078 -0.0024 0.0060 236 ARG 44 HH12 0.0090 -0.0047 0.0084 237 ARG 44 HH21 0.0045 -0.0086 0.0006 238 ARG 44 HH22 0.0071 -0.0083 0.0053 239 CYS 45 N 0.0047 0.0047 -0.0115 240 CYS 45 CA 0.0049 0.0051 -0.0115 241 CYS 45 C 0.0044 0.0047 -0.0086 242 CYS 45 O 0.0032 0.0027 -0.0077 243 CYS 45 CB 0.0044 0.0034 -0.0135 244 CYS 45 SG 0.0044 0.0035 -0.0132 245 CYS 45 H 0.0039 0.0031 -0.0115 246 CYS 45 HA 0.0059 0.0071 -0.0119 247 CYS 45 HB2 0.0049 0.0040 -0.0156 248 CYS 45 HB3 0.0034 0.0015 -0.0134 249 LEU 46 N 0.0030 0.0176 -0.0067 250 LEU 46 CA -0.0013 0.0172 0.0145 251 LEU 46 C -0.0085 0.0032 0.0178 252 LEU 46 O -0.0160 -0.0067 0.0320 253 LEU 46 CB 0.0060 0.0364 0.0233 254 LEU 46 CG 0.0131 0.0512 0.0220 255 LEU 46 CD1 0.0205 0.0701 0.0297 256 LEU 46 CD2 0.0086 0.0463 0.0333 257 LEU 46 H 0.0096 0.0289 -0.0133 258 LEU 46 HA -0.0048 0.0128 0.0218 259 LEU 46 HB2 0.0095 0.0408 0.0158 260 LEU 46 HB3 0.0026 0.0357 0.0389 261 LEU 46 HG 0.0162 0.0513 0.0064 262 LEU 46 HD11 0.0240 0.0738 0.0205 263 LEU 46 HD12 0.0253 0.0802 0.0291 264 LEU 46 HD13 0.0172 0.0695 0.0450 265 LEU 46 HD21 0.0039 0.0335 0.0267 266 LEU 46 HD22 0.0050 0.0450 0.0488 267 LEU 46 HD23 0.0139 0.0573 0.0324 268 ALA 47 N -0.0012 0.0103 -0.0067 269 ALA 47 CA -0.0026 0.0094 -0.0082 270 ALA 47 C -0.0042 0.0098 -0.0080 271 ALA 47 O -0.0058 0.0093 -0.0089 272 ALA 47 CB -0.0014 0.0082 -0.0097 273 ALA 47 H 0.0003 0.0100 -0.0068 274 ALA 47 HA -0.0034 0.0094 -0.0083 275 ALA 47 HB1 -0.0025 0.0075 -0.0108 276 ALA 47 HB2 -0.0007 0.0082 -0.0096 277 ALA 47 HB3 -0.0003 0.0079 -0.0098 278 CYS 48 N 0.0005 0.0047 -0.0111 279 CYS 48 CA -0.0017 0.0029 -0.0112 280 CYS 48 C -0.0026 0.0023 -0.0086 281 CYS 48 O -0.0045 0.0008 -0.0083 282 CYS 48 CB -0.0022 0.0025 -0.0138 283 CYS 48 SG -0.0018 0.0028 -0.0168 284 CYS 48 H 0.0016 0.0056 -0.0109 285 CYS 48 HA -0.0026 0.0022 -0.0114 286 CYS 48 HB2 -0.0013 0.0032 -0.0142 287 CYS 48 HB3 -0.0039 0.0011 -0.0138 288 ALA 49 N 0.0008 -0.0016 0.0038 289 ALA 49 CA 0.0004 -0.0044 0.0074 290 ALA 49 C -0.0020 -0.0088 0.0030 291 ALA 49 O -0.0031 -0.0131 0.0054 292 ALA 49 CB 0.0003 -0.0082 0.0138 293 ALA 49 H 0.0024 0.0031 0.0034 294 ALA 49 HA 0.0021 -0.0005 0.0088 295 ALA 49 HB1 -0.0014 -0.0120 0.0126 296 ALA 49 HB2 0.0020 -0.0050 0.0169 297 ALA 49 HB3 0.0001 -0.0100 0.0166 298 ARG 50 N 0.0023 -0.0058 -0.0046 299 ARG 50 CA -0.0057 -0.0064 -0.0011 300 ARG 50 C -0.0044 -0.0103 0.0040 301 ARG 50 O 0.0014 -0.0106 0.0025 302 ARG 50 CB -0.0116 -0.0012 -0.0064 303 ARG 50 CG -0.0141 0.0029 -0.0114 304 ARG 50 CD -0.0199 0.0078 -0.0164 305 ARG 50 NE -0.0222 0.0119 -0.0215 306 ARG 50 CZ -0.0267 0.0168 -0.0269 307 ARG 50 NH1 -0.0297 0.0181 -0.0278 308 ARG 50 NH2 -0.0283 0.0202 -0.0313 309 ARG 50 H 0.0056 -0.0041 -0.0083 310 ARG 50 HA -0.0087 -0.0078 0.0020 311 ARG 50 HB2 -0.0085 0.0002 -0.0095 312 ARG 50 HB3 -0.0174 -0.0020 -0.0034 313 ARG 50 HG2 -0.0173 0.0015 -0.0083 314 ARG 50 HG3 -0.0084 0.0037 -0.0145 315 ARG 50 HD2 -0.0167 0.0091 -0.0195 316 ARG 50 HD3 -0.0256 0.0070 -0.0133 317 ARG 50 HE -0.0201 0.0108 -0.0207 318 ARG 50 HH11 -0.0287 0.0156 -0.0245 319 ARG 50 HH12 -0.0332 0.0217 -0.0317 320 ARG 50 HH21 -0.0262 0.0193 -0.0307 321 ARG 50 HH22 -0.0315 0.0239 -0.0354 322 TYR 51 N -0.0030 -0.0092 -0.0049 323 TYR 51 CA -0.0024 -0.0086 -0.0048 324 TYR 51 C -0.0025 -0.0089 -0.0060 325 TYR 51 O -0.0032 -0.0097 -0.0063 326 TYR 51 CB -0.0028 -0.0087 -0.0037 327 TYR 51 CG -0.0029 -0.0085 -0.0025 328 TYR 51 CD1 -0.0037 -0.0092 -0.0020 329 TYR 51 CD2 -0.0021 -0.0077 -0.0018 330 TYR 51 CE1 -0.0038 -0.0090 -0.0010 331 TYR 51 CE2 -0.0022 -0.0076 -0.0007 332 TYR 51 CZ -0.0030 -0.0082 -0.0003 333 TYR 51 OH -0.0031 -0.0081 0.0008 334 TYR 51 H -0.0037 -0.0098 -0.0047 335 TYR 51 HA -0.0017 -0.0080 -0.0048 336 TYR 51 HB2 -0.0035 -0.0094 -0.0038 337 TYR 51 HB3 -0.0023 -0.0083 -0.0036 338 TYR 51 HD1 -0.0043 -0.0099 -0.0026 339 TYR 51 HD2 -0.0015 -0.0072 -0.0021 340 TYR 51 HE1 -0.0044 -0.0096 -0.0006 341 TYR 51 HE2 -0.0016 -0.0069 -0.0002 342 TYR 51 HH -0.0037 -0.0085 0.0013 343 PHE 52 N 0.0064 -0.0040 -0.0055 344 PHE 52 CA 0.0060 -0.0036 -0.0032 345 PHE 52 C 0.0055 -0.0046 -0.0024 346 PHE 52 O 0.0053 -0.0063 -0.0031 347 PHE 52 CB 0.0056 -0.0044 -0.0022 348 PHE 52 CG 0.0060 -0.0034 -0.0030 349 PHE 52 CD1 0.0062 -0.0042 -0.0049 350 PHE 52 CD2 0.0062 -0.0018 -0.0019 351 PHE 52 CE1 0.0066 -0.0033 -0.0056 352 PHE 52 CE2 0.0066 -0.0009 -0.0026 353 PHE 52 CZ 0.0068 -0.0016 -0.0045 354 PHE 52 H 0.0062 -0.0055 -0.0061 355 PHE 52 HA 0.0064 -0.0019 -0.0029 356 PHE 52 HB2 0.0052 -0.0061 -0.0025 357 PHE 52 HB3 0.0053 -0.0041 -0.0005 358 PHE 52 HD1 0.0061 -0.0055 -0.0058 359 PHE 52 HD2 0.0060 -0.0012 -0.0004 360 PHE 52 HE1 0.0068 -0.0039 -0.0071 361 PHE 52 HE2 0.0067 0.0004 -0.0017 362 PHE 52 HZ 0.0071 -0.0010 -0.0051 363 ILE 53 N 0.0120 -0.0114 -0.0004 364 ILE 53 CA 0.0134 -0.0089 -0.0038 365 ILE 53 C 0.0110 -0.0081 -0.0041 366 ILE 53 O 0.0102 -0.0054 -0.0071 367 ILE 53 CB 0.0185 -0.0096 -0.0045 368 ILE 53 CG1 0.0201 -0.0125 -0.0014 369 ILE 53 CG2 0.0210 -0.0098 -0.0050 370 ILE 53 CD1 0.0251 -0.0133 -0.0020 371 ILE 53 H 0.0143 -0.0132 0.0011 372 ILE 53 HA 0.0125 -0.0070 -0.0059 373 ILE 53 HB 0.0193 -0.0077 -0.0070 374 ILE 53 HG12 0.0193 -0.0144 0.0011 375 ILE 53 HG13 0.0183 -0.0122 -0.0012 376 ILE 53 HG21 0.0201 -0.0115 -0.0026 377 ILE 53 HG22 0.0200 -0.0077 -0.0073 378 ILE 53 HG23 0.0246 -0.0103 -0.0054 379 ILE 53 HD11 0.0260 -0.0115 -0.0044 380 ILE 53 HD12 0.0259 -0.0154 0.0003 381 ILE 53 HD13 0.0269 -0.0136 -0.0022 382 ASP 54 N 0.0110 -0.0083 0.0013 383 ASP 54 CA 0.0094 -0.0109 0.0027 384 ASP 54 C 0.0084 -0.0125 0.0030 385 ASP 54 O 0.0092 -0.0112 0.0031 386 ASP 54 CB 0.0097 -0.0105 0.0060 387 ASP 54 CG 0.0081 -0.0131 0.0076 388 ASP 54 OD1 0.0074 -0.0142 0.0070 389 ASP 54 OD2 0.0075 -0.0141 0.0096 390 ASP 54 H 0.0116 -0.0075 0.0016 391 ASP 54 HA 0.0087 -0.0120 0.0013 392 ASP 54 HB2 0.0104 -0.0093 0.0058 393 ASP 54 HB3 0.0104 -0.0094 0.0075 394 SER 55 N 0.0084 -0.0132 0.0078 395 SER 55 CA 0.0088 -0.0151 0.0062 396 SER 55 C 0.0082 -0.0130 0.0085 397 SER 55 O 0.0088 -0.0124 0.0066 398 SER 55 CB 0.0085 -0.0200 0.0067 399 SER 55 OG 0.0088 -0.0220 0.0054 400 SER 55 H 0.0080 -0.0152 0.0091 401 SER 55 HA 0.0097 -0.0143 0.0030 402 SER 55 HB2 0.0090 -0.0213 0.0048 403 SER 55 HB3 0.0076 -0.0209 0.0099 404 SER 55 HG 0.0081 -0.0221 0.0078 405 THR 56 N 0.0085 -0.0142 0.0106 406 THR 56 CA 0.0076 -0.0118 0.0131 407 THR 56 C 0.0083 -0.0068 0.0110 408 THR 56 O 0.0085 -0.0053 0.0105 409 THR 56 CB 0.0059 -0.0112 0.0180 410 THR 56 OG1 0.0052 -0.0158 0.0198 411 THR 56 CG2 0.0049 -0.0093 0.0209 412 THR 56 H 0.0079 -0.0150 0.0122 413 THR 56 HA 0.0076 -0.0139 0.0129 414 THR 56 HB 0.0059 -0.0088 0.0181 415 THR 56 HG1 0.0056 -0.0163 0.0188 416 THR 56 HG21 0.0037 -0.0089 0.0243 417 THR 56 HG22 0.0049 -0.0117 0.0207 418 THR 56 HG23 0.0053 -0.0058 0.0196 419 ASN 57 N 0.0089 -0.0081 0.0109 420 ASN 57 CA 0.0104 -0.0046 0.0097 421 ASN 57 C 0.0109 -0.0052 0.0066 422 ASN 57 O 0.0116 -0.0031 0.0065 423 ASN 57 CB 0.0115 -0.0023 0.0085 424 ASN 57 CG 0.0117 -0.0002 0.0117 425 ASN 57 OD1 0.0126 0.0029 0.0128 426 ASN 57 ND2 0.0108 -0.0018 0.0133 427 ASN 57 H 0.0088 -0.0088 0.0103 428 ASN 57 HA 0.0105 -0.0032 0.0122 429 ASN 57 HB2 0.0111 -0.0042 0.0070 430 ASN 57 HB3 0.0126 -0.0004 0.0064 431 ASN 57 HD21 0.0100 -0.0043 0.0124 432 ASN 57 HD22 0.0108 -0.0004 0.0155 433 LEU 58 N 0.0087 -0.0024 0.0023 434 LEU 58 CA 0.0084 -0.0031 0.0006 435 LEU 58 C 0.0079 -0.0044 0.0015 436 LEU 58 O 0.0080 -0.0041 0.0009 437 LEU 58 CB 0.0078 -0.0041 -0.0010 438 LEU 58 CG 0.0073 -0.0052 -0.0028 439 LEU 58 CD1 0.0065 -0.0072 -0.0021 440 LEU 58 CD2 0.0077 -0.0040 -0.0038 441 LEU 58 H 0.0086 -0.0029 0.0024 442 LEU 58 HA 0.0088 -0.0018 -0.0001 443 LEU 58 HB2 0.0082 -0.0030 -0.0017 444 LEU 58 HB3 0.0075 -0.0051 -0.0002 445 LEU 58 HG 0.0071 -0.0055 -0.0041 446 LEU 58 HD11 0.0062 -0.0080 -0.0034 447 LEU 58 HD12 0.0067 -0.0071 -0.0009 448 LEU 58 HD13 0.0063 -0.0081 -0.0016 449 LEU 58 HD21 0.0078 -0.0038 -0.0026 450 LEU 58 HD22 0.0073 -0.0048 -0.0051 451 LEU 58 HD23 0.0082 -0.0026 -0.0043 452 LYS 59 N 0.0085 -0.0053 0.0083 453 LYS 59 CA 0.0095 -0.0044 0.0066 454 LYS 59 C 0.0085 -0.0054 0.0046 455 LYS 59 O 0.0087 -0.0051 0.0036 456 LYS 59 CB 0.0110 -0.0029 0.0059 457 LYS 59 CG 0.0107 -0.0032 0.0047 458 LYS 59 CD 0.0123 -0.0017 0.0042 459 LYS 59 CE 0.0134 -0.0007 0.0025 460 LYS 59 NZ 0.0127 -0.0014 0.0003 461 LYS 59 H 0.0087 -0.0051 0.0088 462 LYS 59 HA 0.0098 -0.0040 0.0075 463 LYS 59 HB2 0.0117 -0.0022 0.0048 464 LYS 59 HB3 0.0117 -0.0022 0.0074 465 LYS 59 HG2 0.0099 -0.0039 0.0058 466 LYS 59 HG3 0.0101 -0.0038 0.0031 467 LYS 59 HD2 0.0129 -0.0011 0.0058 468 LYS 59 HD3 0.0120 -0.0020 0.0036 469 LYS 59 HE2 0.0137 -0.0004 0.0032 470 LYS 59 HE3 0.0145 0.0004 0.0024 471 LYS 59 HZ1 0.0125 -0.0016 -0.0004 472 LYS 59 HZ2 0.0135 -0.0007 -0.0008 473 LYS 59 HZ3 0.0116 -0.0025 0.0003 474 THR 60 N 0.0108 -0.0033 0.0083 475 THR 60 CA 0.0103 -0.0041 0.0073 476 THR 60 C 0.0095 -0.0048 0.0076 477 THR 60 O 0.0092 -0.0053 0.0069 478 THR 60 CB 0.0099 -0.0046 0.0069 479 THR 60 OG1 0.0107 -0.0040 0.0065 480 THR 60 CG2 0.0094 -0.0054 0.0059 481 THR 60 H 0.0108 -0.0032 0.0087 482 THR 60 HA 0.0108 -0.0039 0.0065 483 THR 60 HB 0.0095 -0.0048 0.0077 484 THR 60 HG1 0.0109 -0.0035 0.0073 485 THR 60 HG21 0.0091 -0.0058 0.0057 486 THR 60 HG22 0.0099 -0.0053 0.0051 487 THR 60 HG23 0.0088 -0.0059 0.0062 488 HIS 61 N 0.0089 -0.0033 0.0061 489 HIS 61 CA 0.0082 -0.0019 0.0032 490 HIS 61 C 0.0065 -0.0051 0.0021 491 HIS 61 O 0.0063 -0.0044 0.0011 492 HIS 61 CB 0.0076 0.0004 -0.0002 493 HIS 61 CG 0.0062 0.0008 -0.0038 494 HIS 61 ND1 0.0068 0.0032 -0.0045 495 HIS 61 CD2 0.0042 -0.0010 -0.0068 496 HIS 61 CE1 0.0052 0.0026 -0.0077 497 HIS 61 NE2 0.0036 0.0001 -0.0092 498 HIS 61 H 0.0087 -0.0031 0.0054 499 HIS 61 HA 0.0095 0.0001 0.0045 500 HIS 61 HB2 0.0089 0.0033 0.0004 501 HIS 61 HB3 0.0068 -0.0010 -0.0008 502 HIS 61 HD1 0.0082 0.0049 -0.0028 503 HIS 61 HD2 0.0032 -0.0031 -0.0073 504 HIS 61 HE1 0.0049 0.0037 -0.0092 505 PHE 62 N 0.0069 0.0012 0.0114 506 PHE 62 CA 0.0049 -0.0005 0.0122 507 PHE 62 C 0.0053 -0.0015 0.0159 508 PHE 62 O 0.0037 -0.0031 0.0170 509 PHE 62 CB 0.0019 -0.0023 0.0108 510 PHE 62 CG 0.0013 -0.0014 0.0072 511 PHE 62 CD1 0.0020 -0.0001 0.0049 512 PHE 62 CD2 0.0001 -0.0020 0.0063 513 PHE 62 CE1 0.0014 0.0006 0.0016 514 PHE 62 CE2 -0.0005 -0.0013 0.0031 515 PHE 62 CZ 0.0002 0.0000 0.0007 516 PHE 62 H 0.0064 0.0009 0.0112 517 PHE 62 HA 0.0055 0.0002 0.0112 518 PHE 62 HB2 0.0012 -0.0033 0.0122 519 PHE 62 HB3 0.0008 -0.0032 0.0110 520 PHE 62 HD1 0.0030 0.0003 0.0057 521 PHE 62 HD2 -0.0004 -0.0031 0.0081 522 PHE 62 HE1 0.0020 0.0016 -0.0001 523 PHE 62 HE2 -0.0014 -0.0018 0.0023 524 PHE 62 HZ -0.0002 0.0006 -0.0018 525 ARG 63 N 0.0061 -0.0048 0.0330 526 ARG 63 CA 0.0075 -0.0075 0.0210 527 ARG 63 C 0.0032 -0.0188 0.0247 528 ARG 63 O 0.0036 -0.0230 0.0157 529 ARG 63 CB 0.0091 -0.0111 0.0065 530 ARG 63 CG 0.0141 0.0012 0.0010 531 ARG 63 CD 0.0156 -0.0028 -0.0135 532 ARG 63 NE 0.0162 -0.0077 -0.0249 533 ARG 63 CZ 0.0183 -0.0098 -0.0392 534 ARG 63 NH1 0.0202 -0.0067 -0.0441 535 ARG 63 NH2 0.0184 -0.0148 -0.0485 536 ARG 63 H 0.0051 -0.0085 0.0320 537 ARG 63 HA 0.0108 0.0024 0.0202 538 ARG 63 HB2 0.0060 -0.0201 0.0078 539 ARG 63 HB3 0.0097 -0.0141 -0.0017 540 ARG 63 HG2 0.0172 0.0100 -0.0006 541 ARG 63 HG3 0.0136 0.0044 0.0091 542 ARG 63 HD2 0.0192 0.0064 -0.0171 543 ARG 63 HD3 0.0125 -0.0113 -0.0117 544 ARG 63 HE 0.0149 -0.0098 -0.0215 545 ARG 63 HH11 0.0202 -0.0026 -0.0374 546 ARG 63 HH12 0.0218 -0.0082 -0.0548 547 ARG 63 HH21 0.0170 -0.0171 -0.0450 548 ARG 63 HH22 0.0199 -0.0166 -0.0593 549 SER 64 N 0.0024 0.0004 0.0196 550 SER 64 CA 0.0021 0.0002 0.0194 551 SER 64 C -0.0005 -0.0026 0.0189 552 SER 64 O -0.0026 -0.0026 0.0167 553 SER 64 CB 0.0019 0.0028 0.0169 554 SER 64 OG 0.0040 0.0055 0.0169 555 SER 64 H 0.0019 0.0016 0.0179 556 SER 64 HA 0.0037 -0.0000 0.0212 557 SER 64 HB2 0.0001 0.0027 0.0151 558 SER 64 HB3 0.0020 0.0029 0.0170 559 SER 64 HG 0.0056 0.0058 0.0183 560 LYS 65 N -0.0001 0.0036 0.0312 561 LYS 65 CA 0.0033 -0.0071 0.0213 562 LYS 65 C -0.0056 -0.0059 0.0100 563 LYS 65 O -0.0034 -0.0124 0.0043 564 LYS 65 CB 0.0089 -0.0159 0.0173 565 LYS 65 CG 0.0029 -0.0123 0.0136 566 LYS 65 CD -0.0077 -0.0097 0.0017 567 LYS 65 CE -0.0132 -0.0062 -0.0014 568 LYS 65 NZ -0.0238 -0.0031 -0.0124 569 LYS 65 H 0.0002 0.0050 0.0335 570 LYS 65 HA 0.0092 -0.0101 0.0258 571 LYS 65 HB2 0.0101 -0.0231 0.0092 572 LYS 65 HB3 0.0167 -0.0186 0.0250 573 LYS 65 HG2 0.0080 -0.0189 0.0119 574 LYS 65 HG3 0.0013 -0.0050 0.0214 575 LYS 65 HD2 -0.0130 -0.0031 0.0032 576 LYS 65 HD3 -0.0060 -0.0172 -0.0060 577 LYS 65 HE2 -0.0081 -0.0131 -0.0035 578 LYS 65 HE3 -0.0142 0.0008 0.0067 579 LYS 65 HZ1 -0.0232 -0.0096 -0.0205 580 LYS 65 HZ2 -0.0291 0.0038 -0.0107 581 LYS 65 HZ3 -0.0272 -0.0009 -0.0145 582 ASP 66 N -0.0075 -0.0020 0.0028 583 ASP 66 CA -0.0150 -0.0009 -0.0049 584 ASP 66 C -0.0146 0.0013 0.0024 585 ASP 66 O -0.0155 -0.0001 -0.0034 586 ASP 66 CB -0.0283 0.0044 -0.0083 587 ASP 66 CG -0.0359 0.0049 -0.0183 588 ASP 66 OD1 -0.0361 0.0012 -0.0303 589 ASP 66 OD2 -0.0421 0.0090 -0.0146 590 ASP 66 H -0.0117 0.0013 0.0067 591 ASP 66 HA -0.0109 -0.0056 -0.0139 592 ASP 66 HB2 -0.0281 0.0032 -0.0119 593 ASP 66 HB3 -0.0325 0.0092 0.0006 594 HIS 67 N -0.0035 0.0028 0.0129 595 HIS 67 CA -0.0039 0.0018 0.0085 596 HIS 67 C -0.0069 -0.0017 0.0072 597 HIS 67 O -0.0072 -0.0024 0.0037 598 HIS 67 CB -0.0037 0.0020 0.0084 599 HIS 67 CG -0.0038 0.0013 0.0041 600 HIS 67 ND1 -0.0026 0.0021 0.0003 601 HIS 67 CD2 -0.0041 0.0009 0.0033 602 HIS 67 CE1 -0.0021 0.0023 -0.0027 603 HIS 67 NE2 -0.0029 0.0017 -0.0010 604 HIS 67 H -0.0033 0.0034 0.0153 605 HIS 67 HA -0.0023 0.0033 0.0061 606 HIS 67 HB2 -0.0015 0.0045 0.0091 607 HIS 67 HB3 -0.0054 0.0004 0.0105 608 HIS 67 HD1 -0.0022 0.0025 -0.0003 609 HIS 67 HD2 -0.0054 -0.0002 0.0057 610 HIS 67 HE1 -0.0011 0.0029 -0.0061 611 LYS 68 N -0.0055 0.0014 0.0119 612 LYS 68 CA -0.0062 -0.0012 0.0113 613 LYS 68 C -0.0069 -0.0028 0.0098 614 LYS 68 O -0.0077 -0.0044 0.0083 615 LYS 68 CB -0.0056 -0.0027 0.0138 616 LYS 68 CG -0.0048 -0.0010 0.0154 617 LYS 68 CD -0.0042 -0.0025 0.0180 618 LYS 68 CE -0.0037 -0.0029 0.0197 619 LYS 68 NZ -0.0031 -0.0042 0.0223 620 LYS 68 H -0.0049 0.0018 0.0137 621 LYS 68 HA -0.0065 -0.0009 0.0101 622 LYS 68 HB2 -0.0053 -0.0031 0.0150 623 LYS 68 HB3 -0.0061 -0.0046 0.0135 624 LYS 68 HG2 -0.0050 -0.0003 0.0143 625 LYS 68 HG3 -0.0043 0.0009 0.0159 626 LYS 68 HD2 -0.0047 -0.0044 0.0176 627 LYS 68 HD3 -0.0037 -0.0013 0.0190 628 LYS 68 HE2 -0.0033 -0.0010 0.0200 629 LYS 68 HE3 -0.0043 -0.0042 0.0187 630 LYS 68 HZ1 -0.0035 -0.0061 0.0221 631 LYS 68 HZ2 -0.0028 -0.0044 0.0234 632 LYS 68 HZ3 -0.0026 -0.0030 0.0232 633 LYS 69 N 0.0040 0.0024 0.0037 634 LYS 69 CA 0.0031 0.0007 -0.0046 635 LYS 69 C -0.0027 0.0008 0.0043 636 LYS 69 O 0.0027 0.0021 0.0037 637 LYS 69 CB -0.0064 -0.0038 -0.0160 638 LYS 69 CG -0.0123 -0.0068 -0.0238 639 LYS 69 CD -0.0226 -0.0112 -0.0333 640 LYS 69 CE -0.0304 -0.0147 -0.0415 641 LYS 69 NZ -0.0406 -0.0188 -0.0497 642 LYS 69 H -0.0009 0.0006 0.0007 643 LYS 69 HA 0.0130 0.0024 -0.0092 644 LYS 69 HB2 -0.0009 -0.0038 -0.0235 645 LYS 69 HB3 -0.0147 -0.0052 -0.0114 646 LYS 69 HG2 -0.0171 -0.0066 -0.0159 647 LYS 69 HG3 -0.0043 -0.0057 -0.0297 648 LYS 69 HD2 -0.0171 -0.0110 -0.0406 649 LYS 69 HD3 -0.0298 -0.0119 -0.0270 650 LYS 69 HE2 -0.0355 -0.0147 -0.0344 651 LYS 69 HE3 -0.0234 -0.0141 -0.0485 652 LYS 69 HZ1 -0.0466 -0.0214 -0.0553 653 LYS 69 HZ2 -0.0472 -0.0193 -0.0429 654 LYS 69 HZ3 -0.0359 -0.0188 -0.0564 655 ARG 70 N -0.0148 0.0095 0.0081 656 ARG 70 CA 0.0004 0.0032 0.0078 657 ARG 70 C -0.0052 -0.0021 0.0001 658 ARG 70 O 0.0031 -0.0024 0.0031 659 ARG 70 CB 0.0126 -0.0079 0.0013 660 ARG 70 CG 0.0298 -0.0141 0.0019 661 ARG 70 CD 0.0396 -0.0039 0.0163 662 ARG 70 NE 0.0558 -0.0093 0.0173 663 ARG 70 CZ 0.0630 -0.0026 0.0271 664 ARG 70 NH1 0.0554 0.0101 0.0370 665 ARG 70 NH2 0.0779 -0.0084 0.0270 666 ARG 70 H -0.0170 0.0052 0.0029 667 ARG 70 HA 0.0070 0.0105 0.0180 668 ARG 70 HB2 0.0149 -0.0045 0.0058 669 ARG 70 HB3 0.0059 -0.0155 -0.0091 670 ARG 70 HG2 0.0378 -0.0216 -0.0026 671 ARG 70 HG3 0.0273 -0.0184 -0.0035 672 ARG 70 HD2 0.0315 0.0038 0.0210 673 ARG 70 HD3 0.0425 0.0002 0.0217 674 ARG 70 HE 0.0616 -0.0186 0.0101 675 ARG 70 HH11 0.0442 0.0151 0.0376 676 ARG 70 HH12 0.0606 0.0153 0.0444 677 ARG 70 HH21 0.0839 -0.0179 0.0197 678 ARG 70 HH22 0.0839 -0.0039 0.0341 679 LEU 71 N -0.0043 0.0050 0.0017 680 LEU 71 CA -0.0065 0.0030 -0.0010 681 LEU 71 C -0.0094 -0.0004 -0.0010 682 LEU 71 O -0.0112 -0.0017 -0.0044 683 LEU 71 CB -0.0065 0.0025 0.0007 684 LEU 71 CG -0.0038 0.0058 0.0010 685 LEU 71 CD1 -0.0042 0.0049 0.0025 686 LEU 71 CD2 -0.0027 0.0081 -0.0033 687 LEU 71 H -0.0033 0.0054 0.0044 688 LEU 71 HA -0.0061 0.0044 -0.0042 689 LEU 71 HB2 -0.0070 0.0011 0.0039 690 LEU 71 HB3 -0.0082 0.0010 -0.0013 691 LEU 71 HG -0.0021 0.0071 0.0034 692 LEU 71 HD11 -0.0058 0.0035 0.0002 693 LEU 71 HD12 -0.0048 0.0033 0.0056 694 LEU 71 HD13 -0.0022 0.0072 0.0027 695 LEU 71 HD21 -0.0023 0.0089 -0.0041 696 LEU 71 HD22 -0.0044 0.0068 -0.0058 697 LEU 71 HD23 -0.0008 0.0103 -0.0029 698 LYS 72 N -0.0178 -0.0014 0.0095 699 LYS 72 CA -0.0102 0.0063 0.0073 700 LYS 72 C -0.0072 0.0065 0.0117 701 LYS 72 O 0.0003 0.0108 0.0157 702 LYS 72 CB -0.0119 0.0107 -0.0038 703 LYS 72 CG -0.0043 0.0189 -0.0071 704 LYS 72 CD -0.0064 0.0229 -0.0181 705 LYS 72 CE 0.0012 0.0311 -0.0213 706 LYS 72 NZ -0.0006 0.0352 -0.0320 707 LYS 72 H -0.0230 -0.0030 0.0041 708 LYS 72 HA -0.0055 0.0087 0.0104 709 LYS 72 HB2 -0.0141 0.0104 -0.0068 710 LYS 72 HB3 -0.0167 0.0082 -0.0069 711 LYS 72 HG2 -0.0024 0.0193 -0.0048 712 LYS 72 HG3 0.0007 0.0214 -0.0037 713 LYS 72 HD2 -0.0084 0.0224 -0.0204 714 LYS 72 HD3 -0.0114 0.0204 -0.0214 715 LYS 72 HE2 0.0030 0.0316 -0.0193 716 LYS 72 HE3 0.0062 0.0335 -0.0177 717 LYS 72 HZ1 -0.0054 0.0330 -0.0357 718 LYS 72 HZ2 -0.0023 0.0349 -0.0342 719 LYS 72 HZ3 0.0047 0.0408 -0.0340 720 GLN 73 N -0.0216 0.0063 0.0157 721 GLN 73 CA -0.0141 0.0067 0.0234 722 GLN 73 C -0.0121 0.0039 0.0111 723 GLN 73 O -0.0150 0.0051 0.0147 724 GLN 73 CB 0.0025 0.0057 0.0310 725 GLN 73 CG 0.0019 0.0085 0.0441 726 GLN 73 CD 0.0186 0.0072 0.0509 727 GLN 73 OE1 0.0308 0.0037 0.0424 728 GLN 73 NE2 0.0195 0.0102 0.0660 729 GLN 73 H -0.0153 0.0051 0.0145 730 GLN 73 HA -0.0219 0.0098 0.0328 731 GLN 73 HB2 0.0102 0.0026 0.0216 732 GLN 73 HB3 0.0080 0.0059 0.0362 733 GLN 73 HG2 -0.0052 0.0115 0.0539 734 GLN 73 HG3 -0.0040 0.0083 0.0391 735 GLN 73 HE21 0.0093 0.0129 0.0720 736 GLN 73 HE22 0.0299 0.0096 0.0710 737 LEU 74 N -0.0185 -0.0001 -0.0031 738 LEU 74 CA -0.0195 0.0035 -0.0226 739 LEU 74 C -0.0363 -0.0030 -0.0321 740 LEU 74 O -0.0406 -0.0018 -0.0479 741 LEU 74 CB -0.0050 0.0125 -0.0304 742 LEU 74 CG -0.0029 0.0178 -0.0505 743 LEU 74 CD1 -0.0008 0.0197 -0.0544 744 LEU 74 CD2 0.0119 0.0265 -0.0560 745 LEU 74 H -0.0122 0.0019 0.0021 746 LEU 74 HA -0.0185 0.0045 -0.0249 747 LEU 74 HB2 0.0063 0.0165 -0.0223 748 LEU 74 HB3 -0.0073 0.0109 -0.0283 749 LEU 74 HG -0.0137 0.0141 -0.0586 750 LEU 74 HD11 0.0009 0.0236 -0.0685 751 LEU 74 HD12 0.0099 0.0234 -0.0462 752 LEU 74 HD13 -0.0117 0.0136 -0.0513 753 LEU 74 HD21 0.0230 0.0304 -0.0480 754 LEU 74 HD22 0.0133 0.0302 -0.0701 755 LEU 74 HD23 0.0102 0.0251 -0.0537 756 SER 75 N -0.0342 0.0005 -0.0219 757 SER 75 CA -0.0482 -0.0073 -0.0273 758 SER 75 C -0.0391 0.0135 -0.0351 759 SER 75 O -0.0518 0.0142 -0.0456 760 SER 75 CB -0.0762 -0.0156 -0.0433 761 SER 75 OG -0.0902 -0.0247 -0.0478 762 SER 75 H -0.0218 -0.0066 -0.0070 763 SER 75 HA -0.0442 -0.0231 -0.0127 764 SER 75 HB2 -0.0815 -0.0303 -0.0368 765 SER 75 HB3 -0.0800 0.0002 -0.0578 766 SER 75 HG -0.1035 -0.0399 -0.0472 767 VAL 76 N -0.0166 -0.0006 -0.0186 768 VAL 76 CA -0.0142 0.0041 -0.0179 769 VAL 76 C -0.0126 0.0005 -0.0147 770 VAL 76 O -0.0140 0.0010 -0.0164 771 VAL 76 CB -0.0098 0.0091 -0.0153 772 VAL 76 CG1 -0.0072 0.0138 -0.0145 773 VAL 76 CG2 -0.0113 0.0127 -0.0184 774 VAL 76 H -0.0153 -0.0005 -0.0172 775 VAL 76 HA -0.0167 0.0065 -0.0216 776 VAL 76 HB -0.0074 0.0065 -0.0117 777 VAL 76 HG11 -0.0041 0.0173 -0.0127 778 VAL 76 HG12 -0.0096 0.0163 -0.0181 779 VAL 76 HG13 -0.0060 0.0112 -0.0121 780 VAL 76 HG21 -0.0082 0.0162 -0.0165 781 VAL 76 HG22 -0.0130 0.0093 -0.0188 782 VAL 76 HG23 -0.0138 0.0153 -0.0221 783 GLU 77 N -0.0076 -0.0016 0.0017 784 GLU 77 CA -0.0060 -0.0046 0.0044 785 GLU 77 C -0.0054 -0.0073 0.0043 786 GLU 77 O -0.0052 -0.0061 0.0060 787 GLU 77 CB -0.0052 -0.0028 0.0086 788 GLU 77 CG -0.0055 0.0006 0.0102 789 GLU 77 CD -0.0046 0.0020 0.0144 790 GLU 77 OE1 -0.0049 0.0041 0.0151 791 GLU 77 OE2 -0.0036 0.0010 0.0171 792 GLU 77 H -0.0080 -0.0004 0.0014 793 GLU 77 HA -0.0059 -0.0065 0.0034 794 GLU 77 HB2 -0.0040 -0.0052 0.0106 795 GLU 77 HB3 -0.0054 -0.0018 0.0087 796 GLU 77 HG2 -0.0067 0.0030 0.0083 797 GLU 77 HG3 -0.0053 -0.0005 0.0101 798 PRO 78 N 0.0029 -0.0062 0.0030 799 PRO 78 CA 0.0064 -0.0103 -0.0018 800 PRO 78 C 0.0096 -0.0142 0.0077 801 PRO 78 O 0.0137 -0.0192 0.0145 802 PRO 78 CB 0.0123 -0.0175 -0.0093 803 PRO 78 CG 0.0103 -0.0151 -0.0109 804 PRO 78 CD 0.0064 -0.0104 -0.0004 805 PRO 78 HA 0.0027 -0.0059 -0.0066 806 PRO 78 HB2 0.0174 -0.0237 -0.0051 807 PRO 78 HB3 0.0124 -0.0177 -0.0171 808 PRO 78 HG2 0.0151 -0.0209 -0.0120 809 PRO 78 HG3 0.0068 -0.0110 -0.0181 810 PRO 78 HD2 0.0102 -0.0149 0.0059 811 PRO 78 HD3 0.0025 -0.0057 -0.0023 812 TYR 79 N 0.0065 0.0022 0.0060 813 TYR 79 CA 0.0014 0.0003 0.0134 814 TYR 79 C -0.0139 -0.0037 0.0325 815 TYR 79 O -0.0082 -0.0145 0.0487 816 TYR 79 CB 0.0205 -0.0081 0.0150 817 TYR 79 CG 0.0343 -0.0033 -0.0045 818 TYR 79 CD1 0.0501 -0.0058 -0.0117 819 TYR 79 CD2 0.0314 0.0039 -0.0159 820 TYR 79 CE1 0.0624 -0.0012 -0.0295 821 TYR 79 CE2 0.0437 0.0085 -0.0338 822 TYR 79 CZ 0.0592 0.0059 -0.0406 823 TYR 79 OH 0.0716 0.0106 -0.0587 824 TYR 79 H 0.0014 0.0105 -0.0059 825 TYR 79 HA -0.0068 0.0092 0.0028 826 TYR 79 HB2 0.0296 -0.0168 0.0246 827 TYR 79 HB3 0.0154 -0.0093 0.0211 828 TYR 79 HD1 0.0526 -0.0114 -0.0029 829 TYR 79 HD2 0.0191 0.0059 -0.0106 830 TYR 79 HE1 0.0746 -0.0033 -0.0347 831 TYR 79 HE2 0.0411 0.0141 -0.0425 832 TYR 79 HH 0.0621 0.0190 -0.0676 833 SER 80 N -0.0167 0.0017 0.0222 834 SER 80 CA -0.0168 0.0008 0.0216 835 SER 80 C -0.0196 0.0011 0.0231 836 SER 80 O -0.0216 0.0015 0.0243 837 SER 80 CB -0.0142 0.0024 0.0216 838 SER 80 OG -0.0140 0.0015 0.0209 839 SER 80 H -0.0163 0.0035 0.0232 840 SER 80 HA -0.0167 -0.0012 0.0202 841 SER 80 HB2 -0.0124 0.0023 0.0206 842 SER 80 HB3 -0.0144 0.0044 0.0230 843 SER 80 HG -0.0132 0.0001 0.0195 844 GLN 81 N -0.0192 0.0016 0.0257 845 GLN 81 CA -0.0146 0.0012 0.0222 846 GLN 81 C -0.0127 -0.0041 0.0238 847 GLN 81 O -0.0138 -0.0081 0.0269 848 GLN 81 CB -0.0109 0.0016 0.0190 849 GLN 81 CG -0.0063 0.0021 0.0151 850 GLN 81 CD -0.0024 0.0021 0.0120 851 GLN 81 OE1 -0.0020 -0.0005 0.0131 852 GLN 81 NE2 0.0004 0.0049 0.0081 853 GLN 81 H -0.0196 0.0012 0.0262 854 GLN 81 HA -0.0152 0.0045 0.0208 855 GLN 81 HB2 -0.0125 0.0050 0.0183 856 GLN 81 HB3 -0.0100 -0.0020 0.0204 857 GLN 81 HG2 -0.0049 -0.0012 0.0158 858 GLN 81 HG3 -0.0072 0.0059 0.0136 859 GLN 81 HE21 -0.0002 0.0068 0.0075 860 GLN 81 HE22 0.0030 0.0049 0.0061 861 GLU 82 N -0.0117 0.0038 0.0135 862 GLU 82 CA -0.0105 0.0010 0.0140 863 GLU 82 C -0.0138 0.0041 0.0189 864 GLU 82 O -0.0135 0.0027 0.0200 865 GLU 82 CB -0.0074 -0.0062 0.0155 866 GLU 82 CG -0.0059 -0.0095 0.0160 867 GLU 82 CD -0.0027 -0.0164 0.0171 868 GLU 82 OE1 -0.0034 -0.0191 0.0227 869 GLU 82 OE2 0.0005 -0.0193 0.0124 870 GLU 82 H -0.0120 0.0070 0.0097 871 GLU 82 HA -0.0095 0.0025 0.0093 872 GLU 82 HB2 -0.0051 -0.0078 0.0117 873 GLU 82 HB3 -0.0084 -0.0075 0.0201 874 GLU 82 HG2 -0.0080 -0.0081 0.0200 875 GLU 82 HG3 -0.0049 -0.0081 0.0114 876 GLU 83 N -0.0253 0.0117 0.0220 877 GLU 83 CA -0.0198 0.0132 0.0192 878 GLU 83 C -0.0164 0.0088 0.0215 879 GLU 83 O -0.0158 0.0096 0.0208 880 GLU 83 CB -0.0155 0.0148 0.0167 881 GLU 83 CG -0.0095 0.0165 0.0136 882 GLU 83 CD -0.0059 0.0185 0.0110 883 GLU 83 OE1 -0.0027 0.0154 0.0124 884 GLU 83 OE2 -0.0061 0.0234 0.0074 885 GLU 83 H -0.0249 0.0083 0.0245 886 GLU 83 HA -0.0214 0.0166 0.0171 887 GLU 83 HB2 -0.0181 0.0180 0.0151 888 GLU 83 HB3 -0.0141 0.0115 0.0188 889 GLU 83 HG2 -0.0065 0.0132 0.0153 890 GLU 83 HG3 -0.0108 0.0196 0.0117 891 ALA 84 N -0.0096 0.0086 0.0174 892 ALA 84 CA -0.0038 0.0094 0.0213 893 ALA 84 C -0.0059 0.0079 0.0245 894 ALA 84 O -0.0027 0.0076 0.0294 895 ALA 84 CB -0.0010 0.0089 0.0266 896 ALA 84 H -0.0128 0.0070 0.0198 897 ALA 84 HA -0.0001 0.0115 0.0179 898 ALA 84 HB1 0.0031 0.0094 0.0295 899 ALA 84 HB2 -0.0048 0.0068 0.0299 900 ALA 84 HB3 0.0008 0.0101 0.0241 901 GLU 85 N -0.0088 0.0197 0.0182 902 GLU 85 CA -0.0052 0.0211 0.0153 903 GLU 85 C -0.0041 0.0143 0.0103 904 GLU 85 O -0.0074 0.0093 0.0110 905 GLU 85 CB -0.0082 0.0229 0.0193 906 GLU 85 CG -0.0044 0.0258 0.0170 907 GLU 85 CD -0.0026 0.0206 0.0122 908 GLU 85 OE1 -0.0057 0.0170 0.0135 909 GLU 85 OE2 0.0019 0.0199 0.0071 910 GLU 85 H -0.0100 0.0149 0.0168 911 GLU 85 HA -0.0015 0.0254 0.0137 912 GLU 85 HB2 -0.0100 0.0266 0.0234 913 GLU 85 HB3 -0.0114 0.0181 0.0201 914 GLU 85 HG2 -0.0008 0.0292 0.0152 915 GLU 85 HG3 -0.0063 0.0287 0.0206 916 ARG 86 N -0.0057 0.0163 -0.0055 917 ARG 86 CA -0.0124 0.0226 -0.0088 918 ARG 86 C -0.0159 0.0219 -0.0002 919 ARG 86 O -0.0107 0.0155 0.0059 920 ARG 86 CB -0.0082 0.0243 -0.0211 921 ARG 86 CG 0.0026 0.0172 -0.0236 922 ARG 86 CD 0.0047 0.0128 -0.0165 923 ARG 86 NE 0.0153 0.0058 -0.0186 924 ARG 86 CZ 0.0197 -0.0000 -0.0122 925 ARG 86 NH1 0.0145 0.0004 -0.0034 926 ARG 86 NH2 0.0294 -0.0062 -0.0148 927 ARG 86 H 0.0003 0.0110 -0.0035 928 ARG 86 HA -0.0188 0.0276 -0.0093 929 ARG 86 HB2 -0.0125 0.0281 -0.0224 930 ARG 86 HB3 -0.0090 0.0273 -0.0272 931 ARG 86 HG2 0.0048 0.0191 -0.0325 932 ARG 86 HG3 0.0071 0.0134 -0.0222 933 ARG 86 HD2 0.0020 0.0113 -0.0075 934 ARG 86 HD3 0.0010 0.0165 -0.0186 935 ARG 86 HE 0.0193 0.0055 -0.0253 936 ARG 86 HH11 0.0072 0.0049 -0.0010 937 ARG 86 HH12 0.0177 -0.0039 0.0014 938 ARG 86 HH21 0.0335 -0.0067 -0.0214 939 ARG 86 HH22 0.0330 -0.0107 -0.0103 940 ALA 87 N 0.0011 0.0192 -0.0268 941 ALA 87 CA 0.0113 0.0179 -0.0425 942 ALA 87 C 0.0091 0.0130 -0.0211 943 ALA 87 O 0.0260 0.0036 -0.0221 944 ALA 87 CB 0.0398 0.0052 -0.0549 945 ALA 87 H 0.0124 0.0090 -0.0142 946 ALA 87 HA -0.0000 0.0295 -0.0598 947 ALA 87 HB1 0.0510 -0.0062 -0.0375 948 ALA 87 HB2 0.0411 0.0089 -0.0699 949 ALA 87 HB3 0.0477 0.0040 -0.0660 950 ALA 88 N -0.0149 0.0295 -0.0160 951 ALA 88 CA -0.0152 0.0329 -0.0172 952 ALA 88 C -0.0127 0.0213 -0.0155 953 ALA 88 O -0.0065 0.0160 -0.0236 954 ALA 88 CB -0.0110 0.0406 -0.0287 955 ALA 88 H -0.0106 0.0228 -0.0200 956 ALA 88 HA -0.0206 0.0385 -0.0107 957 ALA 88 HB1 -0.0055 0.0351 -0.0354 958 ALA 88 HB2 -0.0129 0.0489 -0.0297 959 ALA 88 HB3 -0.0115 0.0432 -0.0292 960 GLY 89 N 0.0141 -0.0185 0.0402 961 GLY 89 CA -0.1260 -0.0040 0.0431 962 GLY 89 C -0.0376 0.0005 0.0149 963 GLY 89 O 0.0811 -0.0623 0.1103 964 GLY 89 H 0.1404 -0.0069 -0.0100 965 GLY 89 HA2 -0.2016 -0.0578 0.1639 966 GLY 89 HA3 -0.2220 0.0573 -0.0544 967 MET 90 N 0.0209 -0.0094 0.0174 968 MET 90 CA 0.0193 -0.0087 0.0102 969 MET 90 C 0.0267 -0.0004 -0.0097 970 MET 90 O 0.0177 -0.0021 -0.0254 971 MET 90 CB 0.0001 -0.0193 0.0093 972 MET 90 CG -0.0027 -0.0202 0.0058 973 MET 90 SD 0.0034 -0.0118 -0.0175 974 MET 90 CE -0.0034 -0.0159 -0.0164 975 MET 90 H 0.0283 -0.0078 0.0298 976 MET 90 HA 0.0276 -0.0062 0.0204 977 MET 90 HB2 -0.0050 -0.0251 0.0231 978 MET 90 HB3 -0.0076 -0.0212 -0.0023 979 MET 90 HG2 0.0050 -0.0183 0.0174 980 MET 90 HG3 -0.0164 -0.0281 0.0068 981 MET 90 HE1 0.0036 -0.0146 -0.0038 982 MET 90 HE2 -0.0006 -0.0115 -0.0297 983 MET 90 HE3 -0.0173 -0.0239 -0.0151 984 GLY 91 N 0.0053 -0.0110 0.0192 985 GLY 91 CA -0.0008 -0.0197 0.0336 986 GLY 91 C 0.0019 -0.0020 0.0104 987 GLY 91 O -0.0240 0.0125 0.0089 988 GLY 91 H -0.0098 0.0067 0.0071 989 GLY 91 HA2 0.0184 -0.0393 0.0456 990 GLY 91 HA3 -0.0267 -0.0195 0.0493 991 SER 92 N 0.0638 0.0301 -0.0764 992 SER 92 CA 0.0558 0.0118 -0.0512 993 SER 92 C 0.0200 0.0337 -0.0712 994 SER 92 O -0.0259 0.0460 -0.0767 995 SER 92 CB 0.0328 -0.0190 -0.0066 996 SER 92 OG 0.0673 -0.0389 0.0111 997 SER 92 H 0.0331 0.0383 -0.0800 998 SER 92 HA 0.0939 0.0037 -0.0493 999 SER 92 HB2 -0.0054 -0.0113 -0.0081 1000 SER 92 HB3 0.0287 -0.0337 0.0130 1001 SER 92 HG 0.0925 -0.0252 -0.0120 1002 TYR 93 N -0.0246 -0.0020 0.0168 1003 TYR 93 CA -0.0221 -0.0036 0.0148 1004 TYR 93 C -0.0136 -0.0051 0.0261 1005 TYR 93 O -0.0082 -0.0061 0.0328 1006 TYR 93 CB -0.0162 -0.0091 0.0022 1007 TYR 93 CG -0.0145 -0.0108 -0.0022 1008 TYR 93 CD1 -0.0234 -0.0083 -0.0097 1009 TYR 93 CD2 -0.0042 -0.0148 0.0011 1010 TYR 93 CE1 -0.0220 -0.0098 -0.0137 1011 TYR 93 CE2 -0.0027 -0.0163 -0.0029 1012 TYR 93 CZ -0.0117 -0.0138 -0.0103 1013 TYR 93 OH -0.0103 -0.0153 -0.0143 1014 TYR 93 H -0.0181 -0.0051 0.0165 1015 TYR 93 HA -0.0301 0.0000 0.0144 1016 TYR 93 HB2 -0.0215 -0.0082 -0.0052 1017 TYR 93 HB3 -0.0076 -0.0127 0.0033 1018 TYR 93 HD1 -0.0315 -0.0052 -0.0124 1019 TYR 93 HD2 0.0029 -0.0168 0.0069 1020 TYR 93 HE1 -0.0290 -0.0078 -0.0196 1021 TYR 93 HE2 0.0054 -0.0195 -0.0003 1022 TYR 93 HH -0.0075 -0.0150 -0.0069 1023 VAL 94 N -0.0168 -0.0100 0.0344 1024 VAL 94 CA -0.0115 0.0042 0.0181 1025 VAL 94 C -0.0194 0.0220 0.0203 1026 VAL 94 O -0.0203 0.0200 0.0229 1027 VAL 94 CB 0.0020 -0.0052 0.0020 1028 VAL 94 CG1 0.0037 -0.0156 0.0053 1029 VAL 94 CG2 0.0072 0.0100 -0.0148 1030 VAL 94 H -0.0122 -0.0233 0.0347 1031 VAL 94 HA -0.0119 0.0098 0.0155 1032 VAL 94 HB 0.0070 -0.0162 0.0004 1033 VAL 94 HG11 0.0131 -0.0218 -0.0061 1034 VAL 94 HG12 -0.0015 -0.0052 0.0076 1035 VAL 94 HG13 0.0006 -0.0271 0.0167 1036 VAL 94 HG21 0.0021 0.0215 -0.0133 1037 VAL 94 HG22 0.0165 0.0032 -0.0256 1038 VAL 94 HG23 0.0068 0.0161 -0.0176