1 ASP 28 N -0.0027 -0.0028 0.0422 2 ASP 28 CA -0.0046 -0.0089 0.0298 3 ASP 28 C -0.0094 0.0008 0.0201 4 ASP 28 O -0.0114 0.0109 0.0214 5 ASP 28 CB -0.0035 -0.0155 0.0285 6 ASP 28 CG -0.0053 -0.0222 0.0159 7 ASP 28 OD1 -0.0040 -0.0315 0.0128 8 ASP 28 OD2 -0.0079 -0.0186 0.0093 9 ASP 28 H 0.0006 -0.0092 0.0491 10 ASP 28 HA -0.0034 -0.0158 0.0286 11 ASP 28 HB2 -0.0001 -0.0224 0.0355 12 ASP 28 HB3 -0.0047 -0.0085 0.0300 13 PRO 29 N -0.0130 0.0010 0.0206 14 PRO 29 CA -0.0162 0.0144 0.0061 15 PRO 29 C -0.0140 0.0117 -0.0021 16 PRO 29 O -0.0079 -0.0030 -0.0069 17 PRO 29 CB -0.0133 0.0121 -0.0088 18 PRO 29 CG -0.0106 0.0015 0.0005 19 PRO 29 CD -0.0084 -0.0095 0.0157 20 PRO 29 HA -0.0217 0.0274 0.0114 21 PRO 29 HB2 -0.0093 0.0054 -0.0202 22 PRO 29 HB3 -0.0174 0.0248 -0.0139 23 PRO 29 HG2 -0.0061 -0.0068 -0.0094 24 PRO 29 HG3 -0.0146 0.0102 0.0063 25 PRO 29 HD2 -0.0030 -0.0221 0.0107 26 PRO 29 HD3 -0.0093 -0.0112 0.0274 27 ASN 30 N -0.0119 -0.0003 0.0069 28 ASN 30 CA -0.0112 -0.0018 0.0106 29 ASN 30 C -0.0126 0.0023 0.0071 30 ASN 30 O -0.0138 0.0081 0.0099 31 ASN 30 CB -0.0108 -0.0003 0.0190 32 ASN 30 CG -0.0100 -0.0015 0.0235 33 ASN 30 OD1 -0.0083 -0.0075 0.0259 34 ASN 30 ND2 -0.0113 0.0041 0.0247 35 ASN 30 H -0.0110 -0.0044 0.0052 36 ASN 30 HA -0.0098 -0.0075 0.0097 37 ASN 30 HB2 -0.0097 -0.0039 0.0210 38 ASN 30 HB3 -0.0121 0.0052 0.0194 39 ASN 30 HD21 -0.0127 0.0088 0.0228 40 ASN 30 HD22 -0.0109 0.0034 0.0276 41 ALA 31 N -0.0078 0.0086 -0.0066 42 ALA 31 CA -0.0086 0.0115 -0.0098 43 ALA 31 C -0.0076 0.0076 -0.0148 44 ALA 31 O -0.0076 0.0075 -0.0198 45 ALA 31 CB -0.0103 0.0172 -0.0125 46 ALA 31 H -0.0068 0.0051 -0.0083 47 ALA 31 HA -0.0089 0.0124 -0.0067 48 ALA 31 HB1 -0.0110 0.0193 -0.0147 49 ALA 31 HB2 -0.0101 0.0164 -0.0157 50 ALA 31 HB3 -0.0111 0.0199 -0.0089 51 GLU 32 N -0.0105 -0.0107 -0.0141 52 GLU 32 CA -0.0121 -0.0180 -0.0191 53 GLU 32 C -0.0104 -0.0100 -0.0200 54 GLU 32 O -0.0110 -0.0130 -0.0264 55 GLU 32 CB -0.0145 -0.0291 -0.0107 56 GLU 32 CG -0.0138 -0.0260 0.0029 57 GLU 32 CD -0.0163 -0.0375 0.0106 58 GLU 32 OE1 -0.0172 -0.0418 0.0106 59 GLU 32 OE2 -0.0174 -0.0424 0.0166 60 GLU 32 H -0.0107 -0.0116 -0.0051 61 GLU 32 HA -0.0128 -0.0211 -0.0283 62 GLU 32 HB2 -0.0156 -0.0344 -0.0148 63 GLU 32 HB3 -0.0157 -0.0345 -0.0104 64 GLU 32 HG2 -0.0127 -0.0210 0.0074 65 GLU 32 HG3 -0.0126 -0.0203 0.0027 66 PHE 33 N -0.0057 0.0032 -0.0109 67 PHE 33 CA -0.0053 0.0079 -0.0112 68 PHE 33 C -0.0046 0.0125 -0.0143 69 PHE 33 O -0.0045 0.0122 -0.0154 70 PHE 33 CB -0.0061 0.0099 -0.0054 71 PHE 33 CG -0.0065 0.0109 -0.0018 72 PHE 33 CD1 -0.0062 0.0159 -0.0020 73 PHE 33 CD2 -0.0073 0.0069 0.0016 74 PHE 33 CE1 -0.0066 0.0168 0.0012 75 PHE 33 CE2 -0.0077 0.0078 0.0049 76 PHE 33 CZ -0.0074 0.0127 0.0047 77 PHE 33 H -0.0060 0.0032 -0.0084 78 PHE 33 HA -0.0051 0.0067 -0.0133 79 PHE 33 HB2 -0.0058 0.0137 -0.0057 80 PHE 33 HB3 -0.0065 0.0068 -0.0035 81 PHE 33 HD1 -0.0056 0.0191 -0.0047 82 PHE 33 HD2 -0.0075 0.0030 0.0018 83 PHE 33 HE1 -0.0064 0.0207 0.0011 84 PHE 33 HE2 -0.0083 0.0046 0.0075 85 PHE 33 HZ -0.0077 0.0134 0.0072 86 ASP 34 N -0.0055 0.0171 -0.0112 87 ASP 34 CA -0.0060 0.0172 -0.0111 88 ASP 34 C -0.0015 0.0156 -0.0119 89 ASP 34 O 0.0009 0.0123 -0.0114 90 ASP 34 CB -0.0097 0.0142 -0.0089 91 ASP 34 CG -0.0108 0.0147 -0.0088 92 ASP 34 OD1 -0.0081 0.0129 -0.0090 93 ASP 34 OD2 -0.0143 0.0169 -0.0085 94 ASP 34 H -0.0053 0.0141 -0.0102 95 ASP 34 HA -0.0070 0.0206 -0.0120 96 ASP 34 HB2 -0.0127 0.0151 -0.0083 97 ASP 34 HB3 -0.0084 0.0108 -0.0081 98 PRO 35 N -0.0018 0.0191 -0.0107 99 PRO 35 CA 0.0050 0.0194 -0.0101 100 PRO 35 C 0.0045 0.0162 -0.0092 101 PRO 35 O 0.0098 0.0164 -0.0087 102 PRO 35 CB 0.0067 0.0272 -0.0122 103 PRO 35 CG -0.0007 0.0304 -0.0139 104 PRO 35 CD -0.0057 0.0258 -0.0131 105 PRO 35 HA 0.0093 0.0169 -0.0089 106 PRO 35 HB2 0.0099 0.0284 -0.0122 107 PRO 35 HB3 0.0095 0.0290 -0.0124 108 PRO 35 HG2 -0.0025 0.0303 -0.0141 109 PRO 35 HG3 -0.0005 0.0357 -0.0155 110 PRO 35 HD2 -0.0109 0.0250 -0.0134 111 PRO 35 HD3 -0.0064 0.0280 -0.0139 112 ASP 36 N 0.0027 0.0102 -0.0105 113 ASP 36 CA 0.0023 0.0004 -0.0067 114 ASP 36 C 0.0021 -0.0072 -0.0039 115 ASP 36 O 0.0055 -0.0163 -0.0034 116 ASP 36 CB -0.0056 0.0011 -0.0010 117 ASP 36 CG -0.0066 -0.0089 0.0032 118 ASP 36 OD1 -0.0018 -0.0127 0.0009 119 ASP 36 OD2 -0.0123 -0.0133 0.0091 120 ASP 36 H -0.0025 0.0144 -0.0080 121 ASP 36 HA 0.0079 -0.0020 -0.0101 122 ASP 36 HB2 -0.0050 0.0063 -0.0032 123 ASP 36 HB3 -0.0112 0.0042 0.0022 124 LEU 37 N 0.0001 -0.0074 -0.0021 125 LEU 37 CA -0.0005 -0.0103 -0.0003 126 LEU 37 C 0.0036 -0.0105 -0.0051 127 LEU 37 O 0.0052 -0.0053 -0.0089 128 LEU 37 CB -0.0054 -0.0066 0.0040 129 LEU 37 CG -0.0100 -0.0079 0.0099 130 LEU 37 CD1 -0.0098 -0.0156 0.0126 131 LEU 37 CD2 -0.0109 -0.0051 0.0100 132 LEU 37 H -0.0010 -0.0023 -0.0027 133 LEU 37 HA -0.0005 -0.0156 0.0017 134 LEU 37 HB2 -0.0057 -0.0012 0.0023 135 LEU 37 HB3 -0.0052 -0.0081 0.0043 136 LEU 37 HG -0.0130 -0.0053 0.0125 137 LEU 37 HD11 -0.0130 -0.0163 0.0167 138 LEU 37 HD12 -0.0068 -0.0185 0.0101 139 LEU 37 HD13 -0.0094 -0.0174 0.0128 140 LEU 37 HD21 -0.0142 -0.0062 0.0142 141 LEU 37 HD22 -0.0114 0.0004 0.0084 142 LEU 37 HD23 -0.0079 -0.0076 0.0074 143 PRO 38 N 0.0052 -0.0147 -0.0046 144 PRO 38 CA 0.0082 -0.0152 -0.0083 145 PRO 38 C 0.0068 -0.0105 -0.0085 146 PRO 38 O 0.0036 -0.0097 -0.0047 147 PRO 38 CB 0.0090 -0.0214 -0.0067 148 PRO 38 CG 0.0075 -0.0247 -0.0033 149 PRO 38 CD 0.0041 -0.0202 -0.0009 150 PRO 38 HA 0.0109 -0.0148 -0.0120 151 PRO 38 HB2 0.0074 -0.0211 -0.0047 152 PRO 38 HB3 0.0121 -0.0235 -0.0098 153 PRO 38 HG2 0.0065 -0.0281 -0.0006 154 PRO 38 HG3 0.0098 -0.0267 -0.0055 155 PRO 38 HD2 0.0014 -0.0198 0.0025 156 PRO 38 HD3 0.0039 -0.0213 -0.0001 157 GLY 39 N 0.0078 -0.0087 -0.0117 158 GLY 39 CA 0.0055 -0.0053 -0.0120 159 GLY 39 C 0.0021 -0.0009 -0.0119 160 GLY 39 O -0.0009 0.0017 -0.0106 161 GLY 39 H 0.0104 -0.0092 -0.0144 162 GLY 39 HA2 0.0074 -0.0044 -0.0150 163 GLY 39 HA3 0.0041 -0.0068 -0.0092 164 GLY 40 N 0.0016 0.0028 -0.0088 165 GLY 40 CA -0.0006 0.0059 -0.0088 166 GLY 40 C -0.0038 0.0055 -0.0062 167 GLY 40 O -0.0060 0.0080 -0.0059 168 GLY 40 H 0.0031 0.0016 -0.0093 169 GLY 40 HA2 0.0000 0.0067 -0.0096 170 GLY 40 HA3 -0.0006 0.0079 -0.0098 171 GLY 41 N -0.0023 -0.0008 -0.0033 172 GLY 41 CA -0.0047 -0.0011 0.0003 173 GLY 41 C -0.0057 0.0017 0.0008 174 GLY 41 O -0.0078 0.0023 0.0037 175 GLY 41 H -0.0008 -0.0031 -0.0047 176 GLY 41 HA2 -0.0047 -0.0043 0.0012 177 GLY 41 HA3 -0.0060 -0.0001 0.0018 178 LEU 42 N -0.0050 0.0037 -0.0043 179 LEU 42 CA -0.0067 0.0049 -0.0040 180 LEU 42 C -0.0068 0.0043 -0.0025 181 LEU 42 O -0.0082 0.0051 -0.0019 182 LEU 42 CB -0.0068 0.0059 -0.0062 183 LEU 42 CG -0.0067 0.0066 -0.0079 184 LEU 42 CD1 -0.0068 0.0076 -0.0100 185 LEU 42 CD2 -0.0082 0.0075 -0.0073 186 LEU 42 H -0.0039 0.0033 -0.0054 187 LEU 42 HA -0.0078 0.0055 -0.0035 188 LEU 42 HB2 -0.0057 0.0053 -0.0067 189 LEU 42 HB3 -0.0080 0.0068 -0.0059 190 LEU 42 HG -0.0054 0.0057 -0.0082 191 LEU 42 HD11 -0.0067 0.0081 -0.0112 192 LEU 42 HD12 -0.0080 0.0085 -0.0097 193 LEU 42 HD13 -0.0056 0.0069 -0.0105 194 LEU 42 HD21 -0.0095 0.0084 -0.0069 195 LEU 42 HD22 -0.0081 0.0080 -0.0086 196 LEU 42 HD23 -0.0080 0.0068 -0.0059 197 HIS 43 N -0.0021 -0.0041 -0.0053 198 HIS 43 CA -0.0021 -0.0049 -0.0029 199 HIS 43 C -0.0009 -0.0062 -0.0007 200 HIS 43 O 0.0015 -0.0072 -0.0008 201 HIS 43 CB -0.0005 -0.0054 -0.0035 202 HIS 43 CG -0.0013 -0.0043 -0.0059 203 HIS 43 ND1 -0.0034 -0.0034 -0.0057 204 HIS 43 CD2 -0.0003 -0.0038 -0.0087 205 HIS 43 CE1 -0.0036 -0.0026 -0.0081 206 HIS 43 NE2 -0.0017 -0.0028 -0.0099 207 HIS 43 H -0.0004 -0.0046 -0.0060 208 HIS 43 HA -0.0042 -0.0043 -0.0021 209 HIS 43 HB2 0.0016 -0.0062 -0.0039 210 HIS 43 HB3 -0.0008 -0.0059 -0.0017 211 HIS 43 HD1 -0.0046 -0.0035 -0.0040 212 HIS 43 HD2 0.0014 -0.0042 -0.0096 213 HIS 43 HE1 -0.0050 -0.0018 -0.0085 214 HIS 43 HE2 -0.0017 -0.0021 -0.0120 215 ARG 44 N 0.0013 0.0010 0.0010 216 ARG 44 CA 0.0000 -0.0027 0.0043 217 ARG 44 C -0.0000 -0.0021 0.0047 218 ARG 44 O 0.0005 0.0021 0.0043 219 ARG 44 CB -0.0013 -0.0016 0.0094 220 ARG 44 CG -0.0014 -0.0006 0.0099 221 ARG 44 CD -0.0027 0.0009 0.0152 222 ARG 44 NE -0.0028 0.0022 0.0159 223 ARG 44 CZ -0.0040 0.0031 0.0203 224 ARG 44 NH1 -0.0051 0.0029 0.0244 225 ARG 44 NH2 -0.0040 0.0042 0.0207 226 ARG 44 H 0.0015 0.0046 0.0015 227 ARG 44 HA -0.0000 -0.0065 0.0032 228 ARG 44 HB2 -0.0014 0.0015 0.0109 229 ARG 44 HB3 -0.0022 -0.0049 0.0116 230 ARG 44 HG2 -0.0014 -0.0041 0.0088 231 ARG 44 HG3 -0.0004 0.0024 0.0075 232 ARG 44 HD2 -0.0027 0.0041 0.0163 233 ARG 44 HD3 -0.0036 -0.0023 0.0174 234 ARG 44 HE -0.0019 0.0025 0.0129 235 ARG 44 HH11 -0.0052 0.0021 0.0242 236 ARG 44 HH12 -0.0060 0.0036 0.0277 237 ARG 44 HH21 -0.0031 0.0044 0.0178 238 ARG 44 HH22 -0.0048 0.0049 0.0240 239 CYS 45 N 0.0050 -0.0006 0.0029 240 CYS 45 CA 0.0062 0.0010 0.0013 241 CYS 45 C 0.0065 0.0003 0.0049 242 CYS 45 O 0.0042 -0.0022 0.0061 243 CYS 45 CB 0.0042 -0.0000 -0.0025 244 CYS 45 SG 0.0053 0.0015 -0.0042 245 CYS 45 H 0.0028 -0.0026 0.0031 246 CYS 45 HA 0.0085 0.0032 0.0007 247 CYS 45 HB2 0.0043 0.0008 -0.0050 248 CYS 45 HB3 0.0018 -0.0023 -0.0021 249 LEU 46 N 0.0010 0.0060 0.0063 250 LEU 46 CA 0.0007 0.0056 0.0131 251 LEU 46 C -0.0011 0.0019 0.0141 252 LEU 46 O -0.0028 -0.0015 0.0187 253 LEU 46 CB 0.0035 0.0117 0.0159 254 LEU 46 CG 0.0053 0.0156 0.0155 255 LEU 46 CD1 0.0081 0.0217 0.0179 256 LEU 46 CD2 0.0040 0.0130 0.0191 257 LEU 46 H 0.0029 0.0098 0.0042 258 LEU 46 HA -0.0003 0.0035 0.0154 259 LEU 46 HB2 0.0045 0.0138 0.0135 260 LEU 46 HB3 0.0032 0.0113 0.0209 261 LEU 46 HG 0.0055 0.0158 0.0105 262 LEU 46 HD11 0.0091 0.0236 0.0150 263 LEU 46 HD12 0.0094 0.0243 0.0178 264 LEU 46 HD13 0.0079 0.0214 0.0228 265 LEU 46 HD21 0.0021 0.0089 0.0170 266 LEU 46 HD22 0.0037 0.0125 0.0241 267 LEU 46 HD23 0.0054 0.0160 0.0188 268 ALA 47 N 0.0066 0.0099 -0.0014 269 ALA 47 CA 0.0055 0.0089 -0.0023 270 ALA 47 C 0.0013 0.0037 -0.0031 271 ALA 47 O 0.0001 0.0019 -0.0026 272 ALA 47 CB 0.0062 0.0126 -0.0075 273 ALA 47 H 0.0074 0.0123 -0.0042 274 ALA 47 HA 0.0074 0.0094 0.0013 275 ALA 47 HB1 0.0055 0.0120 -0.0080 276 ALA 47 HB2 0.0043 0.0122 -0.0112 277 ALA 47 HB3 0.0092 0.0163 -0.0069 278 CYS 48 N 0.0026 -0.0025 0.0084 279 CYS 48 CA -0.0002 -0.0071 0.0076 280 CYS 48 C -0.0011 -0.0094 0.0112 281 CYS 48 O -0.0033 -0.0133 0.0116 282 CYS 48 CB -0.0014 -0.0079 0.0022 283 CYS 48 SG -0.0010 -0.0063 -0.0018 284 CYS 48 H 0.0037 -0.0005 0.0078 285 CYS 48 HA -0.0009 -0.0085 0.0086 286 CYS 48 HB2 -0.0007 -0.0062 0.0002 287 CYS 48 HB3 -0.0035 -0.0114 0.0018 288 ALA 49 N -0.0032 -0.0115 0.0154 289 ALA 49 CA -0.0041 -0.0129 0.0200 290 ALA 49 C -0.0057 -0.0166 0.0159 291 ALA 49 O -0.0075 -0.0198 0.0189 292 ALA 49 CB -0.0062 -0.0165 0.0265 293 ALA 49 H -0.0009 -0.0071 0.0148 294 ALA 49 HA -0.0019 -0.0083 0.0217 295 ALA 49 HB1 -0.0084 -0.0210 0.0249 296 ALA 49 HB2 -0.0050 -0.0138 0.0293 297 ALA 49 HB3 -0.0067 -0.0172 0.0300 298 ARG 50 N -0.0029 -0.0132 0.0116 299 ARG 50 CA -0.0027 -0.0151 0.0085 300 ARG 50 C -0.0012 -0.0119 0.0066 301 ARG 50 O 0.0000 -0.0086 0.0059 302 ARG 50 CB -0.0027 -0.0177 0.0053 303 ARG 50 CG -0.0042 -0.0213 0.0069 304 ARG 50 CD -0.0042 -0.0238 0.0035 305 ARG 50 NE -0.0056 -0.0272 0.0050 306 ARG 50 CZ -0.0058 -0.0297 0.0027 307 ARG 50 NH1 -0.0047 -0.0292 -0.0012 308 ARG 50 NH2 -0.0072 -0.0327 0.0044 309 ARG 50 H -0.0022 -0.0118 0.0108 310 ARG 50 HA -0.0036 -0.0169 0.0100 311 ARG 50 HB2 -0.0018 -0.0159 0.0038 312 ARG 50 HB3 -0.0025 -0.0188 0.0030 313 ARG 50 HG2 -0.0052 -0.0232 0.0083 314 ARG 50 HG3 -0.0045 -0.0202 0.0092 315 ARG 50 HD2 -0.0032 -0.0219 0.0021 316 ARG 50 HD3 -0.0040 -0.0249 0.0013 317 ARG 50 HE -0.0065 -0.0276 0.0080 318 ARG 50 HH11 -0.0037 -0.0271 -0.0026 319 ARG 50 HH12 -0.0048 -0.0311 -0.0031 320 ARG 50 HH21 -0.0081 -0.0331 0.0074 321 ARG 50 HH22 -0.0073 -0.0345 0.0027 322 TYR 51 N -0.0020 -0.0195 0.0077 323 TYR 51 CA -0.0009 -0.0159 0.0045 324 TYR 51 C 0.0013 -0.0176 -0.0003 325 TYR 51 O 0.0021 -0.0219 -0.0015 326 TYR 51 CB -0.0013 -0.0154 0.0052 327 TYR 51 CG -0.0035 -0.0141 0.0102 328 TYR 51 CD1 -0.0047 -0.0179 0.0135 329 TYR 51 CD2 -0.0045 -0.0091 0.0115 330 TYR 51 CE1 -0.0067 -0.0168 0.0180 331 TYR 51 CE2 -0.0065 -0.0080 0.0160 332 TYR 51 CZ -0.0076 -0.0118 0.0192 333 TYR 51 OH -0.0097 -0.0107 0.0237 334 TYR 51 H -0.0019 -0.0226 0.0079 335 TYR 51 HA -0.0015 -0.0123 0.0051 336 TYR 51 HB2 -0.0007 -0.0189 0.0044 337 TYR 51 HB3 -0.0005 -0.0125 0.0029 338 TYR 51 HD1 -0.0040 -0.0218 0.0125 339 TYR 51 HD2 -0.0036 -0.0061 0.0089 340 TYR 51 HE1 -0.0076 -0.0198 0.0205 341 TYR 51 HE2 -0.0073 -0.0041 0.0169 342 TYR 51 HH -0.0099 -0.0130 0.0245 343 PHE 52 N 0.0062 -0.0102 -0.0029 344 PHE 52 CA 0.0060 -0.0101 -0.0027 345 PHE 52 C 0.0055 -0.0103 -0.0034 346 PHE 52 O 0.0050 -0.0105 -0.0039 347 PHE 52 CB 0.0054 -0.0098 -0.0019 348 PHE 52 CG 0.0058 -0.0095 -0.0012 349 PHE 52 CD1 0.0058 -0.0094 -0.0010 350 PHE 52 CD2 0.0062 -0.0093 -0.0006 351 PHE 52 CE1 0.0061 -0.0092 -0.0003 352 PHE 52 CE2 0.0066 -0.0090 0.0001 353 PHE 52 CZ 0.0066 -0.0090 0.0002 354 PHE 52 H 0.0057 -0.0102 -0.0030 355 PHE 52 HA 0.0066 -0.0101 -0.0026 356 PHE 52 HB2 0.0048 -0.0098 -0.0021 357 PHE 52 HB3 0.0052 -0.0097 -0.0018 358 PHE 52 HD1 0.0054 -0.0096 -0.0015 359 PHE 52 HD2 0.0062 -0.0093 -0.0007 360 PHE 52 HE1 0.0061 -0.0091 -0.0002 361 PHE 52 HE2 0.0069 -0.0089 0.0006 362 PHE 52 HZ 0.0069 -0.0088 0.0008 363 ILE 53 N 0.0127 -0.0156 -0.0064 364 ILE 53 CA 0.0132 -0.0134 -0.0128 365 ILE 53 C 0.0089 -0.0097 -0.0143 366 ILE 53 O 0.0073 -0.0067 -0.0190 367 ILE 53 CB 0.0188 -0.0161 -0.0157 368 ILE 53 CG1 0.0198 -0.0181 -0.0127 369 ILE 53 CG2 0.0231 -0.0193 -0.0155 370 ILE 53 CD1 0.0251 -0.0208 -0.0154 371 ILE 53 H 0.0157 -0.0185 -0.0046 372 ILE 53 HA 0.0129 -0.0124 -0.0148 373 ILE 53 HB 0.0187 -0.0142 -0.0204 374 ILE 53 HG12 0.0197 -0.0200 -0.0080 375 ILE 53 HG13 0.0167 -0.0158 -0.0131 376 ILE 53 HG21 0.0230 -0.0211 -0.0109 377 ILE 53 HG22 0.0224 -0.0178 -0.0180 378 ILE 53 HG23 0.0269 -0.0212 -0.0176 379 ILE 53 HD11 0.0252 -0.0190 -0.0201 380 ILE 53 HD12 0.0255 -0.0221 -0.0130 381 ILE 53 HD13 0.0283 -0.0232 -0.0152 382 ASP 54 N 0.0084 -0.0099 -0.0087 383 ASP 54 CA 0.0039 -0.0102 -0.0082 384 ASP 54 C 0.0012 -0.0103 -0.0042 385 ASP 54 O 0.0034 -0.0102 -0.0011 386 ASP 54 CB 0.0046 -0.0101 -0.0072 387 ASP 54 CG 0.0001 -0.0104 -0.0069 388 ASP 54 OD1 -0.0019 -0.0105 -0.0105 389 ASP 54 OD2 -0.0016 -0.0105 -0.0029 390 ASP 54 H 0.0099 -0.0098 -0.0060 391 ASP 54 HA 0.0019 -0.0103 -0.0114 392 ASP 54 HB2 0.0066 -0.0100 -0.0100 393 ASP 54 HB3 0.0064 -0.0100 -0.0039 394 SER 55 N -0.0003 -0.0118 -0.0005 395 SER 55 CA -0.0031 -0.0146 0.0011 396 SER 55 C -0.0019 -0.0146 0.0067 397 SER 55 O -0.0025 -0.0154 0.0080 398 SER 55 CB -0.0072 -0.0183 0.0003 399 SER 55 OG -0.0100 -0.0212 0.0020 400 SER 55 H -0.0013 -0.0125 -0.0014 401 SER 55 HA -0.0031 -0.0142 -0.0014 402 SER 55 HB2 -0.0080 -0.0182 -0.0037 403 SER 55 HB3 -0.0072 -0.0187 0.0023 404 SER 55 HG -0.0102 -0.0220 0.0056 405 THR 56 N -0.0060 -0.0174 0.0093 406 THR 56 CA -0.0058 -0.0145 0.0175 407 THR 56 C -0.0006 -0.0073 0.0169 408 THR 56 O -0.0003 -0.0057 0.0206 409 THR 56 CB -0.0065 -0.0134 0.0239 410 THR 56 OG1 -0.0110 -0.0200 0.0237 411 THR 56 CG2 -0.0069 -0.0112 0.0329 412 THR 56 H -0.0063 -0.0180 0.0086 413 THR 56 HA -0.0088 -0.0181 0.0196 414 THR 56 HB -0.0031 -0.0093 0.0220 415 THR 56 HG1 -0.0100 -0.0200 0.0189 416 THR 56 HG21 -0.0074 -0.0105 0.0372 417 THR 56 HG22 -0.0102 -0.0153 0.0347 418 THR 56 HG23 -0.0035 -0.0063 0.0331 419 ASN 57 N 0.0017 -0.0077 0.0104 420 ASN 57 CA 0.0058 -0.0046 0.0105 421 ASN 57 C 0.0068 -0.0045 0.0092 422 ASN 57 O 0.0088 -0.0020 0.0111 423 ASN 57 CB 0.0088 -0.0038 0.0073 424 ASN 57 CG 0.0093 -0.0023 0.0096 425 ASN 57 OD1 0.0119 0.0007 0.0117 426 ASN 57 ND2 0.0070 -0.0043 0.0091 427 ASN 57 H 0.0015 -0.0091 0.0079 428 ASN 57 HA 0.0060 -0.0027 0.0139 429 ASN 57 HB2 0.0077 -0.0061 0.0044 430 ASN 57 HB3 0.0117 -0.0022 0.0061 431 ASN 57 HD21 0.0050 -0.0067 0.0074 432 ASN 57 HD22 0.0073 -0.0034 0.0105 433 LEU 58 N 0.0037 -0.0051 0.0030 434 LEU 58 CA 0.0047 -0.0053 0.0014 435 LEU 58 C 0.0043 -0.0051 0.0021 436 LEU 58 O 0.0051 -0.0039 0.0015 437 LEU 58 CB 0.0050 -0.0074 0.0000 438 LEU 58 CG 0.0059 -0.0081 -0.0016 439 LEU 58 CD1 0.0051 -0.0093 -0.0011 440 LEU 58 CD2 0.0071 -0.0063 -0.0026 441 LEU 58 H 0.0032 -0.0063 0.0032 442 LEU 58 HA 0.0056 -0.0039 0.0007 443 LEU 58 HB2 0.0054 -0.0072 -0.0005 444 LEU 58 HB3 0.0040 -0.0087 0.0009 445 LEU 58 HG 0.0062 -0.0093 -0.0027 446 LEU 58 HD11 0.0058 -0.0098 -0.0023 447 LEU 58 HD12 0.0047 -0.0083 0.0000 448 LEU 58 HD13 0.0043 -0.0107 -0.0005 449 LEU 58 HD21 0.0068 -0.0051 -0.0016 450 LEU 58 HD22 0.0077 -0.0069 -0.0038 451 LEU 58 HD23 0.0077 -0.0055 -0.0030 452 LYS 59 N 0.0046 -0.0100 0.0038 453 LYS 59 CA 0.0025 -0.0109 0.0072 454 LYS 59 C 0.0023 -0.0012 0.0128 455 LYS 59 O 0.0032 0.0013 0.0126 456 LYS 59 CB -0.0030 -0.0198 0.0124 457 LYS 59 CG -0.0075 -0.0194 0.0210 458 LYS 59 CD -0.0126 -0.0289 0.0252 459 LYS 59 CE -0.0150 -0.0306 0.0286 460 LYS 59 NZ -0.0168 -0.0229 0.0361 461 LYS 59 H 0.0026 -0.0141 0.0053 462 LYS 59 HA 0.0054 -0.0120 0.0013 463 LYS 59 HB2 -0.0042 -0.0205 0.0143 464 LYS 59 HB3 -0.0025 -0.0264 0.0080 465 LYS 59 HG2 -0.0062 -0.0184 0.0192 466 LYS 59 HG3 -0.0083 -0.0133 0.0258 467 LYS 59 HD2 -0.0116 -0.0351 0.0201 468 LYS 59 HD3 -0.0156 -0.0288 0.0307 469 LYS 59 HE2 -0.0120 -0.0306 0.0232 470 LYS 59 HE3 -0.0184 -0.0377 0.0310 471 LYS 59 HZ1 -0.0198 -0.0231 0.0417 472 LYS 59 HZ2 -0.0183 -0.0243 0.0382 473 LYS 59 HZ3 -0.0137 -0.0158 0.0344 474 THR 60 N 0.0007 -0.0037 0.0146 475 THR 60 CA 0.0020 0.0050 0.0206 476 THR 60 C 0.0057 0.0122 0.0129 477 THR 60 O 0.0065 0.0169 0.0152 478 THR 60 CB 0.0022 0.0112 0.0277 479 THR 60 OG1 -0.0013 0.0043 0.0350 480 THR 60 CG2 0.0035 0.0203 0.0340 481 THR 60 H 0.0005 -0.0043 0.0149 482 THR 60 HA -0.0000 0.0017 0.0254 483 THR 60 HB 0.0042 0.0140 0.0224 484 THR 60 HG1 -0.0018 -0.0003 0.0311 485 THR 60 HG21 0.0037 0.0244 0.0388 486 THR 60 HG22 0.0016 0.0173 0.0390 487 THR 60 HG23 0.0061 0.0254 0.0286 488 HIS 61 N 0.0055 0.0046 0.0001 489 HIS 61 CA 0.0052 0.0060 -0.0027 490 HIS 61 C 0.0068 0.0053 -0.0058 491 HIS 61 O 0.0063 0.0069 -0.0083 492 HIS 61 CB 0.0052 0.0059 -0.0023 493 HIS 61 CG 0.0056 0.0066 -0.0053 494 HIS 61 ND1 0.0042 0.0090 -0.0071 495 HIS 61 CD2 0.0075 0.0050 -0.0070 496 HIS 61 CE1 0.0052 0.0089 -0.0097 497 HIS 61 NE2 0.0071 0.0065 -0.0097 498 HIS 61 H 0.0059 0.0034 0.0017 499 HIS 61 HA 0.0036 0.0080 -0.0028 500 HIS 61 HB2 0.0036 0.0072 -0.0008 501 HIS 61 HB3 0.0064 0.0040 -0.0011 502 HIS 61 HD1 0.0027 0.0106 -0.0066 503 HIS 61 HD2 0.0090 0.0029 -0.0063 504 HIS 61 HE1 0.0047 0.0103 -0.0118 505 PHE 62 N 0.0108 0.0104 -0.0060 506 PHE 62 CA 0.0124 0.0090 -0.0097 507 PHE 62 C 0.0120 0.0097 -0.0094 508 PHE 62 O 0.0132 0.0085 -0.0120 509 PHE 62 CB 0.0146 0.0046 -0.0102 510 PHE 62 CG 0.0151 0.0034 -0.0100 511 PHE 62 CD1 0.0149 0.0052 -0.0128 512 PHE 62 CD2 0.0158 0.0003 -0.0071 513 PHE 62 CE1 0.0154 0.0041 -0.0125 514 PHE 62 CE2 0.0163 -0.0009 -0.0068 515 PHE 62 CZ 0.0161 0.0010 -0.0095 516 PHE 62 H 0.0111 0.0086 -0.0035 517 PHE 62 HA 0.0122 0.0107 -0.0125 518 PHE 62 HB2 0.0149 0.0027 -0.0079 519 PHE 62 HB3 0.0155 0.0042 -0.0134 520 PHE 62 HD1 0.0143 0.0076 -0.0151 521 PHE 62 HD2 0.0160 -0.0011 -0.0049 522 PHE 62 HE1 0.0152 0.0056 -0.0148 523 PHE 62 HE2 0.0169 -0.0033 -0.0045 524 PHE 62 HZ 0.0165 -0.0000 -0.0092 525 ARG 63 N 0.0103 0.0118 -0.0194 526 ARG 63 CA 0.0089 0.0147 -0.0053 527 ARG 63 C 0.0127 0.0295 -0.0124 528 ARG 63 O 0.0121 0.0346 -0.0020 529 ARG 63 CB 0.0068 0.0198 0.0150 530 ARG 63 CG 0.0024 0.0034 0.0240 531 ARG 63 CD 0.0005 0.0091 0.0442 532 ARG 63 NE -0.0003 0.0150 0.0576 533 ARG 63 CZ -0.0026 0.0177 0.0769 534 ARG 63 NH1 -0.0046 0.0141 0.0856 535 ARG 63 NH2 -0.0030 0.0238 0.0874 536 ARG 63 H 0.0110 0.0174 -0.0167 537 ARG 63 HA 0.0062 0.0009 -0.0049 538 ARG 63 HB2 0.0094 0.0324 0.0142 539 ARG 63 HB3 0.0061 0.0233 0.0244 540 ARG 63 HG2 -0.0001 -0.0090 0.0252 541 ARG 63 HG3 0.0031 -0.0004 0.0146 542 ARG 63 HD2 -0.0027 -0.0032 0.0501 543 ARG 63 HD3 0.0030 0.0211 0.0429 544 ARG 63 HE 0.0010 0.0173 0.0514 545 ARG 63 HH11 -0.0044 0.0091 0.0781 546 ARG 63 HH12 -0.0063 0.0161 0.1001 547 ARG 63 HH21 -0.0016 0.0264 0.0811 548 ARG 63 HH22 -0.0047 0.0262 0.1019 549 SER 64 N 0.0113 0.0133 -0.0119 550 SER 64 CA 0.0087 0.0143 -0.0164 551 SER 64 C 0.0118 0.0121 -0.0204 552 SER 64 O 0.0133 0.0113 -0.0202 553 SER 64 CB 0.0053 0.0164 -0.0156 554 SER 64 OG 0.0030 0.0182 -0.0111 555 SER 64 H 0.0115 0.0135 -0.0095 556 SER 64 HA 0.0071 0.0151 -0.0176 557 SER 64 HB2 0.0069 0.0155 -0.0152 558 SER 64 HB3 0.0029 0.0174 -0.0187 559 SER 64 HG 0.0010 0.0193 -0.0117 560 LYS 65 N 0.0091 0.0049 -0.0312 561 LYS 65 CA 0.0172 0.0089 -0.0345 562 LYS 65 C 0.0122 0.0072 -0.0283 563 LYS 65 O 0.0193 0.0119 -0.0244 564 LYS 65 CB 0.0216 0.0083 -0.0504 565 LYS 65 CG 0.0115 0.0008 -0.0608 566 LYS 65 CD 0.0027 -0.0039 -0.0595 567 LYS 65 CE -0.0070 -0.0112 -0.0699 568 LYS 65 NZ -0.0161 -0.0160 -0.0683 569 LYS 65 H 0.0058 0.0017 -0.0387 570 LYS 65 HA 0.0253 0.0144 -0.0290 571 LYS 65 HB2 0.0265 0.0107 -0.0522 572 LYS 65 HB3 0.0281 0.0114 -0.0530 573 LYS 65 HG2 0.0159 0.0013 -0.0712 574 LYS 65 HG3 0.0063 -0.0018 -0.0590 575 LYS 65 HD2 -0.0018 -0.0045 -0.0491 576 LYS 65 HD3 0.0080 -0.0013 -0.0615 577 LYS 65 HE2 -0.0024 -0.0106 -0.0803 578 LYS 65 HE3 -0.0117 -0.0136 -0.0684 579 LYS 65 HZ1 -0.0119 -0.0139 -0.0696 580 LYS 65 HZ2 -0.0211 -0.0169 -0.0586 581 LYS 65 HZ3 -0.0225 -0.0209 -0.0757 582 ASP 66 N 0.0091 -0.0012 -0.0287 583 ASP 66 CA 0.0090 -0.0037 -0.0202 584 ASP 66 C 0.0101 -0.0024 -0.0125 585 ASP 66 O 0.0113 -0.0006 -0.0050 586 ASP 66 CB 0.0062 -0.0129 -0.0205 587 ASP 66 CG 0.0061 -0.0154 -0.0127 588 ASP 66 OD1 0.0063 -0.0143 -0.0134 589 ASP 66 OD2 0.0057 -0.0186 -0.0059 590 ASP 66 H 0.0074 -0.0057 -0.0328 591 ASP 66 HA 0.0104 0.0004 -0.0195 592 ASP 66 HB2 0.0054 -0.0138 -0.0266 593 ASP 66 HB3 0.0050 -0.0169 -0.0203 594 HIS 67 N 0.0129 0.0059 -0.0163 595 HIS 67 CA 0.0125 0.0071 -0.0154 596 HIS 67 C 0.0122 0.0090 -0.0148 597 HIS 67 O 0.0115 0.0096 -0.0132 598 HIS 67 CB 0.0132 0.0075 -0.0167 599 HIS 67 CG 0.0128 0.0086 -0.0159 600 HIS 67 ND1 0.0119 0.0083 -0.0142 601 HIS 67 CD2 0.0133 0.0094 -0.0168 602 HIS 67 CE1 0.0119 0.0088 -0.0141 603 HIS 67 NE2 0.0127 0.0095 -0.0156 604 HIS 67 H 0.0136 0.0055 -0.0175 605 HIS 67 HA 0.0119 0.0063 -0.0142 606 HIS 67 HB2 0.0134 0.0062 -0.0171 607 HIS 67 HB3 0.0138 0.0084 -0.0178 608 HIS 67 HD1 0.0114 0.0078 -0.0132 609 HIS 67 HD2 0.0140 0.0100 -0.0181 610 HIS 67 HE1 0.0113 0.0088 -0.0129 611 LYS 68 N 0.0179 0.0101 -0.0153 612 LYS 68 CA 0.0177 0.0111 -0.0152 613 LYS 68 C 0.0157 0.0090 -0.0150 614 LYS 68 O 0.0143 0.0098 -0.0145 615 LYS 68 CB 0.0208 0.0114 -0.0159 616 LYS 68 CG 0.0228 0.0134 -0.0161 617 LYS 68 CD 0.0259 0.0136 -0.0168 618 LYS 68 CE 0.0272 0.0105 -0.0176 619 LYS 68 NZ 0.0303 0.0106 -0.0183 620 LYS 68 H 0.0197 0.0093 -0.0159 621 LYS 68 HA 0.0167 0.0133 -0.0147 622 LYS 68 HB2 0.0216 0.0092 -0.0164 623 LYS 68 HB3 0.0207 0.0124 -0.0157 624 LYS 68 HG2 0.0220 0.0156 -0.0156 625 LYS 68 HG3 0.0230 0.0125 -0.0163 626 LYS 68 HD2 0.0258 0.0144 -0.0167 627 LYS 68 HD3 0.0273 0.0150 -0.0170 628 LYS 68 HE2 0.0272 0.0095 -0.0177 629 LYS 68 HE3 0.0259 0.0090 -0.0174 630 LYS 68 HZ1 0.0304 0.0114 -0.0182 631 LYS 68 HZ2 0.0312 0.0084 -0.0188 632 LYS 68 HZ3 0.0316 0.0119 -0.0184 633 LYS 69 N 0.0122 0.0110 -0.0052 634 LYS 69 CA 0.0115 0.0106 -0.0009 635 LYS 69 C 0.0109 0.0097 0.0039 636 LYS 69 O 0.0097 0.0122 0.0078 637 LYS 69 CB 0.0126 0.0061 -0.0018 638 LYS 69 CG 0.0122 0.0040 0.0027 639 LYS 69 CD 0.0134 -0.0008 0.0009 640 LYS 69 CE 0.0133 -0.0038 0.0050 641 LYS 69 NZ 0.0146 -0.0085 0.0028 642 LYS 69 H 0.0132 0.0086 -0.0080 643 LYS 69 HA 0.0108 0.0140 -0.0007 644 LYS 69 HB2 0.0128 0.0072 -0.0046 645 LYS 69 HB3 0.0134 0.0032 -0.0033 646 LYS 69 HG2 0.0118 0.0031 0.0055 647 LYS 69 HG3 0.0114 0.0066 0.0040 648 LYS 69 HD2 0.0137 0.0003 -0.0020 649 LYS 69 HD3 0.0142 -0.0032 -0.0007 650 LYS 69 HE2 0.0129 -0.0047 0.0081 651 LYS 69 HE3 0.0126 -0.0015 0.0064 652 LYS 69 HZ1 0.0145 -0.0107 0.0055 653 LYS 69 HZ2 0.0152 -0.0106 0.0013 654 LYS 69 HZ3 0.0149 -0.0076 -0.0002 655 ARG 70 N 0.0097 0.0070 0.0008 656 ARG 70 CA 0.0093 0.0065 0.0033 657 ARG 70 C 0.0046 0.0117 0.0012 658 ARG 70 O 0.0018 0.0129 0.0049 659 ARG 70 CB 0.0146 0.0025 0.0006 660 ARG 70 CG 0.0146 0.0013 0.0036 661 ARG 70 CD 0.0135 -0.0008 0.0116 662 ARG 70 NE 0.0133 -0.0018 0.0148 663 ARG 70 CZ 0.0103 -0.0014 0.0212 664 ARG 70 NH1 0.0072 -0.0001 0.0252 665 ARG 70 NH2 0.0103 -0.0024 0.0236 666 ARG 70 H 0.0129 0.0055 -0.0030 667 ARG 70 HA 0.0083 0.0051 0.0090 668 ARG 70 HB2 0.0180 -0.0010 0.0014 669 ARG 70 HB3 0.0152 0.0041 -0.0050 670 ARG 70 HG2 0.0185 -0.0016 0.0015 671 ARG 70 HG3 0.0114 0.0048 0.0023 672 ARG 70 HD2 0.0097 0.0020 0.0137 673 ARG 70 HD3 0.0167 -0.0044 0.0129 674 ARG 70 HE 0.0155 -0.0028 0.0119 675 ARG 70 HH11 0.0071 0.0006 0.0236 676 ARG 70 HH12 0.0049 0.0002 0.0300 677 ARG 70 HH21 0.0126 -0.0035 0.0207 678 ARG 70 HH22 0.0082 -0.0023 0.0283 679 LEU 71 N 0.0068 0.0111 -0.0039 680 LEU 71 CA 0.0036 0.0156 -0.0059 681 LEU 71 C -0.0010 0.0163 -0.0032 682 LEU 71 O -0.0049 0.0189 -0.0028 683 LEU 71 CB 0.0060 0.0181 -0.0102 684 LEU 71 CG 0.0108 0.0178 -0.0134 685 LEU 71 CD1 0.0126 0.0207 -0.0176 686 LEU 71 CD2 0.0102 0.0188 -0.0140 687 LEU 71 H 0.0097 0.0102 -0.0052 688 LEU 71 HA 0.0028 0.0167 -0.0063 689 LEU 71 HB2 0.0067 0.0170 -0.0097 690 LEU 71 HB3 0.0035 0.0214 -0.0115 691 LEU 71 HG 0.0134 0.0145 -0.0122 692 LEU 71 HD11 0.0100 0.0239 -0.0189 693 LEU 71 HD12 0.0131 0.0198 -0.0172 694 LEU 71 HD13 0.0159 0.0203 -0.0198 695 LEU 71 HD21 0.0092 0.0165 -0.0110 696 LEU 71 HD22 0.0075 0.0220 -0.0151 697 LEU 71 HD23 0.0136 0.0186 -0.0163 698 LYS 72 N -0.0041 0.0162 -0.0012 699 LYS 72 CA -0.0124 0.0116 0.0029 700 LYS 72 C -0.0208 0.0086 0.0057 701 LYS 72 O -0.0305 0.0092 0.0059 702 LYS 72 CB -0.0074 0.0038 0.0083 703 LYS 72 CG -0.0154 -0.0014 0.0128 704 LYS 72 CD -0.0097 -0.0087 0.0178 705 LYS 72 CE -0.0176 -0.0138 0.0222 706 LYS 72 NZ -0.0122 -0.0207 0.0270 707 LYS 72 H 0.0034 0.0138 0.0000 708 LYS 72 HA -0.0164 0.0160 -0.0001 709 LYS 72 HB2 -0.0015 0.0060 0.0062 710 LYS 72 HB3 -0.0034 -0.0005 0.0112 711 LYS 72 HG2 -0.0209 -0.0043 0.0153 712 LYS 72 HG3 -0.0199 0.0028 0.0100 713 LYS 72 HD2 -0.0041 -0.0059 0.0153 714 LYS 72 HD3 -0.0053 -0.0129 0.0207 715 LYS 72 HE2 -0.0230 -0.0168 0.0249 716 LYS 72 HE3 -0.0223 -0.0094 0.0193 717 LYS 72 HZ1 -0.0077 -0.0250 0.0299 718 LYS 72 HZ2 -0.0070 -0.0179 0.0245 719 LYS 72 HZ3 -0.0178 -0.0241 0.0299 720 GLN 73 N -0.0131 0.0118 0.0122 721 GLN 73 CA -0.0139 0.0103 0.0166 722 GLN 73 C -0.0159 0.0126 0.0125 723 GLN 73 O -0.0204 0.0132 0.0151 724 GLN 73 CB -0.0070 0.0067 0.0198 725 GLN 73 CG -0.0047 0.0041 0.0243 726 GLN 73 CD 0.0023 0.0006 0.0271 727 GLN 73 OE1 0.0069 0.0003 0.0238 728 GLN 73 NE2 0.0031 -0.0021 0.0332 729 GLN 73 H -0.0084 0.0106 0.0110 730 GLN 73 HA -0.0181 0.0101 0.0208 731 GLN 73 HB2 -0.0028 0.0069 0.0156 732 GLN 73 HB3 -0.0077 0.0057 0.0229 733 GLN 73 HG2 -0.0087 0.0038 0.0287 734 GLN 73 HG3 -0.0042 0.0051 0.0213 735 GLN 73 HE21 -0.0008 -0.0017 0.0356 736 GLN 73 HE22 0.0075 -0.0044 0.0352 737 LEU 74 N -0.0151 0.0131 0.0097 738 LEU 74 CA -0.0176 0.0172 0.0055 739 LEU 74 C -0.0246 0.0224 0.0022 740 LEU 74 O -0.0285 0.0259 -0.0004 741 LEU 74 CB -0.0103 0.0183 -0.0001 742 LEU 74 CG -0.0115 0.0220 -0.0046 743 LEU 74 CD1 -0.0141 0.0197 0.0001 744 LEU 74 CD2 -0.0038 0.0227 -0.0099 745 LEU 74 H -0.0103 0.0126 0.0077 746 LEU 74 HA -0.0196 0.0155 0.0090 747 LEU 74 HB2 -0.0053 0.0145 0.0023 748 LEU 74 HB3 -0.0089 0.0201 -0.0035 749 LEU 74 HG -0.0161 0.0259 -0.0074 750 LEU 74 HD11 -0.0148 0.0223 -0.0032 751 LEU 74 HD12 -0.0097 0.0157 0.0030 752 LEU 74 HD13 -0.0198 0.0194 0.0036 753 LEU 74 HD21 0.0010 0.0188 -0.0072 754 LEU 74 HD22 -0.0047 0.0253 -0.0130 755 LEU 74 HD23 -0.0021 0.0244 -0.0134 756 SER 75 N -0.0286 0.0205 0.0026 757 SER 75 CA -0.0382 0.0250 -0.0014 758 SER 75 C -0.0346 0.0333 -0.0121 759 SER 75 O -0.0424 0.0388 -0.0176 760 SER 75 CB -0.0513 0.0254 0.0002 761 SER 75 OG -0.0608 0.0292 -0.0031 762 SER 75 H -0.0229 0.0163 0.0068 763 SER 75 HA -0.0382 0.0218 0.0026 764 SER 75 HB2 -0.0533 0.0194 0.0078 765 SER 75 HB3 -0.0512 0.0286 -0.0037 766 SER 75 HG -0.0677 0.0261 0.0019 767 VAL 76 N -0.0164 0.0285 -0.0056 768 VAL 76 CA -0.0133 0.0332 -0.0111 769 VAL 76 C -0.0136 0.0357 -0.0133 770 VAL 76 O -0.0167 0.0407 -0.0164 771 VAL 76 CB -0.0058 0.0314 -0.0128 772 VAL 76 CG1 -0.0027 0.0362 -0.0185 773 VAL 76 CG2 -0.0054 0.0288 -0.0107 774 VAL 76 H -0.0136 0.0247 -0.0035 775 VAL 76 HA -0.0163 0.0362 -0.0126 776 VAL 76 HB -0.0031 0.0283 -0.0112 777 VAL 76 HG11 0.0026 0.0349 -0.0195 778 VAL 76 HG12 -0.0055 0.0394 -0.0201 779 VAL 76 HG13 -0.0028 0.0379 -0.0199 780 VAL 76 HG21 -0.0001 0.0275 -0.0118 781 VAL 76 HG22 -0.0075 0.0253 -0.0066 782 VAL 76 HG23 -0.0083 0.0318 -0.0121 783 GLU 77 N -0.0169 0.0318 -0.0149 784 GLU 77 CA -0.0157 0.0329 -0.0159 785 GLU 77 C -0.0157 0.0258 -0.0112 786 GLU 77 O -0.0094 0.0213 -0.0093 787 GLU 77 CB -0.0075 0.0366 -0.0199 788 GLU 77 CG 0.0006 0.0330 -0.0190 789 GLU 77 CD 0.0084 0.0366 -0.0228 790 GLU 77 OE1 0.0095 0.0425 -0.0270 791 GLU 77 OE2 0.0136 0.0337 -0.0218 792 GLU 77 H -0.0142 0.0273 -0.0124 793 GLU 77 HA -0.0210 0.0364 -0.0173 794 GLU 77 HB2 -0.0065 0.0364 -0.0199 795 GLU 77 HB3 -0.0085 0.0421 -0.0234 796 GLU 77 HG2 -0.0002 0.0332 -0.0190 797 GLU 77 HG3 0.0015 0.0274 -0.0154 798 PRO 78 N -0.0312 0.0268 -0.0090 799 PRO 78 CA -0.0324 0.0171 -0.0021 800 PRO 78 C -0.0241 0.0187 -0.0048 801 PRO 78 O -0.0262 0.0277 -0.0106 802 PRO 78 CB -0.0477 0.0178 0.0003 803 PRO 78 CG -0.0545 0.0254 -0.0037 804 PRO 78 CD -0.0444 0.0336 -0.0113 805 PRO 78 HA -0.0288 0.0091 0.0028 806 PRO 78 HB2 -0.0495 0.0213 -0.0018 807 PRO 78 HB3 -0.0511 0.0094 0.0068 808 PRO 78 HG2 -0.0638 0.0300 -0.0051 809 PRO 78 HG3 -0.0568 0.0204 0.0002 810 PRO 78 HD2 -0.0454 0.0409 -0.0162 811 PRO 78 HD3 -0.0457 0.0362 -0.0129 812 TYR 79 N -0.0128 0.0047 -0.0036 813 TYR 79 CA -0.0037 0.0048 -0.0045 814 TYR 79 C 0.0071 0.0133 -0.0122 815 TYR 79 O 0.0048 0.0230 -0.0198 816 TYR 79 CB -0.0118 0.0062 -0.0049 817 TYR 79 CG -0.0210 -0.0031 0.0034 818 TYR 79 CD1 -0.0347 -0.0028 0.0044 819 TYR 79 CD2 -0.0160 -0.0122 0.0102 820 TYR 79 CE1 -0.0430 -0.0113 0.0120 821 TYR 79 CE2 -0.0243 -0.0208 0.0178 822 TYR 79 CZ -0.0378 -0.0203 0.0187 823 TYR 79 OH -0.0462 -0.0289 0.0263 824 TYR 79 H -0.0120 -0.0017 0.0015 825 TYR 79 HA 0.0020 -0.0031 0.0013 826 TYR 79 HB2 -0.0183 0.0137 -0.0103 827 TYR 79 HB3 -0.0043 0.0066 -0.0058 828 TYR 79 HD1 -0.0387 0.0043 -0.0009 829 TYR 79 HD2 -0.0054 -0.0126 0.0095 830 TYR 79 HE1 -0.0537 -0.0108 0.0126 831 TYR 79 HE2 -0.0202 -0.0279 0.0231 832 TYR 79 HH -0.0406 -0.0354 0.0310 833 SER 80 N 0.0208 0.0053 -0.0149 834 SER 80 CA 0.0247 0.0099 -0.0156 835 SER 80 C 0.0313 0.0090 -0.0141 836 SER 80 O 0.0323 0.0053 -0.0129 837 SER 80 CB 0.0243 0.0098 -0.0156 838 SER 80 OG 0.0277 0.0146 -0.0164 839 SER 80 H 0.0209 0.0014 -0.0138 840 SER 80 HA 0.0233 0.0141 -0.0171 841 SER 80 HB2 0.0196 0.0101 -0.0165 842 SER 80 HB3 0.0260 0.0057 -0.0141 843 SER 80 HG 0.0251 0.0180 -0.0178 844 GLN 81 N 0.0404 -0.0013 -0.0167 845 GLN 81 CA 0.0328 -0.0008 -0.0122 846 GLN 81 C 0.0298 0.0077 -0.0142 847 GLN 81 O 0.0321 0.0137 -0.0182 848 GLN 81 CB 0.0274 -0.0024 -0.0081 849 GLN 81 CG 0.0196 -0.0032 -0.0030 850 GLN 81 CD 0.0139 -0.0041 0.0010 851 GLN 81 OE1 0.0140 -0.0008 -0.0005 852 GLN 81 NE2 0.0090 -0.0084 0.0060 853 GLN 81 H 0.0415 -0.0013 -0.0173 854 GLN 81 HA 0.0331 -0.0053 -0.0103 855 GLN 81 HB2 0.0299 -0.0080 -0.0072 856 GLN 81 HB3 0.0265 0.0027 -0.0098 857 GLN 81 HG2 0.0173 0.0022 -0.0039 858 GLN 81 HG3 0.0205 -0.0085 -0.0011 859 GLN 81 HE21 0.0093 -0.0108 0.0068 860 GLN 81 HE22 0.0051 -0.0090 0.0087 861 GLU 82 N 0.0286 -0.0005 -0.0086 862 GLU 82 CA 0.0282 0.0007 -0.0078 863 GLU 82 C 0.0282 0.0014 -0.0073 864 GLU 82 O 0.0278 0.0023 -0.0067 865 GLU 82 CB 0.0291 0.0012 -0.0075 866 GLU 82 CG 0.0287 0.0024 -0.0067 867 GLU 82 CD 0.0295 0.0029 -0.0065 868 GLU 82 OE1 0.0307 0.0032 -0.0064 869 GLU 82 OE2 0.0290 0.0028 -0.0065 870 GLU 82 H 0.0279 -0.0011 -0.0089 871 GLU 82 HA 0.0271 0.0005 -0.0078 872 GLU 82 HB2 0.0290 0.0007 -0.0079 873 GLU 82 HB3 0.0301 0.0013 -0.0076 874 GLU 82 HG2 0.0288 0.0030 -0.0064 875 GLU 82 HG3 0.0276 0.0024 -0.0066 876 GLU 83 N 0.0350 -0.0045 -0.0087 877 GLU 83 CA 0.0291 -0.0060 -0.0055 878 GLU 83 C 0.0253 -0.0011 -0.0081 879 GLU 83 O 0.0247 -0.0017 -0.0074 880 GLU 83 CB 0.0244 -0.0077 -0.0026 881 GLU 83 CG 0.0180 -0.0094 0.0008 882 GLU 83 CD 0.0141 -0.0117 0.0039 883 GLU 83 OE1 0.0107 -0.0083 0.0025 884 GLU 83 OE2 0.0144 -0.0169 0.0079 885 GLU 83 H 0.0346 -0.0009 -0.0114 886 GLU 83 HA 0.0308 -0.0096 -0.0033 887 GLU 83 HB2 0.0273 -0.0113 -0.0008 888 GLU 83 HB3 0.0230 -0.0042 -0.0049 889 GLU 83 HG2 0.0147 -0.0057 -0.0009 890 GLU 83 HG3 0.0193 -0.0126 0.0029 891 ALA 84 N 0.0240 -0.0039 -0.0057 892 ALA 84 CA 0.0228 -0.0043 -0.0066 893 ALA 84 C 0.0233 -0.0038 -0.0070 894 ALA 84 O 0.0226 -0.0038 -0.0080 895 ALA 84 CB 0.0220 -0.0042 -0.0081 896 ALA 84 H 0.0247 -0.0032 -0.0064 897 ALA 84 HA 0.0220 -0.0050 -0.0058 898 ALA 84 HB1 0.0211 -0.0045 -0.0087 899 ALA 84 HB2 0.0228 -0.0034 -0.0089 900 ALA 84 HB3 0.0215 -0.0046 -0.0078 901 GLU 85 N 0.0225 -0.0156 -0.0072 902 GLU 85 CA 0.0158 -0.0189 -0.0039 903 GLU 85 C 0.0104 -0.0117 -0.0031 904 GLU 85 O 0.0106 -0.0083 -0.0038 905 GLU 85 CB 0.0171 -0.0243 -0.0034 906 GLU 85 CG 0.0107 -0.0294 0.0001 907 GLU 85 CD 0.0038 -0.0250 0.0020 908 GLU 85 OE1 0.0035 -0.0240 0.0020 909 GLU 85 OE2 -0.0014 -0.0226 0.0037 910 GLU 85 H 0.0226 -0.0099 -0.0083 911 GLU 85 HA 0.0137 -0.0222 -0.0025 912 GLU 85 HB2 0.0221 -0.0282 -0.0047 913 GLU 85 HB3 0.0180 -0.0206 -0.0045 914 GLU 85 HG2 0.0093 -0.0311 0.0010 915 GLU 85 HG3 0.0128 -0.0345 0.0002 916 ARG 86 N 0.0077 -0.0189 -0.0044 917 ARG 86 CA 0.0044 -0.0095 0.0006 918 ARG 86 C -0.0064 -0.0107 0.0048 919 ARG 86 O -0.0129 -0.0172 0.0052 920 ARG 86 CB 0.0068 -0.0008 0.0028 921 ARG 86 CG 0.0042 -0.0038 0.0028 922 ARG 86 CD -0.0071 -0.0069 0.0065 923 ARG 86 NE -0.0089 -0.0105 0.0060 924 ARG 86 CZ -0.0176 -0.0156 0.0079 925 ARG 86 NH1 -0.0257 -0.0173 0.0108 926 ARG 86 NH2 -0.0181 -0.0189 0.0069 927 ARG 86 H 0.0040 -0.0230 -0.0043 928 ARG 86 HA 0.0089 -0.0072 -0.0006 929 ARG 86 HB2 0.0027 0.0054 0.0069 930 ARG 86 HB3 0.0148 0.0020 0.0003 931 ARG 86 HG2 0.0067 0.0027 0.0041 932 ARG 86 HG3 0.0081 -0.0101 -0.0013 933 ARG 86 HD2 -0.0099 -0.0129 0.0055 934 ARG 86 HD3 -0.0109 -0.0003 0.0107 935 ARG 86 HE -0.0031 -0.0092 0.0040 936 ARG 86 HH11 -0.0258 -0.0150 0.0117 937 ARG 86 HH12 -0.0322 -0.0211 0.0122 938 ARG 86 HH21 -0.0122 -0.0177 0.0047 939 ARG 86 HH22 -0.0244 -0.0228 0.0082 940 ALA 87 N -0.0200 -0.0039 0.0070 941 ALA 87 CA -0.0348 -0.0034 0.0144 942 ALA 87 C -0.0392 0.0096 0.0140 943 ALA 87 O -0.0501 0.0176 0.0177 944 ALA 87 CB -0.0416 -0.0007 0.0173 945 ALA 87 H -0.0164 0.0037 0.0036 946 ALA 87 HA -0.0375 -0.0140 0.0180 947 ALA 87 HB1 -0.0387 0.0098 0.0136 948 ALA 87 HB2 -0.0384 -0.0099 0.0176 949 ALA 87 HB3 -0.0527 0.0001 0.0227 950 ALA 88 N -0.0351 0.0045 0.0114 951 ALA 88 CA -0.0365 0.0132 0.0104 952 ALA 88 C -0.0357 0.0053 0.0117 953 ALA 88 O -0.0270 0.0027 0.0059 954 ALA 88 CB -0.0283 0.0228 0.0022 955 ALA 88 H -0.0291 -0.0026 0.0086 956 ALA 88 HA -0.0446 0.0186 0.0151 957 ALA 88 HB1 -0.0202 0.0175 -0.0025 958 ALA 88 HB2 -0.0290 0.0283 0.0015 959 ALA 88 HB3 -0.0298 0.0294 0.0017 960 GLY 89 N -0.0500 -0.0132 0.0230 961 GLY 89 CA -0.0507 -0.0123 0.0228 962 GLY 89 C -0.0331 -0.0115 0.0205 963 GLY 89 O -0.0224 -0.0223 0.0234 964 GLY 89 H -0.0398 -0.0101 0.0207 965 GLY 89 HA2 -0.0567 -0.0228 0.0274 966 GLY 89 HA3 -0.0581 -0.0016 0.0196 967 MET 90 N -0.0429 -0.0078 0.0144 968 MET 90 CA -0.0187 -0.0027 0.0055 969 MET 90 C -0.0143 -0.0210 0.0147 970 MET 90 O -0.0011 -0.0420 0.0232 971 MET 90 CB 0.0079 -0.0027 -0.0010 972 MET 90 CG 0.0333 0.0075 -0.0131 973 MET 90 SD 0.0478 -0.0098 -0.0069 974 MET 90 CE 0.0774 0.0062 -0.0232 975 MET 90 H -0.0586 0.0054 0.0108 976 MET 90 HA -0.0239 0.0157 -0.0035 977 MET 90 HB2 0.0025 0.0085 -0.0060 978 MET 90 HB3 0.0141 -0.0216 0.0081 979 MET 90 HG2 0.0271 0.0265 -0.0222 980 MET 90 HG3 0.0494 0.0078 -0.0172 981 MET 90 HE1 0.0706 0.0256 -0.0324 982 MET 90 HE2 0.0885 -0.0023 -0.0212 983 MET 90 HE3 0.0910 0.0051 -0.0260 984 GLY 91 N 0.0617 -0.0034 -0.0246 985 GLY 91 CA 0.0727 0.0090 -0.0480 986 GLY 91 C 0.0741 -0.0078 -0.0232 987 GLY 91 O 0.1091 -0.0194 -0.0207 988 GLY 91 H 0.0807 -0.0213 -0.0057 989 GLY 91 HA2 0.0482 0.0283 -0.0667 990 GLY 91 HA3 0.1049 0.0111 -0.0649 991 SER 92 N -0.0001 -0.0128 0.0067 992 SER 92 CA -0.0146 -0.0263 0.0169 993 SER 92 C -0.0359 -0.0113 0.0187 994 SER 92 O -0.0501 -0.0008 0.0197 995 SER 92 CB -0.0214 -0.0456 0.0267 996 SER 92 OG -0.0010 -0.0593 0.0247 997 SER 92 H -0.0064 -0.0052 0.0060 998 SER 92 HA -0.0045 -0.0339 0.0163 999 SER 92 HB2 -0.0316 -0.0382 0.0275 1000 SER 92 HB3 -0.0316 -0.0565 0.0345 1001 SER 92 HG 0.0119 -0.0507 0.0169 1002 TYR 93 N -0.0486 0.0047 0.0094 1003 TYR 93 CA -0.0398 -0.0008 -0.0001 1004 TYR 93 C -0.0278 0.0081 0.0009 1005 TYR 93 O -0.0262 0.0176 0.0080 1006 TYR 93 CB -0.0374 -0.0074 -0.0070 1007 TYR 93 CG -0.0297 -0.0149 -0.0175 1008 TYR 93 CD1 -0.0355 -0.0254 -0.0233 1009 TYR 93 CD2 -0.0168 -0.0114 -0.0217 1010 TYR 93 CE1 -0.0286 -0.0323 -0.0329 1011 TYR 93 CE2 -0.0099 -0.0183 -0.0313 1012 TYR 93 CZ -0.0159 -0.0287 -0.0369 1013 TYR 93 OH -0.0090 -0.0356 -0.0464 1014 TYR 93 H -0.0467 0.0093 0.0122 1015 TYR 93 HA -0.0436 -0.0062 -0.0026 1016 TYR 93 HB2 -0.0462 -0.0123 -0.0063 1017 TYR 93 HB3 -0.0326 -0.0017 -0.0048 1018 TYR 93 HD1 -0.0455 -0.0282 -0.0202 1019 TYR 93 HD2 -0.0122 -0.0032 -0.0173 1020 TYR 93 HE1 -0.0333 -0.0405 -0.0373 1021 TYR 93 HE2 0.0001 -0.0155 -0.0345 1022 TYR 93 HH -0.0022 -0.0316 -0.0468 1023 VAL 94 N -0.0291 0.0180 -0.0428 1024 VAL 94 CA -0.0217 0.0168 -0.0337 1025 VAL 94 C -0.0551 -0.0194 -0.0336 1026 VAL 94 O -0.0621 -0.0538 -0.0070 1027 VAL 94 CB 0.0177 0.0203 0.0053 1028 VAL 94 CG1 0.0210 -0.0122 0.0412 1029 VAL 94 CG2 0.0248 0.0208 0.0125 1030 VAL 94 H -0.0120 0.0168 -0.0232 1031 VAL 94 HA -0.0208 0.0425 -0.0584 1032 VAL 94 HB 0.0396 0.0482 0.0010 1033 VAL 94 HG11 0.0485 -0.0085 0.0670 1034 VAL 94 HG12 -0.0013 -0.0408 0.0456 1035 VAL 94 HG13 0.0182 -0.0104 0.0363 1036 VAL 94 HG21 0.0024 -0.0063 0.0153 1037 VAL 94 HG22 0.0519 0.0230 0.0394 1038 VAL 94 HG23 0.0253 0.0459 -0.0121