1 ASP 28 N -0.0138 -0.0068 -0.0512 2 ASP 28 CA -0.0042 0.0041 -0.0323 3 ASP 28 C 0.0095 -0.0100 -0.0177 4 ASP 28 O 0.0135 -0.0300 -0.0203 5 ASP 28 CB -0.0046 0.0080 -0.0312 6 ASP 28 CG 0.0049 0.0194 -0.0121 7 ASP 28 OD1 0.0030 0.0388 -0.0067 8 ASP 28 OD2 0.0140 0.0096 -0.0028 9 ASP 28 H -0.0233 0.0023 -0.0616 10 ASP 28 HA -0.0070 0.0197 -0.0298 11 ASP 28 HB2 -0.0145 0.0181 -0.0417 12 ASP 28 HB3 -0.0022 -0.0077 -0.0342 13 PRO 29 N 0.0042 -0.0154 0.0343 14 PRO 29 CA 0.0161 0.0139 0.0062 15 PRO 29 C 0.0330 -0.0054 -0.0160 16 PRO 29 O 0.0459 -0.0389 -0.0273 17 PRO 29 CB 0.0280 0.0258 -0.0167 18 PRO 29 CG 0.0166 0.0132 0.0055 19 PRO 29 CD 0.0079 -0.0225 0.0303 20 PRO 29 HA 0.0048 0.0405 0.0170 21 PRO 29 HB2 0.0452 0.0101 -0.0405 22 PRO 29 HB3 0.0266 0.0584 -0.0240 23 PRO 29 HG2 0.0284 0.0042 -0.0112 24 PRO 29 HG3 0.0032 0.0381 0.0203 25 PRO 29 HD2 0.0199 -0.0509 0.0189 26 PRO 29 HD3 -0.0075 -0.0218 0.0553 27 ASN 30 N 0.0257 -0.0049 0.0005 28 ASN 30 CA 0.0278 -0.0056 -0.0089 29 ASN 30 C 0.0282 -0.0185 -0.0035 30 ASN 30 O 0.0310 -0.0312 -0.0096 31 ASN 30 CB 0.0316 -0.0068 -0.0257 32 ASN 30 CG 0.0341 -0.0080 -0.0367 33 ASN 30 OD1 0.0339 0.0036 -0.0422 34 ASN 30 ND2 0.0365 -0.0218 -0.0402 35 ASN 30 H 0.0237 0.0051 0.0045 36 ASN 30 HA 0.0262 0.0052 -0.0075 37 ASN 30 HB2 0.0310 0.0034 -0.0287 38 ASN 30 HB3 0.0328 -0.0168 -0.0259 39 ASN 30 HD21 0.0366 -0.0308 -0.0357 40 ASN 30 HD22 0.0381 -0.0228 -0.0472 41 ALA 31 N 0.0143 -0.0450 0.0244 42 ALA 31 CA 0.0147 -0.0460 0.0258 43 ALA 31 C 0.0151 -0.0432 0.0283 44 ALA 31 O 0.0158 -0.0433 0.0314 45 ALA 31 CB 0.0155 -0.0496 0.0275 46 ALA 31 H 0.0144 -0.0431 0.0256 47 ALA 31 HA 0.0142 -0.0462 0.0236 48 ALA 31 HB1 0.0158 -0.0503 0.0283 49 ALA 31 HB2 0.0161 -0.0495 0.0297 50 ALA 31 HB3 0.0153 -0.0516 0.0256 51 GLU 32 N 0.0156 -0.0130 0.0250 52 GLU 32 CA 0.0227 -0.0046 0.0246 53 GLU 32 C 0.0201 -0.0040 0.0208 54 GLU 32 O 0.0254 0.0013 0.0215 55 GLU 32 CB 0.0248 0.0038 0.0180 56 GLU 32 CG 0.0174 0.0050 0.0076 57 GLU 32 CD 0.0201 0.0137 0.0015 58 GLU 32 OE1 0.0234 0.0213 -0.0027 59 GLU 32 OE2 0.0191 0.0132 0.0007 60 GLU 32 H 0.0119 -0.0124 0.0196 61 GLU 32 HA 0.0281 -0.0051 0.0318 62 GLU 32 HB2 0.0301 0.0099 0.0180 63 GLU 32 HB3 0.0266 0.0031 0.0211 64 GLU 32 HG2 0.0121 -0.0009 0.0074 65 GLU 32 HG3 0.0154 0.0055 0.0046 66 PHE 33 N 0.0079 -0.0102 0.0073 67 PHE 33 CA 0.0059 -0.0104 0.0053 68 PHE 33 C 0.0034 -0.0103 0.0064 69 PHE 33 O 0.0032 -0.0099 0.0087 70 PHE 33 CB 0.0055 -0.0106 0.0044 71 PHE 33 CG 0.0050 -0.0103 0.0066 72 PHE 33 CD1 0.0025 -0.0101 0.0075 73 PHE 33 CD2 0.0069 -0.0101 0.0076 74 PHE 33 CE1 0.0020 -0.0098 0.0095 75 PHE 33 CE2 0.0065 -0.0099 0.0096 76 PHE 33 CZ 0.0040 -0.0097 0.0105 77 PHE 33 H 0.0079 -0.0100 0.0087 78 PHE 33 HA 0.0066 -0.0107 0.0037 79 PHE 33 HB2 0.0039 -0.0107 0.0031 80 PHE 33 HB3 0.0072 -0.0107 0.0034 81 PHE 33 HD1 0.0009 -0.0102 0.0067 82 PHE 33 HD2 0.0089 -0.0103 0.0069 83 PHE 33 HE1 0.0001 -0.0097 0.0102 84 PHE 33 HE2 0.0080 -0.0098 0.0104 85 PHE 33 HZ 0.0036 -0.0095 0.0121 86 ASP 34 N -0.0001 -0.0007 -0.0002 87 ASP 34 CA -0.0036 0.0002 0.0005 88 ASP 34 C -0.0067 0.0009 0.0007 89 ASP 34 O -0.0067 0.0008 -0.0016 90 ASP 34 CB -0.0046 0.0002 -0.0026 91 ASP 34 CG -0.0080 0.0011 -0.0017 92 ASP 34 OD1 -0.0111 0.0017 -0.0020 93 ASP 34 OD2 -0.0077 0.0010 -0.0006 94 ASP 34 H 0.0004 -0.0009 -0.0029 95 ASP 34 HA -0.0034 0.0002 0.0033 96 ASP 34 HB2 -0.0023 -0.0003 -0.0030 97 ASP 34 HB3 -0.0051 0.0002 -0.0052 98 PRO 35 N -0.0056 0.0048 0.0011 99 PRO 35 CA -0.0068 0.0074 0.0033 100 PRO 35 C -0.0104 0.0095 0.0004 101 PRO 35 O -0.0117 0.0119 0.0021 102 PRO 35 CB -0.0072 0.0102 0.0074 103 PRO 35 CG -0.0085 0.0105 0.0056 104 PRO 35 CD -0.0067 0.0066 0.0022 105 PRO 35 HA -0.0047 0.0060 0.0046 106 PRO 35 HB2 -0.0091 0.0129 0.0084 107 PRO 35 HB3 -0.0046 0.0091 0.0102 108 PRO 35 HG2 -0.0114 0.0126 0.0038 109 PRO 35 HG3 -0.0077 0.0113 0.0083 110 PRO 35 HD2 -0.0085 0.0068 -0.0008 111 PRO 35 HD3 -0.0043 0.0051 0.0039 112 ASP 36 N -0.0127 0.0066 -0.0013 113 ASP 36 CA -0.0175 0.0013 -0.0022 114 ASP 36 C -0.0165 -0.0035 -0.0062 115 ASP 36 O -0.0179 -0.0084 -0.0089 116 ASP 36 CB -0.0236 0.0020 0.0018 117 ASP 36 CG -0.0287 -0.0034 0.0010 118 ASP 36 OD1 -0.0303 -0.0049 0.0008 119 ASP 36 OD2 -0.0314 -0.0062 0.0005 120 ASP 36 H -0.0129 0.0086 0.0002 121 ASP 36 HA -0.0172 0.0004 -0.0030 122 ASP 36 HB2 -0.0243 0.0053 0.0045 123 ASP 36 HB3 -0.0237 0.0033 0.0028 124 LEU 37 N -0.0101 -0.0002 -0.0081 125 LEU 37 CA -0.0098 -0.0011 -0.0089 126 LEU 37 C -0.0077 -0.0009 -0.0123 127 LEU 37 O -0.0063 0.0016 -0.0135 128 LEU 37 CB -0.0104 0.0011 -0.0068 129 LEU 37 CG -0.0127 0.0004 -0.0034 130 LEU 37 CD1 -0.0138 -0.0034 -0.0033 131 LEU 37 CD2 -0.0136 0.0012 -0.0015 132 LEU 37 H -0.0098 0.0022 -0.0074 133 LEU 37 HA -0.0108 -0.0038 -0.0085 134 LEU 37 HB2 -0.0097 0.0038 -0.0067 135 LEU 37 HB3 -0.0098 0.0009 -0.0079 136 LEU 37 HG -0.0128 0.0020 -0.0023 137 LEU 37 HD11 -0.0153 -0.0038 -0.0010 138 LEU 37 HD12 -0.0136 -0.0051 -0.0044 139 LEU 37 HD13 -0.0132 -0.0038 -0.0046 140 LEU 37 HD21 -0.0151 0.0006 0.0008 141 LEU 37 HD22 -0.0128 0.0039 -0.0014 142 LEU 37 HD23 -0.0134 -0.0004 -0.0026 143 PRO 38 N -0.0064 -0.0020 -0.0127 144 PRO 38 CA -0.0030 -0.0027 -0.0166 145 PRO 38 C -0.0034 0.0016 -0.0169 146 PRO 38 O -0.0062 0.0023 -0.0136 147 PRO 38 CB -0.0028 -0.0088 -0.0158 148 PRO 38 CG -0.0051 -0.0118 -0.0126 149 PRO 38 CD -0.0081 -0.0074 -0.0097 150 PRO 38 HA -0.0005 -0.0022 -0.0196 151 PRO 38 HB2 -0.0039 -0.0087 -0.0145 152 PRO 38 HB3 0.0001 -0.0108 -0.0189 153 PRO 38 HG2 -0.0062 -0.0152 -0.0106 154 PRO 38 HG3 -0.0033 -0.0136 -0.0143 155 PRO 38 HD2 -0.0105 -0.0071 -0.0069 156 PRO 38 HD3 -0.0089 -0.0083 -0.0087 157 GLY 39 N -0.0017 0.0034 -0.0227 158 GLY 39 CA -0.0034 0.0072 -0.0231 159 GLY 39 C -0.0052 0.0103 -0.0223 160 GLY 39 O -0.0070 0.0134 -0.0212 161 GLY 39 H -0.0003 0.0023 -0.0252 162 GLY 39 HA2 -0.0028 0.0080 -0.0262 163 GLY 39 HA3 -0.0041 0.0072 -0.0209 164 GLY 40 N -0.0037 0.0069 -0.0157 165 GLY 40 CA -0.0028 0.0080 -0.0128 166 GLY 40 C -0.0025 0.0085 -0.0112 167 GLY 40 O -0.0016 0.0096 -0.0089 168 GLY 40 H -0.0050 0.0054 -0.0159 169 GLY 40 HA2 -0.0038 0.0070 -0.0115 170 GLY 40 HA3 -0.0014 0.0096 -0.0132 171 GLY 41 N -0.0057 0.0061 -0.0108 172 GLY 41 CA -0.0067 0.0062 -0.0082 173 GLY 41 C -0.0070 0.0086 -0.0079 174 GLY 41 O -0.0079 0.0093 -0.0058 175 GLY 41 H -0.0051 0.0046 -0.0119 176 GLY 41 HA2 -0.0067 0.0043 -0.0077 177 GLY 41 HA3 -0.0073 0.0065 -0.0068 178 LEU 42 N -0.0024 0.0080 -0.0085 179 LEU 42 CA 0.0000 0.0111 -0.0092 180 LEU 42 C 0.0004 0.0118 -0.0124 181 LEU 42 O 0.0023 0.0143 -0.0131 182 LEU 42 CB 0.0009 0.0123 -0.0103 183 LEU 42 CG 0.0007 0.0118 -0.0074 184 LEU 42 CD1 0.0016 0.0130 -0.0088 185 LEU 42 CD2 0.0019 0.0131 -0.0037 186 LEU 42 H -0.0033 0.0069 -0.0099 187 LEU 42 HA 0.0010 0.0121 -0.0068 188 LEU 42 HB2 -0.0000 0.0112 -0.0128 189 LEU 42 HB3 0.0027 0.0146 -0.0108 190 LEU 42 HG -0.0011 0.0095 -0.0069 191 LEU 42 HD11 0.0014 0.0127 -0.0067 192 LEU 42 HD12 0.0033 0.0154 -0.0094 193 LEU 42 HD13 0.0006 0.0119 -0.0113 194 LEU 42 HD21 0.0037 0.0155 -0.0041 195 LEU 42 HD22 0.0017 0.0128 -0.0017 196 LEU 42 HD23 0.0012 0.0121 -0.0026 197 HIS 43 N -0.0135 0.0105 -0.0109 198 HIS 43 CA -0.0138 0.0098 -0.0060 199 HIS 43 C -0.0106 0.0072 -0.0008 200 HIS 43 O -0.0056 0.0043 -0.0012 201 HIS 43 CB -0.0113 0.0088 -0.0083 202 HIS 43 CG -0.0136 0.0111 -0.0140 203 HIS 43 ND1 -0.0184 0.0138 -0.0137 204 HIS 43 CD2 -0.0118 0.0111 -0.0202 205 HIS 43 CE1 -0.0194 0.0154 -0.0194 206 HIS 43 NE2 -0.0154 0.0138 -0.0234 207 HIS 43 H -0.0099 0.0088 -0.0126 208 HIS 43 HA -0.0180 0.0120 -0.0042 209 HIS 43 HB2 -0.0068 0.0064 -0.0091 210 HIS 43 HB3 -0.0121 0.0086 -0.0045 211 HIS 43 HD1 -0.0208 0.0146 -0.0099 212 HIS 43 HD2 -0.0081 0.0094 -0.0222 213 HIS 43 HE1 -0.0228 0.0175 -0.0205 214 HIS 43 HE2 -0.0156 0.0147 -0.0280 215 ARG 44 N -0.0089 0.0056 0.0016 216 ARG 44 CA -0.0090 0.0038 0.0037 217 ARG 44 C -0.0096 0.0038 0.0052 218 ARG 44 O -0.0104 0.0056 0.0052 219 ARG 44 CB -0.0099 0.0044 0.0054 220 ARG 44 CG -0.0098 0.0052 0.0042 221 ARG 44 CD -0.0109 0.0060 0.0060 222 ARG 44 NE -0.0109 0.0069 0.0050 223 ARG 44 CZ -0.0117 0.0074 0.0063 224 ARG 44 NH1 -0.0126 0.0072 0.0087 225 ARG 44 NH2 -0.0117 0.0082 0.0052 226 ARG 44 H -0.0098 0.0072 0.0018 227 ARG 44 HA -0.0080 0.0021 0.0033 228 ARG 44 HB2 -0.0110 0.0058 0.0063 229 ARG 44 HB3 -0.0098 0.0029 0.0067 230 ARG 44 HG2 -0.0088 0.0037 0.0035 231 ARG 44 HG3 -0.0099 0.0066 0.0028 232 ARG 44 HD2 -0.0119 0.0073 0.0068 233 ARG 44 HD3 -0.0108 0.0045 0.0074 234 ARG 44 HE -0.0103 0.0071 0.0032 235 ARG 44 HH11 -0.0127 0.0066 0.0096 236 ARG 44 HH12 -0.0132 0.0076 0.0097 237 ARG 44 HH21 -0.0110 0.0084 0.0035 238 ARG 44 HH22 -0.0123 0.0086 0.0062 239 CYS 45 N -0.0060 0.0028 0.0067 240 CYS 45 CA -0.0058 0.0026 0.0057 241 CYS 45 C -0.0059 0.0027 0.0048 242 CYS 45 O -0.0064 0.0034 0.0047 243 CYS 45 CB -0.0062 0.0031 0.0054 244 CYS 45 SG -0.0060 0.0030 0.0041 245 CYS 45 H -0.0065 0.0034 0.0069 246 CYS 45 HA -0.0053 0.0019 0.0057 247 CYS 45 HB2 -0.0061 0.0029 0.0060 248 CYS 45 HB3 -0.0067 0.0038 0.0056 249 LEU 46 N -0.0039 0.0066 0.0034 250 LEU 46 CA -0.0043 0.0066 0.0055 251 LEU 46 C -0.0053 0.0052 0.0055 252 LEU 46 O -0.0063 0.0042 0.0070 253 LEU 46 CB -0.0032 0.0084 0.0064 254 LEU 46 CG -0.0023 0.0099 0.0066 255 LEU 46 CD1 -0.0012 0.0117 0.0073 256 LEU 46 CD2 -0.0029 0.0094 0.0081 257 LEU 46 H -0.0030 0.0077 0.0027 258 LEU 46 HA -0.0048 0.0061 0.0065 259 LEU 46 HB2 -0.0027 0.0088 0.0054 260 LEU 46 HB3 -0.0036 0.0084 0.0080 261 LEU 46 HG -0.0020 0.0099 0.0050 262 LEU 46 HD11 -0.0007 0.0121 0.0062 263 LEU 46 HD12 -0.0005 0.0127 0.0075 264 LEU 46 HD13 -0.0015 0.0116 0.0089 265 LEU 46 HD21 -0.0036 0.0082 0.0075 266 LEU 46 HD22 -0.0033 0.0093 0.0097 267 LEU 46 HD23 -0.0022 0.0105 0.0082 268 ALA 47 N 0.0008 0.0043 0.0002 269 ALA 47 CA -0.0004 0.0046 -0.0019 270 ALA 47 C -0.0027 0.0055 -0.0015 271 ALA 47 O -0.0042 0.0059 -0.0030 272 ALA 47 CB 0.0005 0.0039 -0.0036 273 ALA 47 H 0.0020 0.0039 0.0004 274 ALA 47 HA -0.0005 0.0045 -0.0025 275 ALA 47 HB1 -0.0004 0.0041 -0.0052 276 ALA 47 HB2 0.0005 0.0040 -0.0030 277 ALA 47 HB3 0.0022 0.0033 -0.0038 278 CYS 48 N -0.0047 0.0074 -0.0018 279 CYS 48 CA -0.0068 0.0094 -0.0011 280 CYS 48 C -0.0075 0.0099 0.0005 281 CYS 48 O -0.0093 0.0116 0.0008 282 CYS 48 CB -0.0076 0.0100 0.0003 283 CYS 48 SG -0.0072 0.0099 -0.0018 284 CYS 48 H -0.0038 0.0063 -0.0004 285 CYS 48 HA -0.0075 0.0103 -0.0031 286 CYS 48 HB2 -0.0069 0.0090 0.0021 287 CYS 48 HB3 -0.0091 0.0115 0.0008 288 ALA 49 N -0.0075 0.0070 0.0047 289 ALA 49 CA -0.0077 0.0057 0.0065 290 ALA 49 C -0.0096 0.0051 0.0069 291 ALA 49 O -0.0104 0.0041 0.0082 292 ALA 49 CB -0.0074 0.0055 0.0068 293 ALA 49 H -0.0063 0.0074 0.0044 294 ALA 49 HA -0.0065 0.0054 0.0071 295 ALA 49 HB1 -0.0086 0.0058 0.0062 296 ALA 49 HB2 -0.0060 0.0060 0.0065 297 ALA 49 HB3 -0.0075 0.0046 0.0081 298 ARG 50 N -0.0037 0.0020 0.0044 299 ARG 50 CA -0.0106 0.0022 0.0084 300 ARG 50 C -0.0124 -0.0035 0.0126 301 ARG 50 O -0.0100 -0.0053 0.0122 302 ARG 50 CB -0.0153 0.0090 0.0074 303 ARG 50 CG -0.0143 0.0151 0.0035 304 ARG 50 CD -0.0191 0.0217 0.0028 305 ARG 50 NE -0.0181 0.0277 -0.0011 306 ARG 50 CZ -0.0214 0.0341 -0.0028 307 ARG 50 NH1 -0.0261 0.0354 -0.0007 308 ARG 50 NH2 -0.0200 0.0392 -0.0064 309 ARG 50 H -0.0023 0.0035 0.0028 310 ARG 50 HA -0.0112 0.0013 0.0092 311 ARG 50 HB2 -0.0146 0.0099 0.0066 312 ARG 50 HB3 -0.0204 0.0086 0.0107 313 ARG 50 HG2 -0.0151 0.0143 0.0044 314 ARG 50 HG3 -0.0092 0.0156 0.0002 315 ARG 50 HD2 -0.0184 0.0224 0.0019 316 ARG 50 HD3 -0.0242 0.0212 0.0060 317 ARG 50 HE -0.0148 0.0266 -0.0026 318 ARG 50 HH11 -0.0273 0.0317 0.0020 319 ARG 50 HH12 -0.0286 0.0402 -0.0018 320 ARG 50 HH21 -0.0166 0.0384 -0.0080 321 ARG 50 HH22 -0.0223 0.0441 -0.0077 322 TYR 51 N -0.0094 -0.0035 0.0022 323 TYR 51 CA -0.0093 -0.0017 0.0001 324 TYR 51 C -0.0080 -0.0026 -0.0021 325 TYR 51 O -0.0069 -0.0047 -0.0026 326 TYR 51 CB -0.0092 -0.0015 -0.0003 327 TYR 51 CG -0.0104 -0.0008 0.0019 328 TYR 51 CD1 -0.0104 -0.0027 0.0037 329 TYR 51 CD2 -0.0116 0.0016 0.0022 330 TYR 51 CE1 -0.0115 -0.0021 0.0057 331 TYR 51 CE2 -0.0127 0.0022 0.0042 332 TYR 51 CZ -0.0127 0.0003 0.0059 333 TYR 51 OH -0.0138 0.0009 0.0080 334 TYR 51 H -0.0088 -0.0050 0.0022 335 TYR 51 HA -0.0102 0.0001 0.0005 336 TYR 51 HB2 -0.0083 -0.0032 -0.0007 337 TYR 51 HB3 -0.0091 -0.0000 -0.0019 338 TYR 51 HD1 -0.0095 -0.0046 0.0035 339 TYR 51 HD2 -0.0116 0.0031 0.0008 340 TYR 51 HE1 -0.0115 -0.0036 0.0071 341 TYR 51 HE2 -0.0136 0.0041 0.0044 342 TYR 51 HH -0.0134 -0.0003 0.0082 343 PHE 52 N -0.0036 0.0012 -0.0017 344 PHE 52 CA -0.0028 0.0011 -0.0008 345 PHE 52 C -0.0040 0.0014 -0.0046 346 PHE 52 O -0.0070 0.0017 -0.0067 347 PHE 52 CB -0.0053 0.0011 0.0029 348 PHE 52 CG -0.0043 0.0009 0.0069 349 PHE 52 CD1 -0.0062 0.0010 0.0077 350 PHE 52 CD2 -0.0016 0.0005 0.0097 351 PHE 52 CE1 -0.0053 0.0007 0.0112 352 PHE 52 CE2 -0.0007 0.0003 0.0133 353 PHE 52 CZ -0.0025 0.0004 0.0140 354 PHE 52 H -0.0065 0.0014 -0.0020 355 PHE 52 HA 0.0004 0.0009 -0.0002 356 PHE 52 HB2 -0.0086 0.0014 0.0023 357 PHE 52 HB3 -0.0047 0.0010 0.0035 358 PHE 52 HD1 -0.0083 0.0012 0.0054 359 PHE 52 HD2 -0.0001 0.0005 0.0091 360 PHE 52 HE1 -0.0067 0.0008 0.0118 361 PHE 52 HE2 0.0015 0.0000 0.0155 362 PHE 52 HZ -0.0018 0.0002 0.0168 363 ILE 53 N 0.0072 -0.0066 -0.0118 364 ILE 53 CA 0.0093 -0.0009 -0.0252 365 ILE 53 C 0.0008 0.0066 -0.0282 366 ILE 53 O -0.0022 0.0140 -0.0381 367 ILE 53 CB 0.0220 -0.0065 -0.0312 368 ILE 53 CG1 0.0249 -0.0120 -0.0247 369 ILE 53 CG2 0.0305 -0.0126 -0.0308 370 ILE 53 CD1 0.0372 -0.0175 -0.0303 371 ILE 53 H 0.0137 -0.0131 -0.0081 372 ILE 53 HA 0.0080 0.0023 -0.0294 373 ILE 53 HB 0.0226 -0.0017 -0.0409 374 ILE 53 HG12 0.0240 -0.0166 -0.0149 375 ILE 53 HG13 0.0188 -0.0073 -0.0254 376 ILE 53 HG21 0.0296 -0.0171 -0.0211 377 ILE 53 HG22 0.0286 -0.0085 -0.0360 378 ILE 53 HG23 0.0394 -0.0165 -0.0349 379 ILE 53 HD11 0.0382 -0.0130 -0.0400 380 ILE 53 HD12 0.0385 -0.0212 -0.0251 381 ILE 53 HD13 0.0435 -0.0222 -0.0297 382 ASP 54 N 0.0010 0.0035 -0.0149 383 ASP 54 CA -0.0067 0.0051 -0.0150 384 ASP 54 C -0.0127 0.0043 -0.0063 385 ASP 54 O -0.0094 0.0021 0.0006 386 ASP 54 CB -0.0031 0.0045 -0.0156 387 ASP 54 CG -0.0105 0.0061 -0.0163 388 ASP 54 OD1 -0.0137 0.0085 -0.0239 389 ASP 54 OD2 -0.0134 0.0051 -0.0092 390 ASP 54 H 0.0034 0.0018 -0.0091 391 ASP 54 HA -0.0106 0.0072 -0.0209 392 ASP 54 HB2 0.0015 0.0050 -0.0216 393 ASP 54 HB3 0.0008 0.0024 -0.0096 394 SER 55 N -0.0106 0.0024 0.0002 395 SER 55 CA -0.0155 -0.0004 0.0044 396 SER 55 C -0.0129 -0.0028 0.0109 397 SER 55 O -0.0145 -0.0050 0.0151 398 SER 55 CB -0.0218 -0.0007 0.0026 399 SER 55 OG -0.0268 -0.0035 0.0067 400 SER 55 H -0.0115 0.0036 -0.0028 401 SER 55 HA -0.0167 -0.0004 0.0040 402 SER 55 HB2 -0.0237 0.0009 -0.0018 403 SER 55 HB3 -0.0206 -0.0004 0.0023 404 SER 55 HG -0.0262 -0.0048 0.0099 405 THR 56 N -0.0170 -0.0087 0.0171 406 THR 56 CA -0.0158 -0.0073 0.0252 407 THR 56 C -0.0114 -0.0014 0.0246 408 THR 56 O -0.0114 -0.0014 0.0283 409 THR 56 CB -0.0146 -0.0059 0.0312 410 THR 56 OG1 -0.0185 -0.0112 0.0309 411 THR 56 CG2 -0.0141 -0.0054 0.0399 412 THR 56 H -0.0167 -0.0082 0.0164 413 THR 56 HA -0.0189 -0.0116 0.0273 414 THR 56 HB -0.0113 -0.0013 0.0293 415 THR 56 HG1 -0.0178 -0.0101 0.0262 416 THR 56 HG21 -0.0132 -0.0044 0.0440 417 THR 56 HG22 -0.0174 -0.0100 0.0417 418 THR 56 HG23 -0.0112 -0.0014 0.0402 419 ASN 57 N -0.0099 -0.0012 0.0183 420 ASN 57 CA -0.0057 0.0000 0.0194 421 ASN 57 C -0.0086 -0.0011 0.0197 422 ASN 57 O -0.0068 -0.0015 0.0233 423 ASN 57 CB -0.0014 0.0030 0.0148 424 ASN 57 CG 0.0035 0.0044 0.0161 425 ASN 57 OD1 0.0080 0.0052 0.0190 426 ASN 57 ND2 0.0028 0.0048 0.0139 427 ASN 57 H -0.0099 -0.0001 0.0144 428 ASN 57 HA -0.0035 -0.0004 0.0237 429 ASN 57 HB2 -0.0037 0.0033 0.0106 430 ASN 57 HB3 0.0003 0.0037 0.0143 431 ASN 57 HD21 -0.0007 0.0042 0.0115 432 ASN 57 HD22 0.0060 0.0057 0.0147 433 LEU 58 N -0.0080 -0.0006 0.0149 434 LEU 58 CA -0.0084 -0.0009 0.0145 435 LEU 58 C -0.0094 -0.0013 0.0161 436 LEU 58 O -0.0090 -0.0010 0.0168 437 LEU 58 CB -0.0093 -0.0015 0.0126 438 LEU 58 CG -0.0101 -0.0020 0.0120 439 LEU 58 CD1 -0.0117 -0.0029 0.0129 440 LEU 58 CD2 -0.0090 -0.0013 0.0123 441 LEU 58 H -0.0085 -0.0009 0.0142 442 LEU 58 HA -0.0073 -0.0002 0.0143 443 LEU 58 HB2 -0.0085 -0.0011 0.0115 444 LEU 58 HB3 -0.0103 -0.0020 0.0127 445 LEU 58 HG -0.0104 -0.0023 0.0105 446 LEU 58 HD11 -0.0123 -0.0032 0.0125 447 LEU 58 HD12 -0.0116 -0.0027 0.0144 448 LEU 58 HD13 -0.0125 -0.0034 0.0126 449 LEU 58 HD21 -0.0088 -0.0011 0.0137 450 LEU 58 HD22 -0.0096 -0.0017 0.0118 451 LEU 58 HD23 -0.0079 -0.0007 0.0115 452 LYS 59 N -0.0095 -0.0077 0.0188 453 LYS 59 CA -0.0075 -0.0080 0.0159 454 LYS 59 C -0.0100 -0.0062 0.0135 455 LYS 59 O -0.0091 -0.0059 0.0101 456 LYS 59 CB -0.0048 -0.0097 0.0176 457 LYS 59 CG -0.0063 -0.0096 0.0205 458 LYS 59 CD -0.0034 -0.0114 0.0222 459 LYS 59 CE -0.0011 -0.0119 0.0193 460 LYS 59 NZ -0.0032 -0.0105 0.0177 461 LYS 59 H -0.0093 -0.0083 0.0216 462 LYS 59 HA -0.0061 -0.0082 0.0139 463 LYS 59 HB2 -0.0032 -0.0100 0.0153 464 LYS 59 HB3 -0.0030 -0.0109 0.0191 465 LYS 59 HG2 -0.0079 -0.0093 0.0227 466 LYS 59 HG3 -0.0079 -0.0085 0.0190 467 LYS 59 HD2 -0.0017 -0.0125 0.0234 468 LYS 59 HD3 -0.0046 -0.0113 0.0245 469 LYS 59 HE2 -0.0000 -0.0119 0.0170 470 LYS 59 HE3 0.0010 -0.0132 0.0207 471 LYS 59 HZ1 -0.0041 -0.0105 0.0198 472 LYS 59 HZ2 -0.0016 -0.0109 0.0157 473 LYS 59 HZ3 -0.0053 -0.0092 0.0163 474 THR 60 N -0.0075 -0.0033 0.0214 475 THR 60 CA -0.0137 -0.0032 0.0146 476 THR 60 C -0.0167 -0.0037 0.0131 477 THR 60 O -0.0189 -0.0025 0.0063 478 THR 60 CB -0.0208 -0.0055 0.0162 479 THR 60 OG1 -0.0178 -0.0050 0.0173 480 THR 60 CG2 -0.0273 -0.0055 0.0091 481 THR 60 H -0.0087 -0.0049 0.0264 482 THR 60 HA -0.0108 -0.0011 0.0093 483 THR 60 HB -0.0233 -0.0076 0.0216 484 THR 60 HG1 -0.0148 -0.0056 0.0225 485 THR 60 HG21 -0.0321 -0.0071 0.0105 486 THR 60 HG22 -0.0246 -0.0034 0.0037 487 THR 60 HG23 -0.0296 -0.0059 0.0083 488 HIS 61 N -0.0073 -0.0009 0.0164 489 HIS 61 CA -0.0068 0.0008 0.0136 490 HIS 61 C -0.0051 0.0004 0.0108 491 HIS 61 O -0.0050 0.0024 0.0086 492 HIS 61 CB -0.0062 0.0002 0.0132 493 HIS 61 CG -0.0050 0.0010 0.0100 494 HIS 61 ND1 -0.0057 0.0039 0.0085 495 HIS 61 CD2 -0.0031 -0.0008 0.0081 496 HIS 61 CE1 -0.0043 0.0038 0.0057 497 HIS 61 NE2 -0.0027 0.0010 0.0054 498 HIS 61 H -0.0071 -0.0025 0.0175 499 HIS 61 HA -0.0081 0.0031 0.0137 500 HIS 61 HB2 -0.0076 0.0014 0.0145 501 HIS 61 HB3 -0.0054 -0.0022 0.0140 502 HIS 61 HD1 -0.0071 0.0057 0.0092 503 HIS 61 HD2 -0.0021 -0.0032 0.0085 504 HIS 61 HE1 -0.0041 0.0055 0.0037 505 PHE 62 N -0.0010 0.0019 0.0056 506 PHE 62 CA 0.0000 0.0011 0.0034 507 PHE 62 C 0.0001 0.0012 0.0025 508 PHE 62 O 0.0009 0.0005 0.0008 509 PHE 62 CB 0.0019 -0.0006 0.0035 510 PHE 62 CG 0.0021 -0.0008 0.0045 511 PHE 62 CD1 0.0012 0.0000 0.0036 512 PHE 62 CD2 0.0031 -0.0019 0.0064 513 PHE 62 CE1 0.0014 -0.0002 0.0047 514 PHE 62 CE2 0.0033 -0.0022 0.0074 515 PHE 62 CZ 0.0024 -0.0013 0.0066 516 PHE 62 H -0.0004 0.0013 0.0071 517 PHE 62 HA -0.0006 0.0019 0.0021 518 PHE 62 HB2 0.0027 -0.0014 0.0044 519 PHE 62 HB3 0.0024 -0.0009 0.0016 520 PHE 62 HD1 0.0004 0.0009 0.0021 521 PHE 62 HD2 0.0038 -0.0026 0.0071 522 PHE 62 HE1 0.0007 0.0005 0.0039 523 PHE 62 HE2 0.0041 -0.0030 0.0089 524 PHE 62 HZ 0.0026 -0.0015 0.0075 525 ARG 63 N 0.0059 -0.0032 0.0299 526 ARG 63 CA 0.0016 0.0037 0.0038 527 ARG 63 C -0.0046 -0.0042 0.0027 528 ARG 63 O -0.0097 -0.0008 -0.0181 529 ARG 63 CB -0.0112 -0.0035 -0.0168 530 ARG 63 CG -0.0039 0.0081 -0.0199 531 ARG 63 CD -0.0170 0.0003 -0.0404 532 ARG 63 NE -0.0235 0.0041 -0.0659 533 ARG 63 CZ -0.0330 0.0021 -0.0883 534 ARG 63 NH1 -0.0365 -0.0023 -0.0889 535 ARG 63 NH2 -0.0388 0.0051 -0.1100 536 ARG 63 H -0.0018 -0.0157 0.0335 537 ARG 63 HA 0.0134 0.0219 0.0002 538 ARG 63 HB2 -0.0223 -0.0214 -0.0115 539 ARG 63 HB3 -0.0150 0.0005 -0.0353 540 ARG 63 HG2 0.0070 0.0260 -0.0257 541 ARG 63 HG3 0.0002 0.0045 -0.0014 542 ARG 63 HD2 -0.0111 0.0094 -0.0423 543 ARG 63 HD3 -0.0277 -0.0175 -0.0341 544 ARG 63 HE -0.0207 0.0079 -0.0659 545 ARG 63 HH11 -0.0321 -0.0043 -0.0729 546 ARG 63 HH12 -0.0437 -0.0039 -0.1055 547 ARG 63 HH21 -0.0361 0.0088 -0.1100 548 ARG 63 HH22 -0.0460 0.0038 -0.1273 549 SER 64 N 0.0098 0.0053 0.0045 550 SER 64 CA 0.0114 0.0079 0.0034 551 SER 64 C 0.0117 0.0066 0.0021 552 SER 64 O 0.0125 0.0047 -0.0003 553 SER 64 CB 0.0132 0.0089 0.0009 554 SER 64 OG 0.0129 0.0093 0.0018 555 SER 64 H 0.0101 0.0039 0.0032 556 SER 64 HA 0.0110 0.0100 0.0052 557 SER 64 HB2 0.0137 0.0070 -0.0010 558 SER 64 HB3 0.0144 0.0111 0.0004 559 SER 64 HG 0.0127 0.0113 0.0032 560 LYS 65 N 0.0267 0.0034 -0.0018 561 LYS 65 CA 0.0104 -0.0036 0.0054 562 LYS 65 C 0.0102 -0.0027 0.0003 563 LYS 65 O -0.0049 -0.0072 -0.0033 564 LYS 65 CB 0.0073 -0.0089 0.0278 565 LYS 65 CG 0.0247 -0.0057 0.0427 566 LYS 65 CD 0.0319 -0.0035 0.0443 567 LYS 65 CE 0.0490 -0.0004 0.0591 568 LYS 65 NZ 0.0570 0.0022 0.0601 569 LYS 65 H 0.0356 0.0047 0.0076 570 LYS 65 HA -0.0018 -0.0062 -0.0032 571 LYS 65 HB2 -0.0036 -0.0135 0.0324 572 LYS 65 HB3 0.0022 -0.0109 0.0292 573 LYS 65 HG2 0.0208 -0.0098 0.0572 574 LYS 65 HG3 0.0361 -0.0009 0.0382 575 LYS 65 HD2 0.0359 0.0006 0.0300 576 LYS 65 HD3 0.0205 -0.0083 0.0492 577 LYS 65 HE2 0.0445 -0.0046 0.0736 578 LYS 65 HE3 0.0598 0.0042 0.0548 579 LYS 65 HZ1 0.0469 -0.0020 0.0642 580 LYS 65 HZ2 0.0619 0.0065 0.0466 581 LYS 65 HZ3 0.0684 0.0042 0.0706 582 ASP 66 N 0.0154 0.0037 0.0003 583 ASP 66 CA 0.0093 0.0055 -0.0092 584 ASP 66 C 0.0062 0.0085 -0.0136 585 ASP 66 O 0.0016 0.0063 -0.0216 586 ASP 66 CB 0.0074 0.0139 -0.0101 587 ASP 66 CG 0.0014 0.0148 -0.0197 588 ASP 66 OD1 0.0004 0.0095 -0.0227 589 ASP 66 OD2 -0.0024 0.0210 -0.0243 590 ASP 66 H 0.0175 0.0088 0.0050 591 ASP 66 HA 0.0084 -0.0017 -0.0126 592 ASP 66 HB2 0.0102 0.0123 -0.0060 593 ASP 66 HB3 0.0079 0.0213 -0.0075 594 HIS 67 N 0.0051 0.0044 -0.0115 595 HIS 67 CA 0.0053 0.0042 -0.0109 596 HIS 67 C 0.0067 0.0024 -0.0115 597 HIS 67 O 0.0068 0.0021 -0.0127 598 HIS 67 CB 0.0052 0.0048 -0.0084 599 HIS 67 CG 0.0052 0.0049 -0.0076 600 HIS 67 ND1 0.0046 0.0054 -0.0089 601 HIS 67 CD2 0.0054 0.0050 -0.0054 602 HIS 67 CE1 0.0043 0.0060 -0.0077 603 HIS 67 NE2 0.0048 0.0058 -0.0055 604 HIS 67 H 0.0050 0.0047 -0.0103 605 HIS 67 HA 0.0044 0.0051 -0.0120 606 HIS 67 HB2 0.0041 0.0061 -0.0079 607 HIS 67 HB3 0.0061 0.0039 -0.0073 608 HIS 67 HD1 0.0044 0.0054 -0.0106 609 HIS 67 HD2 0.0061 0.0044 -0.0041 610 HIS 67 HE1 0.0038 0.0065 -0.0082 611 LYS 68 N 0.0094 0.0043 -0.0092 612 LYS 68 CA 0.0100 0.0023 -0.0095 613 LYS 68 C 0.0103 0.0018 -0.0113 614 LYS 68 O 0.0107 0.0006 -0.0123 615 LYS 68 CB 0.0102 0.0014 -0.0078 616 LYS 68 CG 0.0099 0.0020 -0.0059 617 LYS 68 CD 0.0101 0.0010 -0.0042 618 LYS 68 CE 0.0100 0.0014 -0.0039 619 LYS 68 NZ 0.0102 0.0005 -0.0021 620 LYS 68 H 0.0092 0.0047 -0.0082 621 LYS 68 HA 0.0101 0.0021 -0.0098 622 LYS 68 HB2 0.0101 0.0016 -0.0076 623 LYS 68 HB3 0.0107 -0.0001 -0.0079 624 LYS 68 HG2 0.0099 0.0020 -0.0060 625 LYS 68 HG3 0.0095 0.0035 -0.0057 626 LYS 68 HD2 0.0106 -0.0005 -0.0044 627 LYS 68 HD3 0.0099 0.0014 -0.0029 628 LYS 68 HE2 0.0095 0.0029 -0.0038 629 LYS 68 HE3 0.0102 0.0009 -0.0051 630 LYS 68 HZ1 0.0106 -0.0009 -0.0022 631 LYS 68 HZ2 0.0101 0.0009 -0.0020 632 LYS 68 HZ3 0.0100 0.0010 -0.0010 633 LYS 69 N 0.0174 -0.0006 -0.0106 634 LYS 69 CA 0.0142 -0.0050 -0.0187 635 LYS 69 C 0.0058 -0.0031 -0.0132 636 LYS 69 O 0.0078 -0.0038 -0.0149 637 LYS 69 CB 0.0075 -0.0100 -0.0276 638 LYS 69 CG 0.0000 -0.0145 -0.0353 639 LYS 69 CD -0.0069 -0.0187 -0.0423 640 LYS 69 CE -0.0156 -0.0235 -0.0502 641 LYS 69 NZ -0.0222 -0.0270 -0.0561 642 LYS 69 H 0.0153 -0.0016 -0.0121 643 LYS 69 HA 0.0225 -0.0059 -0.0225 644 LYS 69 HB2 0.0142 -0.0118 -0.0327 645 LYS 69 HB3 0.0014 -0.0085 -0.0233 646 LYS 69 HG2 -0.0062 -0.0126 -0.0299 647 LYS 69 HG3 0.0060 -0.0165 -0.0405 648 LYS 69 HD2 -0.0001 -0.0204 -0.0472 649 LYS 69 HD3 -0.0120 -0.0165 -0.0367 650 LYS 69 HE2 -0.0222 -0.0219 -0.0456 651 LYS 69 HE3 -0.0104 -0.0259 -0.0563 652 LYS 69 HZ1 -0.0287 -0.0304 -0.0615 653 LYS 69 HZ2 -0.0269 -0.0246 -0.0502 654 LYS 69 HZ3 -0.0160 -0.0285 -0.0605 655 ARG 70 N 0.0037 -0.0002 -0.0154 656 ARG 70 CA 0.0029 -0.0022 -0.0077 657 ARG 70 C 0.0043 0.0036 -0.0037 658 ARG 70 O 0.0045 0.0051 0.0029 659 ARG 70 CB 0.0009 -0.0095 -0.0071 660 ARG 70 CG -0.0002 -0.0122 0.0009 661 ARG 70 CD -0.0005 -0.0130 0.0044 662 ARG 70 NE -0.0014 -0.0153 0.0121 663 ARG 70 CZ -0.0011 -0.0136 0.0174 664 ARG 70 NH1 0.0001 -0.0094 0.0157 665 ARG 70 NH2 -0.0020 -0.0160 0.0243 666 ARG 70 H 0.0030 -0.0031 -0.0192 667 ARG 70 HA 0.0027 -0.0025 -0.0051 668 ARG 70 HB2 -0.0001 -0.0134 -0.0106 669 ARG 70 HB3 0.0011 -0.0088 -0.0092 670 ARG 70 HG2 -0.0016 -0.0174 0.0008 671 ARG 70 HG3 0.0008 -0.0085 0.0042 672 ARG 70 HD2 0.0009 -0.0078 0.0043 673 ARG 70 HD3 -0.0014 -0.0168 0.0012 674 ARG 70 HE -0.0023 -0.0184 0.0134 675 ARG 70 HH11 0.0008 -0.0075 0.0106 676 ARG 70 HH12 0.0003 -0.0081 0.0196 677 ARG 70 HH21 -0.0029 -0.0191 0.0256 678 ARG 70 HH22 -0.0018 -0.0149 0.0284 679 LEU 71 N 0.0073 0.0030 -0.0069 680 LEU 71 CA 0.0076 0.0052 -0.0061 681 LEU 71 C 0.0078 0.0076 -0.0052 682 LEU 71 O 0.0077 0.0090 -0.0032 683 LEU 71 CB 0.0080 0.0061 -0.0085 684 LEU 71 CG 0.0078 0.0040 -0.0098 685 LEU 71 CD1 0.0083 0.0052 -0.0120 686 LEU 71 CD2 0.0074 0.0027 -0.0076 687 LEU 71 H 0.0075 0.0025 -0.0089 688 LEU 71 HA 0.0073 0.0046 -0.0045 689 LEU 71 HB2 0.0083 0.0068 -0.0101 690 LEU 71 HB3 0.0081 0.0078 -0.0078 691 LEU 71 HG 0.0077 0.0024 -0.0107 692 LEU 71 HD11 0.0084 0.0068 -0.0112 693 LEU 71 HD12 0.0086 0.0060 -0.0136 694 LEU 71 HD13 0.0081 0.0036 -0.0129 695 LEU 71 HD21 0.0070 0.0017 -0.0061 696 LEU 71 HD22 0.0075 0.0043 -0.0066 697 LEU 71 HD23 0.0073 0.0013 -0.0086 698 LYS 72 N 0.0092 0.0094 -0.0058 699 LYS 72 CA 0.0083 0.0134 -0.0036 700 LYS 72 C 0.0104 0.0134 0.0008 701 LYS 72 O 0.0103 0.0159 0.0030 702 LYS 72 CB 0.0070 0.0155 -0.0046 703 LYS 72 CG 0.0059 0.0197 -0.0025 704 LYS 72 CD 0.0045 0.0216 -0.0037 705 LYS 72 CE 0.0035 0.0258 -0.0017 706 LYS 72 NZ 0.0020 0.0277 -0.0031 707 LYS 72 H 0.0089 0.0084 -0.0075 708 LYS 72 HA 0.0072 0.0151 -0.0045 709 LYS 72 HB2 0.0055 0.0154 -0.0077 710 LYS 72 HB3 0.0081 0.0138 -0.0037 711 LYS 72 HG2 0.0074 0.0198 0.0007 712 LYS 72 HG3 0.0048 0.0214 -0.0032 713 LYS 72 HD2 0.0031 0.0214 -0.0069 714 LYS 72 HD3 0.0056 0.0199 -0.0030 715 LYS 72 HE2 0.0049 0.0259 0.0014 716 LYS 72 HE3 0.0024 0.0275 -0.0024 717 LYS 72 HZ1 0.0029 0.0262 -0.0025 718 LYS 72 HZ2 0.0005 0.0277 -0.0061 719 LYS 72 HZ3 0.0013 0.0306 -0.0016 720 GLN 73 N 0.0115 0.0140 0.0036 721 GLN 73 CA 0.0114 0.0122 0.0104 722 GLN 73 C 0.0119 0.0118 0.0184 723 GLN 73 O 0.0134 0.0146 0.0246 724 GLN 73 CB 0.0085 0.0045 0.0091 725 GLN 73 CG 0.0078 0.0044 0.0015 726 GLN 73 CD 0.0049 -0.0033 0.0002 727 GLN 73 OE1 0.0030 -0.0094 0.0025 728 GLN 73 NE2 0.0046 -0.0033 -0.0034 729 GLN 73 H 0.0097 0.0102 -0.0005 730 GLN 73 HA 0.0130 0.0167 0.0107 731 GLN 73 HB2 0.0069 0.0001 0.0086 732 GLN 73 HB3 0.0085 0.0032 0.0143 733 GLN 73 HG2 0.0094 0.0086 0.0021 734 GLN 73 HG3 0.0079 0.0059 -0.0037 735 GLN 73 HE21 0.0063 0.0017 -0.0050 736 GLN 73 HE22 0.0028 -0.0082 -0.0045 737 LEU 74 N 0.0101 0.0089 0.0133 738 LEU 74 CA 0.0102 0.0081 0.0191 739 LEU 74 C 0.0118 0.0153 0.0206 740 LEU 74 O 0.0122 0.0160 0.0263 741 LEU 74 CB 0.0088 0.0019 0.0172 742 LEU 74 CG 0.0086 -0.0003 0.0231 743 LEU 74 CD1 0.0084 -0.0028 0.0303 744 LEU 74 CD2 0.0072 -0.0064 0.0202 745 LEU 74 H 0.0094 0.0071 0.0083 746 LEU 74 HA 0.0101 0.0066 0.0241 747 LEU 74 HB2 0.0077 -0.0028 0.0155 748 LEU 74 HB3 0.0090 0.0040 0.0124 749 LEU 74 HG 0.0096 0.0043 0.0244 750 LEU 74 HD11 0.0083 -0.0044 0.0343 751 LEU 74 HD12 0.0074 -0.0073 0.0291 752 LEU 74 HD13 0.0095 0.0017 0.0325 753 LEU 74 HD21 0.0061 -0.0111 0.0189 754 LEU 74 HD22 0.0070 -0.0079 0.0244 755 LEU 74 HD23 0.0073 -0.0046 0.0153 756 SER 75 N 0.0116 0.0137 0.0115 757 SER 75 CA 0.0091 0.0180 0.0103 758 SER 75 C 0.0071 0.0137 0.0051 759 SER 75 O 0.0060 0.0153 0.0045 760 SER 75 CB 0.0123 0.0211 0.0166 761 SER 75 OG 0.0099 0.0256 0.0157 762 SER 75 H 0.0099 0.0147 0.0097 763 SER 75 HA 0.0060 0.0224 0.0085 764 SER 75 HB2 0.0135 0.0242 0.0200 765 SER 75 HB3 0.0154 0.0166 0.0185 766 SER 75 HG 0.0106 0.0299 0.0191 767 VAL 76 N 0.0035 0.0146 0.0006 768 VAL 76 CA 0.0036 0.0142 -0.0029 769 VAL 76 C 0.0020 0.0171 -0.0055 770 VAL 76 O 0.0010 0.0190 -0.0065 771 VAL 76 CB 0.0053 0.0109 -0.0050 772 VAL 76 CG1 0.0054 0.0105 -0.0086 773 VAL 76 CG2 0.0069 0.0080 -0.0024 774 VAL 76 H 0.0044 0.0130 0.0012 775 VAL 76 HA 0.0036 0.0142 -0.0021 776 VAL 76 HB 0.0053 0.0109 -0.0057 777 VAL 76 HG11 0.0066 0.0082 -0.0100 778 VAL 76 HG12 0.0054 0.0106 -0.0079 779 VAL 76 HG13 0.0042 0.0126 -0.0104 780 VAL 76 HG21 0.0081 0.0057 -0.0039 781 VAL 76 HG22 0.0069 0.0082 0.0001 782 VAL 76 HG23 0.0070 0.0080 -0.0016 783 GLU 77 N 0.0003 0.0126 -0.0099 784 GLU 77 CA -0.0004 0.0130 -0.0103 785 GLU 77 C -0.0008 0.0114 -0.0079 786 GLU 77 O 0.0013 0.0101 -0.0069 787 GLU 77 CB 0.0020 0.0139 -0.0122 788 GLU 77 CG 0.0052 0.0128 -0.0117 789 GLU 77 CD 0.0074 0.0137 -0.0135 790 GLU 77 OE1 0.0080 0.0151 -0.0156 791 GLU 77 OE2 0.0085 0.0130 -0.0129 792 GLU 77 H 0.0015 0.0114 -0.0087 793 GLU 77 HA -0.0024 0.0141 -0.0111 794 GLU 77 HB2 0.0016 0.0140 -0.0122 795 GLU 77 HB3 0.0018 0.0153 -0.0140 796 GLU 77 HG2 0.0057 0.0127 -0.0117 797 GLU 77 HG3 0.0054 0.0114 -0.0099 798 PRO 78 N -0.0099 0.0106 -0.0074 799 PRO 78 CA -0.0114 0.0079 -0.0031 800 PRO 78 C -0.0101 0.0084 -0.0042 801 PRO 78 O -0.0121 0.0111 -0.0076 802 PRO 78 CB -0.0179 0.0082 -0.0020 803 PRO 78 CG -0.0192 0.0104 -0.0049 804 PRO 78 CD -0.0150 0.0127 -0.0092 805 PRO 78 HA -0.0091 0.0055 -0.0001 806 PRO 78 HB2 -0.0202 0.0094 -0.0031 807 PRO 78 HB3 -0.0189 0.0058 0.0018 808 PRO 78 HG2 -0.0236 0.0118 -0.0059 809 PRO 78 HG3 -0.0187 0.0089 -0.0028 810 PRO 78 HD2 -0.0165 0.0149 -0.0120 811 PRO 78 HD3 -0.0140 0.0134 -0.0104 812 TYR 79 N -0.0088 -0.0020 -0.0009 813 TYR 79 CA -0.0041 -0.0034 0.0041 814 TYR 79 C 0.0057 0.0051 -0.0020 815 TYR 79 O 0.0025 0.0098 -0.0108 816 TYR 79 CB -0.0149 -0.0085 0.0047 817 TYR 79 CG -0.0236 -0.0174 0.0123 818 TYR 79 CD1 -0.0344 -0.0191 0.0079 819 TYR 79 CD2 -0.0209 -0.0243 0.0239 820 TYR 79 CE1 -0.0422 -0.0272 0.0148 821 TYR 79 CE2 -0.0287 -0.0325 0.0309 822 TYR 79 CZ -0.0394 -0.0339 0.0263 823 TYR 79 OH -0.0472 -0.0421 0.0333 824 TYR 79 H -0.0063 -0.0041 0.0038 825 TYR 79 HA 0.0011 -0.0071 0.0128 826 TYR 79 HB2 -0.0207 -0.0051 -0.0039 827 TYR 79 HB3 -0.0106 -0.0089 0.0081 828 TYR 79 HD1 -0.0366 -0.0138 -0.0012 829 TYR 79 HD2 -0.0126 -0.0231 0.0275 830 TYR 79 HE1 -0.0506 -0.0283 0.0111 831 TYR 79 HE2 -0.0265 -0.0377 0.0400 832 TYR 79 HH -0.0414 -0.0443 0.0401 833 SER 80 N 0.0139 -0.0033 -0.0048 834 SER 80 CA 0.0162 -0.0005 -0.0051 835 SER 80 C 0.0189 -0.0010 -0.0030 836 SER 80 O 0.0188 -0.0034 -0.0015 837 SER 80 CB 0.0169 0.0008 -0.0054 838 SER 80 OG 0.0190 0.0037 -0.0059 839 SER 80 H 0.0141 -0.0047 -0.0037 840 SER 80 HA 0.0154 0.0011 -0.0066 841 SER 80 HB2 0.0149 0.0009 -0.0068 842 SER 80 HB3 0.0178 -0.0008 -0.0038 843 SER 80 HG 0.0178 0.0050 -0.0075 844 GLN 81 N 0.0179 -0.0031 -0.0031 845 GLN 81 CA 0.0171 -0.0030 -0.0020 846 GLN 81 C 0.0169 -0.0020 -0.0017 847 GLN 81 O 0.0172 -0.0011 -0.0023 848 GLN 81 CB 0.0168 -0.0026 -0.0014 849 GLN 81 CG 0.0160 -0.0028 -0.0002 850 GLN 81 CD 0.0156 -0.0023 0.0004 851 GLN 81 OE1 0.0158 -0.0014 -0.0000 852 GLN 81 NE2 0.0151 -0.0029 0.0013 853 GLN 81 H 0.0181 -0.0027 -0.0036 854 GLN 81 HA 0.0170 -0.0040 -0.0016 855 GLN 81 HB2 0.0170 -0.0033 -0.0018 856 GLN 81 HB3 0.0169 -0.0016 -0.0017 857 GLN 81 HG2 0.0158 -0.0022 0.0001 858 GLN 81 HG3 0.0159 -0.0038 0.0001 859 GLN 81 HE21 0.0149 -0.0036 0.0016 860 GLN 81 HE22 0.0148 -0.0026 0.0017 861 GLU 82 N 0.0168 -0.0136 0.0045 862 GLU 82 CA 0.0156 -0.0110 0.0034 863 GLU 82 C 0.0188 -0.0125 -0.0004 864 GLU 82 O 0.0185 -0.0109 -0.0018 865 GLU 82 CB 0.0128 -0.0059 0.0021 866 GLU 82 CG 0.0113 -0.0029 0.0011 867 GLU 82 CD 0.0084 0.0019 0.0001 868 GLU 82 OE1 0.0092 0.0040 -0.0039 869 GLU 82 OE2 0.0053 0.0039 0.0033 870 GLU 82 H 0.0170 -0.0161 0.0074 871 GLU 82 HA 0.0146 -0.0120 0.0066 872 GLU 82 HB2 0.0106 -0.0051 0.0050 873 GLU 82 HB3 0.0139 -0.0050 -0.0010 874 GLU 82 HG2 0.0133 -0.0034 -0.0020 875 GLU 82 HG3 0.0102 -0.0038 0.0041 876 GLU 83 N 0.0217 -0.0116 0.0070 877 GLU 83 CA 0.0149 -0.0115 0.0118 878 GLU 83 C 0.0086 -0.0071 0.0078 879 GLU 83 O 0.0054 -0.0065 0.0091 880 GLU 83 CB 0.0132 -0.0130 0.0159 881 GLU 83 CG 0.0061 -0.0130 0.0211 882 GLU 83 CD 0.0052 -0.0149 0.0255 883 GLU 83 OE1 0.0034 -0.0129 0.0230 884 GLU 83 OE2 0.0065 -0.0185 0.0317 885 GLU 83 H 0.0219 -0.0095 0.0028 886 GLU 83 HA 0.0156 -0.0136 0.0154 887 GLU 83 HB2 0.0177 -0.0161 0.0187 888 GLU 83 HB3 0.0129 -0.0110 0.0122 889 GLU 83 HG2 0.0015 -0.0098 0.0183 890 GLU 83 HG3 0.0062 -0.0147 0.0245 891 ALA 84 N 0.0137 -0.0110 0.0078 892 ALA 84 CA 0.0116 -0.0104 0.0063 893 ALA 84 C 0.0135 -0.0088 0.0051 894 ALA 84 O 0.0123 -0.0076 0.0032 895 ALA 84 CB 0.0092 -0.0095 0.0043 896 ALA 84 H 0.0144 -0.0100 0.0069 897 ALA 84 HA 0.0104 -0.0118 0.0076 898 ALA 84 HB1 0.0077 -0.0090 0.0032 899 ALA 84 HB2 0.0103 -0.0081 0.0031 900 ALA 84 HB3 0.0077 -0.0107 0.0053 901 GLU 85 N 0.0140 -0.0150 0.0044 902 GLU 85 CA 0.0111 -0.0168 0.0048 903 GLU 85 C 0.0090 -0.0141 0.0049 904 GLU 85 O 0.0095 -0.0135 0.0048 905 GLU 85 CB 0.0120 -0.0198 0.0048 906 GLU 85 CG 0.0092 -0.0222 0.0051 907 GLU 85 CD 0.0064 -0.0210 0.0054 908 GLU 85 OE1 0.0067 -0.0214 0.0054 909 GLU 85 OE2 0.0039 -0.0196 0.0056 910 GLU 85 H 0.0142 -0.0128 0.0043 911 GLU 85 HA 0.0098 -0.0176 0.0049 912 GLU 85 HB2 0.0141 -0.0212 0.0046 913 GLU 85 HB3 0.0128 -0.0188 0.0046 914 GLU 85 HG2 0.0081 -0.0223 0.0053 915 GLU 85 HG3 0.0102 -0.0247 0.0051 916 ARG 86 N 0.0085 -0.0152 -0.0032 917 ARG 86 CA 0.0106 -0.0163 -0.0013 918 ARG 86 C 0.0075 -0.0163 -0.0085 919 ARG 86 O 0.0018 -0.0129 -0.0133 920 ARG 86 CB 0.0094 -0.0120 0.0077 921 ARG 86 CG 0.0024 -0.0050 0.0097 922 ARG 86 CD -0.0038 -0.0016 0.0037 923 ARG 86 NE -0.0103 0.0048 0.0054 924 ARG 86 CZ -0.0166 0.0085 0.0003 925 ARG 86 NH1 -0.0176 0.0067 -0.0069 926 ARG 86 NH2 -0.0220 0.0141 0.0024 927 ARG 86 H 0.0036 -0.0113 -0.0047 928 ARG 86 HA 0.0161 -0.0211 -0.0008 929 ARG 86 HB2 0.0099 -0.0122 0.0082 930 ARG 86 HB3 0.0135 -0.0138 0.0127 931 ARG 86 HG2 0.0024 -0.0026 0.0163 932 ARG 86 HG3 0.0019 -0.0047 0.0092 933 ARG 86 HD2 -0.0037 -0.0042 -0.0030 934 ARG 86 HD3 -0.0036 -0.0015 0.0048 935 ARG 86 HE -0.0098 0.0063 0.0108 936 ARG 86 HH11 -0.0137 0.0025 -0.0088 937 ARG 86 HH12 -0.0223 0.0095 -0.0108 938 ARG 86 HH21 -0.0216 0.0157 0.0078 939 ARG 86 HH22 -0.0269 0.0171 -0.0013 940 ALA 87 N -0.0001 -0.0142 -0.0057 941 ALA 87 CA -0.0059 -0.0145 -0.0097 942 ALA 87 C -0.0084 -0.0079 -0.0088 943 ALA 87 O -0.0113 -0.0076 -0.0106 944 ALA 87 CB -0.0052 -0.0203 -0.0115 945 ALA 87 H 0.0033 -0.0147 -0.0036 946 ALA 87 HA -0.0088 -0.0154 -0.0120 947 ALA 87 HB1 -0.0022 -0.0195 -0.0092 948 ALA 87 HB2 -0.0034 -0.0249 -0.0122 949 ALA 87 HB3 -0.0095 -0.0205 -0.0145 950 ALA 88 N -0.0062 -0.0117 -0.0106 951 ALA 88 CA -0.0068 -0.0076 -0.0114 952 ALA 88 C -0.0072 -0.0041 -0.0119 953 ALA 88 O -0.0048 -0.0017 -0.0100 954 ALA 88 CB -0.0040 -0.0063 -0.0090 955 ALA 88 H -0.0045 -0.0117 -0.0092 956 ALA 88 HA -0.0091 -0.0080 -0.0134 957 ALA 88 HB1 -0.0017 -0.0059 -0.0070 958 ALA 88 HB2 -0.0038 -0.0089 -0.0087 959 ALA 88 HB3 -0.0046 -0.0032 -0.0097 960 GLY 89 N -0.0206 0.0009 -0.0291 961 GLY 89 CA 0.0129 -0.0024 -0.0298 962 GLY 89 C -0.0019 -0.0033 -0.0236 963 GLY 89 O -0.0265 0.0079 -0.0454 964 GLY 89 H -0.0472 -0.0006 -0.0177 965 GLY 89 HA2 0.0288 0.0065 -0.0572 966 GLY 89 HA3 0.0333 -0.0133 -0.0075 967 MET 90 N -0.0057 -0.0184 0.0084 968 MET 90 CA 0.0002 -0.0173 0.0075 969 MET 90 C 0.0200 -0.0146 -0.0278 970 MET 90 O 0.0036 -0.0185 -0.0570 971 MET 90 CB -0.0357 -0.0238 0.0129 972 MET 90 CG -0.0322 -0.0230 0.0202 973 MET 90 SD -0.0115 -0.0202 -0.0166 974 MET 90 CE -0.0160 -0.0205 0.0010 975 MET 90 H 0.0058 -0.0156 0.0282 976 MET 90 HA 0.0182 -0.0133 0.0300 977 MET 90 HB2 -0.0501 -0.0259 0.0360 978 MET 90 HB3 -0.0519 -0.0276 -0.0114 979 MET 90 HG2 -0.0160 -0.0193 0.0445 980 MET 90 HG3 -0.0589 -0.0278 0.0256 981 MET 90 HE1 -0.0017 -0.0171 0.0267 982 MET 90 HE2 -0.0047 -0.0189 -0.0186 983 MET 90 HE3 -0.0442 -0.0256 0.0054 984 GLY 91 N 0.0098 -0.0117 -0.0043 985 GLY 91 CA 0.0083 -0.0156 0.0006 986 GLY 91 C 0.0097 -0.0106 -0.0055 987 GLY 91 O 0.0017 -0.0072 -0.0060 988 GLY 91 H 0.0050 -0.0063 -0.0083 989 GLY 91 HA2 0.0143 -0.0215 0.0046 990 GLY 91 HA3 -0.0000 -0.0164 0.0048 991 SER 92 N 0.0313 -0.0164 0.0017 992 SER 92 CA 0.0437 0.0101 -0.0339 993 SER 92 C 0.0848 -0.0169 -0.0250 994 SER 92 O 0.1328 -0.0405 -0.0234 995 SER 92 CB 0.0677 0.0414 -0.0807 996 SER 92 OG 0.0283 0.0661 -0.0878 997 SER 92 H 0.0624 -0.0340 0.0053 998 SER 92 HA 0.0044 0.0282 -0.0339 999 SER 92 HB2 0.1072 0.0237 -0.0812 1000 SER 92 HB3 0.0751 0.0628 -0.1079 1001 SER 92 HG 0.0001 0.0523 -0.0583 1002 TYR 93 N -0.0176 -0.0288 0.1014 1003 TYR 93 CA -0.0162 -0.0281 0.0541 1004 TYR 93 C -0.0174 0.0041 0.0083 1005 TYR 93 O -0.0201 0.0345 0.0207 1006 TYR 93 CB -0.0190 0.0012 0.0704 1007 TYR 93 CG -0.0175 -0.0021 0.0274 1008 TYR 93 CD1 -0.0141 -0.0463 0.0271 1009 TYR 93 CD2 -0.0195 0.0389 -0.0124 1010 TYR 93 CE1 -0.0127 -0.0501 -0.0117 1011 TYR 93 CE2 -0.0181 0.0355 -0.0514 1012 TYR 93 CZ -0.0147 -0.0089 -0.0507 1013 TYR 93 OH -0.0133 -0.0126 -0.0899 1014 TYR 93 H -0.0208 0.0068 0.1197 1015 TYR 93 HA -0.0126 -0.0702 0.0413 1016 TYR 93 HB2 -0.0186 -0.0173 0.1080 1017 TYR 93 HB3 -0.0225 0.0443 0.0781 1018 TYR 93 HD1 -0.0125 -0.0785 0.0580 1019 TYR 93 HD2 -0.0221 0.0739 -0.0128 1020 TYR 93 HE1 -0.0100 -0.0850 -0.0113 1021 TYR 93 HE2 -0.0197 0.0677 -0.0822 1022 TYR 93 HH -0.0127 -0.0062 -0.1256 1023 VAL 94 N -0.0238 0.0195 -0.0066 1024 VAL 94 CA -0.0170 0.0182 0.0020 1025 VAL 94 C -0.0272 -0.0015 0.0013 1026 VAL 94 O -0.0283 -0.0193 0.0101 1027 VAL 94 CB 0.0005 0.0204 0.0213 1028 VAL 94 CG1 0.0026 0.0040 0.0332 1029 VAL 94 CG2 0.0072 0.0200 0.0294 1030 VAL 94 H -0.0178 0.0195 0.0003 1031 VAL 94 HA -0.0175 0.0313 -0.0060 1032 VAL 94 HB 0.0070 0.0355 0.0203 1033 VAL 94 HG11 0.0148 0.0063 0.0462 1034 VAL 94 HG12 -0.0041 -0.0113 0.0340 1035 VAL 94 HG13 -0.0013 0.0055 0.0277 1036 VAL 94 HG21 0.0006 0.0054 0.0299 1037 VAL 94 HG22 0.0192 0.0215 0.0426 1038 VAL 94 HG23 0.0067 0.0327 0.0215