1 ASP 28 N 0.0012 0.0304 0.0221 2 ASP 28 CA 0.0025 0.0306 0.0218 3 ASP 28 C 0.0049 0.0312 0.0214 4 ASP 28 O 0.0056 0.0304 0.0206 5 ASP 28 CB 0.0022 0.0286 0.0207 6 ASP 28 CG 0.0035 0.0287 0.0203 7 ASP 28 OD1 0.0031 0.0297 0.0211 8 ASP 28 OD2 0.0049 0.0276 0.0193 9 ASP 28 H -0.0004 0.0300 0.0223 10 ASP 28 HA 0.0020 0.0317 0.0226 11 ASP 28 HB2 0.0006 0.0282 0.0210 12 ASP 28 HB3 0.0027 0.0275 0.0199 13 PRO 29 N 0.0059 0.0327 0.0219 14 PRO 29 CA 0.0082 0.0334 0.0216 15 PRO 29 C 0.0096 0.0318 0.0203 16 PRO 29 O 0.0094 0.0309 0.0198 17 PRO 29 CB 0.0088 0.0351 0.0225 18 PRO 29 CG 0.0067 0.0356 0.0234 19 PRO 29 CD 0.0051 0.0338 0.0229 20 PRO 29 HA 0.0084 0.0339 0.0219 21 PRO 29 HB2 0.0097 0.0346 0.0219 22 PRO 29 HB3 0.0098 0.0362 0.0229 23 PRO 29 HG2 0.0068 0.0362 0.0237 24 PRO 29 HG3 0.0063 0.0367 0.0242 25 PRO 29 HD2 0.0050 0.0331 0.0225 26 PRO 29 HD3 0.0036 0.0342 0.0236 27 ASN 30 N 0.0110 0.0316 0.0197 28 ASN 30 CA 0.0124 0.0302 0.0184 29 ASN 30 C 0.0113 0.0282 0.0175 30 ASN 30 O 0.0111 0.0275 0.0171 31 ASN 30 CB 0.0142 0.0308 0.0182 32 ASN 30 CG 0.0158 0.0295 0.0169 33 ASN 30 OD1 0.0174 0.0296 0.0165 34 ASN 30 ND2 0.0154 0.0282 0.0162 35 ASN 30 H 0.0111 0.0325 0.0202 36 ASN 30 HA 0.0132 0.0302 0.0182 37 ASN 30 HB2 0.0150 0.0322 0.0188 38 ASN 30 HB3 0.0133 0.0310 0.0186 39 ASN 30 HD21 0.0141 0.0281 0.0166 40 ASN 30 HD22 0.0164 0.0273 0.0153 41 ALA 31 N 0.0103 0.0272 0.0172 42 ALA 31 CA 0.0092 0.0253 0.0164 43 ALA 31 C 0.0087 0.0245 0.0161 44 ALA 31 O 0.0071 0.0248 0.0169 45 ALA 31 CB 0.0072 0.0251 0.0170 46 ALA 31 H 0.0104 0.0279 0.0177 47 ALA 31 HA 0.0103 0.0244 0.0156 48 ALA 31 HB1 0.0065 0.0236 0.0163 49 ALA 31 HB2 0.0061 0.0259 0.0178 50 ALA 31 HB3 0.0076 0.0256 0.0172 51 GLU 32 N 0.0102 0.0237 0.0152 52 GLU 32 CA 0.0098 0.0228 0.0147 53 GLU 32 C 0.0087 0.0208 0.0139 54 GLU 32 O 0.0078 0.0199 0.0136 55 GLU 32 CB 0.0119 0.0227 0.0140 56 GLU 32 CG 0.0133 0.0217 0.0129 57 GLU 32 CD 0.0153 0.0216 0.0122 58 GLU 32 OE1 0.0153 0.0203 0.0114 59 GLU 32 OE2 0.0168 0.0228 0.0125 60 GLU 32 H 0.0115 0.0237 0.0147 61 GLU 32 HA 0.0089 0.0236 0.0155 62 GLU 32 HB2 0.0115 0.0221 0.0137 63 GLU 32 HB3 0.0126 0.0241 0.0146 64 GLU 32 HG2 0.0137 0.0223 0.0132 65 GLU 32 HG3 0.0125 0.0203 0.0123 66 PHE 33 N 0.0087 0.0202 0.0135 67 PHE 33 CA 0.0077 0.0184 0.0128 68 PHE 33 C 0.0057 0.0186 0.0136 69 PHE 33 O 0.0054 0.0202 0.0146 70 PHE 33 CB 0.0092 0.0176 0.0117 71 PHE 33 CG 0.0101 0.0188 0.0122 72 PHE 33 CD1 0.0090 0.0189 0.0126 73 PHE 33 CD2 0.0120 0.0200 0.0122 74 PHE 33 CE1 0.0098 0.0200 0.0130 75 PHE 33 CE2 0.0128 0.0211 0.0126 76 PHE 33 CZ 0.0117 0.0212 0.0130 77 PHE 33 H 0.0094 0.0211 0.0138 78 PHE 33 HA 0.0073 0.0175 0.0124 79 PHE 33 HB2 0.0084 0.0163 0.0112 80 PHE 33 HB3 0.0104 0.0173 0.0111 81 PHE 33 HD1 0.0075 0.0180 0.0126 82 PHE 33 HD2 0.0128 0.0199 0.0119 83 PHE 33 HE1 0.0090 0.0201 0.0133 84 PHE 33 HE2 0.0143 0.0220 0.0127 85 PHE 33 HZ 0.0124 0.0221 0.0134 86 ASP 34 N 0.0046 0.0171 0.0130 87 ASP 34 CA 0.0029 0.0170 0.0136 88 ASP 34 C 0.0032 0.0163 0.0131 89 ASP 34 O 0.0040 0.0151 0.0119 90 ASP 34 CB 0.0012 0.0159 0.0135 91 ASP 34 CG -0.0007 0.0160 0.0142 92 ASP 34 OD1 -0.0011 0.0152 0.0139 93 ASP 34 OD2 -0.0018 0.0168 0.0152 94 ASP 34 H 0.0049 0.0160 0.0122 95 ASP 34 HA 0.0027 0.0183 0.0146 96 ASP 34 HB2 0.0011 0.0163 0.0138 97 ASP 34 HB3 0.0014 0.0146 0.0126 98 PRO 35 N 0.0027 0.0172 0.0138 99 PRO 35 CA 0.0030 0.0166 0.0133 100 PRO 35 C 0.0014 0.0151 0.0129 101 PRO 35 O 0.0015 0.0146 0.0125 102 PRO 35 CB 0.0030 0.0183 0.0144 103 PRO 35 CG 0.0016 0.0192 0.0156 104 PRO 35 CD 0.0018 0.0188 0.0152 105 PRO 35 HA 0.0044 0.0162 0.0125 106 PRO 35 HB2 0.0026 0.0179 0.0144 107 PRO 35 HB3 0.0045 0.0191 0.0144 108 PRO 35 HG2 0.0001 0.0186 0.0158 109 PRO 35 HG3 0.0019 0.0206 0.0164 110 PRO 35 HD2 0.0003 0.0185 0.0156 111 PRO 35 HD3 0.0027 0.0199 0.0156 112 ASP 36 N -0.0000 0.0145 0.0131 113 ASP 36 CA -0.0015 0.0131 0.0126 114 ASP 36 C -0.0012 0.0115 0.0114 115 ASP 36 O -0.0017 0.0101 0.0106 116 ASP 36 CB -0.0035 0.0134 0.0136 117 ASP 36 CG -0.0051 0.0120 0.0132 118 ASP 36 OD1 -0.0056 0.0118 0.0132 119 ASP 36 OD2 -0.0060 0.0110 0.0129 120 ASP 36 H -0.0001 0.0150 0.0134 121 ASP 36 HA -0.0015 0.0130 0.0125 122 ASP 36 HB2 -0.0037 0.0145 0.0145 123 ASP 36 HB3 -0.0036 0.0136 0.0138 124 LEU 37 N -0.0004 0.0116 0.0112 125 LEU 37 CA -0.0001 0.0102 0.0101 126 LEU 37 C 0.0018 0.0098 0.0091 127 LEU 37 O 0.0033 0.0109 0.0093 128 LEU 37 CB -0.0003 0.0105 0.0103 129 LEU 37 CG -0.0024 0.0103 0.0110 130 LEU 37 CD1 -0.0036 0.0087 0.0103 131 LEU 37 CD2 -0.0033 0.0117 0.0123 132 LEU 37 H 0.0000 0.0128 0.0118 133 LEU 37 HA -0.0012 0.0092 0.0098 134 LEU 37 HB2 0.0005 0.0116 0.0109 135 LEU 37 HB3 0.0003 0.0095 0.0095 136 LEU 37 HG -0.0023 0.0104 0.0110 137 LEU 37 HD11 -0.0050 0.0086 0.0108 138 LEU 37 HD12 -0.0037 0.0085 0.0102 139 LEU 37 HD13 -0.0030 0.0077 0.0094 140 LEU 37 HD21 -0.0047 0.0116 0.0128 141 LEU 37 HD22 -0.0024 0.0129 0.0128 142 LEU 37 HD23 -0.0033 0.0117 0.0123 143 PRO 38 N 0.0019 0.0082 0.0079 144 PRO 38 CA 0.0036 0.0076 0.0069 145 PRO 38 C 0.0049 0.0080 0.0067 146 PRO 38 O 0.0044 0.0077 0.0066 147 PRO 38 CB 0.0029 0.0058 0.0058 148 PRO 38 CG 0.0009 0.0055 0.0064 149 PRO 38 CD 0.0002 0.0069 0.0076 150 PRO 38 HA 0.0043 0.0082 0.0070 151 PRO 38 HB2 0.0032 0.0052 0.0053 152 PRO 38 HB3 0.0037 0.0054 0.0052 153 PRO 38 HG2 0.0002 0.0044 0.0059 154 PRO 38 HG3 0.0008 0.0056 0.0065 155 PRO 38 HD2 -0.0003 0.0065 0.0075 156 PRO 38 HD3 -0.0009 0.0072 0.0083 157 GLY 39 N 0.0066 0.0087 0.0065 158 GLY 39 CA 0.0080 0.0091 0.0063 159 GLY 39 C 0.0077 0.0106 0.0074 160 GLY 39 O 0.0083 0.0108 0.0074 161 GLY 39 H 0.0070 0.0090 0.0066 162 GLY 39 HA2 0.0094 0.0094 0.0060 163 GLY 39 HA3 0.0079 0.0081 0.0057 164 GLY 40 N 0.0069 0.0115 0.0085 165 GLY 40 CA 0.0065 0.0131 0.0097 166 GLY 40 C 0.0050 0.0127 0.0099 167 GLY 40 O 0.0047 0.0138 0.0109 168 GLY 40 H 0.0064 0.0112 0.0085 169 GLY 40 HA2 0.0059 0.0138 0.0104 170 GLY 40 HA3 0.0078 0.0138 0.0097 171 GLY 41 N 0.0042 0.0111 0.0091 172 GLY 41 CA 0.0030 0.0106 0.0092 173 GLY 41 C 0.0041 0.0106 0.0088 174 GLY 41 O 0.0033 0.0104 0.0090 175 GLY 41 H 0.0045 0.0103 0.0085 176 GLY 41 HA2 0.0023 0.0093 0.0086 177 GLY 41 HA3 0.0020 0.0114 0.0101 178 LEU 42 N 0.0059 0.0108 0.0083 179 LEU 42 CA 0.0071 0.0110 0.0080 180 LEU 42 C 0.0077 0.0093 0.0067 181 LEU 42 O 0.0085 0.0093 0.0064 182 LEU 42 CB 0.0089 0.0122 0.0083 183 LEU 42 CG 0.0087 0.0140 0.0095 184 LEU 42 CD1 0.0106 0.0150 0.0096 185 LEU 42 CD2 0.0077 0.0148 0.0105 186 LEU 42 H 0.0065 0.0109 0.0082 187 LEU 42 HA 0.0065 0.0115 0.0086 188 LEU 42 HB2 0.0096 0.0117 0.0077 189 LEU 42 HB3 0.0098 0.0123 0.0080 190 LEU 42 HG 0.0078 0.0138 0.0098 191 LEU 42 HD11 0.0103 0.0162 0.0105 192 LEU 42 HD12 0.0115 0.0151 0.0094 193 LEU 42 HD13 0.0112 0.0145 0.0090 194 LEU 42 HD21 0.0085 0.0149 0.0102 195 LEU 42 HD22 0.0075 0.0160 0.0113 196 LEU 42 HD23 0.0063 0.0141 0.0104 197 HIS 43 N 0.0072 0.0082 0.0060 198 HIS 43 CA 0.0076 0.0067 0.0047 199 HIS 43 C 0.0059 0.0055 0.0045 200 HIS 43 O 0.0053 0.0050 0.0044 201 HIS 43 CB 0.0090 0.0062 0.0039 202 HIS 43 CG 0.0107 0.0075 0.0042 203 HIS 43 ND1 0.0122 0.0076 0.0037 204 HIS 43 CD2 0.0111 0.0086 0.0048 205 HIS 43 CE1 0.0134 0.0088 0.0040 206 HIS 43 NE2 0.0129 0.0094 0.0047 207 HIS 43 H 0.0065 0.0083 0.0063 208 HIS 43 HA 0.0082 0.0068 0.0046 209 HIS 43 HB2 0.0083 0.0060 0.0040 210 HIS 43 HB3 0.0094 0.0052 0.0030 211 HIS 43 HD1 0.0122 0.0070 0.0032 212 HIS 43 HD2 0.0103 0.0089 0.0052 213 HIS 43 HE1 0.0148 0.0091 0.0038 214 HIS 43 HE2 0.0135 0.0104 0.0052 215 ARG 44 N 0.0053 0.0050 0.0045 216 ARG 44 CA 0.0036 0.0039 0.0043 217 ARG 44 C 0.0037 0.0026 0.0033 218 ARG 44 O 0.0048 0.0028 0.0031 219 ARG 44 CB 0.0021 0.0048 0.0054 220 ARG 44 CG 0.0020 0.0064 0.0066 221 ARG 44 CD 0.0007 0.0071 0.0076 222 ARG 44 NE 0.0006 0.0087 0.0087 223 ARG 44 CZ -0.0007 0.0095 0.0097 224 ARG 44 NH1 -0.0019 0.0088 0.0097 225 ARG 44 NH2 -0.0007 0.0110 0.0108 226 ARG 44 H 0.0059 0.0055 0.0046 227 ARG 44 HA 0.0031 0.0035 0.0042 228 ARG 44 HB2 0.0024 0.0048 0.0054 229 ARG 44 HB3 0.0008 0.0040 0.0053 230 ARG 44 HG2 0.0016 0.0062 0.0066 231 ARG 44 HG3 0.0034 0.0071 0.0066 232 ARG 44 HD2 0.0011 0.0071 0.0074 233 ARG 44 HD3 -0.0007 0.0063 0.0075 234 ARG 44 HE 0.0015 0.0092 0.0088 235 ARG 44 HH11 -0.0019 0.0077 0.0089 236 ARG 44 HH12 -0.0028 0.0094 0.0104 237 ARG 44 HH21 0.0002 0.0115 0.0109 238 ARG 44 HH22 -0.0016 0.0116 0.0115 239 CYS 45 N 0.0027 0.0013 0.0028 240 CYS 45 CA 0.0024 0.0001 0.0021 241 CYS 45 C 0.0006 0.0002 0.0028 242 CYS 45 O -0.0007 -0.0000 0.0031 243 CYS 45 CB 0.0023 -0.0015 0.0009 244 CYS 45 SG 0.0015 -0.0032 0.0001 245 CYS 45 H 0.0022 0.0012 0.0029 246 CYS 45 HA 0.0033 0.0004 0.0019 247 CYS 45 HB2 0.0037 -0.0016 0.0004 248 CYS 45 HB3 0.0016 -0.0017 0.0011 249 LEU 46 N 0.0005 0.0006 0.0031 250 LEU 46 CA -0.0011 0.0009 0.0038 251 LEU 46 C -0.0025 -0.0006 0.0033 252 LEU 46 O -0.0041 -0.0005 0.0039 253 LEU 46 CB -0.0007 0.0016 0.0042 254 LEU 46 CG 0.0006 0.0031 0.0048 255 LEU 46 CD1 0.0011 0.0036 0.0050 256 LEU 46 CD2 -0.0000 0.0044 0.0059 257 LEU 46 H 0.0016 0.0007 0.0028 258 LEU 46 HA -0.0016 0.0018 0.0046 259 LEU 46 HB2 -0.0002 0.0007 0.0034 260 LEU 46 HB3 -0.0019 0.0018 0.0047 261 LEU 46 HG 0.0018 0.0029 0.0042 262 LEU 46 HD11 0.0017 0.0027 0.0041 263 LEU 46 HD12 0.0020 0.0047 0.0054 264 LEU 46 HD13 -0.0002 0.0037 0.0054 265 LEU 46 HD21 -0.0002 0.0041 0.0057 266 LEU 46 HD22 -0.0013 0.0045 0.0064 267 LEU 46 HD23 0.0009 0.0054 0.0063 268 ALA 47 N -0.0019 -0.0018 0.0022 269 ALA 47 CA -0.0030 -0.0033 0.0016 270 ALA 47 C -0.0038 -0.0038 0.0016 271 ALA 47 O -0.0051 -0.0048 0.0013 272 ALA 47 CB -0.0020 -0.0045 0.0004 273 ALA 47 H -0.0006 -0.0018 0.0019 274 ALA 47 HA -0.0041 -0.0033 0.0020 275 ALA 47 HB1 -0.0029 -0.0056 -0.0000 276 ALA 47 HB2 -0.0010 -0.0046 0.0000 277 ALA 47 HB3 -0.0015 -0.0042 0.0004 278 CYS 48 N -0.0031 -0.0030 0.0019 279 CYS 48 CA -0.0038 -0.0034 0.0019 280 CYS 48 C -0.0046 -0.0020 0.0031 281 CYS 48 O -0.0055 -0.0023 0.0032 282 CYS 48 CB -0.0025 -0.0040 0.0010 283 CYS 48 SG -0.0021 -0.0058 -0.0004 284 CYS 48 H -0.0021 -0.0022 0.0021 285 CYS 48 HA -0.0050 -0.0043 0.0016 286 CYS 48 HB2 -0.0012 -0.0034 0.0010 287 CYS 48 HB3 -0.0031 -0.0043 0.0010 288 ALA 49 N -0.0042 -0.0007 0.0038 289 ALA 49 CA -0.0048 0.0008 0.0051 290 ALA 49 C -0.0042 0.0011 0.0051 291 ALA 49 O -0.0049 0.0019 0.0059 292 ALA 49 CB -0.0069 0.0006 0.0057 293 ALA 49 H -0.0035 -0.0005 0.0037 294 ALA 49 HA -0.0042 0.0017 0.0055 295 ALA 49 HB1 -0.0075 -0.0004 0.0052 296 ALA 49 HB2 -0.0073 0.0004 0.0056 297 ALA 49 HB3 -0.0073 0.0017 0.0066 298 ARG 50 N -0.0027 0.0005 0.0041 299 ARG 50 CA -0.0020 0.0006 0.0040 300 ARG 50 C -0.0003 0.0018 0.0042 301 ARG 50 O 0.0007 0.0019 0.0039 302 ARG 50 CB -0.0016 -0.0009 0.0028 303 ARG 50 CG -0.0033 -0.0022 0.0025 304 ARG 50 CD -0.0028 -0.0037 0.0013 305 ARG 50 NE -0.0044 -0.0049 0.0010 306 ARG 50 CZ -0.0044 -0.0064 0.0000 307 ARG 50 NH1 -0.0028 -0.0068 -0.0008 308 ARG 50 NH2 -0.0059 -0.0074 -0.0002 309 ARG 50 H -0.0022 -0.0001 0.0036 310 ARG 50 HA -0.0029 0.0011 0.0046 311 ARG 50 HB2 -0.0007 -0.0014 0.0022 312 ARG 50 HB3 -0.0010 -0.0007 0.0027 313 ARG 50 HG2 -0.0042 -0.0018 0.0031 314 ARG 50 HG3 -0.0039 -0.0024 0.0026 315 ARG 50 HD2 -0.0019 -0.0041 0.0007 316 ARG 50 HD3 -0.0022 -0.0034 0.0013 317 ARG 50 HE -0.0056 -0.0046 0.0017 318 ARG 50 HH11 -0.0017 -0.0060 -0.0007 319 ARG 50 HH12 -0.0027 -0.0078 -0.0016 320 ARG 50 HH21 -0.0070 -0.0072 0.0004 321 ARG 50 HH22 -0.0058 -0.0085 -0.0009 322 TYR 51 N -0.0001 0.0026 0.0047 323 TYR 51 CA 0.0014 0.0039 0.0051 324 TYR 51 C 0.0027 0.0033 0.0042 325 TYR 51 O 0.0022 0.0027 0.0040 326 TYR 51 CB 0.0006 0.0053 0.0063 327 TYR 51 CG -0.0008 0.0058 0.0072 328 TYR 51 CD1 -0.0027 0.0051 0.0074 329 TYR 51 CD2 -0.0004 0.0069 0.0078 330 TYR 51 CE1 -0.0040 0.0056 0.0082 331 TYR 51 CE2 -0.0017 0.0074 0.0087 332 TYR 51 CZ -0.0035 0.0067 0.0088 333 TYR 51 OH -0.0049 0.0072 0.0097 334 TYR 51 H -0.0009 0.0024 0.0049 335 TYR 51 HA 0.0020 0.0042 0.0051 336 TYR 51 HB2 0.0001 0.0049 0.0062 337 TYR 51 HB3 0.0018 0.0062 0.0066 338 TYR 51 HD1 -0.0030 0.0042 0.0069 339 TYR 51 HD2 0.0010 0.0075 0.0077 340 TYR 51 HE1 -0.0054 0.0051 0.0083 341 TYR 51 HE2 -0.0014 0.0083 0.0092 342 TYR 51 HH -0.0059 0.0073 0.0101 343 PHE 52 N 0.0044 0.0036 0.0037 344 PHE 52 CA 0.0058 0.0031 0.0029 345 PHE 52 C 0.0071 0.0045 0.0034 346 PHE 52 O 0.0074 0.0057 0.0040 347 PHE 52 CB 0.0068 0.0020 0.0018 348 PHE 52 CG 0.0056 0.0006 0.0012 349 PHE 52 CD1 0.0046 0.0006 0.0016 350 PHE 52 CD2 0.0055 -0.0008 0.0003 351 PHE 52 CE1 0.0035 -0.0007 0.0011 352 PHE 52 CE2 0.0044 -0.0022 -0.0002 353 PHE 52 CZ 0.0034 -0.0021 0.0002 354 PHE 52 H 0.0047 0.0041 0.0039 355 PHE 52 HA 0.0052 0.0024 0.0026 356 PHE 52 HB2 0.0074 0.0027 0.0020 357 PHE 52 HB3 0.0078 0.0017 0.0012 358 PHE 52 HD1 0.0047 0.0017 0.0023 359 PHE 52 HD2 0.0063 -0.0009 -0.0000 360 PHE 52 HE1 0.0028 -0.0007 0.0014 361 PHE 52 HE2 0.0043 -0.0033 -0.0009 362 PHE 52 HZ 0.0026 -0.0032 -0.0002 363 ILE 53 N 0.0078 0.0044 0.0030 364 ILE 53 CA 0.0090 0.0057 0.0035 365 ILE 53 C 0.0107 0.0063 0.0032 366 ILE 53 O 0.0115 0.0077 0.0039 367 ILE 53 CB 0.0095 0.0052 0.0030 368 ILE 53 CG1 0.0103 0.0037 0.0016 369 ILE 53 CG2 0.0078 0.0050 0.0034 370 ILE 53 CD1 0.0109 0.0032 0.0011 371 ILE 53 H 0.0075 0.0034 0.0024 372 ILE 53 HA 0.0083 0.0067 0.0044 373 ILE 53 HB 0.0104 0.0062 0.0033 374 ILE 53 HG12 0.0094 0.0027 0.0013 375 ILE 53 HG13 0.0115 0.0040 0.0013 376 ILE 53 HG21 0.0068 0.0041 0.0032 377 ILE 53 HG22 0.0073 0.0061 0.0044 378 ILE 53 HG23 0.0082 0.0047 0.0031 379 ILE 53 HD11 0.0119 0.0042 0.0013 380 ILE 53 HD12 0.0114 0.0022 0.0001 381 ILE 53 HD13 0.0097 0.0030 0.0013 382 ASP 54 N 0.0113 0.0052 0.0022 383 ASP 54 CA 0.0129 0.0056 0.0019 384 ASP 54 C 0.0128 0.0046 0.0012 385 ASP 54 O 0.0118 0.0033 0.0008 386 ASP 54 CB 0.0145 0.0053 0.0011 387 ASP 54 CG 0.0163 0.0058 0.0007 388 ASP 54 OD1 0.0170 0.0072 0.0014 389 ASP 54 OD2 0.0169 0.0047 -0.0002 390 ASP 54 H 0.0106 0.0041 0.0018 391 ASP 54 HA 0.0132 0.0068 0.0026 392 ASP 54 HB2 0.0144 0.0059 0.0015 393 ASP 54 HB3 0.0142 0.0040 0.0003 394 SER 55 N 0.0139 0.0052 0.0012 395 SER 55 CA 0.0139 0.0044 0.0007 396 SER 55 C 0.0145 0.0028 -0.0006 397 SER 55 O 0.0138 0.0017 -0.0011 398 SER 55 CB 0.0152 0.0055 0.0009 399 SER 55 OG 0.0154 0.0047 0.0004 400 SER 55 H 0.0147 0.0062 0.0016 401 SER 55 HA 0.0126 0.0042 0.0010 402 SER 55 HB2 0.0147 0.0065 0.0018 403 SER 55 HB3 0.0165 0.0058 0.0007 404 SER 55 HG 0.0163 0.0042 -0.0004 405 THR 56 N 0.0156 0.0027 -0.0011 406 THR 56 CA 0.0162 0.0012 -0.0023 407 THR 56 C 0.0146 -0.0000 -0.0025 408 THR 56 O 0.0144 -0.0014 -0.0033 409 THR 56 CB 0.0176 0.0015 -0.0026 410 THR 56 OG1 0.0190 0.0028 -0.0023 411 THR 56 CG2 0.0184 0.0000 -0.0039 412 THR 56 H 0.0160 0.0036 -0.0007 413 THR 56 HA 0.0167 0.0009 -0.0027 414 THR 56 HB 0.0170 0.0017 -0.0023 415 THR 56 HG1 0.0185 0.0038 -0.0015 416 THR 56 HG21 0.0194 0.0003 -0.0041 417 THR 56 HG22 0.0190 -0.0002 -0.0043 418 THR 56 HG23 0.0174 -0.0010 -0.0042 419 ASN 57 N 0.0135 0.0004 -0.0018 420 ASN 57 CA 0.0119 -0.0006 -0.0019 421 ASN 57 C 0.0106 -0.0011 -0.0018 422 ASN 57 O 0.0098 -0.0025 -0.0024 423 ASN 57 CB 0.0110 0.0001 -0.0011 424 ASN 57 CG 0.0118 -0.0000 -0.0015 425 ASN 57 OD1 0.0113 -0.0012 -0.0020 426 ASN 57 ND2 0.0131 0.0011 -0.0012 427 ASN 57 H 0.0136 0.0015 -0.0011 428 ASN 57 HA 0.0123 -0.0017 -0.0028 429 ASN 57 HB2 0.0112 0.0014 -0.0003 430 ASN 57 HB3 0.0096 -0.0004 -0.0009 431 ASN 57 HD21 0.0136 0.0020 -0.0008 432 ASN 57 HD22 0.0137 0.0010 -0.0015 433 LEU 58 N 0.0105 -0.0001 -0.0010 434 LEU 58 CA 0.0094 -0.0004 -0.0008 435 LEU 58 C 0.0101 -0.0015 -0.0018 436 LEU 58 O 0.0090 -0.0027 -0.0022 437 LEU 58 CB 0.0093 0.0012 0.0003 438 LEU 58 CG 0.0083 0.0012 0.0006 439 LEU 58 CD1 0.0096 0.0010 0.0001 440 LEU 58 CD2 0.0067 0.0000 0.0004 441 LEU 58 H 0.0112 0.0010 -0.0006 442 LEU 58 HA 0.0081 -0.0009 -0.0007 443 LEU 58 HB2 0.0086 0.0018 0.0010 444 LEU 58 HB3 0.0106 0.0019 0.0003 445 LEU 58 HG 0.0080 0.0023 0.0015 446 LEU 58 HD11 0.0089 0.0010 0.0003 447 LEU 58 HD12 0.0100 -0.0001 -0.0008 448 LEU 58 HD13 0.0107 0.0020 0.0003 449 LEU 58 HD21 0.0070 -0.0011 -0.0005 450 LEU 58 HD22 0.0060 0.0001 0.0007 451 LEU 58 HD23 0.0058 0.0002 0.0009 452 LYS 59 N 0.0116 -0.0012 -0.0023 453 LYS 59 CA 0.0123 -0.0022 -0.0032 454 LYS 59 C 0.0123 -0.0039 -0.0041 455 LYS 59 O 0.0121 -0.0050 -0.0047 456 LYS 59 CB 0.0141 -0.0015 -0.0033 457 LYS 59 CG 0.0155 -0.0012 -0.0036 458 LYS 59 CD 0.0172 -0.0004 -0.0037 459 LYS 59 CE 0.0180 -0.0014 -0.0045 460 LYS 59 NZ 0.0185 -0.0027 -0.0055 461 LYS 59 H 0.0123 -0.0002 -0.0019 462 LYS 59 HA 0.0114 -0.0024 -0.0030 463 LYS 59 HB2 0.0145 -0.0023 -0.0039 464 LYS 59 HB3 0.0140 -0.0004 -0.0026 465 LYS 59 HG2 0.0151 -0.0005 -0.0030 466 LYS 59 HG3 0.0157 -0.0023 -0.0043 467 LYS 59 HD2 0.0169 0.0007 -0.0030 468 LYS 59 HD3 0.0181 -0.0000 -0.0038 469 LYS 59 HE2 0.0170 -0.0017 -0.0044 470 LYS 59 HE3 0.0191 -0.0007 -0.0045 471 LYS 59 HZ1 0.0194 -0.0024 -0.0056 472 LYS 59 HZ2 0.0190 -0.0034 -0.0061 473 LYS 59 HZ3 0.0175 -0.0035 -0.0056 474 THR 60 N 0.0126 -0.0039 -0.0043 475 THR 60 CA 0.0125 -0.0054 -0.0052 476 THR 60 C 0.0106 -0.0063 -0.0051 477 THR 60 O 0.0104 -0.0078 -0.0059 478 THR 60 CB 0.0131 -0.0052 -0.0052 479 THR 60 OG1 0.0148 -0.0043 -0.0053 480 THR 60 CG2 0.0130 -0.0067 -0.0061 481 THR 60 H 0.0128 -0.0030 -0.0038 482 THR 60 HA 0.0133 -0.0060 -0.0058 483 THR 60 HB 0.0122 -0.0045 -0.0045 484 THR 60 HG1 0.0148 -0.0033 -0.0046 485 THR 60 HG21 0.0134 -0.0065 -0.0061 486 THR 60 HG22 0.0138 -0.0074 -0.0068 487 THR 60 HG23 0.0117 -0.0073 -0.0060 488 HIS 61 N 0.0094 -0.0055 -0.0041 489 HIS 61 CA 0.0076 -0.0062 -0.0039 490 HIS 61 C 0.0072 -0.0070 -0.0044 491 HIS 61 O 0.0060 -0.0081 -0.0047 492 HIS 61 CB 0.0064 -0.0049 -0.0027 493 HIS 61 CG 0.0046 -0.0053 -0.0024 494 HIS 61 ND1 0.0033 -0.0064 -0.0026 495 HIS 61 CD2 0.0040 -0.0048 -0.0018 496 HIS 61 CE1 0.0020 -0.0065 -0.0022 497 HIS 61 NE2 0.0024 -0.0056 -0.0018 498 HIS 61 H 0.0097 -0.0044 -0.0035 499 HIS 61 HA 0.0073 -0.0070 -0.0044 500 HIS 61 HB2 0.0063 -0.0047 -0.0025 501 HIS 61 HB3 0.0071 -0.0038 -0.0023 502 HIS 61 HD1 0.0034 -0.0070 -0.0030 503 HIS 61 HD2 0.0047 -0.0039 -0.0015 504 HIS 61 HE1 0.0007 -0.0073 -0.0023 505 PHE 62 N 0.0083 -0.0066 -0.0044 506 PHE 62 CA 0.0079 -0.0074 -0.0048 507 PHE 62 C 0.0087 -0.0088 -0.0059 508 PHE 62 O 0.0087 -0.0095 -0.0064 509 PHE 62 CB 0.0085 -0.0064 -0.0043 510 PHE 62 CG 0.0079 -0.0049 -0.0032 511 PHE 62 CD1 0.0062 -0.0048 -0.0025 512 PHE 62 CD2 0.0091 -0.0036 -0.0028 513 PHE 62 CE1 0.0057 -0.0034 -0.0015 514 PHE 62 CE2 0.0086 -0.0022 -0.0017 515 PHE 62 CZ 0.0069 -0.0021 -0.0010 516 PHE 62 H 0.0092 -0.0058 -0.0042 517 PHE 62 HA 0.0065 -0.0077 -0.0045 518 PHE 62 HB2 0.0098 -0.0062 -0.0047 519 PHE 62 HB3 0.0078 -0.0070 -0.0045 520 PHE 62 HD1 0.0053 -0.0058 -0.0028 521 PHE 62 HD2 0.0104 -0.0037 -0.0033 522 PHE 62 HE1 0.0044 -0.0033 -0.0010 523 PHE 62 HE2 0.0096 -0.0012 -0.0014 524 PHE 62 HZ 0.0066 -0.0009 -0.0002 525 ARG 63 N 0.0094 -0.0091 -0.0063 526 ARG 63 CA 0.0102 -0.0104 -0.0074 527 ARG 63 C 0.0089 -0.0119 -0.0078 528 ARG 63 O 0.0094 -0.0131 -0.0086 529 ARG 63 CB 0.0115 -0.0104 -0.0078 530 ARG 63 CG 0.0130 -0.0091 -0.0075 531 ARG 63 CD 0.0143 -0.0091 -0.0079 532 ARG 63 NE 0.0149 -0.0105 -0.0090 533 ARG 63 CZ 0.0162 -0.0107 -0.0096 534 ARG 63 NH1 0.0171 -0.0096 -0.0092 535 ARG 63 NH2 0.0166 -0.0121 -0.0105 536 ARG 63 H 0.0095 -0.0084 -0.0059 537 ARG 63 HA 0.0108 -0.0105 -0.0076 538 ARG 63 HB2 0.0110 -0.0102 -0.0074 539 ARG 63 HB3 0.0120 -0.0114 -0.0085 540 ARG 63 HG2 0.0136 -0.0094 -0.0079 541 ARG 63 HG3 0.0126 -0.0080 -0.0067 542 ARG 63 HD2 0.0153 -0.0082 -0.0078 543 ARG 63 HD3 0.0137 -0.0088 -0.0076 544 ARG 63 HE 0.0142 -0.0114 -0.0093 545 ARG 63 HH11 0.0169 -0.0085 -0.0085 546 ARG 63 HH12 0.0181 -0.0097 -0.0096 547 ARG 63 HH21 0.0159 -0.0130 -0.0108 548 ARG 63 HH22 0.0175 -0.0123 -0.0110 549 SER 64 N 0.0073 -0.0116 -0.0072 550 SER 64 CA 0.0059 -0.0128 -0.0075 551 SER 64 C 0.0057 -0.0132 -0.0077 552 SER 64 O 0.0051 -0.0124 -0.0069 553 SER 64 CB 0.0043 -0.0123 -0.0067 554 SER 64 OG 0.0046 -0.0116 -0.0063 555 SER 64 H 0.0070 -0.0106 -0.0065 556 SER 64 HA 0.0062 -0.0137 -0.0082 557 SER 64 HB2 0.0040 -0.0115 -0.0060 558 SER 64 HB3 0.0034 -0.0132 -0.0069 559 SER 64 HG 0.0047 -0.0123 -0.0068 560 LYS 65 N 0.0063 -0.0143 -0.0085 561 LYS 65 CA 0.0062 -0.0148 -0.0087 562 LYS 65 C 0.0044 -0.0151 -0.0084 563 LYS 65 O 0.0042 -0.0148 -0.0082 564 LYS 65 CB 0.0072 -0.0161 -0.0099 565 LYS 65 CG 0.0068 -0.0175 -0.0106 566 LYS 65 CD 0.0050 -0.0183 -0.0106 567 LYS 65 CE 0.0046 -0.0196 -0.0113 568 LYS 65 NZ 0.0029 -0.0203 -0.0113 569 LYS 65 H 0.0067 -0.0149 -0.0090 570 LYS 65 HA 0.0068 -0.0139 -0.0083 571 LYS 65 HB2 0.0069 -0.0165 -0.0100 572 LYS 65 HB3 0.0085 -0.0158 -0.0100 573 LYS 65 HG2 0.0076 -0.0183 -0.0113 574 LYS 65 HG3 0.0070 -0.0171 -0.0104 575 LYS 65 HD2 0.0041 -0.0175 -0.0099 576 LYS 65 HD3 0.0048 -0.0187 -0.0108 577 LYS 65 HE2 0.0055 -0.0204 -0.0120 578 LYS 65 HE3 0.0049 -0.0192 -0.0111 579 LYS 65 HZ1 0.0026 -0.0207 -0.0114 580 LYS 65 HZ2 0.0021 -0.0196 -0.0106 581 LYS 65 HZ3 0.0027 -0.0212 -0.0118 582 ASP 66 N 0.0032 -0.0155 -0.0084 583 ASP 66 CA 0.0014 -0.0159 -0.0081 584 ASP 66 C 0.0007 -0.0145 -0.0070 585 ASP 66 O -0.0004 -0.0145 -0.0067 586 ASP 66 CB 0.0003 -0.0167 -0.0083 587 ASP 66 CG -0.0014 -0.0173 -0.0082 588 ASP 66 OD1 -0.0016 -0.0186 -0.0090 589 ASP 66 OD2 -0.0026 -0.0166 -0.0074 590 ASP 66 H 0.0034 -0.0156 -0.0085 591 ASP 66 HA 0.0014 -0.0166 -0.0086 592 ASP 66 HB2 0.0010 -0.0176 -0.0091 593 ASP 66 HB3 0.0002 -0.0159 -0.0078 594 HIS 67 N 0.0013 -0.0134 -0.0065 595 HIS 67 CA 0.0008 -0.0119 -0.0054 596 HIS 67 C 0.0013 -0.0114 -0.0052 597 HIS 67 O 0.0003 -0.0109 -0.0046 598 HIS 67 CB 0.0017 -0.0108 -0.0049 599 HIS 67 CG 0.0012 -0.0093 -0.0038 600 HIS 67 ND1 -0.0004 -0.0091 -0.0032 601 HIS 67 CD2 0.0020 -0.0082 -0.0033 602 HIS 67 CE1 -0.0006 -0.0079 -0.0023 603 HIS 67 NE2 0.0008 -0.0073 -0.0023 604 HIS 67 H 0.0021 -0.0135 -0.0069 605 HIS 67 HA -0.0005 -0.0120 -0.0050 606 HIS 67 HB2 0.0013 -0.0111 -0.0050 607 HIS 67 HB3 0.0030 -0.0106 -0.0053 608 HIS 67 HD1 -0.0013 -0.0098 -0.0033 609 HIS 67 HD2 0.0033 -0.0080 -0.0036 610 HIS 67 HE1 -0.0017 -0.0074 -0.0016 611 LYS 68 N 0.0030 -0.0113 -0.0056 612 LYS 68 CA 0.0036 -0.0107 -0.0055 613 LYS 68 C 0.0029 -0.0117 -0.0059 614 LYS 68 O 0.0027 -0.0112 -0.0055 615 LYS 68 CB 0.0055 -0.0105 -0.0059 616 LYS 68 CG 0.0062 -0.0096 -0.0055 617 LYS 68 CD 0.0081 -0.0095 -0.0060 618 LYS 68 CE 0.0086 -0.0110 -0.0072 619 LYS 68 NZ 0.0104 -0.0109 -0.0076 620 LYS 68 H 0.0037 -0.0117 -0.0061 621 LYS 68 HA 0.0032 -0.0096 -0.0047 622 LYS 68 HB2 0.0058 -0.0116 -0.0067 623 LYS 68 HB3 0.0060 -0.0100 -0.0057 624 LYS 68 HG2 0.0057 -0.0085 -0.0048 625 LYS 68 HG3 0.0057 -0.0101 -0.0057 626 LYS 68 HD2 0.0086 -0.0090 -0.0059 627 LYS 68 HD3 0.0085 -0.0088 -0.0057 628 LYS 68 HE2 0.0080 -0.0115 -0.0073 629 LYS 68 HE3 0.0082 -0.0116 -0.0075 630 LYS 68 HZ1 0.0110 -0.0104 -0.0075 631 LYS 68 HZ2 0.0107 -0.0119 -0.0084 632 LYS 68 HZ3 0.0108 -0.0102 -0.0074 633 LYS 69 N 0.0025 -0.0131 -0.0067 634 LYS 69 CA 0.0015 -0.0142 -0.0072 635 LYS 69 C -0.0002 -0.0138 -0.0063 636 LYS 69 O -0.0007 -0.0139 -0.0062 637 LYS 69 CB 0.0013 -0.0156 -0.0080 638 LYS 69 CG -0.0001 -0.0168 -0.0084 639 LYS 69 CD -0.0002 -0.0180 -0.0091 640 LYS 69 CE -0.0016 -0.0193 -0.0096 641 LYS 69 NZ -0.0016 -0.0204 -0.0102 642 LYS 69 H 0.0028 -0.0134 -0.0070 643 LYS 69 HA 0.0022 -0.0144 -0.0075 644 LYS 69 HB2 0.0024 -0.0160 -0.0086 645 LYS 69 HB3 0.0010 -0.0153 -0.0077 646 LYS 69 HG2 -0.0012 -0.0164 -0.0077 647 LYS 69 HG3 0.0003 -0.0172 -0.0088 648 LYS 69 HD2 0.0010 -0.0184 -0.0097 649 LYS 69 HD3 -0.0004 -0.0175 -0.0087 650 LYS 69 HE2 -0.0028 -0.0189 -0.0089 651 LYS 69 HE3 -0.0013 -0.0199 -0.0100 652 LYS 69 HZ1 -0.0026 -0.0213 -0.0105 653 LYS 69 HZ2 -0.0018 -0.0198 -0.0098 654 LYS 69 HZ3 -0.0004 -0.0207 -0.0108 655 ARG 70 N -0.0010 -0.0132 -0.0057 656 ARG 70 CA -0.0026 -0.0128 -0.0049 657 ARG 70 C -0.0024 -0.0114 -0.0041 658 ARG 70 O -0.0035 -0.0112 -0.0036 659 ARG 70 CB -0.0035 -0.0126 -0.0045 660 ARG 70 CG -0.0053 -0.0123 -0.0037 661 ARG 70 CD -0.0064 -0.0135 -0.0042 662 ARG 70 NE -0.0081 -0.0132 -0.0035 663 ARG 70 CZ -0.0091 -0.0137 -0.0035 664 ARG 70 NH1 -0.0085 -0.0146 -0.0043 665 ARG 70 NH2 -0.0106 -0.0134 -0.0028 666 ARG 70 H -0.0006 -0.0132 -0.0058 667 ARG 70 HA -0.0034 -0.0137 -0.0053 668 ARG 70 HB2 -0.0035 -0.0135 -0.0051 669 ARG 70 HB3 -0.0028 -0.0116 -0.0041 670 ARG 70 HG2 -0.0059 -0.0121 -0.0034 671 ARG 70 HG3 -0.0053 -0.0112 -0.0030 672 ARG 70 HD2 -0.0059 -0.0137 -0.0045 673 ARG 70 HD3 -0.0065 -0.0145 -0.0048 674 ARG 70 HE -0.0086 -0.0126 -0.0029 675 ARG 70 HH11 -0.0074 -0.0149 -0.0048 676 ARG 70 HH12 -0.0092 -0.0150 -0.0043 677 ARG 70 HH21 -0.0111 -0.0128 -0.0022 678 ARG 70 HH22 -0.0114 -0.0138 -0.0028 679 LEU 71 N -0.0010 -0.0105 -0.0040 680 LEU 71 CA -0.0005 -0.0092 -0.0032 681 LEU 71 C -0.0003 -0.0094 -0.0034 682 LEU 71 O -0.0007 -0.0086 -0.0028 683 LEU 71 CB 0.0011 -0.0083 -0.0031 684 LEU 71 CG 0.0010 -0.0079 -0.0028 685 LEU 71 CD1 0.0027 -0.0069 -0.0027 686 LEU 71 CD2 -0.0005 -0.0072 -0.0019 687 LEU 71 H -0.0002 -0.0108 -0.0044 688 LEU 71 HA -0.0016 -0.0085 -0.0024 689 LEU 71 HB2 0.0021 -0.0089 -0.0038 690 LEU 71 HB3 0.0013 -0.0073 -0.0025 691 LEU 71 HG 0.0009 -0.0089 -0.0035 692 LEU 71 HD11 0.0028 -0.0059 -0.0021 693 LEU 71 HD12 0.0037 -0.0075 -0.0034 694 LEU 71 HD13 0.0026 -0.0067 -0.0025 695 LEU 71 HD21 -0.0016 -0.0079 -0.0020 696 LEU 71 HD22 -0.0004 -0.0062 -0.0012 697 LEU 71 HD23 -0.0004 -0.0069 -0.0017 698 LYS 72 N 0.0006 -0.0106 -0.0044 699 LYS 72 CA 0.0009 -0.0110 -0.0048 700 LYS 72 C -0.0007 -0.0115 -0.0046 701 LYS 72 O -0.0009 -0.0111 -0.0043 702 LYS 72 CB 0.0019 -0.0121 -0.0060 703 LYS 72 CG 0.0024 -0.0126 -0.0065 704 LYS 72 CD 0.0035 -0.0137 -0.0076 705 LYS 72 CE 0.0040 -0.0142 -0.0081 706 LYS 72 NZ 0.0051 -0.0152 -0.0092 707 LYS 72 H 0.0009 -0.0111 -0.0049 708 LYS 72 HA 0.0016 -0.0100 -0.0044 709 LYS 72 HB2 0.0031 -0.0117 -0.0061 710 LYS 72 HB3 0.0013 -0.0130 -0.0064 711 LYS 72 HG2 0.0013 -0.0131 -0.0064 712 LYS 72 HG3 0.0030 -0.0117 -0.0061 713 LYS 72 HD2 0.0046 -0.0132 -0.0077 714 LYS 72 HD3 0.0029 -0.0146 -0.0080 715 LYS 72 HE2 0.0029 -0.0147 -0.0081 716 LYS 72 HE3 0.0046 -0.0132 -0.0077 717 LYS 72 HZ1 0.0046 -0.0161 -0.0097 718 LYS 72 HZ2 0.0062 -0.0147 -0.0093 719 LYS 72 HZ3 0.0054 -0.0155 -0.0095 720 GLN 73 N -0.0020 -0.0123 -0.0048 721 GLN 73 CA -0.0037 -0.0129 -0.0046 722 GLN 73 C -0.0047 -0.0117 -0.0035 723 GLN 73 O -0.0056 -0.0116 -0.0032 724 GLN 73 CB -0.0047 -0.0141 -0.0051 725 GLN 73 CG -0.0038 -0.0154 -0.0063 726 GLN 73 CD -0.0048 -0.0165 -0.0067 727 GLN 73 OE1 -0.0056 -0.0160 -0.0061 728 GLN 73 NE2 -0.0047 -0.0179 -0.0076 729 GLN 73 H -0.0017 -0.0126 -0.0050 730 GLN 73 HA -0.0035 -0.0134 -0.0051 731 GLN 73 HB2 -0.0048 -0.0135 -0.0047 732 GLN 73 HB3 -0.0059 -0.0144 -0.0050 733 GLN 73 HG2 -0.0037 -0.0160 -0.0067 734 GLN 73 HG3 -0.0026 -0.0150 -0.0064 735 GLN 73 HE21 -0.0040 -0.0181 -0.0080 736 GLN 73 HE22 -0.0053 -0.0186 -0.0079 737 LEU 74 N -0.0046 -0.0106 -0.0029 738 LEU 74 CA -0.0055 -0.0094 -0.0018 739 LEU 74 C -0.0047 -0.0082 -0.0012 740 LEU 74 O -0.0054 -0.0072 -0.0003 741 LEU 74 CB -0.0057 -0.0088 -0.0013 742 LEU 74 CG -0.0068 -0.0076 -0.0001 743 LEU 74 CD1 -0.0086 -0.0082 0.0001 744 LEU 74 CD2 -0.0068 -0.0071 0.0002 745 LEU 74 H -0.0038 -0.0107 -0.0032 746 LEU 74 HA -0.0067 -0.0098 -0.0017 747 LEU 74 HB2 -0.0061 -0.0097 -0.0018 748 LEU 74 HB3 -0.0044 -0.0083 -0.0014 749 LEU 74 HG -0.0063 -0.0067 0.0003 750 LEU 74 HD11 -0.0093 -0.0073 0.0009 751 LEU 74 HD12 -0.0091 -0.0091 -0.0004 752 LEU 74 HD13 -0.0086 -0.0084 -0.0001 753 LEU 74 HD21 -0.0073 -0.0080 -0.0003 754 LEU 74 HD22 -0.0076 -0.0063 0.0010 755 LEU 74 HD23 -0.0055 -0.0067 0.0001 756 SER 75 N -0.0030 -0.0083 -0.0018 757 SER 75 CA -0.0020 -0.0072 -0.0014 758 SER 75 C -0.0013 -0.0057 -0.0006 759 SER 75 O -0.0009 -0.0046 0.0000 760 SER 75 CB -0.0030 -0.0070 -0.0009 761 SER 75 OG -0.0020 -0.0061 -0.0006 762 SER 75 H -0.0025 -0.0090 -0.0025 763 SER 75 HA -0.0009 -0.0077 -0.0020 764 SER 75 HB2 -0.0034 -0.0081 -0.0015 765 SER 75 HB3 -0.0041 -0.0066 -0.0003 766 SER 75 HG -0.0022 -0.0066 -0.0009 767 VAL 76 N -0.0013 -0.0058 -0.0007 768 VAL 76 CA -0.0006 -0.0045 0.0000 769 VAL 76 C 0.0012 -0.0039 -0.0002 770 VAL 76 O 0.0017 -0.0027 0.0005 771 VAL 76 CB -0.0007 -0.0048 -0.0002 772 VAL 76 CG1 -0.0000 -0.0035 0.0005 773 VAL 76 CG2 -0.0026 -0.0054 0.0000 774 VAL 76 H -0.0016 -0.0067 -0.0012 775 VAL 76 HA -0.0014 -0.0037 0.0008 776 VAL 76 HB -0.0000 -0.0057 -0.0010 777 VAL 76 HG11 -0.0001 -0.0037 0.0004 778 VAL 76 HG12 -0.0007 -0.0026 0.0013 779 VAL 76 HG13 0.0013 -0.0031 0.0004 780 VAL 76 HG21 -0.0026 -0.0056 -0.0001 781 VAL 76 HG22 -0.0030 -0.0064 -0.0005 782 VAL 76 HG23 -0.0033 -0.0045 0.0008 783 GLU 77 N 0.0023 -0.0049 -0.0011 784 GLU 77 CA 0.0040 -0.0045 -0.0015 785 GLU 77 C 0.0047 -0.0058 -0.0026 786 GLU 77 O 0.0051 -0.0068 -0.0034 787 GLU 77 CB 0.0051 -0.0038 -0.0014 788 GLU 77 CG 0.0048 -0.0047 -0.0019 789 GLU 77 CD 0.0060 -0.0041 -0.0018 790 GLU 77 OE1 0.0057 -0.0030 -0.0009 791 GLU 77 OE2 0.0072 -0.0046 -0.0026 792 GLU 77 H 0.0019 -0.0059 -0.0017 793 GLU 77 HA 0.0041 -0.0037 -0.0009 794 GLU 77 HB2 0.0064 -0.0038 -0.0017 795 GLU 77 HB3 0.0048 -0.0028 -0.0005 796 GLU 77 HG2 0.0036 -0.0048 -0.0015 797 GLU 77 HG3 0.0051 -0.0058 -0.0027 798 PRO 78 N 0.0048 -0.0059 -0.0027 799 PRO 78 CA 0.0056 -0.0070 -0.0037 800 PRO 78 C 0.0075 -0.0068 -0.0041 801 PRO 78 O 0.0083 -0.0055 -0.0035 802 PRO 78 CB 0.0053 -0.0068 -0.0034 803 PRO 78 CG 0.0039 -0.0059 -0.0024 804 PRO 78 CD 0.0042 -0.0050 -0.0018 805 PRO 78 HA 0.0051 -0.0081 -0.0042 806 PRO 78 HB2 0.0064 -0.0062 -0.0034 807 PRO 78 HB3 0.0049 -0.0078 -0.0040 808 PRO 78 HG2 0.0041 -0.0052 -0.0019 809 PRO 78 HG3 0.0027 -0.0066 -0.0024 810 PRO 78 HD2 0.0050 -0.0040 -0.0014 811 PRO 78 HD3 0.0030 -0.0048 -0.0013 812 TYR 79 N 0.0082 -0.0079 -0.0051 813 TYR 79 CA 0.0098 -0.0078 -0.0055 814 TYR 79 C 0.0100 -0.0069 -0.0050 815 TYR 79 O 0.0104 -0.0057 -0.0042 816 TYR 79 CB 0.0111 -0.0072 -0.0056 817 TYR 79 CG 0.0110 -0.0082 -0.0062 818 TYR 79 CD1 0.0101 -0.0080 -0.0058 819 TYR 79 CD2 0.0119 -0.0092 -0.0073 820 TYR 79 CE1 0.0100 -0.0089 -0.0064 821 TYR 79 CE2 0.0118 -0.0101 -0.0079 822 TYR 79 CZ 0.0109 -0.0099 -0.0075 823 TYR 79 OH 0.0108 -0.0108 -0.0081 824 TYR 79 H 0.0075 -0.0087 -0.0055 825 TYR 79 HA 0.0099 -0.0088 -0.0063 826 TYR 79 HB2 0.0109 -0.0063 -0.0048 827 TYR 79 HB3 0.0122 -0.0072 -0.0059 828 TYR 79 HD1 0.0094 -0.0072 -0.0050 829 TYR 79 HD2 0.0126 -0.0093 -0.0076 830 TYR 79 HE1 0.0093 -0.0088 -0.0061 831 TYR 79 HE2 0.0125 -0.0109 -0.0087 832 TYR 79 HH 0.0107 -0.0117 -0.0087 833 SER 80 N 0.0098 -0.0077 -0.0055 834 SER 80 CA 0.0099 -0.0071 -0.0050 835 SER 80 C 0.0114 -0.0072 -0.0056 836 SER 80 O 0.0126 -0.0076 -0.0063 837 SER 80 CB 0.0084 -0.0078 -0.0051 838 SER 80 OG 0.0082 -0.0072 -0.0046 839 SER 80 H 0.0096 -0.0087 -0.0061 840 SER 80 HA 0.0098 -0.0060 -0.0043 841 SER 80 HB2 0.0073 -0.0077 -0.0047 842 SER 80 HB3 0.0085 -0.0089 -0.0058 843 SER 80 HG 0.0078 -0.0064 -0.0039 844 GLN 81 N 0.0114 -0.0071 -0.0057 845 GLN 81 CA 0.0127 -0.0072 -0.0061 846 GLN 81 C 0.0129 -0.0086 -0.0070 847 GLN 81 O 0.0118 -0.0094 -0.0072 848 GLN 81 CB 0.0126 -0.0066 -0.0058 849 GLN 81 CG 0.0141 -0.0065 -0.0061 850 GLN 81 CD 0.0140 -0.0060 -0.0059 851 GLN 81 OE1 0.0130 -0.0062 -0.0057 852 GLN 81 NE2 0.0152 -0.0053 -0.0058 853 GLN 81 H 0.0105 -0.0069 -0.0053 854 GLN 81 HA 0.0136 -0.0067 -0.0061 855 GLN 81 HB2 0.0123 -0.0057 -0.0051 856 GLN 81 HB3 0.0119 -0.0072 -0.0059 857 GLN 81 HG2 0.0144 -0.0074 -0.0068 858 GLN 81 HG3 0.0148 -0.0058 -0.0060 859 GLN 81 HE21 0.0160 -0.0052 -0.0060 860 GLN 81 HE22 0.0152 -0.0050 -0.0056 861 GLU 82 N 0.0143 -0.0088 -0.0075 862 GLU 82 CA 0.0146 -0.0098 -0.0085 863 GLU 82 C 0.0147 -0.0100 -0.0087 864 GLU 82 O 0.0150 -0.0108 -0.0095 865 GLU 82 CB 0.0138 -0.0109 -0.0087 866 GLU 82 CG 0.0141 -0.0121 -0.0097 867 GLU 82 CD 0.0133 -0.0130 -0.0099 868 GLU 82 OE1 0.0123 -0.0135 -0.0096 869 GLU 82 OE2 0.0137 -0.0133 -0.0104 870 GLU 82 H 0.0149 -0.0081 -0.0075 871 GLU 82 HA 0.0155 -0.0096 -0.0090 872 GLU 82 HB2 0.0139 -0.0107 -0.0086 873 GLU 82 HB3 0.0129 -0.0111 -0.0082 874 GLU 82 HG2 0.0140 -0.0123 -0.0099 875 GLU 82 HG3 0.0150 -0.0119 -0.0102 876 GLU 83 N 0.0144 -0.0095 -0.0083 877 GLU 83 CA 0.0144 -0.0099 -0.0086 878 GLU 83 C 0.0153 -0.0088 -0.0081 879 GLU 83 O 0.0165 -0.0090 -0.0086 880 GLU 83 CB 0.0129 -0.0102 -0.0084 881 GLU 83 CG 0.0128 -0.0106 -0.0086 882 GLU 83 CD 0.0112 -0.0111 -0.0085 883 GLU 83 OE1 0.0104 -0.0104 -0.0077 884 GLU 83 OE2 0.0108 -0.0123 -0.0092 885 GLU 83 H 0.0141 -0.0087 -0.0077 886 GLU 83 HA 0.0150 -0.0107 -0.0093 887 GLU 83 HB2 0.0123 -0.0110 -0.0087 888 GLU 83 HB3 0.0123 -0.0094 -0.0076 889 GLU 83 HG2 0.0132 -0.0098 -0.0082 890 GLU 83 HG3 0.0134 -0.0114 -0.0093 891 ALA 84 N 0.0148 -0.0078 -0.0073 892 ALA 84 CA 0.0155 -0.0069 -0.0068 893 ALA 84 C 0.0163 -0.0062 -0.0065 894 ALA 84 O 0.0167 -0.0052 -0.0059 895 ALA 84 CB 0.0147 -0.0063 -0.0060 896 ALA 84 H 0.0140 -0.0078 -0.0069 897 ALA 84 HA 0.0162 -0.0071 -0.0072 898 ALA 84 HB1 0.0153 -0.0056 -0.0056 899 ALA 84 HB2 0.0140 -0.0061 -0.0055 900 ALA 84 HB3 0.0143 -0.0068 -0.0062 901 GLU 85 N 0.0163 -0.0070 -0.0071 902 GLU 85 CA 0.0169 -0.0066 -0.0070 903 GLU 85 C 0.0169 -0.0074 -0.0077 904 GLU 85 O 0.0161 -0.0078 -0.0077 905 GLU 85 CB 0.0162 -0.0060 -0.0062 906 GLU 85 CG 0.0168 -0.0054 -0.0059 907 GLU 85 CD 0.0170 -0.0058 -0.0064 908 GLU 85 OE1 0.0162 -0.0059 -0.0062 909 GLU 85 OE2 0.0178 -0.0061 -0.0069 910 GLU 85 H 0.0160 -0.0076 -0.0076 911 GLU 85 HA 0.0177 -0.0062 -0.0070 912 GLU 85 HB2 0.0160 -0.0055 -0.0057 913 GLU 85 HB3 0.0154 -0.0064 -0.0063 914 GLU 85 HG2 0.0177 -0.0052 -0.0061 915 GLU 85 HG3 0.0165 -0.0048 -0.0053 916 ARG 86 N 0.0181 -0.0086 -0.0091 917 ARG 86 CA 0.0179 -0.0086 -0.0094 918 ARG 86 C 0.0178 -0.0086 -0.0095 919 ARG 86 O 0.0180 -0.0085 -0.0094 920 ARG 86 CB 0.0180 -0.0085 -0.0098 921 ARG 86 CG 0.0184 -0.0083 -0.0098 922 ARG 86 CD 0.0186 -0.0083 -0.0099 923 ARG 86 NE 0.0190 -0.0082 -0.0099 924 ARG 86 CZ 0.0192 -0.0081 -0.0099 925 ARG 86 NH1 0.0190 -0.0081 -0.0099 926 ARG 86 NH2 0.0196 -0.0080 -0.0099 927 ARG 86 H 0.0183 -0.0085 -0.0091 928 ARG 86 HA 0.0176 -0.0087 -0.0094 929 ARG 86 HB2 0.0179 -0.0084 -0.0100 930 ARG 86 HB3 0.0179 -0.0085 -0.0098 931 ARG 86 HG2 0.0185 -0.0083 -0.0101 932 ARG 86 HG3 0.0186 -0.0083 -0.0096 933 ARG 86 HD2 0.0185 -0.0083 -0.0097 934 ARG 86 HD3 0.0185 -0.0083 -0.0102 935 ARG 86 HE 0.0191 -0.0081 -0.0099 936 ARG 86 HH11 0.0188 -0.0082 -0.0099 937 ARG 86 HH12 0.0192 -0.0081 -0.0099 938 ARG 86 HH21 0.0197 -0.0080 -0.0099 939 ARG 86 HH22 0.0197 -0.0080 -0.0099 940 ALA 87 N 0.0182 -0.0095 -0.0113 941 ALA 87 CA 0.0183 -0.0096 -0.0122 942 ALA 87 C 0.0181 -0.0094 -0.0118 943 ALA 87 O 0.0185 -0.0098 -0.0122 944 ALA 87 CB 0.0190 -0.0105 -0.0127 945 ALA 87 H 0.0186 -0.0100 -0.0107 946 ALA 87 HA 0.0179 -0.0091 -0.0129 947 ALA 87 HB1 0.0194 -0.0110 -0.0121 948 ALA 87 HB2 0.0191 -0.0106 -0.0130 949 ALA 87 HB3 0.0191 -0.0106 -0.0134 950 ALA 88 N 0.0165 -0.0081 -0.0105 951 ALA 88 CA 0.0161 -0.0067 -0.0101 952 ALA 88 C 0.0153 -0.0054 -0.0103 953 ALA 88 O 0.0156 -0.0045 -0.0094 954 ALA 88 CB 0.0172 -0.0064 -0.0087 955 ALA 88 H 0.0167 -0.0080 -0.0102 956 ALA 88 HA 0.0157 -0.0069 -0.0108 957 ALA 88 HB1 0.0177 -0.0062 -0.0081 958 ALA 88 HB2 0.0178 -0.0074 -0.0087 959 ALA 88 HB3 0.0169 -0.0054 -0.0085 960 GLY 89 N 0.0141 -0.0035 -0.0099 961 GLY 89 CA 0.0103 -0.0025 -0.0099 962 GLY 89 C 0.0040 -0.0027 -0.0107 963 GLY 89 O 0.0021 0.0005 -0.0097 964 GLY 89 H 0.0128 -0.0052 -0.0106 965 GLY 89 HA2 0.0110 0.0015 -0.0084 966 GLY 89 HA3 0.0111 -0.0057 -0.0110 967 MET 90 N 0.0020 -0.0054 -0.0138 968 MET 90 CA -0.0086 -0.0069 -0.0153 969 MET 90 C -0.0156 0.0016 -0.0113 970 MET 90 O -0.0160 0.0083 -0.0078 971 MET 90 CB -0.0086 -0.0099 -0.0169 972 MET 90 CG -0.0190 -0.0136 -0.0195 973 MET 90 SD -0.0300 -0.0054 -0.0160 974 MET 90 CE -0.0397 -0.0120 -0.0201 975 MET 90 H 0.0047 -0.0095 -0.0157 976 MET 90 HA -0.0116 -0.0125 -0.0184 977 MET 90 HB2 -0.0027 -0.0153 -0.0193 978 MET 90 HB3 -0.0065 -0.0040 -0.0136 979 MET 90 HG2 -0.0211 -0.0195 -0.0228 980 MET 90 HG3 -0.0176 -0.0159 -0.0206 981 MET 90 HE1 -0.0411 -0.0182 -0.0235 982 MET 90 HE2 -0.0469 -0.0078 -0.0184 983 MET 90 HE3 -0.0371 -0.0138 -0.0209 984 GLY 91 N -0.0199 0.0013 -0.0131 985 GLY 91 CA -0.0277 0.0095 -0.0093 986 GLY 91 C -0.0400 0.0042 -0.0107 987 GLY 91 O -0.0435 0.0026 -0.0112 988 GLY 91 H -0.0182 -0.0056 -0.0161 989 GLY 91 HA2 -0.0287 0.0165 -0.0064 990 GLY 91 HA3 -0.0239 0.0126 -0.0083 991 SER 92 N -0.0481 0.0007 -0.0106 992 SER 92 CA -0.0611 -0.0051 -0.0129 993 SER 92 C -0.0712 0.0026 -0.0081 994 SER 92 O -0.0698 0.0055 -0.0066 995 SER 92 CB -0.0601 -0.0170 -0.0195 996 SER 92 OG -0.0504 -0.0240 -0.0239 997 SER 92 H -0.0436 0.0023 -0.0101 998 SER 92 HA -0.0642 -0.0066 -0.0135 999 SER 92 HB2 -0.0570 -0.0157 -0.0189 1000 SER 92 HB3 -0.0697 -0.0216 -0.0213 1001 SER 92 HG -0.0456 -0.0187 -0.0213 1002 TYR 93 N -0.0823 0.0062 -0.0048 1003 TYR 93 CA -0.0946 0.0140 0.0002 1004 TYR 93 C -0.1087 0.0050 -0.0028 1005 TYR 93 O -0.1083 -0.0053 -0.0077 1006 TYR 93 CB -0.0952 0.0267 0.0063 1007 TYR 93 CG -0.1062 0.0371 0.0123 1008 TYR 93 CD1 -0.1020 0.0472 0.0167 1009 TYR 93 CD2 -0.1207 0.0367 0.0136 1010 TYR 93 CE1 -0.1118 0.0566 0.0222 1011 TYR 93 CE2 -0.1306 0.0461 0.0191 1012 TYR 93 CZ -0.1261 0.0561 0.0234 1013 TYR 93 OH -0.1360 0.0655 0.0288 1014 TYR 93 H -0.0818 0.0036 -0.0061 1015 TYR 93 HA -0.0930 0.0171 0.0015 1016 TYR 93 HB2 -0.0843 0.0318 0.0076 1017 TYR 93 HB3 -0.0981 0.0234 0.0050 1018 TYR 93 HD1 -0.0907 0.0476 0.0158 1019 TYR 93 HD2 -0.1242 0.0289 0.0102 1020 TYR 93 HE1 -0.1083 0.0645 0.0256 1021 TYR 93 HE2 -0.1419 0.0457 0.0200 1022 TYR 93 HH -0.1450 0.0605 0.0273 1023 VAL 94 N -0.1206 0.0085 0.0001 1024 VAL 94 CA -0.1348 0.0007 -0.0022 1025 VAL 94 C -0.1409 0.0006 -0.0016 1026 VAL 94 O -0.1455 0.0113 0.0039 1027 VAL 94 CB -0.1468 0.0051 0.0011 1028 VAL 94 CG1 -0.1501 0.0201 0.0086 1029 VAL 94 CG2 -0.1611 -0.0037 -0.0017 1030 VAL 94 H -0.1200 0.0164 0.0038 1031 VAL 94 HA -0.1321 -0.0096 -0.0074 1032 VAL 94 HB -0.1422 0.0036 -0.0001 1033 VAL 94 HG11 -0.1583 0.0225 0.0106 1034 VAL 94 HG12 -0.1543 0.0221 0.0099 1035 VAL 94 HG13 -0.1399 0.0261 0.0104 1036 VAL 94 HG21 -0.1656 -0.0028 -0.0008 1037 VAL 94 HG22 -0.1691 -0.0005 0.0007 1038 VAL 94 HG23 -0.1587 -0.0141 -0.0069