1 ASP 28 N -0.0114 -0.0099 -0.0059 2 ASP 28 CA -0.0022 -0.0071 -0.0044 3 ASP 28 C 0.0087 -0.0070 -0.0035 4 ASP 28 O 0.0112 -0.0147 -0.0054 5 ASP 28 CB -0.0014 -0.0152 -0.0066 6 ASP 28 CG 0.0079 -0.0128 -0.0052 7 ASP 28 OD1 0.0071 -0.0043 -0.0029 8 ASP 28 OD2 0.0157 -0.0195 -0.0064 9 ASP 28 H -0.0191 -0.0102 -0.0066 10 ASP 28 HA -0.0041 0.0010 -0.0023 11 ASP 28 HB2 -0.0092 -0.0152 -0.0072 12 ASP 28 HB3 0.0002 -0.0233 -0.0087 13 PRO 29 N 0.0061 -0.0023 0.0068 14 PRO 29 CA 0.0219 0.0037 0.0036 15 PRO 29 C 0.0336 -0.0091 -0.0047 16 PRO 29 O 0.0349 -0.0170 -0.0078 17 PRO 29 CB 0.0278 0.0176 0.0065 18 PRO 29 CG 0.0132 0.0219 0.0128 19 PRO 29 CD 0.0018 0.0069 0.0114 20 PRO 29 HA 0.0211 0.0079 0.0054 21 PRO 29 HB2 0.0366 0.0135 0.0022 22 PRO 29 HB3 0.0334 0.0274 0.0081 23 PRO 29 HG2 0.0164 0.0262 0.0133 24 PRO 29 HG3 0.0078 0.0310 0.0178 25 PRO 29 HD2 0.0036 0.0005 0.0086 26 PRO 29 HD3 -0.0104 0.0099 0.0165 27 ASN 30 N 0.0220 -0.0084 -0.0005 28 ASN 30 CA 0.0229 -0.0088 -0.0040 29 ASN 30 C 0.0181 -0.0066 -0.0117 30 ASN 30 O 0.0120 -0.0037 -0.0113 31 ASN 30 CB 0.0218 -0.0082 0.0027 32 ASN 30 CG 0.0225 -0.0086 -0.0003 33 ASN 30 OD1 0.0286 -0.0115 -0.0003 34 ASN 30 ND2 0.0164 -0.0058 -0.0027 35 ASN 30 H 0.0264 -0.0105 0.0006 36 ASN 30 HA 0.0287 -0.0116 -0.0060 37 ASN 30 HB2 0.0259 -0.0102 0.0075 38 ASN 30 HB3 0.0163 -0.0057 0.0051 39 ASN 30 HD21 0.0116 -0.0035 -0.0024 40 ASN 30 HD22 0.0168 -0.0059 -0.0047 41 ALA 31 N 0.0116 -0.0200 -0.0092 42 ALA 31 CA 0.0114 -0.0165 -0.0117 43 ALA 31 C 0.0139 -0.0172 -0.0150 44 ALA 31 O 0.0159 -0.0176 -0.0176 45 ALA 31 CB 0.0108 -0.0138 -0.0130 46 ALA 31 H 0.0134 -0.0223 -0.0100 47 ALA 31 HA 0.0097 -0.0151 -0.0103 48 ALA 31 HB1 0.0105 -0.0111 -0.0148 49 ALA 31 HB2 0.0124 -0.0151 -0.0145 50 ALA 31 HB3 0.0090 -0.0132 -0.0107 51 GLU 32 N 0.0059 -0.0108 -0.0104 52 GLU 32 CA 0.0067 -0.0098 -0.0103 53 GLU 32 C 0.0121 0.0011 -0.0072 54 GLU 32 O 0.0154 0.0038 -0.0082 55 GLU 32 CB -0.0027 -0.0136 -0.0043 56 GLU 32 CG -0.0084 -0.0082 0.0052 57 GLU 32 CD -0.0174 -0.0121 0.0108 58 GLU 32 OE1 -0.0180 -0.0083 0.0143 59 GLU 32 OE2 -0.0240 -0.0189 0.0118 60 GLU 32 H 0.0003 -0.0112 -0.0054 61 GLU 32 HA 0.0100 -0.0143 -0.0170 62 GLU 32 HB2 -0.0018 -0.0128 -0.0046 63 GLU 32 HB3 -0.0062 -0.0213 -0.0069 64 GLU 32 HG2 -0.0095 -0.0091 0.0056 65 GLU 32 HG3 -0.0047 -0.0004 0.0077 66 PHE 33 N 0.0052 0.0165 -0.0036 67 PHE 33 CA 0.0069 0.0182 -0.0020 68 PHE 33 C 0.0107 0.0149 -0.0018 69 PHE 33 O 0.0114 0.0112 -0.0032 70 PHE 33 CB 0.0034 0.0191 -0.0031 71 PHE 33 CG 0.0012 0.0153 -0.0059 72 PHE 33 CD1 0.0030 0.0122 -0.0065 73 PHE 33 CD2 -0.0026 0.0149 -0.0078 74 PHE 33 CE1 0.0010 0.0088 -0.0090 75 PHE 33 CE2 -0.0046 0.0115 -0.0102 76 PHE 33 CZ -0.0028 0.0084 -0.0109 77 PHE 33 H 0.0034 0.0143 -0.0054 78 PHE 33 HA 0.0080 0.0211 -0.0002 79 PHE 33 HB2 0.0048 0.0200 -0.0021 80 PHE 33 HB3 0.0010 0.0217 -0.0030 81 PHE 33 HD1 0.0059 0.0125 -0.0051 82 PHE 33 HD2 -0.0040 0.0173 -0.0073 83 PHE 33 HE1 0.0024 0.0064 -0.0095 84 PHE 33 HE2 -0.0076 0.0112 -0.0117 85 PHE 33 HZ -0.0044 0.0057 -0.0128 86 ASP 34 N 0.0057 0.0183 -0.0018 87 ASP 34 CA 0.0086 0.0135 -0.0004 88 ASP 34 C 0.0069 0.0106 -0.0033 89 ASP 34 O 0.0051 0.0132 -0.0044 90 ASP 34 CB 0.0122 0.0149 0.0040 91 ASP 34 CG 0.0154 0.0101 0.0058 92 ASP 34 OD1 0.0153 0.0073 0.0047 93 ASP 34 OD2 0.0181 0.0089 0.0083 94 ASP 34 H 0.0053 0.0214 -0.0012 95 ASP 34 HA 0.0092 0.0110 -0.0007 96 ASP 34 HB2 0.0131 0.0174 0.0059 97 ASP 34 HB3 0.0115 0.0171 0.0041 98 PRO 35 N 0.0070 0.0012 -0.0049 99 PRO 35 CA 0.0028 -0.0028 -0.0087 100 PRO 35 C 0.0067 -0.0036 -0.0060 101 PRO 35 O 0.0037 -0.0072 -0.0088 102 PRO 35 CB 0.0018 -0.0120 -0.0112 103 PRO 35 CG 0.0089 -0.0145 -0.0066 104 PRO 35 CD 0.0111 -0.0059 -0.0034 105 PRO 35 HA -0.0026 0.0009 -0.0118 106 PRO 35 HB2 0.0011 -0.0166 -0.0125 107 PRO 35 HB3 -0.0030 -0.0116 -0.0145 108 PRO 35 HG2 0.0132 -0.0175 -0.0041 109 PRO 35 HG3 0.0079 -0.0193 -0.0082 110 PRO 35 HD2 0.0170 -0.0057 0.0009 111 PRO 35 HD3 0.0092 -0.0052 -0.0045 112 ASP 36 N 0.0087 -0.0039 -0.0053 113 ASP 36 CA 0.0147 -0.0034 -0.0015 114 ASP 36 C 0.0136 0.0078 0.0017 115 ASP 36 O 0.0140 0.0098 0.0026 116 ASP 36 CB 0.0254 -0.0075 0.0033 117 ASP 36 CG 0.0320 -0.0068 0.0075 118 ASP 36 OD1 0.0321 -0.0132 0.0053 119 ASP 36 OD2 0.0375 0.0002 0.0131 120 ASP 36 H 0.0109 -0.0015 -0.0031 121 ASP 36 HA 0.0123 -0.0083 -0.0047 122 ASP 36 HB2 0.0260 -0.0158 0.0008 123 ASP 36 HB3 0.0277 -0.0030 0.0062 124 LEU 37 N 0.0065 0.0108 0.0059 125 LEU 37 CA 0.0062 0.0144 0.0074 126 LEU 37 C 0.0030 0.0162 0.0051 127 LEU 37 O 0.0008 0.0163 0.0029 128 LEU 37 CB 0.0069 0.0172 0.0097 129 LEU 37 CG 0.0103 0.0164 0.0128 130 LEU 37 CD1 0.0121 0.0163 0.0146 131 LEU 37 CD2 0.0117 0.0127 0.0122 132 LEU 37 H 0.0060 0.0107 0.0053 133 LEU 37 HA 0.0077 0.0137 0.0087 134 LEU 37 HB2 0.0058 0.0172 0.0085 135 LEU 37 HB3 0.0060 0.0200 0.0103 136 LEU 37 HG 0.0105 0.0187 0.0142 137 LEU 37 HD11 0.0145 0.0158 0.0167 138 LEU 37 HD12 0.0120 0.0140 0.0132 139 LEU 37 HD13 0.0112 0.0190 0.0151 140 LEU 37 HD21 0.0141 0.0123 0.0144 141 LEU 37 HD22 0.0105 0.0129 0.0111 142 LEU 37 HD23 0.0115 0.0104 0.0108 143 PRO 38 N -0.0002 0.0157 0.0050 144 PRO 38 CA -0.0042 0.0174 0.0060 145 PRO 38 C -0.0046 0.0169 0.0061 146 PRO 38 O -0.0018 0.0180 0.0055 147 PRO 38 CB -0.0040 0.0222 0.0061 148 PRO 38 CG -0.0008 0.0224 0.0053 149 PRO 38 CD 0.0023 0.0190 0.0044 150 PRO 38 HA -0.0068 0.0158 0.0067 151 PRO 38 HB2 -0.0031 0.0240 0.0059 152 PRO 38 HB3 -0.0070 0.0232 0.0069 153 PRO 38 HG2 0.0007 0.0256 0.0050 154 PRO 38 HG3 -0.0022 0.0219 0.0056 155 PRO 38 HD2 0.0048 0.0202 0.0038 156 PRO 38 HD3 0.0037 0.0177 0.0041 157 GLY 39 N -0.0099 0.0156 0.0080 158 GLY 39 CA -0.0073 0.0153 0.0078 159 GLY 39 C -0.0050 0.0140 0.0095 160 GLY 39 O -0.0023 0.0138 0.0089 161 GLY 39 H -0.0117 0.0153 0.0091 162 GLY 39 HA2 -0.0079 0.0151 0.0083 163 GLY 39 HA3 -0.0064 0.0162 0.0057 164 GLY 40 N -0.0032 0.0198 0.0037 165 GLY 40 CA -0.0017 0.0184 0.0047 166 GLY 40 C 0.0012 0.0198 0.0070 167 GLY 40 O 0.0027 0.0193 0.0080 168 GLY 40 H -0.0036 0.0181 0.0033 169 GLY 40 HA2 -0.0015 0.0156 0.0046 170 GLY 40 HA3 -0.0029 0.0193 0.0039 171 GLY 41 N 0.0016 0.0186 0.0100 172 GLY 41 CA 0.0028 0.0196 0.0120 173 GLY 41 C 0.0029 0.0223 0.0121 174 GLY 41 O 0.0038 0.0234 0.0138 175 GLY 41 H 0.0011 0.0181 0.0089 176 GLY 41 HA2 0.0028 0.0192 0.0122 177 GLY 41 HA3 0.0034 0.0187 0.0133 178 LEU 42 N 0.0005 0.0206 0.0123 179 LEU 42 CA 0.0005 0.0232 0.0121 180 LEU 42 C 0.0009 0.0218 0.0116 181 LEU 42 O 0.0007 0.0237 0.0118 182 LEU 42 CB 0.0019 0.0255 0.0096 183 LEU 42 CG 0.0017 0.0271 0.0097 184 LEU 42 CD1 0.0031 0.0293 0.0070 185 LEU 42 CD2 -0.0000 0.0291 0.0124 186 LEU 42 H 0.0017 0.0198 0.0104 187 LEU 42 HA -0.0007 0.0246 0.0140 188 LEU 42 HB2 0.0031 0.0241 0.0076 189 LEU 42 HB3 0.0018 0.0274 0.0095 190 LEU 42 HG 0.0018 0.0252 0.0097 191 LEU 42 HD11 0.0030 0.0305 0.0072 192 LEU 42 HD12 0.0031 0.0312 0.0069 193 LEU 42 HD13 0.0043 0.0278 0.0051 194 LEU 42 HD21 -0.0001 0.0311 0.0124 195 LEU 42 HD22 -0.0001 0.0303 0.0124 196 LEU 42 HD23 -0.0010 0.0275 0.0143 197 HIS 43 N -0.0013 0.0093 0.0056 198 HIS 43 CA -0.0012 0.0094 0.0032 199 HIS 43 C -0.0027 0.0097 0.0018 200 HIS 43 O -0.0048 0.0098 0.0017 201 HIS 43 CB -0.0020 0.0095 0.0029 202 HIS 43 CG -0.0008 0.0093 0.0045 203 HIS 43 ND1 0.0014 0.0092 0.0040 204 HIS 43 CD2 -0.0014 0.0092 0.0066 205 HIS 43 CE1 0.0019 0.0090 0.0057 206 HIS 43 NE2 0.0003 0.0091 0.0073 207 HIS 43 H -0.0029 0.0094 0.0063 208 HIS 43 HA 0.0006 0.0093 0.0026 209 HIS 43 HB2 -0.0038 0.0097 0.0032 210 HIS 43 HB3 -0.0016 0.0096 0.0011 211 HIS 43 HD1 0.0023 0.0092 0.0026 212 HIS 43 HD2 -0.0030 0.0093 0.0076 213 HIS 43 HE1 0.0035 0.0089 0.0057 214 HIS 43 HE2 0.0004 0.0089 0.0089 215 ARG 44 N 0.0119 0.0040 0.0063 216 ARG 44 CA 0.0055 0.0017 0.0036 217 ARG 44 C 0.0064 -0.0037 -0.0012 218 ARG 44 O 0.0108 -0.0050 -0.0019 219 ARG 44 CB 0.0008 0.0043 0.0053 220 ARG 44 CG 0.0003 0.0100 0.0104 221 ARG 44 CD -0.0040 0.0120 0.0117 222 ARG 44 NE -0.0045 0.0175 0.0165 223 ARG 44 CZ -0.0086 0.0201 0.0184 224 ARG 44 NH1 -0.0126 0.0177 0.0158 225 ARG 44 NH2 -0.0088 0.0251 0.0229 226 ARG 44 H 0.0147 0.0039 0.0065 227 ARG 44 HA 0.0031 0.0021 0.0036 228 ARG 44 HB2 0.0023 0.0029 0.0042 229 ARG 44 HB3 -0.0042 0.0030 0.0037 230 ARG 44 HG2 -0.0019 0.0113 0.0113 231 ARG 44 HG3 0.0054 0.0112 0.0120 232 ARG 44 HD2 -0.0021 0.0103 0.0104 233 ARG 44 HD3 -0.0091 0.0108 0.0100 234 ARG 44 HE -0.0014 0.0193 0.0185 235 ARG 44 HH11 -0.0126 0.0139 0.0124 236 ARG 44 HH12 -0.0157 0.0195 0.0172 237 ARG 44 HH21 -0.0059 0.0272 0.0250 238 ARG 44 HH22 -0.0119 0.0271 0.0244 239 CYS 45 N 0.0006 -0.0051 -0.0024 240 CYS 45 CA 0.0011 -0.0047 -0.0033 241 CYS 45 C 0.0023 -0.0045 -0.0057 242 CYS 45 O 0.0027 -0.0028 -0.0064 243 CYS 45 CB 0.0007 -0.0024 -0.0024 244 CYS 45 SG 0.0015 -0.0016 -0.0039 245 CYS 45 H 0.0005 -0.0038 -0.0021 246 CYS 45 HA 0.0009 -0.0063 -0.0030 247 CYS 45 HB2 -0.0001 -0.0029 -0.0008 248 CYS 45 HB3 0.0007 -0.0009 -0.0024 249 LEU 46 N 0.0064 -0.0151 -0.0096 250 LEU 46 CA 0.0126 -0.0149 -0.0320 251 LEU 46 C 0.0194 0.0015 -0.0379 252 LEU 46 O 0.0268 0.0120 -0.0527 253 LEU 46 CB 0.0083 -0.0360 -0.0414 254 LEU 46 CG 0.0017 -0.0533 -0.0376 255 LEU 46 CD1 -0.0026 -0.0739 -0.0460 256 LEU 46 CD2 0.0054 -0.0496 -0.0470 257 LEU 46 H 0.0008 -0.0271 -0.0030 258 LEU 46 HA 0.0153 -0.0112 -0.0379 259 LEU 46 HB2 0.0054 -0.0397 -0.0352 260 LEU 46 HB3 0.0129 -0.0355 -0.0579 261 LEU 46 HG -0.0027 -0.0532 -0.0211 262 LEU 46 HD11 -0.0057 -0.0769 -0.0381 263 LEU 46 HD12 -0.0071 -0.0858 -0.0437 264 LEU 46 HD13 0.0020 -0.0734 -0.0624 265 LEU 46 HD21 0.0079 -0.0357 -0.0397 266 LEU 46 HD22 0.0103 -0.0484 -0.0635 267 LEU 46 HD23 0.0006 -0.0624 -0.0444 268 ALA 47 N 0.0202 0.0019 -0.0157 269 ALA 47 CA 0.0240 0.0074 -0.0141 270 ALA 47 C 0.0265 0.0100 -0.0138 271 ALA 47 O 0.0307 0.0140 -0.0135 272 ALA 47 CB 0.0207 0.0110 -0.0100 273 ALA 47 H 0.0161 0.0012 -0.0139 274 ALA 47 HA 0.0274 0.0071 -0.0163 275 ALA 47 HB1 0.0236 0.0149 -0.0089 276 ALA 47 HB2 0.0173 0.0114 -0.0077 277 ALA 47 HB3 0.0190 0.0091 -0.0102 278 CYS 48 N 0.0074 -0.0050 0.0036 279 CYS 48 CA 0.0061 -0.0066 0.0034 280 CYS 48 C 0.0057 -0.0076 0.0050 281 CYS 48 O 0.0046 -0.0090 0.0052 282 CYS 48 CB 0.0054 -0.0069 0.0013 283 CYS 48 SG 0.0056 -0.0061 -0.0005 284 CYS 48 H 0.0079 -0.0043 0.0035 285 CYS 48 HA 0.0058 -0.0070 0.0036 286 CYS 48 HB2 0.0057 -0.0063 0.0007 287 CYS 48 HB3 0.0044 -0.0081 0.0012 288 ALA 49 N -0.0068 -0.0047 -0.0122 289 ALA 49 CA -0.0091 0.0001 -0.0067 290 ALA 49 C -0.0085 0.0025 -0.0035 291 ALA 49 O -0.0120 0.0063 0.0003 292 ALA 49 CB -0.0164 0.0010 -0.0071 293 ALA 49 H -0.0030 -0.0061 -0.0131 294 ALA 49 HA -0.0056 0.0012 -0.0046 295 ALA 49 HB1 -0.0199 -0.0001 -0.0093 296 ALA 49 HB2 -0.0166 -0.0008 -0.0094 297 ALA 49 HB3 -0.0179 0.0045 -0.0031 298 ARG 50 N -0.0201 0.0040 0.0037 299 ARG 50 CA -0.0031 0.0050 -0.0039 300 ARG 50 C 0.0050 0.0192 -0.0114 301 ARG 50 O 0.0023 0.0217 -0.0109 302 ARG 50 CB 0.0081 -0.0129 -0.0037 303 ARG 50 CG 0.0018 -0.0280 0.0033 304 ARG 50 CD 0.0136 -0.0453 0.0031 305 ARG 50 NE 0.0075 -0.0602 0.0099 306 ARG 50 CZ 0.0148 -0.0772 0.0115 307 ARG 50 NH1 0.0288 -0.0814 0.0067 308 ARG 50 NH2 0.0082 -0.0898 0.0179 309 ARG 50 H -0.0218 -0.0013 0.0060 310 ARG 50 HA -0.0041 0.0090 -0.0046 311 ARG 50 HB2 0.0088 -0.0170 -0.0029 312 ARG 50 HB3 0.0208 -0.0110 -0.0097 313 ARG 50 HG2 0.0014 -0.0242 0.0024 314 ARG 50 HG3 -0.0109 -0.0302 0.0094 315 ARG 50 HD2 0.0143 -0.0489 0.0038 316 ARG 50 HD3 0.0262 -0.0431 -0.0030 317 ARG 50 HE -0.0026 -0.0568 0.0133 318 ARG 50 HH11 0.0343 -0.0723 0.0017 319 ARG 50 HH12 0.0347 -0.0939 0.0076 320 ARG 50 HH21 -0.0023 -0.0872 0.0217 321 ARG 50 HH22 0.0133 -0.1027 0.0193 322 TYR 51 N -0.0014 0.0115 0.0031 323 TYR 51 CA 0.0006 0.0138 0.0028 324 TYR 51 C 0.0016 0.0127 -0.0008 325 TYR 51 O -0.0001 0.0101 -0.0018 326 TYR 51 CB -0.0005 0.0143 0.0059 327 TYR 51 CG -0.0017 0.0152 0.0097 328 TYR 51 CD1 -0.0045 0.0128 0.0113 329 TYR 51 CD2 -0.0002 0.0183 0.0117 330 TYR 51 CE1 -0.0056 0.0136 0.0147 331 TYR 51 CE2 -0.0013 0.0191 0.0151 332 TYR 51 CZ -0.0040 0.0167 0.0166 333 TYR 51 OH -0.0051 0.0174 0.0200 334 TYR 51 H -0.0032 0.0096 0.0036 335 TYR 51 HA 0.0023 0.0160 0.0031 336 TYR 51 HB2 -0.0021 0.0122 0.0056 337 TYR 51 HB3 0.0011 0.0162 0.0058 338 TYR 51 HD1 -0.0057 0.0104 0.0098 339 TYR 51 HD2 0.0020 0.0202 0.0105 340 TYR 51 HE1 -0.0077 0.0117 0.0159 341 TYR 51 HE2 -0.0000 0.0215 0.0166 342 TYR 51 HH -0.0069 0.0160 0.0213 343 PHE 52 N -0.0082 0.0065 -0.0038 344 PHE 52 CA -0.0071 0.0057 -0.0071 345 PHE 52 C -0.0052 0.0078 -0.0062 346 PHE 52 O -0.0034 0.0104 -0.0040 347 PHE 52 CB -0.0049 0.0058 -0.0105 348 PHE 52 CG -0.0066 0.0038 -0.0117 349 PHE 52 CD1 -0.0069 0.0046 -0.0097 350 PHE 52 CD2 -0.0080 0.0011 -0.0147 351 PHE 52 CE1 -0.0085 0.0027 -0.0108 352 PHE 52 CE2 -0.0096 -0.0007 -0.0158 353 PHE 52 CZ -0.0098 0.0001 -0.0138 354 PHE 52 H -0.0066 0.0083 -0.0029 355 PHE 52 HA -0.0092 0.0036 -0.0079 356 PHE 52 HB2 -0.0027 0.0080 -0.0098 357 PHE 52 HB3 -0.0041 0.0053 -0.0130 358 PHE 52 HD1 -0.0058 0.0067 -0.0074 359 PHE 52 HD2 -0.0078 0.0005 -0.0163 360 PHE 52 HE1 -0.0087 0.0034 -0.0092 361 PHE 52 HE2 -0.0107 -0.0028 -0.0181 362 PHE 52 HZ -0.0111 -0.0014 -0.0146 363 ILE 53 N -0.0234 0.0252 -0.0027 364 ILE 53 CA -0.0265 0.0183 0.0102 365 ILE 53 C -0.0197 0.0103 0.0136 366 ILE 53 O -0.0174 0.0017 0.0227 367 ILE 53 CB -0.0395 0.0244 0.0167 368 ILE 53 CG1 -0.0432 0.0311 0.0115 369 ILE 53 CG2 -0.0465 0.0307 0.0158 370 ILE 53 CD1 -0.0558 0.0371 0.0176 371 ILE 53 H -0.0295 0.0325 -0.0058 372 ILE 53 HA -0.0246 0.0143 0.0135 373 ILE 53 HB -0.0410 0.0187 0.0261 374 ILE 53 HG12 -0.0414 0.0367 0.0020 375 ILE 53 HG13 -0.0382 0.0263 0.0125 376 ILE 53 HG21 -0.0446 0.0360 0.0064 377 ILE 53 HG22 -0.0442 0.0257 0.0201 378 ILE 53 HG23 -0.0556 0.0349 0.0203 379 ILE 53 HD11 -0.0578 0.0318 0.0271 380 ILE 53 HD12 -0.0577 0.0418 0.0134 381 ILE 53 HD13 -0.0611 0.0420 0.0168 382 ASP 54 N -0.0205 0.0117 -0.0008 383 ASP 54 CA -0.0173 0.0106 -0.0006 384 ASP 54 C -0.0142 0.0114 -0.0048 385 ASP 54 O -0.0155 0.0130 -0.0082 386 ASP 54 CB -0.0198 0.0111 0.0001 387 ASP 54 CG -0.0167 0.0100 0.0006 388 ASP 54 OD1 -0.0154 0.0082 0.0043 389 ASP 54 OD2 -0.0155 0.0109 -0.0026 390 ASP 54 H -0.0215 0.0130 -0.0036 391 ASP 54 HA -0.0154 0.0091 0.0021 392 ASP 54 HB2 -0.0221 0.0106 0.0030 393 ASP 54 HB3 -0.0216 0.0127 -0.0026 394 SER 55 N -0.0159 0.0097 -0.0094 395 SER 55 CA -0.0160 0.0092 -0.0095 396 SER 55 C -0.0152 0.0066 -0.0114 397 SER 55 O -0.0161 0.0050 -0.0114 398 SER 55 CB -0.0146 0.0118 -0.0094 399 SER 55 OG -0.0147 0.0114 -0.0096 400 SER 55 H -0.0148 0.0115 -0.0094 401 SER 55 HA -0.0179 0.0087 -0.0082 402 SER 55 HB2 -0.0155 0.0135 -0.0079 403 SER 55 HB3 -0.0128 0.0125 -0.0106 404 SER 55 HG -0.0133 0.0107 -0.0110 405 THR 56 N -0.0202 0.0087 -0.0128 406 THR 56 CA -0.0200 0.0064 -0.0176 407 THR 56 C -0.0224 0.0009 -0.0162 408 THR 56 O -0.0226 -0.0003 -0.0175 409 THR 56 CB -0.0191 0.0056 -0.0230 410 THR 56 OG1 -0.0170 0.0107 -0.0238 411 THR 56 CG2 -0.0185 0.0039 -0.0283 412 THR 56 H -0.0199 0.0092 -0.0134 413 THR 56 HA -0.0187 0.0092 -0.0184 414 THR 56 HB -0.0205 0.0024 -0.0222 415 THR 56 HG1 -0.0175 0.0107 -0.0213 416 THR 56 HG21 -0.0179 0.0033 -0.0320 417 THR 56 HG22 -0.0172 0.0071 -0.0289 418 THR 56 HG23 -0.0201 0.0001 -0.0276 419 ASN 57 N -0.0182 0.0034 -0.0177 420 ASN 57 CA -0.0215 0.0007 -0.0178 421 ASN 57 C -0.0220 0.0008 -0.0166 422 ASN 57 O -0.0236 -0.0011 -0.0182 423 ASN 57 CB -0.0241 -0.0003 -0.0151 424 ASN 57 CG -0.0250 -0.0017 -0.0170 425 ASN 57 OD1 -0.0272 -0.0042 -0.0189 426 ASN 57 ND2 -0.0232 -0.0002 -0.0167 427 ASN 57 H -0.0180 0.0043 -0.0156 428 ASN 57 HA -0.0219 -0.0007 -0.0208 429 ASN 57 HB2 -0.0231 0.0014 -0.0125 430 ASN 57 HB3 -0.0264 -0.0017 -0.0140 431 ASN 57 HD21 -0.0213 0.0018 -0.0152 432 ASN 57 HD22 -0.0237 -0.0010 -0.0180 433 LEU 58 N -0.0129 -0.0015 -0.0124 434 LEU 58 CA -0.0114 -0.0008 -0.0117 435 LEU 58 C -0.0115 0.0011 -0.0118 436 LEU 58 O -0.0107 0.0020 -0.0114 437 LEU 58 CB -0.0107 -0.0017 -0.0113 438 LEU 58 CG -0.0092 -0.0010 -0.0106 439 LEU 58 CD1 -0.0093 0.0004 -0.0107 440 LEU 58 CD2 -0.0081 -0.0006 -0.0101 441 LEU 58 H -0.0133 -0.0022 -0.0126 442 LEU 58 HA -0.0108 -0.0011 -0.0114 443 LEU 58 HB2 -0.0105 -0.0030 -0.0111 444 LEU 58 HB3 -0.0114 -0.0017 -0.0117 445 LEU 58 HG -0.0086 -0.0019 -0.0103 446 LEU 58 HD11 -0.0083 0.0009 -0.0102 447 LEU 58 HD12 -0.0099 0.0014 -0.0110 448 LEU 58 HD13 -0.0100 0.0001 -0.0110 449 LEU 58 HD21 -0.0086 0.0004 -0.0104 450 LEU 58 HD22 -0.0071 -0.0002 -0.0096 451 LEU 58 HD23 -0.0080 -0.0017 -0.0100 452 LYS 59 N -0.0185 -0.0051 -0.0113 453 LYS 59 CA -0.0218 -0.0042 -0.0066 454 LYS 59 C -0.0192 -0.0020 -0.0017 455 LYS 59 O -0.0197 -0.0008 0.0023 456 LYS 59 CB -0.0276 -0.0056 -0.0067 457 LYS 59 CG -0.0284 -0.0058 -0.0071 458 LYS 59 CD -0.0342 -0.0073 -0.0077 459 LYS 59 CE -0.0379 -0.0065 -0.0029 460 LYS 59 NZ -0.0366 -0.0047 0.0017 461 LYS 59 H -0.0198 -0.0063 -0.0141 462 LYS 59 HA -0.0217 -0.0041 -0.0064 463 LYS 59 HB2 -0.0299 -0.0049 -0.0033 464 LYS 59 HB3 -0.0292 -0.0070 -0.0101 465 LYS 59 HG2 -0.0260 -0.0064 -0.0104 466 LYS 59 HG3 -0.0271 -0.0044 -0.0036 467 LYS 59 HD2 -0.0355 -0.0087 -0.0109 468 LYS 59 HD3 -0.0345 -0.0076 -0.0084 469 LYS 59 HE2 -0.0375 -0.0062 -0.0021 470 LYS 59 HE3 -0.0419 -0.0077 -0.0038 471 LYS 59 HZ1 -0.0372 -0.0050 0.0012 472 LYS 59 HZ2 -0.0392 -0.0042 0.0048 473 LYS 59 HZ3 -0.0328 -0.0035 0.0028 474 THR 60 N -0.0244 -0.0043 -0.0065 475 THR 60 CA -0.0263 -0.0063 -0.0097 476 THR 60 C -0.0221 -0.0094 -0.0024 477 THR 60 O -0.0221 -0.0074 -0.0024 478 THR 60 CB -0.0305 -0.0142 -0.0165 479 THR 60 OG1 -0.0344 -0.0110 -0.0234 480 THR 60 CG2 -0.0326 -0.0164 -0.0200 481 THR 60 H -0.0255 -0.0084 -0.0083 482 THR 60 HA -0.0277 0.0004 -0.0124 483 THR 60 HB -0.0289 -0.0206 -0.0135 484 THR 60 HG1 -0.0333 -0.0112 -0.0215 485 THR 60 HG21 -0.0355 -0.0221 -0.0247 486 THR 60 HG22 -0.0341 -0.0099 -0.0228 487 THR 60 HG23 -0.0297 -0.0189 -0.0149 488 HIS 61 N -0.0112 -0.0048 -0.0036 489 HIS 61 CA -0.0061 -0.0047 -0.0010 490 HIS 61 C -0.0063 -0.0011 0.0031 491 HIS 61 O -0.0027 0.0002 0.0064 492 HIS 61 CB -0.0029 -0.0084 -0.0038 493 HIS 61 CG 0.0016 -0.0080 -0.0013 494 HIS 61 ND1 0.0063 -0.0078 0.0011 495 HIS 61 CD2 0.0020 -0.0075 -0.0006 496 HIS 61 CE1 0.0092 -0.0072 0.0031 497 HIS 61 NE2 0.0067 -0.0070 0.0022 498 HIS 61 H -0.0124 -0.0068 -0.0064 499 HIS 61 HA -0.0040 -0.0047 -0.0000 500 HIS 61 HB2 -0.0013 -0.0106 -0.0058 501 HIS 61 HB3 -0.0056 -0.0091 -0.0060 502 HIS 61 HD1 0.0073 -0.0080 0.0013 503 HIS 61 HD2 -0.0009 -0.0076 -0.0020 504 HIS 61 HE1 0.0130 -0.0067 0.0054 505 PHE 62 N -0.0003 -0.0004 0.0050 506 PHE 62 CA -0.0005 0.0016 0.0074 507 PHE 62 C -0.0021 0.0043 0.0106 508 PHE 62 O -0.0027 0.0061 0.0129 509 PHE 62 CB -0.0031 0.0007 0.0063 510 PHE 62 CG -0.0022 -0.0021 0.0029 511 PHE 62 CD1 0.0018 -0.0028 0.0020 512 PHE 62 CD2 -0.0054 -0.0040 0.0007 513 PHE 62 CE1 0.0027 -0.0053 -0.0011 514 PHE 62 CE2 -0.0046 -0.0065 -0.0024 515 PHE 62 CZ -0.0006 -0.0072 -0.0034 516 PHE 62 H -0.0027 -0.0016 0.0035 517 PHE 62 HA 0.0028 0.0019 0.0077 518 PHE 62 HB2 -0.0065 0.0008 0.0065 519 PHE 62 HB3 -0.0023 0.0021 0.0080 520 PHE 62 HD1 0.0044 -0.0013 0.0038 521 PHE 62 HD2 -0.0086 -0.0034 0.0014 522 PHE 62 HE1 0.0059 -0.0058 -0.0017 523 PHE 62 HE2 -0.0072 -0.0079 -0.0042 524 PHE 62 HZ -0.0002 -0.0093 -0.0059 525 ARG 63 N 0.0054 0.0048 0.0236 526 ARG 63 CA -0.0044 0.0216 0.0214 527 ARG 63 C 0.0062 0.0307 0.0270 528 ARG 63 O -0.0003 0.0444 0.0258 529 ARG 63 CB -0.0232 0.0168 0.0129 530 ARG 63 CG -0.0353 0.0118 0.0072 531 ARG 63 CD -0.0539 0.0068 -0.0013 532 ARG 63 NE -0.0627 0.0227 -0.0031 533 ARG 63 CZ -0.0801 0.0235 -0.0104 534 ARG 63 NH1 -0.0910 0.0099 -0.0166 535 ARG 63 NH2 -0.0864 0.0382 -0.0113 536 ARG 63 H 0.0017 -0.0085 0.0204 537 ARG 63 HA -0.0054 0.0324 0.0222 538 ARG 63 HB2 -0.0223 0.0045 0.0118 539 ARG 63 HB3 -0.0293 0.0292 0.0117 540 ARG 63 HG2 -0.0365 0.0243 0.0081 541 ARG 63 HG3 -0.0292 -0.0005 0.0083 542 ARG 63 HD2 -0.0620 0.0039 -0.0051 543 ARG 63 HD3 -0.0527 -0.0061 -0.0023 544 ARG 63 HE -0.0549 0.0331 0.0014 545 ARG 63 HH11 -0.0867 -0.0012 -0.0161 546 ARG 63 HH12 -0.1042 0.0102 -0.0221 547 ARG 63 HH21 -0.0784 0.0487 -0.0067 548 ARG 63 HH22 -0.0993 0.0395 -0.0166 549 SER 64 N 0.0107 0.0138 0.0313 550 SER 64 CA 0.0127 0.0181 0.0288 551 SER 64 C 0.0135 0.0154 0.0261 552 SER 64 O 0.0148 0.0122 0.0222 553 SER 64 CB 0.0149 0.0202 0.0249 554 SER 64 OG 0.0141 0.0214 0.0270 555 SER 64 H 0.0111 0.0118 0.0296 556 SER 64 HA 0.0120 0.0214 0.0315 557 SER 64 HB2 0.0158 0.0171 0.0218 558 SER 64 HB3 0.0162 0.0239 0.0235 559 SER 64 HG 0.0136 0.0248 0.0292 560 LYS 65 N 0.0216 0.0043 0.0219 561 LYS 65 CA 0.0256 -0.0027 0.0142 562 LYS 65 C 0.0139 -0.0031 0.0098 563 LYS 65 O 0.0164 -0.0051 0.0080 564 LYS 65 CB 0.0329 -0.0120 0.0044 565 LYS 65 CG 0.0254 -0.0155 -0.0027 566 LYS 65 CD 0.0116 -0.0173 -0.0096 567 LYS 65 CE 0.0047 -0.0208 -0.0163 568 LYS 65 NZ -0.0091 -0.0221 -0.0226 569 LYS 65 H 0.0222 0.0026 0.0200 570 LYS 65 HA 0.0331 -0.0005 0.0195 571 LYS 65 HB2 0.0342 -0.0168 -0.0015 572 LYS 65 HB3 0.0431 -0.0117 0.0081 573 LYS 65 HG2 0.0321 -0.0216 -0.0085 574 LYS 65 HG3 0.0236 -0.0107 0.0031 575 LYS 65 HD2 0.0047 -0.0113 -0.0040 576 LYS 65 HD3 0.0136 -0.0223 -0.0154 577 LYS 65 HE2 0.0114 -0.0270 -0.0223 578 LYS 65 HE3 0.0037 -0.0160 -0.0104 579 LYS 65 HZ1 -0.0085 -0.0266 -0.0283 580 LYS 65 HZ2 -0.0159 -0.0162 -0.0171 581 LYS 65 HZ3 -0.0133 -0.0246 -0.0272 582 ASP 66 N 0.0204 -0.0045 0.0083 583 ASP 66 CA 0.0077 -0.0036 -0.0015 584 ASP 66 C 0.0079 0.0011 0.0121 585 ASP 66 O 0.0058 -0.0007 0.0051 586 ASP 66 CB -0.0137 0.0017 -0.0067 587 ASP 66 CG -0.0267 0.0014 -0.0201 588 ASP 66 OD1 -0.0272 -0.0050 -0.0388 589 ASP 66 OD2 -0.0370 0.0075 -0.0124 590 ASP 66 H 0.0140 -0.0006 0.0131 591 ASP 66 HA 0.0141 -0.0105 -0.0151 592 ASP 66 HB2 -0.0130 -0.0010 -0.0140 593 ASP 66 HB3 -0.0205 0.0089 0.0071 594 HIS 67 N 0.0182 0.0112 0.0188 595 HIS 67 CA 0.0184 0.0094 0.0155 596 HIS 67 C 0.0170 0.0057 0.0142 597 HIS 67 O 0.0177 0.0048 0.0109 598 HIS 67 CB 0.0179 0.0091 0.0166 599 HIS 67 CG 0.0182 0.0076 0.0135 600 HIS 67 ND1 0.0197 0.0083 0.0098 601 HIS 67 CD2 0.0176 0.0066 0.0139 602 HIS 67 CE1 0.0201 0.0078 0.0081 603 HIS 67 NE2 0.0188 0.0068 0.0104 604 HIS 67 H 0.0178 0.0118 0.0212 605 HIS 67 HA 0.0200 0.0109 0.0131 606 HIS 67 HB2 0.0189 0.0116 0.0174 607 HIS 67 HB3 0.0164 0.0074 0.0188 608 HIS 67 HD1 0.0205 0.0090 0.0086 609 HIS 67 HD2 0.0162 0.0054 0.0164 610 HIS 67 HE1 0.0212 0.0081 0.0051 611 LYS 68 N 0.0305 0.0026 0.0129 612 LYS 68 CA 0.0310 0.0034 0.0131 613 LYS 68 C 0.0347 0.0081 0.0144 614 LYS 68 O 0.0375 0.0083 0.0150 615 LYS 68 CB 0.0255 0.0042 0.0119 616 LYS 68 CG 0.0216 -0.0005 0.0106 617 LYS 68 CD 0.0160 0.0006 0.0095 618 LYS 68 CE 0.0135 0.0060 0.0095 619 LYS 68 NZ 0.0080 0.0070 0.0083 620 LYS 68 H 0.0271 0.0036 0.0122 621 LYS 68 HA 0.0328 -0.0003 0.0131 622 LYS 68 HB2 0.0239 0.0081 0.0120 623 LYS 68 HB3 0.0257 0.0044 0.0120 624 LYS 68 HG2 0.0232 -0.0046 0.0105 625 LYS 68 HG3 0.0213 -0.0007 0.0105 626 LYS 68 HD2 0.0163 0.0011 0.0096 627 LYS 68 HD3 0.0134 -0.0027 0.0085 628 LYS 68 HE2 0.0135 0.0057 0.0094 629 LYS 68 HE3 0.0160 0.0094 0.0103 630 LYS 68 HZ1 0.0078 0.0073 0.0083 631 LYS 68 HZ2 0.0063 0.0105 0.0083 632 LYS 68 HZ3 0.0056 0.0037 0.0075 633 LYS 69 N 0.0507 -0.0040 0.0260 634 LYS 69 CA 0.0445 -0.0128 0.0060 635 LYS 69 C 0.0266 -0.0088 0.0172 636 LYS 69 O 0.0323 -0.0107 0.0120 637 LYS 69 CB 0.0283 -0.0221 -0.0140 638 LYS 69 CG 0.0122 -0.0310 -0.0332 639 LYS 69 CD -0.0047 -0.0383 -0.0487 640 LYS 69 CE -0.0239 -0.0475 -0.0682 641 LYS 69 NZ -0.0401 -0.0537 -0.0810 642 LYS 69 H 0.0450 -0.0054 0.0233 643 LYS 69 HA 0.0636 -0.0157 -0.0027 644 LYS 69 HB2 0.0429 -0.0261 -0.0249 645 LYS 69 HB3 0.0137 -0.0183 -0.0038 646 LYS 69 HG2 -0.0012 -0.0266 -0.0217 647 LYS 69 HG3 0.0264 -0.0356 -0.0455 648 LYS 69 HD2 0.0101 -0.0421 -0.0591 649 LYS 69 HD3 -0.0169 -0.0332 -0.0354 650 LYS 69 HE2 -0.0380 -0.0439 -0.0584 651 LYS 69 HE3 -0.0115 -0.0531 -0.0826 652 LYS 69 HZ1 -0.0544 -0.0600 -0.0943 653 LYS 69 HZ2 -0.0514 -0.0482 -0.0670 654 LYS 69 HZ3 -0.0266 -0.0570 -0.0901 655 ARG 70 N 0.0211 -0.0090 0.0115 656 ARG 70 CA 0.0191 -0.0076 0.0099 657 ARG 70 C 0.0165 -0.0062 0.0081 658 ARG 70 O 0.0136 -0.0061 0.0071 659 ARG 70 CB 0.0214 -0.0054 0.0089 660 ARG 70 CG 0.0194 -0.0042 0.0074 661 ARG 70 CD 0.0176 -0.0065 0.0086 662 ARG 70 NE 0.0155 -0.0054 0.0072 663 ARG 70 CZ 0.0127 -0.0068 0.0074 664 ARG 70 NH1 0.0114 -0.0095 0.0091 665 ARG 70 NH2 0.0110 -0.0056 0.0060 666 ARG 70 H 0.0236 -0.0081 0.0116 667 ARG 70 HA 0.0177 -0.0093 0.0108 668 ARG 70 HB2 0.0234 -0.0064 0.0102 669 ARG 70 HB3 0.0225 -0.0037 0.0079 670 ARG 70 HG2 0.0212 -0.0027 0.0068 671 ARG 70 HG3 0.0175 -0.0030 0.0060 672 ARG 70 HD2 0.0158 -0.0080 0.0093 673 ARG 70 HD3 0.0194 -0.0076 0.0100 674 ARG 70 HE 0.0164 -0.0034 0.0059 675 ARG 70 HH11 0.0126 -0.0105 0.0102 676 ARG 70 HH12 0.0093 -0.0106 0.0093 677 ARG 70 HH21 0.0119 -0.0036 0.0048 678 ARG 70 HH22 0.0089 -0.0066 0.0061 679 LEU 71 N 0.0242 0.0025 0.0069 680 LEU 71 CA 0.0219 0.0028 0.0047 681 LEU 71 C 0.0187 -0.0000 0.0051 682 LEU 71 O 0.0160 0.0000 0.0029 683 LEU 71 CB 0.0235 0.0036 0.0052 684 LEU 71 CG 0.0268 0.0064 0.0048 685 LEU 71 CD1 0.0280 0.0070 0.0052 686 LEU 71 CD2 0.0266 0.0090 0.0018 687 LEU 71 H 0.0262 0.0025 0.0086 688 LEU 71 HA 0.0215 0.0046 0.0024 689 LEU 71 HB2 0.0239 0.0018 0.0075 690 LEU 71 HB3 0.0217 0.0037 0.0035 691 LEU 71 HG 0.0287 0.0061 0.0067 692 LEU 71 HD11 0.0261 0.0072 0.0033 693 LEU 71 HD12 0.0282 0.0051 0.0074 694 LEU 71 HD13 0.0303 0.0089 0.0050 695 LEU 71 HD21 0.0260 0.0087 0.0017 696 LEU 71 HD22 0.0247 0.0093 -0.0001 697 LEU 71 HD23 0.0290 0.0110 0.0017 698 LYS 72 N 0.0240 -0.0056 0.0024 699 LYS 72 CA 0.0146 -0.0133 0.0059 700 LYS 72 C 0.0068 -0.0156 0.0049 701 LYS 72 O -0.0037 -0.0177 0.0027 702 LYS 72 CB 0.0192 -0.0214 0.0153 703 LYS 72 CG 0.0101 -0.0299 0.0196 704 LYS 72 CD 0.0155 -0.0373 0.0287 705 LYS 72 CE 0.0064 -0.0458 0.0330 706 LYS 72 NZ 0.0115 -0.0530 0.0418 707 LYS 72 H 0.0319 -0.0063 0.0062 708 LYS 72 HA 0.0097 -0.0117 0.0024 709 LYS 72 HB2 0.0248 -0.0196 0.0159 710 LYS 72 HB3 0.0242 -0.0229 0.0187 711 LYS 72 HG2 0.0050 -0.0321 0.0197 712 LYS 72 HG3 0.0048 -0.0285 0.0161 713 LYS 72 HD2 0.0207 -0.0351 0.0287 714 LYS 72 HD3 0.0207 -0.0388 0.0322 715 LYS 72 HE2 0.0014 -0.0482 0.0332 716 LYS 72 HE3 0.0009 -0.0442 0.0293 717 LYS 72 HZ1 0.0167 -0.0547 0.0455 718 LYS 72 HZ2 0.0163 -0.0509 0.0418 719 LYS 72 HZ3 0.0051 -0.0587 0.0446 720 GLN 73 N 0.0049 -0.0167 0.0109 721 GLN 73 CA -0.0006 -0.0183 0.0106 722 GLN 73 C -0.0054 -0.0127 0.0058 723 GLN 73 O -0.0123 -0.0139 0.0049 724 GLN 73 CB 0.0037 -0.0197 0.0126 725 GLN 73 CG 0.0083 -0.0256 0.0175 726 GLN 73 CD 0.0128 -0.0266 0.0193 727 GLN 73 OE1 0.0152 -0.0219 0.0168 728 GLN 73 NE2 0.0139 -0.0328 0.0234 729 GLN 73 H 0.0104 -0.0159 0.0118 730 GLN 73 HA -0.0043 -0.0228 0.0125 731 GLN 73 HB2 0.0076 -0.0153 0.0108 732 GLN 73 HB3 -0.0004 -0.0208 0.0123 733 GLN 73 HG2 0.0045 -0.0301 0.0194 734 GLN 73 HG3 0.0124 -0.0246 0.0179 735 GLN 73 HE21 0.0119 -0.0363 0.0252 736 GLN 73 HE22 0.0168 -0.0337 0.0248 737 LEU 74 N -0.0053 -0.0111 -0.0003 738 LEU 74 CA -0.0103 -0.0028 -0.0092 739 LEU 74 C -0.0182 -0.0024 -0.0133 740 LEU 74 O -0.0248 0.0029 -0.0206 741 LEU 74 CB -0.0010 0.0069 -0.0121 742 LEU 74 CG -0.0047 0.0165 -0.0213 743 LEU 74 CD1 -0.0117 0.0154 -0.0239 744 LEU 74 CD2 0.0056 0.0254 -0.0232 745 LEU 74 H 0.0025 -0.0098 0.0026 746 LEU 74 HA -0.0154 -0.0039 -0.0108 747 LEU 74 HB2 0.0048 0.0060 -0.0085 748 LEU 74 HB3 0.0032 0.0077 -0.0106 749 LEU 74 HG -0.0100 0.0177 -0.0248 750 LEU 74 HD11 -0.0140 0.0223 -0.0303 751 LEU 74 HD12 -0.0067 0.0140 -0.0203 752 LEU 74 HD13 -0.0192 0.0094 -0.0229 753 LEU 74 HD21 0.0109 0.0243 -0.0197 754 LEU 74 HD22 0.0028 0.0321 -0.0296 755 LEU 74 HD23 0.0102 0.0263 -0.0215 756 SER 75 N -0.0150 -0.0048 -0.0072 757 SER 75 CA -0.0246 -0.0065 -0.0111 758 SER 75 C -0.0150 0.0151 -0.0170 759 SER 75 O -0.0250 0.0203 -0.0243 760 SER 75 CB -0.0514 -0.0121 -0.0213 761 SER 75 OG -0.0611 -0.0153 -0.0245 762 SER 75 H -0.0029 -0.0133 0.0028 763 SER 75 HA -0.0184 -0.0204 -0.0013 764 SER 75 HB2 -0.0570 -0.0275 -0.0165 765 SER 75 HB3 -0.0575 0.0018 -0.0311 766 SER 75 HG -0.0731 -0.0287 -0.0238 767 VAL 76 N 0.0034 0.0100 -0.0068 768 VAL 76 CA 0.0067 0.0157 -0.0082 769 VAL 76 C 0.0088 0.0150 -0.0073 770 VAL 76 O 0.0069 0.0181 -0.0092 771 VAL 76 CB 0.0125 0.0179 -0.0074 772 VAL 76 CG1 0.0160 0.0238 -0.0089 773 VAL 76 CG2 0.0106 0.0188 -0.0083 774 VAL 76 H 0.0052 0.0079 -0.0054 775 VAL 76 HA 0.0034 0.0191 -0.0107 776 VAL 76 HB 0.0156 0.0144 -0.0050 777 VAL 76 HG11 0.0200 0.0253 -0.0082 778 VAL 76 HG12 0.0128 0.0273 -0.0113 779 VAL 76 HG13 0.0175 0.0231 -0.0081 780 VAL 76 HG21 0.0147 0.0203 -0.0077 781 VAL 76 HG22 0.0084 0.0145 -0.0072 782 VAL 76 HG23 0.0073 0.0222 -0.0108 783 GLU 77 N 0.0223 0.0017 0.0026 784 GLU 77 CA 0.0221 0.0013 0.0029 785 GLU 77 C 0.0220 0.0012 0.0033 786 GLU 77 O 0.0221 0.0014 0.0037 787 GLU 77 CB 0.0221 0.0015 0.0032 788 GLU 77 CG 0.0224 0.0019 0.0035 789 GLU 77 CD 0.0225 0.0020 0.0038 790 GLU 77 OE1 0.0225 0.0021 0.0035 791 GLU 77 OE2 0.0224 0.0019 0.0043 792 GLU 77 H 0.0224 0.0019 0.0028 793 GLU 77 HA 0.0219 0.0011 0.0027 794 GLU 77 HB2 0.0220 0.0012 0.0035 795 GLU 77 HB3 0.0222 0.0015 0.0029 796 GLU 77 HG2 0.0226 0.0022 0.0032 797 GLU 77 HG3 0.0224 0.0019 0.0038 798 PRO 78 N 0.0209 -0.0062 0.0053 799 PRO 78 CA 0.0209 -0.0115 0.0080 800 PRO 78 C 0.0243 -0.0125 0.0107 801 PRO 78 O 0.0240 -0.0112 0.0098 802 PRO 78 CB 0.0158 -0.0142 0.0061 803 PRO 78 CG 0.0130 -0.0104 0.0024 804 PRO 78 CD 0.0164 -0.0054 0.0020 805 PRO 78 HA 0.0218 -0.0127 0.0092 806 PRO 78 HB2 0.0157 -0.0153 0.0066 807 PRO 78 HB3 0.0145 -0.0174 0.0069 808 PRO 78 HG2 0.0101 -0.0110 0.0008 809 PRO 78 HG3 0.0118 -0.0105 0.0016 810 PRO 78 HD2 0.0164 -0.0045 0.0016 811 PRO 78 HD3 0.0155 -0.0025 -0.0001 812 TYR 79 N 0.0223 -0.0045 0.0156 813 TYR 79 CA 0.0176 -0.0033 0.0114 814 TYR 79 C 0.0204 -0.0074 0.0030 815 TYR 79 O 0.0176 -0.0081 -0.0037 816 TYR 79 CB 0.0087 0.0012 0.0106 817 TYR 79 CG 0.0057 0.0055 0.0191 818 TYR 79 CD1 0.0055 0.0069 0.0230 819 TYR 79 CD2 0.0033 0.0081 0.0231 820 TYR 79 CE1 0.0029 0.0108 0.0307 821 TYR 79 CE2 0.0007 0.0120 0.0309 822 TYR 79 CZ 0.0005 0.0133 0.0347 823 TYR 79 OH -0.0021 0.0172 0.0425 824 TYR 79 H 0.0260 -0.0048 0.0207 825 TYR 79 HA 0.0192 -0.0028 0.0155 826 TYR 79 HB2 0.0072 0.0009 0.0070 827 TYR 79 HB3 0.0058 0.0017 0.0072 828 TYR 79 HD1 0.0073 0.0049 0.0199 829 TYR 79 HD2 0.0035 0.0070 0.0201 830 TYR 79 HE1 0.0027 0.0118 0.0337 831 TYR 79 HE2 -0.0011 0.0139 0.0340 832 TYR 79 HH 0.0007 0.0168 0.0460 833 SER 80 N 0.0207 -0.0012 0.0084 834 SER 80 CA 0.0204 -0.0034 0.0072 835 SER 80 C 0.0157 -0.0028 0.0085 836 SER 80 O 0.0125 -0.0014 0.0100 837 SER 80 CB 0.0245 -0.0016 0.0074 838 SER 80 OG 0.0246 -0.0038 0.0060 839 SER 80 H 0.0214 0.0017 0.0100 840 SER 80 HA 0.0207 -0.0065 0.0052 841 SER 80 HB2 0.0277 -0.0018 0.0066 842 SER 80 HB3 0.0241 0.0015 0.0093 843 SER 80 HG 0.0261 -0.0062 0.0042 844 GLN 81 N -0.0021 0.0005 0.0062 845 GLN 81 CA -0.0091 0.0008 0.0063 846 GLN 81 C -0.0111 0.0077 0.0060 847 GLN 81 O -0.0077 0.0113 0.0059 848 GLN 81 CB -0.0120 -0.0038 0.0064 849 GLN 81 CG -0.0193 -0.0043 0.0065 850 GLN 81 CD -0.0224 -0.0083 0.0067 851 GLN 81 OE1 -0.0202 -0.0086 0.0067 852 GLN 81 NE2 -0.0276 -0.0114 0.0069 853 GLN 81 H 0.0003 -0.0017 0.0062 854 GLN 81 HA -0.0107 -0.0006 0.0063 855 GLN 81 HB2 -0.0099 -0.0085 0.0066 856 GLN 81 HB3 -0.0109 -0.0020 0.0064 857 GLN 81 HG2 -0.0213 0.0005 0.0064 858 GLN 81 HG3 -0.0204 -0.0064 0.0066 859 GLN 81 HE21 -0.0291 -0.0110 0.0069 860 GLN 81 HE22 -0.0299 -0.0140 0.0070 861 GLU 82 N -0.0102 0.0010 0.0029 862 GLU 82 CA -0.0115 0.0042 0.0032 863 GLU 82 C -0.0097 0.0048 0.0019 864 GLU 82 O -0.0104 0.0073 0.0019 865 GLU 82 CB -0.0119 0.0076 0.0029 866 GLU 82 CG -0.0134 0.0111 0.0033 867 GLU 82 CD -0.0138 0.0141 0.0030 868 GLU 82 OE1 -0.0116 0.0157 0.0012 869 GLU 82 OE2 -0.0165 0.0150 0.0046 870 GLU 82 H -0.0112 -0.0013 0.0040 871 GLU 82 HA -0.0138 0.0036 0.0048 872 GLU 82 HB2 -0.0134 0.0070 0.0040 873 GLU 82 HB3 -0.0097 0.0081 0.0013 874 GLU 82 HG2 -0.0119 0.0119 0.0021 875 GLU 82 HG3 -0.0156 0.0106 0.0048 876 GLU 83 N -0.0052 0.0003 0.0078 877 GLU 83 CA -0.0050 0.0035 0.0096 878 GLU 83 C -0.0075 0.0023 0.0082 879 GLU 83 O -0.0110 0.0046 0.0085 880 GLU 83 CB 0.0002 0.0040 0.0114 881 GLU 83 CG 0.0008 0.0073 0.0134 882 GLU 83 CD 0.0059 0.0080 0.0153 883 GLU 83 OE1 0.0087 0.0054 0.0146 884 GLU 83 OE2 0.0071 0.0113 0.0175 885 GLU 83 H -0.0042 -0.0027 0.0063 886 GLU 83 HA -0.0068 0.0065 0.0108 887 GLU 83 HB2 0.0017 0.0050 0.0124 888 GLU 83 HB3 0.0020 0.0010 0.0102 889 GLU 83 HG2 -0.0003 0.0061 0.0125 890 GLU 83 HG3 -0.0013 0.0103 0.0145 891 ALA 84 N -0.0086 0.0045 0.0077 892 ALA 84 CA -0.0117 0.0038 0.0055 893 ALA 84 C -0.0141 0.0013 0.0018 894 ALA 84 O -0.0159 -0.0004 -0.0009 895 ALA 84 CB -0.0092 0.0025 0.0053 896 ALA 84 H -0.0055 0.0028 0.0073 897 ALA 84 HA -0.0144 0.0062 0.0069 898 ALA 84 HB1 -0.0115 0.0019 0.0036 899 ALA 84 HB2 -0.0064 0.0001 0.0041 900 ALA 84 HB3 -0.0078 0.0044 0.0080 901 GLU 85 N -0.0128 0.0068 0.0021 902 GLU 85 CA -0.0126 0.0065 0.0006 903 GLU 85 C -0.0125 0.0051 -0.0005 904 GLU 85 O -0.0127 0.0035 -0.0002 905 GLU 85 CB -0.0127 0.0058 0.0013 906 GLU 85 CG -0.0125 0.0058 -0.0001 907 GLU 85 CD -0.0124 0.0044 -0.0016 908 GLU 85 OE1 -0.0125 0.0028 -0.0013 909 GLU 85 OE2 -0.0121 0.0048 -0.0030 910 GLU 85 H -0.0129 0.0060 0.0021 911 GLU 85 HA -0.0123 0.0078 -0.0001 912 GLU 85 HB2 -0.0129 0.0066 0.0024 913 GLU 85 HB3 -0.0129 0.0044 0.0017 914 GLU 85 HG2 -0.0123 0.0071 -0.0007 915 GLU 85 HG3 -0.0126 0.0058 0.0006 916 ARG 86 N -0.0139 0.0071 0.0038 917 ARG 86 CA -0.0184 0.0085 -0.0013 918 ARG 86 C -0.0166 0.0084 0.0046 919 ARG 86 O -0.0090 0.0056 0.0099 920 ARG 86 CB -0.0158 0.0060 -0.0133 921 ARG 86 CG -0.0049 0.0009 -0.0156 922 ARG 86 CD 0.0020 -0.0017 -0.0108 923 ARG 86 NE 0.0122 -0.0064 -0.0124 924 ARG 86 CZ 0.0201 -0.0094 -0.0076 925 ARG 86 NH1 0.0192 -0.0082 -0.0009 926 ARG 86 NH2 0.0289 -0.0135 -0.0094 927 ARG 86 H -0.0069 0.0042 0.0055 928 ARG 86 HA -0.0262 0.0120 -0.0013 929 ARG 86 HB2 -0.0177 0.0065 -0.0162 930 ARG 86 HB3 -0.0201 0.0074 -0.0177 931 ARG 86 HG2 -0.0042 -0.0004 -0.0241 932 ARG 86 HG3 -0.0028 0.0003 -0.0125 933 ARG 86 HD2 0.0010 -0.0002 -0.0023 934 ARG 86 HD3 0.0004 -0.0014 -0.0145 935 ARG 86 HE 0.0131 -0.0074 -0.0176 936 ARG 86 HH11 0.0127 -0.0051 0.0009 937 ARG 86 HH12 0.0250 -0.0104 0.0028 938 ARG 86 HH21 0.0299 -0.0145 -0.0145 939 ARG 86 HH22 0.0350 -0.0158 -0.0059 940 ALA 87 N -0.0028 0.0033 -0.0106 941 ALA 87 CA 0.0109 0.0025 -0.0208 942 ALA 87 C 0.0138 -0.0083 -0.0159 943 ALA 87 O 0.0259 -0.0171 -0.0197 944 ALA 87 CB 0.0226 -0.0034 -0.0261 945 ALA 87 H -0.0029 -0.0053 -0.0048 946 ALA 87 HA 0.0104 0.0137 -0.0278 947 ALA 87 HB1 0.0229 -0.0145 -0.0190 948 ALA 87 HB2 0.0204 0.0044 -0.0295 949 ALA 87 HB3 0.0328 -0.0043 -0.0335 950 ALA 88 N 0.0133 -0.0023 -0.0137 951 ALA 88 CA 0.0125 -0.0074 -0.0067 952 ALA 88 C 0.0052 -0.0041 -0.0068 953 ALA 88 O -0.0034 -0.0032 -0.0030 954 ALA 88 CB 0.0098 -0.0125 0.0013 955 ALA 88 H 0.0074 0.0013 -0.0149 956 ALA 88 HA 0.0194 -0.0101 -0.0072 957 ALA 88 HB1 0.0029 -0.0099 0.0020 958 ALA 88 HB2 0.0152 -0.0148 0.0012 959 ALA 88 HB3 0.0095 -0.0164 0.0064 960 GLY 89 N 0.0097 -0.0086 0.0014 961 GLY 89 CA -0.0590 0.0026 0.0015 962 GLY 89 C -0.0271 0.0046 -0.0161 963 GLY 89 O 0.0244 -0.0213 0.0268 964 GLY 89 H 0.0652 -0.0073 -0.0239 965 GLY 89 HA2 -0.0923 -0.0155 0.0592 966 GLY 89 HA3 -0.1015 0.0277 -0.0431 967 MET 90 N 0.0155 -0.0008 -0.0091 968 MET 90 CA 0.0092 -0.0024 -0.0043 969 MET 90 C 0.0066 0.0005 -0.0026 970 MET 90 O 0.0047 0.0070 -0.0017 971 MET 90 CB 0.0057 0.0006 -0.0019 972 MET 90 CG -0.0007 -0.0021 0.0031 973 MET 90 SD -0.0058 0.0005 0.0067 974 MET 90 CE -0.0125 -0.0029 0.0120 975 MET 90 H 0.0183 -0.0049 -0.0110 976 MET 90 HA 0.0091 -0.0083 -0.0038 977 MET 90 HB2 0.0081 -0.0010 -0.0036 978 MET 90 HB3 0.0054 0.0065 -0.0022 979 MET 90 HG2 -0.0005 -0.0080 0.0033 980 MET 90 HG3 -0.0025 0.0001 0.0042 981 MET 90 HE1 -0.0120 -0.0088 0.0120 982 MET 90 HE2 -0.0161 -0.0017 0.0145 983 MET 90 HE3 -0.0136 -0.0003 0.0126 984 GLY 91 N 0.0070 -0.0022 0.0004 985 GLY 91 CA 0.0114 0.0021 -0.0084 986 GLY 91 C 0.0121 -0.0044 0.0014 987 GLY 91 O 0.0255 -0.0092 0.0023 988 GLY 91 H 0.0142 -0.0091 0.0075 989 GLY 91 HA2 0.0020 0.0095 -0.0155 990 GLY 91 HA3 0.0235 0.0027 -0.0151 991 SER 92 N -0.0246 -0.0266 0.0483 992 SER 92 CA -0.0205 -0.0098 0.0219 993 SER 92 C 0.0066 -0.0269 0.0328 994 SER 92 O 0.0439 -0.0419 0.0353 995 SER 92 CB -0.0017 0.0101 -0.0162 996 SER 92 OG -0.0279 0.0258 -0.0255 997 SER 92 H 0.0011 -0.0378 0.0513 998 SER 92 HA -0.0519 0.0018 0.0214 999 SER 92 HB2 0.0297 -0.0011 -0.0160 1000 SER 92 HB3 -0.0002 0.0237 -0.0365 1001 SER 92 HG -0.0474 0.0170 -0.0029 1002 TYR 93 N 0.0019 0.0037 -0.0082 1003 TYR 93 CA 0.0010 0.0042 -0.0036 1004 TYR 93 C 0.0009 0.0002 0.0018 1005 TYR 93 O 0.0019 -0.0036 0.0011 1006 TYR 93 CB 0.0019 0.0019 -0.0062 1007 TYR 93 CG 0.0010 0.0029 -0.0023 1008 TYR 93 CD1 -0.0000 0.0081 -0.0028 1009 TYR 93 CD2 0.0013 -0.0015 0.0019 1010 TYR 93 CE1 -0.0008 0.0091 0.0007 1011 TYR 93 CE2 0.0005 -0.0005 0.0055 1012 TYR 93 CZ -0.0006 0.0048 0.0049 1013 TYR 93 OH -0.0014 0.0057 0.0084 1014 TYR 93 H 0.0030 -0.0002 -0.0100 1015 TYR 93 HA -0.0002 0.0088 -0.0024 1016 TYR 93 HB2 0.0022 0.0041 -0.0105 1017 TYR 93 HB3 0.0031 -0.0029 -0.0069 1018 TYR 93 HD1 -0.0002 0.0115 -0.0061 1019 TYR 93 HD2 0.0021 -0.0056 0.0024 1020 TYR 93 HE1 -0.0017 0.0133 0.0002 1021 TYR 93 HE2 0.0007 -0.0039 0.0087 1022 TYR 93 HH -0.0019 0.0048 0.0125 1023 VAL 94 N -0.0026 0.0039 -0.0087 1024 VAL 94 CA 0.0005 0.0031 -0.0043 1025 VAL 94 C 0.0041 -0.0008 -0.0050 1026 VAL 94 O 0.0057 -0.0036 -0.0073 1027 VAL 94 CB 0.0011 0.0039 -0.0018 1028 VAL 94 CG1 0.0017 0.0017 -0.0048 1029 VAL 94 CG2 0.0043 0.0032 0.0028 1030 VAL 94 H -0.0039 0.0045 -0.0099 1031 VAL 94 HA -0.0002 0.0050 -0.0022 1032 VAL 94 HB -0.0015 0.0068 -0.0010 1033 VAL 94 HG11 0.0021 0.0023 -0.0029 1034 VAL 94 HG12 0.0042 -0.0012 -0.0057 1035 VAL 94 HG13 -0.0007 0.0024 -0.0079 1036 VAL 94 HG21 0.0068 0.0003 0.0022 1037 VAL 94 HG22 0.0046 0.0037 0.0045 1038 VAL 94 HG23 0.0036 0.0050 0.0051