1 ASP 28 N 0.0521 -0.0001 0.0177 2 ASP 28 CA 0.0395 -0.0056 0.0121 3 ASP 28 C 0.0311 -0.0015 0.0074 4 ASP 28 O 0.0314 0.0106 0.0063 5 ASP 28 CB 0.0349 -0.0002 0.0092 6 ASP 28 CG 0.0220 -0.0055 0.0034 7 ASP 28 OD1 0.0202 -0.0181 0.0039 8 ASP 28 OD2 0.0138 0.0027 -0.0016 9 ASP 28 H 0.0581 -0.0025 0.0209 10 ASP 28 HA 0.0398 -0.0166 0.0134 11 ASP 28 HB2 0.0410 -0.0033 0.0126 12 ASP 28 HB3 0.0350 0.0109 0.0080 13 PRO 29 N 0.0379 0.0017 0.0117 14 PRO 29 CA 0.0297 0.0109 0.0006 15 PRO 29 C 0.0233 0.0171 -0.0085 16 PRO 29 O 0.0221 0.0080 -0.0130 17 PRO 29 CB 0.0263 -0.0012 -0.0084 18 PRO 29 CG 0.0339 -0.0148 0.0006 19 PRO 29 CD 0.0398 -0.0153 0.0103 20 PRO 29 HA 0.0307 0.0210 0.0048 21 PRO 29 HB2 0.0212 -0.0049 -0.0179 22 PRO 29 HB3 0.0237 0.0047 -0.0112 23 PRO 29 HG2 0.0318 -0.0260 -0.0060 24 PRO 29 HG3 0.0372 -0.0125 0.0066 25 PRO 29 HD2 0.0384 -0.0234 0.0057 26 PRO 29 HD3 0.0465 -0.0191 0.0203 27 ASN 30 N 0.0147 0.0133 -0.0026 28 ASN 30 CA 0.0165 0.0099 0.0051 29 ASN 30 C 0.0159 0.0145 0.0026 30 ASN 30 O 0.0171 0.0228 0.0070 31 ASN 30 CB 0.0191 0.0126 0.0163 32 ASN 30 CG 0.0212 0.0097 0.0251 33 ASN 30 OD1 0.0221 0.0006 0.0292 34 ASN 30 ND2 0.0220 0.0172 0.0283 35 ASN 30 H 0.0139 0.0076 -0.0058 36 ASN 30 HA 0.0162 0.0012 0.0044 37 ASN 30 HB2 0.0194 0.0082 0.0177 38 ASN 30 HB3 0.0192 0.0212 0.0160 39 ASN 30 HD21 0.0213 0.0244 0.0248 40 ASN 30 HD22 0.0233 0.0154 0.0338 41 ALA 31 N 0.0165 0.0197 -0.0067 42 ALA 31 CA 0.0154 0.0201 -0.0090 43 ALA 31 C 0.0129 0.0129 -0.0141 44 ALA 31 O 0.0095 0.0133 -0.0210 45 ALA 31 CB 0.0133 0.0284 -0.0129 46 ALA 31 H 0.0152 0.0158 -0.0093 47 ALA 31 HA 0.0178 0.0198 -0.0040 48 ALA 31 HB1 0.0126 0.0287 -0.0143 49 ALA 31 HB2 0.0109 0.0289 -0.0179 50 ALA 31 HB3 0.0151 0.0336 -0.0092 51 GLU 32 N 0.0035 -0.0148 -0.0113 52 GLU 32 CA -0.0013 -0.0274 -0.0174 53 GLU 32 C 0.0007 -0.0198 -0.0177 54 GLU 32 O -0.0028 -0.0261 -0.0258 55 GLU 32 CB -0.0031 -0.0436 -0.0056 56 GLU 32 CG 0.0017 -0.0413 0.0133 57 GLU 32 CD -0.0005 -0.0581 0.0240 58 GLU 32 OE1 -0.0028 -0.0671 0.0248 59 GLU 32 OE2 -0.0001 -0.0627 0.0316 60 GLU 32 H 0.0058 -0.0162 0.0010 61 GLU 32 HA -0.0049 -0.0301 -0.0302 62 GLU 32 HB2 -0.0067 -0.0527 -0.0108 63 GLU 32 HB3 -0.0045 -0.0485 -0.0059 64 GLU 32 HG2 0.0053 -0.0326 0.0189 65 GLU 32 HG3 0.0032 -0.0360 0.0136 66 PHE 33 N 0.0009 -0.0015 -0.0111 67 PHE 33 CA 0.0013 -0.0004 -0.0108 68 PHE 33 C 0.0004 0.0059 -0.0141 69 PHE 33 O -0.0001 0.0097 -0.0159 70 PHE 33 CB 0.0056 -0.0002 -0.0049 71 PHE 33 CG 0.0086 0.0045 -0.0020 72 PHE 33 CD1 0.0097 0.0110 -0.0025 73 PHE 33 CD2 0.0103 0.0024 0.0010 74 PHE 33 CE1 0.0124 0.0153 0.0000 75 PHE 33 CE2 0.0130 0.0067 0.0035 76 PHE 33 CZ 0.0141 0.0131 0.0030 77 PHE 33 H 0.0028 0.0009 -0.0091 78 PHE 33 HA -0.0006 -0.0043 -0.0123 79 PHE 33 HB2 0.0060 0.0012 -0.0047 80 PHE 33 HB3 0.0061 -0.0050 -0.0027 81 PHE 33 HD1 0.0084 0.0126 -0.0048 82 PHE 33 HD2 0.0095 -0.0026 0.0014 83 PHE 33 HE1 0.0132 0.0203 -0.0004 84 PHE 33 HE2 0.0143 0.0050 0.0059 85 PHE 33 HZ 0.0162 0.0165 0.0050 86 ASP 34 N -0.0008 0.0066 -0.0114 87 ASP 34 CA -0.0013 0.0037 -0.0099 88 ASP 34 C 0.0010 0.0002 -0.0128 89 ASP 34 O 0.0023 -0.0018 -0.0144 90 ASP 34 CB -0.0034 0.0014 -0.0059 91 ASP 34 CG -0.0042 -0.0012 -0.0039 92 ASP 34 OD1 -0.0029 -0.0049 -0.0051 93 ASP 34 OD2 -0.0061 0.0004 -0.0011 94 ASP 34 H -0.0007 0.0053 -0.0113 95 ASP 34 HA -0.0018 0.0058 -0.0095 96 ASP 34 HB2 -0.0049 0.0039 -0.0040 97 ASP 34 HB3 -0.0027 -0.0010 -0.0063 98 PRO 35 N 0.0071 0.0071 -0.0155 99 PRO 35 CA 0.0127 0.0037 -0.0183 100 PRO 35 C 0.0106 -0.0039 -0.0167 101 PRO 35 O 0.0149 -0.0071 -0.0188 102 PRO 35 CB 0.0141 0.0107 -0.0195 103 PRO 35 CG 0.0069 0.0147 -0.0158 104 PRO 35 CD 0.0032 0.0140 -0.0138 105 PRO 35 HA 0.0175 0.0023 -0.0208 106 PRO 35 HB2 0.0162 0.0083 -0.0204 107 PRO 35 HB3 0.0178 0.0148 -0.0217 108 PRO 35 HG2 0.0039 0.0116 -0.0140 109 PRO 35 HG3 0.0074 0.0210 -0.0165 110 PRO 35 HD2 -0.0024 0.0126 -0.0107 111 PRO 35 HD3 0.0037 0.0195 -0.0144 112 ASP 36 N 0.0010 -0.0206 -0.0137 113 ASP 36 CA 0.0005 -0.0353 -0.0079 114 ASP 36 C 0.0006 -0.0347 -0.0082 115 ASP 36 O 0.0013 -0.0466 -0.0107 116 ASP 36 CB -0.0020 -0.0387 0.0084 117 ASP 36 CG -0.0026 -0.0535 0.0152 118 ASP 36 OD1 -0.0014 -0.0662 0.0106 119 ASP 36 OD2 -0.0042 -0.0525 0.0255 120 ASP 36 H -0.0004 -0.0114 -0.0069 121 ASP 36 HA 0.0020 -0.0444 -0.0154 122 ASP 36 HB2 -0.0019 -0.0397 0.0080 123 ASP 36 HB3 -0.0034 -0.0290 0.0157 124 LEU 37 N -0.0001 -0.0163 -0.0045 125 LEU 37 CA -0.0002 -0.0136 -0.0037 126 LEU 37 C -0.0011 -0.0114 -0.0101 127 LEU 37 O -0.0018 -0.0083 -0.0140 128 LEU 37 CB -0.0002 -0.0080 0.0012 129 LEU 37 CG 0.0008 -0.0097 0.0085 130 LEU 37 CD1 0.0014 -0.0142 0.0105 131 LEU 37 CD2 0.0012 -0.0126 0.0101 132 LEU 37 H -0.0003 -0.0135 -0.0043 133 LEU 37 HA 0.0003 -0.0174 -0.0019 134 LEU 37 HB2 -0.0006 -0.0048 -0.0000 135 LEU 37 HB3 -0.0005 -0.0053 0.0005 136 LEU 37 HG 0.0007 -0.0053 0.0112 137 LEU 37 HD11 0.0020 -0.0153 0.0156 138 LEU 37 HD12 0.0015 -0.0187 0.0078 139 LEU 37 HD13 0.0011 -0.0119 0.0097 140 LEU 37 HD21 0.0019 -0.0138 0.0151 141 LEU 37 HD22 0.0008 -0.0092 0.0089 142 LEU 37 HD23 0.0013 -0.0170 0.0072 143 PRO 38 N -0.0039 -0.0061 -0.0067 144 PRO 38 CA -0.0062 -0.0042 -0.0098 145 PRO 38 C -0.0072 0.0002 -0.0100 146 PRO 38 O -0.0060 0.0028 -0.0072 147 PRO 38 CB -0.0057 -0.0040 -0.0090 148 PRO 38 CG -0.0035 -0.0072 -0.0064 149 PRO 38 CD -0.0021 -0.0073 -0.0041 150 PRO 38 HA -0.0074 -0.0061 -0.0123 151 PRO 38 HB2 -0.0056 -0.0008 -0.0078 152 PRO 38 HB3 -0.0071 -0.0047 -0.0115 153 PRO 38 HG2 -0.0026 -0.0062 -0.0046 154 PRO 38 HG3 -0.0038 -0.0102 -0.0078 155 PRO 38 HD2 -0.0011 -0.0051 -0.0017 156 PRO 38 HD3 -0.0010 -0.0104 -0.0034 157 GLY 39 N -0.0066 0.0005 -0.0120 158 GLY 39 CA -0.0087 0.0040 -0.0123 159 GLY 39 C -0.0080 0.0038 -0.0117 160 GLY 39 O -0.0088 0.0069 -0.0107 161 GLY 39 H -0.0073 -0.0016 -0.0141 162 GLY 39 HA2 -0.0111 0.0043 -0.0148 163 GLY 39 HA3 -0.0084 0.0067 -0.0104 164 GLY 40 N -0.0038 -0.0003 -0.0114 165 GLY 40 CA -0.0034 0.0002 -0.0102 166 GLY 40 C -0.0027 0.0009 -0.0078 167 GLY 40 O -0.0024 0.0016 -0.0066 168 GLY 40 H -0.0038 -0.0019 -0.0118 169 GLY 40 HA2 -0.0034 -0.0013 -0.0102 170 GLY 40 HA3 -0.0037 0.0016 -0.0110 171 GLY 41 N -0.0039 0.0015 -0.0050 172 GLY 41 CA -0.0028 0.0028 -0.0015 173 GLY 41 C -0.0037 0.0068 -0.0009 174 GLY 41 O -0.0030 0.0084 0.0019 175 GLY 41 H -0.0041 0.0007 -0.0062 176 GLY 41 HA2 -0.0021 0.0021 -0.0005 177 GLY 41 HA3 -0.0019 0.0017 -0.0002 178 LEU 42 N -0.0020 0.0077 -0.0038 179 LEU 42 CA -0.0028 0.0085 -0.0037 180 LEU 42 C -0.0036 0.0119 -0.0031 181 LEU 42 O -0.0039 0.0131 -0.0029 182 LEU 42 CB -0.0056 0.0066 -0.0041 183 LEU 42 CG -0.0052 0.0031 -0.0047 184 LEU 42 CD1 -0.0082 0.0016 -0.0051 185 LEU 42 CD2 -0.0025 0.0020 -0.0048 186 LEU 42 H -0.0037 0.0072 -0.0040 187 LEU 42 HA -0.0009 0.0079 -0.0037 188 LEU 42 HB2 -0.0075 0.0073 -0.0041 189 LEU 42 HB3 -0.0062 0.0073 -0.0040 190 LEU 42 HG -0.0048 0.0025 -0.0048 191 LEU 42 HD11 -0.0079 -0.0009 -0.0055 192 LEU 42 HD12 -0.0088 0.0023 -0.0050 193 LEU 42 HD13 -0.0101 0.0022 -0.0050 194 LEU 42 HD21 -0.0029 0.0027 -0.0047 195 LEU 42 HD22 -0.0024 -0.0004 -0.0052 196 LEU 42 HD23 -0.0004 0.0030 -0.0046 197 HIS 43 N -0.0102 0.0121 -0.0043 198 HIS 43 CA -0.0110 0.0145 -0.0025 199 HIS 43 C -0.0081 0.0147 -0.0002 200 HIS 43 O -0.0065 0.0132 -0.0004 201 HIS 43 CB -0.0128 0.0146 -0.0039 202 HIS 43 CG -0.0156 0.0141 -0.0064 203 HIS 43 ND1 -0.0184 0.0162 -0.0065 204 HIS 43 CD2 -0.0161 0.0118 -0.0090 205 HIS 43 CE1 -0.0204 0.0153 -0.0090 206 HIS 43 NE2 -0.0191 0.0126 -0.0106 207 HIS 43 H -0.0088 0.0103 -0.0050 208 HIS 43 HA -0.0123 0.0163 -0.0017 209 HIS 43 HB2 -0.0113 0.0130 -0.0042 210 HIS 43 HB3 -0.0135 0.0165 -0.0024 211 HIS 43 HD1 -0.0187 0.0181 -0.0049 212 HIS 43 HD2 -0.0145 0.0098 -0.0098 213 HIS 43 HE1 -0.0228 0.0165 -0.0096 214 HIS 43 HE2 -0.0201 0.0113 -0.0125 215 ARG 44 N -0.0056 0.0161 0.0013 216 ARG 44 CA -0.0045 0.0149 0.0038 217 ARG 44 C -0.0040 0.0182 0.0042 218 ARG 44 O -0.0039 0.0218 0.0039 219 ARG 44 CB -0.0026 0.0142 0.0075 220 ARG 44 CG -0.0027 0.0118 0.0077 221 ARG 44 CD -0.0008 0.0118 0.0115 222 ARG 44 NE -0.0007 0.0097 0.0119 223 ARG 44 CZ 0.0009 0.0089 0.0151 224 ARG 44 NH1 0.0025 0.0101 0.0181 225 ARG 44 NH2 0.0008 0.0069 0.0153 226 ARG 44 H -0.0053 0.0186 0.0017 227 ARG 44 HA -0.0050 0.0122 0.0030 228 ARG 44 HB2 -0.0019 0.0171 0.0086 229 ARG 44 HB3 -0.0019 0.0128 0.0090 230 ARG 44 HG2 -0.0033 0.0088 0.0069 231 ARG 44 HG3 -0.0035 0.0132 0.0059 232 ARG 44 HD2 -0.0001 0.0148 0.0123 233 ARG 44 HD3 -0.0000 0.0103 0.0132 234 ARG 44 HE -0.0019 0.0089 0.0097 235 ARG 44 HH11 0.0026 0.0116 0.0181 236 ARG 44 HH12 0.0037 0.0095 0.0205 237 ARG 44 HH21 -0.0003 0.0059 0.0131 238 ARG 44 HH22 0.0020 0.0062 0.0176 239 CYS 45 N -0.0028 0.0141 0.0030 240 CYS 45 CA -0.0025 0.0144 0.0025 241 CYS 45 C -0.0029 0.0141 0.0043 242 CYS 45 O -0.0040 0.0129 0.0049 243 CYS 45 CB -0.0032 0.0134 0.0008 244 CYS 45 SG -0.0030 0.0135 0.0003 245 CYS 45 H -0.0037 0.0131 0.0031 246 CYS 45 HA -0.0014 0.0155 0.0022 247 CYS 45 HB2 -0.0027 0.0137 -0.0005 248 CYS 45 HB3 -0.0042 0.0123 0.0009 249 LEU 46 N 0.0012 0.0186 0.0059 250 LEU 46 CA -0.0007 0.0186 0.0119 251 LEU 46 C -0.0037 0.0143 0.0119 252 LEU 46 O -0.0068 0.0118 0.0161 253 LEU 46 CB 0.0023 0.0239 0.0144 254 LEU 46 CG 0.0053 0.0283 0.0150 255 LEU 46 CD1 0.0083 0.0334 0.0171 256 LEU 46 CD2 0.0034 0.0276 0.0193 257 LEU 46 H 0.0039 0.0215 0.0039 258 LEU 46 HA -0.0021 0.0178 0.0147 259 LEU 46 HB2 0.0038 0.0247 0.0115 260 LEU 46 HB3 0.0009 0.0237 0.0188 261 LEU 46 HG 0.0066 0.0283 0.0106 262 LEU 46 HD11 0.0098 0.0341 0.0138 263 LEU 46 HD12 0.0103 0.0365 0.0177 264 LEU 46 HD13 0.0069 0.0333 0.0214 265 LEU 46 HD21 0.0015 0.0241 0.0176 266 LEU 46 HD22 0.0019 0.0273 0.0237 267 LEU 46 HD23 0.0057 0.0309 0.0198 268 ALA 47 N 0.0007 0.0108 0.0030 269 ALA 47 CA -0.0017 0.0084 0.0012 270 ALA 47 C -0.0032 0.0090 0.0015 271 ALA 47 O -0.0059 0.0076 0.0003 272 ALA 47 CB 0.0004 0.0053 -0.0006 273 ALA 47 H 0.0033 0.0103 0.0029 274 ALA 47 HA -0.0039 0.0084 0.0010 275 ALA 47 HB1 -0.0015 0.0035 -0.0019 276 ALA 47 HB2 0.0026 0.0053 -0.0004 277 ALA 47 HB3 0.0014 0.0049 -0.0007 278 CYS 48 N -0.0031 0.0144 0.0030 279 CYS 48 CA -0.0043 0.0143 0.0031 280 CYS 48 C -0.0048 0.0142 0.0044 281 CYS 48 O -0.0058 0.0141 0.0045 282 CYS 48 CB -0.0046 0.0143 0.0026 283 CYS 48 SG -0.0044 0.0143 0.0011 284 CYS 48 H -0.0025 0.0145 0.0034 285 CYS 48 HA -0.0048 0.0142 0.0026 286 CYS 48 HB2 -0.0041 0.0143 0.0028 287 CYS 48 HB3 -0.0055 0.0142 0.0027 288 ALA 49 N -0.0006 0.0129 0.0103 289 ALA 49 CA -0.0006 0.0115 0.0114 290 ALA 49 C -0.0017 0.0099 0.0099 291 ALA 49 O -0.0020 0.0081 0.0106 292 ALA 49 CB -0.0002 0.0102 0.0135 293 ALA 49 H -0.0002 0.0145 0.0102 294 ALA 49 HA -0.0001 0.0126 0.0118 295 ALA 49 HB1 -0.0006 0.0091 0.0131 296 ALA 49 HB2 0.0006 0.0114 0.0145 297 ALA 49 HB3 -0.0001 0.0093 0.0143 298 ARG 50 N -0.0007 0.0109 0.0062 299 ARG 50 CA -0.0047 0.0097 0.0065 300 ARG 50 C -0.0061 0.0078 0.0072 301 ARG 50 O -0.0049 0.0089 0.0068 302 ARG 50 CB -0.0075 0.0128 0.0049 303 ARG 50 CG -0.0066 0.0147 0.0041 304 ARG 50 CD -0.0094 0.0177 0.0026 305 ARG 50 NE -0.0085 0.0197 0.0017 306 ARG 50 CZ -0.0103 0.0227 0.0003 307 ARG 50 NH1 -0.0133 0.0239 -0.0005 308 ARG 50 NH2 -0.0093 0.0243 -0.0004 309 ARG 50 H -0.0000 0.0129 0.0053 310 ARG 50 HA -0.0049 0.0078 0.0073 311 ARG 50 HB2 -0.0072 0.0148 0.0040 312 ARG 50 HB3 -0.0104 0.0118 0.0052 313 ARG 50 HG2 -0.0068 0.0128 0.0049 314 ARG 50 HG3 -0.0036 0.0158 0.0038 315 ARG 50 HD2 -0.0092 0.0196 0.0017 316 ARG 50 HD3 -0.0123 0.0166 0.0029 317 ARG 50 HE -0.0064 0.0187 0.0023 318 ARG 50 HH11 -0.0142 0.0228 -0.0000 319 ARG 50 HH12 -0.0147 0.0261 -0.0016 320 ARG 50 HH21 -0.0071 0.0234 0.0002 321 ARG 50 HH22 -0.0106 0.0265 -0.0015 322 TYR 51 N -0.0038 0.0063 0.0045 323 TYR 51 CA -0.0054 0.0064 0.0023 324 TYR 51 C -0.0079 0.0061 -0.0013 325 TYR 51 O -0.0085 0.0034 -0.0022 326 TYR 51 CB -0.0048 0.0027 0.0030 327 TYR 51 CG -0.0021 0.0024 0.0067 328 TYR 51 CD1 -0.0004 0.0004 0.0091 329 TYR 51 CD2 -0.0014 0.0043 0.0077 330 TYR 51 CE1 0.0020 0.0002 0.0124 331 TYR 51 CE2 0.0010 0.0041 0.0111 332 TYR 51 CZ 0.0026 0.0020 0.0134 333 TYR 51 OH 0.0050 0.0018 0.0167 334 TYR 51 H -0.0036 0.0035 0.0046 335 TYR 51 HA -0.0051 0.0092 0.0027 336 TYR 51 HB2 -0.0051 -0.0001 0.0025 337 TYR 51 HB3 -0.0059 0.0028 0.0014 338 TYR 51 HD1 -0.0009 -0.0011 0.0083 339 TYR 51 HD2 -0.0027 0.0059 0.0059 340 TYR 51 HE1 0.0033 -0.0015 0.0142 341 TYR 51 HE2 0.0015 0.0055 0.0118 342 TYR 51 HH 0.0056 -0.0011 0.0174 343 PHE 52 N -0.0084 0.0116 -0.0030 344 PHE 52 CA -0.0095 0.0119 -0.0028 345 PHE 52 C -0.0108 0.0109 -0.0039 346 PHE 52 O -0.0113 0.0102 -0.0045 347 PHE 52 CB -0.0106 0.0132 -0.0017 348 PHE 52 CG -0.0095 0.0144 -0.0005 349 PHE 52 CD1 -0.0087 0.0146 -0.0002 350 PHE 52 CD2 -0.0091 0.0152 0.0004 351 PHE 52 CE1 -0.0077 0.0156 0.0008 352 PHE 52 CE2 -0.0081 0.0163 0.0014 353 PHE 52 CZ -0.0074 0.0165 0.0017 354 PHE 52 H -0.0089 0.0115 -0.0031 355 PHE 52 HA -0.0087 0.0121 -0.0026 356 PHE 52 HB2 -0.0114 0.0131 -0.0019 357 PHE 52 HB3 -0.0115 0.0134 -0.0015 358 PHE 52 HD1 -0.0090 0.0139 -0.0009 359 PHE 52 HD2 -0.0097 0.0151 0.0002 360 PHE 52 HE1 -0.0071 0.0157 0.0010 361 PHE 52 HE2 -0.0079 0.0169 0.0021 362 PHE 52 HZ -0.0065 0.0173 0.0025 363 ILE 53 N -0.0101 0.0088 -0.0057 364 ILE 53 CA -0.0121 0.0071 -0.0085 365 ILE 53 C -0.0159 0.0082 -0.0089 366 ILE 53 O -0.0175 0.0068 -0.0112 367 ILE 53 CB -0.0120 0.0064 -0.0093 368 ILE 53 CG1 -0.0133 0.0087 -0.0072 369 ILE 53 CG2 -0.0083 0.0048 -0.0095 370 ILE 53 CD1 -0.0134 0.0081 -0.0079 371 ILE 53 H -0.0091 0.0093 -0.0046 372 ILE 53 HA -0.0109 0.0054 -0.0099 373 ILE 53 HB -0.0137 0.0052 -0.0113 374 ILE 53 HG12 -0.0116 0.0098 -0.0051 375 ILE 53 HG13 -0.0159 0.0097 -0.0072 376 ILE 53 HG21 -0.0065 0.0058 -0.0075 377 ILE 53 HG22 -0.0076 0.0031 -0.0111 378 ILE 53 HG23 -0.0083 0.0043 -0.0101 379 ILE 53 HD11 -0.0151 0.0070 -0.0099 380 ILE 53 HD12 -0.0143 0.0098 -0.0063 381 ILE 53 HD13 -0.0108 0.0070 -0.0080 382 ASP 54 N -0.0142 0.0130 -0.0068 383 ASP 54 CA -0.0172 0.0130 -0.0065 384 ASP 54 C -0.0183 0.0138 -0.0042 385 ASP 54 O -0.0167 0.0145 -0.0024 386 ASP 54 CB -0.0178 0.0132 -0.0060 387 ASP 54 CG -0.0209 0.0131 -0.0058 388 ASP 54 OD1 -0.0222 0.0123 -0.0079 389 ASP 54 OD2 -0.0220 0.0138 -0.0036 390 ASP 54 H -0.0131 0.0136 -0.0052 391 ASP 54 HA -0.0181 0.0124 -0.0083 392 ASP 54 HB2 -0.0169 0.0127 -0.0076 393 ASP 54 HB3 -0.0169 0.0138 -0.0041 394 SER 55 N -0.0183 0.0132 -0.0029 395 SER 55 CA -0.0206 0.0118 -0.0010 396 SER 55 C -0.0195 0.0111 0.0026 397 SER 55 O -0.0202 0.0103 0.0044 398 SER 55 CB -0.0238 0.0109 -0.0018 399 SER 55 OG -0.0261 0.0095 0.0001 400 SER 55 H -0.0190 0.0133 -0.0042 401 SER 55 HA -0.0209 0.0119 -0.0016 402 SER 55 HB2 -0.0246 0.0113 -0.0042 403 SER 55 HB3 -0.0236 0.0109 -0.0015 404 SER 55 HG -0.0261 0.0089 0.0020 405 THR 56 N -0.0215 0.0082 0.0048 406 THR 56 CA -0.0205 0.0090 0.0106 407 THR 56 C -0.0172 0.0130 0.0106 408 THR 56 O -0.0171 0.0128 0.0135 409 THR 56 CB -0.0194 0.0100 0.0146 410 THR 56 OG1 -0.0224 0.0066 0.0141 411 THR 56 CG2 -0.0189 0.0102 0.0210 412 THR 56 H -0.0212 0.0087 0.0039 413 THR 56 HA -0.0229 0.0061 0.0123 414 THR 56 HB -0.0168 0.0132 0.0131 415 THR 56 HG1 -0.0219 0.0074 0.0105 416 THR 56 HG21 -0.0181 0.0109 0.0236 417 THR 56 HG22 -0.0215 0.0070 0.0224 418 THR 56 HG23 -0.0167 0.0128 0.0214 419 ASN 57 N -0.0169 0.0145 0.0068 420 ASN 57 CA -0.0146 0.0166 0.0067 421 ASN 57 C -0.0137 0.0167 0.0056 422 ASN 57 O -0.0125 0.0184 0.0065 423 ASN 57 CB -0.0129 0.0171 0.0049 424 ASN 57 CG -0.0128 0.0181 0.0065 425 ASN 57 OD1 -0.0115 0.0202 0.0077 426 ASN 57 ND2 -0.0143 0.0167 0.0065 427 ASN 57 H -0.0171 0.0135 0.0055 428 ASN 57 HA -0.0146 0.0179 0.0087 429 ASN 57 HB2 -0.0135 0.0155 0.0033 430 ASN 57 HB3 -0.0111 0.0182 0.0040 431 ASN 57 HD21 -0.0154 0.0151 0.0055 432 ASN 57 HD22 -0.0143 0.0174 0.0075 433 LEU 58 N -0.0128 0.0141 0.0018 434 LEU 58 CA -0.0123 0.0141 0.0013 435 LEU 58 C -0.0128 0.0144 0.0021 436 LEU 58 O -0.0122 0.0152 0.0021 437 LEU 58 CB -0.0123 0.0129 0.0002 438 LEU 58 CG -0.0119 0.0126 -0.0005 439 LEU 58 CD1 -0.0128 0.0122 0.0001 440 LEU 58 CD2 -0.0108 0.0136 -0.0006 441 LEU 58 H -0.0133 0.0134 0.0016 442 LEU 58 HA -0.0114 0.0147 0.0010 443 LEU 58 HB2 -0.0118 0.0128 -0.0004 444 LEU 58 HB3 -0.0132 0.0123 0.0004 445 LEU 58 HG -0.0118 0.0119 -0.0013 446 LEU 58 HD11 -0.0125 0.0120 -0.0004 447 LEU 58 HD12 -0.0130 0.0129 0.0009 448 LEU 58 HD13 -0.0135 0.0115 0.0001 449 LEU 58 HD21 -0.0110 0.0144 0.0002 450 LEU 58 HD22 -0.0106 0.0134 -0.0011 451 LEU 58 HD23 -0.0102 0.0139 -0.0010 452 LYS 59 N -0.0152 0.0069 0.0012 453 LYS 59 CA -0.0166 0.0041 0.0039 454 LYS 59 C -0.0154 0.0081 0.0081 455 LYS 59 O -0.0157 0.0077 0.0084 456 LYS 59 CB -0.0191 -0.0011 0.0071 457 LYS 59 CG -0.0193 -0.0002 0.0124 458 LYS 59 CD -0.0218 -0.0056 0.0149 459 LYS 59 CE -0.0234 -0.0089 0.0177 460 LYS 59 NZ -0.0227 -0.0059 0.0229 461 LYS 59 H -0.0157 0.0058 0.0017 462 LYS 59 HA -0.0167 0.0029 0.0003 463 LYS 59 HB2 -0.0201 -0.0032 0.0087 464 LYS 59 HB3 -0.0199 -0.0038 0.0039 465 LYS 59 HG2 -0.0182 0.0021 0.0108 466 LYS 59 HG3 -0.0186 0.0023 0.0158 467 LYS 59 HD2 -0.0224 -0.0082 0.0113 468 LYS 59 HD3 -0.0218 -0.0048 0.0182 469 LYS 59 HE2 -0.0234 -0.0096 0.0144 470 LYS 59 HE3 -0.0251 -0.0128 0.0191 471 LYS 59 HZ1 -0.0229 -0.0054 0.0263 472 LYS 59 HZ2 -0.0239 -0.0082 0.0246 473 LYS 59 HZ3 -0.0210 -0.0020 0.0220 474 THR 60 N -0.0155 0.0070 0.0110 475 THR 60 CA -0.0144 0.0111 0.0145 476 THR 60 C -0.0138 0.0148 0.0095 477 THR 60 O -0.0134 0.0162 0.0107 478 THR 60 CB -0.0130 0.0157 0.0191 479 THR 60 OG1 -0.0135 0.0121 0.0237 480 THR 60 CG2 -0.0117 0.0200 0.0227 481 THR 60 H -0.0153 0.0079 0.0115 482 THR 60 HA -0.0149 0.0080 0.0173 483 THR 60 HB -0.0125 0.0185 0.0160 484 THR 60 HG1 -0.0141 0.0102 0.0215 485 THR 60 HG21 -0.0108 0.0231 0.0258 486 THR 60 HG22 -0.0122 0.0170 0.0256 487 THR 60 HG23 -0.0113 0.0227 0.0192 488 HIS 61 N -0.0095 0.0117 0.0038 489 HIS 61 CA -0.0090 0.0125 0.0027 490 HIS 61 C -0.0083 0.0125 0.0017 491 HIS 61 O -0.0081 0.0134 0.0008 492 HIS 61 CB -0.0086 0.0120 0.0024 493 HIS 61 CG -0.0079 0.0124 0.0012 494 HIS 61 ND1 -0.0080 0.0136 0.0006 495 HIS 61 CD2 -0.0070 0.0116 0.0004 496 HIS 61 CE1 -0.0072 0.0136 -0.0005 497 HIS 61 NE2 -0.0066 0.0125 -0.0007 498 HIS 61 H -0.0094 0.0109 0.0042 499 HIS 61 HA -0.0095 0.0135 0.0028 500 HIS 61 HB2 -0.0092 0.0124 0.0029 501 HIS 61 HB3 -0.0084 0.0109 0.0027 502 HIS 61 HD1 -0.0086 0.0144 0.0009 503 HIS 61 HD2 -0.0066 0.0106 0.0005 504 HIS 61 HE1 -0.0070 0.0144 -0.0013 505 PHE 62 N -0.0067 0.0026 -0.0052 506 PHE 62 CA -0.0064 0.0016 -0.0067 507 PHE 62 C -0.0058 0.0006 -0.0079 508 PHE 62 O -0.0054 -0.0003 -0.0092 509 PHE 62 CB -0.0050 0.0014 -0.0063 510 PHE 62 CG -0.0053 0.0023 -0.0049 511 PHE 62 CD1 -0.0070 0.0029 -0.0050 512 PHE 62 CD2 -0.0039 0.0027 -0.0036 513 PHE 62 CE1 -0.0073 0.0038 -0.0037 514 PHE 62 CE2 -0.0042 0.0035 -0.0023 515 PHE 62 CZ -0.0058 0.0041 -0.0024 516 PHE 62 H -0.0056 0.0029 -0.0042 517 PHE 62 HA -0.0077 0.0018 -0.0072 518 PHE 62 HB2 -0.0036 0.0011 -0.0061 519 PHE 62 HB3 -0.0052 0.0008 -0.0074 520 PHE 62 HD1 -0.0081 0.0026 -0.0060 521 PHE 62 HD2 -0.0026 0.0022 -0.0036 522 PHE 62 HE1 -0.0086 0.0042 -0.0038 523 PHE 62 HE2 -0.0031 0.0038 -0.0013 524 PHE 62 HZ -0.0060 0.0048 -0.0013 525 ARG 63 N -0.0117 0.0021 -0.0164 526 ARG 63 CA -0.0118 0.0024 -0.0088 527 ARG 63 C -0.0111 0.0106 -0.0143 528 ARG 63 O -0.0110 0.0125 -0.0088 529 ARG 63 CB -0.0118 0.0059 0.0044 530 ARG 63 CG -0.0126 -0.0036 0.0109 531 ARG 63 CD -0.0125 0.0003 0.0239 532 ARG 63 NE -0.0125 0.0025 0.0312 533 ARG 63 CZ -0.0125 0.0041 0.0433 534 ARG 63 NH1 -0.0127 0.0030 0.0499 535 ARG 63 NH2 -0.0124 0.0066 0.0488 536 ARG 63 H -0.0114 0.0066 -0.0139 537 ARG 63 HA -0.0126 -0.0068 -0.0089 538 ARG 63 HB2 -0.0110 0.0145 0.0044 539 ARG 63 HB3 -0.0117 0.0070 0.0094 540 ARG 63 HG2 -0.0133 -0.0121 0.0112 541 ARG 63 HG3 -0.0127 -0.0048 0.0059 542 ARG 63 HD2 -0.0132 -0.0069 0.0283 543 ARG 63 HD3 -0.0118 0.0086 0.0237 544 ARG 63 HE -0.0123 0.0030 0.0265 545 ARG 63 HH11 -0.0128 0.0010 0.0461 546 ARG 63 HH12 -0.0128 0.0042 0.0591 547 ARG 63 HH21 -0.0123 0.0073 0.0440 548 ARG 63 HH22 -0.0125 0.0079 0.0579 549 SER 64 N -0.0036 -0.0052 -0.0070 550 SER 64 CA -0.0036 -0.0050 -0.0073 551 SER 64 C -0.0030 -0.0047 -0.0075 552 SER 64 O -0.0026 -0.0049 -0.0073 553 SER 64 CB -0.0037 -0.0052 -0.0070 554 SER 64 OG -0.0042 -0.0055 -0.0066 555 SER 64 H -0.0035 -0.0054 -0.0066 556 SER 64 HA -0.0040 -0.0048 -0.0076 557 SER 64 HB2 -0.0033 -0.0053 -0.0067 558 SER 64 HB3 -0.0039 -0.0051 -0.0072 559 SER 64 HG -0.0046 -0.0054 -0.0068 560 LYS 65 N -0.0025 -0.0119 -0.0173 561 LYS 65 CA -0.0046 -0.0039 -0.0102 562 LYS 65 C 0.0005 -0.0051 -0.0011 563 LYS 65 O -0.0009 0.0003 0.0036 564 LYS 65 CB -0.0078 0.0018 -0.0090 565 LYS 65 CG -0.0042 -0.0024 -0.0074 566 LYS 65 CD 0.0019 -0.0052 0.0017 567 LYS 65 CE 0.0053 -0.0093 0.0029 568 LYS 65 NZ 0.0115 -0.0125 0.0114 569 LYS 65 H -0.0026 -0.0136 -0.0199 570 LYS 65 HA -0.0081 -0.0006 -0.0130 571 LYS 65 HB2 -0.0086 0.0070 -0.0031 572 LYS 65 HB3 -0.0124 0.0043 -0.0151 573 LYS 65 HG2 -0.0072 0.0021 -0.0073 574 LYS 65 HG3 -0.0032 -0.0079 -0.0131 575 LYS 65 HD2 0.0050 -0.0097 0.0018 576 LYS 65 HD3 0.0009 0.0003 0.0073 577 LYS 65 HE2 0.0023 -0.0046 0.0033 578 LYS 65 HE3 0.0059 -0.0145 -0.0031 579 LYS 65 HZ1 0.0110 -0.0078 0.0173 580 LYS 65 HZ2 0.0146 -0.0173 0.0112 581 LYS 65 HZ3 0.0135 -0.0151 0.0121 582 ASP 66 N 0.0041 -0.0085 0.0046 583 ASP 66 CA 0.0126 -0.0099 0.0142 584 ASP 66 C 0.0136 -0.0130 0.0098 585 ASP 66 O 0.0163 -0.0111 0.0173 586 ASP 66 CB 0.0239 -0.0170 0.0171 587 ASP 66 CG 0.0325 -0.0176 0.0286 588 ASP 66 OD1 0.0331 -0.0124 0.0392 589 ASP 66 OD2 0.0390 -0.0233 0.0272 590 ASP 66 H 0.0066 -0.0129 -0.0002 591 ASP 66 HA 0.0098 -0.0034 0.0225 592 ASP 66 HB2 0.0226 -0.0152 0.0186 593 ASP 66 HB3 0.0271 -0.0237 0.0091 594 HIS 67 N 0.0048 -0.0097 -0.0031 595 HIS 67 CA 0.0040 -0.0082 -0.0034 596 HIS 67 C 0.0026 -0.0071 -0.0031 597 HIS 67 O 0.0013 -0.0066 -0.0025 598 HIS 67 CB 0.0052 -0.0072 -0.0048 599 HIS 67 CG 0.0046 -0.0057 -0.0052 600 HIS 67 ND1 0.0034 -0.0056 -0.0045 601 HIS 67 CD2 0.0052 -0.0045 -0.0064 602 HIS 67 CE1 0.0035 -0.0044 -0.0053 603 HIS 67 NE2 0.0046 -0.0037 -0.0064 604 HIS 67 H 0.0059 -0.0099 -0.0037 605 HIS 67 HA 0.0035 -0.0085 -0.0029 606 HIS 67 HB2 0.0061 -0.0078 -0.0050 607 HIS 67 HB3 0.0056 -0.0068 -0.0053 608 HIS 67 HD1 0.0027 -0.0063 -0.0036 609 HIS 67 HD2 0.0060 -0.0042 -0.0070 610 HIS 67 HE1 0.0028 -0.0040 -0.0050 611 LYS 68 N -0.0003 -0.0094 -0.0056 612 LYS 68 CA -0.0007 -0.0068 -0.0052 613 LYS 68 C -0.0000 -0.0051 -0.0028 614 LYS 68 O 0.0002 -0.0034 -0.0014 615 LYS 68 CB -0.0021 -0.0054 -0.0077 616 LYS 68 CG -0.0028 -0.0073 -0.0101 617 LYS 68 CD -0.0042 -0.0058 -0.0125 618 LYS 68 CE -0.0047 -0.0050 -0.0132 619 LYS 68 NZ -0.0061 -0.0037 -0.0156 620 LYS 68 H -0.0009 -0.0097 -0.0072 621 LYS 68 HA -0.0003 -0.0074 -0.0047 622 LYS 68 HB2 -0.0024 -0.0048 -0.0080 623 LYS 68 HB3 -0.0024 -0.0035 -0.0074 624 LYS 68 HG2 -0.0024 -0.0082 -0.0098 625 LYS 68 HG3 -0.0025 -0.0092 -0.0103 626 LYS 68 HD2 -0.0045 -0.0039 -0.0123 627 LYS 68 HD3 -0.0046 -0.0071 -0.0142 628 LYS 68 HE2 -0.0043 -0.0069 -0.0133 629 LYS 68 HE3 -0.0043 -0.0036 -0.0116 630 LYS 68 HZ1 -0.0065 -0.0019 -0.0156 631 LYS 68 HZ2 -0.0064 -0.0033 -0.0161 632 LYS 68 HZ3 -0.0064 -0.0051 -0.0172 633 LYS 69 N -0.0055 -0.0061 0.0063 634 LYS 69 CA -0.0032 -0.0024 0.0187 635 LYS 69 C 0.0046 -0.0047 0.0159 636 LYS 69 O 0.0007 -0.0025 0.0206 637 LYS 69 CB 0.0056 -0.0008 0.0283 638 LYS 69 CG 0.0130 0.0019 0.0404 639 LYS 69 CD 0.0224 0.0025 0.0471 640 LYS 69 CE 0.0315 0.0049 0.0592 641 LYS 69 NZ 0.0407 0.0050 0.0643 642 LYS 69 H -0.0018 -0.0068 0.0061 643 LYS 69 HA -0.0131 0.0007 0.0232 644 LYS 69 HB2 -0.0011 0.0015 0.0320 645 LYS 69 HB3 0.0135 -0.0041 0.0223 646 LYS 69 HG2 0.0191 -0.0005 0.0363 647 LYS 69 HG3 0.0054 0.0054 0.0473 648 LYS 69 HD2 0.0156 0.0048 0.0507 649 LYS 69 HD3 0.0291 -0.0011 0.0396 650 LYS 69 HE2 0.0379 0.0028 0.0560 651 LYS 69 HE3 0.0249 0.0086 0.0672 652 LYS 69 HZ1 0.0475 0.0065 0.0725 653 LYS 69 HZ2 0.0468 0.0014 0.0565 654 LYS 69 HZ3 0.0346 0.0070 0.0672 655 ARG 70 N 0.0096 -0.0050 0.0145 656 ARG 70 CA 0.0145 -0.0068 0.0136 657 ARG 70 C 0.0094 -0.0071 0.0086 658 ARG 70 O 0.0104 -0.0069 0.0099 659 ARG 70 CB 0.0224 -0.0106 0.0096 660 ARG 70 CG 0.0283 -0.0126 0.0093 661 ARG 70 CD 0.0310 -0.0103 0.0178 662 ARG 70 NE 0.0364 -0.0119 0.0177 663 ARG 70 CZ 0.0368 -0.0100 0.0232 664 ARG 70 NH1 0.0321 -0.0064 0.0294 665 ARG 70 NH2 0.0420 -0.0118 0.0226 666 ARG 70 H 0.0110 -0.0064 0.0117 667 ARG 70 HA 0.0162 -0.0051 0.0196 668 ARG 70 HB2 0.0255 -0.0105 0.0127 669 ARG 70 HB3 0.0205 -0.0123 0.0035 670 ARG 70 HG2 0.0337 -0.0152 0.0065 671 ARG 70 HG3 0.0253 -0.0129 0.0057 672 ARG 70 HD2 0.0255 -0.0076 0.0206 673 ARG 70 HD3 0.0342 -0.0099 0.0213 674 ARG 70 HE 0.0399 -0.0147 0.0132 675 ARG 70 HH11 0.0281 -0.0049 0.0302 676 ARG 70 HH12 0.0323 -0.0049 0.0336 677 ARG 70 HH21 0.0456 -0.0146 0.0180 678 ARG 70 HH22 0.0426 -0.0106 0.0266 679 LEU 71 N 0.0040 -0.0080 0.0017 680 LEU 71 CA 0.0019 -0.0071 -0.0002 681 LEU 71 C -0.0008 -0.0066 0.0014 682 LEU 71 O -0.0023 -0.0061 0.0008 683 LEU 71 CB 0.0015 -0.0067 -0.0024 684 LEU 71 CG 0.0040 -0.0072 -0.0043 685 LEU 71 CD1 0.0033 -0.0067 -0.0064 686 LEU 71 CD2 0.0053 -0.0073 -0.0056 687 LEU 71 H 0.0047 -0.0081 0.0015 688 LEU 71 HA 0.0025 -0.0071 -0.0012 689 LEU 71 HB2 0.0009 -0.0067 -0.0013 690 LEU 71 HB3 -0.0001 -0.0061 -0.0037 691 LEU 71 HG 0.0056 -0.0078 -0.0029 692 LEU 71 HD11 0.0018 -0.0061 -0.0078 693 LEU 71 HD12 0.0025 -0.0066 -0.0054 694 LEU 71 HD13 0.0051 -0.0070 -0.0077 695 LEU 71 HD21 0.0059 -0.0077 -0.0041 696 LEU 71 HD22 0.0038 -0.0067 -0.0069 697 LEU 71 HD23 0.0070 -0.0076 -0.0070 698 LYS 72 N 0.0005 -0.0061 0.0102 699 LYS 72 CA -0.0021 -0.0108 0.0102 700 LYS 72 C -0.0100 -0.0131 0.0098 701 LYS 72 O -0.0146 -0.0132 0.0095 702 LYS 72 CB 0.0028 -0.0175 0.0106 703 LYS 72 CG 0.0007 -0.0227 0.0106 704 LYS 72 CD 0.0061 -0.0289 0.0111 705 LYS 72 CE 0.0041 -0.0341 0.0112 706 LYS 72 NZ 0.0095 -0.0400 0.0116 707 LYS 72 H 0.0047 -0.0077 0.0104 708 LYS 72 HA -0.0020 -0.0077 0.0101 709 LYS 72 HB2 0.0083 -0.0157 0.0109 710 LYS 72 HB3 0.0027 -0.0205 0.0107 711 LYS 72 HG2 -0.0046 -0.0249 0.0104 712 LYS 72 HG3 0.0005 -0.0197 0.0106 713 LYS 72 HD2 0.0114 -0.0266 0.0114 714 LYS 72 HD3 0.0063 -0.0319 0.0112 715 LYS 72 HE2 -0.0012 -0.0364 0.0109 716 LYS 72 HE3 0.0036 -0.0310 0.0110 717 LYS 72 HZ1 0.0099 -0.0430 0.0117 718 LYS 72 HZ2 0.0146 -0.0378 0.0118 719 LYS 72 HZ3 0.0079 -0.0434 0.0116 720 GLN 73 N -0.0040 -0.0109 0.0162 721 GLN 73 CA -0.0012 -0.0105 0.0184 722 GLN 73 C -0.0011 -0.0110 0.0103 723 GLN 73 O -0.0038 -0.0112 0.0106 724 GLN 73 CB 0.0077 -0.0096 0.0225 725 GLN 73 CG 0.0082 -0.0092 0.0309 726 GLN 73 CD 0.0173 -0.0083 0.0345 727 GLN 73 OE1 0.0237 -0.0080 0.0298 728 GLN 73 NE2 0.0179 -0.0078 0.0429 729 GLN 73 H 0.0001 -0.0105 0.0166 730 GLN 73 HA -0.0058 -0.0106 0.0230 731 GLN 73 HB2 0.0122 -0.0095 0.0180 732 GLN 73 HB3 0.0097 -0.0094 0.0238 733 GLN 73 HG2 0.0040 -0.0092 0.0356 734 GLN 73 HG3 0.0060 -0.0094 0.0297 735 GLN 73 HE21 0.0125 -0.0080 0.0463 736 GLN 73 HE22 0.0235 -0.0072 0.0457 737 LEU 74 N -0.0004 -0.0087 0.0105 738 LEU 74 CA -0.0009 -0.0072 0.0040 739 LEU 74 C -0.0078 -0.0072 0.0003 740 LEU 74 O -0.0097 -0.0063 -0.0046 741 LEU 74 CB 0.0052 -0.0054 -0.0002 742 LEU 74 CG 0.0060 -0.0037 -0.0070 743 LEU 74 CD1 0.0066 -0.0039 -0.0060 744 LEU 74 CD2 0.0122 -0.0021 -0.0106 745 LEU 74 H 0.0024 -0.0085 0.0110 746 LEU 74 HA -0.0006 -0.0074 0.0050 747 LEU 74 HB2 0.0099 -0.0055 0.0028 748 LEU 74 HB3 0.0043 -0.0053 -0.0012 749 LEU 74 HG 0.0014 -0.0036 -0.0101 750 LEU 74 HD11 0.0073 -0.0026 -0.0108 751 LEU 74 HD12 0.0110 -0.0041 -0.0027 752 LEU 74 HD13 0.0021 -0.0050 -0.0037 753 LEU 74 HD21 0.0167 -0.0022 -0.0075 754 LEU 74 HD22 0.0126 -0.0009 -0.0153 755 LEU 74 HD23 0.0115 -0.0019 -0.0115 756 SER 75 N -0.0105 -0.0082 0.0040 757 SER 75 CA -0.0149 -0.0066 0.0021 758 SER 75 C -0.0126 -0.0013 -0.0024 759 SER 75 O -0.0165 0.0013 -0.0051 760 SER 75 CB -0.0224 -0.0069 0.0019 761 SER 75 OG -0.0268 -0.0056 0.0004 762 SER 75 H -0.0072 -0.0106 0.0064 763 SER 75 HA -0.0143 -0.0091 0.0044 764 SER 75 HB2 -0.0237 -0.0106 0.0051 765 SER 75 HB3 -0.0230 -0.0044 -0.0004 766 SER 75 HG -0.0305 -0.0080 0.0023 767 VAL 76 N -0.0037 -0.0047 -0.0028 768 VAL 76 CA -0.0025 -0.0027 -0.0045 769 VAL 76 C -0.0025 -0.0023 -0.0048 770 VAL 76 O -0.0036 -0.0008 -0.0060 771 VAL 76 CB 0.0004 -0.0027 -0.0047 772 VAL 76 CG1 0.0017 -0.0007 -0.0065 773 VAL 76 CG2 0.0005 -0.0031 -0.0044 774 VAL 76 H -0.0026 -0.0058 -0.0019 775 VAL 76 HA -0.0036 -0.0015 -0.0054 776 VAL 76 HB 0.0015 -0.0039 -0.0038 777 VAL 76 HG11 0.0037 -0.0007 -0.0066 778 VAL 76 HG12 0.0005 0.0005 -0.0074 779 VAL 76 HG13 0.0017 -0.0005 -0.0066 780 VAL 76 HG21 0.0025 -0.0031 -0.0045 781 VAL 76 HG22 -0.0003 -0.0045 -0.0031 782 VAL 76 HG23 -0.0007 -0.0019 -0.0053 783 GLU 77 N -0.0004 -0.0031 0.0002 784 GLU 77 CA 0.0012 -0.0021 -0.0007 785 GLU 77 C 0.0017 -0.0036 -0.0013 786 GLU 77 O 0.0026 -0.0052 -0.0022 787 GLU 77 CB 0.0028 -0.0014 -0.0018 788 GLU 77 CG 0.0035 -0.0032 -0.0025 789 GLU 77 CD 0.0052 -0.0025 -0.0035 790 GLU 77 OE1 0.0050 -0.0012 -0.0032 791 GLU 77 OE2 0.0067 -0.0031 -0.0046 792 GLU 77 H -0.0004 -0.0047 -0.0001 793 GLU 77 HA 0.0007 -0.0006 -0.0002 794 GLU 77 HB2 0.0040 -0.0009 -0.0025 795 GLU 77 HB3 0.0025 0.0000 -0.0013 796 GLU 77 HG2 0.0023 -0.0037 -0.0018 797 GLU 77 HG3 0.0038 -0.0046 -0.0029 798 PRO 78 N 0.0021 -0.0006 0.0012 799 PRO 78 CA 0.0031 -0.0047 0.0012 800 PRO 78 C 0.0087 -0.0032 -0.0015 801 PRO 78 O 0.0096 0.0021 -0.0025 802 PRO 78 CB -0.0018 -0.0031 0.0033 803 PRO 78 CG -0.0061 0.0003 0.0049 804 PRO 78 CD -0.0029 0.0036 0.0030 805 PRO 78 HA 0.0032 -0.0095 0.0017 806 PRO 78 HB2 -0.0004 -0.0003 0.0023 807 PRO 78 HB3 -0.0034 -0.0073 0.0045 808 PRO 78 HG2 -0.0086 0.0036 0.0056 809 PRO 78 HG3 -0.0089 -0.0029 0.0065 810 PRO 78 HD2 -0.0016 0.0080 0.0020 811 PRO 78 HD3 -0.0053 0.0041 0.0041 812 TYR 79 N 0.0186 -0.0084 -0.0070 813 TYR 79 CA 0.0223 -0.0070 -0.0125 814 TYR 79 C 0.0209 -0.0080 -0.0113 815 TYR 79 O 0.0227 -0.0043 -0.0074 816 TYR 79 CB 0.0284 -0.0011 -0.0133 817 TYR 79 CG 0.0301 -0.0003 -0.0156 818 TYR 79 CD1 0.0296 0.0015 -0.0106 819 TYR 79 CD2 0.0321 -0.0015 -0.0228 820 TYR 79 CE1 0.0311 0.0021 -0.0126 821 TYR 79 CE2 0.0335 -0.0009 -0.0249 822 TYR 79 CZ 0.0330 0.0009 -0.0198 823 TYR 79 OH 0.0345 0.0015 -0.0219 824 TYR 79 H 0.0159 -0.0118 -0.0084 825 TYR 79 HA 0.0215 -0.0101 -0.0175 826 TYR 79 HB2 0.0292 0.0020 -0.0082 827 TYR 79 HB3 0.0309 -0.0003 -0.0173 828 TYR 79 HD1 0.0281 0.0024 -0.0049 829 TYR 79 HD2 0.0324 -0.0029 -0.0268 830 TYR 79 HE1 0.0307 0.0035 -0.0086 831 TYR 79 HE2 0.0351 -0.0018 -0.0306 832 TYR 79 HH 0.0328 -0.0020 -0.0257 833 SER 80 N 0.0142 -0.0083 -0.0129 834 SER 80 CA 0.0117 -0.0082 -0.0102 835 SER 80 C 0.0130 -0.0083 -0.0117 836 SER 80 O 0.0164 -0.0082 -0.0143 837 SER 80 CB 0.0065 -0.0092 -0.0109 838 SER 80 OG 0.0037 -0.0092 -0.0080 839 SER 80 H 0.0132 -0.0091 -0.0160 840 SER 80 HA 0.0124 -0.0074 -0.0067 841 SER 80 HB2 0.0058 -0.0092 -0.0100 842 SER 80 HB3 0.0057 -0.0101 -0.0143 843 SER 80 HG 0.0037 -0.0086 -0.0051 844 GLN 81 N 0.0071 -0.0120 -0.0164 845 GLN 81 CA 0.0030 -0.0117 -0.0143 846 GLN 81 C 0.0008 -0.0073 -0.0184 847 GLN 81 O 0.0006 -0.0042 -0.0220 848 GLN 81 CB -0.0020 -0.0127 -0.0102 849 GLN 81 CG -0.0060 -0.0131 -0.0074 850 GLN 81 CD -0.0113 -0.0137 -0.0036 851 GLN 81 OE1 -0.0136 -0.0120 -0.0042 852 GLN 81 NE2 -0.0132 -0.0159 0.0003 853 GLN 81 H 0.0063 -0.0121 -0.0158 854 GLN 81 HA 0.0052 -0.0141 -0.0128 855 GLN 81 HB2 -0.0004 -0.0156 -0.0076 856 GLN 81 HB3 -0.0046 -0.0101 -0.0118 857 GLN 81 HG2 -0.0074 -0.0102 -0.0100 858 GLN 81 HG3 -0.0035 -0.0158 -0.0055 859 GLN 81 HE21 -0.0111 -0.0171 0.0005 860 GLN 81 HE22 -0.0167 -0.0163 0.0028 861 GLU 82 N 0.0039 -0.0091 -0.0224 862 GLU 82 CA 0.0028 -0.0066 -0.0236 863 GLU 82 C 0.0049 -0.0048 -0.0244 864 GLU 82 O 0.0043 -0.0026 -0.0255 865 GLU 82 CB 0.0016 -0.0058 -0.0241 866 GLU 82 CG 0.0003 -0.0033 -0.0254 867 GLU 82 CD -0.0009 -0.0028 -0.0257 868 GLU 82 OE1 0.0007 -0.0022 -0.0259 869 GLU 82 OE2 -0.0034 -0.0030 -0.0258 870 GLU 82 H 0.0034 -0.0102 -0.0219 871 GLU 82 HA 0.0011 -0.0067 -0.0237 872 GLU 82 HB2 0.0001 -0.0072 -0.0235 873 GLU 82 HB3 0.0033 -0.0058 -0.0240 874 GLU 82 HG2 0.0018 -0.0019 -0.0260 875 GLU 82 HG3 -0.0013 -0.0033 -0.0255 876 GLU 83 N 0.0136 -0.0070 -0.0302 877 GLU 83 CA 0.0190 -0.0050 -0.0327 878 GLU 83 C 0.0248 -0.0042 -0.0293 879 GLU 83 O 0.0286 -0.0026 -0.0322 880 GLU 83 CB 0.0186 -0.0052 -0.0322 881 GLU 83 CG 0.0241 -0.0032 -0.0347 882 GLU 83 CD 0.0231 -0.0035 -0.0348 883 GLU 83 OE1 0.0237 -0.0044 -0.0300 884 GLU 83 OE2 0.0217 -0.0027 -0.0400 885 GLU 83 H 0.0131 -0.0081 -0.0257 886 GLU 83 HA 0.0190 -0.0040 -0.0375 887 GLU 83 HB2 0.0145 -0.0057 -0.0349 888 GLU 83 HB3 0.0182 -0.0064 -0.0274 889 GLU 83 HG2 0.0281 -0.0028 -0.0318 890 GLU 83 HG3 0.0247 -0.0020 -0.0394 891 ALA 84 N 0.0226 -0.0057 -0.0254 892 ALA 84 CA 0.0265 -0.0075 -0.0226 893 ALA 84 C 0.0205 -0.0128 -0.0213 894 ALA 84 O 0.0227 -0.0166 -0.0177 895 ALA 84 CB 0.0339 -0.0104 -0.0176 896 ALA 84 H 0.0221 -0.0091 -0.0232 897 ALA 84 HA 0.0283 -0.0027 -0.0253 898 ALA 84 HB1 0.0366 -0.0118 -0.0155 899 ALA 84 HB2 0.0322 -0.0151 -0.0150 900 ALA 84 HB3 0.0382 -0.0063 -0.0187 901 GLU 85 N 0.0111 -0.0151 -0.0251 902 GLU 85 CA 0.0055 -0.0178 -0.0220 903 GLU 85 C -0.0005 -0.0135 -0.0247 904 GLU 85 O -0.0035 -0.0123 -0.0253 905 GLU 85 CB 0.0045 -0.0223 -0.0179 906 GLU 85 CG -0.0005 -0.0261 -0.0139 907 GLU 85 CD -0.0080 -0.0240 -0.0146 908 GLU 85 OE1 -0.0114 -0.0244 -0.0137 909 GLU 85 OE2 -0.0107 -0.0219 -0.0159 910 GLU 85 H 0.0100 -0.0115 -0.0280 911 GLU 85 HA 0.0064 -0.0192 -0.0209 912 GLU 85 HB2 0.0094 -0.0245 -0.0167 913 GLU 85 HB3 0.0025 -0.0206 -0.0191 914 GLU 85 HG2 0.0011 -0.0263 -0.0139 915 GLU 85 HG3 0.0005 -0.0298 -0.0109 916 ARG 86 N -0.0082 -0.0053 -0.0528 917 ARG 86 CA -0.0017 -0.0051 -0.0430 918 ARG 86 C -0.0057 -0.0052 -0.0487 919 ARG 86 O -0.0180 -0.0035 -0.0558 920 ARG 86 CB -0.0054 -0.0010 -0.0254 921 ARG 86 CG -0.0224 0.0036 -0.0222 922 ARG 86 CD -0.0343 0.0056 -0.0267 923 ARG 86 NE -0.0502 0.0097 -0.0247 924 ARG 86 CZ -0.0633 0.0118 -0.0303 925 ARG 86 NH1 -0.0627 0.0103 -0.0379 926 ARG 86 NH2 -0.0769 0.0154 -0.0283 927 ARG 86 H -0.0194 -0.0030 -0.0551 928 ARG 86 HA 0.0108 -0.0082 -0.0437 929 ARG 86 HB2 -0.0029 -0.0005 -0.0190 930 ARG 86 HB3 0.0021 -0.0020 -0.0207 931 ARG 86 HG2 -0.0232 0.0060 -0.0098 932 ARG 86 HG3 -0.0252 0.0031 -0.0286 933 ARG 86 HD2 -0.0330 0.0031 -0.0388 934 ARG 86 HD3 -0.0323 0.0064 -0.0192 935 ARG 86 HE -0.0509 0.0109 -0.0188 936 ARG 86 HH11 -0.0528 0.0076 -0.0397 937 ARG 86 HH12 -0.0724 0.0119 -0.0421 938 ARG 86 HH21 -0.0777 0.0166 -0.0226 939 ARG 86 HH22 -0.0869 0.0170 -0.0324 940 ALA 87 N -0.0051 -0.0044 -0.0369 941 ALA 87 CA -0.0031 -0.0045 -0.0382 942 ALA 87 C -0.0039 -0.0056 -0.0317 943 ALA 87 O 0.0001 -0.0066 -0.0302 944 ALA 87 CB 0.0043 -0.0053 -0.0408 945 ALA 87 H -0.0018 -0.0054 -0.0345 946 ALA 87 HA -0.0062 -0.0031 -0.0420 947 ALA 87 HB1 0.0075 -0.0067 -0.0371 948 ALA 87 HB2 0.0048 -0.0045 -0.0455 949 ALA 87 HB3 0.0059 -0.0055 -0.0417 950 ALA 88 N -0.0049 -0.0048 -0.0311 951 ALA 88 CA -0.0056 -0.0116 -0.0236 952 ALA 88 C -0.0120 -0.0159 -0.0225 953 ALA 88 O -0.0200 -0.0191 -0.0237 954 ALA 88 CB -0.0084 -0.0144 -0.0221 955 ALA 88 H -0.0104 -0.0040 -0.0353 956 ALA 88 HA 0.0010 -0.0116 -0.0197 957 ALA 88 HB1 -0.0149 -0.0145 -0.0259 958 ALA 88 HB2 -0.0037 -0.0112 -0.0229 959 ALA 88 HB3 -0.0086 -0.0195 -0.0163 960 GLY 89 N 0.0131 -0.0177 -0.0143 961 GLY 89 CA 0.0134 -0.0273 -0.0112 962 GLY 89 C 0.0207 -0.0275 -0.0011 963 GLY 89 O 0.0248 -0.0275 0.0047 964 GLY 89 H 0.0170 -0.0113 -0.0108 965 GLY 89 HA2 0.0111 -0.0347 -0.0122 966 GLY 89 HA3 0.0106 -0.0270 -0.0151 967 MET 90 N 0.0508 -0.0341 0.0282 968 MET 90 CA 0.0315 -0.0366 0.0226 969 MET 90 C 0.0292 -0.0152 0.0072 970 MET 90 O 0.0174 -0.0039 -0.0050 971 MET 90 CB 0.0077 -0.0490 0.0220 972 MET 90 CG -0.0128 -0.0564 0.0193 973 MET 90 SD -0.0232 -0.0357 0.0012 974 MET 90 CE -0.0475 -0.0506 0.0021 975 MET 90 H 0.0643 -0.0407 0.0378 976 MET 90 HA 0.0369 -0.0454 0.0306 977 MET 90 HB2 0.0111 -0.0628 0.0327 978 MET 90 HB3 0.0015 -0.0391 0.0130 979 MET 90 HG2 -0.0066 -0.0663 0.0283 980 MET 90 HG3 -0.0275 -0.0658 0.0201 981 MET 90 HE1 -0.0410 -0.0614 0.0119 982 MET 90 HE2 -0.0558 -0.0401 -0.0082 983 MET 90 HE3 -0.0604 -0.0593 0.0032 984 GLY 91 N -0.0136 -0.0221 0.0327 985 GLY 91 CA -0.0244 -0.0145 0.0408 986 GLY 91 C -0.0328 -0.0001 0.0142 987 GLY 91 O -0.0536 0.0187 0.0134 988 GLY 91 H -0.0227 -0.0120 0.0251 989 GLY 91 HA2 -0.0120 -0.0275 0.0483 990 GLY 91 HA3 -0.0390 -0.0060 0.0586 991 SER 92 N 0.0142 0.0081 -0.0119 992 SER 92 CA 0.0174 0.0203 -0.0309 993 SER 92 C 0.0286 0.0116 -0.0382 994 SER 92 O 0.0421 -0.0039 -0.0413 995 SER 92 CB 0.0241 0.0242 -0.0457 996 SER 92 OG 0.0133 0.0323 -0.0383 997 SER 92 H 0.0230 -0.0046 -0.0110 998 SER 92 HA 0.0064 0.0338 -0.0292 999 SER 92 HB2 0.0352 0.0109 -0.0476 1000 SER 92 HB3 0.0260 0.0341 -0.0598 1001 SER 92 HG 0.0056 0.0308 -0.0245 1002 TYR 93 N 0.0025 0.0238 -0.0344 1003 TYR 93 CA 0.0067 0.0207 -0.0205 1004 TYR 93 C -0.0014 0.0233 -0.0330 1005 TYR 93 O -0.0144 0.0263 -0.0487 1006 TYR 93 CB -0.0066 0.0147 0.0009 1007 TYR 93 CG -0.0014 0.0107 0.0185 1008 TYR 93 CD1 0.0159 0.0081 0.0333 1009 TYR 93 CD2 -0.0137 0.0096 0.0204 1010 TYR 93 CE1 0.0209 0.0045 0.0493 1011 TYR 93 CE2 -0.0088 0.0060 0.0365 1012 TYR 93 CZ 0.0084 0.0034 0.0509 1013 TYR 93 OH 0.0134 -0.0002 0.0669 1014 TYR 93 H -0.0131 0.0237 -0.0376 1015 TYR 93 HA 0.0243 0.0208 -0.0169 1016 TYR 93 HB2 -0.0030 0.0133 0.0075 1017 TYR 93 HB3 -0.0242 0.0147 -0.0030 1018 TYR 93 HD1 0.0255 0.0090 0.0320 1019 TYR 93 HD2 -0.0272 0.0116 0.0090 1020 TYR 93 HE1 0.0344 0.0025 0.0607 1021 TYR 93 HE2 -0.0185 0.0051 0.0378 1022 TYR 93 HH 0.0144 0.0016 0.0598 1023 VAL 94 N -0.0031 -0.0019 0.0653 1024 VAL 94 CA 0.0261 0.0089 0.0779 1025 VAL 94 C 0.1231 0.0552 0.0728 1026 VAL 94 O 0.1543 0.0860 -0.0021 1027 VAL 94 CB -0.0253 -0.0008 0.0126 1028 VAL 94 CG1 -0.0222 0.0226 -0.0880 1029 VAL 94 CG2 0.0051 0.0093 0.0313 1030 VAL 94 H -0.0446 -0.0100 0.0136 1031 VAL 94 HA 0.0153 -0.0113 0.1477 1032 VAL 94 HB -0.0909 -0.0345 0.0272 1033 VAL 94 HG11 -0.0585 0.0148 -0.1297 1034 VAL 94 HG12 0.0430 0.0565 -0.1044 1035 VAL 94 HG13 -0.0489 0.0129 -0.1007 1036 VAL 94 HG21 0.0715 0.0426 0.0206 1037 VAL 94 HG22 -0.0310 0.0025 -0.0145 1038 VAL 94 HG23 -0.0038 -0.0100 0.1012