1 ASP 28 N 0.0146 -0.0200 -0.0313 2 ASP 28 CA 0.0083 -0.0144 -0.0156 3 ASP 28 C 0.0205 -0.0247 -0.0046 4 ASP 28 O 0.0301 -0.0332 -0.0137 5 ASP 28 CB -0.0028 -0.0049 -0.0238 6 ASP 28 CG -0.0099 0.0015 -0.0085 7 ASP 28 OD1 -0.0183 0.0088 0.0034 8 ASP 28 OD2 -0.0079 -0.0003 -0.0088 9 ASP 28 H 0.0065 -0.0131 -0.0393 10 ASP 28 HA 0.0027 -0.0094 -0.0060 11 ASP 28 HB2 -0.0114 0.0024 -0.0315 12 ASP 28 HB3 0.0029 -0.0099 -0.0338 13 PRO 29 N 0.0334 -0.0006 -0.0169 14 PRO 29 CA 0.0442 0.0016 -0.0171 15 PRO 29 C 0.0452 -0.0003 -0.0290 16 PRO 29 O 0.0362 -0.0028 -0.0330 17 PRO 29 CB 0.0419 0.0030 -0.0061 18 PRO 29 CG 0.0322 0.0024 0.0019 19 PRO 29 CD 0.0246 -0.0006 -0.0066 20 PRO 29 HA 0.0525 0.0035 -0.0159 21 PRO 29 HB2 0.0390 0.0018 -0.0096 22 PRO 29 HB3 0.0504 0.0055 -0.0012 23 PRO 29 HG2 0.0265 0.0020 0.0065 24 PRO 29 HG3 0.0365 0.0044 0.0087 25 PRO 29 HD2 0.0169 -0.0027 -0.0098 26 PRO 29 HD3 0.0215 -0.0004 -0.0018 27 ASN 30 N 0.0237 0.0053 -0.0166 28 ASN 30 CA 0.0266 0.0017 -0.0144 29 ASN 30 C 0.0248 0.0012 -0.0167 30 ASN 30 O 0.0254 0.0043 -0.0150 31 ASN 30 CB 0.0304 0.0039 -0.0091 32 ASN 30 CG 0.0337 0.0005 -0.0064 33 ASN 30 OD1 0.0362 -0.0039 -0.0049 34 ASN 30 ND2 0.0337 0.0025 -0.0057 35 ASN 30 H 0.0233 0.0037 -0.0176 36 ASN 30 HA 0.0274 -0.0027 -0.0150 37 ASN 30 HB2 0.0317 0.0036 -0.0077 38 ASN 30 HB3 0.0294 0.0085 -0.0088 39 ASN 30 HD21 0.0317 0.0061 -0.0069 40 ASN 30 HD22 0.0358 0.0003 -0.0040 41 ALA 31 N 0.0121 -0.0172 0.0143 42 ALA 31 CA 0.0104 -0.0174 0.0114 43 ALA 31 C 0.0127 -0.0170 0.0097 44 ALA 31 O 0.0129 -0.0170 0.0108 45 ALA 31 CB 0.0072 -0.0180 0.0125 46 ALA 31 H 0.0142 -0.0169 0.0151 47 ALA 31 HA 0.0098 -0.0175 0.0096 48 ALA 31 HB1 0.0060 -0.0182 0.0103 49 ALA 31 HB2 0.0078 -0.0180 0.0142 50 ALA 31 HB3 0.0056 -0.0183 0.0136 51 GLU 32 N 0.0085 -0.0084 -0.0041 52 GLU 32 CA 0.0109 -0.0144 -0.0125 53 GLU 32 C 0.0094 -0.0056 -0.0181 54 GLU 32 O 0.0110 -0.0076 -0.0273 55 GLU 32 CB 0.0125 -0.0244 -0.0063 56 GLU 32 CG 0.0105 -0.0208 0.0038 57 GLU 32 CD 0.0122 -0.0312 0.0093 58 GLU 32 OE1 0.0134 -0.0341 0.0048 59 GLU 32 OE2 0.0125 -0.0366 0.0180 60 GLU 32 H 0.0077 -0.0093 0.0044 61 GLU 32 HA 0.0124 -0.0178 -0.0192 62 GLU 32 HB2 0.0142 -0.0287 -0.0129 63 GLU 32 HB3 0.0134 -0.0304 -0.0026 64 GLU 32 HG2 0.0087 -0.0168 0.0108 65 GLU 32 HG3 0.0094 -0.0146 0.0002 66 PHE 33 N 0.0058 0.0202 -0.0095 67 PHE 33 CA 0.0015 0.0185 -0.0138 68 PHE 33 C -0.0036 0.0156 -0.0096 69 PHE 33 O -0.0039 0.0147 -0.0037 70 PHE 33 CB -0.0011 0.0179 -0.0191 71 PHE 33 CG -0.0035 0.0164 -0.0163 72 PHE 33 CD1 -0.0093 0.0133 -0.0141 73 PHE 33 CD2 0.0001 0.0181 -0.0158 74 PHE 33 CE1 -0.0115 0.0119 -0.0114 75 PHE 33 CE2 -0.0021 0.0167 -0.0131 76 PHE 33 CZ -0.0078 0.0136 -0.0109 77 PHE 33 H 0.0050 0.0195 -0.0078 78 PHE 33 HA 0.0036 0.0199 -0.0162 79 PHE 33 HB2 -0.0048 0.0164 -0.0219 80 PHE 33 HB3 0.0023 0.0200 -0.0225 81 PHE 33 HD1 -0.0122 0.0119 -0.0144 82 PHE 33 HD2 0.0046 0.0205 -0.0175 83 PHE 33 HE1 -0.0160 0.0095 -0.0097 84 PHE 33 HE2 0.0008 0.0181 -0.0128 85 PHE 33 HZ -0.0095 0.0126 -0.0088 86 ASP 34 N -0.0120 0.0149 -0.0108 87 ASP 34 CA -0.0184 0.0101 -0.0062 88 ASP 34 C -0.0251 0.0061 -0.0109 89 ASP 34 O -0.0257 0.0064 -0.0190 90 ASP 34 CB -0.0194 0.0095 -0.0063 91 ASP 34 CG -0.0256 0.0048 -0.0008 92 ASP 34 OD1 -0.0319 0.0008 -0.0036 93 ASP 34 OD2 -0.0241 0.0052 0.0066 94 ASP 34 H -0.0112 0.0160 -0.0164 95 ASP 34 HA -0.0178 0.0100 0.0004 96 ASP 34 HB2 -0.0145 0.0126 -0.0038 97 ASP 34 HB3 -0.0206 0.0093 -0.0130 98 PRO 35 N -0.0412 -0.0122 0.0014 99 PRO 35 CA -0.0578 -0.0166 -0.0033 100 PRO 35 C -0.0622 -0.0153 -0.0064 101 PRO 35 O -0.0759 -0.0192 -0.0102 102 PRO 35 CB -0.0621 -0.0316 0.0057 103 PRO 35 CG -0.0480 -0.0363 0.0161 104 PRO 35 CD -0.0343 -0.0241 0.0136 105 PRO 35 HA -0.0641 -0.0109 -0.0106 106 PRO 35 HB2 -0.0722 -0.0372 0.0050 107 PRO 35 HB3 -0.0644 -0.0323 0.0052 108 PRO 35 HG2 -0.0485 -0.0394 0.0181 109 PRO 35 HG3 -0.0474 -0.0449 0.0227 110 PRO 35 HD2 -0.0257 -0.0233 0.0172 111 PRO 35 HD3 -0.0293 -0.0249 0.0166 112 ASP 36 N -0.0409 0.0153 0.0054 113 ASP 36 CA -0.0483 0.0184 -0.0007 114 ASP 36 C -0.0468 0.0090 -0.0066 115 ASP 36 O -0.0493 0.0101 -0.0086 116 ASP 36 CB -0.0574 0.0226 -0.0078 117 ASP 36 CG -0.0653 0.0256 -0.0146 118 ASP 36 OD1 -0.0682 0.0339 -0.0111 119 ASP 36 OD2 -0.0690 0.0195 -0.0237 120 ASP 36 H -0.0407 0.0111 0.0022 121 ASP 36 HA -0.0485 0.0247 0.0042 122 ASP 36 HB2 -0.0585 0.0297 -0.0033 123 ASP 36 HB3 -0.0570 0.0166 -0.0123 124 LEU 37 N -0.0294 0.0014 -0.0101 125 LEU 37 CA -0.0290 -0.0011 -0.0116 126 LEU 37 C -0.0247 -0.0012 -0.0166 127 LEU 37 O -0.0218 0.0030 -0.0182 128 LEU 37 CB -0.0305 0.0019 -0.0086 129 LEU 37 CG -0.0352 0.0009 -0.0037 130 LEU 37 CD1 -0.0373 -0.0054 -0.0038 131 LEU 37 CD2 -0.0369 0.0033 -0.0006 132 LEU 37 H -0.0289 0.0056 -0.0090 133 LEU 37 HA -0.0309 -0.0054 -0.0112 134 LEU 37 HB2 -0.0291 0.0064 -0.0083 135 LEU 37 HB3 -0.0294 0.0007 -0.0104 136 LEU 37 HG -0.0357 0.0030 -0.0022 137 LEU 37 HD11 -0.0405 -0.0060 -0.0003 138 LEU 37 HD12 -0.0368 -0.0078 -0.0053 139 LEU 37 HD13 -0.0361 -0.0070 -0.0057 140 LEU 37 HD21 -0.0402 0.0024 0.0028 141 LEU 37 HD22 -0.0356 0.0078 -0.0003 142 LEU 37 HD23 -0.0364 0.0012 -0.0021 143 PRO 38 N -0.0175 -0.0054 -0.0068 144 PRO 38 CA -0.0106 -0.0078 -0.0102 145 PRO 38 C -0.0091 -0.0054 -0.0107 146 PRO 38 O -0.0135 -0.0066 -0.0088 147 PRO 38 CB -0.0113 -0.0166 -0.0110 148 PRO 38 CG -0.0172 -0.0182 -0.0084 149 PRO 38 CD -0.0222 -0.0119 -0.0054 150 PRO 38 HA -0.0064 -0.0056 -0.0119 151 PRO 38 HB2 -0.0124 -0.0190 -0.0107 152 PRO 38 HB3 -0.0064 -0.0188 -0.0134 153 PRO 38 HG2 -0.0198 -0.0237 -0.0079 154 PRO 38 HG3 -0.0153 -0.0182 -0.0093 155 PRO 38 HD2 -0.0260 -0.0134 -0.0038 156 PRO 38 HD3 -0.0248 -0.0106 -0.0041 157 GLY 39 N -0.0017 -0.0056 -0.0161 158 GLY 39 CA -0.0012 -0.0033 -0.0165 159 GLY 39 C -0.0038 0.0014 -0.0151 160 GLY 39 O -0.0050 0.0030 -0.0145 161 GLY 39 H 0.0006 -0.0052 -0.0175 162 GLY 39 HA2 0.0021 -0.0025 -0.0186 163 GLY 39 HA3 -0.0023 -0.0059 -0.0157 164 GLY 40 N -0.0120 0.0110 -0.0264 165 GLY 40 CA -0.0120 0.0139 -0.0227 166 GLY 40 C -0.0133 0.0142 -0.0195 167 GLY 40 O -0.0132 0.0169 -0.0164 168 GLY 40 H -0.0131 0.0085 -0.0269 169 GLY 40 HA2 -0.0130 0.0131 -0.0214 170 GLY 40 HA3 -0.0101 0.0168 -0.0237 171 GLY 41 N -0.0134 0.0046 -0.0139 172 GLY 41 CA -0.0157 0.0043 -0.0108 173 GLY 41 C -0.0149 0.0073 -0.0109 174 GLY 41 O -0.0166 0.0079 -0.0083 175 GLY 41 H -0.0125 0.0022 -0.0159 176 GLY 41 HA2 -0.0164 0.0009 -0.0108 177 GLY 41 HA3 -0.0172 0.0054 -0.0083 178 LEU 42 N -0.0068 0.0066 -0.0149 179 LEU 42 CA -0.0078 0.0094 -0.0149 180 LEU 42 C -0.0071 0.0053 -0.0142 181 LEU 42 O -0.0084 0.0069 -0.0136 182 LEU 42 CB -0.0048 0.0137 -0.0187 183 LEU 42 CG -0.0051 0.0182 -0.0198 184 LEU 42 CD1 -0.0019 0.0220 -0.0237 185 LEU 42 CD2 -0.0099 0.0215 -0.0169 186 LEU 42 H -0.0036 0.0061 -0.0174 187 LEU 42 HA -0.0112 0.0116 -0.0127 188 LEU 42 HB2 -0.0014 0.0114 -0.0209 189 LEU 42 HB3 -0.0056 0.0156 -0.0186 190 LEU 42 HG -0.0042 0.0162 -0.0200 191 LEU 42 HD11 -0.0022 0.0252 -0.0244 192 LEU 42 HD12 -0.0027 0.0240 -0.0236 193 LEU 42 HD13 0.0015 0.0197 -0.0258 194 LEU 42 HD21 -0.0109 0.0234 -0.0166 195 LEU 42 HD22 -0.0100 0.0246 -0.0178 196 LEU 42 HD23 -0.0121 0.0187 -0.0142 197 HIS 43 N 0.0003 -0.0081 -0.0070 198 HIS 43 CA 0.0007 -0.0105 -0.0052 199 HIS 43 C -0.0001 -0.0091 -0.0074 200 HIS 43 O 0.0009 -0.0057 -0.0067 201 HIS 43 CB 0.0031 -0.0099 -0.0009 202 HIS 43 CG 0.0042 -0.0108 0.0015 203 HIS 43 ND1 0.0043 -0.0149 0.0030 204 HIS 43 CD2 0.0054 -0.0081 0.0027 205 HIS 43 CE1 0.0054 -0.0147 0.0050 206 HIS 43 NE2 0.0061 -0.0106 0.0049 207 HIS 43 H 0.0007 -0.0049 -0.0072 208 HIS 43 HA -0.0001 -0.0139 -0.0056 209 HIS 43 HB2 0.0039 -0.0067 -0.0006 210 HIS 43 HB3 0.0033 -0.0121 0.0002 211 HIS 43 HD1 0.0035 -0.0176 0.0025 212 HIS 43 HD2 0.0057 -0.0047 0.0021 213 HIS 43 HE1 0.0057 -0.0174 0.0066 214 HIS 43 HE2 0.0067 -0.0097 0.0057 215 ARG 44 N 0.0029 -0.0001 0.0016 216 ARG 44 CA -0.0002 -0.0040 0.0037 217 ARG 44 C -0.0008 -0.0069 0.0040 218 ARG 44 O -0.0003 -0.0049 0.0037 219 ARG 44 CB -0.0042 -0.0017 0.0068 220 ARG 44 CG -0.0042 0.0024 0.0071 221 ARG 44 CD -0.0083 0.0047 0.0104 222 ARG 44 NE -0.0085 0.0089 0.0108 223 ARG 44 CZ -0.0120 0.0111 0.0135 224 ARG 44 NH1 -0.0154 0.0095 0.0160 225 ARG 44 NH2 -0.0119 0.0150 0.0137 226 ARG 44 H 0.0027 0.0023 0.0019 227 ARG 44 HA 0.0005 -0.0064 0.0030 228 ARG 44 HB2 -0.0053 -0.0004 0.0078 229 ARG 44 HB3 -0.0062 -0.0048 0.0082 230 ARG 44 HG2 -0.0034 0.0009 0.0064 231 ARG 44 HG3 -0.0020 0.0052 0.0056 232 ARG 44 HD2 -0.0091 0.0058 0.0110 233 ARG 44 HD3 -0.0104 0.0017 0.0118 234 ARG 44 HE -0.0059 0.0102 0.0089 235 ARG 44 HH11 -0.0156 0.0066 0.0160 236 ARG 44 HH12 -0.0180 0.0111 0.0181 237 ARG 44 HH21 -0.0094 0.0163 0.0119 238 ARG 44 HH22 -0.0144 0.0167 0.0158 239 CYS 45 N 0.0074 0.0019 0.0085 240 CYS 45 CA 0.0085 0.0031 0.0069 241 CYS 45 C 0.0095 0.0029 0.0071 242 CYS 45 O 0.0084 0.0027 0.0074 243 CYS 45 CB 0.0070 0.0042 0.0053 244 CYS 45 SG 0.0082 0.0056 0.0033 245 CYS 45 H 0.0061 0.0017 0.0088 246 CYS 45 HA 0.0097 0.0031 0.0067 247 CYS 45 HB2 0.0065 0.0043 0.0051 248 CYS 45 HB3 0.0056 0.0040 0.0056 249 LEU 46 N 0.0087 -0.0023 0.0060 250 LEU 46 CA 0.0104 -0.0020 -0.0045 251 LEU 46 C 0.0132 0.0048 -0.0071 252 LEU 46 O 0.0161 0.0100 -0.0141 253 LEU 46 CB 0.0076 -0.0118 -0.0090 254 LEU 46 CG 0.0048 -0.0190 -0.0074 255 LEU 46 CD1 0.0020 -0.0286 -0.0114 256 LEU 46 CD2 0.0065 -0.0161 -0.0121 257 LEU 46 H 0.0061 -0.0082 0.0092 258 LEU 46 HA 0.0117 0.0005 -0.0075 259 LEU 46 HB2 0.0062 -0.0143 -0.0059 260 LEU 46 HB3 0.0089 -0.0114 -0.0167 261 LEU 46 HG 0.0036 -0.0191 0.0004 262 LEU 46 HD11 0.0006 -0.0309 -0.0075 263 LEU 46 HD12 0.0001 -0.0336 -0.0105 264 LEU 46 HD13 0.0033 -0.0283 -0.0191 265 LEU 46 HD21 0.0083 -0.0096 -0.0087 266 LEU 46 HD22 0.0080 -0.0154 -0.0199 267 LEU 46 HD23 0.0045 -0.0215 -0.0111 268 ALA 47 N 0.0150 -0.0046 -0.0056 269 ALA 47 CA 0.0158 -0.0023 -0.0062 270 ALA 47 C 0.0170 0.0018 -0.0055 271 ALA 47 O 0.0179 0.0042 -0.0067 272 ALA 47 CB 0.0151 -0.0034 -0.0036 273 ALA 47 H 0.0142 -0.0064 -0.0036 274 ALA 47 HA 0.0160 -0.0027 -0.0091 275 ALA 47 HB1 0.0157 -0.0017 -0.0041 276 ALA 47 HB2 0.0149 -0.0030 -0.0006 277 ALA 47 HB3 0.0143 -0.0063 -0.0041 278 CYS 48 N 0.0104 0.0075 0.0075 279 CYS 48 CA 0.0065 0.0069 0.0078 280 CYS 48 C 0.0056 0.0049 0.0113 281 CYS 48 O 0.0026 0.0043 0.0118 282 CYS 48 CB 0.0039 0.0073 0.0062 283 CYS 48 SG 0.0043 0.0096 0.0020 284 CYS 48 H 0.0114 0.0071 0.0085 285 CYS 48 HA 0.0061 0.0075 0.0064 286 CYS 48 HB2 0.0043 0.0070 0.0069 287 CYS 48 HB3 0.0011 0.0069 0.0065 288 ALA 49 N -0.0056 0.0003 0.0052 289 ALA 49 CA -0.0072 -0.0020 0.0130 290 ALA 49 C -0.0124 -0.0047 0.0129 291 ALA 49 O -0.0159 -0.0075 0.0184 292 ALA 49 CB -0.0099 -0.0041 0.0171 293 ALA 49 H -0.0008 0.0030 0.0040 294 ALA 49 HA -0.0024 0.0000 0.0160 295 ALA 49 HB1 -0.0147 -0.0061 0.0142 296 ALA 49 HB2 -0.0061 -0.0021 0.0171 297 ALA 49 HB3 -0.0107 -0.0056 0.0230 298 ARG 50 N -0.0093 -0.0046 0.0163 299 ARG 50 CA -0.0103 -0.0058 0.0149 300 ARG 50 C -0.0082 -0.0039 0.0148 301 ARG 50 O -0.0058 -0.0019 0.0140 302 ARG 50 CB -0.0113 -0.0073 0.0112 303 ARG 50 CG -0.0136 -0.0094 0.0111 304 ARG 50 CD -0.0145 -0.0108 0.0073 305 ARG 50 NE -0.0167 -0.0128 0.0072 306 ARG 50 CZ -0.0177 -0.0142 0.0041 307 ARG 50 NH1 -0.0167 -0.0139 0.0010 308 ARG 50 NH2 -0.0196 -0.0160 0.0042 309 ARG 50 H -0.0079 -0.0037 0.0147 310 ARG 50 HA -0.0120 -0.0070 0.0168 311 ARG 50 HB2 -0.0096 -0.0061 0.0094 312 ARG 50 HB3 -0.0120 -0.0081 0.0103 313 ARG 50 HG2 -0.0153 -0.0107 0.0129 314 ARG 50 HG3 -0.0130 -0.0087 0.0120 315 ARG 50 HD2 -0.0128 -0.0096 0.0055 316 ARG 50 HD3 -0.0152 -0.0116 0.0065 317 ARG 50 HE -0.0174 -0.0131 0.0095 318 ARG 50 HH11 -0.0153 -0.0126 0.0008 319 ARG 50 HH12 -0.0175 -0.0149 -0.0013 320 ARG 50 HH21 -0.0204 -0.0163 0.0065 321 ARG 50 HH22 -0.0204 -0.0170 0.0019 322 TYR 51 N -0.0156 -0.0154 0.0037 323 TYR 51 CA -0.0134 -0.0112 0.0014 324 TYR 51 C -0.0092 -0.0130 -0.0022 325 TYR 51 O -0.0080 -0.0164 -0.0030 326 TYR 51 CB -0.0142 -0.0083 0.0019 327 TYR 51 CG -0.0184 -0.0067 0.0054 328 TYR 51 CD1 -0.0208 -0.0099 0.0079 329 TYR 51 CD2 -0.0199 -0.0020 0.0064 330 TYR 51 CE1 -0.0246 -0.0084 0.0111 331 TYR 51 CE2 -0.0237 -0.0006 0.0096 332 TYR 51 CZ -0.0260 -0.0038 0.0120 333 TYR 51 OH -0.0298 -0.0024 0.0152 334 TYR 51 H -0.0156 -0.0173 0.0039 335 TYR 51 HA -0.0141 -0.0086 0.0018 336 TYR 51 HB2 -0.0133 -0.0108 0.0013 337 TYR 51 HB3 -0.0125 -0.0050 0.0001 338 TYR 51 HD1 -0.0197 -0.0135 0.0072 339 TYR 51 HD2 -0.0180 0.0005 0.0045 340 TYR 51 HE1 -0.0265 -0.0110 0.0130 341 TYR 51 HE2 -0.0248 0.0031 0.0103 342 TYR 51 HH -0.0304 -0.0034 0.0158 343 PHE 52 N 0.0041 -0.0069 0.0004 344 PHE 52 CA 0.0026 -0.0063 0.0014 345 PHE 52 C 0.0010 -0.0079 0.0005 346 PHE 52 O 0.0003 -0.0092 -0.0005 347 PHE 52 CB 0.0012 -0.0051 0.0030 348 PHE 52 CG 0.0027 -0.0035 0.0040 349 PHE 52 CD1 0.0036 -0.0035 0.0036 350 PHE 52 CD2 0.0031 -0.0019 0.0053 351 PHE 52 CE1 0.0050 -0.0020 0.0046 352 PHE 52 CE2 0.0044 -0.0004 0.0062 353 PHE 52 CZ 0.0053 -0.0004 0.0059 354 PHE 52 H 0.0035 -0.0074 0.0001 355 PHE 52 HA 0.0036 -0.0056 0.0017 356 PHE 52 HB2 0.0002 -0.0058 0.0026 357 PHE 52 HB3 0.0001 -0.0047 0.0037 358 PHE 52 HD1 0.0033 -0.0047 0.0026 359 PHE 52 HD2 0.0023 -0.0019 0.0056 360 PHE 52 HE1 0.0057 -0.0020 0.0043 361 PHE 52 HE2 0.0047 0.0008 0.0073 362 PHE 52 HZ 0.0064 0.0007 0.0066 363 ILE 53 N 0.0069 -0.0135 0.0040 364 ILE 53 CA 0.0063 -0.0137 0.0015 365 ILE 53 C 0.0022 -0.0147 0.0020 366 ILE 53 O 0.0006 -0.0150 -0.0009 367 ILE 53 CB 0.0094 -0.0129 0.0023 368 ILE 53 CG1 0.0094 -0.0130 0.0069 369 ILE 53 CG2 0.0135 -0.0119 0.0010 370 ILE 53 CD1 0.0123 -0.0123 0.0079 371 ILE 53 H 0.0090 -0.0131 0.0061 372 ILE 53 HA 0.0067 -0.0135 -0.0016 373 ILE 53 HB 0.0086 -0.0131 0.0005 374 ILE 53 HG12 0.0101 -0.0129 0.0087 375 ILE 53 HG13 0.0065 -0.0137 0.0076 376 ILE 53 HG21 0.0143 -0.0117 0.0026 377 ILE 53 HG22 0.0134 -0.0119 -0.0022 378 ILE 53 HG23 0.0156 -0.0114 0.0017 379 ILE 53 HD11 0.0115 -0.0125 0.0062 380 ILE 53 HD12 0.0121 -0.0124 0.0111 381 ILE 53 HD13 0.0152 -0.0116 0.0072 382 ASP 54 N 0.0025 -0.0128 0.0121 383 ASP 54 CA -0.0004 -0.0196 0.0157 384 ASP 54 C 0.0025 -0.0184 0.0122 385 ASP 54 O 0.0050 -0.0105 0.0090 386 ASP 54 CB -0.0076 -0.0175 0.0243 387 ASP 54 CG -0.0111 -0.0246 0.0287 388 ASP 54 OD1 -0.0127 -0.0327 0.0307 389 ASP 54 OD2 -0.0124 -0.0221 0.0302 390 ASP 54 H 0.0041 -0.0065 0.0100 391 ASP 54 HA 0.0004 -0.0270 0.0149 392 ASP 54 HB2 -0.0095 -0.0180 0.0266 393 ASP 54 HB3 -0.0084 -0.0100 0.0251 394 SER 55 N 0.0076 -0.0201 0.0230 395 SER 55 CA 0.0139 -0.0191 0.0161 396 SER 55 C 0.0091 -0.0102 0.0144 397 SER 55 O 0.0129 -0.0049 0.0069 398 SER 55 CB 0.0188 -0.0294 0.0187 399 SER 55 OG 0.0248 -0.0288 0.0124 400 SER 55 H 0.0067 -0.0265 0.0285 401 SER 55 HA 0.0189 -0.0174 0.0100 402 SER 55 HB2 0.0227 -0.0350 0.0190 403 SER 55 HB3 0.0140 -0.0319 0.0252 404 SER 55 HG 0.0216 -0.0267 0.0140 405 THR 56 N 0.0046 -0.0131 0.0189 406 THR 56 CA -0.0028 -0.0021 0.0163 407 THR 56 C -0.0035 0.0086 0.0105 408 THR 56 O -0.0024 0.0186 0.0041 409 THR 56 CB -0.0160 -0.0036 0.0238 410 THR 56 OG1 -0.0151 -0.0145 0.0297 411 THR 56 CG2 -0.0234 0.0071 0.0213 412 THR 56 H 0.0004 -0.0197 0.0249 413 THR 56 HA 0.0017 -0.0002 0.0130 414 THR 56 HB -0.0205 -0.0043 0.0265 415 THR 56 HG1 -0.0137 -0.0211 0.0328 416 THR 56 HG21 -0.0326 0.0058 0.0267 417 THR 56 HG22 -0.0186 0.0080 0.0184 418 THR 56 HG23 -0.0241 0.0153 0.0169 419 ASN 57 N -0.0010 -0.0019 0.0176 420 ASN 57 CA 0.0001 0.0065 0.0137 421 ASN 57 C 0.0074 0.0078 0.0061 422 ASN 57 O 0.0085 0.0155 0.0025 423 ASN 57 CB -0.0012 0.0063 0.0150 424 ASN 57 CG -0.0088 0.0094 0.0215 425 ASN 57 OD1 -0.0113 0.0176 0.0213 426 ASN 57 ND2 -0.0126 0.0031 0.0272 427 ASN 57 H -0.0015 -0.0069 0.0196 428 ASN 57 HA -0.0035 0.0122 0.0153 429 ASN 57 HB2 0.0005 -0.0008 0.0157 430 ASN 57 HB3 0.0019 0.0104 0.0107 431 ASN 57 HD21 -0.0106 -0.0035 0.0274 432 ASN 57 HD22 -0.0175 0.0051 0.0314 433 LEU 58 N 0.0076 0.0045 0.0020 434 LEU 58 CA 0.0104 0.0049 0.0006 435 LEU 58 C 0.0116 0.0067 -0.0015 436 LEU 58 O 0.0123 0.0084 -0.0035 437 LEU 58 CB 0.0128 0.0025 0.0021 438 LEU 58 CG 0.0162 0.0025 0.0009 439 LEU 58 CD1 0.0180 0.0029 -0.0000 440 LEU 58 CD2 0.0164 0.0044 -0.0009 441 LEU 58 H 0.0075 0.0029 0.0036 442 LEU 58 HA 0.0099 0.0058 -0.0000 443 LEU 58 HB2 0.0120 0.0016 0.0033 444 LEU 58 HB3 0.0128 0.0015 0.0031 445 LEU 58 HG 0.0174 0.0009 0.0021 446 LEU 58 HD11 0.0204 0.0029 -0.0008 447 LEU 58 HD12 0.0169 0.0045 -0.0013 448 LEU 58 HD13 0.0180 0.0014 0.0014 449 LEU 58 HD21 0.0153 0.0061 -0.0022 450 LEU 58 HD22 0.0188 0.0043 -0.0017 451 LEU 58 HD23 0.0152 0.0040 -0.0002 452 LYS 59 N 0.0173 0.0173 0.0018 453 LYS 59 CA 0.0200 0.0232 -0.0036 454 LYS 59 C 0.0153 0.0236 -0.0100 455 LYS 59 O 0.0172 0.0274 -0.0133 456 LYS 59 CB 0.0227 0.0267 -0.0055 457 LYS 59 CG 0.0178 0.0247 -0.0087 458 LYS 59 CD 0.0209 0.0281 -0.0098 459 LYS 59 CE 0.0241 0.0343 -0.0152 460 LYS 59 NZ 0.0195 0.0351 -0.0222 461 LYS 59 H 0.0167 0.0157 0.0036 462 LYS 59 HA 0.0239 0.0250 -0.0014 463 LYS 59 HB2 0.0250 0.0310 -0.0092 464 LYS 59 HB3 0.0261 0.0265 -0.0009 465 LYS 59 HG2 0.0153 0.0204 -0.0051 466 LYS 59 HG3 0.0144 0.0252 -0.0135 467 LYS 59 HD2 0.0246 0.0279 -0.0050 468 LYS 59 HD3 0.0174 0.0263 -0.0114 469 LYS 59 HE2 0.0276 0.0362 -0.0137 470 LYS 59 HE3 0.0265 0.0365 -0.0155 471 LYS 59 HZ1 0.0163 0.0336 -0.0239 472 LYS 59 HZ2 0.0218 0.0394 -0.0256 473 LYS 59 HZ3 0.0169 0.0331 -0.0224 474 THR 60 N 0.0122 0.0208 -0.0054 475 THR 60 CA 0.0117 0.0248 -0.0038 476 THR 60 C 0.0154 0.0274 -0.0050 477 THR 60 O 0.0158 0.0309 -0.0040 478 THR 60 CB 0.0097 0.0247 -0.0027 479 THR 60 OG1 0.0063 0.0223 -0.0016 480 THR 60 CG2 0.0093 0.0287 -0.0011 481 THR 60 H 0.0115 0.0186 -0.0057 482 THR 60 HA 0.0101 0.0259 -0.0025 483 THR 60 HB 0.0114 0.0234 -0.0041 484 THR 60 HG1 0.0066 0.0196 -0.0027 485 THR 60 HG21 0.0079 0.0285 -0.0004 486 THR 60 HG22 0.0077 0.0300 0.0003 487 THR 60 HG23 0.0118 0.0305 -0.0019 488 HIS 61 N 0.0136 0.0162 -0.0033 489 HIS 61 CA 0.0136 0.0156 -0.0021 490 HIS 61 C 0.0133 0.0161 -0.0012 491 HIS 61 O 0.0133 0.0155 -0.0003 492 HIS 61 CB 0.0135 0.0154 -0.0016 493 HIS 61 CG 0.0134 0.0151 -0.0002 494 HIS 61 ND1 0.0135 0.0140 0.0004 495 HIS 61 CD2 0.0131 0.0159 0.0008 496 HIS 61 CE1 0.0133 0.0141 0.0016 497 HIS 61 NE2 0.0131 0.0152 0.0019 498 HIS 61 H 0.0135 0.0167 -0.0036 499 HIS 61 HA 0.0138 0.0146 -0.0023 500 HIS 61 HB2 0.0137 0.0147 -0.0021 501 HIS 61 HB3 0.0134 0.0163 -0.0018 502 HIS 61 HD1 0.0138 0.0132 -0.0001 503 HIS 61 HD2 0.0129 0.0169 0.0007 504 HIS 61 HE1 0.0134 0.0135 0.0024 505 PHE 62 N 0.0154 0.0177 -0.0009 506 PHE 62 CA 0.0149 0.0189 0.0010 507 PHE 62 C 0.0142 0.0201 0.0029 508 PHE 62 O 0.0135 0.0212 0.0046 509 PHE 62 CB 0.0130 0.0190 0.0004 510 PHE 62 CG 0.0134 0.0177 -0.0016 511 PHE 62 CD1 0.0156 0.0171 -0.0018 512 PHE 62 CD2 0.0115 0.0171 -0.0033 513 PHE 62 CE1 0.0160 0.0159 -0.0037 514 PHE 62 CE2 0.0118 0.0160 -0.0052 515 PHE 62 CZ 0.0140 0.0154 -0.0054 516 PHE 62 H 0.0140 0.0173 -0.0021 517 PHE 62 HA 0.0167 0.0188 0.0016 518 PHE 62 HB2 0.0111 0.0193 0.0003 519 PHE 62 HB3 0.0132 0.0197 0.0018 520 PHE 62 HD1 0.0171 0.0176 -0.0004 521 PHE 62 HD2 0.0097 0.0176 -0.0032 522 PHE 62 HE1 0.0178 0.0155 -0.0037 523 PHE 62 HE2 0.0102 0.0156 -0.0066 524 PHE 62 HZ 0.0142 0.0145 -0.0070 525 ARG 63 N 0.0189 0.0274 0.0093 526 ARG 63 CA 0.0206 0.0247 0.0148 527 ARG 63 C 0.0244 0.0199 0.0231 528 ARG 63 O 0.0266 0.0170 0.0283 529 ARG 63 CB 0.0259 0.0240 0.0093 530 ARG 63 CG 0.0214 0.0287 0.0021 531 ARG 63 CD 0.0270 0.0278 -0.0033 532 ARG 63 NE 0.0297 0.0245 0.0024 533 ARG 63 CZ 0.0335 0.0237 -0.0006 534 ARG 63 NH1 0.0346 0.0262 -0.0094 535 ARG 63 NH2 0.0361 0.0205 0.0051 536 ARG 63 H 0.0227 0.0275 0.0036 537 ARG 63 HA 0.0143 0.0269 0.0172 538 ARG 63 HB2 0.0318 0.0223 0.0060 539 ARG 63 HB3 0.0275 0.0216 0.0138 540 ARG 63 HG2 0.0156 0.0303 0.0054 541 ARG 63 HG3 0.0196 0.0311 -0.0024 542 ARG 63 HD2 0.0233 0.0313 -0.0081 543 ARG 63 HD3 0.0325 0.0263 -0.0068 544 ARG 63 HE 0.0288 0.0227 0.0089 545 ARG 63 HH11 0.0326 0.0288 -0.0140 546 ARG 63 HH12 0.0375 0.0257 -0.0119 547 ARG 63 HH21 0.0352 0.0186 0.0118 548 ARG 63 HH22 0.0390 0.0197 0.0032 549 SER 64 N 0.0194 0.0195 0.0275 550 SER 64 CA 0.0181 0.0179 0.0278 551 SER 64 C 0.0138 0.0142 0.0277 552 SER 64 O 0.0100 0.0151 0.0253 553 SER 64 CB 0.0170 0.0216 0.0251 554 SER 64 OG 0.0206 0.0256 0.0245 555 SER 64 H 0.0183 0.0221 0.0255 556 SER 64 HA 0.0209 0.0167 0.0299 557 SER 64 HB2 0.0139 0.0223 0.0230 558 SER 64 HB3 0.0167 0.0206 0.0255 559 SER 64 HG 0.0232 0.0252 0.0261 560 LYS 65 N 0.0096 0.0148 0.0450 561 LYS 65 CA 0.0250 0.0071 0.0283 562 LYS 65 C 0.0124 0.0073 0.0199 563 LYS 65 O 0.0254 0.0038 0.0165 564 LYS 65 CB 0.0350 -0.0011 0.0059 565 LYS 65 CG 0.0151 -0.0015 -0.0102 566 LYS 65 CD -0.0047 -0.0014 -0.0246 567 LYS 65 CE -0.0237 -0.0018 -0.0399 568 LYS 65 NZ -0.0441 -0.0013 -0.0529 569 LYS 65 H 0.0043 0.0145 0.0400 570 LYS 65 HA 0.0414 0.0070 0.0401 571 LYS 65 HB2 0.0438 -0.0063 -0.0067 572 LYS 65 HB3 0.0495 -0.0020 0.0132 573 LYS 65 HG2 0.0250 -0.0072 -0.0237 574 LYS 65 HG3 0.0055 0.0038 0.0021 575 LYS 65 HD2 -0.0149 0.0042 -0.0115 576 LYS 65 HD3 0.0051 -0.0069 -0.0371 577 LYS 65 HE2 -0.0135 -0.0077 -0.0538 578 LYS 65 HE3 -0.0322 0.0033 -0.0275 579 LYS 65 HZ1 -0.0367 -0.0061 -0.0651 580 LYS 65 HZ2 -0.0548 0.0044 -0.0402 581 LYS 65 HZ3 -0.0564 -0.0017 -0.0636 582 ASP 66 N 0.0107 0.0033 0.0230 583 ASP 66 CA 0.0026 0.0033 0.0187 584 ASP 66 C 0.0025 0.0068 0.0280 585 ASP 66 O 0.0010 0.0060 0.0251 586 ASP 66 CB -0.0106 0.0048 0.0156 587 ASP 66 CG -0.0189 0.0040 0.0089 588 ASP 66 OD1 -0.0192 -0.0002 -0.0022 589 ASP 66 OD2 -0.0253 0.0074 0.0146 590 ASP 66 H 0.0068 0.0049 0.0252 591 ASP 66 HA 0.0064 -0.0005 0.0107 592 ASP 66 HB2 -0.0100 0.0027 0.0102 593 ASP 66 HB3 -0.0147 0.0087 0.0238 594 HIS 67 N 0.0105 0.0110 0.0280 595 HIS 67 CA 0.0094 0.0116 0.0240 596 HIS 67 C 0.0057 0.0097 0.0232 597 HIS 67 O 0.0042 0.0096 0.0210 598 HIS 67 CB 0.0107 0.0127 0.0226 599 HIS 67 CG 0.0100 0.0135 0.0187 600 HIS 67 ND1 0.0099 0.0142 0.0162 601 HIS 67 CD2 0.0104 0.0142 0.0169 602 HIS 67 CE1 0.0105 0.0154 0.0131 603 HIS 67 NE2 0.0108 0.0155 0.0134 604 HIS 67 H 0.0117 0.0113 0.0294 605 HIS 67 HA 0.0103 0.0125 0.0226 606 HIS 67 HB2 0.0134 0.0141 0.0230 607 HIS 67 HB3 0.0097 0.0118 0.0239 608 HIS 67 HD1 0.0096 0.0139 0.0166 609 HIS 67 HD2 0.0100 0.0136 0.0183 610 HIS 67 HE1 0.0106 0.0162 0.0106 611 LYS 68 N 0.0126 0.0039 0.0169 612 LYS 68 CA 0.0090 0.0054 0.0168 613 LYS 68 C 0.0076 0.0055 0.0206 614 LYS 68 O 0.0050 0.0065 0.0210 615 LYS 68 CB 0.0075 0.0061 0.0156 616 LYS 68 CG 0.0092 0.0059 0.0120 617 LYS 68 CD 0.0076 0.0066 0.0109 618 LYS 68 CE 0.0084 0.0060 0.0137 619 LYS 68 NZ 0.0072 0.0066 0.0127 620 LYS 68 H 0.0137 0.0035 0.0168 621 LYS 68 HA 0.0084 0.0058 0.0149 622 LYS 68 HB2 0.0080 0.0057 0.0177 623 LYS 68 HB3 0.0048 0.0072 0.0153 624 LYS 68 HG2 0.0091 0.0062 0.0098 625 LYS 68 HG3 0.0119 0.0048 0.0122 626 LYS 68 HD2 0.0049 0.0077 0.0107 627 LYS 68 HD3 0.0088 0.0065 0.0083 628 LYS 68 HE2 0.0112 0.0048 0.0140 629 LYS 68 HE3 0.0072 0.0062 0.0163 630 LYS 68 HZ1 0.0045 0.0077 0.0124 631 LYS 68 HZ2 0.0078 0.0061 0.0146 632 LYS 68 HZ3 0.0084 0.0064 0.0102 633 LYS 69 N 0.0148 -0.0006 0.0281 634 LYS 69 CA 0.0130 -0.0035 0.0189 635 LYS 69 C 0.0079 -0.0010 0.0158 636 LYS 69 O 0.0091 -0.0046 0.0103 637 LYS 69 CB 0.0089 -0.0019 0.0155 638 LYS 69 CG 0.0044 -0.0028 0.0063 639 LYS 69 CD 0.0002 -0.0000 0.0049 640 LYS 69 CE -0.0050 -0.0001 -0.0039 641 LYS 69 NZ -0.0090 0.0030 -0.0042 642 LYS 69 H 0.0136 0.0017 0.0307 643 LYS 69 HA 0.0179 -0.0086 0.0167 644 LYS 69 HB2 0.0129 -0.0047 0.0164 645 LYS 69 HB3 0.0052 0.0030 0.0195 646 LYS 69 HG2 0.0007 -0.0001 0.0055 647 LYS 69 HG3 0.0080 -0.0077 0.0021 648 LYS 69 HD2 0.0043 -0.0028 0.0060 649 LYS 69 HD3 -0.0029 0.0048 0.0097 650 LYS 69 HE2 -0.0090 0.0024 -0.0053 651 LYS 69 HE3 -0.0019 -0.0049 -0.0086 652 LYS 69 HZ1 -0.0129 0.0032 -0.0102 653 LYS 69 HZ2 -0.0119 0.0076 0.0005 654 LYS 69 HZ3 -0.0053 0.0007 -0.0028 655 ARG 70 N 0.0076 -0.0057 0.0132 656 ARG 70 CA 0.0029 -0.0025 0.0093 657 ARG 70 C 0.0083 -0.0065 0.0127 658 ARG 70 O 0.0077 -0.0077 0.0069 659 ARG 70 CB -0.0052 0.0065 0.0137 660 ARG 70 CG -0.0110 0.0103 0.0089 661 ARG 70 CD -0.0134 0.0086 -0.0036 662 ARG 70 NE -0.0186 0.0119 -0.0085 663 ARG 70 CZ -0.0188 0.0089 -0.0185 664 ARG 70 NH1 -0.0139 0.0023 -0.0248 665 ARG 70 NH2 -0.0238 0.0124 -0.0222 666 ARG 70 H 0.0059 -0.0022 0.0191 667 ARG 70 HA 0.0014 -0.0039 0.0004 668 ARG 70 HB2 -0.0086 0.0091 0.0123 669 ARG 70 HB3 -0.0034 0.0076 0.0224 670 ARG 70 HG2 -0.0166 0.0166 0.0122 671 ARG 70 HG3 -0.0077 0.0079 0.0111 672 ARG 70 HD2 -0.0078 0.0023 -0.0069 673 ARG 70 HD3 -0.0169 0.0111 -0.0057 674 ARG 70 HE -0.0223 0.0168 -0.0039 675 ARG 70 HH11 -0.0101 -0.0005 -0.0225 676 ARG 70 HH12 -0.0139 -0.0001 -0.0324 677 ARG 70 HH21 -0.0275 0.0173 -0.0176 678 ARG 70 HH22 -0.0241 0.0103 -0.0296 679 LEU 71 N 0.0087 -0.0066 0.0098 680 LEU 71 CA 0.0062 -0.0075 0.0071 681 LEU 71 C 0.0032 -0.0078 0.0085 682 LEU 71 O 0.0019 -0.0083 0.0067 683 LEU 71 CB 0.0047 -0.0080 0.0058 684 LEU 71 CG 0.0074 -0.0078 0.0042 685 LEU 71 CD1 0.0055 -0.0084 0.0028 686 LEU 71 CD2 0.0097 -0.0080 0.0013 687 LEU 71 H 0.0089 -0.0065 0.0107 688 LEU 71 HA 0.0075 -0.0077 0.0049 689 LEU 71 HB2 0.0033 -0.0079 0.0080 690 LEU 71 HB3 0.0028 -0.0087 0.0038 691 LEU 71 HG 0.0090 -0.0072 0.0063 692 LEU 71 HD11 0.0037 -0.0091 0.0007 693 LEU 71 HD12 0.0039 -0.0083 0.0049 694 LEU 71 HD13 0.0074 -0.0083 0.0017 695 LEU 71 HD21 0.0112 -0.0075 0.0024 696 LEU 71 HD22 0.0081 -0.0086 -0.0008 697 LEU 71 HD23 0.0115 -0.0078 0.0002 698 LYS 72 N -0.0020 -0.0024 0.0072 699 LYS 72 CA -0.0069 -0.0146 0.0057 700 LYS 72 C -0.0209 -0.0181 0.0002 701 LYS 72 O -0.0292 -0.0214 -0.0030 702 LYS 72 CB 0.0020 -0.0272 0.0098 703 LYS 72 CG -0.0020 -0.0405 0.0087 704 LYS 72 CD 0.0077 -0.0521 0.0131 705 LYS 72 CE 0.0039 -0.0654 0.0121 706 LYS 72 NZ 0.0136 -0.0767 0.0164 707 LYS 72 H 0.0056 -0.0035 0.0103 708 LYS 72 HA -0.0067 -0.0121 0.0057 709 LYS 72 HB2 0.0119 -0.0245 0.0137 710 LYS 72 HB3 0.0019 -0.0295 0.0099 711 LYS 72 HG2 -0.0115 -0.0440 0.0050 712 LYS 72 HG3 -0.0025 -0.0383 0.0085 713 LYS 72 HD2 0.0172 -0.0486 0.0168 714 LYS 72 HD3 0.0081 -0.0544 0.0133 715 LYS 72 HE2 -0.0054 -0.0691 0.0085 716 LYS 72 HE3 0.0031 -0.0629 0.0117 717 LYS 72 HZ1 0.0145 -0.0793 0.0169 718 LYS 72 HZ2 0.0227 -0.0734 0.0200 719 LYS 72 HZ3 0.0107 -0.0856 0.0156 720 GLN 73 N 0.0205 -0.0152 -0.0022 721 GLN 73 CA 0.0189 -0.0141 -0.0083 722 GLN 73 C 0.0200 -0.0152 -0.0011 723 GLN 73 O 0.0247 -0.0160 -0.0044 724 GLN 73 CB 0.0080 -0.0107 -0.0133 725 GLN 73 CG 0.0063 -0.0094 -0.0211 726 GLN 73 CD -0.0047 -0.0060 -0.0255 727 GLN 73 OE1 -0.0123 -0.0046 -0.0201 728 GLN 73 NE2 -0.0057 -0.0047 -0.0353 729 GLN 73 H 0.0146 -0.0138 -0.0008 730 GLN 73 HA 0.0248 -0.0149 -0.0147 731 GLN 73 HB2 0.0021 -0.0099 -0.0069 732 GLN 73 HB3 0.0070 -0.0099 -0.0175 733 GLN 73 HG2 0.0119 -0.0101 -0.0278 734 GLN 73 HG3 0.0076 -0.0102 -0.0170 735 GLN 73 HE21 0.0007 -0.0059 -0.0391 736 GLN 73 HE22 -0.0126 -0.0025 -0.0385 737 LEU 74 N 0.0287 -0.0056 0.0163 738 LEU 74 CA 0.0343 -0.0147 0.0243 739 LEU 74 C 0.0399 -0.0136 0.0274 740 LEU 74 O 0.0467 -0.0191 0.0345 741 LEU 74 CB 0.0265 -0.0265 0.0249 742 LEU 74 CG 0.0312 -0.0372 0.0332 743 LEU 74 CD1 0.0397 -0.0366 0.0384 744 LEU 74 CD2 0.0224 -0.0481 0.0327 745 LEU 74 H 0.0209 -0.0074 0.0121 746 LEU 74 HA 0.0404 -0.0138 0.0279 747 LEU 74 HB2 0.0221 -0.0265 0.0221 748 LEU 74 HB3 0.0210 -0.0269 0.0216 749 LEU 74 HG 0.0350 -0.0375 0.0358 750 LEU 74 HD11 0.0428 -0.0443 0.0440 751 LEU 74 HD12 0.0362 -0.0360 0.0358 752 LEU 74 HD13 0.0462 -0.0291 0.0390 753 LEU 74 HD21 0.0185 -0.0479 0.0300 754 LEU 74 HD22 0.0258 -0.0555 0.0385 755 LEU 74 HD23 0.0166 -0.0486 0.0292 756 SER 75 N 0.0224 -0.0141 0.0251 757 SER 75 CA 0.0209 -0.0035 0.0242 758 SER 75 C 0.0114 -0.0248 0.0145 759 SER 75 O 0.0136 -0.0237 0.0166 760 SER 75 CB 0.0418 0.0063 0.0438 761 SER 75 OG 0.0406 0.0183 0.0431 762 SER 75 H 0.0125 -0.0074 0.0163 763 SER 75 HA 0.0103 0.0138 0.0153 764 SER 75 HB2 0.0475 0.0214 0.0496 765 SER 75 HB3 0.0523 -0.0110 0.0526 766 SER 75 HG 0.0481 0.0349 0.0508 767 VAL 76 N 0.0053 -0.0197 0.0016 768 VAL 76 CA 0.0028 -0.0257 -0.0070 769 VAL 76 C -0.0081 -0.0241 -0.0100 770 VAL 76 O -0.0120 -0.0268 -0.0152 771 VAL 76 CB 0.0067 -0.0290 -0.0092 772 VAL 76 CG1 0.0039 -0.0352 -0.0182 773 VAL 76 CG2 0.0175 -0.0307 -0.0064 774 VAL 76 H 0.0085 -0.0179 0.0052 775 VAL 76 HA 0.0060 -0.0292 -0.0099 776 VAL 76 HB 0.0036 -0.0254 -0.0062 777 VAL 76 HG11 0.0067 -0.0374 -0.0196 778 VAL 76 HG12 0.0068 -0.0388 -0.0213 779 VAL 76 HG13 -0.0039 -0.0338 -0.0201 780 VAL 76 HG21 0.0202 -0.0329 -0.0079 781 VAL 76 HG22 0.0194 -0.0262 0.0000 782 VAL 76 HG23 0.0208 -0.0343 -0.0092 783 GLU 77 N -0.0180 -0.0054 -0.0163 784 GLU 77 CA -0.0244 -0.0053 -0.0165 785 GLU 77 C -0.0274 -0.0050 -0.0081 786 GLU 77 O -0.0238 -0.0049 -0.0039 787 GLU 77 CB -0.0223 -0.0054 -0.0212 788 GLU 77 CG -0.0147 -0.0056 -0.0188 789 GLU 77 CD -0.0132 -0.0057 -0.0234 790 GLU 77 OE1 -0.0109 -0.0060 -0.0303 791 GLU 77 OE2 -0.0143 -0.0056 -0.0200 792 GLU 77 H -0.0142 -0.0054 -0.0119 793 GLU 77 HA -0.0292 -0.0052 -0.0195 794 GLU 77 HB2 -0.0271 -0.0053 -0.0203 795 GLU 77 HB3 -0.0220 -0.0056 -0.0275 796 GLU 77 HG2 -0.0098 -0.0057 -0.0198 797 GLU 77 HG3 -0.0150 -0.0054 -0.0125 798 PRO 78 N -0.0381 0.0134 -0.0104 799 PRO 78 CA -0.0407 0.0083 -0.0028 800 PRO 78 C -0.0337 0.0144 -0.0160 801 PRO 78 O -0.0375 0.0292 -0.0262 802 PRO 78 CB -0.0588 0.0173 0.0078 803 PRO 78 CG -0.0649 0.0223 0.0094 804 PRO 78 CD -0.0530 0.0253 -0.0060 805 PRO 78 HA -0.0355 -0.0050 0.0045 806 PRO 78 HB2 -0.0628 0.0279 0.0018 807 PRO 78 HB3 -0.0623 0.0088 0.0195 808 PRO 78 HG2 -0.0764 0.0335 0.0107 809 PRO 78 HG3 -0.0658 0.0124 0.0198 810 PRO 78 HD2 -0.0556 0.0379 -0.0154 811 PRO 78 HD3 -0.0527 0.0226 -0.0038 812 TYR 79 N -0.0177 -0.0038 -0.0279 813 TYR 79 CA -0.0061 -0.0040 -0.0279 814 TYR 79 C -0.0117 0.0014 -0.0138 815 TYR 79 O -0.0054 0.0069 0.0009 816 TYR 79 CB 0.0144 -0.0041 -0.0275 817 TYR 79 CG 0.0206 -0.0101 -0.0430 818 TYR 79 CD1 0.0202 -0.0102 -0.0432 819 TYR 79 CD2 0.0267 -0.0156 -0.0573 820 TYR 79 CE1 0.0257 -0.0156 -0.0573 821 TYR 79 CE2 0.0323 -0.0211 -0.0715 822 TYR 79 CZ 0.0317 -0.0211 -0.0715 823 TYR 79 OH 0.0371 -0.0266 -0.0857 824 TYR 79 H -0.0264 -0.0073 -0.0373 825 TYR 79 HA -0.0093 -0.0085 -0.0397 826 TYR 79 HB2 0.0174 0.0001 -0.0163 827 TYR 79 HB3 0.0219 -0.0040 -0.0270 828 TYR 79 HD1 0.0155 -0.0059 -0.0321 829 TYR 79 HD2 0.0271 -0.0156 -0.0573 830 TYR 79 HE1 0.0253 -0.0156 -0.0572 831 TYR 79 HE2 0.0370 -0.0254 -0.0826 832 TYR 79 HH 0.0311 -0.0301 -0.0952 833 SER 80 N -0.0270 0.0045 -0.0026 834 SER 80 CA -0.0249 0.0049 -0.0046 835 SER 80 C -0.0244 0.0048 -0.0041 836 SER 80 O -0.0262 0.0045 -0.0027 837 SER 80 CB -0.0220 0.0048 -0.0040 838 SER 80 OG -0.0198 0.0052 -0.0060 839 SER 80 H -0.0264 0.0041 -0.0006 840 SER 80 HA -0.0256 0.0054 -0.0067 841 SER 80 HB2 -0.0225 0.0048 -0.0041 842 SER 80 HB3 -0.0213 0.0043 -0.0018 843 SER 80 HG -0.0203 0.0056 -0.0077 844 GLN 81 N -0.0215 0.0154 -0.0000 845 GLN 81 CA -0.0144 0.0151 0.0015 846 GLN 81 C -0.0111 0.0085 0.0077 847 GLN 81 O -0.0119 0.0056 0.0100 848 GLN 81 CB -0.0074 0.0206 -0.0018 849 GLN 81 CG -0.0004 0.0211 -0.0009 850 GLN 81 CD 0.0069 0.0261 -0.0038 851 GLN 81 OE1 0.0090 0.0275 -0.0045 852 GLN 81 NE2 0.0109 0.0289 -0.0054 853 GLN 81 H -0.0212 0.0182 -0.0023 854 GLN 81 HA -0.0165 0.0155 0.0008 855 GLN 81 HB2 -0.0100 0.0252 -0.0062 856 GLN 81 HB3 -0.0047 0.0198 -0.0006 857 GLN 81 HG2 0.0019 0.0164 0.0035 858 GLN 81 HG3 -0.0030 0.0223 -0.0024 859 GLN 81 HE21 0.0088 0.0276 -0.0046 860 GLN 81 HE22 0.0157 0.0321 -0.0072 861 GLU 82 N -0.0099 0.0138 0.0013 862 GLU 82 CA -0.0078 0.0103 0.0077 863 GLU 82 C -0.0144 0.0077 0.0121 864 GLU 82 O -0.0140 0.0046 0.0177 865 GLU 82 CB -0.0011 0.0090 0.0102 866 GLU 82 CG 0.0017 0.0055 0.0167 867 GLU 82 CD 0.0083 0.0046 0.0185 868 GLU 82 OE1 0.0078 0.0037 0.0202 869 GLU 82 OE2 0.0144 0.0049 0.0182 870 GLU 82 H -0.0109 0.0155 -0.0018 871 GLU 82 HA -0.0065 0.0105 0.0073 872 GLU 82 HB2 0.0033 0.0109 0.0069 873 GLU 82 HB3 -0.0025 0.0090 0.0102 874 GLU 82 HG2 -0.0025 0.0035 0.0202 875 GLU 82 HG3 0.0029 0.0055 0.0168 876 GLU 83 N -0.0208 0.0074 0.0041 877 GLU 83 CA -0.0138 0.0001 -0.0053 878 GLU 83 C -0.0057 -0.0103 0.0001 879 GLU 83 O -0.0001 -0.0172 0.0015 880 GLU 83 CB -0.0153 0.0033 -0.0180 881 GLU 83 CG -0.0083 -0.0039 -0.0287 882 GLU 83 CD -0.0106 0.0002 -0.0412 883 GLU 83 OE1 -0.0104 0.0001 -0.0426 884 GLU 83 OE2 -0.0126 0.0036 -0.0500 885 GLU 83 H -0.0216 0.0080 0.0083 886 GLU 83 HA -0.0134 -0.0002 -0.0072 887 GLU 83 HB2 -0.0209 0.0105 -0.0215 888 GLU 83 HB3 -0.0161 0.0041 -0.0159 889 GLU 83 HG2 -0.0028 -0.0109 -0.0257 890 GLU 83 HG3 -0.0070 -0.0053 -0.0302 891 ALA 84 N -0.0112 0.0020 -0.0071 892 ALA 84 CA -0.0075 -0.0032 -0.0043 893 ALA 84 C -0.0090 -0.0037 0.0028 894 ALA 84 O -0.0069 -0.0071 0.0061 895 ALA 84 CB -0.0056 -0.0046 -0.0071 896 ALA 84 H -0.0131 0.0045 -0.0077 897 ALA 84 HA -0.0052 -0.0055 -0.0055 898 ALA 84 HB1 -0.0029 -0.0084 -0.0049 899 ALA 84 HB2 -0.0079 -0.0021 -0.0062 900 ALA 84 HB3 -0.0043 -0.0045 -0.0121 901 GLU 85 N -0.0198 0.0058 0.0033 902 GLU 85 CA -0.0161 0.0086 0.0051 903 GLU 85 C -0.0125 0.0081 0.0085 904 GLU 85 O -0.0114 0.0107 0.0081 905 GLU 85 CB -0.0159 0.0140 0.0021 906 GLU 85 CG -0.0126 0.0172 0.0034 907 GLU 85 CD -0.0081 0.0186 0.0066 908 GLU 85 OE1 -0.0067 0.0224 0.0057 909 GLU 85 OE2 -0.0059 0.0160 0.0101 910 GLU 85 H -0.0193 0.0046 0.0044 911 GLU 85 HA -0.0160 0.0070 0.0060 912 GLU 85 HB2 -0.0190 0.0141 -0.0006 913 GLU 85 HB3 -0.0154 0.0157 0.0017 914 GLU 85 HG2 -0.0129 0.0145 0.0046 915 GLU 85 HG3 -0.0135 0.0203 0.0009 916 ARG 86 N -0.0193 0.0105 0.0130 917 ARG 86 CA -0.0223 0.0100 0.0079 918 ARG 86 C -0.0197 0.0100 0.0107 919 ARG 86 O -0.0132 0.0094 0.0144 920 ARG 86 CB -0.0206 0.0074 -0.0011 921 ARG 86 CG -0.0119 0.0051 -0.0027 922 ARG 86 CD -0.0053 0.0041 -0.0005 923 ARG 86 NE 0.0028 0.0021 -0.0015 924 ARG 86 CZ 0.0098 0.0012 0.0013 925 ARG 86 NH1 0.0100 0.0020 0.0051 926 ARG 86 NH2 0.0167 -0.0006 0.0003 927 ARG 86 H -0.0134 0.0095 0.0142 928 ARG 86 HA -0.0288 0.0115 0.0083 929 ARG 86 HB2 -0.0216 0.0068 -0.0044 930 ARG 86 HB3 -0.0248 0.0078 -0.0034 931 ARG 86 HG2 -0.0116 0.0035 -0.0091 932 ARG 86 HG3 -0.0107 0.0056 0.0007 933 ARG 86 HD2 -0.0058 0.0057 0.0057 934 ARG 86 HD3 -0.0061 0.0034 -0.0044 935 ARG 86 HE 0.0028 0.0013 -0.0045 936 ARG 86 HH11 0.0050 0.0034 0.0060 937 ARG 86 HH12 0.0152 0.0014 0.0073 938 ARG 86 HH21 0.0168 -0.0013 -0.0025 939 ARG 86 HH22 0.0221 -0.0013 0.0024 940 ALA 87 N -0.0115 0.0125 -0.0038 941 ALA 87 CA 0.0025 0.0116 -0.0162 942 ALA 87 C 0.0043 0.0013 -0.0067 943 ALA 87 O 0.0187 -0.0083 -0.0100 944 ALA 87 CB 0.0195 0.0035 -0.0238 945 ALA 87 H -0.0087 0.0028 0.0042 946 ALA 87 HA -0.0009 0.0238 -0.0265 947 ALA 87 HB1 0.0226 -0.0086 -0.0135 948 ALA 87 HB2 0.0180 0.0109 -0.0305 949 ALA 87 HB3 0.0300 0.0024 -0.0327 950 ALA 88 N -0.0087 0.0048 -0.0070 951 ALA 88 CA -0.0080 0.0028 -0.0079 952 ALA 88 C -0.0069 0.0040 -0.0081 953 ALA 88 O -0.0081 0.0043 -0.0074 954 ALA 88 CB -0.0102 0.0009 -0.0073 955 ALA 88 H -0.0095 0.0061 -0.0062 956 ALA 88 HA -0.0068 0.0018 -0.0088 957 ALA 88 HB1 -0.0115 0.0018 -0.0063 958 ALA 88 HB2 -0.0110 0.0001 -0.0071 959 ALA 88 HB3 -0.0097 -0.0006 -0.0080 960 GLY 89 N 0.0044 0.0024 -0.0128 961 GLY 89 CA -0.0176 0.0061 -0.0128 962 GLY 89 C -0.0040 0.0069 -0.0189 963 GLY 89 O 0.0145 -0.0035 -0.0047 964 GLY 89 H 0.0241 0.0033 -0.0213 965 GLY 89 HA2 -0.0293 -0.0017 0.0064 966 GLY 89 HA3 -0.0325 0.0162 -0.0276 967 MET 90 N 0.0002 -0.0043 -0.0014 968 MET 90 CA -0.0008 -0.0045 -0.0011 969 MET 90 C -0.0022 -0.0043 0.0011 970 MET 90 O -0.0014 -0.0035 0.0029 971 MET 90 CB 0.0011 -0.0041 -0.0014 972 MET 90 CG 0.0002 -0.0044 -0.0016 973 MET 90 SD -0.0015 -0.0042 0.0008 974 MET 90 CE -0.0019 -0.0045 -0.0000 975 MET 90 H -0.0002 -0.0048 -0.0027 976 MET 90 HA -0.0019 -0.0052 -0.0025 977 MET 90 HB2 0.0022 -0.0042 -0.0028 978 MET 90 HB3 0.0020 -0.0034 0.0001 979 MET 90 HG2 -0.0007 -0.0051 -0.0030 980 MET 90 HG3 0.0017 -0.0040 -0.0019 981 MET 90 HE1 -0.0027 -0.0052 -0.0016 982 MET 90 HE2 -0.0029 -0.0044 0.0013 983 MET 90 HE3 -0.0003 -0.0041 -0.0002 984 GLY 91 N 0.0001 -0.0088 0.0046 985 GLY 91 CA 0.0033 -0.0097 0.0013 986 GLY 91 C 0.0072 -0.0081 0.0019 987 GLY 91 O 0.0105 -0.0069 0.0023 988 GLY 91 H 0.0008 -0.0072 0.0072 989 GLY 91 HA2 0.0021 -0.0115 -0.0012 990 GLY 91 HA3 0.0040 -0.0097 0.0008 991 SER 92 N -0.0005 -0.0151 0.0182 992 SER 92 CA -0.0009 -0.0103 0.0091 993 SER 92 C 0.0052 -0.0142 0.0106 994 SER 92 O 0.0154 -0.0197 0.0108 995 SER 92 CB 0.0043 -0.0072 -0.0023 996 SER 92 OG -0.0016 -0.0035 -0.0035 997 SER 92 H 0.0070 -0.0194 0.0190 998 SER 92 HA -0.0097 -0.0057 0.0092 999 SER 92 HB2 0.0131 -0.0117 -0.0025 1000 SER 92 HB3 0.0035 -0.0033 -0.0093 1001 SER 92 HG -0.0063 -0.0049 0.0040 1002 TYR 93 N -0.0076 0.0153 -0.0309 1003 TYR 93 CA -0.0021 0.0118 -0.0319 1004 TYR 93 C -0.0039 0.0209 -0.0465 1005 TYR 93 O -0.0121 0.0302 -0.0525 1006 TYR 93 CB -0.0103 0.0104 -0.0178 1007 TYR 93 CG -0.0044 0.0051 -0.0161 1008 TYR 93 CD1 0.0054 -0.0063 -0.0084 1009 TYR 93 CD2 -0.0088 0.0115 -0.0221 1010 TYR 93 CE1 0.0108 -0.0113 -0.0067 1011 TYR 93 CE2 -0.0034 0.0066 -0.0204 1012 TYR 93 CZ 0.0064 -0.0047 -0.0128 1013 TYR 93 OH 0.0118 -0.0096 -0.0112 1014 TYR 93 H -0.0175 0.0219 -0.0294 1015 TYR 93 HA 0.0086 0.0039 -0.0322 1016 TYR 93 HB2 -0.0106 0.0052 -0.0077 1017 TYR 93 HB3 -0.0207 0.0185 -0.0185 1018 TYR 93 HD1 0.0089 -0.0114 -0.0036 1019 TYR 93 HD2 -0.0165 0.0205 -0.0281 1020 TYR 93 HE1 0.0185 -0.0202 -0.0007 1021 TYR 93 HE2 -0.0068 0.0117 -0.0252 1022 TYR 93 HH 0.0146 -0.0063 -0.0212 1023 VAL 94 N 0.0209 -0.0132 0.0736 1024 VAL 94 CA 0.0060 -0.0020 0.0418 1025 VAL 94 C -0.0132 0.0314 0.0464 1026 VAL 94 O -0.0213 0.0491 0.0567 1027 VAL 94 CB 0.0049 -0.0109 0.0163 1028 VAL 94 CG1 0.0019 -0.0005 0.0297 1029 VAL 94 CG2 -0.0104 0.0001 -0.0170 1030 VAL 94 H 0.0276 -0.0224 0.0780 1031 VAL 94 HA 0.0096 -0.0122 0.0319 1032 VAL 94 HB 0.0182 -0.0346 0.0121 1033 VAL 94 HG11 0.0013 -0.0072 0.0113 1034 VAL 94 HG12 -0.0110 0.0232 0.0352 1035 VAL 94 HG13 0.0135 -0.0100 0.0521 1036 VAL 94 HG21 -0.0238 0.0237 -0.0133 1037 VAL 94 HG22 -0.0109 -0.0062 -0.0340 1038 VAL 94 HG23 -0.0072 -0.0094 -0.0274