1 ASP 28 N -0.0152 -0.0185 -0.0237 2 ASP 28 CA 0.0068 -0.0085 -0.0131 3 ASP 28 C 0.0221 -0.0162 -0.0043 4 ASP 28 O 0.0217 -0.0380 -0.0024 5 ASP 28 CB 0.0146 -0.0174 -0.0081 6 ASP 28 CG 0.0372 -0.0076 0.0029 7 ASP 28 OD1 0.0403 0.0149 0.0024 8 ASP 28 OD2 0.0519 -0.0223 0.0120 9 ASP 28 H -0.0260 -0.0137 -0.0299 10 ASP 28 HA 0.0062 0.0113 -0.0152 11 ASP 28 HB2 0.0036 -0.0116 -0.0144 12 ASP 28 HB3 0.0147 -0.0372 -0.0062 13 PRO 29 N 0.0041 -0.0156 -0.0237 14 PRO 29 CA 0.0510 -0.0055 -0.0253 15 PRO 29 C 0.0756 -0.0331 -0.0540 16 PRO 29 O 0.0651 -0.0473 -0.0637 17 PRO 29 CB 0.0594 0.0258 -0.0006 18 PRO 29 CG 0.0164 0.0378 0.0189 19 PRO 29 CD -0.0171 0.0071 0.0002 20 PRO 29 HA 0.0614 0.0010 -0.0221 21 PRO 29 HB2 0.0727 0.0183 -0.0098 22 PRO 29 HB3 0.0827 0.0447 0.0104 23 PRO 29 HG2 0.0145 0.0491 0.0289 24 PRO 29 HG3 0.0120 0.0560 0.0353 25 PRO 29 HD2 -0.0247 -0.0042 -0.0078 26 PRO 29 HD3 -0.0458 0.0142 0.0124 27 ASN 30 N 0.0316 -0.0337 0.0655 28 ASN 30 CA 0.0077 -0.0017 0.0359 29 ASN 30 C 0.0020 0.0221 0.0191 30 ASN 30 O -0.0319 0.0143 0.0093 31 ASN 30 CB -0.0357 -0.0188 0.0277 32 ASN 30 CG -0.0643 0.0120 -0.0032 33 ASN 30 OD1 -0.0604 0.0316 -0.0134 34 ASN 30 ND2 -0.0935 0.0158 -0.0181 35 ASN 30 H 0.0562 -0.0348 0.0767 36 ASN 30 HA 0.0274 0.0194 0.0315 37 ASN 30 HB2 -0.0282 -0.0317 0.0387 38 ASN 30 HB3 -0.0514 -0.0428 0.0354 39 ASN 30 HD21 -0.0958 -0.0013 -0.0087 40 ASN 30 HD22 -0.1119 0.0357 -0.0380 41 ALA 31 N 0.0004 0.0630 -0.0266 42 ALA 31 CA 0.0017 0.0489 -0.0160 43 ALA 31 C -0.0076 0.0541 -0.0018 44 ALA 31 O -0.0143 0.0555 0.0108 45 ALA 31 CB 0.0047 0.0358 -0.0098 46 ALA 31 H -0.0063 0.0734 -0.0226 47 ALA 31 HA 0.0076 0.0435 -0.0231 48 ALA 31 HB1 0.0059 0.0253 -0.0025 49 ALA 31 HB2 -0.0011 0.0409 -0.0026 50 ALA 31 HB3 0.0113 0.0320 -0.0200 51 GLU 32 N -0.0103 0.0320 0.0060 52 GLU 32 CA -0.0249 0.0240 0.0159 53 GLU 32 C -0.0159 0.0194 0.0303 54 GLU 32 O -0.0252 0.0136 0.0381 55 GLU 32 CB -0.0354 0.0179 0.0240 56 GLU 32 CG -0.0232 0.0147 0.0368 57 GLU 32 CD -0.0348 0.0083 0.0447 58 GLU 32 OE1 -0.0422 0.0001 0.0587 59 GLU 32 OE2 -0.0367 0.0114 0.0373 60 GLU 32 H -0.0058 0.0316 0.0091 61 GLU 32 HA -0.0344 0.0262 0.0066 62 GLU 32 HB2 -0.0463 0.0121 0.0310 63 GLU 32 HB3 -0.0416 0.0214 0.0132 64 GLU 32 HG2 -0.0125 0.0204 0.0298 65 GLU 32 HG3 -0.0166 0.0114 0.0473 66 PHE 33 N -0.0197 -0.0286 0.0143 67 PHE 33 CA -0.0169 -0.0303 0.0174 68 PHE 33 C -0.0163 -0.0234 0.0130 69 PHE 33 O -0.0170 -0.0170 0.0081 70 PHE 33 CB -0.0086 -0.0315 0.0239 71 PHE 33 CG -0.0024 -0.0246 0.0233 72 PHE 33 CD1 0.0021 -0.0178 0.0215 73 PHE 33 CD2 -0.0011 -0.0249 0.0244 74 PHE 33 CE1 0.0077 -0.0115 0.0209 75 PHE 33 CE2 0.0044 -0.0186 0.0237 76 PHE 33 CZ 0.0088 -0.0119 0.0220 77 PHE 33 H -0.0160 -0.0247 0.0141 78 PHE 33 HA -0.0212 -0.0358 0.0183 79 PHE 33 HB2 -0.0062 -0.0320 0.0258 80 PHE 33 HB3 -0.0092 -0.0369 0.0272 81 PHE 33 HD1 0.0012 -0.0174 0.0207 82 PHE 33 HD2 -0.0045 -0.0302 0.0257 83 PHE 33 HE1 0.0111 -0.0062 0.0196 84 PHE 33 HE2 0.0054 -0.0190 0.0246 85 PHE 33 HZ 0.0132 -0.0070 0.0215 86 ASP 34 N -0.0009 -0.0293 0.0028 87 ASP 34 CA 0.0027 -0.0213 -0.0024 88 ASP 34 C 0.0039 -0.0132 0.0051 89 ASP 34 O 0.0030 -0.0115 0.0123 90 ASP 34 CB 0.0050 -0.0181 -0.0091 91 ASP 34 CG 0.0087 -0.0105 -0.0155 92 ASP 34 OD1 0.0106 -0.0024 -0.0119 93 ASP 34 OD2 0.0097 -0.0126 -0.0242 94 ASP 34 H -0.0014 -0.0291 0.0057 95 ASP 34 HA 0.0028 -0.0233 -0.0066 96 ASP 34 HB2 0.0039 -0.0241 -0.0136 97 ASP 34 HB3 0.0050 -0.0155 -0.0046 98 PRO 35 N 0.0129 -0.0194 0.0092 99 PRO 35 CA 0.0024 -0.0140 0.0136 100 PRO 35 C 0.0048 -0.0014 0.0104 101 PRO 35 O -0.0034 0.0037 0.0136 102 PRO 35 CB -0.0002 -0.0261 0.0168 103 PRO 35 CG 0.0124 -0.0329 0.0116 104 PRO 35 CD 0.0198 -0.0311 0.0077 105 PRO 35 HA -0.0056 -0.0113 0.0171 106 PRO 35 HB2 -0.0047 -0.0224 0.0184 107 PRO 35 HB3 -0.0061 -0.0328 0.0207 108 PRO 35 HG2 0.0167 -0.0280 0.0087 109 PRO 35 HG3 0.0116 -0.0436 0.0137 110 PRO 35 HD2 0.0292 -0.0288 0.0027 111 PRO 35 HD3 0.0197 -0.0402 0.0092 112 ASP 36 N 0.0602 0.1081 -0.0659 113 ASP 36 CA 0.0434 0.0352 -0.0467 114 ASP 36 C 0.0448 -0.0397 -0.0359 115 ASP 36 O 0.0666 -0.1097 -0.0353 116 ASP 36 CB -0.0336 0.0477 -0.0123 117 ASP 36 CG -0.0554 -0.0273 0.0095 118 ASP 36 OD1 -0.0234 -0.0437 -0.0030 119 ASP 36 OD2 -0.1061 -0.0714 0.0402 120 ASP 36 H 0.0200 0.1349 -0.0511 121 ASP 36 HA 0.0869 0.0259 -0.0658 122 ASP 36 HB2 -0.0313 0.0997 -0.0214 123 ASP 36 HB3 -0.0766 0.0623 0.0057 124 LEU 37 N 0.0104 -0.0047 -0.0188 125 LEU 37 CA 0.0090 -0.0073 -0.0144 126 LEU 37 C 0.0092 -0.0088 -0.0092 127 LEU 37 O 0.0076 -0.0099 -0.0096 128 LEU 37 CB 0.0041 -0.0104 -0.0162 129 LEU 37 CG 0.0036 -0.0095 -0.0201 130 LEU 37 CD1 0.0067 -0.0080 -0.0175 131 LEU 37 CD2 0.0046 -0.0068 -0.0258 132 LEU 37 H 0.0081 -0.0055 -0.0214 133 LEU 37 HA 0.0114 -0.0057 -0.0134 134 LEU 37 HB2 0.0019 -0.0114 -0.0182 135 LEU 37 HB3 0.0029 -0.0126 -0.0125 136 LEU 37 HG 0.0000 -0.0120 -0.0206 137 LEU 37 HD11 0.0062 -0.0074 -0.0203 138 LEU 37 HD12 0.0103 -0.0054 -0.0168 139 LEU 37 HD13 0.0057 -0.0100 -0.0136 140 LEU 37 HD21 0.0042 -0.0062 -0.0283 141 LEU 37 HD22 0.0022 -0.0080 -0.0277 142 LEU 37 HD23 0.0081 -0.0043 -0.0253 143 PRO 38 N 0.0118 -0.0089 -0.0137 144 PRO 38 CA 0.0108 -0.0086 -0.0132 145 PRO 38 C 0.0044 -0.0060 -0.0125 146 PRO 38 O 0.0012 -0.0051 -0.0086 147 PRO 38 CB 0.0140 -0.0104 -0.0073 148 PRO 38 CG 0.0183 -0.0122 -0.0063 149 PRO 38 CD 0.0155 -0.0109 -0.0088 150 PRO 38 HA 0.0127 -0.0089 -0.0173 151 PRO 38 HB2 0.0109 -0.0095 -0.0034 152 PRO 38 HB3 0.0162 -0.0112 -0.0080 153 PRO 38 HG2 0.0191 -0.0130 -0.0014 154 PRO 38 HG3 0.0223 -0.0136 -0.0090 155 PRO 38 HD2 0.0129 -0.0102 -0.0051 156 PRO 38 HD3 0.0188 -0.0120 -0.0107 157 GLY 39 N 0.0006 -0.0063 -0.0095 158 GLY 39 CA -0.0053 -0.0040 -0.0092 159 GLY 39 C -0.0071 -0.0046 -0.0121 160 GLY 39 O -0.0111 -0.0025 -0.0108 161 GLY 39 H 0.0016 -0.0078 -0.0123 162 GLY 39 HA2 -0.0079 -0.0039 -0.0112 163 GLY 39 HA3 -0.0059 -0.0020 -0.0049 164 GLY 40 N -0.0043 -0.0152 -0.0016 165 GLY 40 CA -0.0047 -0.0158 -0.0032 166 GLY 40 C -0.0046 -0.0157 -0.0032 167 GLY 40 O -0.0052 -0.0162 -0.0044 168 GLY 40 H -0.0032 -0.0149 -0.0017 169 GLY 40 HA2 -0.0039 -0.0158 -0.0042 170 GLY 40 HA3 -0.0060 -0.0162 -0.0034 171 GLY 41 N -0.0048 -0.0039 -0.0095 172 GLY 41 CA -0.0041 -0.0031 -0.0073 173 GLY 41 C -0.0064 -0.0012 -0.0064 174 GLY 41 O -0.0062 -0.0004 -0.0047 175 GLY 41 H -0.0045 -0.0040 -0.0093 176 GLY 41 HA2 -0.0028 -0.0029 -0.0057 177 GLY 41 HA3 -0.0031 -0.0040 -0.0078 178 LEU 42 N -0.0142 0.0019 -0.0005 179 LEU 42 CA -0.0115 0.0060 -0.0014 180 LEU 42 C -0.0119 0.0109 -0.0053 181 LEU 42 O -0.0093 0.0148 -0.0061 182 LEU 42 CB -0.0135 0.0050 -0.0022 183 LEU 42 CG -0.0134 0.0002 0.0014 184 LEU 42 CD1 -0.0156 -0.0004 0.0001 185 LEU 42 CD2 -0.0083 0.0003 0.0055 186 LEU 42 H -0.0177 0.0002 -0.0020 187 LEU 42 HA -0.0078 0.0064 0.0013 188 LEU 42 HB2 -0.0172 0.0047 -0.0050 189 LEU 42 HB3 -0.0115 0.0081 -0.0029 190 LEU 42 HG -0.0156 -0.0030 0.0020 191 LEU 42 HD11 -0.0154 -0.0037 0.0027 192 LEU 42 HD12 -0.0136 0.0028 -0.0006 193 LEU 42 HD13 -0.0193 -0.0007 -0.0026 194 LEU 42 HD21 -0.0060 0.0035 0.0049 195 LEU 42 HD22 -0.0083 -0.0031 0.0079 196 LEU 42 HD23 -0.0069 0.0004 0.0065 197 HIS 43 N -0.0084 0.0077 -0.0028 198 HIS 43 CA -0.0087 0.0084 -0.0011 199 HIS 43 C -0.0068 0.0059 0.0029 200 HIS 43 O -0.0045 0.0024 0.0024 201 HIS 43 CB -0.0084 0.0074 -0.0048 202 HIS 43 CG -0.0101 0.0094 -0.0093 203 HIS 43 ND1 -0.0126 0.0131 -0.0100 204 HIS 43 CD2 -0.0096 0.0081 -0.0133 205 HIS 43 CE1 -0.0135 0.0140 -0.0142 206 HIS 43 NE2 -0.0118 0.0110 -0.0163 207 HIS 43 H -0.0067 0.0050 -0.0035 208 HIS 43 HA -0.0106 0.0114 0.0001 209 HIS 43 HB2 -0.0064 0.0043 -0.0055 210 HIS 43 HB3 -0.0089 0.0083 -0.0034 211 HIS 43 HD1 -0.0135 0.0149 -0.0076 212 HIS 43 HD2 -0.0078 0.0053 -0.0140 213 HIS 43 HE1 -0.0155 0.0167 -0.0157 214 HIS 43 HE2 -0.0121 0.0112 -0.0193 215 ARG 44 N -0.0040 0.0058 -0.0019 216 ARG 44 CA -0.0040 0.0040 0.0002 217 ARG 44 C -0.0043 0.0046 0.0013 218 ARG 44 O -0.0048 0.0068 0.0012 219 ARG 44 CB -0.0045 0.0045 0.0025 220 ARG 44 CG -0.0044 0.0047 0.0018 221 ARG 44 CD -0.0050 0.0054 0.0042 222 ARG 44 NE -0.0050 0.0058 0.0037 223 ARG 44 CZ -0.0054 0.0061 0.0055 224 ARG 44 NH1 -0.0059 0.0062 0.0080 225 ARG 44 NH2 -0.0054 0.0065 0.0049 226 ARG 44 H -0.0045 0.0077 -0.0017 227 ARG 44 HA -0.0034 0.0020 -0.0003 228 ARG 44 HB2 -0.0050 0.0062 0.0034 229 ARG 44 HB3 -0.0044 0.0028 0.0038 230 ARG 44 HG2 -0.0039 0.0029 0.0011 231 ARG 44 HG3 -0.0045 0.0062 0.0003 232 ARG 44 HD2 -0.0055 0.0071 0.0050 233 ARG 44 HD3 -0.0049 0.0038 0.0056 234 ARG 44 HE -0.0047 0.0058 0.0018 235 ARG 44 HH11 -0.0059 0.0059 0.0086 236 ARG 44 HH12 -0.0062 0.0064 0.0095 237 ARG 44 HH21 -0.0050 0.0065 0.0031 238 ARG 44 HH22 -0.0057 0.0067 0.0063 239 CYS 45 N -0.0022 0.0007 -0.0017 240 CYS 45 CA -0.0023 0.0001 -0.0022 241 CYS 45 C -0.0027 0.0003 -0.0028 242 CYS 45 O -0.0031 0.0008 -0.0029 243 CYS 45 CB -0.0023 0.0001 -0.0022 244 CYS 45 SG -0.0025 -0.0004 -0.0029 245 CYS 45 H -0.0023 0.0011 -0.0016 246 CYS 45 HA -0.0020 -0.0003 -0.0022 247 CYS 45 HB2 -0.0019 -0.0001 -0.0019 248 CYS 45 HB3 -0.0025 0.0006 -0.0022 249 LEU 46 N 0.0003 0.0002 -0.0094 250 LEU 46 CA -0.0013 0.0004 -0.0084 251 LEU 46 C -0.0033 -0.0009 -0.0097 252 LEU 46 O -0.0054 -0.0009 -0.0088 253 LEU 46 CB 0.0003 0.0011 -0.0079 254 LEU 46 CG 0.0022 0.0025 -0.0065 255 LEU 46 CD1 0.0038 0.0030 -0.0063 256 LEU 46 CD2 0.0011 0.0036 -0.0043 257 LEU 46 H 0.0020 0.0003 -0.0099 258 LEU 46 HA -0.0021 0.0012 -0.0069 259 LEU 46 HB2 0.0012 0.0004 -0.0094 260 LEU 46 HB3 -0.0009 0.0013 -0.0072 261 LEU 46 HG 0.0033 0.0023 -0.0072 262 LEU 46 HD11 0.0047 0.0022 -0.0079 263 LEU 46 HD12 0.0051 0.0040 -0.0053 264 LEU 46 HD13 0.0026 0.0031 -0.0058 265 LEU 46 HD21 0.0001 0.0033 -0.0045 266 LEU 46 HD22 -0.0002 0.0038 -0.0036 267 LEU 46 HD23 0.0025 0.0046 -0.0033 268 ALA 47 N 0.0014 -0.0037 -0.0092 269 ALA 47 CA 0.0014 -0.0039 -0.0089 270 ALA 47 C 0.0016 -0.0042 -0.0090 271 ALA 47 O 0.0017 -0.0044 -0.0088 272 ALA 47 CB 0.0014 -0.0038 -0.0089 273 ALA 47 H 0.0013 -0.0035 -0.0093 274 ALA 47 HA 0.0014 -0.0038 -0.0087 275 ALA 47 HB1 0.0014 -0.0040 -0.0087 276 ALA 47 HB2 0.0015 -0.0039 -0.0091 277 ALA 47 HB3 0.0013 -0.0036 -0.0088 278 CYS 48 N -0.0033 -0.0026 -0.0051 279 CYS 48 CA -0.0029 -0.0016 -0.0049 280 CYS 48 C -0.0030 -0.0005 -0.0053 281 CYS 48 O -0.0028 0.0004 -0.0053 282 CYS 48 CB -0.0022 -0.0016 -0.0038 283 CYS 48 SG -0.0021 -0.0026 -0.0034 284 CYS 48 H -0.0031 -0.0029 -0.0048 285 CYS 48 HA -0.0031 -0.0015 -0.0052 286 CYS 48 HB2 -0.0018 -0.0018 -0.0033 287 CYS 48 HB3 -0.0019 -0.0008 -0.0037 288 ALA 49 N -0.0030 -0.0017 -0.0039 289 ALA 49 CA -0.0035 -0.0003 -0.0031 290 ALA 49 C -0.0028 0.0003 -0.0026 291 ALA 49 O -0.0034 0.0014 -0.0020 292 ALA 49 CB -0.0051 -0.0001 -0.0032 293 ALA 49 H -0.0025 -0.0021 -0.0040 294 ALA 49 HA -0.0030 0.0000 -0.0028 295 ALA 49 HB1 -0.0056 -0.0005 -0.0035 296 ALA 49 HB2 -0.0055 -0.0006 -0.0036 297 ALA 49 HB3 -0.0054 0.0009 -0.0027 298 ARG 50 N 0.0006 -0.0000 -0.0030 299 ARG 50 CA 0.0015 0.0002 -0.0031 300 ARG 50 C 0.0007 0.0000 -0.0037 301 ARG 50 O -0.0006 -0.0003 -0.0033 302 ARG 50 CB 0.0023 0.0002 -0.0017 303 ARG 50 CG 0.0033 0.0004 -0.0011 304 ARG 50 CD 0.0040 0.0005 0.0004 305 ARG 50 NE 0.0050 0.0007 0.0010 306 ARG 50 CZ 0.0056 0.0007 0.0024 307 ARG 50 NH1 0.0055 0.0006 0.0032 308 ARG 50 NH2 0.0064 0.0008 0.0029 309 ARG 50 H -0.0001 -0.0003 -0.0023 310 ARG 50 HA 0.0024 0.0005 -0.0039 311 ARG 50 HB2 0.0015 -0.0001 -0.0009 312 ARG 50 HB3 0.0029 0.0004 -0.0018 313 ARG 50 HG2 0.0041 0.0007 -0.0018 314 ARG 50 HG3 0.0027 0.0003 -0.0009 315 ARG 50 HD2 0.0032 0.0002 0.0012 316 ARG 50 HD3 0.0046 0.0006 0.0002 317 ARG 50 HE 0.0051 0.0008 0.0004 318 ARG 50 HH11 0.0049 0.0004 0.0029 319 ARG 50 HH12 0.0059 0.0006 0.0042 320 ARG 50 HH21 0.0066 0.0010 0.0023 321 ARG 50 HH22 0.0069 0.0009 0.0039 322 TYR 51 N 0.0013 -0.0051 0.0052 323 TYR 51 CA -0.0000 -0.0042 0.0023 324 TYR 51 C 0.0001 -0.0047 0.0004 325 TYR 51 O 0.0020 -0.0067 -0.0000 326 TYR 51 CB 0.0008 -0.0053 0.0005 327 TYR 51 CG 0.0009 -0.0051 0.0024 328 TYR 51 CD1 0.0028 -0.0068 0.0044 329 TYR 51 CD2 -0.0009 -0.0033 0.0021 330 TYR 51 CE1 0.0028 -0.0066 0.0061 331 TYR 51 CE2 -0.0008 -0.0031 0.0038 332 TYR 51 CZ 0.0010 -0.0047 0.0058 333 TYR 51 OH 0.0011 -0.0045 0.0075 334 TYR 51 H 0.0029 -0.0068 0.0050 335 TYR 51 HA -0.0017 -0.0023 0.0027 336 TYR 51 HB2 0.0025 -0.0072 0.0000 337 TYR 51 HB3 -0.0002 -0.0046 -0.0017 338 TYR 51 HD1 0.0042 -0.0082 0.0046 339 TYR 51 HD2 -0.0024 -0.0020 0.0006 340 TYR 51 HE1 0.0043 -0.0079 0.0076 341 TYR 51 HE2 -0.0022 -0.0016 0.0036 342 TYR 51 HH 0.0026 -0.0061 0.0074 343 PHE 52 N -0.0021 0.0021 0.0002 344 PHE 52 CA -0.0016 0.0019 -0.0000 345 PHE 52 C -0.0012 0.0024 -0.0001 346 PHE 52 O -0.0013 0.0028 0.0000 347 PHE 52 CB -0.0014 0.0015 -0.0001 348 PHE 52 CG -0.0017 0.0010 -0.0001 349 PHE 52 CD1 -0.0022 0.0011 0.0001 350 PHE 52 CD2 -0.0016 0.0006 -0.0002 351 PHE 52 CE1 -0.0025 0.0006 0.0002 352 PHE 52 CE2 -0.0019 0.0001 -0.0001 353 PHE 52 CZ -0.0023 0.0001 0.0000 354 PHE 52 H -0.0021 0.0022 0.0002 355 PHE 52 HA -0.0015 0.0017 -0.0000 356 PHE 52 HB2 -0.0014 0.0018 -0.0001 357 PHE 52 HB3 -0.0010 0.0014 -0.0003 358 PHE 52 HD1 -0.0023 0.0014 0.0002 359 PHE 52 HD2 -0.0012 0.0006 -0.0003 360 PHE 52 HE1 -0.0028 0.0006 0.0003 361 PHE 52 HE2 -0.0018 -0.0002 -0.0002 362 PHE 52 HZ -0.0025 -0.0002 0.0001 363 ILE 53 N 0.0029 0.0026 0.0005 364 ILE 53 CA 0.0006 -0.0000 0.0003 365 ILE 53 C -0.0031 -0.0026 0.0014 366 ILE 53 O -0.0048 -0.0058 0.0001 367 ILE 53 CB 0.0001 0.0019 0.0024 368 ILE 53 CG1 -0.0015 0.0047 0.0061 369 ILE 53 CG2 0.0036 0.0038 0.0008 370 ILE 53 CD1 -0.0022 0.0066 0.0084 371 ILE 53 H 0.0037 0.0053 0.0020 372 ILE 53 HA 0.0019 -0.0017 -0.0023 373 ILE 53 HB -0.0019 -0.0002 0.0022 374 ILE 53 HG12 0.0003 0.0068 0.0063 375 ILE 53 HG13 -0.0041 0.0032 0.0071 376 ILE 53 HG21 0.0057 0.0058 0.0007 377 ILE 53 HG22 0.0045 0.0017 -0.0017 378 ILE 53 HG23 0.0032 0.0051 0.0023 379 ILE 53 HD11 -0.0042 0.0046 0.0084 380 ILE 53 HD12 -0.0033 0.0085 0.0110 381 ILE 53 HD13 0.0003 0.0081 0.0074 382 ASP 54 N 0.0025 0.0088 0.0025 383 ASP 54 CA 0.0060 0.0080 0.0026 384 ASP 54 C 0.0042 0.0032 0.0015 385 ASP 54 O 0.0017 -0.0002 0.0007 386 ASP 54 CB 0.0117 0.0073 0.0029 387 ASP 54 CG 0.0156 0.0067 0.0031 388 ASP 54 OD1 0.0173 0.0107 0.0040 389 ASP 54 OD2 0.0171 0.0022 0.0023 390 ASP 54 H 0.0009 0.0058 0.0018 391 ASP 54 HA 0.0058 0.0114 0.0032 392 ASP 54 HB2 0.0128 0.0106 0.0036 393 ASP 54 HB3 0.0119 0.0038 0.0022 394 SER 55 N 0.0061 0.0051 0.0020 395 SER 55 CA 0.0049 0.0010 0.0010 396 SER 55 C 0.0065 -0.0018 0.0021 397 SER 55 O 0.0050 -0.0045 0.0009 398 SER 55 CB 0.0054 -0.0005 0.0014 399 SER 55 OG 0.0044 -0.0046 0.0005 400 SER 55 H 0.0073 0.0062 0.0029 401 SER 55 HA 0.0023 0.0011 -0.0009 402 SER 55 HB2 0.0040 0.0013 0.0004 403 SER 55 HB3 0.0080 -0.0003 0.0032 404 SER 55 HG 0.0062 -0.0064 0.0017 405 THR 56 N 0.0123 -0.0003 0.0037 406 THR 56 CA 0.0146 -0.0037 0.0046 407 THR 56 C 0.0099 -0.0013 0.0007 408 THR 56 O 0.0093 -0.0059 -0.0022 409 THR 56 CB 0.0197 -0.0013 0.0113 410 THR 56 OG1 0.0237 -0.0027 0.0149 411 THR 56 CG2 0.0227 -0.0056 0.0124 412 THR 56 H 0.0140 0.0033 0.0073 413 THR 56 HA 0.0159 -0.0098 0.0031 414 THR 56 HB 0.0181 0.0047 0.0124 415 THR 56 HG1 0.0223 0.0016 0.0154 416 THR 56 HG21 0.0263 -0.0037 0.0172 417 THR 56 HG22 0.0242 -0.0116 0.0112 418 THR 56 HG23 0.0197 -0.0045 0.0097 419 ASN 57 N 0.0062 -0.0014 0.0042 420 ASN 57 CA 0.0031 0.0002 0.0020 421 ASN 57 C 0.0013 -0.0015 -0.0018 422 ASN 57 O -0.0003 -0.0021 -0.0043 423 ASN 57 CB 0.0012 0.0043 0.0036 424 ASN 57 CG 0.0021 0.0063 0.0065 425 ASN 57 OD1 0.0007 0.0073 0.0058 426 ASN 57 ND2 0.0044 0.0069 0.0098 427 ASN 57 H 0.0064 0.0002 0.0060 428 ASN 57 HA 0.0036 -0.0005 0.0019 429 ASN 57 HB2 0.0018 0.0049 0.0048 430 ASN 57 HB3 -0.0013 0.0053 0.0015 431 ASN 57 HD21 0.0055 0.0061 0.0104 432 ASN 57 HD22 0.0050 0.0081 0.0117 433 LEU 58 N 0.0016 -0.0001 -0.0005 434 LEU 58 CA 0.0003 -0.0006 -0.0006 435 LEU 58 C 0.0005 -0.0020 -0.0008 436 LEU 58 O -0.0004 -0.0031 -0.0010 437 LEU 58 CB -0.0003 0.0007 -0.0004 438 LEU 58 CG -0.0017 0.0004 -0.0004 439 LEU 58 CD1 -0.0012 -0.0003 -0.0005 440 LEU 58 CD2 -0.0028 -0.0004 -0.0006 441 LEU 58 H 0.0021 0.0008 -0.0003 442 LEU 58 HA -0.0005 -0.0008 -0.0006 443 LEU 58 HB2 -0.0006 0.0016 -0.0002 444 LEU 58 HB3 0.0006 0.0011 -0.0003 445 LEU 58 HG -0.0022 0.0014 -0.0003 446 LEU 58 HD11 -0.0022 -0.0005 -0.0006 447 LEU 58 HD12 -0.0007 -0.0014 -0.0007 448 LEU 58 HD13 -0.0004 0.0004 -0.0004 449 LEU 58 HD21 -0.0024 -0.0015 -0.0007 450 LEU 58 HD22 -0.0038 -0.0006 -0.0006 451 LEU 58 HD23 -0.0032 0.0001 -0.0005 452 LYS 59 N 0.0042 -0.0031 0.0009 453 LYS 59 CA 0.0058 -0.0041 -0.0014 454 LYS 59 C 0.0046 -0.0047 -0.0036 455 LYS 59 O 0.0048 -0.0055 -0.0059 456 LYS 59 CB 0.0089 -0.0042 -0.0008 457 LYS 59 CG 0.0093 -0.0039 0.0003 458 LYS 59 CD 0.0123 -0.0039 0.0011 459 LYS 59 CE 0.0142 -0.0049 -0.0012 460 LYS 59 NZ 0.0135 -0.0055 -0.0031 461 LYS 59 H 0.0049 -0.0026 0.0026 462 LYS 59 HA 0.0058 -0.0043 -0.0021 463 LYS 59 HB2 0.0100 -0.0049 -0.0025 464 LYS 59 HB3 0.0097 -0.0038 0.0007 465 LYS 59 HG2 0.0081 -0.0031 0.0020 466 LYS 59 HG3 0.0086 -0.0043 -0.0011 467 LYS 59 HD2 0.0129 -0.0035 0.0024 468 LYS 59 HD3 0.0125 -0.0036 0.0021 469 LYS 59 HE2 0.0139 -0.0053 -0.0022 470 LYS 59 HE3 0.0163 -0.0049 -0.0005 471 LYS 59 HZ1 0.0139 -0.0053 -0.0022 472 LYS 59 HZ2 0.0149 -0.0062 -0.0046 473 LYS 59 HZ3 0.0116 -0.0056 -0.0038 474 THR 60 N 0.0059 -0.0024 -0.0082 475 THR 60 CA 0.0043 -0.0054 -0.0115 476 THR 60 C 0.0030 -0.0081 -0.0086 477 THR 60 O 0.0023 -0.0093 -0.0105 478 THR 60 CB 0.0027 -0.0085 -0.0142 479 THR 60 OG1 0.0040 -0.0059 -0.0170 480 THR 60 CG2 0.0011 -0.0117 -0.0177 481 THR 60 H 0.0057 -0.0028 -0.0077 482 THR 60 HA 0.0053 -0.0035 -0.0142 483 THR 60 HB 0.0018 -0.0103 -0.0113 484 THR 60 HG1 0.0048 -0.0045 -0.0147 485 THR 60 HG21 -0.0000 -0.0138 -0.0195 486 THR 60 HG22 0.0020 -0.0098 -0.0205 487 THR 60 HG23 0.0001 -0.0136 -0.0156 488 HIS 61 N 0.0003 -0.0030 -0.0039 489 HIS 61 CA -0.0002 -0.0035 -0.0032 490 HIS 61 C -0.0001 -0.0032 -0.0030 491 HIS 61 O -0.0005 -0.0038 -0.0027 492 HIS 61 CB -0.0005 -0.0035 -0.0022 493 HIS 61 CG -0.0009 -0.0037 -0.0013 494 HIS 61 ND1 -0.0014 -0.0046 -0.0012 495 HIS 61 CD2 -0.0009 -0.0031 -0.0005 496 HIS 61 CE1 -0.0016 -0.0046 -0.0003 497 HIS 61 NE2 -0.0014 -0.0037 0.0001 498 HIS 61 H 0.0004 -0.0025 -0.0037 499 HIS 61 HA -0.0004 -0.0043 -0.0036 500 HIS 61 HB2 -0.0007 -0.0039 -0.0023 501 HIS 61 HB3 -0.0002 -0.0027 -0.0020 502 HIS 61 HD1 -0.0015 -0.0052 -0.0016 503 HIS 61 HD2 -0.0006 -0.0023 -0.0003 504 HIS 61 HE1 -0.0020 -0.0051 0.0000 505 PHE 62 N 0.0008 0.0012 -0.0008 506 PHE 62 CA 0.0008 0.0016 -0.0005 507 PHE 62 C 0.0006 0.0020 -0.0002 508 PHE 62 O 0.0006 0.0022 0.0001 509 PHE 62 CB 0.0006 0.0015 -0.0006 510 PHE 62 CG 0.0007 0.0011 -0.0010 511 PHE 62 CD1 0.0012 0.0009 -0.0010 512 PHE 62 CD2 0.0003 0.0008 -0.0012 513 PHE 62 CE1 0.0014 0.0006 -0.0013 514 PHE 62 CE2 0.0004 0.0004 -0.0015 515 PHE 62 CZ 0.0010 0.0003 -0.0016 516 PHE 62 H 0.0005 0.0011 -0.0010 517 PHE 62 HA 0.0012 0.0016 -0.0005 518 PHE 62 HB2 0.0001 0.0015 -0.0006 519 PHE 62 HB3 0.0007 0.0017 -0.0004 520 PHE 62 HD1 0.0015 0.0011 -0.0008 521 PHE 62 HD2 -0.0001 0.0009 -0.0012 522 PHE 62 HE1 0.0018 0.0005 -0.0014 523 PHE 62 HE2 0.0001 0.0002 -0.0017 524 PHE 62 HZ 0.0010 -0.0000 -0.0019 525 ARG 63 N 0.0046 0.0036 -0.0092 526 ARG 63 CA 0.0030 0.0064 -0.0031 527 ARG 63 C 0.0079 0.0103 -0.0004 528 ARG 63 O 0.0075 0.0131 0.0048 529 ARG 63 CB 0.0013 0.0067 -0.0011 530 ARG 63 CG -0.0043 0.0030 -0.0027 531 ARG 63 CD -0.0059 0.0034 -0.0008 532 ARG 63 NE -0.0065 0.0066 0.0053 533 ARG 63 CZ -0.0088 0.0072 0.0082 534 ARG 63 NH1 -0.0110 0.0047 0.0057 535 ARG 63 NH2 -0.0090 0.0103 0.0137 536 ARG 63 H 0.0057 0.0028 -0.0115 537 ARG 63 HA -0.0007 0.0054 -0.0017 538 ARG 63 HB2 0.0048 0.0073 -0.0030 539 ARG 63 HB3 0.0006 0.0090 0.0034 540 ARG 63 HG2 -0.0078 0.0025 -0.0008 541 ARG 63 HG3 -0.0037 0.0007 -0.0073 542 ARG 63 HD2 -0.0100 0.0007 -0.0019 543 ARG 63 HD3 -0.0024 0.0038 -0.0030 544 ARG 63 HE -0.0051 0.0084 0.0072 545 ARG 63 HH11 -0.0110 0.0023 0.0016 546 ARG 63 HH12 -0.0127 0.0051 0.0078 547 ARG 63 HH21 -0.0074 0.0122 0.0157 548 ARG 63 HH22 -0.0106 0.0109 0.0161 549 SER 64 N -0.0026 0.0020 -0.0088 550 SER 64 CA -0.0036 0.0007 -0.0085 551 SER 64 C -0.0027 0.0021 -0.0079 552 SER 64 O -0.0023 0.0031 -0.0059 553 SER 64 CB -0.0047 -0.0006 -0.0063 554 SER 64 OG -0.0054 -0.0015 -0.0064 555 SER 64 H -0.0026 0.0024 -0.0074 556 SER 64 HA -0.0040 -0.0003 -0.0101 557 SER 64 HB2 -0.0043 0.0005 -0.0046 558 SER 64 HB3 -0.0055 -0.0017 -0.0062 559 SER 64 HG -0.0059 -0.0026 -0.0077 560 LYS 65 N -0.0052 -0.0062 -0.0271 561 LYS 65 CA -0.0095 0.0052 -0.0160 562 LYS 65 C -0.0046 0.0030 -0.0010 563 LYS 65 O -0.0081 0.0118 0.0068 564 LYS 65 CB -0.0131 0.0116 -0.0149 565 LYS 65 CG -0.0071 0.0025 -0.0128 566 LYS 65 CD -0.0002 -0.0033 0.0018 567 LYS 65 CE 0.0055 -0.0121 0.0031 568 LYS 65 NZ 0.0125 -0.0185 0.0168 569 LYS 65 H -0.0040 -0.0100 -0.0318 570 LYS 65 HA -0.0146 0.0121 -0.0201 571 LYS 65 HB2 -0.0154 0.0190 -0.0056 572 LYS 65 HB3 -0.0182 0.0162 -0.0247 573 LYS 65 HG2 -0.0106 0.0080 -0.0132 574 LYS 65 HG3 -0.0045 -0.0052 -0.0218 575 LYS 65 HD2 0.0034 -0.0089 0.0025 576 LYS 65 HD3 -0.0028 0.0045 0.0107 577 LYS 65 HE2 0.0020 -0.0063 0.0033 578 LYS 65 HE3 0.0077 -0.0194 -0.0063 579 LYS 65 HZ1 0.0107 -0.0118 0.0263 580 LYS 65 HZ2 0.0162 -0.0245 0.0170 581 LYS 65 HZ3 0.0162 -0.0242 0.0176 582 ASP 66 N -0.0073 -0.0014 -0.0110 583 ASP 66 CA -0.0078 -0.0024 -0.0075 584 ASP 66 C -0.0075 -0.0016 -0.0040 585 ASP 66 O -0.0073 -0.0009 -0.0009 586 ASP 66 CB -0.0092 -0.0064 -0.0076 587 ASP 66 CG -0.0097 -0.0076 -0.0044 588 ASP 66 OD1 -0.0096 -0.0075 -0.0049 589 ASP 66 OD2 -0.0101 -0.0087 -0.0015 590 ASP 66 H -0.0080 -0.0032 -0.0128 591 ASP 66 HA -0.0072 -0.0009 -0.0073 592 ASP 66 HB2 -0.0094 -0.0070 -0.0104 593 ASP 66 HB3 -0.0097 -0.0079 -0.0075 594 HIS 67 N -0.0021 0.0010 -0.0019 595 HIS 67 CA -0.0018 0.0006 -0.0017 596 HIS 67 C -0.0016 0.0010 -0.0015 597 HIS 67 O -0.0012 0.0010 -0.0011 598 HIS 67 CB -0.0022 0.0001 -0.0019 599 HIS 67 CG -0.0020 -0.0004 -0.0017 600 HIS 67 ND1 -0.0015 -0.0006 -0.0013 601 HIS 67 CD2 -0.0023 -0.0008 -0.0019 602 HIS 67 CE1 -0.0015 -0.0012 -0.0012 603 HIS 67 NE2 -0.0020 -0.0013 -0.0016 604 HIS 67 H -0.0024 0.0009 -0.0022 605 HIS 67 HA -0.0015 0.0003 -0.0014 606 HIS 67 HB2 -0.0024 -0.0003 -0.0020 607 HIS 67 HB3 -0.0025 0.0003 -0.0022 608 HIS 67 HD1 -0.0012 -0.0004 -0.0011 609 HIS 67 HD2 -0.0026 -0.0007 -0.0022 610 HIS 67 HE1 -0.0012 -0.0015 -0.0009 611 LYS 68 N 0.0003 0.0067 0.0017 612 LYS 68 CA 0.0007 0.0068 0.0017 613 LYS 68 C 0.0015 0.0078 0.0017 614 LYS 68 O 0.0023 0.0078 0.0019 615 LYS 68 CB -0.0003 0.0069 0.0015 616 LYS 68 CG -0.0012 0.0060 0.0015 617 LYS 68 CD -0.0022 0.0062 0.0013 618 LYS 68 CE -0.0028 0.0073 0.0010 619 LYS 68 NZ -0.0038 0.0075 0.0008 620 LYS 68 H -0.0004 0.0069 0.0015 621 LYS 68 HA 0.0011 0.0060 0.0019 622 LYS 68 HB2 -0.0007 0.0077 0.0014 623 LYS 68 HB3 -0.0001 0.0069 0.0016 624 LYS 68 HG2 -0.0009 0.0051 0.0016 625 LYS 68 HG3 -0.0015 0.0060 0.0014 626 LYS 68 HD2 -0.0020 0.0062 0.0013 627 LYS 68 HD3 -0.0028 0.0055 0.0012 628 LYS 68 HE2 -0.0030 0.0073 0.0010 629 LYS 68 HE3 -0.0022 0.0080 0.0010 630 LYS 68 HZ1 -0.0036 0.0075 0.0008 631 LYS 68 HZ2 -0.0042 0.0082 0.0007 632 LYS 68 HZ3 -0.0044 0.0068 0.0008 633 LYS 69 N -0.0032 0.0052 0.0020 634 LYS 69 CA -0.0032 0.0053 0.0030 635 LYS 69 C -0.0031 0.0050 0.0042 636 LYS 69 O -0.0031 0.0057 0.0051 637 LYS 69 CB -0.0030 0.0045 0.0028 638 LYS 69 CG -0.0029 0.0041 0.0039 639 LYS 69 CD -0.0028 0.0032 0.0034 640 LYS 69 CE -0.0026 0.0027 0.0044 641 LYS 69 NZ -0.0025 0.0017 0.0038 642 LYS 69 H -0.0031 0.0047 0.0013 643 LYS 69 HA -0.0033 0.0062 0.0031 644 LYS 69 HB2 -0.0031 0.0048 0.0021 645 LYS 69 HB3 -0.0029 0.0036 0.0024 646 LYS 69 HG2 -0.0028 0.0038 0.0046 647 LYS 69 HG3 -0.0030 0.0049 0.0042 648 LYS 69 HD2 -0.0029 0.0035 0.0027 649 LYS 69 HD3 -0.0027 0.0024 0.0030 650 LYS 69 HE2 -0.0026 0.0023 0.0051 651 LYS 69 HE3 -0.0028 0.0034 0.0047 652 LYS 69 HZ1 -0.0024 0.0012 0.0045 653 LYS 69 HZ2 -0.0024 0.0010 0.0035 654 LYS 69 HZ3 -0.0026 0.0020 0.0031 655 ARG 70 N -0.0012 -0.0004 -0.0090 656 ARG 70 CA -0.0007 -0.0023 -0.0031 657 ARG 70 C 0.0004 0.0015 -0.0004 658 ARG 70 O 0.0014 0.0025 0.0047 659 ARG 70 CB -0.0020 -0.0084 -0.0028 660 ARG 70 CG -0.0017 -0.0108 0.0032 661 ARG 70 CD -0.0012 -0.0106 0.0062 662 ARG 70 NE -0.0008 -0.0127 0.0121 663 ARG 70 CZ 0.0002 -0.0109 0.0163 664 ARG 70 NH1 0.0009 -0.0069 0.0153 665 ARG 70 NH2 0.0004 -0.0131 0.0215 666 ARG 70 H -0.0021 -0.0027 -0.0120 667 ARG 70 HA -0.0004 -0.0019 -0.0010 668 ARG 70 HB2 -0.0029 -0.0109 -0.0054 669 ARG 70 HB3 -0.0023 -0.0085 -0.0047 670 ARG 70 HG2 -0.0026 -0.0152 0.0030 671 ARG 70 HG3 -0.0008 -0.0085 0.0055 672 ARG 70 HD2 -0.0003 -0.0063 0.0063 673 ARG 70 HD3 -0.0020 -0.0130 0.0039 674 ARG 70 HE -0.0013 -0.0156 0.0128 675 ARG 70 HH11 0.0007 -0.0051 0.0114 676 ARG 70 HH12 0.0016 -0.0055 0.0184 677 ARG 70 HH21 -0.0001 -0.0161 0.0223 678 ARG 70 HH22 0.0011 -0.0119 0.0248 679 LEU 71 N 0.0022 0.0032 -0.0039 680 LEU 71 CA 0.0024 0.0031 -0.0037 681 LEU 71 C 0.0028 0.0035 -0.0037 682 LEU 71 O 0.0032 0.0035 -0.0035 683 LEU 71 CB 0.0021 0.0030 -0.0038 684 LEU 71 CG 0.0017 0.0026 -0.0038 685 LEU 71 CD1 0.0015 0.0025 -0.0038 686 LEU 71 CD2 0.0019 0.0022 -0.0034 687 LEU 71 H 0.0019 0.0032 -0.0041 688 LEU 71 HA 0.0026 0.0029 -0.0034 689 LEU 71 HB2 0.0020 0.0032 -0.0040 690 LEU 71 HB3 0.0024 0.0029 -0.0036 691 LEU 71 HG 0.0015 0.0027 -0.0039 692 LEU 71 HD11 0.0017 0.0024 -0.0036 693 LEU 71 HD12 0.0014 0.0027 -0.0041 694 LEU 71 HD13 0.0012 0.0022 -0.0038 695 LEU 71 HD21 0.0020 0.0023 -0.0034 696 LEU 71 HD22 0.0021 0.0021 -0.0032 697 LEU 71 HD23 0.0016 0.0019 -0.0034 698 LYS 72 N 0.0074 0.0108 -0.0066 699 LYS 72 CA 0.0034 0.0014 -0.0076 700 LYS 72 C -0.0032 0.0003 -0.0142 701 LYS 72 O -0.0086 -0.0042 -0.0184 702 LYS 72 CB 0.0074 -0.0054 -0.0009 703 LYS 72 CG 0.0038 -0.0156 -0.0013 704 LYS 72 CD 0.0083 -0.0217 0.0057 705 LYS 72 CE 0.0047 -0.0319 0.0054 706 LYS 72 NZ 0.0091 -0.0380 0.0122 707 LYS 72 H 0.0119 0.0120 -0.0022 708 LYS 72 HA 0.0021 -0.0002 -0.0084 709 LYS 72 HB2 0.0121 -0.0045 0.0037 710 LYS 72 HB3 0.0087 -0.0037 -0.0002 711 LYS 72 HG2 -0.0006 -0.0167 -0.0055 712 LYS 72 HG3 0.0022 -0.0173 -0.0023 713 LYS 72 HD2 0.0127 -0.0205 0.0099 714 LYS 72 HD3 0.0098 -0.0200 0.0067 715 LYS 72 HE2 0.0004 -0.0332 0.0013 716 LYS 72 HE3 0.0030 -0.0335 0.0041 717 LYS 72 HZ1 0.0108 -0.0367 0.0136 718 LYS 72 HZ2 0.0133 -0.0370 0.0163 719 LYS 72 HZ3 0.0065 -0.0450 0.0119 720 GLN 73 N 0.0071 0.0013 -0.0032 721 GLN 73 CA 0.0077 0.0014 -0.0030 722 GLN 73 C 0.0088 0.0002 0.0008 723 GLN 73 O 0.0111 0.0008 0.0015 724 GLN 73 CB 0.0043 0.0008 -0.0045 725 GLN 73 CG 0.0030 0.0021 -0.0083 726 GLN 73 CD -0.0004 0.0014 -0.0097 727 GLN 73 OE1 -0.0026 -0.0003 -0.0078 728 GLN 73 NE2 -0.0008 0.0027 -0.0130 729 GLN 73 H 0.0047 0.0007 -0.0038 730 GLN 73 HA 0.0097 0.0029 -0.0044 731 GLN 73 HB2 0.0022 -0.0006 -0.0031 732 GLN 73 HB3 0.0048 0.0009 -0.0042 733 GLN 73 HG2 0.0051 0.0035 -0.0098 734 GLN 73 HG3 0.0026 0.0020 -0.0086 735 GLN 73 HE21 0.0011 0.0040 -0.0143 736 GLN 73 HE22 -0.0030 0.0023 -0.0140 737 LEU 74 N 0.0038 0.0010 0.0015 738 LEU 74 CA 0.0037 0.0005 0.0070 739 LEU 74 C 0.0063 0.0059 0.0089 740 LEU 74 O 0.0067 0.0065 0.0139 741 LEU 74 CB 0.0016 -0.0040 0.0065 742 LEU 74 CG 0.0011 -0.0056 0.0121 743 LEU 74 CD1 0.0004 -0.0074 0.0171 744 LEU 74 CD2 -0.0010 -0.0100 0.0108 745 LEU 74 H 0.0031 -0.0003 -0.0022 746 LEU 74 HA 0.0033 -0.0007 0.0104 747 LEU 74 HB2 -0.0001 -0.0075 0.0047 748 LEU 74 HB3 0.0023 -0.0025 0.0033 749 LEU 74 HG 0.0027 -0.0021 0.0137 750 LEU 74 HD11 -0.0001 -0.0086 0.0209 751 LEU 74 HD12 -0.0013 -0.0108 0.0156 752 LEU 74 HD13 0.0019 -0.0042 0.0182 753 LEU 74 HD21 -0.0027 -0.0135 0.0092 754 LEU 74 HD22 -0.0014 -0.0110 0.0148 755 LEU 74 HD23 -0.0005 -0.0086 0.0075 756 SER 75 N 0.0008 -0.0007 -0.0046 757 SER 75 CA 0.0005 -0.0022 -0.0046 758 SER 75 C 0.0033 0.0041 -0.0033 759 SER 75 O 0.0021 0.0049 -0.0041 760 SER 75 CB -0.0061 -0.0044 -0.0088 761 SER 75 OG -0.0065 -0.0063 -0.0089 762 SER 75 H 0.0038 -0.0030 -0.0024 763 SER 75 HA 0.0033 -0.0067 -0.0024 764 SER 75 HB2 -0.0078 -0.0089 -0.0096 765 SER 75 HB3 -0.0090 0.0001 -0.0110 766 SER 75 HG -0.0090 -0.0107 -0.0102 767 VAL 76 N 0.0025 0.0057 -0.0046 768 VAL 76 CA 0.0032 0.0068 -0.0048 769 VAL 76 C 0.0046 0.0084 -0.0059 770 VAL 76 O 0.0049 0.0102 -0.0053 771 VAL 76 CB 0.0034 0.0054 -0.0057 772 VAL 76 CG1 0.0041 0.0066 -0.0060 773 VAL 76 CG2 0.0019 0.0039 -0.0047 774 VAL 76 H 0.0024 0.0042 -0.0050 775 VAL 76 HA 0.0024 0.0077 -0.0036 776 VAL 76 HB 0.0041 0.0045 -0.0068 777 VAL 76 HG11 0.0043 0.0056 -0.0066 778 VAL 76 HG12 0.0034 0.0075 -0.0048 779 VAL 76 HG13 0.0052 0.0076 -0.0068 780 VAL 76 HG21 0.0021 0.0029 -0.0053 781 VAL 76 HG22 0.0015 0.0030 -0.0045 782 VAL 76 HG23 0.0012 0.0047 -0.0035 783 GLU 77 N 0.0076 0.0023 -0.0060 784 GLU 77 CA 0.0071 0.0014 -0.0052 785 GLU 77 C 0.0070 0.0028 -0.0060 786 GLU 77 O 0.0056 0.0043 -0.0058 787 GLU 77 CB 0.0052 0.0007 -0.0036 788 GLU 77 CG 0.0034 0.0024 -0.0033 789 GLU 77 CD 0.0015 0.0016 -0.0017 790 GLU 77 OE1 0.0013 0.0004 -0.0009 791 GLU 77 OE2 0.0002 0.0023 -0.0012 792 GLU 77 H 0.0070 0.0038 -0.0065 793 GLU 77 HA 0.0083 -0.0000 -0.0053 794 GLU 77 HB2 0.0048 0.0003 -0.0031 795 GLU 77 HB3 0.0054 -0.0007 -0.0030 796 GLU 77 HG2 0.0037 0.0028 -0.0038 797 GLU 77 HG3 0.0031 0.0037 -0.0039 798 PRO 78 N 0.0121 -0.0078 -0.0079 799 PRO 78 CA 0.0132 -0.0022 -0.0129 800 PRO 78 C 0.0073 -0.0050 -0.0071 801 PRO 78 O 0.0092 -0.0138 -0.0016 802 PRO 78 CB 0.0252 -0.0057 -0.0175 803 PRO 78 CG 0.0301 -0.0104 -0.0169 804 PRO 78 CD 0.0222 -0.0146 -0.0089 805 PRO 78 HA 0.0102 0.0056 -0.0171 806 PRO 78 HB2 0.0270 -0.0108 -0.0146 807 PRO 78 HB3 0.0277 0.0006 -0.0239 808 PRO 78 HG2 0.0374 -0.0162 -0.0169 809 PRO 78 HG3 0.0316 -0.0050 -0.0219 810 PRO 78 HD2 0.0233 -0.0220 -0.0039 811 PRO 78 HD3 0.0229 -0.0147 -0.0092 812 TYR 79 N -0.0079 0.0057 -0.0087 813 TYR 79 CA -0.0087 0.0044 -0.0037 814 TYR 79 C -0.0100 0.0061 -0.0000 815 TYR 79 O -0.0097 0.0034 0.0013 816 TYR 79 CB -0.0075 -0.0010 -0.0028 817 TYR 79 CG -0.0064 -0.0025 -0.0060 818 TYR 79 CD1 -0.0049 -0.0042 -0.0106 819 TYR 79 CD2 -0.0069 -0.0022 -0.0043 820 TYR 79 CE1 -0.0039 -0.0055 -0.0135 821 TYR 79 CE2 -0.0059 -0.0035 -0.0071 822 TYR 79 CZ -0.0044 -0.0051 -0.0117 823 TYR 79 OH -0.0034 -0.0064 -0.0146 824 TYR 79 H -0.0081 0.0083 -0.0105 825 TYR 79 HA -0.0094 0.0066 -0.0032 826 TYR 79 HB2 -0.0068 -0.0033 -0.0037 827 TYR 79 HB3 -0.0083 -0.0017 0.0010 828 TYR 79 HD1 -0.0045 -0.0044 -0.0120 829 TYR 79 HD2 -0.0081 -0.0010 -0.0007 830 TYR 79 HE1 -0.0027 -0.0067 -0.0171 831 TYR 79 HE2 -0.0063 -0.0033 -0.0057 832 TYR 79 HH -0.0041 -0.0038 -0.0144 833 SER 80 N -0.0142 0.0095 0.0056 834 SER 80 CA -0.0130 0.0093 0.0042 835 SER 80 C -0.0148 0.0094 0.0059 836 SER 80 O -0.0174 0.0093 0.0078 837 SER 80 CB -0.0093 0.0108 0.0043 838 SER 80 OG -0.0078 0.0106 0.0027 839 SER 80 H -0.0135 0.0108 0.0076 840 SER 80 HA -0.0133 0.0080 0.0017 841 SER 80 HB2 -0.0081 0.0107 0.0033 842 SER 80 HB3 -0.0090 0.0121 0.0068 843 SER 80 HG -0.0075 0.0096 0.0005 844 GLN 81 N -0.0084 0.0130 0.0136 845 GLN 81 CA -0.0045 0.0128 0.0110 846 GLN 81 C -0.0033 0.0084 0.0107 847 GLN 81 O -0.0051 0.0052 0.0123 848 GLN 81 CB -0.0027 0.0134 0.0097 849 GLN 81 CG 0.0014 0.0139 0.0069 850 GLN 81 CD 0.0033 0.0141 0.0056 851 GLN 81 OE1 0.0023 0.0123 0.0065 852 GLN 81 NE2 0.0061 0.0164 0.0034 853 GLN 81 H -0.0096 0.0130 0.0144 854 GLN 81 HA -0.0038 0.0153 0.0103 855 GLN 81 HB2 -0.0039 0.0163 0.0102 856 GLN 81 HB3 -0.0031 0.0107 0.0103 857 GLN 81 HG2 0.0025 0.0111 0.0065 858 GLN 81 HG3 0.0018 0.0167 0.0063 859 GLN 81 HE21 0.0068 0.0178 0.0028 860 GLN 81 HE22 0.0075 0.0166 0.0025 861 GLU 82 N -0.0016 0.0085 0.0106 862 GLU 82 CA -0.0006 0.0056 0.0086 863 GLU 82 C -0.0004 0.0034 0.0072 864 GLU 82 O 0.0005 0.0008 0.0054 865 GLU 82 CB -0.0030 0.0045 0.0078 866 GLU 82 CG -0.0020 0.0015 0.0058 867 GLU 82 CD -0.0044 0.0007 0.0052 868 GLU 82 OE1 -0.0075 -0.0001 0.0046 869 GLU 82 OE2 -0.0031 0.0009 0.0054 870 GLU 82 H 0.0003 0.0100 0.0116 871 GLU 82 HA 0.0022 0.0058 0.0088 872 GLU 82 HB2 -0.0028 0.0061 0.0089 873 GLU 82 HB3 -0.0057 0.0044 0.0077 874 GLU 82 HG2 -0.0023 -0.0002 0.0047 875 GLU 82 HG3 0.0007 0.0015 0.0059 876 GLU 83 N -0.0066 0.0057 0.0137 877 GLU 83 CA -0.0048 0.0008 0.0093 878 GLU 83 C 0.0002 -0.0004 0.0123 879 GLU 83 O 0.0054 -0.0044 0.0121 880 GLU 83 CB -0.0105 0.0010 0.0045 881 GLU 83 CG -0.0092 -0.0040 -0.0004 882 GLU 83 CD -0.0150 -0.0038 -0.0053 883 GLU 83 OE1 -0.0179 -0.0011 -0.0046 884 GLU 83 OE2 -0.0169 -0.0064 -0.0100 885 GLU 83 H -0.0078 0.0089 0.0164 886 GLU 83 HA -0.0028 -0.0023 0.0074 887 GLU 83 HB2 -0.0138 0.0016 0.0024 888 GLU 83 HB3 -0.0127 0.0043 0.0065 889 GLU 83 HG2 -0.0064 -0.0045 0.0015 890 GLU 83 HG3 -0.0066 -0.0074 -0.0021 891 ALA 84 N -0.0051 0.0048 0.0104 892 ALA 84 CA 0.0009 0.0080 0.0145 893 ALA 84 C 0.0091 0.0163 0.0224 894 ALA 84 O 0.0125 0.0225 0.0273 895 ALA 84 CB -0.0084 0.0127 0.0140 896 ALA 84 H -0.0125 0.0097 0.0108 897 ALA 84 HA 0.0066 0.0007 0.0121 898 ALA 84 HB1 -0.0037 0.0152 0.0171 899 ALA 84 HB2 -0.0144 0.0197 0.0161 900 ALA 84 HB3 -0.0134 0.0063 0.0084 901 GLU 85 N 0.0063 0.0185 0.0165 902 GLU 85 CA 0.0141 0.0234 0.0164 903 GLU 85 C 0.0167 0.0132 0.0099 904 GLU 85 O 0.0094 0.0088 0.0100 905 GLU 85 CB 0.0077 0.0315 0.0232 906 GLU 85 CG 0.0159 0.0389 0.0245 907 GLU 85 CD 0.0199 0.0330 0.0198 908 GLU 85 OE1 0.0131 0.0319 0.0216 909 GLU 85 OE2 0.0298 0.0293 0.0142 910 GLU 85 H 0.0036 0.0104 0.0129 911 GLU 85 HA 0.0225 0.0278 0.0159 912 GLU 85 HB2 0.0036 0.0369 0.0277 913 GLU 85 HB3 0.0004 0.0265 0.0230 914 GLU 85 HG2 0.0238 0.0410 0.0229 915 GLU 85 HG3 0.0118 0.0463 0.0300 916 ARG 86 N 0.0198 -0.0030 0.0054 917 ARG 86 CA 0.0190 0.0015 0.0090 918 ARG 86 C 0.0133 0.0009 0.0104 919 ARG 86 O 0.0087 -0.0020 0.0098 920 ARG 86 CB 0.0197 0.0062 0.0122 921 ARG 86 CG 0.0164 0.0052 0.0125 922 ARG 86 CD 0.0096 0.0040 0.0138 923 ARG 86 NE 0.0068 0.0027 0.0138 924 ARG 86 CZ 0.0011 0.0004 0.0141 925 ARG 86 NH1 -0.0027 -0.0005 0.0146 926 ARG 86 NH2 -0.0008 -0.0007 0.0138 927 ARG 86 H 0.0167 -0.0047 0.0052 928 ARG 86 HA 0.0226 0.0023 0.0084 929 ARG 86 HB2 0.0180 0.0093 0.0149 930 ARG 86 HB3 0.0244 0.0075 0.0115 931 ARG 86 HG2 0.0175 0.0087 0.0146 932 ARG 86 HG3 0.0180 0.0022 0.0098 933 ARG 86 HD2 0.0084 0.0008 0.0119 934 ARG 86 HD3 0.0080 0.0072 0.0167 935 ARG 86 HE 0.0095 0.0035 0.0135 936 ARG 86 HH11 -0.0016 0.0003 0.0148 937 ARG 86 HH12 -0.0070 -0.0022 0.0148 938 ARG 86 HH21 0.0020 -0.0000 0.0134 939 ARG 86 HH22 -0.0050 -0.0024 0.0140 940 ALA 87 N 0.0005 0.0100 -0.0119 941 ALA 87 CA -0.0024 0.0098 -0.0144 942 ALA 87 C 0.0011 0.0114 -0.0365 943 ALA 87 O -0.0091 0.0107 -0.0455 944 ALA 87 CB -0.0239 0.0070 -0.0083 945 ALA 87 H -0.0104 0.0090 -0.0166 946 ALA 87 HA 0.0081 0.0105 -0.0048 947 ALA 87 HB1 -0.0344 0.0062 -0.0177 948 ALA 87 HB2 -0.0262 0.0058 0.0074 949 ALA 87 HB3 -0.0263 0.0068 -0.0106 950 ALA 88 N -0.0124 0.0081 -0.0645 951 ALA 88 CA -0.0261 0.0158 -0.0174 952 ALA 88 C -0.0834 0.0449 -0.0186 953 ALA 88 O -0.1138 0.0608 0.0093 954 ALA 88 CB -0.0088 0.0078 0.0399 955 ALA 88 H -0.0330 0.0185 -0.0712 956 ALA 88 HA -0.0067 0.0058 -0.0233 957 ALA 88 HB1 -0.0283 0.0178 0.0466 958 ALA 88 HB2 0.0324 -0.0132 0.0395 959 ALA 88 HB3 -0.0188 0.0134 0.0744 960 GLY 89 N -0.0752 0.0085 -0.0025 961 GLY 89 CA -0.0187 -0.0105 0.0007 962 GLY 89 C 0.0606 -0.0084 0.0189 963 GLY 89 O 0.0806 -0.0451 0.0057 964 GLY 89 H -0.0622 0.0338 0.0124 965 GLY 89 HA2 -0.0259 -0.0633 -0.0260 966 GLY 89 HA3 -0.0260 0.0261 0.0166 967 MET 90 N -0.0049 -0.0246 -0.0166 968 MET 90 CA -0.0036 -0.0240 -0.0201 969 MET 90 C -0.0011 -0.0224 -0.0257 970 MET 90 O -0.0028 -0.0248 -0.0301 971 MET 90 CB -0.0075 -0.0278 -0.0211 972 MET 90 CG -0.0065 -0.0272 -0.0237 973 MET 90 SD -0.0036 -0.0257 -0.0309 974 MET 90 CE -0.0035 -0.0258 -0.0324 975 MET 90 H -0.0038 -0.0230 -0.0128 976 MET 90 HA -0.0015 -0.0216 -0.0177 977 MET 90 HB2 -0.0095 -0.0289 -0.0171 978 MET 90 HB3 -0.0094 -0.0300 -0.0240 979 MET 90 HG2 -0.0046 -0.0250 -0.0209 980 MET 90 HG3 -0.0095 -0.0301 -0.0239 981 MET 90 HE1 -0.0019 -0.0238 -0.0292 982 MET 90 HE2 -0.0018 -0.0249 -0.0367 983 MET 90 HE3 -0.0067 -0.0288 -0.0323 984 GLY 91 N 0.0309 -0.0839 0.0007 985 GLY 91 CA -0.0531 0.0684 -0.0067 986 GLY 91 C -0.2249 -0.0501 0.0343 987 GLY 91 O -0.1849 -0.1003 0.0349 988 GLY 91 H 0.1041 -0.2290 0.0087 989 GLY 91 HA2 -0.1309 0.2172 -0.0146 990 GLY 91 HA3 0.0859 0.1200 -0.0341 991 SER 92 N 0.0185 -0.0296 -0.0152 992 SER 92 CA 0.0057 -0.0468 0.0031 993 SER 92 C -0.0003 -0.0378 0.0379 994 SER 92 O 0.0077 -0.0122 0.0499 995 SER 92 CB 0.0100 -0.0428 -0.0059 996 SER 92 OG 0.0156 -0.0513 -0.0387 997 SER 92 H 0.0277 -0.0080 -0.0138 998 SER 92 HA -0.0030 -0.0699 -0.0025 999 SER 92 HB2 0.0187 -0.0197 -0.0004 1000 SER 92 HB3 0.0002 -0.0567 0.0070 1001 SER 92 HG 0.0171 -0.0533 -0.0475 1002 TYR 93 N 0.0154 -0.0093 0.0156 1003 TYR 93 CA 0.0078 -0.0041 0.0116 1004 TYR 93 C 0.0010 -0.0068 0.0077 1005 TYR 93 O 0.0032 -0.0103 0.0088 1006 TYR 93 CB 0.0095 0.0069 0.0129 1007 TYR 93 CG 0.0024 0.0133 0.0092 1008 TYR 93 CD1 0.0021 0.0154 0.0092 1009 TYR 93 CD2 -0.0040 0.0171 0.0058 1010 TYR 93 CE1 -0.0043 0.0211 0.0058 1011 TYR 93 CE2 -0.0104 0.0229 0.0025 1012 TYR 93 CZ -0.0105 0.0248 0.0025 1013 TYR 93 OH -0.0170 0.0305 -0.0008 1014 TYR 93 H 0.0181 -0.0074 0.0172 1015 TYR 93 HA 0.0060 -0.0064 0.0105 1016 TYR 93 HB2 0.0151 0.0083 0.0161 1017 TYR 93 HB3 0.0105 0.0092 0.0136 1018 TYR 93 HD1 0.0071 0.0124 0.0118 1019 TYR 93 HD2 -0.0039 0.0156 0.0058 1020 TYR 93 HE1 -0.0043 0.0226 0.0059 1021 TYR 93 HE2 -0.0153 0.0259 -0.0001 1022 TYR 93 HH -0.0222 0.0279 -0.0038 1023 VAL 94 N 0.0458 0.0176 -0.0010 1024 VAL 94 CA 0.0343 0.0097 -0.0005 1025 VAL 94 C 0.0324 0.0082 -0.0005 1026 VAL 94 O 0.0294 0.0178 0.0022 1027 VAL 94 CB 0.0218 0.0143 0.0029 1028 VAL 94 CG1 0.0190 0.0281 0.0064 1029 VAL 94 CG2 0.0101 0.0054 0.0032 1030 VAL 94 H 0.0449 0.0255 0.0009 1031 VAL 94 HA 0.0363 0.0002 -0.0030 1032 VAL 94 HB 0.0235 0.0137 0.0024 1033 VAL 94 HG11 0.0103 0.0308 0.0086 1034 VAL 94 HG12 0.0176 0.0291 0.0069 1035 VAL 94 HG13 0.0270 0.0343 0.0062 1036 VAL 94 HG21 0.0085 0.0053 0.0035 1037 VAL 94 HG22 0.0017 0.0087 0.0055 1038 VAL 94 HG23 0.0120 -0.0043 0.0007