1 ASP 28 N 0.0272 -0.0089 -0.0060 2 ASP 28 CA 0.0187 -0.0092 -0.0023 3 ASP 28 C 0.0193 -0.0116 0.0000 4 ASP 28 O 0.0233 -0.0093 -0.0041 5 ASP 28 CB 0.0122 -0.0027 -0.0068 6 ASP 28 CG 0.0032 -0.0026 -0.0033 7 ASP 28 OD1 -0.0010 -0.0056 0.0016 8 ASP 28 OD2 -0.0000 0.0006 -0.0055 9 ASP 28 H 0.0270 -0.0072 -0.0077 10 ASP 28 HA 0.0167 -0.0125 0.0021 11 ASP 28 HB2 0.0118 -0.0011 -0.0083 12 ASP 28 HB3 0.0144 0.0006 -0.0112 13 PRO 29 N 0.0304 0.0050 0.0023 14 PRO 29 CA 0.0317 0.0050 0.0026 15 PRO 29 C 0.0326 0.0040 0.0024 16 PRO 29 O 0.0328 0.0038 0.0024 17 PRO 29 CB 0.0322 0.0063 0.0030 18 PRO 29 CG 0.0310 0.0071 0.0031 19 PRO 29 CD 0.0301 0.0062 0.0026 20 PRO 29 HA 0.0316 0.0049 0.0025 21 PRO 29 HB2 0.0329 0.0062 0.0032 22 PRO 29 HB3 0.0326 0.0067 0.0032 23 PRO 29 HG2 0.0313 0.0078 0.0033 24 PRO 29 HG3 0.0305 0.0076 0.0031 25 PRO 29 HD2 0.0303 0.0061 0.0027 26 PRO 29 HD3 0.0291 0.0065 0.0026 27 ASN 30 N 0.0090 0.0167 -0.0007 28 ASN 30 CA 0.0140 0.0109 0.0006 29 ASN 30 C 0.0115 0.0069 -0.0014 30 ASN 30 O 0.0133 0.0086 -0.0002 31 ASN 30 CB 0.0209 0.0140 0.0044 32 ASN 30 CG 0.0264 0.0085 0.0061 33 ASN 30 OD1 0.0300 0.0047 0.0071 34 ASN 30 ND2 0.0273 0.0081 0.0064 35 ASN 30 H 0.0078 0.0167 -0.0013 36 ASN 30 HA 0.0145 0.0069 0.0001 37 ASN 30 HB2 0.0224 0.0162 0.0056 38 ASN 30 HB3 0.0198 0.0186 0.0048 39 ASN 30 HD21 0.0244 0.0114 0.0056 40 ASN 30 HD22 0.0309 0.0045 0.0074 41 ALA 31 N 0.0049 -0.0164 0.0053 42 ALA 31 CA 0.0039 -0.0179 0.0044 43 ALA 31 C 0.0030 -0.0197 0.0035 44 ALA 31 O 0.0011 -0.0194 0.0029 45 ALA 31 CB 0.0021 -0.0167 0.0042 46 ALA 31 H 0.0046 -0.0165 0.0052 47 ALA 31 HA 0.0051 -0.0187 0.0046 48 ALA 31 HB1 0.0014 -0.0179 0.0036 49 ALA 31 HB2 0.0008 -0.0160 0.0040 50 ALA 31 HB3 0.0027 -0.0155 0.0049 51 GLU 32 N -0.0059 -0.0233 0.0024 52 GLU 32 CA -0.0006 -0.0151 0.0038 53 GLU 32 C 0.0020 -0.0079 0.0044 54 GLU 32 O 0.0082 -0.0015 0.0060 55 GLU 32 CB -0.0065 -0.0098 0.0023 56 GLU 32 CG -0.0160 -0.0054 0.0000 57 GLU 32 CD -0.0214 0.0000 -0.0012 58 GLU 32 OE1 -0.0196 0.0091 -0.0007 59 GLU 32 OE2 -0.0273 -0.0046 -0.0027 60 GLU 32 H -0.0129 -0.0229 0.0007 61 GLU 32 HA 0.0057 -0.0182 0.0053 62 GLU 32 HB2 -0.0023 -0.0039 0.0034 63 GLU 32 HB3 -0.0082 -0.0152 0.0019 64 GLU 32 HG2 -0.0206 -0.0113 -0.0011 65 GLU 32 HG3 -0.0145 -0.0003 0.0005 66 PHE 33 N -0.0124 -0.0066 -0.0041 67 PHE 33 CA -0.0129 -0.0094 -0.0042 68 PHE 33 C -0.0134 -0.0129 -0.0019 69 PHE 33 O -0.0135 -0.0133 -0.0007 70 PHE 33 CB -0.0132 -0.0106 -0.0085 71 PHE 33 CG -0.0135 -0.0119 -0.0107 72 PHE 33 CD1 -0.0141 -0.0156 -0.0104 73 PHE 33 CD2 -0.0131 -0.0093 -0.0130 74 PHE 33 CE1 -0.0144 -0.0167 -0.0124 75 PHE 33 CE2 -0.0133 -0.0104 -0.0149 76 PHE 33 CZ -0.0140 -0.0141 -0.0146 77 PHE 33 H -0.0125 -0.0070 -0.0057 78 PHE 33 HA -0.0126 -0.0082 -0.0030 79 PHE 33 HB2 -0.0136 -0.0129 -0.0085 80 PHE 33 HB3 -0.0128 -0.0082 -0.0100 81 PHE 33 HD1 -0.0144 -0.0176 -0.0087 82 PHE 33 HD2 -0.0126 -0.0063 -0.0132 83 PHE 33 HE1 -0.0149 -0.0197 -0.0121 84 PHE 33 HE2 -0.0130 -0.0084 -0.0167 85 PHE 33 HZ -0.0142 -0.0150 -0.0161 86 ASP 34 N -0.0194 -0.0167 -0.0017 87 ASP 34 CA -0.0198 -0.0131 -0.0033 88 ASP 34 C -0.0149 -0.0117 -0.0013 89 ASP 34 O -0.0125 -0.0150 0.0012 90 ASP 34 CB -0.0235 -0.0154 -0.0043 91 ASP 34 CG -0.0245 -0.0118 -0.0063 92 ASP 34 OD1 -0.0215 -0.0105 -0.0052 93 ASP 34 OD2 -0.0282 -0.0099 -0.0089 94 ASP 34 H -0.0192 -0.0201 -0.0003 95 ASP 34 HA -0.0208 -0.0098 -0.0051 96 ASP 34 HB2 -0.0268 -0.0169 -0.0054 97 ASP 34 HB3 -0.0222 -0.0185 -0.0024 98 PRO 35 N -0.0151 -0.0041 -0.0123 99 PRO 35 CA -0.0067 0.0028 -0.0057 100 PRO 35 C -0.0031 0.0082 -0.0056 101 PRO 35 O 0.0040 0.0144 -0.0005 102 PRO 35 CB -0.0045 0.0105 -0.0104 103 PRO 35 CG -0.0106 0.0113 -0.0218 104 PRO 35 CD -0.0179 0.0009 -0.0226 105 PRO 35 HA -0.0045 -0.0010 0.0023 106 PRO 35 HB2 0.0012 0.0176 -0.0088 107 PRO 35 HB3 -0.0045 0.0076 -0.0073 108 PRO 35 HG2 -0.0092 0.0168 -0.0254 109 PRO 35 HG3 -0.0113 0.0137 -0.0255 110 PRO 35 HD2 -0.0212 0.0014 -0.0288 111 PRO 35 HD3 -0.0213 -0.0031 -0.0239 112 ASP 36 N -0.0063 0.0100 0.0044 113 ASP 36 CA 0.0046 0.0395 -0.0007 114 ASP 36 C 0.0017 0.0248 0.0179 115 ASP 36 O 0.0130 0.0466 0.0342 116 ASP 36 CB 0.0021 0.0515 -0.0457 117 ASP 36 CG 0.0126 0.0809 -0.0530 118 ASP 36 OD1 0.0274 0.1146 -0.0446 119 ASP 36 OD2 0.0062 0.0705 -0.0676 120 ASP 36 H -0.0179 -0.0118 -0.0138 121 ASP 36 HA 0.0169 0.0642 0.0151 122 ASP 36 HB2 0.0050 0.0636 -0.0575 123 ASP 36 HB3 -0.0105 0.0262 -0.0621 124 LEU 37 N -0.0144 -0.0367 0.0128 125 LEU 37 CA -0.0158 -0.0417 0.0170 126 LEU 37 C -0.0091 -0.0418 0.0090 127 LEU 37 O -0.0070 -0.0330 0.0020 128 LEU 37 CB -0.0249 -0.0352 0.0247 129 LEU 37 CG -0.0324 -0.0375 0.0350 130 LEU 37 CD1 -0.0312 -0.0506 0.0403 131 LEU 37 CD2 -0.0337 -0.0327 0.0341 132 LEU 37 H -0.0169 -0.0280 0.0114 133 LEU 37 HA -0.0152 -0.0507 0.0209 134 LEU 37 HB2 -0.0259 -0.0258 0.0212 135 LEU 37 HB3 -0.0249 -0.0376 0.0259 136 LEU 37 HG -0.0381 -0.0329 0.0395 137 LEU 37 HD11 -0.0366 -0.0519 0.0474 138 LEU 37 HD12 -0.0255 -0.0556 0.0359 139 LEU 37 HD13 -0.0309 -0.0536 0.0413 140 LEU 37 HD21 -0.0390 -0.0346 0.0414 141 LEU 37 HD22 -0.0350 -0.0232 0.0308 142 LEU 37 HD23 -0.0280 -0.0371 0.0294 143 PRO 38 N -0.0098 -0.0326 0.0064 144 PRO 38 CA -0.0110 -0.0299 -0.0019 145 PRO 38 C -0.0111 -0.0200 -0.0026 146 PRO 38 O -0.0103 -0.0154 0.0034 147 PRO 38 CB -0.0109 -0.0335 -0.0016 148 PRO 38 CG -0.0100 -0.0406 0.0050 149 PRO 38 CD -0.0091 -0.0379 0.0115 150 PRO 38 HA -0.0117 -0.0326 -0.0073 151 PRO 38 HB2 -0.0107 -0.0283 0.0004 152 PRO 38 HB3 -0.0117 -0.0359 -0.0078 153 PRO 38 HG2 -0.0096 -0.0413 0.0080 154 PRO 38 HG3 -0.0104 -0.0466 0.0019 155 PRO 38 HD2 -0.0084 -0.0341 0.0166 156 PRO 38 HD3 -0.0087 -0.0436 0.0141 157 GLY 39 N -0.0095 -0.0166 -0.0117 158 GLY 39 CA -0.0112 -0.0092 -0.0126 159 GLY 39 C -0.0114 -0.0060 -0.0097 160 GLY 39 O -0.0123 0.0001 -0.0078 161 GLY 39 H -0.0095 -0.0197 -0.0157 162 GLY 39 HA2 -0.0122 -0.0081 -0.0181 163 GLY 39 HA3 -0.0112 -0.0070 -0.0100 164 GLY 40 N -0.0136 -0.0131 -0.0051 165 GLY 40 CA -0.0145 -0.0100 -0.0027 166 GLY 40 C -0.0149 -0.0085 0.0050 167 GLY 40 O -0.0159 -0.0053 0.0078 168 GLY 40 H -0.0123 -0.0179 -0.0064 169 GLY 40 HA2 -0.0136 -0.0134 -0.0038 170 GLY 40 HA3 -0.0158 -0.0053 -0.0055 171 GLY 41 N -0.0142 -0.0065 0.0063 172 GLY 41 CA -0.0134 -0.0040 0.0161 173 GLY 41 C -0.0106 0.0083 0.0158 174 GLY 41 O -0.0095 0.0126 0.0241 175 GLY 41 H -0.0154 -0.0114 -0.0001 176 GLY 41 HA2 -0.0147 -0.0096 0.0159 177 GLY 41 HA3 -0.0136 -0.0054 0.0240 178 LEU 42 N -0.0113 0.0126 0.0079 179 LEU 42 CA -0.0093 0.0296 0.0062 180 LEU 42 C -0.0088 0.0321 0.0004 181 LEU 42 O -0.0073 0.0458 0.0004 182 LEU 42 CB -0.0081 0.0372 -0.0063 183 LEU 42 CG -0.0083 0.0361 -0.0025 184 LEU 42 CD1 -0.0070 0.0438 -0.0162 185 LEU 42 CD2 -0.0079 0.0441 0.0140 186 LEU 42 H -0.0117 0.0069 -0.0020 187 LEU 42 HA -0.0089 0.0358 0.0178 188 LEU 42 HB2 -0.0084 0.0312 -0.0181 189 LEU 42 HB3 -0.0066 0.0499 -0.0075 190 LEU 42 HG -0.0098 0.0233 -0.0019 191 LEU 42 HD11 -0.0072 0.0431 -0.0132 192 LEU 42 HD12 -0.0055 0.0565 -0.0175 193 LEU 42 HD13 -0.0074 0.0374 -0.0276 194 LEU 42 HD21 -0.0064 0.0568 0.0137 195 LEU 42 HD22 -0.0080 0.0433 0.0162 196 LEU 42 HD23 -0.0089 0.0378 0.0237 197 HIS 43 N -0.0033 0.0066 -0.0086 198 HIS 43 CA -0.0029 0.0060 -0.0112 199 HIS 43 C -0.0049 0.0051 -0.0120 200 HIS 43 O -0.0069 0.0044 -0.0122 201 HIS 43 CB -0.0028 0.0056 -0.0125 202 HIS 43 CG -0.0010 0.0065 -0.0117 203 HIS 43 ND1 0.0014 0.0070 -0.0125 204 HIS 43 CD2 -0.0013 0.0069 -0.0101 205 HIS 43 CE1 0.0025 0.0077 -0.0115 206 HIS 43 NE2 0.0009 0.0076 -0.0100 207 HIS 43 H -0.0048 0.0063 -0.0078 208 HIS 43 HA -0.0013 0.0064 -0.0117 209 HIS 43 HB2 -0.0046 0.0051 -0.0124 210 HIS 43 HB3 -0.0023 0.0053 -0.0144 211 HIS 43 HD1 0.0021 0.0070 -0.0137 212 HIS 43 HD2 -0.0029 0.0066 -0.0090 213 HIS 43 HE1 0.0043 0.0082 -0.0119 214 HIS 43 HE2 0.0013 0.0081 -0.0088 215 ARG 44 N 0.0095 0.0165 -0.0193 216 ARG 44 CA -0.0000 0.0084 -0.0178 217 ARG 44 C 0.0041 0.0090 -0.0278 218 ARG 44 O 0.0148 0.0178 -0.0305 219 ARG 44 CB -0.0028 0.0110 -0.0013 220 ARG 44 CG -0.0041 0.0138 0.0116 221 ARG 44 CD -0.0055 0.0173 0.0272 222 ARG 44 NE -0.0061 0.0209 0.0404 223 ARG 44 CZ -0.0088 0.0231 0.0554 224 ARG 44 NH1 -0.0108 0.0224 0.0590 225 ARG 44 NH2 -0.0094 0.0261 0.0668 226 ARG 44 H 0.0177 0.0243 -0.0178 227 ARG 44 HA -0.0083 0.0002 -0.0203 228 ARG 44 HB2 0.0043 0.0176 -0.0003 229 ARG 44 HB3 -0.0112 0.0038 -0.0001 230 ARG 44 HG2 -0.0120 0.0066 0.0113 231 ARG 44 HG3 0.0041 0.0205 0.0095 232 ARG 44 HD2 0.0020 0.0240 0.0269 233 ARG 44 HD3 -0.0139 0.0103 0.0288 234 ARG 44 HE -0.0044 0.0216 0.0378 235 ARG 44 HH11 -0.0105 0.0202 0.0508 236 ARG 44 HH12 -0.0128 0.0241 0.0702 237 ARG 44 HH21 -0.0079 0.0268 0.0647 238 ARG 44 HH22 -0.0114 0.0278 0.0781 239 CYS 45 N -0.0052 0.0038 -0.0203 240 CYS 45 CA -0.0069 0.0021 -0.0178 241 CYS 45 C -0.0080 0.0025 -0.0193 242 CYS 45 O -0.0058 0.0035 -0.0200 243 CYS 45 CB -0.0044 0.0012 -0.0146 244 CYS 45 SG -0.0062 -0.0009 -0.0115 245 CYS 45 H -0.0029 0.0048 -0.0208 246 CYS 45 HA -0.0091 0.0012 -0.0174 247 CYS 45 HB2 -0.0040 0.0008 -0.0135 248 CYS 45 HB3 -0.0019 0.0022 -0.0151 249 LEU 46 N -0.0036 0.0002 -0.0245 250 LEU 46 CA -0.0076 0.0010 -0.0227 251 LEU 46 C -0.0127 -0.0021 -0.0263 252 LEU 46 O -0.0180 -0.0016 -0.0247 253 LEU 46 CB -0.0039 0.0019 -0.0220 254 LEU 46 CG 0.0010 0.0052 -0.0182 255 LEU 46 CD1 0.0047 0.0057 -0.0180 256 LEU 46 CD2 -0.0019 0.0085 -0.0129 257 LEU 46 H 0.0007 -0.0000 -0.0256 258 LEU 46 HA -0.0098 0.0032 -0.0191 259 LEU 46 HB2 -0.0017 -0.0003 -0.0256 260 LEU 46 HB3 -0.0070 0.0024 -0.0207 261 LEU 46 HG 0.0039 0.0047 -0.0194 262 LEU 46 HD11 0.0070 0.0034 -0.0217 263 LEU 46 HD12 0.0080 0.0081 -0.0152 264 LEU 46 HD13 0.0016 0.0060 -0.0171 265 LEU 46 HD21 -0.0042 0.0082 -0.0130 266 LEU 46 HD22 -0.0052 0.0089 -0.0117 267 LEU 46 HD23 0.0017 0.0108 -0.0103 268 ALA 47 N -0.0077 -0.0046 -0.0124 269 ALA 47 CA -0.0069 -0.0070 -0.0094 270 ALA 47 C -0.0039 -0.0094 -0.0101 271 ALA 47 O -0.0030 -0.0115 -0.0077 272 ALA 47 CB -0.0074 -0.0074 -0.0079 273 ALA 47 H -0.0082 -0.0036 -0.0133 274 ALA 47 HA -0.0083 -0.0067 -0.0076 275 ALA 47 HB1 -0.0069 -0.0091 -0.0056 276 ALA 47 HB2 -0.0060 -0.0077 -0.0096 277 ALA 47 HB3 -0.0095 -0.0056 -0.0074 278 CYS 48 N -0.0099 -0.0082 -0.0048 279 CYS 48 CA 0.0003 -0.0033 -0.0049 280 CYS 48 C 0.0025 0.0034 -0.0147 281 CYS 48 O 0.0103 0.0078 -0.0160 282 CYS 48 CB 0.0076 -0.0040 0.0024 283 CYS 48 SG 0.0067 -0.0111 0.0139 284 CYS 48 H -0.0126 -0.0084 -0.0065 285 CYS 48 HA 0.0011 -0.0041 -0.0027 286 CYS 48 HB2 0.0070 -0.0043 0.0024 287 CYS 48 HB3 0.0151 -0.0004 0.0021 288 ALA 49 N -0.0059 0.0089 -0.0185 289 ALA 49 CA -0.0060 0.0132 -0.0213 290 ALA 49 C -0.0031 0.0183 -0.0161 291 ALA 49 O -0.0026 0.0237 -0.0178 292 ALA 49 CB -0.0077 0.0172 -0.0279 293 ALA 49 H -0.0068 0.0037 -0.0183 294 ALA 49 HA -0.0071 0.0095 -0.0222 295 ALA 49 HB1 -0.0066 0.0209 -0.0270 296 ALA 49 HB2 -0.0097 0.0135 -0.0315 297 ALA 49 HB3 -0.0079 0.0201 -0.0300 298 ARG 50 N 0.0112 0.0099 -0.0356 299 ARG 50 CA 0.0238 0.0092 -0.0438 300 ARG 50 C 0.0025 0.0073 -0.0597 301 ARG 50 O -0.0232 0.0077 -0.0531 302 ARG 50 CB 0.0352 0.0121 -0.0182 303 ARG 50 CG 0.0591 0.0141 -0.0018 304 ARG 50 CD 0.0692 0.0169 0.0231 305 ARG 50 NE 0.0918 0.0189 0.0397 306 ARG 50 CZ 0.1029 0.0216 0.0641 307 ARG 50 NH1 0.0944 0.0226 0.0742 308 ARG 50 NH2 0.1227 0.0233 0.0780 309 ARG 50 H -0.0031 0.0114 -0.0204 310 ARG 50 HA 0.0414 0.0079 -0.0580 311 ARG 50 HB2 0.0177 0.0134 -0.0038 312 ARG 50 HB3 0.0433 0.0114 -0.0257 313 ARG 50 HG2 0.0769 0.0128 -0.0159 314 ARG 50 HG3 0.0512 0.0148 0.0060 315 ARG 50 HD2 0.0512 0.0181 0.0370 316 ARG 50 HD3 0.0774 0.0161 0.0151 317 ARG 50 HE 0.0985 0.0181 0.0317 318 ARG 50 HH11 0.0797 0.0213 0.0642 319 ARG 50 HH12 0.1023 0.0246 0.0921 320 ARG 50 HH21 0.1300 0.0226 0.0709 321 ARG 50 HH22 0.1309 0.0253 0.0964 322 TYR 51 N -0.0128 -0.0190 -0.0002 323 TYR 51 CA -0.0110 -0.0136 -0.0045 324 TYR 51 C -0.0132 -0.0164 -0.0182 325 TYR 51 O -0.0176 -0.0267 -0.0217 326 TYR 51 CB -0.0125 -0.0187 0.0032 327 TYR 51 CG -0.0108 -0.0172 0.0173 328 TYR 51 CD1 -0.0136 -0.0257 0.0247 329 TYR 51 CD2 -0.0064 -0.0075 0.0231 330 TYR 51 CE1 -0.0121 -0.0245 0.0374 331 TYR 51 CE2 -0.0049 -0.0062 0.0359 332 TYR 51 CZ -0.0078 -0.0147 0.0430 333 TYR 51 OH -0.0063 -0.0136 0.0557 334 TYR 51 H -0.0161 -0.0274 0.0011 335 TYR 51 HA -0.0072 -0.0043 -0.0032 336 TYR 51 HB2 -0.0163 -0.0279 0.0014 337 TYR 51 HB3 -0.0110 -0.0145 0.0001 338 TYR 51 HD1 -0.0170 -0.0334 0.0203 339 TYR 51 HD2 -0.0042 -0.0007 0.0175 340 TYR 51 HE1 -0.0144 -0.0312 0.0430 341 TYR 51 HE2 -0.0015 0.0015 0.0403 342 TYR 51 HH -0.0091 -0.0211 0.0596 343 PHE 52 N -0.0036 0.0030 -0.0196 344 PHE 52 CA -0.0065 0.0042 -0.0172 345 PHE 52 C -0.0089 0.0009 -0.0169 346 PHE 52 O -0.0091 -0.0021 -0.0181 347 PHE 52 CB -0.0081 0.0058 -0.0155 348 PHE 52 CG -0.0059 0.0091 -0.0157 349 PHE 52 CD1 -0.0035 0.0086 -0.0174 350 PHE 52 CD2 -0.0062 0.0126 -0.0140 351 PHE 52 CE1 -0.0014 0.0116 -0.0176 352 PHE 52 CE2 -0.0041 0.0156 -0.0142 353 PHE 52 CZ -0.0017 0.0151 -0.0159 354 PHE 52 H -0.0037 0.0014 -0.0203 355 PHE 52 HA -0.0059 0.0062 -0.0168 356 PHE 52 HB2 -0.0087 0.0037 -0.0160 357 PHE 52 HB3 -0.0103 0.0066 -0.0137 358 PHE 52 HD1 -0.0032 0.0059 -0.0187 359 PHE 52 HD2 -0.0080 0.0129 -0.0127 360 PHE 52 HE1 0.0004 0.0113 -0.0190 361 PHE 52 HE2 -0.0044 0.0183 -0.0129 362 PHE 52 HZ -0.0001 0.0174 -0.0161 363 ILE 53 N -0.0120 -0.0009 -0.0035 364 ILE 53 CA -0.0165 -0.0081 0.0047 365 ILE 53 C -0.0140 -0.0135 0.0070 366 ILE 53 O -0.0134 -0.0219 0.0127 367 ILE 53 CB -0.0276 -0.0040 0.0091 368 ILE 53 CG1 -0.0319 0.0039 0.0062 369 ILE 53 CG2 -0.0303 -0.0005 0.0084 370 ILE 53 CD1 -0.0428 0.0081 0.0104 371 ILE 53 H -0.0164 0.0056 -0.0053 372 ILE 53 HA -0.0138 -0.0131 0.0065 373 ILE 53 HB -0.0304 -0.0097 0.0151 374 ILE 53 HG12 -0.0289 0.0095 0.0002 375 ILE 53 HG13 -0.0298 0.0010 0.0070 376 ILE 53 HG21 -0.0271 0.0049 0.0023 377 ILE 53 HG22 -0.0276 -0.0063 0.0108 378 ILE 53 HG23 -0.0381 0.0024 0.0114 379 ILE 53 HD11 -0.0460 0.0027 0.0165 380 ILE 53 HD12 -0.0451 0.0136 0.0080 381 ILE 53 HD13 -0.0450 0.0110 0.0098 382 ASP 54 N -0.0028 0.0077 -0.0013 383 ASP 54 CA 0.0019 0.0013 0.0014 384 ASP 54 C 0.0041 -0.0031 -0.0054 385 ASP 54 O 0.0017 -0.0006 -0.0112 386 ASP 54 CB 0.0020 0.0022 0.0081 387 ASP 54 CG 0.0068 -0.0041 0.0117 388 ASP 54 OD1 0.0088 -0.0062 0.0169 389 ASP 54 OD2 0.0086 -0.0071 0.0094 390 ASP 54 H -0.0045 0.0094 -0.0057 391 ASP 54 HA 0.0036 -0.0008 0.0037 392 ASP 54 HB2 0.0003 0.0056 0.0128 393 ASP 54 HB3 0.0004 0.0043 0.0058 394 SER 55 N 0.0076 -0.0018 0.0033 395 SER 55 CA 0.0077 -0.0101 -0.0019 396 SER 55 C 0.0086 -0.0103 0.0015 397 SER 55 O 0.0076 -0.0127 -0.0046 398 SER 55 CB 0.0099 -0.0204 -0.0000 399 SER 55 OG 0.0103 -0.0289 -0.0047 400 SER 55 H 0.0089 -0.0036 0.0078 401 SER 55 HA 0.0056 -0.0087 -0.0100 402 SER 55 HB2 0.0091 -0.0200 -0.0034 403 SER 55 HB3 0.0120 -0.0215 0.0079 404 SER 55 HG 0.0118 -0.0315 0.0001 405 THR 56 N 0.0089 -0.0162 0.0055 406 THR 56 CA 0.0107 -0.0148 0.0156 407 THR 56 C 0.0097 -0.0003 0.0077 408 THR 56 O 0.0093 -0.0026 0.0061 409 THR 56 CB 0.0139 -0.0105 0.0348 410 THR 56 OG1 0.0147 -0.0230 0.0414 411 THR 56 CG2 0.0158 -0.0114 0.0461 412 THR 56 H 0.0100 -0.0133 0.0115 413 THR 56 HA 0.0103 -0.0274 0.0150 414 THR 56 HB 0.0142 0.0029 0.0348 415 THR 56 HG1 0.0142 -0.0184 0.0373 416 THR 56 HG21 0.0181 -0.0082 0.0595 417 THR 56 HG22 0.0154 -0.0247 0.0456 418 THR 56 HG23 0.0152 -0.0021 0.0412 419 ASN 57 N 0.0008 0.0028 0.0062 420 ASN 57 CA -0.0010 0.0117 0.0008 421 ASN 57 C 0.0032 0.0111 -0.0096 422 ASN 57 O 0.0027 0.0171 -0.0150 423 ASN 57 CB -0.0037 0.0160 0.0032 424 ASN 57 CG -0.0091 0.0208 0.0119 425 ASN 57 OD1 -0.0123 0.0290 0.0112 426 ASN 57 ND2 -0.0100 0.0160 0.0200 427 ASN 57 H 0.0007 0.0002 0.0096 428 ASN 57 HA -0.0035 0.0160 0.0025 429 ASN 57 HB2 -0.0019 0.0105 0.0047 430 ASN 57 HB3 -0.0035 0.0206 -0.0027 431 ASN 57 HD21 -0.0075 0.0095 0.0206 432 ASN 57 HD22 -0.0135 0.0191 0.0256 433 LEU 58 N 0.0034 0.0052 -0.0144 434 LEU 58 CA 0.0018 0.0036 -0.0178 435 LEU 58 C 0.0015 -0.0001 -0.0170 436 LEU 58 O 0.0008 -0.0003 -0.0186 437 LEU 58 CB 0.0007 0.0028 -0.0201 438 LEU 58 CG -0.0011 0.0005 -0.0235 439 LEU 58 CD1 -0.0014 -0.0039 -0.0227 440 LEU 58 CD2 -0.0018 0.0020 -0.0258 441 LEU 58 H 0.0037 0.0051 -0.0137 442 LEU 58 HA 0.0015 0.0058 -0.0193 443 LEU 58 HB2 0.0008 0.0056 -0.0209 444 LEU 58 HB3 0.0012 0.0012 -0.0182 445 LEU 58 HG -0.0018 0.0009 -0.0252 446 LEU 58 HD11 -0.0027 -0.0054 -0.0252 447 LEU 58 HD12 -0.0008 -0.0045 -0.0209 448 LEU 58 HD13 -0.0009 -0.0049 -0.0212 449 LEU 58 HD21 -0.0013 0.0014 -0.0243 450 LEU 58 HD22 -0.0031 0.0004 -0.0283 451 LEU 58 HD23 -0.0016 0.0051 -0.0265 452 LYS 59 N 0.0059 -0.0060 -0.0105 453 LYS 59 CA 0.0067 -0.0142 -0.0099 454 LYS 59 C 0.0078 -0.0126 -0.0073 455 LYS 59 O 0.0068 -0.0172 -0.0100 456 LYS 59 CB 0.0096 -0.0208 -0.0047 457 LYS 59 CG 0.0136 -0.0181 0.0038 458 LYS 59 CD 0.0162 -0.0248 0.0083 459 LYS 59 CE 0.0170 -0.0336 0.0089 460 LYS 59 NZ 0.0191 -0.0329 0.0134 461 LYS 59 H 0.0073 -0.0046 -0.0073 462 LYS 59 HA 0.0040 -0.0168 -0.0159 463 LYS 59 HB2 0.0099 -0.0269 -0.0049 464 LYS 59 HB3 0.0085 -0.0219 -0.0071 465 LYS 59 HG2 0.0133 -0.0119 0.0041 466 LYS 59 HG3 0.0148 -0.0174 0.0065 467 LYS 59 HD2 0.0148 -0.0258 0.0053 468 LYS 59 HD3 0.0188 -0.0222 0.0142 469 LYS 59 HE2 0.0143 -0.0361 0.0030 470 LYS 59 HE3 0.0186 -0.0380 0.0117 471 LYS 59 HZ1 0.0218 -0.0310 0.0192 472 LYS 59 HZ2 0.0196 -0.0391 0.0136 473 LYS 59 HZ3 0.0177 -0.0287 0.0111 474 THR 60 N 0.0099 -0.0064 0.0018 475 THR 60 CA 0.0127 -0.0030 0.0068 476 THR 60 C 0.0084 0.0016 -0.0028 477 THR 60 O 0.0086 -0.0002 -0.0020 478 THR 60 CB 0.0181 0.0073 0.0157 479 THR 60 OG1 0.0221 0.0026 0.0246 480 THR 60 CG2 0.0211 0.0111 0.0209 481 THR 60 H 0.0113 -0.0016 0.0037 482 THR 60 HA 0.0140 -0.0114 0.0109 483 THR 60 HB 0.0166 0.0152 0.0110 484 THR 60 HG1 0.0206 0.0023 0.0216 485 THR 60 HG21 0.0248 0.0183 0.0270 486 THR 60 HG22 0.0225 0.0029 0.0253 487 THR 60 HG23 0.0182 0.0146 0.0143 488 HIS 61 N 0.0022 0.0062 -0.0046 489 HIS 61 CA 0.0034 0.0044 -0.0009 490 HIS 61 C 0.0002 0.0051 0.0043 491 HIS 61 O 0.0015 0.0031 0.0084 492 HIS 61 CB 0.0038 0.0048 -0.0033 493 HIS 61 CG 0.0034 0.0040 0.0006 494 HIS 61 ND1 0.0067 0.0011 0.0036 495 HIS 61 CD2 -0.0002 0.0059 0.0023 496 HIS 61 CE1 0.0051 0.0013 0.0068 497 HIS 61 NE2 0.0011 0.0040 0.0061 498 HIS 61 H 0.0013 0.0076 -0.0078 499 HIS 61 HA 0.0067 0.0021 -0.0000 500 HIS 61 HB2 0.0070 0.0034 -0.0057 501 HIS 61 HB3 0.0011 0.0072 -0.0057 502 HIS 61 HD1 0.0097 -0.0007 0.0034 503 HIS 61 HD2 -0.0034 0.0083 0.0008 504 HIS 61 HE1 0.0065 -0.0004 0.0100 505 PHE 62 N -0.0002 -0.0099 -0.0014 506 PHE 62 CA -0.0024 -0.0124 -0.0013 507 PHE 62 C -0.0014 -0.0146 0.0015 508 PHE 62 O -0.0029 -0.0169 0.0020 509 PHE 62 CB -0.0048 -0.0138 -0.0024 510 PHE 62 CG -0.0058 -0.0119 -0.0050 511 PHE 62 CD1 -0.0065 -0.0103 -0.0071 512 PHE 62 CD2 -0.0060 -0.0116 -0.0054 513 PHE 62 CE1 -0.0074 -0.0085 -0.0095 514 PHE 62 CE2 -0.0069 -0.0099 -0.0078 515 PHE 62 CZ -0.0076 -0.0083 -0.0098 516 PHE 62 H 0.0001 -0.0097 -0.0013 517 PHE 62 HA -0.0030 -0.0118 -0.0024 518 PHE 62 HB2 -0.0044 -0.0149 -0.0011 519 PHE 62 HB3 -0.0063 -0.0153 -0.0026 520 PHE 62 HD1 -0.0064 -0.0104 -0.0068 521 PHE 62 HD2 -0.0054 -0.0129 -0.0038 522 PHE 62 HE1 -0.0080 -0.0073 -0.0111 523 PHE 62 HE2 -0.0071 -0.0098 -0.0080 524 PHE 62 HZ -0.0083 -0.0069 -0.0117 525 ARG 63 N -0.0160 -0.0228 -0.0061 526 ARG 63 CA -0.0064 -0.0393 -0.0122 527 ARG 63 C -0.0197 -0.0530 -0.0173 528 ARG 63 O -0.0140 -0.0675 -0.0226 529 ARG 63 CB 0.0107 -0.0367 -0.0111 530 ARG 63 CG 0.0259 -0.0262 -0.0072 531 ARG 63 CD 0.0427 -0.0237 -0.0062 532 ARG 63 NE 0.0506 -0.0404 -0.0123 533 ARG 63 CZ 0.0670 -0.0422 -0.0129 534 ARG 63 NH1 0.0780 -0.0283 -0.0078 535 ARG 63 NH2 0.0723 -0.0578 -0.0187 536 ARG 63 H -0.0140 -0.0126 -0.0023 537 ARG 63 HA -0.0021 -0.0443 -0.0140 538 ARG 63 HB2 0.0066 -0.0299 -0.0086 539 ARG 63 HB3 0.0164 -0.0494 -0.0158 540 ARG 63 HG2 0.0302 -0.0332 -0.0098 541 ARG 63 HG3 0.0203 -0.0136 -0.0025 542 ARG 63 HD2 0.0532 -0.0166 -0.0035 543 ARG 63 HD3 0.0385 -0.0161 -0.0034 544 ARG 63 HE 0.0428 -0.0508 -0.0162 545 ARG 63 HH11 0.0745 -0.0163 -0.0033 546 ARG 63 HH12 0.0904 -0.0293 -0.0081 547 ARG 63 HH21 0.0643 -0.0685 -0.0227 548 ARG 63 HH22 0.0845 -0.0600 -0.0194 549 SER 64 N -0.0089 -0.0199 -0.0165 550 SER 64 CA -0.0091 -0.0224 -0.0140 551 SER 64 C -0.0082 -0.0182 -0.0113 552 SER 64 O -0.0075 -0.0163 -0.0073 553 SER 64 CB -0.0095 -0.0261 -0.0101 554 SER 64 OG -0.0103 -0.0293 -0.0122 555 SER 64 H -0.0087 -0.0198 -0.0148 556 SER 64 HA -0.0097 -0.0243 -0.0168 557 SER 64 HB2 -0.0089 -0.0241 -0.0069 558 SER 64 HB3 -0.0099 -0.0284 -0.0086 559 SER 64 HG -0.0109 -0.0317 -0.0144 560 LYS 65 N -0.0098 -0.0062 0.0030 561 LYS 65 CA -0.0099 -0.0067 0.0027 562 LYS 65 C -0.0035 -0.0052 -0.0018 563 LYS 65 O -0.0029 -0.0082 -0.0044 564 LYS 65 CB -0.0136 -0.0027 0.0088 565 LYS 65 CG -0.0117 0.0048 0.0125 566 LYS 65 CD -0.0050 0.0093 0.0100 567 LYS 65 CE -0.0034 0.0166 0.0139 568 LYS 65 NZ 0.0032 0.0210 0.0113 569 LYS 65 H -0.0113 -0.0030 0.0066 570 LYS 65 HA -0.0126 -0.0120 0.0012 571 LYS 65 HB2 -0.0129 -0.0027 0.0082 572 LYS 65 HB3 -0.0186 -0.0053 0.0112 573 LYS 65 HG2 -0.0149 0.0068 0.0167 574 LYS 65 HG3 -0.0122 0.0051 0.0131 575 LYS 65 HD2 -0.0017 0.0075 0.0058 576 LYS 65 HD3 -0.0046 0.0092 0.0095 577 LYS 65 HE2 -0.0065 0.0185 0.0179 578 LYS 65 HE3 -0.0042 0.0167 0.0146 579 LYS 65 HZ1 0.0042 0.0211 0.0105 580 LYS 65 HZ2 0.0063 0.0195 0.0075 581 LYS 65 HZ3 0.0041 0.0260 0.0141 582 ASP 66 N -0.0063 0.0027 -0.0040 583 ASP 66 CA -0.0061 0.0040 -0.0086 584 ASP 66 C -0.0049 0.0023 -0.0087 585 ASP 66 O -0.0035 0.0015 -0.0125 586 ASP 66 CB -0.0091 0.0087 -0.0095 587 ASP 66 CG -0.0091 0.0104 -0.0147 588 ASP 66 OD1 -0.0088 0.0110 -0.0180 589 ASP 66 OD2 -0.0094 0.0111 -0.0155 590 ASP 66 H -0.0082 0.0047 -0.0016 591 ASP 66 HA -0.0047 0.0029 -0.0114 592 ASP 66 HB2 -0.0100 0.0099 -0.0089 593 ASP 66 HB3 -0.0104 0.0098 -0.0070 594 HIS 67 N -0.0073 -0.0064 -0.0045 595 HIS 67 CA -0.0065 -0.0072 -0.0027 596 HIS 67 C -0.0048 -0.0062 -0.0023 597 HIS 67 O -0.0036 -0.0063 -0.0011 598 HIS 67 CB -0.0075 -0.0083 -0.0024 599 HIS 67 CG -0.0070 -0.0094 -0.0007 600 HIS 67 ND1 -0.0063 -0.0099 0.0006 601 HIS 67 CD2 -0.0075 -0.0102 -0.0001 602 HIS 67 CE1 -0.0065 -0.0111 0.0019 603 HIS 67 NE2 -0.0072 -0.0114 0.0015 604 HIS 67 H -0.0083 -0.0065 -0.0053 605 HIS 67 HA -0.0064 -0.0078 -0.0020 606 HIS 67 HB2 -0.0088 -0.0092 -0.0026 607 HIS 67 HB3 -0.0076 -0.0078 -0.0031 608 HIS 67 HD1 -0.0058 -0.0095 0.0006 609 HIS 67 HD2 -0.0079 -0.0099 -0.0009 610 HIS 67 HE1 -0.0061 -0.0118 0.0031 611 LYS 68 N -0.0047 -0.0078 0.0011 612 LYS 68 CA -0.0036 -0.0079 0.0012 613 LYS 68 C -0.0025 -0.0069 0.0006 614 LYS 68 O -0.0013 -0.0071 0.0007 615 LYS 68 CB -0.0043 -0.0078 0.0012 616 LYS 68 CG -0.0055 -0.0087 0.0018 617 LYS 68 CD -0.0061 -0.0086 0.0017 618 LYS 68 CE -0.0068 -0.0074 0.0008 619 LYS 68 NZ -0.0075 -0.0073 0.0007 620 LYS 68 H -0.0057 -0.0076 0.0009 621 LYS 68 HA -0.0031 -0.0087 0.0018 622 LYS 68 HB2 -0.0047 -0.0070 0.0005 623 LYS 68 HB3 -0.0035 -0.0080 0.0013 624 LYS 68 HG2 -0.0052 -0.0096 0.0024 625 LYS 68 HG3 -0.0063 -0.0086 0.0017 626 LYS 68 HD2 -0.0053 -0.0087 0.0018 627 LYS 68 HD3 -0.0069 -0.0093 0.0021 628 LYS 68 HE2 -0.0076 -0.0073 0.0007 629 LYS 68 HE3 -0.0060 -0.0068 0.0003 630 LYS 68 HZ1 -0.0068 -0.0074 0.0008 631 LYS 68 HZ2 -0.0080 -0.0066 0.0001 632 LYS 68 HZ3 -0.0083 -0.0080 0.0011 633 LYS 69 N 0.0034 0.0019 0.0063 634 LYS 69 CA 0.0045 0.0025 -0.0010 635 LYS 69 C 0.0036 0.0026 -0.0001 636 LYS 69 O 0.0082 0.0018 -0.0032 637 LYS 69 CB -0.0014 0.0046 -0.0060 638 LYS 69 CG -0.0030 0.0059 -0.0131 639 LYS 69 CD -0.0096 0.0080 -0.0165 640 LYS 69 CE -0.0124 0.0095 -0.0235 641 LYS 69 NZ -0.0192 0.0116 -0.0260 642 LYS 69 H -0.0005 0.0028 0.0067 643 LYS 69 HA 0.0098 0.0014 -0.0034 644 LYS 69 HB2 0.0001 0.0044 -0.0076 645 LYS 69 HB3 -0.0065 0.0055 -0.0026 646 LYS 69 HG2 -0.0041 0.0059 -0.0113 647 LYS 69 HG3 0.0018 0.0051 -0.0170 648 LYS 69 HD2 -0.0081 0.0078 -0.0180 649 LYS 69 HD3 -0.0140 0.0086 -0.0122 650 LYS 69 HE2 -0.0137 0.0097 -0.0222 651 LYS 69 HE3 -0.0082 0.0090 -0.0280 652 LYS 69 HZ1 -0.0215 0.0127 -0.0307 653 LYS 69 HZ2 -0.0232 0.0121 -0.0216 654 LYS 69 HZ3 -0.0180 0.0114 -0.0271 655 ARG 70 N -0.0041 0.0063 -0.0002 656 ARG 70 CA -0.0020 0.0067 -0.0048 657 ARG 70 C -0.0007 0.0010 -0.0061 658 ARG 70 O 0.0016 -0.0003 -0.0105 659 ARG 70 CB -0.0027 0.0107 -0.0042 660 ARG 70 CG -0.0005 0.0118 -0.0091 661 ARG 70 CD 0.0013 0.0143 -0.0133 662 ARG 70 NE 0.0035 0.0152 -0.0181 663 ARG 70 CZ 0.0057 0.0151 -0.0227 664 ARG 70 NH1 0.0060 0.0140 -0.0231 665 ARG 70 NH2 0.0076 0.0160 -0.0268 666 ARG 70 H -0.0058 0.0078 0.0029 667 ARG 70 HA -0.0007 0.0084 -0.0078 668 ARG 70 HB2 -0.0039 0.0146 -0.0028 669 ARG 70 HB3 -0.0038 0.0087 -0.0015 670 ARG 70 HG2 -0.0012 0.0147 -0.0084 671 ARG 70 HG3 0.0006 0.0079 -0.0103 672 ARG 70 HD2 0.0019 0.0115 -0.0139 673 ARG 70 HD3 0.0002 0.0183 -0.0121 674 ARG 70 HE 0.0032 0.0161 -0.0178 675 ARG 70 HH11 0.0047 0.0133 -0.0201 676 ARG 70 HH12 0.0077 0.0138 -0.0265 677 ARG 70 HH21 0.0074 0.0168 -0.0265 678 ARG 70 HH22 0.0093 0.0159 -0.0303 679 LEU 71 N -0.0034 0.0027 -0.0006 680 LEU 71 CA -0.0029 0.0013 -0.0004 681 LEU 71 C -0.0019 0.0021 -0.0006 682 LEU 71 O -0.0006 0.0013 -0.0006 683 LEU 71 CB -0.0044 0.0004 -0.0002 684 LEU 71 CG -0.0055 -0.0004 0.0000 685 LEU 71 CD1 -0.0069 -0.0014 0.0003 686 LEU 71 CD2 -0.0045 -0.0015 0.0002 687 LEU 71 H -0.0046 0.0029 -0.0006 688 LEU 71 HA -0.0021 0.0005 -0.0003 689 LEU 71 HB2 -0.0051 0.0013 -0.0003 690 LEU 71 HB3 -0.0039 -0.0005 -0.0000 691 LEU 71 HG -0.0061 0.0006 -0.0001 692 LEU 71 HD11 -0.0064 -0.0023 0.0004 693 LEU 71 HD12 -0.0077 -0.0005 0.0002 694 LEU 71 HD13 -0.0077 -0.0019 0.0004 695 LEU 71 HD21 -0.0036 -0.0008 -0.0000 696 LEU 71 HD22 -0.0039 -0.0025 0.0003 697 LEU 71 HD23 -0.0054 -0.0021 0.0003 698 LYS 72 N 0.0014 0.0066 -0.0036 699 LYS 72 CA -0.0047 0.0036 -0.0005 700 LYS 72 C -0.0055 0.0034 -0.0009 701 LYS 72 O -0.0111 0.0018 -0.0024 702 LYS 72 CB -0.0044 0.0017 0.0071 703 LYS 72 CG -0.0107 -0.0015 0.0108 704 LYS 72 CD -0.0101 -0.0033 0.0181 705 LYS 72 CE -0.0164 -0.0065 0.0219 706 LYS 72 NZ -0.0161 -0.0082 0.0289 707 LYS 72 H 0.0051 0.0071 -0.0007 708 LYS 72 HA -0.0090 0.0028 -0.0035 709 LYS 72 HB2 -0.0037 0.0019 0.0072 710 LYS 72 HB3 -0.0000 0.0025 0.0099 711 LYS 72 HG2 -0.0111 -0.0018 0.0112 712 LYS 72 HG3 -0.0152 -0.0023 0.0079 713 LYS 72 HD2 -0.0096 -0.0030 0.0178 714 LYS 72 HD3 -0.0057 -0.0025 0.0211 715 LYS 72 HE2 -0.0168 -0.0067 0.0224 716 LYS 72 HE3 -0.0208 -0.0072 0.0188 717 LYS 72 HZ1 -0.0119 -0.0075 0.0320 718 LYS 72 HZ2 -0.0158 -0.0080 0.0285 719 LYS 72 HZ3 -0.0205 -0.0104 0.0314 720 GLN 73 N -0.0010 0.0058 -0.0075 721 GLN 73 CA 0.0002 0.0071 -0.0108 722 GLN 73 C 0.0009 0.0061 -0.0140 723 GLN 73 O 0.0015 0.0050 -0.0169 724 GLN 73 CB 0.0010 0.0112 -0.0104 725 GLN 73 CG 0.0005 0.0124 -0.0074 726 GLN 73 CD 0.0013 0.0166 -0.0070 727 GLN 73 OE1 0.0020 0.0186 -0.0078 728 GLN 73 NE2 0.0012 0.0178 -0.0058 729 GLN 73 H -0.0011 0.0076 -0.0056 730 GLN 73 HA 0.0001 0.0057 -0.0112 731 GLN 73 HB2 0.0012 0.0125 -0.0099 732 GLN 73 HB3 0.0019 0.0121 -0.0129 733 GLN 73 HG2 0.0004 0.0113 -0.0079 734 GLN 73 HG3 -0.0004 0.0115 -0.0049 735 GLN 73 HE21 0.0007 0.0160 -0.0052 736 GLN 73 HE22 0.0017 0.0204 -0.0055 737 LEU 74 N 0.0011 0.0086 -0.0100 738 LEU 74 CA 0.0023 0.0072 -0.0131 739 LEU 74 C 0.0008 0.0035 -0.0142 740 LEU 74 O 0.0017 0.0019 -0.0170 741 LEU 74 CB 0.0029 0.0082 -0.0131 742 LEU 74 CG 0.0044 0.0072 -0.0163 743 LEU 74 CD1 0.0068 0.0087 -0.0187 744 LEU 74 CD2 0.0048 0.0083 -0.0159 745 LEU 74 H 0.0003 0.0092 -0.0081 746 LEU 74 HA 0.0040 0.0082 -0.0147 747 LEU 74 HB2 0.0038 0.0107 -0.0120 748 LEU 74 HB3 0.0012 0.0069 -0.0116 749 LEU 74 HG 0.0035 0.0046 -0.0173 750 LEU 74 HD11 0.0079 0.0080 -0.0209 751 LEU 74 HD12 0.0078 0.0113 -0.0177 752 LEU 74 HD13 0.0066 0.0078 -0.0191 753 LEU 74 HD21 0.0058 0.0109 -0.0149 754 LEU 74 HD22 0.0059 0.0077 -0.0181 755 LEU 74 HD23 0.0031 0.0072 -0.0143 756 SER 75 N -0.0031 0.0095 -0.0049 757 SER 75 CA -0.0034 0.0120 -0.0050 758 SER 75 C -0.0029 0.0130 -0.0063 759 SER 75 O -0.0032 0.0151 -0.0061 760 SER 75 CB -0.0045 0.0130 -0.0028 761 SER 75 OG -0.0048 0.0154 -0.0030 762 SER 75 H -0.0026 0.0086 -0.0058 763 SER 75 HA -0.0030 0.0124 -0.0059 764 SER 75 HB2 -0.0048 0.0122 -0.0021 765 SER 75 HB3 -0.0049 0.0126 -0.0019 766 SER 75 HG -0.0052 0.0158 -0.0020 767 VAL 76 N -0.0017 0.0063 -0.0025 768 VAL 76 CA -0.0023 0.0051 -0.0028 769 VAL 76 C -0.0028 0.0061 -0.0038 770 VAL 76 O -0.0025 0.0061 -0.0034 771 VAL 76 CB -0.0033 0.0036 -0.0036 772 VAL 76 CG1 -0.0040 0.0024 -0.0040 773 VAL 76 CG2 -0.0029 0.0025 -0.0027 774 VAL 76 H -0.0020 0.0062 -0.0028 775 VAL 76 HA -0.0017 0.0044 -0.0018 776 VAL 76 HB -0.0039 0.0043 -0.0045 777 VAL 76 HG11 -0.0047 0.0014 -0.0045 778 VAL 76 HG12 -0.0034 0.0017 -0.0030 779 VAL 76 HG13 -0.0044 0.0031 -0.0047 780 VAL 76 HG21 -0.0036 0.0016 -0.0032 781 VAL 76 HG22 -0.0024 0.0034 -0.0024 782 VAL 76 HG23 -0.0022 0.0019 -0.0017 783 GLU 77 N 0.0007 0.0047 0.0055 784 GLU 77 CA -0.0003 0.0059 0.0044 785 GLU 77 C -0.0007 0.0082 0.0038 786 GLU 77 O -0.0017 0.0084 0.0028 787 GLU 77 CB -0.0019 0.0045 0.0029 788 GLU 77 CG -0.0028 0.0035 0.0021 789 GLU 77 CD -0.0044 0.0022 0.0006 790 GLU 77 OE1 -0.0044 0.0003 0.0008 791 GLU 77 OE2 -0.0057 0.0031 -0.0008 792 GLU 77 H 0.0006 0.0048 0.0053 793 GLU 77 HA 0.0003 0.0063 0.0050 794 GLU 77 HB2 -0.0027 0.0057 0.0020 795 GLU 77 HB3 -0.0017 0.0032 0.0033 796 GLU 77 HG2 -0.0021 0.0023 0.0029 797 GLU 77 HG3 -0.0031 0.0048 0.0017 798 PRO 78 N -0.0002 0.0207 0.0073 799 PRO 78 CA -0.0018 0.0206 0.0105 800 PRO 78 C -0.0024 0.0216 0.0081 801 PRO 78 O -0.0044 0.0236 0.0050 802 PRO 78 CB -0.0059 0.0222 0.0125 803 PRO 78 CG -0.0057 0.0225 0.0113 804 PRO 78 CD -0.0030 0.0223 0.0070 805 PRO 78 HA 0.0002 0.0188 0.0130 806 PRO 78 HB2 -0.0083 0.0239 0.0111 807 PRO 78 HB3 -0.0063 0.0214 0.0160 808 PRO 78 HG2 -0.0087 0.0242 0.0110 809 PRO 78 HG3 -0.0045 0.0211 0.0138 810 PRO 78 HD2 -0.0048 0.0240 0.0043 811 PRO 78 HD3 -0.0015 0.0215 0.0067 812 TYR 79 N 0.0091 0.0125 0.0247 813 TYR 79 CA 0.0056 0.0159 0.0120 814 TYR 79 C 0.0078 0.0079 0.0003 815 TYR 79 O 0.0057 0.0106 -0.0054 816 TYR 79 CB -0.0013 0.0297 0.0098 817 TYR 79 CG -0.0037 0.0377 0.0203 818 TYR 79 CD1 -0.0040 0.0420 0.0321 819 TYR 79 CD2 -0.0055 0.0409 0.0183 820 TYR 79 CE1 -0.0061 0.0491 0.0417 821 TYR 79 CE2 -0.0076 0.0481 0.0278 822 TYR 79 CZ -0.0079 0.0521 0.0395 823 TYR 79 OH -0.0099 0.0593 0.0492 824 TYR 79 H 0.0120 0.0085 0.0310 825 TYR 79 HA 0.0069 0.0135 0.0126 826 TYR 79 HB2 -0.0025 0.0324 0.0101 827 TYR 79 HB3 -0.0035 0.0314 0.0000 828 TYR 79 HD1 -0.0026 0.0396 0.0338 829 TYR 79 HD2 -0.0052 0.0377 0.0091 830 TYR 79 HE1 -0.0063 0.0523 0.0508 831 TYR 79 HE2 -0.0090 0.0505 0.0261 832 TYR 79 HH -0.0078 0.0551 0.0502 833 SER 80 N 0.0087 0.0025 0.0043 834 SER 80 CA 0.0070 0.0011 0.0050 835 SER 80 C 0.0068 0.0013 0.0026 836 SER 80 O 0.0084 0.0027 0.0006 837 SER 80 CB 0.0044 -0.0008 0.0052 838 SER 80 OG 0.0026 -0.0023 0.0062 839 SER 80 H 0.0082 0.0023 0.0026 840 SER 80 HA 0.0075 0.0013 0.0072 841 SER 80 HB2 0.0047 -0.0008 0.0068 842 SER 80 HB3 0.0038 -0.0010 0.0030 843 SER 80 HG 0.0029 -0.0023 0.0084 844 GLN 81 N 0.0026 -0.0120 0.0066 845 GLN 81 CA 0.0001 -0.0119 0.0054 846 GLN 81 C -0.0007 -0.0097 0.0046 847 GLN 81 O 0.0004 -0.0090 0.0050 848 GLN 81 CB -0.0012 -0.0145 0.0051 849 GLN 81 CG -0.0039 -0.0147 0.0038 850 GLN 81 CD -0.0052 -0.0171 0.0035 851 GLN 81 OE1 -0.0046 -0.0182 0.0040 852 GLN 81 NE2 -0.0071 -0.0179 0.0028 853 GLN 81 H 0.0034 -0.0134 0.0072 854 GLN 81 HA -0.0003 -0.0115 0.0051 855 GLN 81 HB2 -0.0004 -0.0161 0.0058 856 GLN 81 HB3 -0.0010 -0.0147 0.0053 857 GLN 81 HG2 -0.0046 -0.0130 0.0032 858 GLN 81 HG3 -0.0041 -0.0146 0.0037 859 GLN 81 HE21 -0.0074 -0.0170 0.0025 860 GLN 81 HE22 -0.0080 -0.0195 0.0025 861 GLU 82 N -0.0103 0.0005 -0.0010 862 GLU 82 CA -0.0120 0.0040 -0.0037 863 GLU 82 C -0.0091 0.0088 -0.0033 864 GLU 82 O -0.0100 0.0123 -0.0052 865 GLU 82 CB -0.0132 0.0022 -0.0041 866 GLU 82 CG -0.0152 0.0054 -0.0068 867 GLU 82 CD -0.0165 0.0032 -0.0070 868 GLU 82 OE1 -0.0140 0.0033 -0.0050 869 GLU 82 OE2 -0.0200 0.0015 -0.0092 870 GLU 82 H -0.0112 -0.0002 -0.0016 871 GLU 82 HA -0.0145 0.0043 -0.0059 872 GLU 82 HB2 -0.0153 -0.0012 -0.0044 873 GLU 82 HB3 -0.0107 0.0016 -0.0018 874 GLU 82 HG2 -0.0131 0.0087 -0.0064 875 GLU 82 HG3 -0.0177 0.0060 -0.0090 876 GLU 83 N 0.0074 0.0074 -0.0123 877 GLU 83 CA 0.0146 0.0122 -0.0143 878 GLU 83 C 0.0232 0.0172 -0.0096 879 GLU 83 O 0.0292 0.0215 -0.0152 880 GLU 83 CB 0.0128 0.0107 -0.0102 881 GLU 83 CG 0.0201 0.0154 -0.0119 882 GLU 83 CD 0.0175 0.0135 -0.0089 883 GLU 83 OE1 0.0176 0.0127 0.0004 884 GLU 83 OE2 0.0153 0.0128 -0.0158 885 GLU 83 H 0.0065 0.0062 -0.0051 886 GLU 83 HA 0.0151 0.0133 -0.0226 887 GLU 83 HB2 0.0069 0.0073 -0.0140 888 GLU 83 HB3 0.0119 0.0094 -0.0020 889 GLU 83 HG2 0.0259 0.0187 -0.0073 890 GLU 83 HG3 0.0215 0.0171 -0.0200 891 ALA 84 N 0.0176 0.0137 -0.0021 892 ALA 84 CA 0.0291 0.0147 0.0058 893 ALA 84 C 0.0246 0.0114 0.0123 894 ALA 84 O 0.0310 0.0103 0.0222 895 ALA 84 CB 0.0351 0.0134 0.0162 896 ALA 84 H 0.0113 0.0103 0.0026 897 ALA 84 HA 0.0364 0.0190 -0.0011 898 ALA 84 HB1 0.0434 0.0141 0.0221 899 ALA 84 HB2 0.0276 0.0091 0.0228 900 ALA 84 HB3 0.0390 0.0161 0.0111 901 GLU 85 N 0.0115 -0.0043 0.0076 902 GLU 85 CA 0.0001 -0.0103 0.0113 903 GLU 85 C -0.0111 -0.0022 0.0064 904 GLU 85 O -0.0151 -0.0011 0.0057 905 GLU 85 CB -0.0006 -0.0210 0.0179 906 GLU 85 CG -0.0108 -0.0293 0.0230 907 GLU 85 CD -0.0249 -0.0260 0.0211 908 GLU 85 OE1 -0.0297 -0.0285 0.0226 909 GLU 85 OE2 -0.0314 -0.0210 0.0180 910 GLU 85 H 0.0099 0.0029 0.0032 911 GLU 85 HA 0.0002 -0.0123 0.0125 912 GLU 85 HB2 0.0089 -0.0251 0.0204 913 GLU 85 HB3 -0.0027 -0.0186 0.0164 914 GLU 85 HG2 -0.0095 -0.0286 0.0226 915 GLU 85 HG3 -0.0083 -0.0375 0.0281 916 ARG 86 N -0.0184 0.0019 0.0132 917 ARG 86 CA -0.0272 0.0083 0.0070 918 ARG 86 C -0.0326 0.0075 0.0129 919 ARG 86 O -0.0267 0.0024 0.0186 920 ARG 86 CB -0.0217 0.0127 -0.0063 921 ARG 86 CG -0.0084 0.0089 -0.0089 922 ARG 86 CD -0.0069 0.0060 -0.0041 923 ARG 86 NE 0.0061 0.0019 -0.0059 924 ARG 86 CZ 0.0108 -0.0024 -0.0008 925 ARG 86 NH1 0.0035 -0.0030 0.0062 926 ARG 86 NH2 0.0228 -0.0060 -0.0027 927 ARG 86 H -0.0113 -0.0017 0.0151 928 ARG 86 HA -0.0347 0.0111 0.0072 929 ARG 86 HB2 -0.0275 0.0168 -0.0101 930 ARG 86 HB3 -0.0219 0.0150 -0.0109 931 ARG 86 HG2 -0.0055 0.0124 -0.0183 932 ARG 86 HG3 -0.0025 0.0048 -0.0050 933 ARG 86 HD2 -0.0105 0.0028 0.0052 934 ARG 86 HD3 -0.0120 0.0102 -0.0087 935 ARG 86 HE 0.0116 0.0024 -0.0112 936 ARG 86 HH11 -0.0057 -0.0004 0.0079 937 ARG 86 HH12 0.0068 -0.0061 0.0100 938 ARG 86 HH21 0.0285 -0.0056 -0.0079 939 ARG 86 HH22 0.0267 -0.0093 0.0010 940 ALA 87 N -0.0147 -0.0037 0.0010 941 ALA 87 CA -0.0015 -0.0044 -0.0082 942 ALA 87 C 0.0024 -0.0154 -0.0088 943 ALA 87 O 0.0120 -0.0237 -0.0139 944 ALA 87 CB 0.0044 -0.0093 -0.0114 945 ALA 87 H -0.0180 -0.0118 0.0049 946 ALA 87 HA 0.0009 0.0063 -0.0120 947 ALA 87 HB1 0.0017 -0.0199 -0.0074 948 ALA 87 HB2 0.0015 -0.0014 -0.0109 949 ALA 87 HB3 0.0142 -0.0102 -0.0181 950 ALA 88 N 0.0234 -0.0139 -0.0179 951 ALA 88 CA 0.0199 -0.0248 0.0036 952 ALA 88 C -0.0046 -0.0064 0.0021 953 ALA 88 O -0.0298 0.0012 0.0188 954 ALA 88 CB 0.0148 -0.0408 0.0352 955 ALA 88 H 0.0061 -0.0011 -0.0187 956 ALA 88 HA 0.0397 -0.0350 -0.0026 957 ALA 88 HB1 -0.0051 -0.0307 0.0418 958 ALA 88 HB2 0.0327 -0.0537 0.0356 959 ALA 88 HB3 0.0130 -0.0491 0.0507 960 GLY 89 N -0.0222 0.0045 -0.0174 961 GLY 89 CA -0.0202 0.0081 -0.0187 962 GLY 89 C -0.0197 0.0083 -0.0226 963 GLY 89 O -0.0204 0.0064 -0.0256 964 GLY 89 H -0.0230 0.0027 -0.0185 965 GLY 89 HA2 -0.0197 0.0090 -0.0191 966 GLY 89 HA3 -0.0196 0.0098 -0.0165 967 MET 90 N 0.0093 -0.0083 0.0117 968 MET 90 CA 0.0022 -0.0091 0.0093 969 MET 90 C -0.0078 -0.0051 0.0224 970 MET 90 O -0.0024 -0.0014 0.0335 971 MET 90 CB 0.0145 -0.0101 0.0058 972 MET 90 CG 0.0084 -0.0120 0.0001 973 MET 90 SD -0.0039 -0.0081 0.0127 974 MET 90 CE -0.0069 -0.0114 0.0027 975 MET 90 H 0.0066 -0.0105 0.0049 976 MET 90 HA -0.0053 -0.0122 0.0001 977 MET 90 HB2 0.0222 -0.0127 -0.0024 978 MET 90 HB3 0.0210 -0.0069 0.0156 979 MET 90 HG2 0.0019 -0.0153 -0.0097 980 MET 90 HG3 0.0181 -0.0128 -0.0027 981 MET 90 HE1 -0.0125 -0.0148 -0.0075 982 MET 90 HE2 -0.0142 -0.0095 0.0091 983 MET 90 HE3 0.0039 -0.0119 0.0006 984 GLY 91 N -0.0043 -0.0033 0.0124 985 GLY 91 CA -0.0005 0.0063 0.0004 986 GLY 91 C 0.0000 0.0062 0.0010 987 GLY 91 O 0.0119 0.0107 0.0024 988 GLY 91 H 0.0021 -0.0062 0.0214 989 GLY 91 HA2 -0.0088 0.0084 -0.0085 990 GLY 91 HA3 0.0103 0.0117 -0.0003 991 SER 92 N -0.0021 0.0167 -0.0132 992 SER 92 CA -0.0048 0.0134 -0.0100 993 SER 92 C -0.0119 0.0177 -0.0135 994 SER 92 O -0.0193 0.0194 -0.0146 995 SER 92 CB -0.0085 0.0066 -0.0035 996 SER 92 OG -0.0017 0.0026 -0.0003 997 SER 92 H -0.0066 0.0176 -0.0138 998 SER 92 HA 0.0011 0.0125 -0.0096 999 SER 92 HB2 -0.0145 0.0074 -0.0038 1000 SER 92 HB3 -0.0103 0.0040 -0.0010 1001 SER 92 HG 0.0029 0.0057 -0.0034 1002 TYR 93 N 0.0062 -0.0073 0.0182 1003 TYR 93 CA 0.0039 -0.0057 0.0159 1004 TYR 93 C 0.0040 -0.0074 0.0184 1005 TYR 93 O 0.0069 -0.0094 0.0212 1006 TYR 93 CB 0.0067 -0.0030 0.0119 1007 TYR 93 CG 0.0043 -0.0010 0.0089 1008 TYR 93 CD1 0.0010 0.0009 0.0062 1009 TYR 93 CD2 0.0053 -0.0009 0.0088 1010 TYR 93 CE1 -0.0012 0.0028 0.0035 1011 TYR 93 CE2 0.0030 0.0010 0.0060 1012 TYR 93 CZ -0.0002 0.0029 0.0034 1013 TYR 93 OH -0.0024 0.0048 0.0007 1014 TYR 93 H 0.0097 -0.0077 0.0187 1015 TYR 93 HA 0.0002 -0.0053 0.0153 1016 TYR 93 HB2 0.0072 -0.0021 0.0105 1017 TYR 93 HB3 0.0102 -0.0035 0.0126 1018 TYR 93 HD1 0.0002 0.0009 0.0063 1019 TYR 93 HD2 0.0078 -0.0023 0.0108 1020 TYR 93 HE1 -0.0037 0.0043 0.0014 1021 TYR 93 HE2 0.0038 0.0011 0.0059 1022 TYR 93 HH -0.0037 0.0038 0.0021 1023 VAL 94 N 0.0020 0.0044 -0.0224 1024 VAL 94 CA 0.0027 -0.0011 -0.0134 1025 VAL 94 C 0.0071 -0.0112 -0.0146 1026 VAL 94 O 0.0083 -0.0135 -0.0164 1027 VAL 94 CB -0.0004 0.0028 -0.0049 1028 VAL 94 CG1 -0.0004 0.0038 -0.0072 1029 VAL 94 CG2 0.0003 -0.0030 0.0045 1030 VAL 94 H 0.0001 0.0093 -0.0229 1031 VAL 94 HA 0.0023 -0.0010 -0.0116 1032 VAL 94 HB -0.0033 0.0094 -0.0039 1033 VAL 94 HG11 -0.0026 0.0065 -0.0011 1034 VAL 94 HG12 0.0025 -0.0028 -0.0085 1035 VAL 94 HG13 -0.0012 0.0083 -0.0135 1036 VAL 94 HG21 0.0033 -0.0098 0.0036 1037 VAL 94 HG22 -0.0018 -0.0002 0.0102 1038 VAL 94 HG23 0.0000 -0.0031 0.0063