1 ASP 28 N 0.1074 -0.0037 0.0125 2 ASP 28 CA 0.0429 -0.0206 0.0086 3 ASP 28 C 0.0164 -0.0175 0.0032 4 ASP 28 O 0.0281 0.0257 -0.0114 5 ASP 28 CB 0.0101 0.0184 -0.0114 6 ASP 28 CG -0.0568 0.0033 -0.0164 7 ASP 28 OD1 -0.0741 -0.0436 -0.0013 8 ASP 28 OD2 -0.0929 0.0389 -0.0357 9 ASP 28 H 0.1268 -0.0047 0.0160 10 ASP 28 HA 0.0383 -0.0643 0.0246 11 ASP 28 HB2 0.0295 0.0153 -0.0072 12 ASP 28 HB3 0.0163 0.0621 -0.0271 13 PRO 29 N -0.0114 -0.0063 0.0151 14 PRO 29 CA -0.0017 -0.0090 0.0197 15 PRO 29 C 0.0129 -0.0237 0.0302 16 PRO 29 O 0.0246 -0.0227 0.0343 17 PRO 29 CB 0.0087 0.0112 0.0169 18 PRO 29 CG -0.0005 0.0252 0.0087 19 PRO 29 CD -0.0076 0.0141 0.0097 20 PRO 29 HA -0.0120 -0.0136 0.0173 21 PRO 29 HB2 0.0238 0.0111 0.0228 22 PRO 29 HB3 0.0070 0.0143 0.0152 23 PRO 29 HG2 0.0100 0.0374 0.0087 24 PRO 29 HG3 -0.0124 0.0305 0.0024 25 PRO 29 HD2 0.0033 0.0155 0.0134 26 PRO 29 HD3 -0.0207 0.0194 0.0029 27 ASN 30 N -0.0353 0.0430 -0.0787 28 ASN 30 CA -0.0222 0.0210 -0.0375 29 ASN 30 C -0.0096 0.0166 -0.0181 30 ASN 30 O 0.0229 0.0344 -0.0034 31 ASN 30 CB 0.0071 0.0343 -0.0210 32 ASN 30 CG 0.0237 0.0136 0.0224 33 ASN 30 OD1 0.0099 -0.0115 0.0374 34 ASN 30 ND2 0.0533 0.0242 0.0426 35 ASN 30 H -0.0590 0.0341 -0.0944 36 ASN 30 HA -0.0452 -0.0044 -0.0325 37 ASN 30 HB2 -0.0052 0.0336 -0.0338 38 ASN 30 HB3 0.0272 0.0609 -0.0307 39 ASN 30 HD21 0.0636 0.0450 0.0290 40 ASN 30 HD22 0.0641 0.0111 0.0705 41 ALA 31 N -0.0099 -0.0402 0.0124 42 ALA 31 CA -0.0076 -0.0355 0.0138 43 ALA 31 C -0.0057 -0.0333 0.0143 44 ALA 31 O -0.0016 -0.0340 0.0131 45 ALA 31 CB -0.0033 -0.0355 0.0128 46 ALA 31 H -0.0095 -0.0417 0.0117 47 ALA 31 HA -0.0104 -0.0334 0.0153 48 ALA 31 HB1 -0.0018 -0.0320 0.0140 49 ALA 31 HB2 -0.0005 -0.0376 0.0114 50 ALA 31 HB3 -0.0047 -0.0371 0.0125 51 GLU 32 N -0.0103 -0.0718 -0.0051 52 GLU 32 CA 0.0117 -0.0356 0.0027 53 GLU 32 C 0.0239 -0.0058 0.0075 54 GLU 32 O 0.0502 0.0223 0.0160 55 GLU 32 CB -0.0155 -0.0117 -0.0038 56 GLU 32 CG -0.0560 0.0069 -0.0141 57 GLU 32 CD -0.0805 0.0316 -0.0198 58 GLU 32 OE1 -0.0736 0.0711 -0.0160 59 GLU 32 OE2 -0.1067 0.0122 -0.0279 60 GLU 32 H -0.0407 -0.0703 -0.0135 61 GLU 32 HA 0.0386 -0.0490 0.0095 62 GLU 32 HB2 0.0023 0.0145 0.0024 63 GLU 32 HB3 -0.0231 -0.0342 -0.0069 64 GLU 32 HG2 -0.0749 -0.0191 -0.0206 65 GLU 32 HG3 -0.0486 0.0285 -0.0111 66 PHE 33 N 0.0094 0.0068 0.0041 67 PHE 33 CA 0.0098 0.0125 0.0037 68 PHE 33 C 0.0156 0.0020 0.0072 69 PHE 33 O 0.0174 -0.0102 0.0093 70 PHE 33 CB -0.0041 0.0158 -0.0027 71 PHE 33 CG -0.0137 0.0034 -0.0056 72 PHE 33 CD1 -0.0149 -0.0067 -0.0050 73 PHE 33 CD2 -0.0213 0.0019 -0.0087 74 PHE 33 CE1 -0.0235 -0.0180 -0.0076 75 PHE 33 CE2 -0.0299 -0.0094 -0.0113 76 PHE 33 CZ -0.0311 -0.0194 -0.0107 77 PHE 33 H 0.0029 -0.0004 0.0020 78 PHE 33 HA 0.0157 0.0222 0.0052 79 PHE 33 HB2 -0.0039 0.0187 -0.0029 80 PHE 33 HB3 -0.0075 0.0243 -0.0051 81 PHE 33 HD1 -0.0090 -0.0057 -0.0026 82 PHE 33 HD2 -0.0205 0.0097 -0.0091 83 PHE 33 HE1 -0.0244 -0.0259 -0.0072 84 PHE 33 HE2 -0.0359 -0.0104 -0.0137 85 PHE 33 HZ -0.0378 -0.0283 -0.0127 86 ASP 34 N 0.0139 0.0196 -0.0010 87 ASP 34 CA 0.0133 0.0175 0.0002 88 ASP 34 C 0.0094 0.0168 -0.0010 89 ASP 34 O 0.0078 0.0188 -0.0032 90 ASP 34 CB 0.0154 0.0190 0.0001 91 ASP 34 CG 0.0152 0.0168 0.0016 92 ASP 34 OD1 0.0125 0.0162 0.0008 93 ASP 34 OD2 0.0177 0.0157 0.0036 94 ASP 34 H 0.0140 0.0217 -0.0026 95 ASP 34 HA 0.0140 0.0154 0.0021 96 ASP 34 HB2 0.0181 0.0198 0.0007 97 ASP 34 HB3 0.0145 0.0209 -0.0018 98 PRO 35 N -0.0017 0.0026 0.0102 99 PRO 35 CA -0.0136 0.0024 0.0093 100 PRO 35 C -0.0128 0.0084 0.0076 101 PRO 35 O -0.0223 0.0083 0.0069 102 PRO 35 CB -0.0166 -0.0114 0.0132 103 PRO 35 CG -0.0037 -0.0170 0.0158 104 PRO 35 CD 0.0052 -0.0092 0.0142 105 PRO 35 HA -0.0213 0.0067 0.0075 106 PRO 35 HB2 -0.0224 -0.0131 0.0132 107 PRO 35 HB3 -0.0217 -0.0146 0.0138 108 PRO 35 HG2 -0.0005 -0.0167 0.0160 109 PRO 35 HG3 -0.0041 -0.0264 0.0186 110 PRO 35 HD2 0.0145 -0.0078 0.0145 111 PRO 35 HD3 0.0064 -0.0135 0.0155 112 ASP 36 N 0.0285 0.0786 -0.0213 113 ASP 36 CA 0.0117 0.0303 -0.0123 114 ASP 36 C 0.0143 -0.0098 -0.0161 115 ASP 36 O 0.0207 -0.0547 -0.0227 116 ASP 36 CB -0.0337 0.0349 0.0188 117 ASP 36 CG -0.0533 -0.0146 0.0296 118 ASP 36 OD1 -0.0428 -0.0313 0.0216 119 ASP 36 OD2 -0.0802 -0.0378 0.0468 120 ASP 36 H 0.0110 0.0987 -0.0084 121 ASP 36 HA 0.0306 0.0196 -0.0258 122 ASP 36 HB2 -0.0340 0.0622 0.0204 123 ASP 36 HB3 -0.0521 0.0487 0.0320 124 LEU 37 N 0.0068 0.0091 -0.0069 125 LEU 37 CA 0.0072 0.0064 -0.0086 126 LEU 37 C 0.0107 0.0055 -0.0100 127 LEU 37 O 0.0132 0.0074 -0.0097 128 LEU 37 CB 0.0064 0.0065 -0.0083 129 LEU 37 CG 0.0027 0.0064 -0.0073 130 LEU 37 CD1 0.0007 0.0035 -0.0084 131 LEU 37 CD2 0.0012 0.0091 -0.0054 132 LEU 37 H 0.0074 0.0110 -0.0060 133 LEU 37 HA 0.0055 0.0046 -0.0091 134 LEU 37 HB2 0.0077 0.0086 -0.0075 135 LEU 37 HB3 0.0074 0.0047 -0.0096 136 LEU 37 HG 0.0026 0.0063 -0.0073 137 LEU 37 HD11 -0.0019 0.0035 -0.0077 138 LEU 37 HD12 0.0008 0.0034 -0.0085 139 LEU 37 HD13 0.0017 0.0016 -0.0097 140 LEU 37 HD21 -0.0014 0.0089 -0.0048 141 LEU 37 HD22 0.0025 0.0111 -0.0046 142 LEU 37 HD23 0.0013 0.0092 -0.0054 143 PRO 38 N 0.0157 -0.0071 -0.0101 144 PRO 38 CA 0.0172 -0.0081 -0.0090 145 PRO 38 C 0.0157 -0.0090 -0.0087 146 PRO 38 O 0.0137 -0.0099 -0.0085 147 PRO 38 CB 0.0179 -0.0098 -0.0075 148 PRO 38 CG 0.0177 -0.0092 -0.0081 149 PRO 38 CD 0.0156 -0.0080 -0.0095 150 PRO 38 HA 0.0188 -0.0072 -0.0094 151 PRO 38 HB2 0.0168 -0.0112 -0.0068 152 PRO 38 HB3 0.0198 -0.0100 -0.0070 153 PRO 38 HG2 0.0173 -0.0105 -0.0072 154 PRO 38 HG3 0.0193 -0.0083 -0.0084 155 PRO 38 HD2 0.0139 -0.0089 -0.0091 156 PRO 38 HD3 0.0159 -0.0069 -0.0103 157 GLY 39 N 0.0099 -0.0127 -0.0026 158 GLY 39 CA 0.0096 -0.0117 -0.0027 159 GLY 39 C 0.0088 -0.0104 -0.0025 160 GLY 39 O 0.0082 -0.0097 -0.0021 161 GLY 39 H 0.0106 -0.0127 -0.0033 162 GLY 39 HA2 0.0103 -0.0115 -0.0035 163 GLY 39 HA3 0.0093 -0.0122 -0.0022 164 GLY 40 N 0.0059 0.0079 -0.0068 165 GLY 40 CA 0.0063 0.0086 -0.0052 166 GLY 40 C 0.0068 0.0092 -0.0030 167 GLY 40 O 0.0072 0.0101 -0.0016 168 GLY 40 H 0.0055 0.0063 -0.0072 169 GLY 40 HA2 0.0061 0.0073 -0.0049 170 GLY 40 HA3 0.0064 0.0101 -0.0059 171 GLY 41 N 0.0089 0.0005 -0.0052 172 GLY 41 CA 0.0074 0.0002 -0.0035 173 GLY 41 C 0.0071 0.0015 -0.0033 174 GLY 41 O 0.0058 0.0017 -0.0019 175 GLY 41 H 0.0098 -0.0008 -0.0059 176 GLY 41 HA2 0.0074 -0.0016 -0.0031 177 GLY 41 HA3 0.0066 0.0009 -0.0027 178 LEU 42 N -0.0013 0.0041 0.0029 179 LEU 42 CA -0.0008 0.0119 0.0022 180 LEU 42 C 0.0007 0.0061 0.0003 181 LEU 42 O 0.0004 0.0112 0.0007 182 LEU 42 CB 0.0048 0.0201 -0.0053 183 LEU 42 CG 0.0041 0.0268 -0.0044 184 LEU 42 CD1 0.0101 0.0344 -0.0124 185 LEU 42 CD2 -0.0024 0.0336 0.0041 186 LEU 42 H 0.0030 0.0021 -0.0027 187 LEU 42 HA -0.0054 0.0165 0.0083 188 LEU 42 HB2 0.0095 0.0153 -0.0114 189 LEU 42 HB3 0.0051 0.0257 -0.0057 190 LEU 42 HG 0.0041 0.0211 -0.0043 191 LEU 42 HD11 0.0095 0.0392 -0.0117 192 LEU 42 HD12 0.0105 0.0400 -0.0129 193 LEU 42 HD13 0.0147 0.0294 -0.0184 194 LEU 42 HD21 -0.0025 0.0392 0.0042 195 LEU 42 HD22 -0.0027 0.0384 0.0045 196 LEU 42 HD23 -0.0067 0.0280 0.0098 197 HIS 43 N 0.0075 -0.0083 0.0010 198 HIS 43 CA 0.0079 -0.0099 0.0004 199 HIS 43 C 0.0063 -0.0095 -0.0014 200 HIS 43 O 0.0056 -0.0079 -0.0011 201 HIS 43 CB 0.0092 -0.0097 0.0022 202 HIS 43 CG 0.0108 -0.0099 0.0041 203 HIS 43 ND1 0.0123 -0.0119 0.0045 204 HIS 43 CD2 0.0113 -0.0082 0.0059 205 HIS 43 CE1 0.0135 -0.0115 0.0064 206 HIS 43 NE2 0.0129 -0.0092 0.0072 207 HIS 43 H 0.0068 -0.0066 0.0013 208 HIS 43 HA 0.0085 -0.0116 -0.0001 209 HIS 43 HB2 0.0086 -0.0082 0.0025 210 HIS 43 HB3 0.0096 -0.0111 0.0016 211 HIS 43 HD1 0.0124 -0.0134 0.0035 212 HIS 43 HD2 0.0104 -0.0064 0.0061 213 HIS 43 HE1 0.0148 -0.0128 0.0071 214 HIS 43 HE2 0.0135 -0.0085 0.0085 215 ARG 44 N 0.0097 -0.0049 -0.0068 216 ARG 44 CA 0.0084 -0.0064 -0.0062 217 ARG 44 C 0.0080 -0.0079 -0.0060 218 ARG 44 O 0.0081 -0.0075 -0.0061 219 ARG 44 CB 0.0065 -0.0054 -0.0054 220 ARG 44 CG 0.0066 -0.0034 -0.0055 221 ARG 44 CD 0.0047 -0.0025 -0.0047 222 ARG 44 NE 0.0046 -0.0006 -0.0047 223 ARG 44 CZ 0.0030 0.0004 -0.0040 224 ARG 44 NH1 0.0014 -0.0004 -0.0033 225 ARG 44 NH2 0.0031 0.0022 -0.0040 226 ARG 44 H 0.0095 -0.0043 -0.0067 227 ARG 44 HA 0.0088 -0.0070 -0.0064 228 ARG 44 HB2 0.0059 -0.0052 -0.0052 229 ARG 44 HB3 0.0057 -0.0064 -0.0050 230 ARG 44 HG2 0.0070 -0.0037 -0.0057 231 ARG 44 HG3 0.0075 -0.0025 -0.0059 232 ARG 44 HD2 0.0042 -0.0024 -0.0045 233 ARG 44 HD3 0.0038 -0.0035 -0.0043 234 ARG 44 HE 0.0058 0.0000 -0.0052 235 ARG 44 HH11 0.0014 -0.0017 -0.0032 236 ARG 44 HH12 0.0003 0.0003 -0.0028 237 ARG 44 HH21 0.0042 0.0028 -0.0046 238 ARG 44 HH22 0.0019 0.0029 -0.0036 239 CYS 45 N 0.0076 -0.0060 -0.0083 240 CYS 45 CA 0.0084 -0.0043 -0.0079 241 CYS 45 C 0.0109 -0.0045 -0.0088 242 CYS 45 O 0.0122 -0.0041 -0.0092 243 CYS 45 CB 0.0080 -0.0019 -0.0069 244 CYS 45 SG 0.0093 0.0005 -0.0065 245 CYS 45 H 0.0079 -0.0059 -0.0084 246 CYS 45 HA 0.0075 -0.0047 -0.0077 247 CYS 45 HB2 0.0062 -0.0018 -0.0062 248 CYS 45 HB3 0.0085 -0.0016 -0.0070 249 LEU 46 N 0.0101 -0.0011 -0.0113 250 LEU 46 CA 0.0114 -0.0020 -0.0020 251 LEU 46 C 0.0112 -0.0062 0.0014 252 LEU 46 O 0.0112 -0.0115 0.0074 253 LEU 46 CB 0.0137 0.0067 0.0019 254 LEU 46 CG 0.0141 0.0111 -0.0007 255 LEU 46 CD1 0.0163 0.0200 0.0029 256 LEU 46 CD2 0.0135 0.0058 0.0021 257 LEU 46 H 0.0108 0.0047 -0.0140 258 LEU 46 HA 0.0109 -0.0061 -0.0003 259 LEU 46 HB2 0.0141 0.0108 0.0000 260 LEU 46 HB3 0.0146 0.0059 0.0087 261 LEU 46 HG 0.0131 0.0116 -0.0076 262 LEU 46 HD11 0.0166 0.0238 0.0004 263 LEU 46 HD12 0.0165 0.0229 0.0012 264 LEU 46 HD13 0.0173 0.0195 0.0098 265 LEU 46 HD21 0.0119 -0.0002 -0.0011 266 LEU 46 HD22 0.0144 0.0048 0.0090 267 LEU 46 HD23 0.0139 0.0092 0.0003 268 ALA 47 N 0.0082 0.0035 -0.0086 269 ALA 47 CA 0.0112 0.0069 -0.0065 270 ALA 47 C 0.0143 0.0085 -0.0064 271 ALA 47 O 0.0177 0.0110 -0.0055 272 ALA 47 CB 0.0087 0.0092 -0.0026 273 ALA 47 H 0.0050 0.0031 -0.0073 274 ALA 47 HA 0.0133 0.0067 -0.0078 275 ALA 47 HB1 0.0110 0.0116 -0.0012 276 ALA 47 HB2 0.0067 0.0095 -0.0012 277 ALA 47 HB3 0.0066 0.0080 -0.0027 278 CYS 48 N 0.0208 0.0020 -0.0113 279 CYS 48 CA 0.0183 0.0001 -0.0114 280 CYS 48 C 0.0192 -0.0066 -0.0102 281 CYS 48 O 0.0183 -0.0085 -0.0101 282 CYS 48 CB 0.0117 0.0018 -0.0129 283 CYS 48 SG 0.0109 0.0096 -0.0143 284 CYS 48 H 0.0191 0.0003 -0.0113 285 CYS 48 HA 0.0210 0.0026 -0.0113 286 CYS 48 HB2 0.0084 0.0006 -0.0133 287 CYS 48 HB3 0.0101 0.0004 -0.0130 288 ALA 49 N 0.0165 -0.0085 -0.0028 289 ALA 49 CA 0.0166 -0.0144 0.0014 290 ALA 49 C 0.0109 -0.0192 -0.0015 291 ALA 49 O 0.0097 -0.0251 0.0014 292 ALA 49 CB 0.0191 -0.0176 0.0066 293 ALA 49 H 0.0187 -0.0042 -0.0034 294 ALA 49 HA 0.0190 -0.0127 0.0030 295 ALA 49 HB1 0.0167 -0.0192 0.0050 296 ALA 49 HB2 0.0230 -0.0140 0.0085 297 ALA 49 HB3 0.0193 -0.0217 0.0097 298 ARG 50 N 0.0095 -0.0116 -0.0011 299 ARG 50 CA 0.0062 -0.0114 0.0011 300 ARG 50 C 0.0124 -0.0106 0.0054 301 ARG 50 O 0.0197 -0.0106 0.0036 302 ARG 50 CB 0.0032 -0.0125 -0.0062 303 ARG 50 CG -0.0037 -0.0134 -0.0107 304 ARG 50 CD -0.0063 -0.0145 -0.0178 305 ARG 50 NE -0.0128 -0.0154 -0.0223 306 ARG 50 CZ -0.0159 -0.0165 -0.0293 307 ARG 50 NH1 -0.0132 -0.0168 -0.0322 308 ARG 50 NH2 -0.0216 -0.0172 -0.0330 309 ARG 50 H 0.0135 -0.0121 -0.0053 310 ARG 50 HA 0.0012 -0.0110 0.0051 311 ARG 50 HB2 0.0082 -0.0130 -0.0103 312 ARG 50 HB3 0.0011 -0.0123 -0.0042 313 ARG 50 HG2 -0.0087 -0.0130 -0.0067 314 ARG 50 HG3 -0.0017 -0.0136 -0.0128 315 ARG 50 HD2 -0.0012 -0.0149 -0.0217 316 ARG 50 HD3 -0.0084 -0.0143 -0.0157 317 ARG 50 HE -0.0149 -0.0151 -0.0200 318 ARG 50 HH11 -0.0089 -0.0163 -0.0295 319 ARG 50 HH12 -0.0154 -0.0176 -0.0373 320 ARG 50 HH21 -0.0238 -0.0170 -0.0309 321 ARG 50 HH22 -0.0238 -0.0180 -0.0382 322 TYR 51 N 0.0104 -0.0088 -0.0027 323 TYR 51 CA 0.0104 -0.0081 -0.0036 324 TYR 51 C 0.0115 -0.0084 -0.0036 325 TYR 51 O 0.0127 -0.0087 -0.0036 326 TYR 51 CB 0.0105 -0.0073 -0.0047 327 TYR 51 CG 0.0095 -0.0070 -0.0047 328 TYR 51 CD1 0.0097 -0.0074 -0.0044 329 TYR 51 CD2 0.0083 -0.0064 -0.0052 330 TYR 51 CE1 0.0087 -0.0071 -0.0044 331 TYR 51 CE2 0.0073 -0.0062 -0.0052 332 TYR 51 CZ 0.0076 -0.0065 -0.0048 333 TYR 51 OH 0.0066 -0.0063 -0.0048 334 TYR 51 H 0.0111 -0.0088 -0.0029 335 TYR 51 HA 0.0094 -0.0079 -0.0035 336 TYR 51 HB2 0.0115 -0.0075 -0.0048 337 TYR 51 HB3 0.0105 -0.0068 -0.0054 338 TYR 51 HD1 0.0106 -0.0078 -0.0040 339 TYR 51 HD2 0.0081 -0.0062 -0.0054 340 TYR 51 HE1 0.0089 -0.0074 -0.0041 341 TYR 51 HE2 0.0064 -0.0057 -0.0055 342 TYR 51 HH 0.0071 -0.0062 -0.0051 343 PHE 52 N 0.0094 -0.0070 -0.0050 344 PHE 52 CA 0.0088 -0.0066 -0.0030 345 PHE 52 C 0.0078 -0.0077 -0.0036 346 PHE 52 O 0.0067 -0.0091 -0.0049 347 PHE 52 CB 0.0076 -0.0067 -0.0010 348 PHE 52 CG 0.0085 -0.0056 -0.0003 349 PHE 52 CD1 0.0085 -0.0061 -0.0014 350 PHE 52 CD2 0.0093 -0.0042 0.0014 351 PHE 52 CE1 0.0094 -0.0051 -0.0008 352 PHE 52 CE2 0.0102 -0.0032 0.0021 353 PHE 52 CZ 0.0102 -0.0037 0.0010 354 PHE 52 H 0.0084 -0.0080 -0.0055 355 PHE 52 HA 0.0101 -0.0054 -0.0026 356 PHE 52 HB2 0.0063 -0.0079 -0.0015 357 PHE 52 HB3 0.0072 -0.0064 0.0004 358 PHE 52 HD1 0.0079 -0.0072 -0.0028 359 PHE 52 HD2 0.0093 -0.0038 0.0023 360 PHE 52 HE1 0.0094 -0.0055 -0.0017 361 PHE 52 HE2 0.0109 -0.0021 0.0035 362 PHE 52 HZ 0.0109 -0.0029 0.0014 363 ILE 53 N 0.0005 0.0032 -0.0042 364 ILE 53 CA -0.0075 -0.0116 0.0175 365 ILE 53 C 0.0003 -0.0274 0.0241 366 ILE 53 O 0.0025 -0.0456 0.0385 367 ILE 53 CB -0.0310 0.0003 0.0303 368 ILE 53 CG1 -0.0392 0.0153 0.0248 369 ILE 53 CG2 -0.0392 0.0124 0.0274 370 ILE 53 CD1 -0.0622 0.0272 0.0371 371 ILE 53 H -0.0093 0.0184 -0.0082 372 ILE 53 HA -0.0026 -0.0206 0.0208 373 ILE 53 HB -0.0357 -0.0117 0.0460 374 ILE 53 HG12 -0.0340 0.0271 0.0088 375 ILE 53 HG13 -0.0332 0.0059 0.0273 376 ILE 53 HG21 -0.0337 0.0238 0.0115 377 ILE 53 HG22 -0.0341 0.0013 0.0325 378 ILE 53 HG23 -0.0557 0.0208 0.0364 379 ILE 53 HD11 -0.0677 0.0158 0.0531 380 ILE 53 HD12 -0.0666 0.0375 0.0321 381 ILE 53 HD13 -0.0685 0.0366 0.0349 382 ASP 54 N 0.0015 -0.0122 0.0024 383 ASP 54 CA 0.0034 -0.0088 0.0005 384 ASP 54 C 0.0061 -0.0050 -0.0006 385 ASP 54 O 0.0056 -0.0050 -0.0014 386 ASP 54 CB 0.0006 -0.0090 -0.0037 387 ASP 54 CG 0.0023 -0.0057 -0.0057 388 ASP 54 OD1 0.0029 -0.0060 -0.0041 389 ASP 54 OD2 0.0029 -0.0027 -0.0089 390 ASP 54 H 0.0011 -0.0120 0.0015 391 ASP 54 HA 0.0049 -0.0089 0.0030 392 ASP 54 HB2 -0.0014 -0.0118 -0.0028 393 ASP 54 HB3 -0.0009 -0.0088 -0.0062 394 SER 55 N -0.0032 0.0009 -0.0116 395 SER 55 CA -0.0071 0.0079 -0.0028 396 SER 55 C -0.0056 0.0049 -0.0029 397 SER 55 O -0.0062 0.0053 0.0069 398 SER 55 CB -0.0133 0.0207 -0.0061 399 SER 55 OG -0.0173 0.0281 0.0019 400 SER 55 H -0.0048 0.0048 -0.0188 401 SER 55 HA -0.0066 0.0061 0.0067 402 SER 55 HB2 -0.0142 0.0224 -0.0047 403 SER 55 HB3 -0.0137 0.0226 -0.0159 404 SER 55 HG -0.0178 0.0296 -0.0018 405 THR 56 N -0.0063 0.0168 -0.0113 406 THR 56 CA -0.0027 0.0090 -0.0160 407 THR 56 C 0.0042 -0.0133 -0.0007 408 THR 56 O 0.0040 -0.0162 0.0100 409 THR 56 CB 0.0021 0.0050 -0.0433 410 THR 56 OG1 -0.0041 0.0252 -0.0575 411 THR 56 CG2 0.0047 0.0001 -0.0491 412 THR 56 H -0.0048 0.0171 -0.0252 413 THR 56 HA -0.0085 0.0223 -0.0106 414 THR 56 HB 0.0083 -0.0096 -0.0472 415 THR 56 HG1 -0.0033 0.0237 -0.0586 416 THR 56 HG21 0.0082 -0.0028 -0.0684 417 THR 56 HG22 -0.0015 0.0146 -0.0445 418 THR 56 HG23 0.0094 -0.0150 -0.0385 419 ASN 57 N 0.0013 -0.0018 -0.0119 420 ASN 57 CA 0.0045 -0.0138 -0.0042 421 ASN 57 C 0.0038 -0.0107 0.0111 422 ASN 57 O 0.0053 -0.0162 0.0178 423 ASN 57 CB 0.0072 -0.0248 -0.0062 424 ASN 57 CG 0.0092 -0.0331 -0.0195 425 ASN 57 OD1 0.0118 -0.0434 -0.0195 426 ASN 57 ND2 0.0080 -0.0288 -0.0308 427 ASN 57 H 0.0012 -0.0016 -0.0154 428 ASN 57 HA 0.0053 -0.0175 -0.0083 429 ASN 57 HB2 0.0059 -0.0198 -0.0067 430 ASN 57 HB3 0.0090 -0.0314 0.0028 431 ASN 57 HD21 0.0059 -0.0206 -0.0307 432 ASN 57 HD22 0.0092 -0.0341 -0.0394 433 LEU 58 N 0.0012 -0.0052 0.0133 434 LEU 58 CA 0.0009 -0.0049 0.0145 435 LEU 58 C -0.0020 -0.0038 0.0193 436 LEU 58 O -0.0003 -0.0029 0.0225 437 LEU 58 CB -0.0013 -0.0061 0.0102 438 LEU 58 CG -0.0027 -0.0060 0.0108 439 LEU 58 CD1 -0.0077 -0.0057 0.0132 440 LEU 58 CD2 0.0012 -0.0051 0.0135 441 LEU 58 H -0.0006 -0.0060 0.0105 442 LEU 58 HA 0.0046 -0.0045 0.0150 443 LEU 58 HB2 0.0013 -0.0067 0.0073 444 LEU 58 HB3 -0.0046 -0.0066 0.0091 445 LEU 58 HG -0.0032 -0.0069 0.0074 446 LEU 58 HD11 -0.0086 -0.0056 0.0136 447 LEU 58 HD12 -0.0076 -0.0048 0.0167 448 LEU 58 HD13 -0.0105 -0.0064 0.0111 449 LEU 58 HD21 0.0016 -0.0042 0.0170 450 LEU 58 HD22 0.0002 -0.0051 0.0137 451 LEU 58 HD23 0.0047 -0.0054 0.0115 452 LYS 59 N -0.0072 -0.0051 0.0247 453 LYS 59 CA -0.0119 -0.0018 0.0312 454 LYS 59 C -0.0078 -0.0022 0.0367 455 LYS 59 O -0.0087 -0.0002 0.0440 456 LYS 59 CB -0.0200 0.0007 0.0279 457 LYS 59 CG -0.0203 -0.0004 0.0225 458 LYS 59 CD -0.0285 0.0020 0.0191 459 LYS 59 CE -0.0338 0.0056 0.0255 460 LYS 59 NZ -0.0314 0.0055 0.0296 461 LYS 59 H -0.0088 -0.0058 0.0189 462 LYS 59 HA -0.0125 -0.0008 0.0349 463 LYS 59 HB2 -0.0234 0.0031 0.0329 464 LYS 59 HB3 -0.0227 0.0009 0.0245 465 LYS 59 HG2 -0.0167 -0.0029 0.0177 466 LYS 59 HG3 -0.0180 -0.0006 0.0260 467 LYS 59 HD2 -0.0308 0.0023 0.0162 468 LYS 59 HD3 -0.0283 0.0010 0.0147 469 LYS 59 HE2 -0.0339 0.0066 0.0300 470 LYS 59 HE3 -0.0395 0.0072 0.0227 471 LYS 59 HZ1 -0.0317 0.0047 0.0254 472 LYS 59 HZ2 -0.0352 0.0080 0.0339 473 LYS 59 HZ3 -0.0259 0.0040 0.0324 474 THR 60 N -0.0033 -0.0046 0.0416 475 THR 60 CA 0.0013 -0.0036 0.0473 476 THR 60 C 0.0034 -0.0022 0.0468 477 THR 60 O 0.0050 -0.0027 0.0518 478 THR 60 CB 0.0066 -0.0005 0.0477 479 THR 60 OG1 0.0046 -0.0019 0.0483 480 THR 60 CG2 0.0115 0.0006 0.0535 481 THR 60 H -0.0024 -0.0032 0.0384 482 THR 60 HA -0.0008 -0.0060 0.0517 483 THR 60 HB 0.0084 0.0018 0.0430 484 THR 60 HG1 0.0023 -0.0021 0.0441 485 THR 60 HG21 0.0151 0.0028 0.0536 486 THR 60 HG22 0.0096 -0.0018 0.0581 487 THR 60 HG23 0.0131 0.0017 0.0531 488 HIS 61 N -0.0012 -0.0037 0.0335 489 HIS 61 CA -0.0013 0.0007 0.0256 490 HIS 61 C -0.0010 -0.0041 0.0201 491 HIS 61 O -0.0011 -0.0002 0.0154 492 HIS 61 CB -0.0013 0.0027 0.0207 493 HIS 61 CG -0.0013 0.0045 0.0114 494 HIS 61 ND1 -0.0016 0.0117 0.0082 495 HIS 61 CD2 -0.0010 -0.0006 0.0046 496 HIS 61 CE1 -0.0015 0.0109 -0.0001 497 HIS 61 NE2 -0.0011 0.0037 -0.0024 498 HIS 61 H -0.0011 -0.0058 0.0344 499 HIS 61 HA -0.0016 0.0067 0.0275 500 HIS 61 HB2 -0.0016 0.0082 0.0234 501 HIS 61 HB3 -0.0011 -0.0026 0.0213 502 HIS 61 HD1 -0.0019 0.0167 0.0115 503 HIS 61 HD2 -0.0007 -0.0068 0.0046 504 HIS 61 HE1 -0.0016 0.0148 -0.0051 505 PHE 62 N -0.0052 0.0010 0.0197 506 PHE 62 CA -0.0050 -0.0008 0.0175 507 PHE 62 C -0.0048 -0.0013 0.0183 508 PHE 62 O -0.0045 -0.0029 0.0168 509 PHE 62 CB -0.0043 -0.0037 0.0169 510 PHE 62 CG -0.0044 -0.0036 0.0164 511 PHE 62 CD1 -0.0050 -0.0020 0.0142 512 PHE 62 CD2 -0.0038 -0.0052 0.0182 513 PHE 62 CE1 -0.0051 -0.0019 0.0138 514 PHE 62 CE2 -0.0038 -0.0051 0.0178 515 PHE 62 CZ -0.0045 -0.0035 0.0156 516 PHE 62 H -0.0048 0.0001 0.0214 517 PHE 62 HA -0.0055 0.0004 0.0155 518 PHE 62 HB2 -0.0037 -0.0052 0.0186 519 PHE 62 HB3 -0.0043 -0.0045 0.0148 520 PHE 62 HD1 -0.0055 -0.0007 0.0128 521 PHE 62 HD2 -0.0032 -0.0065 0.0199 522 PHE 62 HE1 -0.0056 -0.0006 0.0121 523 PHE 62 HE2 -0.0033 -0.0064 0.0192 524 PHE 62 HZ -0.0045 -0.0034 0.0154 525 ARG 63 N -0.0086 -0.0059 0.0463 526 ARG 63 CA -0.0050 -0.0127 0.0169 527 ARG 63 C -0.0253 -0.0249 0.0023 528 ARG 63 O -0.0262 -0.0321 -0.0225 529 ARG 63 CB -0.0046 -0.0146 0.0097 530 ARG 63 CG 0.0189 -0.0026 0.0191 531 ARG 63 CD 0.0184 -0.0048 0.0119 532 ARG 63 NE 0.0178 -0.0132 -0.0175 533 ARG 63 CZ 0.0215 -0.0152 -0.0300 534 ARG 63 NH1 0.0277 -0.0089 -0.0161 535 ARG 63 NH2 0.0195 -0.0234 -0.0565 536 ARG 63 H -0.0163 -0.0056 0.0585 537 ARG 63 HA 0.0140 -0.0070 0.0101 538 ARG 63 HB2 -0.0224 -0.0190 0.0192 539 ARG 63 HB3 -0.0041 -0.0204 -0.0122 540 ARG 63 HG2 0.0366 0.0017 0.0091 541 ARG 63 HG3 0.0187 0.0034 0.0409 542 ARG 63 HD2 0.0359 0.0040 0.0183 543 ARG 63 HD3 0.0012 -0.0087 0.0226 544 ARG 63 HE 0.0140 -0.0177 -0.0282 545 ARG 63 HH11 0.0298 -0.0025 0.0039 546 ARG 63 HH12 0.0305 -0.0103 -0.0250 547 ARG 63 HH21 0.0152 -0.0282 -0.0675 548 ARG 63 HH22 0.0220 -0.0254 -0.0669 549 SER 64 N -0.0051 -0.0012 0.0037 550 SER 64 CA -0.0068 0.0017 -0.0018 551 SER 64 C -0.0025 -0.0008 -0.0068 552 SER 64 O 0.0003 -0.0029 -0.0075 553 SER 64 CB -0.0092 0.0037 -0.0018 554 SER 64 OG -0.0124 0.0052 0.0036 555 SER 64 H -0.0045 -0.0023 0.0060 556 SER 64 HA -0.0092 0.0039 -0.0024 557 SER 64 HB2 -0.0065 0.0016 -0.0021 558 SER 64 HB3 -0.0110 0.0063 -0.0055 559 SER 64 HG -0.0151 0.0075 0.0035 560 LYS 65 N 0.0010 -0.0030 -0.0262 561 LYS 65 CA -0.0054 0.0014 -0.0184 562 LYS 65 C 0.0009 0.0012 -0.0137 563 LYS 65 O -0.0044 0.0034 -0.0116 564 LYS 65 CB -0.0101 0.0059 -0.0091 565 LYS 65 CG -0.0015 0.0057 -0.0023 566 LYS 65 CD 0.0078 0.0054 0.0049 567 LYS 65 CE 0.0159 0.0052 0.0113 568 LYS 65 NZ 0.0254 0.0047 0.0179 569 LYS 65 H 0.0030 -0.0030 -0.0246 570 LYS 65 HA -0.0126 0.0018 -0.0236 571 LYS 65 HB2 -0.0137 0.0089 -0.0031 572 LYS 65 HB3 -0.0169 0.0066 -0.0129 573 LYS 65 HG2 -0.0061 0.0089 0.0032 574 LYS 65 HG3 0.0024 0.0026 -0.0081 575 LYS 65 HD2 0.0125 0.0023 -0.0004 576 LYS 65 HD3 0.0037 0.0086 0.0108 577 LYS 65 HE2 0.0112 0.0085 0.0171 578 LYS 65 HE3 0.0193 0.0023 0.0054 579 LYS 65 HZ1 0.0224 0.0075 0.0237 580 LYS 65 HZ2 0.0303 0.0015 0.0126 581 LYS 65 HZ3 0.0306 0.0046 0.0223 582 ASP 66 N -0.0045 0.0046 -0.0157 583 ASP 66 CA -0.0030 0.0044 -0.0142 584 ASP 66 C -0.0024 0.0036 -0.0144 585 ASP 66 O -0.0016 0.0039 -0.0132 586 ASP 66 CB -0.0018 0.0033 -0.0139 587 ASP 66 CG -0.0002 0.0034 -0.0123 588 ASP 66 OD1 -0.0000 0.0045 -0.0111 589 ASP 66 OD2 0.0009 0.0022 -0.0121 590 ASP 66 H -0.0046 0.0038 -0.0164 591 ASP 66 HA -0.0031 0.0057 -0.0133 592 ASP 66 HB2 -0.0023 0.0038 -0.0140 593 ASP 66 HB3 -0.0016 0.0020 -0.0148 594 HIS 67 N -0.0001 0.0030 -0.0075 595 HIS 67 CA 0.0001 0.0029 -0.0070 596 HIS 67 C 0.0012 0.0018 -0.0072 597 HIS 67 O 0.0013 0.0017 -0.0079 598 HIS 67 CB -0.0001 0.0032 -0.0053 599 HIS 67 CG -0.0000 0.0032 -0.0046 600 HIS 67 ND1 -0.0004 0.0034 -0.0053 601 HIS 67 CD2 0.0001 0.0032 -0.0032 602 HIS 67 CE1 -0.0006 0.0037 -0.0044 603 HIS 67 NE2 -0.0003 0.0036 -0.0031 604 HIS 67 H -0.0002 0.0032 -0.0068 605 HIS 67 HA -0.0005 0.0034 -0.0075 606 HIS 67 HB2 -0.0009 0.0039 -0.0050 607 HIS 67 HB3 0.0005 0.0027 -0.0047 608 HIS 67 HD1 -0.0005 0.0035 -0.0064 609 HIS 67 HD2 0.0005 0.0028 -0.0025 610 HIS 67 HE1 -0.0008 0.0040 -0.0046 611 LYS 68 N -0.0038 -0.0004 -0.0052 612 LYS 68 CA -0.0020 -0.0012 -0.0052 613 LYS 68 C -0.0029 -0.0034 -0.0077 614 LYS 68 O -0.0027 -0.0038 -0.0080 615 LYS 68 CB 0.0014 -0.0018 -0.0043 616 LYS 68 CG 0.0022 0.0003 -0.0019 617 LYS 68 CD 0.0056 -0.0004 -0.0011 618 LYS 68 CE 0.0063 -0.0026 -0.0029 619 LYS 68 NZ 0.0096 -0.0032 -0.0021 620 LYS 68 H -0.0028 -0.0007 -0.0051 621 LYS 68 HA -0.0025 0.0003 -0.0040 622 LYS 68 HB2 0.0019 -0.0034 -0.0056 623 LYS 68 HB3 0.0028 -0.0023 -0.0041 624 LYS 68 HG2 0.0015 0.0020 -0.0006 625 LYS 68 HG3 0.0009 0.0008 -0.0021 626 LYS 68 HD2 0.0070 -0.0010 -0.0011 627 LYS 68 HD3 0.0062 0.0011 0.0006 628 LYS 68 HE2 0.0048 -0.0020 -0.0030 629 LYS 68 HE3 0.0059 -0.0041 -0.0046 630 LYS 68 HZ1 0.0111 -0.0037 -0.0019 631 LYS 68 HZ2 0.0100 -0.0046 -0.0033 632 LYS 68 HZ3 0.0100 -0.0017 -0.0005 633 LYS 69 N -0.0032 0.0060 -0.0044 634 LYS 69 CA -0.0026 0.0068 -0.0040 635 LYS 69 C -0.0019 0.0061 -0.0024 636 LYS 69 O -0.0009 0.0070 -0.0016 637 LYS 69 CB -0.0033 0.0064 -0.0049 638 LYS 69 CG -0.0029 0.0066 -0.0044 639 LYS 69 CD -0.0037 0.0060 -0.0053 640 LYS 69 CE -0.0035 0.0060 -0.0049 641 LYS 69 NZ -0.0044 0.0053 -0.0059 642 LYS 69 H -0.0039 0.0055 -0.0052 643 LYS 69 HA -0.0021 0.0080 -0.0042 644 LYS 69 HB2 -0.0036 0.0071 -0.0060 645 LYS 69 HB3 -0.0039 0.0052 -0.0049 646 LYS 69 HG2 -0.0025 0.0060 -0.0033 647 LYS 69 HG3 -0.0023 0.0078 -0.0044 648 LYS 69 HD2 -0.0041 0.0067 -0.0064 649 LYS 69 HD3 -0.0043 0.0048 -0.0053 650 LYS 69 HE2 -0.0031 0.0054 -0.0038 651 LYS 69 HE3 -0.0030 0.0072 -0.0050 652 LYS 69 HZ1 -0.0043 0.0053 -0.0057 653 LYS 69 HZ2 -0.0049 0.0042 -0.0058 654 LYS 69 HZ3 -0.0048 0.0059 -0.0070 655 ARG 70 N -0.0067 0.0086 -0.0070 656 ARG 70 CA -0.0030 0.0055 -0.0016 657 ARG 70 C -0.0075 0.0107 -0.0036 658 ARG 70 O -0.0072 0.0122 0.0032 659 ARG 70 CB 0.0037 -0.0042 -0.0053 660 ARG 70 CG 0.0081 -0.0081 0.0010 661 ARG 70 CD 0.0100 -0.0072 0.0129 662 ARG 70 NE 0.0140 -0.0106 0.0192 663 ARG 70 CZ 0.0139 -0.0076 0.0294 664 ARG 70 NH1 0.0100 -0.0010 0.0346 665 ARG 70 NH2 0.0178 -0.0112 0.0345 666 ARG 70 H -0.0051 0.0049 -0.0132 667 ARG 70 HA -0.0019 0.0064 0.0069 668 ARG 70 HB2 0.0065 -0.0077 -0.0050 669 ARG 70 HB3 0.0023 -0.0047 -0.0136 670 ARG 70 HG2 0.0128 -0.0149 -0.0020 671 ARG 70 HG3 0.0054 -0.0049 -0.0001 672 ARG 70 HD2 0.0053 -0.0004 0.0158 673 ARG 70 HD3 0.0129 -0.0105 0.0140 674 ARG 70 HE 0.0170 -0.0154 0.0155 675 ARG 70 HH11 0.0069 0.0019 0.0312 676 ARG 70 HH12 0.0098 0.0014 0.0422 677 ARG 70 HH21 0.0209 -0.0161 0.0307 678 ARG 70 HH22 0.0180 -0.0092 0.0421 679 LEU 71 N -0.0049 0.0057 0.0002 680 LEU 71 CA -0.0051 0.0059 0.0001 681 LEU 71 C -0.0055 0.0050 -0.0001 682 LEU 71 O -0.0061 0.0051 -0.0005 683 LEU 71 CB -0.0043 0.0063 0.0006 684 LEU 71 CG -0.0038 0.0072 0.0009 685 LEU 71 CD1 -0.0030 0.0075 0.0014 686 LEU 71 CD2 -0.0044 0.0081 0.0005 687 LEU 71 H -0.0043 0.0057 0.0006 688 LEU 71 HA -0.0056 0.0066 -0.0002 689 LEU 71 HB2 -0.0038 0.0056 0.0009 690 LEU 71 HB3 -0.0044 0.0064 0.0005 691 LEU 71 HG -0.0035 0.0070 0.0010 692 LEU 71 HD11 -0.0032 0.0077 0.0012 693 LEU 71 HD12 -0.0025 0.0068 0.0017 694 LEU 71 HD13 -0.0026 0.0082 0.0016 695 LEU 71 HD21 -0.0049 0.0080 0.0002 696 LEU 71 HD22 -0.0046 0.0083 0.0003 697 LEU 71 HD23 -0.0040 0.0088 0.0007 698 LYS 72 N -0.0080 0.0147 -0.0033 699 LYS 72 CA -0.0113 0.0067 -0.0043 700 LYS 72 C -0.0189 0.0051 -0.0088 701 LYS 72 O -0.0240 0.0021 -0.0116 702 LYS 72 CB -0.0065 -0.0005 -0.0003 703 LYS 72 CG -0.0093 -0.0092 -0.0009 704 LYS 72 CD -0.0040 -0.0158 0.0033 705 LYS 72 CE -0.0067 -0.0245 0.0028 706 LYS 72 NZ -0.0015 -0.0310 0.0069 707 LYS 72 H -0.0035 0.0148 -0.0005 708 LYS 72 HA -0.0116 0.0070 -0.0045 709 LYS 72 HB2 -0.0011 0.0009 0.0029 710 LYS 72 HB3 -0.0061 -0.0007 -0.0000 711 LYS 72 HG2 -0.0144 -0.0109 -0.0038 712 LYS 72 HG3 -0.0100 -0.0091 -0.0013 713 LYS 72 HD2 0.0012 -0.0141 0.0063 714 LYS 72 HD3 -0.0033 -0.0160 0.0038 715 LYS 72 HE2 -0.0118 -0.0264 -0.0001 716 LYS 72 HE3 -0.0076 -0.0242 0.0022 717 LYS 72 HZ1 -0.0005 -0.0315 0.0076 718 LYS 72 HZ2 0.0035 -0.0294 0.0098 719 LYS 72 HZ3 -0.0035 -0.0369 0.0065 720 GLN 73 N -0.0158 0.0063 -0.0026 721 GLN 73 CA -0.0119 0.0073 -0.0021 722 GLN 73 C -0.0112 0.0061 -0.0121 723 GLN 73 O -0.0134 0.0054 -0.0132 724 GLN 73 CB -0.0022 0.0105 0.0024 725 GLN 73 CG -0.0022 0.0119 0.0127 726 GLN 73 CD 0.0077 0.0151 0.0167 727 GLN 73 OE1 0.0147 0.0162 0.0113 728 GLN 73 NE2 0.0082 0.0165 0.0260 729 GLN 73 H -0.0117 0.0075 -0.0013 730 GLN 73 HA -0.0167 0.0068 0.0025 731 GLN 73 HB2 0.0025 0.0111 -0.0021 732 GLN 73 HB3 0.0006 0.0112 0.0025 733 GLN 73 HG2 -0.0065 0.0115 0.0173 734 GLN 73 HG3 -0.0052 0.0112 0.0127 735 GLN 73 HE21 0.0023 0.0155 0.0298 736 GLN 73 HE22 0.0144 0.0186 0.0291 737 LEU 74 N -0.0208 -0.0000 -0.0102 738 LEU 74 CA -0.0261 0.0078 -0.0108 739 LEU 74 C -0.0252 0.0089 -0.0102 740 LEU 74 O -0.0304 0.0140 -0.0113 741 LEU 74 CB -0.0240 0.0165 -0.0082 742 LEU 74 CG -0.0296 0.0253 -0.0088 743 LEU 74 CD1 -0.0391 0.0241 -0.0129 744 LEU 74 CD2 -0.0265 0.0332 -0.0060 745 LEU 74 H -0.0154 0.0010 -0.0078 746 LEU 74 HA -0.0328 0.0066 -0.0137 747 LEU 74 HB2 -0.0240 0.0151 -0.0085 748 LEU 74 HB3 -0.0175 0.0174 -0.0054 749 LEU 74 HG -0.0292 0.0270 -0.0083 750 LEU 74 HD11 -0.0429 0.0304 -0.0131 751 LEU 74 HD12 -0.0397 0.0222 -0.0135 752 LEU 74 HD13 -0.0414 0.0187 -0.0148 753 LEU 74 HD21 -0.0269 0.0317 -0.0064 754 LEU 74 HD22 -0.0305 0.0394 -0.0064 755 LEU 74 HD23 -0.0199 0.0342 -0.0031 756 SER 75 N 0.0028 0.0073 -0.0136 757 SER 75 CA 0.0314 0.0002 -0.0019 758 SER 75 C 0.0177 -0.0311 0.0262 759 SER 75 O 0.0420 -0.0451 0.0438 760 SER 75 CB 0.0772 0.0036 0.0026 761 SER 75 OG 0.1057 -0.0013 0.0121 762 SER 75 H -0.0173 0.0213 -0.0306 763 SER 75 HA 0.0285 0.0164 -0.0181 764 SER 75 HB2 0.0850 0.0260 -0.0178 765 SER 75 HB3 0.0798 -0.0125 0.0186 766 SER 75 HG 0.1286 0.0144 0.0008 767 VAL 76 N -0.0034 -0.0010 0.0071 768 VAL 76 CA -0.0033 0.0000 0.0122 769 VAL 76 C -0.0007 -0.0043 0.0162 770 VAL 76 O 0.0007 -0.0068 0.0176 771 VAL 76 CB -0.0055 0.0051 0.0153 772 VAL 76 CG1 -0.0054 0.0061 0.0206 773 VAL 76 CG2 -0.0082 0.0095 0.0115 774 VAL 76 H -0.0047 0.0013 0.0063 775 VAL 76 HA -0.0036 0.0003 0.0109 776 VAL 76 HB -0.0052 0.0048 0.0165 777 VAL 76 HG11 -0.0069 0.0097 0.0227 778 VAL 76 HG12 -0.0056 0.0063 0.0195 779 VAL 76 HG13 -0.0035 0.0030 0.0234 780 VAL 76 HG21 -0.0097 0.0130 0.0137 781 VAL 76 HG22 -0.0083 0.0088 0.0078 782 VAL 76 HG23 -0.0085 0.0098 0.0102 783 GLU 77 N -0.0103 -0.0017 0.0037 784 GLU 77 CA -0.0093 -0.0022 0.0041 785 GLU 77 C -0.0089 -0.0038 0.0040 786 GLU 77 O -0.0083 -0.0042 0.0043 787 GLU 77 CB -0.0082 -0.0013 0.0049 788 GLU 77 CG -0.0078 -0.0011 0.0052 789 GLU 77 CD -0.0067 -0.0002 0.0060 790 GLU 77 OE1 -0.0068 0.0011 0.0062 791 GLU 77 OE2 -0.0056 -0.0009 0.0064 792 GLU 77 H -0.0104 -0.0020 0.0036 793 GLU 77 HA -0.0095 -0.0022 0.0040 794 GLU 77 HB2 -0.0073 -0.0019 0.0053 795 GLU 77 HB3 -0.0084 -0.0003 0.0050 796 GLU 77 HG2 -0.0086 -0.0005 0.0049 797 GLU 77 HG3 -0.0076 -0.0021 0.0051 798 PRO 78 N -0.0121 -0.0063 0.0051 799 PRO 78 CA -0.0134 -0.0011 0.0051 800 PRO 78 C -0.0183 -0.0005 0.0031 801 PRO 78 O -0.0195 -0.0026 0.0025 802 PRO 78 CB -0.0101 0.0009 0.0066 803 PRO 78 CG -0.0063 -0.0030 0.0077 804 PRO 78 CD -0.0085 -0.0078 0.0065 805 PRO 78 HA -0.0130 0.0008 0.0054 806 PRO 78 HB2 -0.0119 0.0014 0.0059 807 PRO 78 HB3 -0.0088 0.0043 0.0074 808 PRO 78 HG2 -0.0049 -0.0030 0.0083 809 PRO 78 HG3 -0.0037 -0.0023 0.0089 810 PRO 78 HD2 -0.0100 -0.0093 0.0058 811 PRO 78 HD3 -0.0061 -0.0103 0.0073 812 TYR 79 N -0.0146 -0.0046 -0.0065 813 TYR 79 CA -0.0141 -0.0040 -0.0089 814 TYR 79 C -0.0194 -0.0065 -0.0036 815 TYR 79 O -0.0168 -0.0073 0.0031 816 TYR 79 CB -0.0054 -0.0016 -0.0091 817 TYR 79 CG -0.0005 0.0011 -0.0153 818 TYR 79 CD1 0.0039 0.0019 -0.0133 819 TYR 79 CD2 -0.0003 0.0029 -0.0233 820 TYR 79 CE1 0.0083 0.0043 -0.0189 821 TYR 79 CE2 0.0040 0.0053 -0.0290 822 TYR 79 CZ 0.0084 0.0060 -0.0268 823 TYR 79 OH 0.0128 0.0084 -0.0326 824 TYR 79 H -0.0174 -0.0045 -0.0103 825 TYR 79 HA -0.0170 -0.0034 -0.0150 826 TYR 79 HB2 -0.0024 -0.0020 -0.0031 827 TYR 79 HB3 -0.0057 -0.0013 -0.0106 828 TYR 79 HD1 0.0039 0.0005 -0.0071 829 TYR 79 HD2 -0.0037 0.0023 -0.0250 830 TYR 79 HE1 0.0117 0.0048 -0.0172 831 TYR 79 HE2 0.0041 0.0066 -0.0352 832 TYR 79 HH 0.0091 0.0085 -0.0374 833 SER 80 N -0.0072 -0.0030 -0.0063 834 SER 80 CA -0.0056 -0.0017 -0.0070 835 SER 80 C -0.0023 -0.0020 -0.0080 836 SER 80 O -0.0013 -0.0029 -0.0083 837 SER 80 CB -0.0065 -0.0033 -0.0065 838 SER 80 OG -0.0052 -0.0019 -0.0071 839 SER 80 H -0.0073 -0.0053 -0.0061 840 SER 80 HA -0.0062 0.0008 -0.0070 841 SER 80 HB2 -0.0089 -0.0032 -0.0058 842 SER 80 HB3 -0.0058 -0.0057 -0.0066 843 SER 80 HG -0.0064 -0.0001 -0.0068 844 GLN 81 N 0.0105 0.0007 -0.0098 845 GLN 81 CA 0.0105 0.0008 -0.0069 846 GLN 81 C 0.0098 0.0014 -0.0092 847 GLN 81 O 0.0082 0.0028 -0.0125 848 GLN 81 CB 0.0082 0.0031 -0.0035 849 GLN 81 CG 0.0084 0.0029 0.0000 850 GLN 81 CD 0.0060 0.0053 0.0033 851 GLN 81 OE1 0.0034 0.0077 0.0023 852 GLN 81 NE2 0.0068 0.0047 0.0070 853 GLN 81 H 0.0089 0.0022 -0.0099 854 GLN 81 HA 0.0128 -0.0013 -0.0054 855 GLN 81 HB2 0.0084 0.0028 -0.0021 856 GLN 81 HB3 0.0059 0.0052 -0.0049 857 GLN 81 HG2 0.0083 0.0030 -0.0013 858 GLN 81 HG3 0.0106 0.0009 0.0016 859 GLN 81 HE21 0.0089 0.0027 0.0075 860 GLN 81 HE22 0.0052 0.0062 0.0092 861 GLU 82 N 0.0185 -0.0006 -0.0100 862 GLU 82 CA 0.0211 -0.0058 -0.0056 863 GLU 82 C 0.0144 -0.0067 -0.0000 864 GLU 82 O 0.0151 -0.0107 0.0042 865 GLU 82 CB 0.0271 -0.0111 -0.0031 866 GLU 82 CG 0.0304 -0.0167 0.0013 867 GLU 82 CD 0.0363 -0.0215 0.0031 868 GLU 82 OE1 0.0345 -0.0240 0.0073 869 GLU 82 OE2 0.0431 -0.0228 0.0003 870 GLU 82 H 0.0183 0.0030 -0.0141 871 GLU 82 HA 0.0236 -0.0047 -0.0085 872 GLU 82 HB2 0.0317 -0.0101 -0.0074 873 GLU 82 HB3 0.0246 -0.0119 -0.0006 874 GLU 82 HG2 0.0259 -0.0180 0.0057 875 GLU 82 HG3 0.0328 -0.0159 -0.0012 876 GLU 83 N 0.0027 -0.0051 -0.0082 877 GLU 83 CA -0.0013 -0.0094 -0.0081 878 GLU 83 C -0.0041 -0.0109 -0.0097 879 GLU 83 O -0.0051 -0.0144 -0.0071 880 GLU 83 CB -0.0037 -0.0091 -0.0110 881 GLU 83 CG -0.0079 -0.0134 -0.0112 882 GLU 83 CD -0.0098 -0.0130 -0.0137 883 GLU 83 OE1 -0.0117 -0.0109 -0.0179 884 GLU 83 OE2 -0.0094 -0.0148 -0.0114 885 GLU 83 H 0.0025 -0.0026 -0.0109 886 GLU 83 HA -0.0004 -0.0118 -0.0046 887 GLU 83 HB2 -0.0015 -0.0081 -0.0097 888 GLU 83 HB3 -0.0044 -0.0064 -0.0145 889 GLU 83 HG2 -0.0102 -0.0141 -0.0130 890 GLU 83 HG3 -0.0073 -0.0161 -0.0078 891 ALA 84 N -0.0140 -0.0064 -0.0068 892 ALA 84 CA -0.0273 -0.0062 -0.0161 893 ALA 84 C -0.0235 -0.0038 -0.0258 894 ALA 84 O -0.0309 -0.0025 -0.0373 895 ALA 84 CB -0.0328 -0.0051 -0.0255 896 ALA 84 H -0.0062 -0.0045 -0.0114 897 ALA 84 HA -0.0361 -0.0089 -0.0086 898 ALA 84 HB1 -0.0424 -0.0049 -0.0325 899 ALA 84 HB2 -0.0238 -0.0025 -0.0326 900 ALA 84 HB3 -0.0363 -0.0070 -0.0182 901 GLU 85 N -0.0012 -0.0033 -0.0160 902 GLU 85 CA 0.0018 -0.0017 -0.0169 903 GLU 85 C 0.0051 -0.0032 -0.0147 904 GLU 85 O 0.0069 -0.0030 -0.0146 905 GLU 85 CB 0.0025 0.0012 -0.0196 906 GLU 85 CG 0.0050 0.0032 -0.0210 907 GLU 85 CD 0.0091 0.0029 -0.0198 908 GLU 85 OE1 0.0111 0.0040 -0.0205 909 GLU 85 OE2 0.0104 0.0015 -0.0182 910 GLU 85 H -0.0005 -0.0048 -0.0144 911 GLU 85 HA 0.0011 -0.0016 -0.0171 912 GLU 85 HB2 -0.0001 0.0019 -0.0209 913 GLU 85 HB3 0.0037 0.0011 -0.0192 914 GLU 85 HG2 0.0040 0.0026 -0.0207 915 GLU 85 HG3 0.0046 0.0052 -0.0231 916 ARG 86 N -0.0029 -0.0048 -0.0024 917 ARG 86 CA -0.0075 0.0003 -0.0038 918 ARG 86 C -0.0103 -0.0003 0.0032 919 ARG 86 O -0.0071 -0.0055 0.0076 920 ARG 86 CB -0.0047 0.0015 -0.0122 921 ARG 86 CG 0.0024 -0.0044 -0.0140 922 ARG 86 CD 0.0033 -0.0081 -0.0081 923 ARG 86 NE 0.0101 -0.0139 -0.0098 924 ARG 86 CZ 0.0126 -0.0187 -0.0049 925 ARG 86 NH1 0.0088 -0.0183 0.0020 926 ARG 86 NH2 0.0190 -0.0238 -0.0069 927 ARG 86 H 0.0009 -0.0092 -0.0010 928 ARG 86 HA -0.0115 0.0044 -0.0044 929 ARG 86 HB2 -0.0077 0.0045 -0.0123 930 ARG 86 HB3 -0.0048 0.0040 -0.0170 931 ARG 86 HG2 0.0039 -0.0030 -0.0201 932 ARG 86 HG3 0.0055 -0.0075 -0.0138 933 ARG 86 HD2 0.0014 -0.0092 -0.0020 934 ARG 86 HD3 0.0006 -0.0051 -0.0089 935 ARG 86 HE 0.0130 -0.0142 -0.0149 936 ARG 86 HH11 0.0040 -0.0145 0.0039 937 ARG 86 HH12 0.0107 -0.0218 0.0057 938 ARG 86 HH21 0.0220 -0.0243 -0.0121 939 ARG 86 HH22 0.0211 -0.0276 -0.0034 940 ALA 87 N -0.0097 0.0041 -0.0067 941 ALA 87 CA -0.0386 0.0041 -0.0050 942 ALA 87 C -0.0556 0.0348 0.0297 943 ALA 87 O -0.0613 0.0462 0.0426 944 ALA 87 CB -0.0130 -0.0039 -0.0153 945 ALA 87 H 0.0196 0.0132 0.0018 946 ALA 87 HA -0.0651 -0.0118 -0.0210 947 ALA 87 HB1 0.0141 0.0117 0.0004 948 ALA 87 HB2 -0.0010 -0.0256 -0.0399 949 ALA 87 HB3 -0.0340 -0.0032 -0.0134 950 ALA 88 N -0.0199 0.0074 -0.0493 951 ALA 88 CA -0.0354 0.0090 0.0094 952 ALA 88 C -0.1059 0.0482 0.0074 953 ALA 88 O -0.1500 0.0681 0.0443 954 ALA 88 CB -0.0211 -0.0078 0.0838 955 ALA 88 H -0.0500 0.0249 -0.0562 956 ALA 88 HA -0.0052 -0.0066 0.0002 957 ALA 88 HB1 -0.0516 0.0078 0.0941 958 ALA 88 HB2 0.0296 -0.0358 0.0836 959 ALA 88 HB3 -0.0321 -0.0069 0.1266 960 GLY 89 N 0.0742 0.0125 -0.0241 961 GLY 89 CA 0.0548 0.0178 -0.0248 962 GLY 89 C 0.0618 0.0184 -0.0320 963 GLY 89 O 0.0751 0.0114 -0.0213 964 GLY 89 H 0.0887 0.0114 -0.0320 965 GLY 89 HA2 0.0461 0.0146 -0.0084 966 GLY 89 HA3 0.0436 0.0246 -0.0364 967 MET 90 N -0.0009 0.0081 0.0044 968 MET 90 CA -0.0005 0.0082 0.0044 969 MET 90 C -0.0002 0.0079 0.0043 970 MET 90 O -0.0001 0.0076 0.0042 971 MET 90 CB -0.0003 0.0083 0.0043 972 MET 90 CG 0.0002 0.0084 0.0043 973 MET 90 SD 0.0006 0.0081 0.0042 974 MET 90 CE 0.0010 0.0084 0.0041 975 MET 90 H -0.0011 0.0084 0.0045 976 MET 90 HA -0.0004 0.0085 0.0044 977 MET 90 HB2 -0.0005 0.0085 0.0044 978 MET 90 HB3 -0.0003 0.0080 0.0043 979 MET 90 HG2 0.0002 0.0087 0.0043 980 MET 90 HG3 0.0002 0.0085 0.0043 981 MET 90 HE1 0.0010 0.0087 0.0042 982 MET 90 HE2 0.0013 0.0082 0.0041 983 MET 90 HE3 0.0010 0.0084 0.0041 984 GLY 91 N -0.0040 0.0006 0.0108 985 GLY 91 CA -0.0002 0.0019 0.0049 986 GLY 91 C 0.0024 -0.0004 0.0102 987 GLY 91 O 0.0105 -0.0022 0.0108 988 GLY 91 H -0.0002 -0.0018 0.0155 989 GLY 91 HA2 -0.0052 0.0046 0.0003 990 GLY 91 HA3 0.0060 0.0020 0.0014 991 SER 92 N 0.0037 0.0031 -0.0001 992 SER 92 CA 0.0039 0.0045 -0.0025 993 SER 92 C 0.0038 0.0041 -0.0055 994 SER 92 O 0.0035 0.0016 -0.0066 995 SER 92 CB 0.0037 0.0032 -0.0025 996 SER 92 OG 0.0037 0.0036 0.0004 997 SER 92 H 0.0034 0.0009 -0.0002 998 SER 92 HA 0.0042 0.0069 -0.0019 999 SER 92 HB2 0.0034 0.0009 -0.0030 1000 SER 92 HB3 0.0039 0.0044 -0.0042 1001 SER 92 HG 0.0038 0.0043 0.0018 1002 TYR 93 N -0.0020 0.0017 -0.0064 1003 TYR 93 CA -0.0009 0.0010 -0.0052 1004 TYR 93 C -0.0004 0.0013 -0.0051 1005 TYR 93 O -0.0012 0.0018 -0.0059 1006 TYR 93 CB -0.0016 -0.0008 -0.0045 1007 TYR 93 CG -0.0005 -0.0017 -0.0032 1008 TYR 93 CD1 0.0002 -0.0020 -0.0026 1009 TYR 93 CD2 -0.0002 -0.0023 -0.0026 1010 TYR 93 CE1 0.0012 -0.0029 -0.0014 1011 TYR 93 CE2 0.0008 -0.0032 -0.0015 1012 TYR 93 CZ 0.0015 -0.0035 -0.0009 1013 TYR 93 OH 0.0025 -0.0043 0.0003 1014 TYR 93 H -0.0030 0.0014 -0.0067 1015 TYR 93 HA 0.0001 0.0013 -0.0049 1016 TYR 93 HB2 -0.0022 -0.0010 -0.0047 1017 TYR 93 HB3 -0.0025 -0.0011 -0.0048 1018 TYR 93 HD1 -0.0000 -0.0015 -0.0031 1019 TYR 93 HD2 -0.0008 -0.0021 -0.0031 1020 TYR 93 HE1 0.0018 -0.0031 -0.0010 1021 TYR 93 HE2 0.0010 -0.0037 -0.0010 1022 TYR 93 HH 0.0032 -0.0039 0.0004 1023 VAL 94 N -0.0130 -0.0060 0.0017 1024 VAL 94 CA -0.0086 -0.0028 0.0012 1025 VAL 94 C -0.0081 -0.0019 0.0012 1026 VAL 94 O -0.0071 -0.0054 0.0003 1027 VAL 94 CB -0.0037 -0.0046 -0.0004 1028 VAL 94 CG1 -0.0026 -0.0100 -0.0016 1029 VAL 94 CG2 0.0007 -0.0010 -0.0008 1030 VAL 94 H -0.0125 -0.0092 0.0010 1031 VAL 94 HA -0.0094 0.0009 0.0020 1032 VAL 94 HB -0.0042 -0.0047 -0.0002 1033 VAL 94 HG11 0.0007 -0.0111 -0.0026 1034 VAL 94 HG12 -0.0023 -0.0101 -0.0017 1035 VAL 94 HG13 -0.0057 -0.0125 -0.0013 1036 VAL 94 HG21 0.0011 -0.0008 -0.0009 1037 VAL 94 HG22 0.0040 -0.0024 -0.0019 1038 VAL 94 HG23 -0.0000 0.0026 -0.0000